#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1l n THR 5 N 0.00 0.11 -3.99 0.00 -1.04 -1.26 -5.04 114.28 103.06 3a1l n THR 5 Ca 0.00 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.05 61.69 3a1l n THR 5 Cb 0.00 -1.38 -0.05 0.00 -1.82 0.00 0.00 70.33 67.09 3a1l n THR 5 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3a1l s LEU 6 N -5.95 4.11 0.78 -4.42 2.01 -1.26 -5.12 118.68 108.83 3a1l s LEU 6 Ca -0.03 0.10 -0.12 0.00 0.01 0.00 0.00 54.13 54.10 3a1l s LEU 6 Cb 0.01 -2.72 0.06 0.00 0.01 0.00 0.00 46.19 43.55 3a1l s LEU 6 CO 0.04 0.13 1.12 -2.16 1.01 0.00 0.00 176.35 176.48 3a1l s PRO 7 N -2.74 2.19 0.04 1.29 0.04 -1.26 -5.00 135.00 129.56 3a1l s PRO 7 Ca 0.33 0.41 -0.38 0.00 0.04 0.00 0.00 61.00 61.39 3a1l s PRO 7 Cb -0.12 -1.95 -0.19 0.00 0.04 0.00 0.00 34.50 32.28 3a1l s PRO 7 CO 0.26 -1.49 1.15 -2.13 0.04 0.00 0.00 177.00 174.82 3a1l n ARG 8 N -3.31 0.41 -4.31 4.56 0.63 -1.26 -4.94 116.66 108.44 3a1l n ARG 8 Ca 0.07 0.15 -0.35 0.00 -0.92 0.00 0.00 57.85 56.80 3a1l n ARG 8 Cb 0.58 -1.68 -0.09 0.00 0.45 0.00 0.00 32.46 31.72 3a1l n ARG 8 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 3a1l s PHE 9 N 0.13 3.22 0.25 -0.14 2.19 -1.26 -5.09 117.98 117.27 3a1l s PHE 9 Ca 0.88 0.24 -0.20 0.00 0.33 0.00 0.00 56.93 58.17 3a1l s PHE 9 Cb -1.14 -1.81 0.07 0.00 -1.31 0.00 0.00 43.02 38.83 3a1l s PHE 9 CO 0.53 0.50 0.97 0.16 1.83 0.00 0.00 175.22 179.22 3a1l s ASP 10 N -0.90 0.02 -0.14 6.13 -4.77 -1.26 -4.76 116.67 110.98 3a1l s ASP 10 Ca 0.13 -0.84 0.16 0.00 -3.30 0.00 0.00 52.55 48.71 3a1l s ASP 10 Cb -0.11 0.61 0.42 0.00 -1.09 0.00 0.00 42.92 42.74 3a1l s ASP 10 CO 0.02 -1.21 1.31 0.18 0.70 0.00 0.00 175.17 176.17 3a1l n LEU 11 N -0.67 3.26 -4.59 2.11 4.32 -1.26 -5.02 117.00 115.15 3a1l n LEU 11 Ca -0.04 -2.91 -0.34 0.00 -0.02 0.00 0.00 56.01 52.69 3a1l n LEU 11 Cb 0.59 -0.46 -0.10 0.00 -1.62 0.00 0.00 43.42 41.83 3a1l n LEU 11 CO 0.23 0.68 -0.28 -0.32 -1.22 0.00 0.00 177.39 176.48 3a1l s MET 12 N -2.61 3.86 -0.14 3.23 1.75 -1.26 -4.64 119.30 119.49 3a1l s MET 12 Ca 0.36 -0.40 -0.01 0.00 -1.25 0.00 0.00 55.69 54.39 3a1l s MET 12 Cb 0.29 -3.11 0.00 0.00 2.84 0.00 0.00 34.83 34.85 3a1l s MET 12 CO 0.07 0.28 0.12 0.41 -0.65 0.00 0.00 175.02 175.25 3a1l n GLY 13 N 3.49 0.80 3.83 2.11 0.00 -1.26 -5.03 105.19 109.13 3a1l n GLY 13 Ca -0.17 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 3a1l n GLY 13 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a1l s TRP 14 N -3.02 3.36 0.43 1.61 0.52 -1.26 -5.02 118.94 115.55 3a1l s TRP 14 Ca 0.06 1.44 -0.22 0.00 0.02 0.00 0.00 56.10 57.39 3a1l s TRP 14 Cb -0.03 -2.72 -0.09 0.00 -1.15 0.00 0.00 33.47 29.48 3a1l s TRP 14 CO 0.07 -0.08 1.03 0.16 0.02 0.00 0.00 176.95 178.15 3a1l s ASP 15 N -2.37 6.64 0.29 2.95 1.47 -1.26 -4.89 116.67 119.50 3a1l s ASP 15 Ca 0.59 1.94 0.01 0.00 1.18 0.00 0.00 52.55 56.26 3a1l s ASP 15 Cb -0.10 -2.57 0.69 0.00 -0.34 0.00 0.00 42.92 40.61 3a1l s ASP 15 CO 0.18 -0.57 1.62 0.50 0.68 0.00 0.00 175.17 177.58 3a1l h LYS 16 N 2.07 0.12 0.00 2.11 1.63 -1.99 -0.58 116.57 119.94 3a1l h LYS 16 Ca -0.49 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.28 3a1l h LYS 16 Cb 1.21 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.81 3a1l h LYS 16 CO 0.61 0.08 -0.11 -0.22 -3.45 0.00 0.00 179.45 176.37 3a1l h LYS 17 N 0.13 0.00 0.00 1.90 3.11 -1.99 -2.66 116.57 117.05 3a1l h LYS 17 Ca 0.55 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.39 3a1l h LYS 17 Cb 1.11 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.34 3a1l h LYS 17 CO -0.73 0.11 -1.12 -0.25 -2.81 0.00 0.00 179.45 174.65 3a1l n ASP 18 N -3.23 0.65 -0.04 4.20 8.00 -0.27 -3.18 116.55 122.69 3a1l n ASP 18 Ca 0.01 0.14 -0.14 0.00 0.71 0.00 0.00 54.79 55.50 3a1l n ASP 18 Cb 0.38 0.72 -0.08 0.00 -0.02 0.00 0.00 41.12 42.12 3a1l n ASP 18 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3a1l h ILE 19 N 0.00 1.39 0.00 0.53 2.04 -1.26 -0.68 117.51 119.52 3a1l h ILE 19 Ca 0.00 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.32 3a1l h ILE 19 Cb 0.91 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 3a1l h ILE 19 CO 0.00 0.45 0.00 0.00 0.00 0.00 0.00 178.15 178.60 3a1l h ALA 20 N 0.52 1.00 -0.63 1.87 0.00 -1.57 -3.34 119.26 117.10 3a1l h ALA 20 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 3a1l h ALA 20 Cb 0.84 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.45 3a1l h ALA 20 CO 0.05 0.00 -0.58 -3.47 0.00 0.00 0.00 179.25 175.26 3a1l n ASP 21 N -2.75 -2.66 0.05 0.00 2.03 -1.15 -4.99 116.55 107.09 3a1l n ASP 21 Ca -0.00 -3.08 0.13 0.00 0.52 0.00 0.00 54.79 52.36 3a1l n ASP 21 Cb 0.19 1.45 0.51 0.00 -0.72 0.00 0.00 41.12 42.55 3a1l n ASP 21 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3a1l n PRO 22 N 2.10 0.13 -0.08 -0.67 -0.04 -0.27 -4.11 135.00 132.05 3a1l n PRO 22 Ca 0.14 0.12 0.18 0.00 -0.04 0.00 0.00 63.50 63.91 3a1l n PRO 22 Cb 0.59 -1.66 0.61 0.00 -0.04 0.00 0.00 33.50 33.00 3a1l n PRO 22 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3a1l h TYR 23 N 0.00 0.22 0.00 0.54 0.05 -1.94 0.13 116.97 115.97 3a1l h TYR 23 Ca 0.00 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.69 3a1l h TYR 23 Cb 0.61 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3a1l h TYR 23 CO 0.00 0.08 -0.46 -1.35 -1.05 0.00 0.00 178.16 175.38 3a1l h PRO 24 N 0.19 0.00 0.07 4.88 0.11 -1.97 -1.11 132.00 134.17 3a1l h PRO 24 Ca 0.31 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.42 3a1l h PRO 24 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3a1l h PRO 24 CO -0.06 0.46 -0.03 0.28 -0.21 0.00 0.00 178.00 178.44 3a1l h VAL 25 N 0.00 1.14 -0.74 3.15 2.07 -1.05 -2.18 116.25 118.64 3a1l h VAL 25 Ca -0.00 -0.72 0.08 0.00 0.82 0.00 0.00 66.70 66.88 3a1l h VAL 25 Cb 0.83 1.60 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 3a1l h VAL 25 CO 0.06 0.18 0.49 1.88 0.02 0.00 0.00 177.57 180.20 3a1l h TYR 26 N -0.41 0.73 -0.07 1.57 0.05 -1.27 -2.56 116.97 115.02 3a1l h TYR 26 Ca -0.01 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 3a1l h TYR 26 Cb 0.36 -0.24 -0.00 0.00 1.01 0.00 0.00 36.73 37.86 3a1l h TYR 26 CO 0.03 0.36 0.02 -0.09 -1.05 0.00 0.00 178.16 177.44 3a1l h ARG 27 N 0.70 0.12 0.93 4.88 2.43 -0.92 -0.43 114.38 122.09 3a1l h ARG 27 Ca 0.33 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 3a1l h ARG 27 Cb 0.38 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3a1l h ARG 27 CO -0.12 0.30 -0.49 0.00 -1.51 0.00 0.00 179.97 178.15 3a1l h ARG 28 N -0.09 -1.26 -0.57 0.20 3.08 -1.01 -0.99 114.38 113.74 3a1l h ARG 28 Ca 0.02 0.09 0.11 0.00 0.07 0.00 0.00 59.98 60.27 3a1l h ARG 28 Cb 0.24 0.29 -0.09 0.00 0.08 0.00 0.00 29.97 30.48 3a1l h ARG 28 CO -0.00 -0.84 0.06 1.88 -1.07 0.00 0.00 179.97 180.00 3a1l h TYR 29 N -1.31 0.07 -0.82 3.04 -1.99 -1.54 -0.36 116.97 114.07 3a1l h TYR 29 Ca -0.13 0.04 0.07 0.00 2.00 0.00 0.00 58.73 60.71 3a1l h TYR 29 Cb 1.02 0.06 -0.05 0.00 2.00 0.00 0.00 36.73 39.75 3a1l h TYR 29 CO -0.04 -0.09 0.54 -0.09 -0.00 0.00 0.00 178.16 178.47 3a1l h ARG 30 N 0.18 0.86 0.00 4.88 2.43 -0.93 -0.55 114.38 121.25 3a1l h ARG 30 Ca 0.30 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.34 3a1l h ARG 30 Cb 0.46 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 3a1l h ARG 30 CO -0.44 0.57 -0.37 0.93 -1.51 0.00 0.00 179.97 179.15 3a1l h GLU 31 N 0.89 0.00 0.00 0.20 5.08 0.32 -3.26 114.58 117.81 3a1l h GLU 31 Ca 0.35 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.66 3a1l h GLU 31 Cb 0.24 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3a1l h GLU 31 CO -0.13 0.37 -0.31 0.00 -1.00 0.00 0.00 179.01 177.95 3a1l h ALA 32 N 1.63 0.06 -2.53 3.43 0.00 -0.71 -3.48 119.26 117.66 3a1l h ALA 32 Ca -0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 54.91 54.16 3a1l h ALA 32 Cb 0.82 0.19 -0.21 0.00 0.00 0.00 0.00 17.79 18.58 3a1l h ALA 32 CO 0.05 0.18 -0.21 0.00 0.00 0.00 0.00 179.25 179.26 3a1l s ALA 33 N -2.29 -0.96 -0.17 0.00 0.00 -0.31 -5.04 121.76 113.00 3a1l s ALA 33 Ca -0.20 0.68 0.26 0.00 0.00 0.00 0.00 51.96 52.71 3a1l s ALA 33 Cb -0.01 -0.16 0.76 0.00 0.00 0.00 0.00 23.12 23.71 3a1l s ALA 33 CO 0.61 -0.25 1.76 -1.00 0.00 0.00 0.00 175.76 176.88 3a1l h PRO 34 N 4.27 0.00 -4.66 0.00 0.13 -1.81 -3.32 132.00 126.61 3a1l h PRO 34 Ca -0.28 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.51 3a1l h PRO 34 Cb 1.17 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.05 3a1l h PRO 34 CO 0.35 0.06 -0.76 0.08 -0.23 0.00 0.00 178.00 177.50 3a1l s VAL 35 N -3.40 0.64 -0.11 1.56 1.01 -1.26 -1.22 120.40 117.61 3a1l s VAL 35 Ca 0.04 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 3a1l s VAL 35 Cb 0.07 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.88 3a1l s VAL 35 CO 0.63 -0.08 0.01 -1.00 0.00 0.00 0.00 175.10 174.65 3a1l s HIS 36 N -0.75 0.81 0.17 5.22 3.76 -0.57 -4.95 115.29 118.97 3a1l s HIS 36 Ca -0.02 -0.42 -0.26 0.00 -0.15 0.00 0.00 55.06 54.21 3a1l s HIS 36 Cb -0.06 -0.89 -0.08 0.00 1.11 0.00 0.00 32.58 32.66 3a1l s HIS 36 CO 0.00 -0.43 0.80 0.50 -0.85 0.00 0.00 174.74 174.76 3a1l s ARG 37 N 1.93 4.60 -0.34 1.40 3.52 -1.26 -1.33 118.95 127.47 3a1l s ARG 37 Ca 0.03 1.20 -0.01 0.00 -0.13 0.00 0.00 55.73 56.82 3a1l s ARG 37 Cb -0.14 -3.27 0.12 0.00 -1.56 0.00 0.00 34.95 30.10 3a1l s ARG 37 CO -0.06 0.54 0.16 0.99 -0.81 0.00 0.00 175.30 176.13 3a1l s THR 38 N -1.07 0.53 1.20 4.11 2.01 0.62 -4.78 115.64 118.26 3a1l s THR 38 Ca 0.37 -1.55 -0.17 0.00 0.31 0.00 0.00 61.69 60.65 3a1l s THR 38 Cb -0.23 -1.40 0.23 0.00 0.01 0.00 0.00 72.50 71.11 3a1l s THR 38 CO 0.27 -0.82 0.53 0.00 -0.69 0.00 0.00 174.62 173.91 3a1l n ALA 39 N 4.47 -3.53 -0.94 7.40 0.00 -1.26 -1.46 120.51 125.18 3a1l n ALA 39 Ca 0.03 -1.38 0.00 0.00 0.00 0.00 0.00 53.44 52.09 3a1l n ALA 39 Cb 0.39 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3a1l n ALA 39 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3a1l n SER 40 N -3.48 0.00 0.00 0.00 7.64 -1.26 -4.77 113.62 111.75 3a1l n SER 40 Ca 0.04 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.16 3a1l n SER 40 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 3a1l n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3a1l n GLY 41 N 0.00 0.38 3.52 0.23 0.00 -1.26 -4.89 105.19 103.17 3a1l n GLY 41 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3a1l n GLY 41 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a1l s PRO 42 N -1.07 3.49 -0.24 1.61 0.02 -1.26 -4.14 135.00 133.41 3a1l s PRO 42 Ca 0.00 -1.10 -0.01 0.00 0.02 0.00 0.00 61.00 59.91 3a1l s PRO 42 Cb 0.00 -4.97 0.00 0.00 0.02 0.00 0.00 34.50 29.55 3a1l s PRO 42 CO 0.00 -2.07 0.13 0.41 -0.33 0.00 0.00 177.00 175.14 3a1l n GLY 43 N 6.20 0.57 3.32 0.52 0.00 -1.26 -5.05 105.19 109.48 3a1l n GLY 43 Ca 0.23 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 3a1l n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a1l s LYS 44 N -4.88 1.34 0.03 1.61 2.47 -1.26 -5.13 119.74 113.92 3a1l s LYS 44 Ca 0.06 -1.69 -0.17 0.00 -1.56 0.00 0.00 55.97 52.61 3a1l s LYS 44 Cb -0.03 -0.46 -0.06 0.00 -1.46 0.00 0.00 37.83 35.82 3a1l s LYS 44 CO 0.08 -0.17 0.50 -2.14 0.16 0.00 0.00 175.35 173.78 3a1l s PRO 45 N -3.93 4.10 0.63 4.03 0.02 -1.26 -4.73 135.00 133.86 3a1l s PRO 45 Ca 0.31 0.59 -0.11 0.00 0.02 0.00 0.00 61.00 61.81 3a1l s PRO 45 Cb 0.07 -3.25 -0.03 0.00 0.02 0.00 0.00 34.50 31.31 3a1l s PRO 45 CO 0.10 0.63 1.03 0.16 -0.33 0.00 0.00 177.00 178.59 3a1l s ASP 46 N -0.97 6.07 -0.07 2.53 3.84 -1.26 -4.44 116.67 122.37 3a1l s ASP 46 Ca 0.27 1.47 0.04 0.00 -0.00 0.00 0.00 52.55 54.33 3a1l s ASP 46 Cb -0.18 -2.48 -0.02 0.00 -1.38 0.00 0.00 42.92 38.87 3a1l s ASP 46 CO 0.16 -0.97 -0.19 -0.89 -0.00 0.00 0.00 175.17 173.27 3a1l s THR 47 N -3.11 2.55 -0.21 2.11 2.01 -0.54 -2.46 115.64 116.00 3a1l s THR 47 Ca 0.56 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.62 3a1l s THR 47 Cb -0.12 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.39 3a1l s THR 47 CO 0.53 0.57 0.00 -0.31 -0.69 0.00 0.00 174.62 174.71 3a1l s TYR 48 N -0.22 3.03 -0.21 4.92 1.51 0.23 -0.28 117.35 126.32 3a1l s TYR 48 Ca -0.01 -0.55 -0.12 0.00 -1.01 0.00 0.00 57.07 55.39 3a1l s TYR 48 Cb -0.13 -2.11 -0.05 0.00 -0.11 0.00 0.00 41.96 39.56 3a1l s TYR 48 CO 0.03 -0.32 0.21 0.71 -1.11 0.00 0.00 175.55 175.08 3a1l s TYR 49 N 1.17 3.37 -0.20 2.71 2.02 -0.44 -0.14 117.35 125.83 3a1l s TYR 49 Ca 0.03 0.37 -0.08 0.00 -0.37 0.00 0.00 57.07 57.02 3a1l s TYR 49 Cb -0.14 -2.30 -0.04 0.00 -0.40 0.00 0.00 41.96 39.07 3a1l s TYR 49 CO 0.01 0.13 0.09 0.08 -1.57 0.00 0.00 175.55 174.29 3a1l s VAL 50 N 0.85 4.87 -0.02 0.71 1.01 0.27 -1.51 120.40 126.59 3a1l s VAL 50 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 61.98 62.19 3a1l s VAL 50 Cb -0.13 -3.23 -0.15 0.00 0.00 0.00 0.00 36.38 32.88 3a1l s VAL 50 CO 0.03 0.42 0.20 0.49 0.00 0.00 0.00 175.10 176.24 3a1l n PHE 51 N 3.89 0.00 -3.16 5.22 3.01 -0.36 -1.91 117.46 124.15 3a1l n PHE 51 Ca -0.16 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.04 3a1l n PHE 51 Cb 0.52 -0.24 -0.01 0.00 -0.01 0.00 0.00 39.48 39.74 3a1l n PHE 51 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3a1l s THR 52 N -2.64 5.03 0.09 4.37 -4.23 -1.25 -3.41 115.64 113.59 3a1l s THR 52 Ca -0.04 -0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 60.13 3a1l s THR 52 Cb 0.06 -3.83 -0.08 0.00 1.34 0.00 0.00 72.50 69.99 3a1l s THR 52 CO 0.40 -0.58 1.56 0.22 -0.54 0.00 0.00 174.62 175.67 3a1l h TYR 53 N 0.83 0.46 -0.34 3.99 3.20 -1.89 -1.66 116.97 121.55 3a1l h TYR 53 Ca -0.48 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.32 3a1l h TYR 53 Cb 1.21 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 3a1l h TYR 53 CO 0.55 0.55 0.22 -0.44 -1.64 0.00 0.00 178.16 177.40 3a1l h ASP 54 N 0.23 0.40 0.13 -2.11 3.32 -1.95 -1.19 116.42 115.25 3a1l h ASP 54 Ca 0.08 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 3a1l h ASP 54 Cb 0.34 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3a1l h ASP 54 CO 0.01 0.30 -0.39 0.44 -1.72 0.00 0.00 179.24 177.88 3a1l h ASP 55 N 0.46 0.36 -0.49 6.45 3.32 -1.96 -2.03 116.42 122.52 3a1l h ASP 55 Ca 0.13 -0.15 -0.10 0.00 0.02 0.00 0.00 57.03 56.92 3a1l h ASP 55 Cb -0.04 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3a1l h ASP 55 CO -0.03 0.72 -0.08 0.58 -1.72 0.00 0.00 179.24 178.71 3a1l h VAL 56 N 0.29 1.26 -0.62 -1.35 2.07 -1.00 -1.20 116.25 115.70 3a1l h VAL 56 Ca 0.03 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 3a1l h VAL 56 Cb 0.81 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 3a1l h VAL 56 CO 0.06 0.43 0.22 0.58 0.02 0.00 0.00 177.57 178.88 3a1l h VAL 57 N 0.86 1.24 -0.52 2.57 2.07 -0.97 -2.40 116.25 119.10 3a1l h VAL 57 Ca 0.14 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3a1l h VAL 57 Cb 0.62 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 3a1l h VAL 57 CO 0.04 0.30 0.24 0.03 0.02 0.00 0.00 177.57 178.20 3a1l h ARG 58 N 0.87 0.76 -0.77 1.57 3.08 -1.09 -2.01 114.38 116.79 3a1l h ARG 58 Ca 0.20 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3a1l h ARG 58 Cb 0.24 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 3a1l h ARG 58 CO -0.01 0.65 0.41 0.28 -1.07 0.00 0.00 179.97 180.22 3a1l h VAL 59 N 0.70 1.23 -0.08 2.04 2.07 -1.03 -0.57 116.25 120.61 3a1l h VAL 59 Ca 0.18 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3a1l h VAL 59 Cb 0.15 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3a1l h VAL 59 CO -0.02 0.26 0.00 0.18 0.02 0.00 0.00 177.57 178.01 3a1l n LEU 60 N -4.35 1.85 -0.13 2.57 4.32 -0.92 -4.03 117.00 116.32 3a1l n LEU 60 Ca 0.08 -0.68 -0.18 0.00 -0.02 0.00 0.00 56.01 55.21 3a1l n LEU 60 Cb 0.11 -0.05 -0.11 0.00 -1.62 0.00 0.00 43.42 41.75 3a1l n LEU 60 CO 0.38 0.34 -1.33 -0.24 -1.22 0.00 0.00 177.39 175.32 3a1l n SER 61 N 0.44 2.03 -4.68 -1.43 2.88 -0.77 -3.85 113.62 108.25 3a1l n SER 61 Ca 0.18 -0.10 -0.50 0.00 -1.33 0.00 0.00 58.87 57.11 3a1l n SER 61 Cb 0.39 -0.42 -0.05 0.00 -0.75 0.00 0.00 64.21 63.37 3a1l n SER 61 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3a1l n ASN 62 N -3.30 2.95 -0.03 -3.46 2.85 -0.28 -4.83 115.26 109.16 3a1l n ASN 62 Ca -0.45 1.03 0.00 0.00 -0.11 0.00 0.00 54.58 55.05 3a1l n ASN 62 Cb 0.97 -1.31 0.00 0.00 1.24 0.00 0.00 39.78 40.68 3a1l n ASN 62 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 3a1l n ARG 63 N 5.30 0.64 0.00 1.20 0.00 -1.26 -2.53 116.66 120.01 3a1l n ARG 63 Ca 0.22 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 58.12 3a1l n ARG 63 Cb 0.25 -1.02 -0.04 0.00 -0.00 0.00 0.00 32.46 31.65 3a1l n ARG 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3a1l n ARG 64 N -0.46 2.94 -3.74 2.89 1.74 -1.26 -4.87 116.66 113.90 3a1l n ARG 64 Ca 0.00 -0.26 -0.38 0.00 -0.77 0.00 0.00 57.85 56.44 3a1l n ARG 64 Cb 0.01 -1.04 -0.12 0.00 -1.02 0.00 0.00 32.46 30.29 3a1l n ARG 64 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a1l s LEU 65 N -2.16 3.97 0.00 0.55 1.02 -1.05 -2.00 118.68 119.01 3a1l s LEU 65 Ca 0.06 -0.75 0.02 0.00 0.02 0.00 0.00 54.13 53.48 3a1l s LEU 65 Cb 0.08 -1.90 0.02 0.00 0.02 0.00 0.00 46.19 44.41 3a1l s LEU 65 CO 0.37 -0.22 0.16 0.61 0.02 0.00 0.00 176.35 177.29 3a1l n GLY 66 N 4.88 2.23 0.50 -3.19 0.00 0.61 -4.70 105.19 105.53 3a1l n GLY 66 Ca -0.14 -2.17 0.07 0.00 0.00 0.00 0.00 46.02 43.78 3a1l n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a1l n ARG 67 N -1.15 1.19 -3.67 1.61 5.12 -1.26 0.67 116.66 119.16 3a1l n ARG 67 Ca 0.03 -1.18 -0.39 0.00 -1.93 0.00 0.00 57.85 54.37 3a1l n ARG 67 Cb 0.14 -1.25 -0.11 0.00 -1.16 0.00 0.00 32.46 30.08 3a1l n ARG 67 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3a1l s ASN 68 N -1.30 5.48 0.47 0.55 3.84 -1.26 -4.88 114.94 117.84 3a1l s ASN 68 Ca 0.15 -1.61 0.14 0.00 0.21 0.00 0.00 52.86 51.75 3a1l s ASN 68 Cb 0.12 -1.93 1.11 0.00 -0.55 0.00 0.00 41.25 40.00 3a1l s ASN 68 CO 0.22 -0.52 2.08 0.00 -2.79 0.00 0.00 177.10 176.09 3a1l h ALA 69 N 8.29 1.95 0.00 1.71 0.00 -1.79 -0.82 119.26 128.61 3a1l h ALA 69 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3a1l h ALA 69 Cb 1.07 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3a1l h ALA 69 CO 0.73 0.00 0.00 -0.09 0.00 0.00 0.00 179.25 179.89 3a1l h ARG 70 N 0.25 0.00 0.05 0.00 2.43 -1.80 -1.28 114.38 114.03 3a1l h ARG 70 Ca 0.12 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.96 3a1l h ARG 70 Cb 0.16 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 3a1l h ARG 70 CO -0.02 0.00 -1.89 0.28 -1.51 0.00 0.00 179.97 176.83 3a1l n VAL 71 N -2.42 1.66 0.22 0.20 0.31 -0.44 -3.77 118.33 114.09 3a1l n VAL 71 Ca 0.05 -0.74 -0.14 0.00 -0.01 0.00 0.00 64.34 63.50 3a1l n VAL 71 Cb 0.42 -1.29 -0.08 0.00 -0.91 0.00 0.00 33.84 31.98 3a1l n VAL 71 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3a1l h ALA 72 N 0.60 -0.57 0.00 3.52 0.00 -0.96 -3.26 119.26 118.60 3a1l h ALA 72 Ca -0.37 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3a1l h ALA 72 Cb 2.03 0.22 0.00 0.00 0.00 0.00 0.00 17.79 20.04 3a1l h ALA 72 CO 0.07 -0.68 0.00 -1.13 0.00 0.00 0.00 179.25 177.51 3a1l n SER 73 N -5.23 0.46 0.00 0.00 3.41 -0.50 -4.18 113.62 107.57 3a1l n SER 73 Ca -0.10 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 3a1l n SER 73 Cb 0.29 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 3a1l n SER 73 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3a1l n GLY 74 N 0.07 0.77 2.02 5.00 0.00 -1.23 -4.91 105.19 106.90 3a1l n GLY 74 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 3a1l n GLY 74 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3a1l n ASP 75 N 0.00 -0.26 0.00 1.61 -0.08 -1.26 -5.03 116.55 111.53 3a1l n ASP 75 Ca 0.00 -1.18 0.00 0.00 -1.51 0.00 0.00 54.79 52.10 3a1l n ASP 75 Cb 0.00 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 42.92 3a1l n ASP 75 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 3a1l n THR 76 N -3.13 0.00 1.03 5.18 -1.04 -1.26 -4.76 114.28 110.29 3a1l n THR 76 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3a1l n THR 76 Cb 0.31 0.38 0.02 0.00 -1.82 0.00 0.00 70.33 69.22 3a1l n THR 76 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3a1l n ASP 77 N 0.00 1.12 -4.37 8.00 8.00 -1.26 -4.72 116.55 123.31 3a1l n ASP 77 Ca 0.00 -2.04 -0.33 0.00 0.71 0.00 0.00 54.79 53.12 3a1l n ASP 77 Cb 0.00 -0.45 -0.14 0.00 -0.02 0.00 0.00 41.12 40.51 3a1l n ASP 77 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3a1l s THR 78 N -1.21 3.23 0.28 -3.53 -1.32 -1.26 -5.11 115.64 106.73 3a1l s THR 78 Ca 0.03 -0.58 -0.29 0.00 -1.21 0.00 0.00 61.69 59.63 3a1l s THR 78 Cb 0.02 -2.39 -0.10 0.00 -1.51 0.00 0.00 72.50 68.52 3a1l s THR 78 CO 0.01 0.50 1.41 0.00 -2.21 0.00 0.00 174.62 174.33 3a1l s ALA 79 N 0.62 3.59 0.28 11.08 0.00 -1.26 -4.53 121.76 131.54 3a1l s ALA 79 Ca -0.06 1.34 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 3a1l s ALA 79 Cb -0.15 -3.54 0.38 0.00 0.00 0.00 0.00 23.12 19.81 3a1l s ALA 79 CO 0.03 -0.75 1.87 -1.35 0.00 0.00 0.00 175.76 175.56 3a1l h PRO 80 N 4.40 0.98 -6.49 0.00 0.11 -1.95 -3.34 132.00 125.70 3a1l h PRO 80 Ca -0.47 -0.14 -0.64 0.00 0.11 0.00 0.00 66.00 64.86 3a1l h PRO 80 Cb 1.22 -0.18 -0.15 0.00 0.11 0.00 0.00 31.00 32.00 3a1l h PRO 80 CO 0.73 0.77 -0.74 0.14 -0.21 0.00 0.00 178.00 178.69 3a1l s VAL 81 N -5.53 3.05 0.00 3.15 -7.23 -1.26 -3.55 120.40 109.03 3a1l s VAL 81 Ca -0.11 -1.69 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 3a1l s VAL 81 Cb 0.16 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 3a1l s VAL 81 CO 0.80 -0.09 1.29 -0.81 -0.31 0.00 0.00 175.10 175.99 3a1l n PRO 82 N 0.15 0.63 -4.75 4.82 -0.04 -1.26 -4.78 135.00 129.77 3a1l n PRO 82 Ca -0.11 -0.14 -0.33 0.00 -0.04 0.00 0.00 63.50 62.87 3a1l n PRO 82 Cb 0.55 -1.40 -0.14 0.00 -0.04 0.00 0.00 33.50 32.48 3a1l n PRO 82 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3a1l s ILE 83 N 1.31 3.20 0.09 0.52 1.10 -1.26 -4.91 121.20 121.25 3a1l s ILE 83 Ca 0.10 -0.63 -0.31 0.00 -0.51 0.00 0.00 60.65 59.30 3a1l s ILE 83 Cb 0.05 -2.33 -0.10 0.00 0.15 0.00 0.00 42.46 40.23 3a1l s ILE 83 CO 0.00 0.54 1.84 -2.84 -2.11 0.00 0.00 174.94 172.38 3a1l s PRO 84 N 0.01 4.14 0.32 3.50 0.02 -1.26 -4.85 135.00 136.88 3a1l s PRO 84 Ca -0.03 2.56 0.10 0.00 0.02 0.00 0.00 61.00 63.65 3a1l s PRO 84 Cb -0.14 -3.76 0.95 0.00 0.02 0.00 0.00 34.50 31.57 3a1l s PRO 84 CO 0.04 -0.86 1.68 1.15 -0.33 0.00 0.00 177.00 178.68 3a1l h THR 85 N 4.98 0.38 -0.04 0.99 2.02 -1.98 -0.69 112.91 118.56 3a1l h THR 85 Ca -0.46 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 66.60 3a1l h THR 85 Cb 1.22 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3a1l h THR 85 CO 0.94 0.07 0.31 1.05 0.37 0.00 0.00 175.52 178.26 3a1l h GLU 86 N 0.38 0.00 -4.41 6.66 4.11 -2.06 -3.35 114.58 115.90 3a1l h GLU 86 Ca 0.67 0.00 -0.73 0.00 0.07 0.00 0.00 59.36 59.37 3a1l h GLU 86 Cb 1.42 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.45 3a1l h GLU 86 CO -0.57 0.00 -0.40 -1.01 0.07 0.00 0.00 179.01 177.10 3a1l s HIS 87 N -4.16 3.25 -0.07 2.06 3.76 -0.27 -4.98 115.29 114.88 3a1l s HIS 87 Ca -0.04 -0.87 -0.00 0.00 -0.15 0.00 0.00 55.06 54.01 3a1l s HIS 87 Cb 0.10 -2.87 -0.00 0.00 1.11 0.00 0.00 32.58 30.92 3a1l s HIS 87 CO 0.32 -0.71 -0.01 0.00 -0.85 0.00 0.00 174.74 173.49 3a1l h ARG 88 N 8.65 0.00 -0.16 1.40 -0.00 -1.84 -3.04 114.38 119.39 3a1l h ARG 88 Ca -0.27 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.24 3a1l h ARG 88 Cb 1.11 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 31.02 3a1l h ARG 88 CO 0.79 0.00 -0.53 0.00 0.00 0.00 0.00 179.97 180.23 3a1l h ALA 89 N -1.29 -0.88 -0.76 0.04 0.00 -1.93 0.94 119.26 115.37 3a1l h ALA 89 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3a1l h ALA 89 Cb 0.01 1.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.71 3a1l h ALA 89 CO 0.00 -1.08 -0.55 1.25 0.00 0.00 0.00 179.25 178.88 3a1l h LEU 90 N -0.55 -1.94 -2.04 0.00 5.85 -1.81 -0.35 115.31 114.47 3a1l h LEU 90 Ca 0.03 0.29 0.09 0.00 0.84 0.00 0.00 57.88 59.13 3a1l h LEU 90 Cb 0.66 0.85 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 3a1l h LEU 90 CO -0.44 -0.30 0.23 -0.09 -0.34 0.00 0.00 178.44 177.49 3a1l h ARG 91 N -0.16 0.00 0.00 1.25 9.65 -1.20 -1.57 114.38 122.35 3a1l h ARG 91 Ca 0.15 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 59.00 3a1l h ARG 91 Cb 0.50 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.08 3a1l h ARG 91 CO -0.80 0.00 -0.42 1.15 2.80 0.00 0.00 179.97 182.69 3a1l h THR 92 N 0.00 0.14 0.01 0.20 2.02 0.87 -2.92 112.91 113.23 3a1l h THR 92 Ca 0.14 -1.21 -0.28 0.00 0.77 0.00 0.00 66.41 65.83 3a1l h THR 92 Cb 0.59 1.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.88 3a1l h THR 92 CO -0.00 0.08 -1.55 0.58 0.37 0.00 0.00 175.52 174.99 3a1l h VAL 93 N 0.00 1.04 0.03 3.16 2.07 -0.63 -3.29 116.25 118.63 3a1l h VAL 93 Ca -0.01 -2.85 -0.24 0.00 0.82 0.00 0.00 66.70 64.42 3a1l h VAL 93 Cb 1.08 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 33.36 3a1l h VAL 93 CO 0.01 0.62 -1.16 0.58 0.02 0.00 0.00 177.57 177.64 3a1l h VAL 94 N 0.01 1.54 0.00 2.57 2.07 -1.40 -3.14 116.25 117.90 3a1l h VAL 94 Ca -0.23 -3.24 -0.04 0.00 0.82 0.00 0.00 66.70 64.01 3a1l h VAL 94 Cb 1.96 2.81 -0.01 0.00 -1.52 0.00 0.00 31.29 34.54 3a1l h VAL 94 CO 0.09 0.90 -0.19 -0.33 0.02 0.00 0.00 177.57 178.06 3a1l h GLU 95 N 0.02 0.00 -0.72 1.57 5.08 -1.66 -2.62 114.58 116.25 3a1l h GLU 95 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3a1l h GLU 95 Cb 1.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.10 3a1l h GLU 95 CO 0.14 0.19 0.00 0.09 -1.00 0.00 0.00 179.01 178.43 3a1l n ASN 96 N -3.90 3.29 -4.69 1.42 3.02 -1.19 -4.87 115.26 108.35 3a1l n ASN 96 Ca -0.02 -2.41 -0.38 0.00 -0.03 0.00 0.00 54.58 51.74 3a1l n ASN 96 Cb 0.28 -0.54 -0.07 0.00 -0.61 0.00 0.00 39.78 38.84 3a1l n ASN 96 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3a1l s TRP 97 N -1.86 3.42 0.30 3.10 0.52 -0.99 -3.76 118.94 119.67 3a1l s TRP 97 Ca 0.29 0.74 0.05 0.00 0.02 0.00 0.00 56.10 57.20 3a1l s TRP 97 Cb 0.21 -2.55 0.80 0.00 -1.15 0.00 0.00 33.47 30.78 3a1l s TRP 97 CO 0.10 0.05 1.67 1.25 0.02 0.00 0.00 176.95 180.04 3a1l h LEU 98 N 7.33 0.25 -1.62 2.99 5.85 -1.90 -0.64 115.31 127.57 3a1l h LEU 98 Ca -0.38 0.18 0.14 0.00 0.84 0.00 0.00 57.88 58.66 3a1l h LEU 98 Cb 1.17 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 3a1l h LEU 98 CO 0.74 -0.09 0.48 1.62 -0.34 0.00 0.00 178.44 180.85 3a1l h VAL 99 N 0.31 0.81 -0.68 1.05 3.04 -1.95 0.19 116.25 119.02 3a1l h VAL 99 Ca 0.60 -0.13 -0.24 0.00 -1.01 0.00 0.00 66.70 65.91 3a1l h VAL 99 Cb 1.21 0.39 -0.14 0.00 -2.01 0.00 0.00 31.29 30.74 3a1l h VAL 99 CO -0.59 0.07 0.30 0.49 -1.01 0.00 0.00 177.57 176.83 3a1l n PHE 100 N -4.47 2.21 -4.35 3.17 3.72 -0.25 -4.93 117.46 112.57 3a1l n PHE 100 Ca 0.13 -1.17 -0.32 0.00 -0.05 0.00 0.00 57.45 56.04 3a1l n PHE 100 Cb 0.50 -0.66 -0.10 0.00 -0.94 0.00 0.00 39.48 38.28 3a1l n PHE 100 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3a1l s LEU 101 N -2.57 3.32 0.27 4.37 1.02 0.05 -4.70 118.68 120.45 3a1l s LEU 101 Ca 0.47 -0.11 0.08 0.00 0.02 0.00 0.00 54.13 54.59 3a1l s LEU 101 Cb 0.38 -1.93 -0.04 0.00 0.02 0.00 0.00 46.19 44.62 3a1l s LEU 101 CO 0.11 0.27 0.14 -1.81 0.02 0.00 0.00 176.35 175.07 3a1l s ASP 102 N -1.60 5.12 0.67 2.29 1.01 -1.26 -4.72 116.67 118.18 3a1l s ASP 102 Ca 0.19 -0.44 -0.16 0.00 0.71 0.00 0.00 52.55 52.85 3a1l s ASP 102 Cb -0.11 -1.13 0.01 0.00 1.01 0.00 0.00 42.92 42.69 3a1l s ASP 102 CO 0.10 -0.08 1.15 -2.84 0.21 0.00 0.00 175.17 173.71 3a1l s PRO 103 N -3.80 2.63 0.09 8.23 0.02 -1.26 -1.36 135.00 139.54 3a1l s PRO 103 Ca 0.34 1.56 0.07 0.00 0.02 0.00 0.00 61.00 62.98 3a1l s PRO 103 Cb -0.07 -1.91 -0.22 0.00 0.02 0.00 0.00 34.50 32.32 3a1l s PRO 103 CO 0.23 -1.41 1.16 -1.00 -0.33 0.00 0.00 177.00 175.65 3a1l h PRO 104 N 0.07 0.03 -0.60 5.54 0.13 -2.01 -3.45 132.00 131.70 3a1l h PRO 104 Ca -0.48 -0.05 0.12 0.00 -0.87 0.00 0.00 66.00 64.73 3a1l h PRO 104 Cb 1.27 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.30 3a1l h PRO 104 CO 0.53 0.94 -0.19 1.25 -0.23 0.00 0.00 178.00 180.30 3a1l h HIS 105 N 0.01 -0.44 -0.80 1.56 2.76 -1.95 -0.12 115.15 116.18 3a1l h HIS 105 Ca -0.07 0.06 0.04 0.00 -2.20 0.00 0.00 60.37 58.20 3a1l h HIS 105 Cb 1.83 0.29 -0.05 0.00 1.55 0.00 0.00 27.41 31.02 3a1l h HIS 105 CO 0.01 -0.29 0.50 1.25 -1.30 0.00 0.00 177.93 178.10 3a1l h HIS 106 N -0.04 0.93 -0.37 5.26 -0.00 -1.50 -1.99 115.15 117.44 3a1l h HIS 106 Ca 0.28 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.70 3a1l h HIS 106 Cb 0.47 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.55 3a1l h HIS 106 CO -0.52 0.51 0.21 1.15 -0.00 0.00 0.00 177.93 179.28 3a1l h THR 107 N 0.95 1.02 -0.57 6.26 2.02 -1.27 0.25 112.91 121.58 3a1l h THR 107 Ca 0.33 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 3a1l h THR 107 Cb 0.07 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3a1l h THR 107 CO -0.13 0.08 0.07 -0.33 0.37 0.00 0.00 175.52 175.57 3a1l h GLU 108 N 0.43 0.92 0.02 6.66 5.08 -0.93 -2.01 114.58 124.75 3a1l h GLU 108 Ca 0.15 -0.23 -0.21 0.00 -1.00 0.00 0.00 59.36 58.07 3a1l h GLU 108 Cb 0.02 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3a1l h GLU 108 CO -0.08 0.87 -0.95 1.25 -1.00 0.00 0.00 179.01 179.10 3a1l h LEU 109 N 0.87 0.21 -0.57 1.33 5.85 -1.11 -2.39 115.31 119.49 3a1l h LEU 109 Ca 0.17 -0.18 -0.16 0.00 0.84 0.00 0.00 57.88 58.55 3a1l h LEU 109 Cb 0.41 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3a1l h LEU 109 CO 0.01 1.04 -0.64 -0.09 -0.34 0.00 0.00 178.44 178.42 3a1l h ARG 110 N 0.07 0.29 -0.18 1.25 2.43 -0.84 -2.58 114.38 114.82 3a1l h ARG 110 Ca -0.05 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 58.78 3a1l h ARG 110 Cb 1.61 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 3a1l h ARG 110 CO 0.14 0.83 -0.39 1.03 -1.51 0.00 0.00 179.97 180.08 3a1l h SER 111 N 0.21 0.66 0.47 -3.80 0.87 -1.36 0.32 113.55 110.92 3a1l h SER 111 Ca -0.01 -0.56 -0.03 0.00 -1.23 0.00 0.00 61.79 59.96 3a1l h SER 111 Cb 1.17 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.93 3a1l h SER 111 CO 0.10 1.09 -0.16 0.25 -0.53 0.00 0.00 176.83 177.59 3a1l h LEU 112 N 0.25 0.00 0.04 2.23 5.85 -1.43 -3.29 115.31 118.96 3a1l h LEU 112 Ca 0.00 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.38 3a1l h LEU 112 Cb 0.99 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3a1l h LEU 112 CO 0.09 0.16 -1.91 0.18 -0.34 0.00 0.00 178.44 176.61 3a1l n LEU 113 N -3.63 2.29 -0.52 2.25 4.32 -0.98 -4.55 117.00 116.18 3a1l n LEU 113 Ca -0.01 0.26 0.43 0.00 -0.02 0.00 0.00 56.01 56.66 3a1l n LEU 113 Cb 0.28 -0.98 0.74 0.00 -1.62 0.00 0.00 43.42 41.85 3a1l n LEU 113 CO 0.31 0.61 1.36 0.00 -1.22 0.00 0.00 177.39 178.46 3a1l h THR 114 N -0.52 0.17 0.00 -5.08 1.03 -0.42 0.38 112.91 108.47 3a1l h THR 114 Ca -0.47 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 3a1l h THR 114 Cb 1.68 0.12 0.00 0.00 -1.07 0.00 0.00 68.15 68.88 3a1l h THR 114 CO -0.14 0.01 0.00 0.71 -0.01 0.00 0.00 175.52 176.09 3a1l h THR 115 N 0.04 0.00 -0.01 0.00 1.35 -1.80 -2.76 112.91 109.74 3a1l h THR 115 Ca 0.79 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 66.39 3a1l h THR 115 Cb 2.94 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 70.41 3a1l h THR 115 CO -0.14 0.00 -0.09 -0.62 -0.25 0.00 0.00 175.52 174.42 3a1l n GLU 116 N -2.54 0.99 -1.62 4.72 -0.58 0.12 -3.79 120.64 117.94 3a1l n GLU 116 Ca 0.01 -0.41 -0.04 0.00 -0.42 0.00 0.00 57.16 56.30 3a1l n GLU 116 Cb 0.21 -1.49 0.08 0.00 -0.57 0.00 0.00 31.44 29.68 3a1l n GLU 116 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3a1l n PHE 117 N -0.65 0.97 -1.70 -0.32 3.72 -1.04 -4.96 117.46 113.48 3a1l n PHE 117 Ca 0.17 -1.58 -0.33 0.00 -0.05 0.00 0.00 57.45 55.65 3a1l n PHE 117 Cb 0.28 -0.25 0.06 0.00 -0.94 0.00 0.00 39.48 38.63 3a1l n PHE 117 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3a1l s SER 118 N -3.16 4.92 0.54 4.37 1.04 -1.25 -4.71 113.70 115.45 3a1l s SER 118 Ca 0.38 2.09 0.23 0.00 0.48 0.00 0.00 55.95 59.14 3a1l s SER 118 Cb 0.38 -2.56 1.43 0.00 0.10 0.00 0.00 66.02 65.37 3a1l s SER 118 CO -0.06 -1.76 2.07 -0.65 0.98 0.00 0.00 173.24 173.82 3a1l h PRO 119 N 0.00 0.00 0.02 4.02 0.11 -1.95 -0.28 132.00 133.92 3a1l h PRO 119 Ca -0.47 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.43 3a1l h PRO 119 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3a1l h PRO 119 CO 0.53 0.00 -0.95 0.66 -0.21 0.00 0.00 178.00 178.03 3a1l h SER 120 N 0.00 0.27 -0.12 -2.05 4.64 -1.99 -1.51 113.55 112.80 3a1l h SER 120 Ca 0.13 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 61.14 3a1l h SER 120 Cb 0.56 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3a1l h SER 120 CO -0.00 1.07 -0.24 0.40 -0.87 0.00 0.00 176.83 177.19 3a1l h ILE 121 N 0.10 1.38 -0.82 0.95 2.04 -1.51 -2.92 117.51 116.73 3a1l h ILE 121 Ca -0.06 -1.52 0.07 0.00 1.00 0.00 0.00 64.86 64.35 3a1l h ILE 121 Cb 1.61 2.08 -0.06 0.00 -0.74 0.00 0.00 36.82 39.71 3a1l h ILE 121 CO 0.15 0.44 0.50 0.58 0.00 0.00 0.00 178.15 179.82 3a1l h VAL 122 N -0.06 1.01 -0.55 1.67 2.07 -1.12 -2.13 116.25 117.14 3a1l h VAL 122 Ca 0.00 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3a1l h VAL 122 Cb 0.83 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3a1l h VAL 122 CO 0.05 0.16 0.36 0.74 0.02 0.00 0.00 177.57 178.91 3a1l h THR 123 N 0.90 1.15 0.00 2.57 2.02 -1.29 -0.97 112.91 117.29 3a1l h THR 123 Ca 0.36 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 67.27 3a1l h THR 123 Cb 0.20 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3a1l h THR 123 CO -0.18 0.14 0.00 0.61 0.37 0.00 0.00 175.52 176.46 3a1l n GLY 124 N -1.23 -0.75 0.01 2.16 0.00 -0.83 -2.68 105.19 101.87 3a1l n GLY 124 Ca 0.03 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3a1l n GLY 124 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3a1l n LEU 125 N -0.59 0.00 -0.34 0.99 7.94 -0.42 -4.66 117.00 119.92 3a1l n LEU 125 Ca 0.03 0.00 0.21 0.00 -1.11 0.00 0.00 56.01 55.15 3a1l n LEU 125 Cb 0.02 0.04 0.44 0.00 0.53 0.00 0.00 43.42 44.45 3a1l n LEU 125 CO 0.02 0.04 1.14 0.03 -1.11 0.00 0.00 177.39 177.51 3a1l h ARG 126 N 0.00 0.42 -0.12 1.96 3.08 -1.19 -0.85 114.38 117.67 3a1l h ARG 126 Ca -0.04 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3a1l h ARG 126 Cb 0.59 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3a1l h ARG 126 CO 0.00 0.27 0.05 -1.35 -1.07 0.00 0.00 179.97 177.88 3a1l h PRO 127 N 0.43 0.18 0.00 0.04 0.11 -1.83 -1.33 132.00 129.61 3a1l h PRO 127 Ca 0.70 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.70 3a1l h PRO 127 Cb 1.50 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.57 3a1l h PRO 127 CO -0.55 0.27 -0.38 -0.09 -0.21 0.00 0.00 178.00 177.04 3a1l h ARG 128 N 0.05 0.00 -0.06 1.05 9.65 -1.58 -1.24 114.38 122.25 3a1l h ARG 128 Ca 0.04 0.00 -0.18 0.00 -1.10 0.00 0.00 59.98 58.74 3a1l h ARG 128 Cb 0.15 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.73 3a1l h ARG 128 CO -0.00 0.38 -0.73 0.82 2.80 0.00 0.00 179.97 183.23 3a1l h ILE 129 N 0.00 1.40 -0.24 1.20 2.04 -1.08 -1.64 117.51 119.20 3a1l h ILE 129 Ca -0.00 -2.20 -0.12 0.00 1.00 0.00 0.00 64.86 63.54 3a1l h ILE 129 Cb 0.81 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 39.05 3a1l h ILE 129 CO 0.05 0.65 -0.31 0.00 0.00 0.00 0.00 178.15 178.55 3a1l h ALA 130 N 1.00 0.36 -0.75 1.87 0.00 -0.79 -2.47 119.26 118.48 3a1l h ALA 130 Ca -0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 3a1l h ALA 130 Cb 1.30 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3a1l h ALA 130 CO 0.12 0.39 0.25 1.49 0.00 0.00 0.00 179.25 181.50 3a1l h GLU 131 N 0.34 1.16 0.38 0.00 4.81 -1.21 -2.29 114.58 117.77 3a1l h GLU 131 Ca 0.03 -0.24 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 3a1l h GLU 131 Cb 0.88 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3a1l h GLU 131 CO 0.07 0.97 -0.18 1.25 -0.73 0.00 0.00 179.01 180.39 3a1l h LEU 132 N 1.11 -0.44 -0.79 1.64 7.12 -1.27 -2.60 115.31 120.08 3a1l h LEU 132 Ca 0.24 -0.09 0.16 0.00 0.13 0.00 0.00 57.88 58.32 3a1l h LEU 132 Cb 0.29 0.11 -0.10 0.00 -0.53 0.00 0.00 40.66 40.43 3a1l h LEU 132 CO -0.01 -0.15 0.32 0.00 -0.13 0.00 0.00 178.44 178.47 3a1l h ALA 133 N -0.19 1.15 0.01 1.25 0.00 -1.38 -0.93 119.26 119.16 3a1l h ALA 133 Ca -0.05 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a1l h ALA 133 Cb 0.50 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3a1l h ALA 133 CO 0.09 -0.23 -0.00 1.03 0.00 0.00 0.00 179.25 180.13 3a1l h SER 134 N 0.44 -0.01 0.16 0.00 0.87 -1.35 -2.02 113.55 111.65 3a1l h SER 134 Ca 0.45 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 3a1l h SER 134 Cb 0.72 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.67 3a1l h SER 134 CO -0.43 0.15 -0.11 0.00 -0.53 0.00 0.00 176.83 175.91 3a1l h ALA 135 N 0.83 1.63 -0.20 6.23 0.00 -1.02 -2.10 119.26 124.63 3a1l h ALA 135 Ca -0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 3a1l h ALA 135 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3a1l h ALA 135 CO 0.00 0.13 -0.56 1.25 0.00 0.00 0.00 179.25 180.08 3a1l h LEU 136 N 0.00 0.83 -1.38 0.00 5.85 -0.89 -2.78 115.31 116.94 3a1l h LEU 136 Ca -0.00 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.14 3a1l h LEU 136 Cb 0.21 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.00 3a1l h LEU 136 CO 0.01 1.26 0.00 -0.07 -0.34 0.00 0.00 178.44 179.31 3a1l h LEU 137 N 0.44 0.00 0.09 2.25 3.38 -0.73 -0.91 115.31 119.82 3a1l h LEU 137 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3a1l h LEU 137 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3a1l h LEU 137 CO 0.12 0.00 -0.04 0.44 0.09 0.00 0.00 178.44 179.05 3a1l h ASP 138 N 0.00 -0.10 -0.62 -0.43 3.32 -1.15 -2.21 116.42 115.22 3a1l h ASP 138 Ca 0.00 -0.47 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 3a1l h ASP 138 Cb 0.33 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3a1l h ASP 138 CO 0.00 0.56 0.32 0.03 -1.72 0.00 0.00 179.24 178.43 3a1l h ARG 139 N -0.90 0.88 0.00 3.56 3.08 -1.30 -2.27 114.38 117.44 3a1l h ARG 139 Ca -0.01 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 3a1l h ARG 139 Cb 0.57 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 3a1l h ARG 139 CO 0.02 0.69 -0.15 1.25 -1.07 0.00 0.00 179.97 180.71 3a1l h LEU 140 N 0.85 0.00 0.12 3.04 5.85 -1.27 -2.95 115.31 120.96 3a1l h LEU 140 Ca 0.22 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.64 3a1l h LEU 140 Cb 0.08 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.13 3a1l h LEU 140 CO -0.03 0.15 -1.27 -0.09 -0.34 0.00 0.00 178.44 176.86 3a1l h ARG 141 N 0.00 0.51 -2.45 1.25 2.43 -0.83 -3.27 114.38 112.01 3a1l h ARG 141 Ca -0.00 -0.74 -0.45 0.00 -0.81 0.00 0.00 59.98 57.99 3a1l h ARG 141 Cb 0.36 0.25 -0.04 0.00 -0.42 0.00 0.00 29.97 30.13 3a1l h ARG 141 CO 0.02 1.33 1.60 0.00 -1.51 0.00 0.00 179.97 181.41 3a1l n ALA 142 N -2.64 6.91 -3.07 2.80 0.00 -0.99 -4.86 120.51 118.66 3a1l n ALA 142 Ca -0.13 -2.76 -0.12 0.00 0.00 0.00 0.00 53.44 50.43 3a1l n ALA 142 Cb 1.01 -2.77 -0.08 0.00 0.00 0.00 0.00 19.45 17.60 3a1l n ALA 142 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3a1l s GLN 143 N 1.15 0.68 -0.33 0.00 0.74 -1.23 -5.00 119.66 115.67 3a1l s GLN 143 Ca 0.67 -0.41 -0.24 0.00 0.05 0.00 0.00 55.36 55.43 3a1l s GLN 143 Cb 0.26 0.29 0.01 0.00 1.10 0.00 0.00 33.01 34.67 3a1l s GLN 143 CO -0.05 -0.20 0.81 0.50 -0.55 0.00 0.00 175.29 175.81 3a1l s ARG 144 N -1.95 3.89 -0.75 1.67 3.52 -1.26 -4.17 118.95 119.89 3a1l s ARG 144 Ca -0.09 0.52 -0.01 0.00 -0.13 0.00 0.00 55.73 56.02 3a1l s ARG 144 Cb -0.03 -3.76 -0.01 0.00 -1.56 0.00 0.00 34.95 29.59 3a1l s ARG 144 CO -0.00 -0.76 0.71 0.54 -0.81 0.00 0.00 175.30 174.97 3a1l n ARG 145 N 6.34 -1.38 -1.72 5.12 1.74 -1.26 -4.89 116.66 120.61 3a1l n ARG 145 Ca 0.04 1.43 -0.43 0.00 -0.77 0.00 0.00 57.85 58.12 3a1l n ARG 145 Cb 0.48 -5.70 -0.02 0.00 -1.02 0.00 0.00 32.46 26.20 3a1l n ARG 145 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3a1l n PRO 146 N -1.88 2.51 -3.83 5.56 -0.04 -1.26 -4.92 135.00 131.14 3a1l n PRO 146 Ca -0.01 0.89 -0.36 0.00 -0.04 0.00 0.00 63.50 63.98 3a1l n PRO 146 Cb 0.51 -2.64 -0.13 0.00 -0.04 0.00 0.00 33.50 31.20 3a1l n PRO 146 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3a1l s ASP 147 N 0.43 5.10 0.61 3.54 2.15 -1.26 -3.05 116.67 124.19 3a1l s ASP 147 Ca 0.65 -1.27 0.28 0.00 0.43 0.00 0.00 52.55 52.64 3a1l s ASP 147 Cb -0.54 -1.79 1.41 0.00 -0.30 0.00 0.00 42.92 41.70 3a1l s ASP 147 CO 0.49 -0.31 1.82 -0.07 -0.17 0.00 0.00 175.17 176.93 3a1l h LEU 148 N 8.10 0.00 0.00 -1.34 4.07 -1.34 -0.64 115.31 124.16 3a1l h LEU 148 Ca -0.21 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3a1l h LEU 148 Cb 1.07 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.81 3a1l h LEU 148 CO 0.57 0.00 0.00 0.52 -1.08 0.00 0.00 178.44 178.45 3a1l n VAL 149 N -3.50 0.00 0.31 1.22 0.31 -1.26 -1.16 118.33 114.25 3a1l n VAL 149 Ca 0.08 0.46 0.20 0.00 -0.01 0.00 0.00 64.34 65.07 3a1l n VAL 149 Cb 0.72 -1.38 0.98 0.00 -0.91 0.00 0.00 33.84 33.25 3a1l n VAL 149 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 3a1l h GLU 150 N 0.00 0.00 -0.23 5.55 4.11 -1.82 0.04 114.58 122.23 3a1l h GLU 150 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3a1l h GLU 150 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3a1l h GLU 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 3a1l n GLY 151 N -0.58 1.36 1.43 1.06 0.00 -0.25 -4.55 105.19 103.67 3a1l n GLY 151 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3a1l n GLY 151 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3a1l n PHE 152 N 1.39 -1.77 -0.12 1.61 7.35 -0.87 -4.73 117.46 120.31 3a1l n PHE 152 Ca 0.16 0.00 0.25 0.00 -0.76 0.00 0.00 57.45 57.11 3a1l n PHE 152 Cb 0.59 0.36 0.70 0.00 0.35 0.00 0.00 39.48 41.48 3a1l n PHE 152 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3a1l h ALA 153 N 0.28 2.70 0.00 3.13 0.00 -0.96 -1.47 119.26 122.94 3a1l h ALA 153 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3a1l h ALA 153 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3a1l h ALA 153 CO 0.00 -0.92 -0.46 0.00 0.00 0.00 0.00 179.25 177.86 3a1l h ALA 154 N 1.62 0.07 0.00 0.00 0.00 -1.25 -3.33 119.26 116.37 3a1l h ALA 154 Ca 0.37 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3a1l h ALA 154 Cb 1.45 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3a1l h ALA 154 CO -0.01 0.32 -0.17 -1.00 0.00 0.00 0.00 179.25 178.39 3a1l h PRO 155 N -1.00 0.00 0.65 0.00 0.13 -1.72 -3.07 132.00 126.99 3a1l h PRO 155 Ca -0.09 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.01 3a1l h PRO 155 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.81 3a1l h PRO 155 CO -0.05 0.17 -0.39 1.25 -0.23 0.00 0.00 178.00 178.75 3a1l h LEU 156 N 0.00 -0.97 -1.66 1.56 5.85 -1.46 -0.78 115.31 117.84 3a1l h LEU 156 Ca -0.00 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3a1l h LEU 156 Cb 0.45 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3a1l h LEU 156 CO 0.02 -0.60 -0.20 1.55 -0.34 0.00 0.00 178.44 178.88 3a1l h PRO 157 N -0.97 0.00 -0.56 5.25 0.13 -1.76 -2.60 132.00 131.50 3a1l h PRO 157 Ca -0.09 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.94 3a1l h PRO 157 Cb 0.77 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 3a1l h PRO 157 CO 0.09 0.20 -0.07 0.82 -0.23 0.00 0.00 178.00 178.81 3a1l h ILE 158 N 0.00 1.27 -0.03 -3.56 2.04 -1.42 0.12 117.51 115.93 3a1l h ILE 158 Ca -0.00 -1.22 -0.10 0.00 1.00 0.00 0.00 64.86 64.54 3a1l h ILE 158 Cb 0.42 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3a1l h ILE 158 CO 0.03 0.43 -0.45 -0.07 0.00 0.00 0.00 178.15 178.09 3a1l h LEU 159 N 0.92 0.07 -0.02 1.44 4.07 -0.78 -0.09 115.31 120.92 3a1l h LEU 159 Ca 0.15 -0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.99 3a1l h LEU 159 Cb 0.62 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 42.35 3a1l h LEU 159 CO 0.04 0.51 -0.35 0.58 -1.08 0.00 0.00 178.44 178.14 3a1l h VAL 160 N 0.06 1.48 -0.01 1.22 2.07 -1.11 -2.91 116.25 117.04 3a1l h VAL 160 Ca 0.00 -1.89 -0.16 0.00 0.82 0.00 0.00 66.70 65.47 3a1l h VAL 160 Cb 0.82 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.15 3a1l h VAL 160 CO 0.06 0.53 -0.72 -0.29 0.02 0.00 0.00 177.57 177.17 3a1l h ILE 161 N -0.30 1.49 -0.41 4.57 6.09 -0.96 -2.86 117.51 125.13 3a1l h ILE 161 Ca -0.04 -2.40 -0.08 0.00 -1.37 0.00 0.00 64.86 60.97 3a1l h ILE 161 Cb 1.06 2.30 -0.02 0.00 0.47 0.00 0.00 36.82 40.63 3a1l h ILE 161 CO 0.07 0.69 -0.08 0.28 -3.07 0.00 0.00 178.15 176.04 3a1l h SER 162 N 0.04 0.69 0.86 2.19 0.02 -1.08 0.78 113.55 117.05 3a1l h SER 162 Ca -0.01 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.66 3a1l h SER 162 Cb 1.28 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3a1l h SER 162 CO 0.10 0.81 -0.45 0.00 -1.14 0.00 0.00 176.83 176.15 3a1l h ALA 163 N 1.26 0.95 -0.06 3.77 0.00 -1.49 0.11 119.26 123.81 3a1l h ALA 163 Ca 0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3a1l h ALA 163 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3a1l h ALA 163 CO 0.03 0.56 -0.13 1.25 0.00 0.00 0.00 179.25 180.96 3a1l h LEU 164 N 0.00 0.21 -0.65 0.00 5.85 -1.10 -3.24 115.31 116.38 3a1l h LEU 164 Ca -0.00 -0.58 -0.10 0.00 0.84 0.00 0.00 57.88 58.04 3a1l h LEU 164 Cb 1.00 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3a1l h LEU 164 CO 0.06 0.75 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.82 3a1l h LEU 165 N -0.32 1.02 0.00 2.25 4.07 -0.80 -2.08 115.31 119.45 3a1l h LEU 165 Ca 0.00 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.67 3a1l h LEU 165 Cb 0.72 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.19 3a1l h LEU 165 CO 0.03 1.08 0.00 0.61 -1.08 0.00 0.00 178.44 179.08 3a1l n GLY 166 N -0.42 1.87 3.40 0.83 0.00 -0.17 -1.75 105.19 108.95 3a1l n GLY 166 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3a1l n GLY 166 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a1l s ILE 167 N -2.00 2.40 0.38 -0.61 -4.36 0.21 -5.01 121.20 112.21 3a1l s ILE 167 Ca 0.00 -1.55 -0.25 0.00 -0.26 0.00 0.00 60.65 58.60 3a1l s ILE 167 Cb 0.00 -2.03 -0.12 0.00 1.25 0.00 0.00 42.46 41.55 3a1l s ILE 167 CO 0.00 0.19 0.81 -2.65 0.24 0.00 0.00 174.94 173.53 3a1l n PRO 168 N 1.19 0.97 0.17 0.37 -0.02 -1.26 -4.23 135.00 132.19 3a1l n PRO 168 Ca -0.17 0.35 0.06 0.00 -2.02 0.00 0.00 63.50 61.72 3a1l n PRO 168 Cb 0.53 -1.73 0.12 0.00 -0.02 0.00 0.00 33.50 32.39 3a1l n PRO 168 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3a1l h GLU 169 N 1.32 0.00 0.00 -0.52 5.08 -1.95 -3.11 114.58 115.40 3a1l h GLU 169 Ca -0.41 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3a1l h GLU 169 Cb 1.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 3a1l h GLU 169 CO 0.56 0.31 -0.01 0.93 -1.00 0.00 0.00 179.01 179.80 3a1l h GLU 170 N 0.00 0.00 -0.08 2.33 3.07 -2.03 -0.37 114.58 117.50 3a1l h GLU 170 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3a1l h GLU 170 Cb 1.20 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3a1l h GLU 170 CO 0.04 0.01 0.00 -0.25 -1.40 0.00 0.00 179.01 177.41 3a1l n ASP 171 N -3.27 1.40 -0.34 1.42 8.00 -1.17 -4.44 116.55 118.15 3a1l n ASP 171 Ca -0.02 -1.56 0.18 0.00 0.71 0.00 0.00 54.79 54.09 3a1l n ASP 171 Cb 0.12 -0.05 0.40 0.00 -0.02 0.00 0.00 41.12 41.57 3a1l n ASP 171 CO 0.00 0.00 0.00 1.12 -0.39 0.00 0.00 177.20 177.93 3a1l h HIS 172 N 2.02 0.92 0.07 1.24 2.07 -1.24 0.42 115.15 120.65 3a1l h HIS 172 Ca 0.00 0.03 -0.26 0.00 -2.85 0.00 0.00 60.37 57.29 3a1l h HIS 172 Cb 0.44 -0.27 0.01 0.00 2.57 0.00 0.00 27.41 30.16 3a1l h HIS 172 CO 0.05 0.12 -1.11 1.15 -3.07 0.00 0.00 177.93 175.07 3a1l h THR 173 N 0.58 1.37 -0.48 6.12 2.02 -1.83 -2.47 112.91 118.22 3a1l h THR 173 Ca 0.61 -2.55 -0.09 0.00 0.77 0.00 0.00 66.41 65.15 3a1l h THR 173 Cb 1.19 2.60 -0.02 0.00 -1.74 0.00 0.00 68.15 70.19 3a1l h THR 173 CO -0.39 0.76 -0.07 -0.25 0.37 0.00 0.00 175.52 175.95 3a1l h TRP 174 N 0.23 0.92 -0.52 3.16 7.01 -1.30 -2.06 115.95 123.38 3a1l h TRP 174 Ca -0.13 -0.16 -0.11 0.00 2.11 0.00 0.00 58.89 60.60 3a1l h TRP 174 Cb 1.78 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 28.58 3a1l h TRP 174 CO 0.08 0.87 -0.11 -0.07 -2.79 0.00 0.00 178.44 176.42 3a1l h LEU 175 N 0.77 0.97 0.07 0.65 -0.00 -0.26 -2.92 115.31 114.59 3a1l h LEU 175 Ca 0.14 -0.32 -0.00 0.00 -0.00 0.00 0.00 57.88 57.69 3a1l h LEU 175 Cb 0.56 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.95 3a1l h LEU 175 CO 0.03 1.09 -0.03 -0.09 -0.00 0.00 0.00 178.44 179.44 3a1l h ARG 176 N 0.87 -0.09 0.07 1.13 9.65 -1.19 -1.57 114.38 123.24 3a1l h ARG 176 Ca 0.14 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 59.04 3a1l h ARG 176 Cb 0.66 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.21 3a1l h ARG 176 CO 0.05 0.01 -0.51 0.00 2.80 0.00 0.00 179.97 182.31 3a1l h ALA 177 N 0.75 -0.96 -0.62 2.80 0.00 -1.35 -1.04 119.26 118.83 3a1l h ALA 177 Ca -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3a1l h ALA 177 Cb 0.15 0.91 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3a1l h ALA 177 CO 0.02 -1.10 0.41 -0.91 0.00 0.00 0.00 179.25 177.67 3a1l h ASN 178 N -0.69 0.64 -0.32 0.00 2.35 -1.53 -1.22 115.58 114.80 3a1l h ASN 178 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3a1l h ASN 178 Cb 0.72 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 3a1l h ASN 178 CO -0.31 0.44 0.21 0.00 -1.65 0.00 0.00 177.43 176.12 3a1l h ALA 179 N 1.64 0.41 -0.21 -0.83 0.00 -0.58 0.12 119.26 119.80 3a1l h ALA 179 Ca 0.25 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 3a1l h ALA 179 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3a1l h ALA 179 CO -0.07 -0.11 -0.18 0.28 0.00 0.00 0.00 179.25 179.17 3a1l h VAL 180 N 0.43 1.22 -0.20 0.00 2.07 -0.50 -1.01 116.25 118.27 3a1l h VAL 180 Ca 0.12 -1.02 -0.08 0.00 0.82 0.00 0.00 66.70 66.54 3a1l h VAL 180 Cb -0.03 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3a1l h VAL 180 CO -0.02 0.32 -0.17 0.00 0.02 0.00 0.00 177.57 177.72 3a1l h ALA 181 N 1.49 0.29 -0.51 1.67 0.00 -0.61 -2.98 119.26 118.63 3a1l h ALA 181 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3a1l h ALA 181 Cb 0.50 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3a1l h ALA 181 CO 0.03 0.20 0.26 1.25 0.00 0.00 0.00 179.25 180.99 3a1l h LEU 182 N 0.15 0.62 -0.11 0.00 6.46 -0.55 -1.96 115.31 119.93 3a1l h LEU 182 Ca 0.04 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3a1l h LEU 182 Cb 0.70 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 3a1l h LEU 182 CO 0.04 0.52 0.00 1.67 -0.62 0.00 0.00 178.44 180.05 3a1l n GLN 183 N -4.40 0.01 0.00 1.25 -0.06 -0.40 -1.95 117.38 111.84 3a1l n GLN 183 Ca 0.04 0.43 0.09 0.00 -2.00 0.00 0.00 57.00 55.56 3a1l n GLN 183 Cb 0.11 -1.54 0.53 0.00 -4.06 0.00 0.00 30.24 25.28 3a1l n GLN 183 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 3a1l n GLU 184 N -1.57 0.49 0.01 3.69 1.02 -0.74 -2.94 120.64 120.60 3a1l n GLU 184 Ca 0.01 0.03 0.11 0.00 -0.02 0.00 0.00 57.16 57.29 3a1l n GLU 184 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 3a1l n GLU 184 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a1l n ALA 185 N -1.09 3.88 -1.70 0.62 0.00 -0.82 -4.80 120.51 116.60 3a1l n ALA 185 Ca 0.13 -0.47 -0.38 0.00 0.00 0.00 0.00 53.44 52.72 3a1l n ALA 185 Cb 0.09 -0.91 0.06 0.00 0.00 0.00 0.00 19.45 18.69 3a1l n ALA 185 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3a1l n SER 186 N -1.72 1.83 0.21 0.00 3.41 -1.15 -4.87 113.62 111.33 3a1l n SER 186 Ca 0.03 0.85 0.18 0.00 -0.26 0.00 0.00 58.87 59.67 3a1l n SER 186 Cb 0.39 -1.51 0.83 0.00 -0.26 0.00 0.00 64.21 63.66 3a1l n SER 186 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 3a1l h THR 187 N 0.69 0.32 0.00 6.66 1.35 -1.93 -2.57 112.91 117.44 3a1l h THR 187 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3a1l h THR 187 Cb 1.34 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3a1l h THR 187 CO 0.53 0.00 -0.24 0.35 -0.25 0.00 0.00 175.52 175.91 3a1l n THR 188 N -3.56 0.13 -2.53 6.82 -2.24 -1.26 -4.88 114.28 106.76 3a1l n THR 188 Ca 0.02 -0.08 -0.26 0.00 -2.27 0.00 0.00 64.05 61.46 3a1l n THR 188 Cb 0.40 -0.23 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 3a1l n THR 188 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3a1l s ARG 189 N -3.04 3.10 1.21 -0.78 1.81 -0.97 -4.53 118.95 115.76 3a1l s ARG 189 Ca 0.11 -0.02 -0.17 0.00 -1.72 0.00 0.00 55.73 53.94 3a1l s ARG 189 Cb 0.17 -2.34 0.29 0.00 -0.45 0.00 0.00 34.95 32.62 3a1l s ARG 189 CO 0.62 -0.52 1.03 0.00 -0.68 0.00 0.00 175.30 175.75 3a1l s ALA 190 N -2.87 -0.08 0.00 2.13 0.00 -1.26 -4.91 121.76 114.77 3a1l s ALA 190 Ca 0.51 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.92 3a1l s ALA 190 Cb -0.10 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3a1l s ALA 190 CO 0.44 -3.82 0.55 0.54 0.00 0.00 0.00 175.76 173.47 3a1l n ARG 191 N -4.95 0.41 -3.15 0.00 1.74 -1.26 -4.90 116.66 104.55 3a1l n ARG 191 Ca 0.08 -0.62 -0.41 0.00 -0.77 0.00 0.00 57.85 56.14 3a1l n ARG 191 Cb 0.58 -0.57 -0.07 0.00 -1.02 0.00 0.00 32.46 31.37 3a1l n ARG 191 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3a1l s ASP 192 N -0.14 6.49 0.34 0.55 1.11 -1.26 -3.23 116.67 120.53 3a1l s ASP 192 Ca 0.00 0.50 0.00 0.00 0.18 0.00 0.00 52.55 53.23 3a1l s ASP 192 Cb 0.00 -2.32 0.00 0.00 1.07 0.00 0.00 42.92 41.67 3a1l s ASP 192 CO 0.00 -0.40 0.00 0.61 1.18 0.00 0.00 175.17 176.56 3a1l n GLY 193 N 4.37 -4.58 4.02 0.21 0.00 -1.26 -4.63 105.19 103.32 3a1l n GLY 193 Ca -0.02 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 3a1l n GLY 193 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3a1l n ARG 194 N -0.05 -1.88 0.00 1.61 1.85 -1.26 -4.91 116.66 112.01 3a1l n ARG 194 Ca 0.00 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 3a1l n ARG 194 Cb 0.00 -4.82 0.00 0.00 -1.05 0.00 0.00 32.46 26.59 3a1l n ARG 194 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3a1l n GLY 195 N -1.05 -1.18 0.31 2.89 0.00 -1.20 -4.21 105.19 100.75 3a1l n GLY 195 Ca 0.08 -0.09 0.18 0.00 0.00 0.00 0.00 46.02 46.19 3a1l n GLY 195 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3a1l h TYR 196 N 0.00 0.00 -0.39 1.61 0.05 -1.87 -3.30 116.97 113.06 3a1l h TYR 196 Ca 0.00 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.82 3a1l h TYR 196 Cb 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.69 3a1l h TYR 196 CO 0.00 0.01 -0.23 0.00 -1.05 0.00 0.00 178.16 176.89 3a1l n ALA 197 N -2.20 -0.25 0.04 3.88 0.00 -1.26 0.45 120.51 121.17 3a1l n ALA 197 Ca -0.03 0.33 -0.01 0.00 0.00 0.00 0.00 53.44 53.74 3a1l n ALA 197 Cb 0.10 0.04 0.27 0.00 0.00 0.00 0.00 19.45 19.86 3a1l n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a1l h ARG 198 N 0.00 0.41 0.00 0.00 3.08 -1.75 -2.46 114.38 113.67 3a1l h ARG 198 Ca 0.06 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 3a1l h ARG 198 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3a1l h ARG 198 CO -0.37 0.58 -0.44 0.00 -1.07 0.00 0.00 179.97 178.67 3a1l h ALA 199 N 1.44 1.18 0.05 0.04 0.00 -0.06 -1.40 119.26 120.51 3a1l h ALA 199 Ca 0.07 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 3a1l h ALA 199 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3a1l h ALA 199 CO 0.03 0.56 -0.03 1.49 0.00 0.00 0.00 179.25 181.30 3a1l h GLU 200 N 0.00 -0.07 -0.44 0.00 4.57 0.13 -1.30 114.58 117.46 3a1l h GLU 200 Ca -0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 3a1l h GLU 200 Cb 0.83 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.41 3a1l h GLU 200 CO 0.06 0.28 0.11 0.00 -1.18 0.00 0.00 179.01 178.29 3a1l h ALA 201 N 0.48 1.38 -0.39 2.92 0.00 -1.37 -1.11 119.26 121.18 3a1l h ALA 201 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3a1l h ALA 201 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3a1l h ALA 201 CO 0.01 0.45 0.10 0.00 0.00 0.00 0.00 179.25 179.81 3a1l h ALA 202 N 1.49 0.51 -0.83 0.00 0.00 -1.17 -1.79 119.26 117.48 3a1l h ALA 202 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a1l h ALA 202 Cb 0.23 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3a1l h ALA 202 CO -0.00 0.19 0.54 0.77 0.00 0.00 0.00 179.25 180.74 3a1l h SER 203 N 0.49 0.96 -0.64 0.00 0.02 -0.47 -2.44 113.55 111.47 3a1l h SER 203 Ca 0.12 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3a1l h SER 203 Cb 0.31 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 3a1l h SER 203 CO 0.00 0.71 0.24 1.56 -1.14 0.00 0.00 176.83 178.20 3a1l h GLN 204 N 1.13 0.97 -0.59 3.45 4.20 -0.91 -1.67 115.11 121.69 3a1l h GLN 204 Ca 0.30 -0.19 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 3a1l h GLN 204 Cb -0.11 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.50 3a1l h GLN 204 CO -0.06 0.83 0.14 0.93 -0.67 0.00 0.00 178.83 180.00 3a1l h GLU 205 N 0.91 0.94 -0.41 1.46 4.39 -1.10 -2.39 114.58 118.38 3a1l h GLU 205 Ca 0.21 -0.23 -0.07 0.00 0.34 0.00 0.00 59.36 59.62 3a1l h GLU 205 Cb 0.24 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 3a1l h GLU 205 CO -0.01 0.87 -0.02 0.74 -1.16 0.00 0.00 179.01 179.43 3a1l h PHE 206 N 0.85 0.71 -0.31 4.33 0.04 -1.28 0.66 116.94 121.94 3a1l h PHE 206 Ca 0.19 -0.09 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 3a1l h PHE 206 Cb 0.35 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 3a1l h PHE 206 CO 0.02 0.68 0.02 1.15 -0.60 0.00 0.00 178.31 179.58 3a1l h THR 207 N 0.63 1.25 -0.11 -1.55 2.02 -1.05 0.40 112.91 114.50 3a1l h THR 207 Ca 0.13 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.37 3a1l h THR 207 Cb 0.42 1.24 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3a1l h THR 207 CO 0.02 0.29 -0.06 -0.09 0.37 0.00 0.00 175.52 176.05 3a1l h ARG 208 N 0.34 0.24 -0.21 6.66 2.43 -1.26 0.13 114.38 122.70 3a1l h ARG 208 Ca 0.09 -0.11 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3a1l h ARG 208 Cb 0.41 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 3a1l h ARG 208 CO 0.01 0.59 -0.16 -0.92 -1.51 0.00 0.00 179.97 177.98 3a1l h TYR 209 N -0.12 -0.41 -0.06 2.20 5.03 -0.80 0.92 116.97 123.73 3a1l h TYR 209 Ca 0.02 0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.21 3a1l h TYR 209 Cb 0.52 0.21 -0.01 0.00 1.55 0.00 0.00 36.73 39.00 3a1l h TYR 209 CO 0.07 -0.23 -0.65 0.74 -1.32 0.00 0.00 178.16 176.77 3a1l h PHE 210 N -0.16 0.30 -0.86 -3.82 0.04 -0.91 -2.64 116.94 108.89 3a1l h PHE 210 Ca 0.12 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 3a1l h PHE 210 Cb 0.35 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 3a1l h PHE 210 CO -0.32 0.81 0.46 0.00 -0.60 0.00 0.00 178.31 178.66 3a1l h ARG 211 N 0.17 1.20 -0.46 1.51 3.08 -0.10 -1.16 114.38 118.61 3a1l h ARG 211 Ca -0.01 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 3a1l h ARG 211 Cb 1.17 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 3a1l h ARG 211 CO 0.10 0.89 0.26 -0.09 -1.07 0.00 0.00 179.97 180.06 3a1l h ARG 212 N 1.20 0.64 0.29 0.04 2.43 -0.62 -2.14 114.38 116.23 3a1l h ARG 212 Ca 0.30 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3a1l h ARG 212 Cb 0.05 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3a1l h ARG 212 CO -0.05 0.49 -0.39 0.93 -1.51 0.00 0.00 179.97 179.45 3a1l h GLU 213 N 0.61 -0.68 -0.77 0.20 4.39 -0.91 -2.44 114.58 114.98 3a1l h GLU 213 Ca 0.16 0.05 0.17 0.00 0.34 0.00 0.00 59.36 60.08 3a1l h GLU 213 Cb 0.04 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.79 3a1l h GLU 213 CO -0.03 -0.45 0.52 -0.24 -1.16 0.00 0.00 179.01 177.65 3a1l h VAL 214 N -0.71 0.74 0.00 3.13 3.04 -1.27 0.40 116.25 121.58 3a1l h VAL 214 Ca -0.04 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 3a1l h VAL 214 Cb 0.64 0.39 0.00 0.00 -2.01 0.00 0.00 31.29 30.30 3a1l h VAL 214 CO -0.10 0.06 0.00 -0.67 -1.01 0.00 0.00 177.57 175.85 3a1l n ASP 215 N -4.46 0.16 -0.83 3.17 2.03 -0.81 -2.17 116.55 113.66 3a1l n ASP 215 Ca 0.15 0.54 0.13 0.00 0.52 0.00 0.00 54.79 56.12 3a1l n ASP 215 Cb 0.61 -0.57 0.21 0.00 -0.72 0.00 0.00 41.12 40.65 3a1l n ASP 215 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 3a1l n ARG 216 N -1.67 2.14 -2.71 -0.67 0.00 0.14 -4.93 116.66 108.96 3a1l n ARG 216 Ca 0.04 -1.66 -0.42 0.00 -0.00 0.00 0.00 57.85 55.80 3a1l n ARG 216 Cb 0.21 -1.47 -0.03 0.00 0.00 0.00 0.00 32.46 31.17 3a1l n ARG 216 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3a1l s ARG 217 N -2.01 3.42 0.00 -0.14 3.00 -0.92 -3.98 118.95 118.32 3a1l s ARG 217 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 55.73 56.03 3a1l s ARG 217 Cb 0.20 -4.04 0.00 0.00 0.00 0.00 0.00 34.95 31.12 3a1l s ARG 217 CO 0.31 -1.59 0.00 0.41 0.00 0.00 0.00 175.30 174.43 3a1l n GLY 218 N 5.09 0.37 0.00 -3.53 0.00 -1.26 -4.99 105.19 100.88 3a1l n GLY 218 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3a1l n GLY 218 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a1l n GLY 219 N 0.00 0.14 3.80 -0.02 0.00 -1.26 -5.08 105.19 102.77 3a1l n GLY 219 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3a1l n GLY 219 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1l s ASP 220 N 1.30 4.56 -0.30 1.61 1.11 -1.26 -5.07 116.67 118.62 3a1l s ASP 220 Ca 0.00 -1.09 -0.06 0.00 0.18 0.00 0.00 52.55 51.59 3a1l s ASP 220 Cb 0.00 -0.25 0.17 0.00 1.07 0.00 0.00 42.92 43.90 3a1l s ASP 220 CO 0.00 -0.70 0.66 -1.81 1.18 0.00 0.00 175.17 174.50 3a1l s ASP 221 N -4.02 -1.22 0.00 0.27 1.11 -1.26 -4.78 116.67 106.77 3a1l s ASP 221 Ca 0.39 1.11 0.00 0.00 0.18 0.00 0.00 52.55 54.23 3a1l s ASP 221 Cb 0.01 2.16 0.00 0.00 1.07 0.00 0.00 42.92 46.16 3a1l s ASP 221 CO 0.22 -0.23 0.00 -2.11 1.18 0.00 0.00 175.17 174.23 3a1l n ARG 222 N 5.42 2.44 -3.70 8.23 0.00 -1.26 -5.06 116.66 122.73 3a1l n ARG 222 Ca -0.06 0.00 -0.36 0.00 -0.00 0.00 0.00 57.85 57.43 3a1l n ARG 222 Cb 0.50 0.00 -0.09 0.00 -0.00 0.00 0.00 32.46 32.87 3a1l n ARG 222 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3a1l s ASP 223 N 0.46 6.08 -0.30 2.89 1.01 -1.26 -4.81 116.67 120.75 3a1l s ASP 223 Ca 0.00 0.13 -0.20 0.00 0.71 0.00 0.00 52.55 53.19 3a1l s ASP 223 Cb 0.00 -2.09 0.20 0.00 1.01 0.00 0.00 42.92 42.05 3a1l s ASP 223 CO 0.00 0.10 1.36 1.51 0.21 0.00 0.00 175.17 178.35 3a1l s ASP 224 N 0.84 -0.05 0.24 0.27 1.47 -1.26 -4.97 116.67 113.22 3a1l s ASP 224 Ca 0.07 0.08 -0.08 0.00 1.18 0.00 0.00 52.55 53.81 3a1l s ASP 224 Cb -0.13 0.57 0.39 0.00 -0.34 0.00 0.00 42.92 43.41 3a1l s ASP 224 CO 0.02 -0.01 1.37 0.18 0.68 0.00 0.00 175.17 177.41 3a1l n LEU 225 N 2.35 -0.33 -0.05 2.11 4.32 -0.78 -0.38 117.00 124.23 3a1l n LEU 225 Ca -0.14 1.51 -0.08 0.00 -0.02 0.00 0.00 56.01 57.28 3a1l n LEU 225 Cb 0.57 -0.45 -0.01 0.00 -1.62 0.00 0.00 43.42 41.90 3a1l n LEU 225 CO 0.04 -1.44 0.74 -0.07 -1.22 0.00 0.00 177.39 175.44 3a1l h LEU 226 N 0.00 -0.55 -0.97 2.23 -0.00 -1.61 0.99 115.31 115.40 3a1l h LEU 226 Ca 0.41 0.11 -0.06 0.00 -0.00 0.00 0.00 57.88 58.34 3a1l h LEU 226 Cb 0.63 0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 41.55 3a1l h LEU 226 CO -0.90 -0.21 0.06 0.74 -0.00 0.00 0.00 178.44 178.13 3a1l h THR 227 N -0.16 1.23 -0.29 0.22 2.02 -0.97 -1.27 112.91 113.69 3a1l h THR 227 Ca 0.13 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 3a1l h THR 227 Cb 0.36 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 3a1l h THR 227 CO -0.33 0.33 0.15 0.25 0.37 0.00 0.00 175.52 176.29 3a1l h LEU 228 N 0.76 0.37 0.80 2.58 7.12 -0.04 -1.05 115.31 125.85 3a1l h LEU 228 Ca 0.16 -0.10 -0.04 0.00 0.13 0.00 0.00 57.88 58.03 3a1l h LEU 228 Cb 0.38 -0.09 0.01 0.00 -0.53 0.00 0.00 40.66 40.42 3a1l h LEU 228 CO 0.01 0.36 -0.38 -0.07 -0.13 0.00 0.00 178.44 178.23 3a1l h LEU 229 N 0.35 -0.91 -2.21 2.25 4.07 -0.57 -2.17 115.31 116.12 3a1l h LEU 229 Ca 0.10 0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.14 3a1l h LEU 229 Cb 0.08 0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 3a1l h LEU 229 CO -0.02 -0.58 0.22 0.58 -1.08 0.00 0.00 178.44 177.57 3a1l h VAL 230 N -1.20 0.44 -0.24 1.22 2.07 -1.25 0.26 116.25 117.55 3a1l h VAL 230 Ca -0.11 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.28 3a1l h VAL 230 Cb 0.84 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 3a1l h VAL 230 CO 0.18 0.00 -0.37 -0.09 0.02 0.00 0.00 177.57 177.31 3a1l h ARG 231 N 0.00 0.68 0.27 1.57 1.12 -0.88 -2.51 114.38 114.62 3a1l h ARG 231 Ca 0.09 -0.41 -0.01 0.00 -1.11 0.00 0.00 59.98 58.55 3a1l h ARG 231 Cb 0.53 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.52 3a1l h ARG 231 CO -0.00 1.02 -0.26 0.00 -3.11 0.00 0.00 179.97 177.62 3a1l h ALA 232 N 0.65 -0.97 -0.93 2.80 0.00 -0.31 -2.63 119.26 117.87 3a1l h ALA 232 Ca 0.02 -0.10 0.28 0.00 0.00 0.00 0.00 54.91 55.11 3a1l h ALA 232 Cb 0.96 0.49 -0.16 0.00 0.00 0.00 0.00 17.79 19.08 3a1l h ALA 232 CO 0.09 -0.98 0.28 -0.09 0.00 0.00 0.00 179.25 178.55 3a1l h ARG 233 N -0.52 0.16 0.00 0.00 2.43 -1.54 0.53 114.38 115.44 3a1l h ARG 233 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3a1l h ARG 233 Cb 0.45 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3a1l h ARG 233 CO -0.03 0.10 0.00 -0.25 -1.51 0.00 0.00 179.97 178.29 3a1l n ASP 234 N -5.25 0.35 -2.45 -3.80 8.00 -0.95 -3.52 116.55 108.93 3a1l n ASP 234 Ca 0.25 0.56 -0.23 0.00 0.71 0.00 0.00 54.79 56.08 3a1l n ASP 234 Cb 0.81 -0.64 0.01 0.00 -0.02 0.00 0.00 41.12 41.28 3a1l n ASP 234 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3a1l n THR 235 N -1.86 2.13 -3.10 -3.53 -2.24 0.05 -4.94 114.28 100.80 3a1l n THR 235 Ca 0.05 -4.44 -0.14 0.00 -2.27 0.00 0.00 64.05 57.25 3a1l n THR 235 Cb 0.29 -0.83 0.05 0.00 -2.10 0.00 0.00 70.33 67.74 3a1l n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a1l n GLY 236 N -0.46 0.00 3.54 3.38 0.00 -1.20 -4.98 105.19 105.47 3a1l n GLY 236 Ca 0.34 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3a1l n GLY 236 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a1l s SER 237 N -3.38 4.37 -1.37 1.61 0.01 -0.46 -4.95 113.70 109.54 3a1l s SER 237 Ca 0.26 -0.10 -0.16 0.00 1.31 0.00 0.00 55.95 57.26 3a1l s SER 237 Cb -0.12 -1.02 0.06 0.00 0.21 0.00 0.00 66.02 65.15 3a1l s SER 237 CO 0.45 0.35 1.96 -0.81 0.41 0.00 0.00 173.24 175.60 3a1l n PRO 238 N 2.24 3.05 -3.80 12.44 -0.04 -1.26 -4.12 135.00 143.52 3a1l n PRO 238 Ca -0.18 -2.99 -0.13 0.00 -0.04 0.00 0.00 63.50 60.17 3a1l n PRO 238 Cb 0.53 -3.40 -0.11 0.00 -0.04 0.00 0.00 33.50 30.48 3a1l n PRO 238 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3a1l s LEU 239 N 3.25 1.13 0.62 1.53 0.05 -1.26 -5.09 118.68 118.91 3a1l s LEU 239 Ca 0.51 0.37 0.01 0.00 0.05 0.00 0.00 54.13 55.06 3a1l s LEU 239 Cb 0.08 0.83 0.07 0.00 -2.05 0.00 0.00 46.19 45.13 3a1l s LEU 239 CO 0.00 -0.14 0.86 -0.94 -0.55 0.00 0.00 176.35 175.58 3a1l s SER 240 N -0.16 4.90 0.23 1.48 1.04 -1.26 -4.85 113.70 115.08 3a1l s SER 240 Ca -0.03 -0.21 -0.00 0.00 0.48 0.00 0.00 55.95 56.19 3a1l s SER 240 Cb -0.03 -0.46 0.24 0.00 0.10 0.00 0.00 66.02 65.88 3a1l s SER 240 CO 0.01 -1.44 1.60 -0.37 0.98 0.00 0.00 173.24 174.02 3a1l h VAL 241 N -0.16 1.31 0.00 5.02 -1.51 -2.01 0.22 116.25 119.12 3a1l h VAL 241 Ca -0.39 -1.61 -0.03 0.00 -1.23 0.00 0.00 66.70 63.44 3a1l h VAL 241 Cb 1.28 1.62 -0.00 0.00 -2.13 0.00 0.00 31.29 32.06 3a1l h VAL 241 CO 0.47 0.50 -0.16 0.44 -1.23 0.00 0.00 177.57 177.59 3a1l h ASP 242 N 0.41 0.00 0.12 4.19 3.32 -1.95 1.00 116.42 123.50 3a1l h ASP 242 Ca 0.03 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.84 3a1l h ASP 242 Cb 0.92 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.50 3a1l h ASP 242 CO 0.08 0.16 -1.02 1.23 -1.72 0.00 0.00 179.24 177.97 3a1l h GLY 243 N 0.74 0.54 1.00 2.75 0.00 -1.51 -2.54 103.07 104.05 3a1l h GLY 243 Ca -0.00 -1.19 -0.14 0.00 0.00 0.00 0.00 47.33 46.00 3a1l h GLY 243 CO 0.02 1.04 -0.38 -2.22 0.00 0.00 0.00 176.54 175.00 3a1l h ILE 244 N -0.00 1.30 -0.39 2.60 2.04 0.17 -2.26 117.51 120.97 3a1l h ILE 244 Ca -0.16 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.11 3a1l h ILE 244 Cb 1.75 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 39.49 3a1l h ILE 244 CO 0.19 0.50 0.20 0.58 0.00 0.00 0.00 178.15 179.63 3a1l h VAL 245 N 0.46 1.16 -0.55 1.67 2.07 0.92 -1.28 116.25 120.70 3a1l h VAL 245 Ca 0.03 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 3a1l h VAL 245 Cb 0.97 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3a1l h VAL 245 CO 0.09 0.17 -0.04 1.23 0.02 0.00 0.00 177.57 179.04 3a1l h GLY 246 N 0.49 1.08 1.32 2.17 0.00 -1.48 -2.01 103.07 104.65 3a1l h GLY 246 Ca 0.13 -0.83 0.01 0.00 0.00 0.00 0.00 47.33 46.64 3a1l h GLY 246 CO -0.02 0.76 0.46 -0.84 0.00 0.00 0.00 176.54 176.90 3a1l h THR 247 N 0.88 1.18 -0.21 4.70 2.02 -1.20 0.41 112.91 120.69 3a1l h THR 247 Ca 0.15 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.96 3a1l h THR 247 Cb 0.59 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 3a1l h THR 247 CO 0.04 0.17 -0.04 0.00 0.37 0.00 0.00 175.52 176.06 3a1l h VAL 249 N 0.13 1.16 -0.75 0.00 2.07 -0.72 -0.62 116.25 117.52 3a1l h VAL 249 Ca 0.05 -0.41 0.06 0.00 0.82 0.00 0.00 66.70 67.23 3a1l h VAL 249 Cb 0.48 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 3a1l h VAL 249 CO 0.02 0.17 0.44 -0.74 0.02 0.00 0.00 177.57 177.48 3a1l h HIS 250 N 0.58 0.81 -0.11 1.57 6.17 -0.10 -0.79 115.15 123.29 3a1l h HIS 250 Ca 0.16 0.03 -0.22 0.00 0.71 0.00 0.00 60.37 61.04 3a1l h HIS 250 Cb 0.05 -0.26 0.01 0.00 2.52 0.00 0.00 27.41 29.73 3a1l h HIS 250 CO -0.02 0.40 -0.81 -0.07 0.71 0.00 0.00 177.93 178.14 3a1l h LEU 251 N 0.81 0.80 -0.64 0.26 4.07 -0.96 0.11 115.31 119.75 3a1l h LEU 251 Ca 0.33 -0.54 -0.02 0.00 0.08 0.00 0.00 57.88 57.73 3a1l h LEU 251 Cb 0.19 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 3a1l h LEU 251 CO -0.18 1.33 0.31 0.25 -1.08 0.00 0.00 178.44 179.07 3a1l h LEU 252 N 0.44 0.84 0.10 1.67 5.85 -0.74 1.29 115.31 124.77 3a1l h LEU 252 Ca -0.06 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 3a1l h LEU 252 Cb 1.43 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3a1l h LEU 252 CO 0.16 0.74 -0.05 0.71 -0.34 0.00 0.00 178.44 179.65 3a1l h THR 253 N 0.89 0.81 -0.27 1.05 1.35 -1.17 -3.17 112.91 112.40 3a1l h THR 253 Ca 0.22 -1.33 0.08 0.00 -0.55 0.00 0.00 66.41 64.83 3a1l h THR 253 Cb 0.12 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 67.96 3a1l h THR 253 CO -0.03 0.24 0.20 0.00 -0.25 0.00 0.00 175.52 175.68 3a1l h ALA 254 N -0.44 2.22 0.00 6.62 0.00 -0.76 -0.97 119.26 125.92 3a1l h ALA 254 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a1l h ALA 254 Cb 0.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3a1l h ALA 254 CO 0.02 -0.34 0.00 0.78 0.00 0.00 0.00 179.25 179.71 3a1l h GLY 255 N 0.00 0.00 0.00 0.00 0.00 0.17 -3.42 103.07 99.82 3a1l h GLY 255 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3a1l h GLY 255 CO -0.00 0.00 -0.02 -2.39 0.00 0.00 0.00 176.54 174.13 3a1l n HIS 256 N -2.59 0.00 -0.19 5.60 1.44 -0.47 -4.70 115.22 114.31 3a1l n HIS 256 Ca 0.02 0.00 0.30 0.00 -2.01 0.00 0.00 57.72 56.03 3a1l n HIS 256 Cb 0.29 0.09 0.72 0.00 0.12 0.00 0.00 29.99 31.21 3a1l n HIS 256 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 3a1l h GLU 257 N 0.00 0.00 0.18 -1.40 5.08 -1.55 0.48 114.58 117.36 3a1l h GLU 257 Ca 0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 3a1l h GLU 257 Cb 0.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.28 3a1l h GLU 257 CO 0.00 0.00 -1.66 1.79 -1.00 0.00 0.00 179.01 178.14 3a1l h THR 258 N 0.00 1.04 -0.62 1.13 1.35 -1.80 -2.95 112.91 111.06 3a1l h THR 258 Ca 0.45 -2.62 -0.09 0.00 -0.55 0.00 0.00 66.41 63.60 3a1l h THR 258 Cb 1.94 2.80 -0.02 0.00 -1.73 0.00 0.00 68.15 71.14 3a1l h THR 258 CO -0.00 0.84 0.04 0.74 -0.25 0.00 0.00 175.52 176.89 3a1l h THR 259 N 0.10 1.26 0.41 6.82 2.02 -0.92 -1.74 112.91 120.87 3a1l h THR 259 Ca -0.30 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 65.75 3a1l h THR 259 Cb 2.09 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 3a1l h THR 259 CO 0.19 0.40 -0.20 0.74 0.37 0.00 0.00 175.52 177.03 3a1l h THR 260 N 0.98 0.60 0.00 3.16 2.02 -0.33 -1.06 112.91 118.27 3a1l h THR 260 Ca 0.18 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3a1l h THR 260 Cb 0.51 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3a1l h THR 260 CO 0.02 0.04 -0.01 0.78 0.37 0.00 0.00 175.52 176.72 3a1l h ASN 261 N -0.66 0.00 -0.00 4.18 2.35 -1.45 -1.23 115.58 118.77 3a1l h ASN 261 Ca -0.06 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3a1l h ASN 261 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3a1l h ASN 261 CO 0.09 0.01 -0.02 0.15 -1.65 0.00 0.00 177.43 176.01 3a1l h PHE 262 N 0.00 0.03 -0.31 1.19 3.57 -1.07 -2.07 116.94 118.28 3a1l h PHE 262 Ca -0.00 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.53 3a1l h PHE 262 Cb 0.02 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3a1l h PHE 262 CO 0.00 0.69 0.03 -0.07 -2.23 0.00 0.00 178.31 176.74 3a1l h LEU 263 N -0.64 -0.05 0.36 0.59 3.38 -0.70 0.12 115.31 118.37 3a1l h LEU 263 Ca -0.00 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3a1l h LEU 263 Cb 0.69 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3a1l h LEU 263 CO 0.00 0.01 -0.17 0.00 0.09 0.00 0.00 178.44 178.37 3a1l h ALA 264 N 1.25 -0.48 0.00 1.53 0.00 -1.32 -2.28 119.26 117.96 3a1l h ALA 264 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a1l h ALA 264 Cb 0.18 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a1l h ALA 264 CO -0.22 -0.76 0.00 0.87 0.00 0.00 0.00 179.25 179.14 3a1l h LYS 265 N -0.50 0.00 -0.01 0.00 1.57 -1.19 -1.21 116.57 115.23 3a1l h LYS 265 Ca -0.05 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.57 3a1l h LYS 265 Cb 0.38 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3a1l h LYS 265 CO 0.08 0.00 -0.74 0.00 -0.57 0.00 0.00 179.45 178.22 3a1l h ALA 266 N 2.12 0.75 -0.07 3.86 0.00 -0.19 -2.05 119.26 123.69 3a1l h ALA 266 Ca 0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 54.91 54.09 3a1l h ALA 266 Cb 0.26 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.95 3a1l h ALA 266 CO 0.00 0.90 -0.55 0.28 0.00 0.00 0.00 179.25 179.87 3a1l h VAL 267 N 0.03 1.38 -0.68 0.00 2.07 -0.92 -1.99 116.25 116.14 3a1l h VAL 267 Ca -0.01 -1.92 -0.03 0.00 0.82 0.00 0.00 66.70 65.55 3a1l h VAL 267 Cb 1.31 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 33.38 3a1l h VAL 267 CO 0.10 0.57 0.29 -0.07 0.02 0.00 0.00 177.57 178.48 3a1l h LEU 268 N 0.06 0.90 -0.00 2.57 -0.00 -1.44 -1.26 115.31 116.14 3a1l h LEU 268 Ca -0.05 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.71 3a1l h LEU 268 Cb 1.22 -0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 41.65 3a1l h LEU 268 CO 0.11 0.79 0.00 0.74 -0.00 0.00 0.00 178.44 180.09 3a1l h THR 269 N 0.98 1.23 -0.59 0.22 2.02 -1.38 -2.55 112.91 112.85 3a1l h THR 269 Ca 0.23 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.69 3a1l h THR 269 Cb 0.16 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 3a1l h THR 269 CO -0.02 0.18 0.21 -0.07 0.37 0.00 0.00 175.52 176.19 3a1l h LEU 270 N -0.29 0.80 -1.65 2.58 4.07 -1.18 -1.82 115.31 117.81 3a1l h LEU 270 Ca 0.00 -0.11 -0.04 0.00 0.08 0.00 0.00 57.88 57.81 3a1l h LEU 270 Cb 0.29 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3a1l h LEU 270 CO 0.00 0.73 -0.18 0.03 -1.08 0.00 0.00 178.44 177.95 3a1l h ARG 271 N 0.85 0.00 -0.08 1.13 3.08 -1.18 -0.69 114.38 117.48 3a1l h ARG 271 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3a1l h ARG 271 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3a1l h ARG 271 CO -0.01 0.18 0.00 0.00 -1.07 0.00 0.00 179.97 179.06 3a1l n ALA 272 N -2.29 2.54 -3.10 0.04 0.00 -0.74 -4.24 120.51 112.72 3a1l n ALA 272 Ca -0.01 -0.53 -0.18 0.00 0.00 0.00 0.00 53.44 52.72 3a1l n ALA 272 Cb 0.30 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.65 3a1l n ALA 272 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3a1l n HIS 273 N 0.43 -0.55 -0.24 0.00 8.25 -0.29 -5.00 115.22 117.82 3a1l n HIS 273 Ca 0.18 -3.42 0.24 0.00 -0.26 0.00 0.00 57.72 54.45 3a1l n HIS 273 Cb 0.39 -0.01 0.59 0.00 1.12 0.00 0.00 29.99 32.07 3a1l n HIS 273 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a1l h ARG 274 N 3.27 0.25 -0.97 -0.41 2.47 -1.67 -0.89 114.38 116.42 3a1l h ARG 274 Ca 0.05 -0.02 0.04 0.00 -1.26 0.00 0.00 59.98 58.79 3a1l h ARG 274 Cb 0.97 -0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 29.18 3a1l h ARG 274 CO 0.43 0.17 0.64 0.38 0.56 0.00 0.00 179.97 182.14 3a1l h ASP 275 N 0.26 1.06 -0.01 7.04 2.03 -1.94 0.15 116.42 125.01 3a1l h ASP 275 Ca 0.49 -0.01 -0.02 0.00 -0.73 0.00 0.00 57.03 56.76 3a1l h ASP 275 Cb 1.47 -0.24 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3a1l h ASP 275 CO -0.14 0.72 -0.07 0.58 -1.03 0.00 0.00 179.24 179.30 3a1l h VAL 276 N 1.23 1.56 -0.92 4.15 2.07 -1.51 -2.60 116.25 120.23 3a1l h VAL 276 Ca 0.39 -1.75 0.11 0.00 0.82 0.00 0.00 66.70 66.26 3a1l h VAL 276 Cb 0.00 2.72 -0.07 0.00 -1.52 0.00 0.00 31.29 32.42 3a1l h VAL 276 CO -0.12 0.46 0.59 0.25 0.02 0.00 0.00 177.57 178.77 3a1l h LEU 277 N -0.64 0.80 -0.89 2.57 6.46 -1.23 0.38 115.31 122.76 3a1l h LEU 277 Ca -0.01 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 3a1l h LEU 277 Cb 0.80 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.59 3a1l h LEU 277 CO 0.01 0.45 0.00 0.44 -0.62 0.00 0.00 178.44 178.72 3a1l h ASP 278 N 0.87 0.00 0.01 1.25 3.32 -0.72 -2.40 116.42 118.75 3a1l h ASP 278 Ca 0.44 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.46 3a1l h ASP 278 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3a1l h ASP 278 CO -0.20 0.00 -0.11 -0.33 -1.72 0.00 0.00 179.24 176.88 3a1l h GLU 279 N 0.00 0.05 -0.84 3.56 4.39 0.10 -3.14 114.58 118.70 3a1l h GLU 279 Ca 0.00 -0.07 0.07 0.00 0.34 0.00 0.00 59.36 59.70 3a1l h GLU 279 Cb 0.61 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.22 3a1l h GLU 279 CO 0.00 0.94 0.51 -0.07 -1.16 0.00 0.00 179.01 179.23 3a1l h LEU 280 N -0.80 0.77 -0.96 1.33 4.07 -1.00 0.34 115.31 119.06 3a1l h LEU 280 Ca -0.02 0.03 0.03 0.00 0.08 0.00 0.00 57.88 58.00 3a1l h LEU 280 Cb 0.99 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 42.55 3a1l h LEU 280 CO 0.02 0.47 0.63 0.03 -1.08 0.00 0.00 178.44 178.51 3a1l h ARG 281 N 0.89 1.20 0.03 1.13 3.08 -1.52 -2.98 114.38 116.20 3a1l h ARG 281 Ca 0.38 -0.07 -0.26 0.00 0.07 0.00 0.00 59.98 60.10 3a1l h ARG 281 Cb 0.25 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3a1l h ARG 281 CO -0.20 0.79 -1.33 1.79 -1.07 0.00 0.00 179.97 179.95 3a1l h THR 282 N 1.23 1.33 -3.24 2.04 1.35 -1.29 -3.42 112.91 110.92 3a1l h THR 282 Ca 0.37 -3.07 -0.63 0.00 -0.55 0.00 0.00 66.41 62.54 3a1l h THR 282 Cb -0.04 2.70 -0.41 0.00 -1.73 0.00 0.00 68.15 68.67 3a1l h THR 282 CO -0.11 0.79 -0.64 -0.89 -0.25 0.00 0.00 175.52 174.42 3a1l s THR 283 N -2.66 2.40 0.28 6.82 2.01 0.11 -4.98 115.64 119.62 3a1l s THR 283 Ca -0.03 -3.36 0.02 0.00 0.31 0.00 0.00 61.69 58.63 3a1l s THR 283 Cb 0.09 -2.65 0.27 0.00 0.01 0.00 0.00 72.50 70.22 3a1l s THR 283 CO 0.83 -0.86 1.72 -0.65 -0.69 0.00 0.00 174.62 174.97 3a1l h PRO 284 N 6.31 0.47 0.00 4.92 0.11 -1.82 -2.02 132.00 139.96 3a1l h PRO 284 Ca -0.02 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3a1l h PRO 284 Cb 0.87 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3a1l h PRO 284 CO 0.65 0.31 0.00 0.39 -0.21 0.00 0.00 178.00 179.14 3a1l n GLU 285 N -4.98 0.16 0.16 1.05 -0.58 -1.26 -2.08 120.64 113.11 3a1l n GLU 285 Ca 0.20 0.52 0.13 0.00 -0.42 0.00 0.00 57.16 57.59 3a1l n GLU 285 Cb 0.57 -1.89 0.45 0.00 -0.57 0.00 0.00 31.44 30.00 3a1l n GLU 285 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 3a1l h SER 286 N 0.00 0.00 -0.61 1.62 0.02 -1.72 -3.36 113.55 109.50 3a1l h SER 286 Ca 0.00 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.06 3a1l h SER 286 Cb 0.18 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 62.61 3a1l h SER 286 CO 0.00 0.00 -0.34 0.74 -1.14 0.00 0.00 176.83 176.09 3a1l h THR 287 N 0.00 0.16 -0.47 -2.27 2.02 -1.59 0.37 112.91 111.13 3a1l h THR 287 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.26 3a1l h THR 287 Cb 0.61 0.16 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 3a1l h THR 287 CO 0.00 0.00 0.05 -0.65 0.37 0.00 0.00 175.52 175.29 3a1l h PRO 288 N -0.15 0.17 -0.60 6.66 0.11 -1.84 0.12 132.00 136.47 3a1l h PRO 288 Ca 0.24 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 3a1l h PRO 288 Cb 0.55 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.60 3a1l h PRO 288 CO -0.69 0.11 0.24 0.00 -0.21 0.00 0.00 178.00 177.44 3a1l h ALA 289 N 1.39 0.77 -0.49 -0.75 0.00 -1.60 -2.79 119.26 115.79 3a1l h ALA 289 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3a1l h ALA 289 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3a1l h ALA 289 CO -0.34 0.39 0.21 0.00 0.00 0.00 0.00 179.25 179.50 3a1l h ALA 290 N 1.09 0.63 -0.66 0.00 0.00 -0.16 -2.48 119.26 117.68 3a1l h ALA 290 Ca 0.20 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.07 3a1l h ALA 290 Cb 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3a1l h ALA 290 CO -0.02 0.23 0.44 0.28 0.00 0.00 0.00 179.25 180.18 3a1l h VAL 291 N 0.65 0.89 -0.16 0.00 2.07 -0.59 1.00 116.25 120.10 3a1l h VAL 291 Ca 0.16 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3a1l h VAL 291 Cb 0.17 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3a1l h VAL 291 CO -0.02 0.09 0.05 -0.08 0.02 0.00 0.00 177.57 177.63 3a1l h GLU 292 N 0.48 0.26 -0.26 1.57 4.57 -1.19 -1.67 114.58 118.34 3a1l h GLU 292 Ca 0.31 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 58.39 3a1l h GLU 292 Cb 0.56 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 3a1l h GLU 292 CO -0.10 0.39 0.01 0.93 -1.18 0.00 0.00 179.01 179.06 3a1l h GLU 293 N 0.08 0.45 -0.49 1.92 4.39 -0.99 -1.35 114.58 118.59 3a1l h GLU 293 Ca 0.05 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.66 3a1l h GLU 293 Cb 0.24 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 3a1l h GLU 293 CO -0.00 0.61 0.33 -0.07 -1.16 0.00 0.00 179.01 178.72 3a1l h LEU 294 N 0.24 0.40 -0.02 1.33 3.38 -0.87 0.41 115.31 120.20 3a1l h LEU 294 Ca 0.08 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3a1l h LEU 294 Cb 0.40 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3a1l h LEU 294 CO 0.01 0.27 -0.04 -0.03 0.09 0.00 0.00 178.44 178.74 3a1l h MET 295 N 0.46 0.05 -0.12 1.13 4.05 -0.98 -2.57 114.93 116.95 3a1l h MET 295 Ca 0.21 -0.04 -0.23 0.00 -0.28 0.00 0.00 59.70 59.37 3a1l h MET 295 Cb 0.24 0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.06 3a1l h MET 295 CO -0.05 0.63 -0.81 0.07 0.23 0.00 0.00 176.91 176.97 3a1l h ARG 296 N -0.51 0.73 -0.75 0.39 -0.00 -0.52 -2.52 114.38 111.20 3a1l h ARG 296 Ca -0.00 -0.62 0.17 0.00 -0.00 0.00 0.00 59.98 59.53 3a1l h ARG 296 Cb 0.63 0.14 -0.13 0.00 -0.00 0.00 0.00 29.97 30.61 3a1l h ARG 296 CO 0.01 1.23 0.07 -0.92 -0.00 0.00 0.00 179.97 180.36 3a1l h TYR 297 N 0.49 0.06 -1.12 4.08 3.20 -0.26 -3.35 116.97 120.08 3a1l h TYR 297 Ca -0.06 0.05 -0.40 0.00 3.14 0.00 0.00 58.73 61.46 3a1l h TYR 297 Cb 1.44 0.09 -0.28 0.00 1.54 0.00 0.00 36.73 39.52 3a1l h TYR 297 CO 0.08 -0.20 -0.84 -3.47 -1.64 0.00 0.00 178.16 172.09 3a1l n ASP 298 N -5.29 -1.09 -4.67 -2.11 2.03 -0.97 -4.97 116.55 99.48 3a1l n ASP 298 Ca 0.14 -3.02 -0.40 0.00 0.52 0.00 0.00 54.79 52.03 3a1l n ASP 298 Cb 0.48 0.46 0.02 0.00 -0.72 0.00 0.00 41.12 41.37 3a1l n ASP 298 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3a1l n PRO 299 N 1.31 1.58 0.21 -0.67 -0.04 -0.95 -4.87 135.00 131.58 3a1l n PRO 299 Ca 0.16 0.57 0.09 0.00 -0.04 0.00 0.00 63.50 64.28 3a1l n PRO 299 Cb 0.59 -2.30 0.42 0.00 -0.04 0.00 0.00 33.50 32.18 3a1l n PRO 299 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3a1l h PRO 300 N 1.59 0.00 -4.47 0.54 0.11 -1.87 -3.40 132.00 124.50 3a1l h PRO 300 Ca -0.48 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 64.93 3a1l h PRO 300 Cb 1.32 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.11 3a1l h PRO 300 CO 0.57 0.25 -0.51 0.08 -0.21 0.00 0.00 178.00 178.18 3a1l s VAL 301 N -3.60 3.71 -0.22 3.15 1.01 -1.26 -0.47 120.40 122.71 3a1l s VAL 301 Ca 0.01 -1.72 0.18 0.00 0.00 0.00 0.00 61.98 60.44 3a1l s VAL 301 Cb 0.10 -3.39 0.08 0.00 0.00 0.00 0.00 36.38 33.17 3a1l s VAL 301 CO 0.65 -0.58 1.32 1.56 0.00 0.00 0.00 175.10 178.05 3a1l h GLN 302 N 8.23 0.00 -2.61 2.72 1.08 -1.53 -3.40 115.11 119.60 3a1l h GLN 302 Ca -0.18 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.91 3a1l h GLN 302 Cb 1.06 0.00 -0.25 0.00 -0.05 0.00 0.00 27.48 28.25 3a1l h GLN 302 CO 0.73 0.29 -0.23 0.00 -0.95 0.00 0.00 178.83 178.67 3a1l s ALA 303 N -3.06 -1.13 0.07 3.87 0.00 -1.23 -1.31 121.76 118.97 3a1l s ALA 303 Ca 0.03 1.47 0.06 0.00 0.00 0.00 0.00 51.96 53.52 3a1l s ALA 303 Cb 0.07 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 3a1l s ALA 303 CO 0.75 -0.25 -0.17 0.14 0.00 0.00 0.00 175.76 176.22 3a1l s VAL 304 N 0.90 1.39 0.06 0.00 -7.23 -1.12 -4.76 120.40 109.64 3a1l s VAL 304 Ca -0.05 -1.29 0.09 0.00 -1.81 0.00 0.00 61.98 58.92 3a1l s VAL 304 Cb -0.06 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.58 3a1l s VAL 304 CO -0.07 -0.05 -0.26 0.42 -0.31 0.00 0.00 175.10 174.83 3a1l s THR 305 N -1.06 2.24 0.25 5.32 -4.23 -1.26 -1.11 115.64 115.78 3a1l s THR 305 Ca 0.03 -1.44 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 3a1l s THR 305 Cb -0.09 -1.90 -0.05 0.00 1.34 0.00 0.00 72.50 71.79 3a1l s THR 305 CO 0.03 0.31 0.02 -0.13 -0.54 0.00 0.00 174.62 174.30 3a1l s ARG 306 N -1.42 1.38 -0.05 3.99 1.81 -0.07 -4.87 118.95 119.72 3a1l s ARG 306 Ca 0.13 -1.71 0.03 0.00 -1.72 0.00 0.00 55.73 52.45 3a1l s ARG 306 Cb -0.10 -0.61 0.01 0.00 -0.45 0.00 0.00 34.95 33.80 3a1l s ARG 306 CO 0.03 -0.13 -0.13 -1.58 -0.68 0.00 0.00 175.30 172.81 3a1l s TRP 307 N -3.44 1.46 0.00 -0.53 0.52 0.21 -0.94 118.94 116.22 3a1l s TRP 307 Ca 0.30 -0.49 -0.30 0.00 0.02 0.00 0.00 56.10 55.63 3a1l s TRP 307 Cb 0.06 -1.04 -0.06 0.00 -1.15 0.00 0.00 33.47 31.28 3a1l s TRP 307 CO 0.10 -0.23 1.45 0.00 0.02 0.00 0.00 176.95 178.29 3a1l s ALA 308 N 0.44 3.60 -2.51 0.98 0.00 -0.51 -0.28 121.76 123.49 3a1l s ALA 308 Ca -0.10 0.92 0.25 0.00 0.00 0.00 0.00 51.96 53.02 3a1l s ALA 308 Cb -0.14 -3.62 0.34 0.00 0.00 0.00 0.00 23.12 19.70 3a1l s ALA 308 CO 0.03 -0.98 1.32 0.66 0.00 0.00 0.00 175.76 176.79 3a1l n TYR 309 N 5.56 0.00 -3.58 0.00 4.02 -0.85 -1.10 117.16 121.21 3a1l n TYR 309 Ca 0.14 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.97 3a1l n TYR 309 Cb 0.43 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.72 3a1l n TYR 309 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 3a1l s GLU 310 N -2.19 0.69 0.57 -0.72 -1.05 -1.26 -4.89 118.70 109.85 3a1l s GLU 310 Ca 0.27 -0.29 -0.20 0.00 -0.15 0.00 0.00 54.97 54.59 3a1l s GLU 310 Cb 0.20 0.29 -0.04 0.00 -0.44 0.00 0.00 34.13 34.14 3a1l s GLU 310 CO 0.41 -0.31 1.26 -0.25 0.95 0.00 0.00 175.26 177.32 3a1l n ASP 311 N -0.26 2.14 -3.83 0.83 8.00 -1.26 -4.10 116.55 118.07 3a1l n ASP 311 Ca -0.06 0.92 -0.12 0.00 0.71 0.00 0.00 54.79 56.24 3a1l n ASP 311 Cb 0.61 -1.53 -0.09 0.00 -0.02 0.00 0.00 41.12 40.09 3a1l n ASP 311 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3a1l s ILE 312 N -1.35 0.08 -0.30 0.53 2.07 0.17 -4.90 121.20 117.50 3a1l s ILE 312 Ca 0.74 -0.63 -0.04 0.00 -1.41 0.00 0.00 60.65 59.31 3a1l s ILE 312 Cb -0.42 -0.51 0.03 0.00 0.13 0.00 0.00 42.46 41.69 3a1l s ILE 312 CO 0.47 -0.35 0.04 -0.60 -1.91 0.00 0.00 174.94 172.59 3a1l s ARG 313 N -1.42 2.78 -0.11 3.50 6.06 -1.26 0.16 118.95 128.67 3a1l s ARG 313 Ca -0.14 -1.04 0.03 0.00 -2.50 0.00 0.00 55.73 52.08 3a1l s ARG 313 Cb -0.07 -3.26 0.01 0.00 0.06 0.00 0.00 34.95 31.69 3a1l s ARG 313 CO 0.02 -0.52 -0.21 -1.17 -2.50 0.00 0.00 175.30 170.92 3a1l s LEU 314 N 1.39 2.02 0.00 -0.88 2.96 -0.48 -4.97 118.68 118.72 3a1l s LEU 314 Ca -0.01 -0.54 0.00 0.00 -0.22 0.00 0.00 54.13 53.36 3a1l s LEU 314 Cb -0.18 -1.34 0.00 0.00 0.50 0.00 0.00 46.19 45.17 3a1l s LEU 314 CO 0.00 0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.74 3a1l n GLY 315 N 3.83 1.95 1.63 7.98 0.00 -1.26 -2.14 105.19 117.19 3a1l n GLY 315 Ca -0.20 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 3a1l n GLY 315 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a1l n ASP 316 N 5.39 4.17 -4.24 1.61 5.75 -1.26 -4.98 116.55 122.99 3a1l n ASP 316 Ca 0.00 -3.79 -0.19 0.00 -0.01 0.00 0.00 54.79 50.80 3a1l n ASP 316 Cb 0.00 -0.53 -0.11 0.00 -1.03 0.00 0.00 41.12 39.45 3a1l n ASP 316 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3a1l s HIS 317 N -3.49 1.41 -0.22 2.11 3.76 -0.91 -5.13 115.29 112.83 3a1l s HIS 317 Ca 0.49 -0.52 -0.07 0.00 -0.15 0.00 0.00 55.06 54.81 3a1l s HIS 317 Cb 0.42 -0.75 -0.03 0.00 1.11 0.00 0.00 32.58 33.33 3a1l s HIS 317 CO 0.00 0.14 0.05 0.34 -0.85 0.00 0.00 174.74 174.42 3a1l s ASP 318 N -2.29 5.13 -0.44 1.40 2.15 -1.26 -1.39 116.67 119.97 3a1l s ASP 318 Ca 0.07 -0.15 -0.13 0.00 0.43 0.00 0.00 52.55 52.77 3a1l s ASP 318 Cb -0.06 -1.90 0.07 0.00 -0.30 0.00 0.00 42.92 40.73 3a1l s ASP 318 CO 0.03 0.04 0.33 -0.63 -0.17 0.00 0.00 175.17 174.77 3a1l s ILE 319 N 1.17 4.89 0.43 4.11 1.01 0.43 -4.97 121.20 128.27 3a1l s ILE 319 Ca 0.04 -1.11 -0.26 0.00 0.00 0.00 0.00 60.65 59.32 3a1l s ILE 319 Cb -0.14 -3.91 -0.08 0.00 0.01 0.00 0.00 42.46 38.33 3a1l s ILE 319 CO 0.03 -0.51 1.34 -2.84 0.00 0.00 0.00 174.94 172.96 3a1l s PRO 320 N 1.57 3.85 0.14 2.79 0.02 -1.26 -0.66 135.00 141.45 3a1l s PRO 320 Ca 0.04 2.24 -0.34 0.00 0.02 0.00 0.00 61.00 62.95 3a1l s PRO 320 Cb -0.23 -2.70 -0.16 0.00 0.02 0.00 0.00 34.50 31.42 3a1l s PRO 320 CO 0.06 -0.62 1.18 -2.13 -0.33 0.00 0.00 177.00 175.15 3a1l n ARG 321 N -0.02 1.03 -0.01 5.54 0.00 -1.26 -1.01 116.66 120.93 3a1l n ARG 321 Ca 0.04 0.37 0.00 0.00 -0.00 0.00 0.00 57.85 58.26 3a1l n ARG 321 Cb 0.43 -1.88 0.00 0.00 0.00 0.00 0.00 32.46 31.01 3a1l n ARG 321 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3a1l n GLY 322 N 2.10 0.20 3.79 5.14 0.00 -0.26 -4.93 105.19 111.23 3a1l n GLY 322 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3a1l n GLY 322 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a1l s SER 323 N -2.35 5.63 -0.18 1.61 0.01 -0.18 -4.76 113.70 113.49 3a1l s SER 323 Ca 0.00 1.90 -0.06 0.00 1.31 0.00 0.00 55.95 59.10 3a1l s SER 323 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 3a1l s SER 323 CO 0.00 -1.27 0.03 -0.60 0.41 0.00 0.00 173.24 171.81 3a1l s ARG 324 N -3.96 3.85 -0.10 12.44 3.52 -1.03 -1.42 118.95 132.26 3a1l s ARG 324 Ca 0.65 -0.41 0.03 0.00 -0.13 0.00 0.00 55.73 55.87 3a1l s ARG 324 Cb -0.18 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.08 3a1l s ARG 324 CO 0.36 0.22 -0.20 0.08 -0.81 0.00 0.00 175.30 174.96 3a1l s VAL 325 N 0.47 2.46 -0.20 7.11 1.01 -0.12 -0.60 120.40 130.54 3a1l s VAL 325 Ca 0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 3a1l s VAL 325 Cb -0.13 -1.97 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3a1l s VAL 325 CO 0.01 0.55 -0.14 -0.69 0.00 0.00 0.00 175.10 174.84 3a1l s VAL 326 N 0.15 2.51 -0.40 2.92 1.01 0.80 -0.89 120.40 126.50 3a1l s VAL 326 Ca -0.11 -0.83 -0.18 0.00 0.00 0.00 0.00 61.98 60.86 3a1l s VAL 326 Cb -0.16 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.12 3a1l s VAL 326 CO 0.06 0.46 0.48 0.00 0.00 0.00 0.00 175.10 176.10 3a1l s ALA 327 N 1.34 3.43 -0.83 5.51 0.00 -0.26 -0.57 121.76 130.39 3a1l s ALA 327 Ca 0.05 -1.31 -0.25 0.00 0.00 0.00 0.00 51.96 50.44 3a1l s ALA 327 Cb -0.14 -3.05 0.04 0.00 0.00 0.00 0.00 23.12 19.97 3a1l s ALA 327 CO -0.09 -1.46 1.31 -0.51 0.00 0.00 0.00 175.76 175.00 3a1l s LEU 328 N 2.29 3.41 0.33 0.00 2.01 -0.80 -2.78 118.68 123.14 3a1l s LEU 328 Ca 0.15 -0.85 0.02 0.00 0.01 0.00 0.00 54.13 53.46 3a1l s LEU 328 Cb -0.16 -2.55 0.58 0.00 0.01 0.00 0.00 46.19 44.07 3a1l s LEU 328 CO 0.14 -1.68 1.93 -0.07 1.01 0.00 0.00 176.35 177.68 3a1l h LEU 329 N 12.77 0.67 -0.75 1.79 4.07 -1.44 -0.87 115.31 131.54 3a1l h LEU 329 Ca -0.11 -0.07 -0.12 0.00 0.08 0.00 0.00 57.88 57.66 3a1l h LEU 329 Cb 1.04 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 3a1l h LEU 329 CO 1.32 0.59 -0.29 1.23 -1.08 0.00 0.00 178.44 180.21 3a1l h GLY 330 N 0.86 0.68 0.79 0.83 0.00 -1.76 -1.91 103.07 102.56 3a1l h GLY 330 Ca 0.18 -0.60 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 3a1l h GLY 330 CO -0.02 0.55 -0.26 0.23 0.00 0.00 0.00 176.54 177.03 3a1l h SER 331 N 0.54 0.49 -0.78 0.19 0.87 -1.72 -3.20 113.55 109.94 3a1l h SER 331 Ca 0.07 -0.54 0.04 0.00 -1.23 0.00 0.00 61.79 60.13 3a1l h SER 331 Cb 0.77 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.54 3a1l h SER 331 CO 0.06 0.94 0.48 0.00 -0.53 0.00 0.00 176.83 177.79 3a1l h ALA 332 N 0.56 1.04 0.00 6.23 0.00 -1.08 -1.15 119.26 124.87 3a1l h ALA 332 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a1l h ALA 332 Cb 0.85 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3a1l h ALA 332 CO 0.06 0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.65 3a1l n ASN 333 N -4.64 0.53 -1.04 0.00 4.13 -0.73 -1.78 115.26 111.74 3a1l n ASN 333 Ca 0.10 0.69 -0.02 0.00 1.68 0.00 0.00 54.58 57.03 3a1l n ASN 333 Cb 0.13 -0.78 0.15 0.00 -1.54 0.00 0.00 39.78 37.74 3a1l n ASN 333 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3a1l n ARG 334 N -2.15 2.03 -2.73 3.52 1.74 -0.46 -4.75 116.66 113.86 3a1l n ARG 334 Ca 0.00 -3.47 -0.43 0.00 -0.77 0.00 0.00 57.85 53.19 3a1l n ARG 334 Cb 0.12 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.82 3a1l n ARG 334 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3a1l s ASP 335 N -3.28 6.75 0.58 0.55 -1.08 -0.73 -4.78 116.67 114.66 3a1l s ASP 335 Ca 0.41 0.70 0.27 0.00 -0.52 0.00 0.00 52.55 53.41 3a1l s ASP 335 Cb 0.38 -2.50 1.72 0.00 -1.46 0.00 0.00 42.92 41.06 3a1l s ASP 335 CO -0.05 -0.93 2.24 1.55 0.52 0.00 0.00 175.17 178.50 3a1l h PRO 336 N 8.48 0.00 0.00 4.34 0.13 -1.91 0.11 132.00 143.16 3a1l h PRO 336 Ca -0.22 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3a1l h PRO 336 Cb 1.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 3a1l h PRO 336 CO 1.02 0.00 -0.02 0.00 -0.23 0.00 0.00 178.00 178.77 3a1l h ALA 337 N 2.00 1.16 0.00 -0.56 0.00 -1.97 -3.28 119.26 116.61 3a1l h ALA 337 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a1l h ALA 337 Cb 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3a1l h ALA 337 CO -0.00 0.02 -0.89 -2.13 0.00 0.00 0.00 179.25 176.25 3a1l n ARG 338 N -3.34 2.10 -3.85 0.00 0.63 -0.21 -4.94 116.66 107.06 3a1l n ARG 338 Ca -0.02 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.61 3a1l n ARG 338 Cb 0.13 -0.94 -0.14 0.00 0.45 0.00 0.00 32.46 31.96 3a1l n ARG 338 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 3a1l s PHE 339 N -1.83 2.65 0.20 -0.14 0.08 0.23 -5.06 117.98 114.10 3a1l s PHE 339 Ca 0.00 -2.82 -0.32 0.00 0.12 0.00 0.00 56.93 53.91 3a1l s PHE 339 Cb 0.00 -2.40 -0.15 0.00 -0.57 0.00 0.00 43.02 39.90 3a1l s PHE 339 CO 0.00 -0.77 1.12 -2.30 -0.10 0.00 0.00 175.22 173.17 3a1l n PRO 340 N 3.35 1.19 -3.48 0.24 -0.02 -1.26 -1.76 135.00 133.27 3a1l n PRO 340 Ca 0.06 0.42 -0.21 0.00 -2.02 0.00 0.00 63.50 61.76 3a1l n PRO 340 Cb 0.33 -1.88 0.06 0.00 -0.02 0.00 0.00 33.50 31.99 3a1l n PRO 340 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3a1l n ASP 341 N 1.85 -4.57 0.28 2.55 8.00 -1.26 -4.85 116.55 118.55 3a1l n ASP 341 Ca 0.14 -0.80 0.12 0.00 0.71 0.00 0.00 54.79 54.96 3a1l n ASP 341 Cb 0.26 -4.50 0.62 0.00 -0.02 0.00 0.00 41.12 37.48 3a1l n ASP 341 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3a1l h PRO 342 N -1.56 0.00 -0.01 -0.24 0.13 -1.65 -0.65 132.00 128.03 3a1l h PRO 342 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 3a1l h PRO 342 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3a1l h PRO 342 CO 0.48 0.00 -0.43 -0.25 -0.23 0.00 0.00 178.00 177.57 3a1l n ASP 343 N -2.60 1.57 -4.71 1.44 8.00 -1.26 -4.83 116.55 114.16 3a1l n ASP 343 Ca -0.02 -1.23 -0.37 0.00 0.71 0.00 0.00 54.79 53.88 3a1l n ASP 343 Cb 0.40 0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 41.81 3a1l n ASP 343 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3a1l s VAL 344 N -2.53 5.23 -0.59 2.53 1.01 -0.25 -5.02 120.40 120.78 3a1l s VAL 344 Ca 0.20 0.74 -0.27 0.00 0.00 0.00 0.00 61.98 62.64 3a1l s VAL 344 Cb 0.18 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.85 3a1l s VAL 344 CO 0.57 0.32 1.47 -0.22 0.00 0.00 0.00 175.10 177.25 3a1l s LEU 345 N 0.81 3.34 -0.42 3.92 2.96 -1.26 -4.94 118.68 123.09 3a1l s LEU 345 Ca 0.20 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 3a1l s LEU 345 Cb -0.14 -2.89 0.12 0.00 0.50 0.00 0.00 46.19 43.77 3a1l s LEU 345 CO 0.07 -1.84 0.17 -0.62 -1.32 0.00 0.00 176.35 172.81 3a1l s ASP 346 N 4.95 4.28 0.00 3.68 -1.08 -1.26 -4.98 116.67 122.27 3a1l s ASP 346 Ca 0.52 -2.51 0.10 0.00 -0.52 0.00 0.00 52.55 50.14 3a1l s ASP 346 Cb -0.11 -1.42 0.48 0.00 -1.46 0.00 0.00 42.92 40.41 3a1l s ASP 346 CO 0.23 -0.31 1.22 1.33 0.52 0.00 0.00 175.17 178.16 3a1l n VAL 347 N 3.75 0.87 1.11 1.11 0.24 -1.26 -2.78 118.33 121.38 3a1l n VAL 347 Ca 0.05 0.22 0.12 0.00 -2.04 0.00 0.00 64.34 62.68 3a1l n VAL 347 Cb 0.37 -1.05 0.22 0.00 -1.47 0.00 0.00 33.84 31.91 3a1l n VAL 347 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3a1l n HIS 348 N -1.32 0.00 -2.37 6.34 8.25 -1.26 -4.72 115.22 120.13 3a1l n HIS 348 Ca 0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.13 3a1l n HIS 348 Cb 0.08 -0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.06 3a1l n HIS 348 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3a1l s ARG 349 N -2.67 3.98 0.42 -0.41 1.70 -1.12 -4.95 118.95 115.90 3a1l s ARG 349 Ca 0.18 1.69 -0.24 0.00 -0.47 0.00 0.00 55.73 56.89 3a1l s ARG 349 Cb 0.18 -2.52 -0.11 0.00 -0.57 0.00 0.00 34.95 31.93 3a1l s ARG 349 CO 0.61 -0.34 0.99 0.00 -1.08 0.00 0.00 175.30 175.48 3a1l n ALA 350 N -0.19 0.11 -2.51 7.88 0.00 -1.26 -5.01 120.51 119.53 3a1l n ALA 350 Ca 0.06 0.23 -0.15 0.00 0.00 0.00 0.00 53.44 53.57 3a1l n ALA 350 Cb 0.48 -2.07 0.07 0.00 0.00 0.00 0.00 19.45 17.94 3a1l n ALA 350 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a1l n ALA 351 N -0.51 0.16 -3.17 0.00 0.00 -1.26 -4.67 120.51 111.06 3a1l n ALA 351 Ca 0.10 -1.26 -0.15 0.00 0.00 0.00 0.00 53.44 52.12 3a1l n ALA 351 Cb 0.39 0.22 0.06 0.00 0.00 0.00 0.00 19.45 20.12 3a1l n ALA 351 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3a1l n GLU 352 N -2.17 -5.27 0.00 0.00 -0.58 -1.26 -4.89 120.64 106.47 3a1l n GLU 352 Ca 0.11 0.59 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 3a1l n GLU 352 Cb 0.38 -4.89 0.00 0.00 -0.57 0.00 0.00 31.44 26.36 3a1l n GLU 352 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3a1l n ARG 353 N -3.50 0.47 -2.01 3.49 5.12 -1.26 -5.08 116.66 113.89 3a1l n ARG 353 Ca -0.08 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.43 3a1l n ARG 353 Cb 0.57 -0.59 -0.02 0.00 -1.16 0.00 0.00 32.46 31.26 3a1l n ARG 353 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 3a1l s GLN 354 N -1.18 4.27 -0.44 5.56 1.03 -1.26 -4.93 119.66 122.70 3a1l s GLN 354 Ca 0.00 2.29 0.02 0.00 0.04 0.00 0.00 55.36 57.71 3a1l s GLN 354 Cb 0.00 -3.12 0.51 0.00 0.03 0.00 0.00 33.01 30.43 3a1l s GLN 354 CO 0.00 -0.44 1.86 1.33 -2.54 0.00 0.00 175.29 175.50 3a1l n VAL 355 N 2.65 3.04 0.34 3.63 0.24 -1.26 -4.55 118.33 122.41 3a1l n VAL 355 Ca 0.08 -1.92 0.14 0.00 -2.04 0.00 0.00 64.34 60.60 3a1l n VAL 355 Cb 0.40 -0.75 0.59 0.00 -1.47 0.00 0.00 33.84 32.61 3a1l n VAL 355 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3a1l h GLY 356 N 1.66 0.00 -1.89 7.63 0.00 -1.89 -1.85 103.07 106.73 3a1l h GLY 356 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.87 3a1l h GLY 356 CO 1.07 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.30 3a1l n PHE 357 N -2.49 0.69 -2.01 5.60 3.72 -1.26 -4.73 117.46 116.99 3a1l n PHE 357 Ca 0.01 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.91 3a1l n PHE 357 Cb 0.22 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 3a1l n PHE 357 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a1l n GLY 358 N 0.99 -0.75 0.00 1.37 0.00 -0.70 -1.32 105.19 104.77 3a1l n GLY 358 Ca 0.17 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3a1l n GLY 358 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3a1l n LEU 359 N 0.00 0.00 0.00 0.99 0.00 -1.26 -4.76 117.00 111.97 3a1l n LEU 359 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3a1l n LEU 359 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3a1l n LEU 359 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.00 3a1l n GLY 360 N -0.13 -1.85 0.23 -3.96 0.00 -1.25 -4.32 105.19 93.90 3a1l n GLY 360 Ca 0.00 -1.93 0.16 0.00 0.00 0.00 0.00 46.02 44.25 3a1l n GLY 360 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3a1l h ILE 361 N 0.00 0.00 -0.70 -0.61 3.07 -1.92 -1.37 117.51 115.98 3a1l h ILE 361 Ca 0.00 -0.15 0.00 0.00 1.55 0.00 0.00 64.86 66.26 3a1l h ILE 361 Cb 0.00 0.93 0.00 0.00 -0.27 0.00 0.00 36.82 37.48 3a1l h ILE 361 CO 0.00 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.51 3a1l n HIS 362 N -2.66 0.93 -1.12 0.16 8.25 -1.26 -4.99 115.22 114.53 3a1l n HIS 362 Ca -0.01 -0.46 -0.35 0.00 -0.26 0.00 0.00 57.72 56.64 3a1l n HIS 362 Cb 0.14 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.26 3a1l n HIS 362 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3a1l n TYR 363 N 1.63 -2.75 -1.56 4.41 9.36 -0.52 -4.61 117.16 123.12 3a1l n TYR 363 Ca 0.24 0.39 -0.51 0.00 3.32 0.00 0.00 57.90 61.34 3a1l n TYR 363 Cb 0.62 -1.52 -0.06 0.00 -0.63 0.00 0.00 39.34 37.74 3a1l n TYR 363 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3a1l h LEU 365 N 10.96 0.96 -3.68 0.00 5.85 -1.92 -2.53 115.31 124.96 3a1l h LEU 365 Ca -0.36 0.04 -0.42 0.00 0.84 0.00 0.00 57.88 57.97 3a1l h LEU 365 Cb 1.30 -0.16 -0.24 0.00 0.37 0.00 0.00 40.66 41.93 3a1l h LEU 365 CO 0.99 0.54 0.12 0.61 -0.34 0.00 0.00 178.44 180.36 3a1l n GLY 366 N -1.35 5.33 0.23 3.75 0.00 -1.26 -4.73 105.19 107.16 3a1l n GLY 366 Ca 0.18 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.50 3a1l n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1l h ALA 367 N 1.44 0.72 -0.18 4.61 0.00 -1.83 0.48 119.26 124.50 3a1l h ALA 367 Ca 0.41 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 3a1l h ALA 367 Cb 1.67 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 3a1l h ALA 367 CO 0.85 -0.30 0.08 1.15 0.00 0.00 0.00 179.25 181.04 3a1l h THR 368 N 0.27 1.14 0.04 0.00 2.02 -1.86 -0.21 112.91 114.32 3a1l h THR 368 Ca 0.32 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3a1l h THR 368 Cb 0.47 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3a1l h THR 368 CO -0.40 0.13 -0.04 0.25 0.37 0.00 0.00 175.52 175.83 3a1l h LEU 369 N 0.16 -0.11 -0.69 2.58 5.85 -1.61 -2.31 115.31 119.18 3a1l h LEU 369 Ca 0.06 0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.94 3a1l h LEU 369 Cb 0.13 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.10 3a1l h LEU 369 CO -0.01 -0.07 0.13 0.00 -0.34 0.00 0.00 178.44 178.15 3a1l h ALA 370 N 0.86 0.83 0.00 1.25 0.00 0.15 0.14 119.26 122.48 3a1l h ALA 370 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3a1l h ALA 370 Cb 0.09 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3a1l h ALA 370 CO -0.01 -0.35 -0.22 -0.09 0.00 0.00 0.00 179.25 178.58 3a1l h ARG 371 N 0.23 0.00 -0.07 0.00 2.43 -0.74 -1.67 114.38 114.55 3a1l h ARG 371 Ca 0.38 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.38 3a1l h ARG 371 Cb 0.62 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3a1l h ARG 371 CO -0.50 0.22 -0.61 0.00 -1.51 0.00 0.00 179.97 177.57 3a1l h ALA 372 N 1.78 0.17 -0.34 2.80 0.00 -0.23 -2.40 119.26 121.04 3a1l h ALA 372 Ca -0.00 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 3a1l h ALA 372 Cb 0.58 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3a1l h ALA 372 CO 0.03 0.44 -0.07 0.93 0.00 0.00 0.00 179.25 180.57 3a1l h GLU 373 N 0.13 0.56 0.16 0.00 5.08 -0.86 -1.66 114.58 118.00 3a1l h GLU 373 Ca -0.06 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3a1l h GLU 373 Cb 1.27 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3a1l h GLU 373 CO 0.12 0.64 -0.08 0.00 -1.00 0.00 0.00 179.01 178.70 3a1l h ALA 374 N 1.40 -0.21 0.28 3.43 0.00 -1.30 0.38 119.26 123.23 3a1l h ALA 374 Ca 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3a1l h ALA 374 Cb 0.45 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3a1l h ALA 374 CO 0.02 -0.44 -0.21 0.93 0.00 0.00 0.00 179.25 179.55 3a1l h GLU 375 N -0.57 -0.47 -0.08 0.00 5.08 -1.39 -0.24 114.58 116.91 3a1l h GLU 375 Ca -0.02 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3a1l h GLU 375 Cb 0.43 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 3a1l h GLU 375 CO 0.04 -0.31 0.05 0.82 -1.00 0.00 0.00 179.01 178.60 3a1l h ILE 376 N -0.49 1.06 -0.57 3.13 2.04 -1.34 -1.87 117.51 119.47 3a1l h ILE 376 Ca -0.02 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3a1l h ILE 376 Cb 0.43 1.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 3a1l h ILE 376 CO -0.00 0.05 0.33 1.23 0.00 0.00 0.00 178.15 179.75 3a1l h GLY 377 N 0.08 0.81 1.00 5.37 0.00 -0.16 -1.62 103.07 108.56 3a1l h GLY 377 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 3a1l h GLY 377 CO -0.01 0.19 0.42 1.41 0.00 0.00 0.00 176.54 178.55 3a1l h LEU 378 N 0.64 0.84 0.61 3.11 3.38 -0.89 -2.26 115.31 120.75 3a1l h LEU 378 Ca 0.24 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3a1l h LEU 378 Cb 0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3a1l h LEU 378 CO -0.12 0.66 -0.50 0.03 0.09 0.00 0.00 178.44 178.59 3a1l h ARG 379 N 0.96 -1.04 -0.96 1.13 2.47 -0.72 0.71 114.38 116.92 3a1l h ARG 379 Ca 0.25 0.07 0.30 0.00 -1.26 0.00 0.00 59.98 59.35 3a1l h ARG 379 Cb -0.03 0.24 -0.15 0.00 -1.65 0.00 0.00 29.97 28.38 3a1l h ARG 379 CO -0.05 -0.70 0.42 0.00 0.56 0.00 0.00 179.97 180.21 3a1l h ALA 380 N -1.01 1.72 -0.07 0.04 0.00 -1.17 0.39 119.26 119.15 3a1l h ALA 380 Ca -0.08 0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3a1l h ALA 380 Cb 0.91 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 3a1l h ALA 380 CO -0.00 -0.59 -0.01 -0.07 0.00 0.00 0.00 179.25 178.58 3a1l h LEU 381 N 0.23 0.13 -0.46 0.00 3.38 -0.75 1.32 115.31 119.17 3a1l h LEU 381 Ca 0.68 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 58.35 3a1l h LEU 381 Cb 1.54 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.22 3a1l h LEU 381 CO -0.66 0.44 0.24 -0.07 0.09 0.00 0.00 178.44 178.47 3a1l h LEU 382 N -0.17 0.35 0.05 1.67 -0.00 0.19 -0.45 115.31 116.95 3a1l h LEU 382 Ca 0.02 0.02 -0.27 0.00 -0.00 0.00 0.00 57.88 57.65 3a1l h LEU 382 Cb 0.38 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.96 3a1l h LEU 382 CO 0.01 0.25 -1.38 0.44 -0.00 0.00 0.00 178.44 177.76 3a1l h ASP 383 N 0.47 0.17 1.14 -0.43 3.32 -0.52 -3.38 116.42 117.21 3a1l h ASP 383 Ca 0.19 -0.23 -0.17 0.00 0.02 0.00 0.00 57.03 56.84 3a1l h ASP 383 Cb 0.08 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3a1l h ASP 383 CO -0.13 1.19 -0.79 1.23 -1.72 0.00 0.00 179.24 179.03 3a1l h GLY 384 N 2.53 0.00 -6.99 2.75 0.00 0.18 -3.40 103.07 98.13 3a1l h GLY 384 Ca -0.17 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.55 3a1l h GLY 384 CO 0.13 0.00 -0.70 -0.42 0.00 0.00 0.00 176.54 175.55 3a1l s ILE 385 N -2.87 1.92 0.35 2.60 1.01 -0.19 -4.98 121.20 119.05 3a1l s ILE 385 Ca 0.02 -3.25 0.12 0.00 0.00 0.00 0.00 60.65 57.55 3a1l s ILE 385 Cb 0.09 -2.31 0.34 0.00 0.01 0.00 0.00 42.46 40.60 3a1l s ILE 385 CO 0.79 -0.96 1.75 -0.65 0.00 0.00 0.00 174.94 175.87 3a1l h PRO 386 N 6.11 0.52 -0.57 2.79 0.11 -1.79 0.14 132.00 139.32 3a1l h PRO 386 Ca 0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3a1l h PRO 386 Cb 0.86 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3a1l h PRO 386 CO 0.58 0.35 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 3a1l n ALA 387 N -2.38 2.65 -0.34 -0.75 0.00 -1.26 -4.39 120.51 114.05 3a1l n ALA 387 Ca 0.26 -0.34 0.21 0.00 0.00 0.00 0.00 53.44 53.57 3a1l n ALA 387 Cb 0.77 -1.01 0.46 0.00 0.00 0.00 0.00 19.45 19.66 3a1l n ALA 387 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3a1l h LEU 388 N 0.86 0.55 -2.55 0.00 5.85 -1.04 -0.84 115.31 118.15 3a1l h LEU 388 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3a1l h LEU 388 Cb 0.53 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3a1l h LEU 388 CO 0.06 0.08 0.00 0.61 -0.34 0.00 0.00 178.44 178.85 3a1l n GLY 389 N -1.40 2.10 4.00 3.75 0.00 -1.26 -4.89 105.19 107.49 3a1l n GLY 389 Ca 0.27 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 3a1l n GLY 389 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1l s ARG 390 N -1.16 2.83 2.96 1.61 0.52 -0.32 -4.95 118.95 120.45 3a1l s ARG 390 Ca 0.37 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.34 3a1l s ARG 390 Cb 0.20 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.93 3a1l s ARG 390 CO 0.27 -0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.76 3a1l n GLY 391 N -1.82 0.95 3.65 -3.53 0.00 -1.26 -4.88 105.19 98.30 3a1l n GLY 391 Ca 0.07 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 3a1l n GLY 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a1l s ALA 392 N -1.84 3.56 0.20 4.61 0.00 -1.26 -5.12 121.76 121.91 3a1l s ALA 392 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.17 3a1l s ALA 392 Cb 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 3a1l s ALA 392 CO 0.00 -0.16 0.23 -2.39 0.00 0.00 0.00 175.76 173.43 3a1l n HIS 393 N -1.10 -0.75 -3.70 0.00 1.44 -1.26 -4.43 115.22 105.41 3a1l n HIS 393 Ca -0.13 -1.54 -0.16 0.00 -2.01 0.00 0.00 57.72 53.88 3a1l n HIS 393 Cb 0.66 0.25 -0.15 0.00 0.12 0.00 0.00 29.99 30.87 3a1l n HIS 393 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 3a1l s GLU 394 N -2.65 0.05 0.13 -1.40 -1.05 -1.03 -5.01 118.70 107.75 3a1l s GLU 394 Ca 0.21 0.46 0.11 0.00 -0.15 0.00 0.00 54.97 55.59 3a1l s GLU 394 Cb 0.00 -0.25 -0.04 0.00 -0.44 0.00 0.00 34.13 33.40 3a1l s GLU 394 CO 0.15 -0.24 -0.26 0.54 0.95 0.00 0.00 175.26 176.39 3a1l s VAL 395 N 1.77 2.31 -0.16 1.83 0.11 -1.26 -1.68 120.40 123.32 3a1l s VAL 395 Ca -0.02 -1.76 -0.02 0.00 -2.93 0.00 0.00 61.98 57.25 3a1l s VAL 395 Cb -0.12 -2.03 0.05 0.00 -1.53 0.00 0.00 36.38 32.75 3a1l s VAL 395 CO -0.06 0.08 -0.01 -0.70 -3.33 0.00 0.00 175.10 171.08 3a1l s GLU 396 N -2.11 0.97 0.39 1.54 2.12 -0.91 -5.03 118.70 115.67 3a1l s GLU 396 Ca 0.15 -0.38 -0.12 0.00 0.36 0.00 0.00 54.97 54.98 3a1l s GLU 396 Cb -0.10 -1.87 -0.07 0.00 0.26 0.00 0.00 34.13 32.35 3a1l s GLU 396 CO 0.07 -0.50 0.78 0.71 -0.54 0.00 0.00 175.26 175.78 3a1l s TYR 397 N 1.78 3.44 0.44 5.30 1.51 -1.26 0.93 117.35 129.49 3a1l s TYR 397 Ca 0.01 1.13 -0.03 0.00 -1.01 0.00 0.00 57.07 57.17 3a1l s TYR 397 Cb -0.16 -2.50 -0.03 0.00 -0.11 0.00 0.00 41.96 39.17 3a1l s TYR 397 CO -0.07 -0.07 0.70 0.00 -1.11 0.00 0.00 175.55 175.00 3a1l s ALA 398 N -2.28 3.53 -1.53 3.71 0.00 -1.13 -4.71 121.76 119.35 3a1l s ALA 398 Ca 0.53 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 3a1l s ALA 398 Cb -0.10 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.62 3a1l s ALA 398 CO 0.27 -0.28 2.63 -0.25 0.00 0.00 0.00 175.76 178.14 3a1l n ASP 399 N -2.11 7.09 -3.61 0.00 8.00 -1.26 -4.81 116.55 119.84 3a1l n ASP 399 Ca -0.01 -2.74 -0.21 0.00 0.71 0.00 0.00 54.79 52.54 3a1l n ASP 399 Cb 0.56 -1.56 -0.16 0.00 -0.02 0.00 0.00 41.12 39.94 3a1l n ASP 399 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a1l s ASP 400 N 2.20 1.54 0.00 -2.24 -1.08 -1.26 -4.29 116.67 111.53 3a1l s ASP 400 Ca 0.60 -0.17 0.25 0.00 -0.52 0.00 0.00 52.55 52.70 3a1l s ASP 400 Cb 0.16 0.02 0.40 0.00 -1.46 0.00 0.00 42.92 42.05 3a1l s ASP 400 CO -0.07 -0.30 1.34 0.23 0.52 0.00 0.00 175.17 176.89 3a1l n MET 401 N 5.30 0.88 0.00 4.34 2.81 -1.26 -3.82 117.12 125.36 3a1l n MET 401 Ca -0.05 -0.62 0.00 0.00 -1.81 0.00 0.00 57.70 55.21 3a1l n MET 401 Cb 0.49 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 3a1l n MET 401 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3a1l n VAL 402 N -0.52 0.00 -2.67 2.03 0.31 -1.26 -3.50 118.33 112.72 3a1l n VAL 402 Ca 0.10 0.29 -0.42 0.00 -0.01 0.00 0.00 64.34 64.30 3a1l n VAL 402 Cb 0.39 -1.15 -0.03 0.00 -0.91 0.00 0.00 33.84 32.14 3a1l n VAL 402 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3a1l s PHE 403 N -0.58 2.54 -0.17 3.52 0.40 -1.26 -2.12 117.98 120.32 3a1l s PHE 403 Ca 0.00 -0.55 -0.12 0.00 -0.60 0.00 0.00 56.93 55.66 3a1l s PHE 403 Cb 0.00 -4.53 -0.05 0.00 0.51 0.00 0.00 43.02 38.95 3a1l s PHE 403 CO 0.00 -1.87 0.22 -1.58 0.70 0.00 0.00 175.22 172.69 3a1l s HIS 404 N 4.76 3.45 0.00 0.36 2.46 0.38 -4.59 115.29 122.12 3a1l s HIS 404 Ca 0.35 0.49 0.00 0.00 0.47 0.00 0.00 55.06 56.36 3a1l s HIS 404 Cb -0.07 -2.24 0.00 0.00 -0.13 0.00 0.00 32.58 30.14 3a1l s HIS 404 CO 0.04 0.30 0.00 0.41 -2.47 0.00 0.00 174.74 173.02 3a1l n GLY 405 N 3.31 2.60 3.76 1.59 0.00 -1.26 -4.58 105.19 110.60 3a1l n GLY 405 Ca -0.14 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 3a1l n GLY 405 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3a1l s PRO 406 N -2.05 3.44 -0.03 1.61 0.02 -1.26 -2.84 135.00 133.89 3a1l s PRO 406 Ca 0.00 2.35 0.09 0.00 0.02 0.00 0.00 61.00 63.46 3a1l s PRO 406 Cb 0.00 -2.48 -0.23 0.00 0.02 0.00 0.00 34.50 31.80 3a1l s PRO 406 CO 0.00 -0.99 0.71 1.79 -0.33 0.00 0.00 177.00 178.18 3a1l h THR 407 N 1.93 0.94 -2.45 0.99 1.35 0.27 -3.45 112.91 112.49 3a1l h THR 407 Ca -0.51 -2.75 -0.09 0.00 -0.55 0.00 0.00 66.41 62.52 3a1l h THR 407 Cb 1.28 2.50 -0.22 0.00 -1.73 0.00 0.00 68.15 69.98 3a1l h THR 407 CO 0.59 0.61 -0.06 0.00 -0.25 0.00 0.00 175.52 176.41 3a1l s ARG 408 N -2.61 0.71 -0.26 4.72 1.70 -1.20 -4.65 118.95 117.36 3a1l s ARG 408 Ca -0.06 0.54 -0.03 0.00 -0.47 0.00 0.00 55.73 55.71 3a1l s ARG 408 Cb 0.08 0.34 0.09 0.00 -0.57 0.00 0.00 34.95 34.88 3a1l s ARG 408 CO 0.82 -0.13 0.09 -1.17 -1.08 0.00 0.00 175.30 173.83 3a1l s LEU 409 N -0.18 1.18 -0.03 -1.89 1.98 -1.26 -2.14 118.68 116.33 3a1l s LEU 409 Ca -0.04 -1.19 -0.18 0.00 -2.89 0.00 0.00 54.13 49.83 3a1l s LEU 409 Cb -0.03 -0.55 -0.05 0.00 0.66 0.00 0.00 46.19 46.21 3a1l s LEU 409 CO 0.03 -0.39 0.49 -0.76 -1.89 0.00 0.00 176.35 173.83 3a1l s LEU 410 N 1.90 4.40 0.46 -0.68 1.02 -0.67 -0.81 118.68 124.29 3a1l s LEU 410 Ca 0.06 0.98 0.03 0.00 0.02 0.00 0.00 54.13 55.22 3a1l s LEU 410 Cb -0.17 -2.73 -0.03 0.00 0.02 0.00 0.00 46.19 43.29 3a1l s LEU 410 CO -0.23 0.16 0.04 -0.22 0.02 0.00 0.00 176.35 176.12 3a1l s LEU 411 N -0.30 2.28 -0.05 1.79 2.96 -1.17 -2.46 118.68 121.73 3a1l s LEU 411 Ca 0.26 -1.61 0.01 0.00 -0.22 0.00 0.00 54.13 52.58 3a1l s LEU 411 Cb -0.17 -0.56 0.02 0.00 0.50 0.00 0.00 46.19 45.99 3a1l s LEU 411 CO 0.14 -0.81 -0.06 -1.81 -1.32 0.00 0.00 176.35 172.49 3a1l s ASP 412 N -3.75 1.03 0.42 3.68 1.01 -1.26 -4.30 116.67 113.50 3a1l s ASP 412 Ca 0.17 -0.15 -0.21 0.00 0.71 0.00 0.00 52.55 53.07 3a1l s ASP 412 Cb 0.03 -0.50 -0.15 0.00 1.01 0.00 0.00 42.92 43.32 3a1l s ASP 412 CO 0.09 -0.04 0.10 -0.11 0.21 0.00 0.00 175.17 175.42 3a1l n LEU 413 N 3.98 -2.70 0.00 1.23 0.00 -1.26 -5.04 117.00 113.21 3a1l n LEU 413 Ca -0.25 0.80 0.00 0.00 0.00 0.00 0.00 56.01 56.56 3a1l n LEU 413 Cb 0.51 -0.90 0.00 0.00 0.00 0.00 0.00 43.42 43.03 3a1l n LEU 413 CO 0.24 -4.16 0.12 -2.65 0.00 0.00 0.00 177.39 170.93