#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a47 h SER 5 N 0.00 0.39 -0.15 4.04 0.02 -2.02 -3.09 113.55 112.74 3a47 h SER 5 Ca 0.00 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 3a47 h SER 5 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3a47 h SER 5 CO 0.00 1.27 0.00 0.00 -1.14 0.00 0.00 176.83 176.96 3a47 n ALA 6 N -2.51 2.75 -3.56 3.77 0.00 -1.26 -4.32 120.51 115.37 3a47 n ALA 6 Ca -0.07 -0.43 -0.27 0.00 0.00 0.00 0.00 53.44 52.66 3a47 n ALA 6 Cb 0.97 -1.02 -0.11 0.00 0.00 0.00 0.00 19.45 19.29 3a47 n ALA 6 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3a47 s HIS 7 N -1.52 1.88 0.60 0.00 0.09 -1.17 -4.49 115.29 110.68 3a47 s HIS 7 Ca 0.13 -2.63 0.43 0.00 -0.00 0.00 0.00 55.06 52.99 3a47 s HIS 7 Cb 0.09 -1.51 2.30 0.00 -0.00 0.00 0.00 32.58 33.46 3a47 s HIS 7 CO 0.05 -0.74 2.33 -1.35 -0.00 0.00 0.00 174.74 175.03 3a47 h PRO 8 N 5.65 0.00 0.00 8.40 0.11 -1.75 -1.68 132.00 142.72 3a47 h PRO 8 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3a47 h PRO 8 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3a47 h PRO 8 CO 0.48 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.32 3a47 h GLU 9 N 0.00 0.00 0.00 1.05 9.09 -1.05 -2.41 114.58 121.26 3a47 h GLU 9 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3a47 h GLU 9 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 3a47 h GLU 9 CO 0.00 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.31 3a47 n THR 10 N -3.00 0.23 -1.76 -1.06 -2.24 -0.63 -4.80 114.28 101.01 3a47 n THR 10 Ca -0.01 0.06 -0.42 0.00 -2.27 0.00 0.00 64.05 61.40 3a47 n THR 10 Cb 0.18 -0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 3a47 n THR 10 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3a47 s GLU 11 N -2.61 3.92 0.44 -0.78 2.12 -0.91 -4.92 118.70 115.96 3a47 s GLU 11 Ca 0.22 2.33 -0.25 0.00 0.36 0.00 0.00 54.97 57.63 3a47 s GLU 11 Cb 0.16 -4.16 -0.08 0.00 0.26 0.00 0.00 34.13 30.32 3a47 s GLU 11 CO 0.38 -1.19 1.29 -2.14 -0.54 0.00 0.00 175.26 173.06 3a47 s PRO 12 N 4.78 3.78 0.00 4.30 0.02 -1.26 -5.05 135.00 141.58 3a47 s PRO 12 Ca 0.86 2.11 -0.08 0.00 0.02 0.00 0.00 61.00 63.91 3a47 s PRO 12 Cb -0.37 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.54 3a47 s PRO 12 CO 0.37 -0.63 0.15 0.15 -0.33 0.00 0.00 177.00 176.71 3a47 s LYS 13 N -2.44 0.50 0.28 5.54 -0.14 -1.26 -5.05 119.74 117.17 3a47 s LYS 13 Ca 0.61 -0.41 0.02 0.00 -1.36 0.00 0.00 55.97 54.82 3a47 s LYS 13 Cb -0.37 0.21 0.59 0.00 -1.68 0.00 0.00 37.83 36.58 3a47 s LYS 13 CO 0.46 -0.12 1.79 0.11 -0.76 0.00 0.00 175.35 176.83 3a47 h TRP 14 N 4.21 0.98 0.00 3.18 5.08 -1.99 -1.71 115.95 125.71 3a47 h TRP 14 Ca -0.31 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.70 3a47 h TRP 14 Cb 1.19 -0.29 0.00 0.00 -3.00 0.00 0.00 29.16 27.06 3a47 h TRP 14 CO 0.59 0.29 -0.13 -2.67 -1.28 0.00 0.00 178.44 175.23 3a47 n TRP 15 N -4.76 0.68 -0.01 0.12 4.27 -1.26 -1.35 117.44 115.14 3a47 n TRP 15 Ca 0.19 0.20 -0.17 0.00 -3.89 0.00 0.00 57.50 53.83 3a47 n TRP 15 Cb 0.44 -0.79 -0.10 0.00 -1.36 0.00 0.00 31.31 29.49 3a47 n TRP 15 CO 0.00 0.00 0.00 0.87 -2.29 0.00 0.00 177.69 176.27 3a47 h LYS 16 N 0.00 0.43 -0.02 -2.67 1.57 -1.70 -3.36 116.57 110.81 3a47 h LYS 16 Ca 0.00 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3a47 h LYS 16 Cb 0.69 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.11 3a47 h LYS 16 CO 0.00 1.07 -0.28 -0.85 -0.57 0.00 0.00 179.45 178.82 3a47 n GLU 17 N -4.24 1.63 -2.17 3.15 0.28 -1.17 -3.63 120.64 114.49 3a47 n GLU 17 Ca -0.10 -1.31 -0.41 0.00 -0.16 0.00 0.00 57.16 55.18 3a47 n GLU 17 Cb 0.64 -1.44 -0.03 0.00 1.43 0.00 0.00 31.44 32.04 3a47 n GLU 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3a47 s ALA 18 N -2.19 3.53 -0.23 -1.84 0.00 -0.46 -4.97 121.76 115.61 3a47 s ALA 18 Ca 0.21 1.17 -0.19 0.00 0.00 0.00 0.00 51.96 53.15 3a47 s ALA 18 Cb 0.18 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3a47 s ALA 18 CO 0.44 -0.58 0.56 0.99 0.00 0.00 0.00 175.76 177.17 3a47 s THR 19 N -0.20 5.06 -0.02 0.00 2.01 -1.26 -3.99 115.64 117.24 3a47 s THR 19 Ca 0.55 1.00 -0.13 0.00 0.31 0.00 0.00 61.69 63.42 3a47 s THR 19 Cb -0.38 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 3a47 s THR 19 CO 0.42 0.11 0.36 -0.36 -0.69 0.00 0.00 174.62 174.45 3a47 s PHE 20 N 2.08 3.71 -0.18 4.92 0.40 0.17 -0.25 117.98 128.83 3a47 s PHE 20 Ca 0.24 0.91 -0.02 0.00 -0.60 0.00 0.00 56.93 57.46 3a47 s PHE 20 Cb -0.16 -2.22 -0.01 0.00 0.51 0.00 0.00 43.02 41.14 3a47 s PHE 20 CO 0.09 0.66 -0.08 -0.47 0.70 0.00 0.00 175.22 176.13 3a47 s TYR 21 N -1.07 2.91 -0.19 0.36 5.04 -0.26 -0.36 117.35 123.78 3a47 s TYR 21 Ca 0.22 -0.80 -0.15 0.00 -2.44 0.00 0.00 57.07 53.89 3a47 s TYR 21 Cb -0.16 -2.00 -0.04 0.00 0.35 0.00 0.00 41.96 40.12 3a47 s TYR 21 CO 0.12 -0.39 0.37 -1.14 -1.34 0.00 0.00 175.55 173.17 3a47 s GLN 22 N 0.98 4.19 -0.16 4.97 0.74 -0.00 -1.59 119.66 128.79 3a47 s GLN 22 Ca -0.01 0.17 -0.05 0.00 0.05 0.00 0.00 55.36 55.52 3a47 s GLN 22 Cb -0.15 -3.52 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 3a47 s GLN 22 CO -0.00 0.02 0.01 0.42 -0.55 0.00 0.00 175.29 175.18 3a47 s ILE 23 N 1.14 4.30 -0.49 -2.34 1.01 -0.02 -1.67 121.20 123.13 3a47 s ILE 23 Ca 0.18 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.46 3a47 s ILE 23 Cb -0.14 -2.89 0.09 0.00 0.01 0.00 0.00 42.46 39.52 3a47 s ILE 23 CO 0.07 0.50 0.41 -0.47 0.00 0.00 0.00 174.94 175.45 3a47 s TYR 24 N 0.19 3.26 0.38 3.97 5.04 -1.26 -1.02 117.35 127.91 3a47 s TYR 24 Ca 0.01 -1.08 0.05 0.00 -2.44 0.00 0.00 57.07 53.61 3a47 s TYR 24 Cb -0.13 -3.33 0.76 0.00 0.35 0.00 0.00 41.96 39.61 3a47 s TYR 24 CO 0.02 -0.86 2.04 -1.00 -1.34 0.00 0.00 175.55 174.40 3a47 h PRO 25 N 8.76 0.66 0.00 4.97 0.13 -1.89 0.12 132.00 144.76 3a47 h PRO 25 Ca -0.28 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3a47 h PRO 25 Cb 1.11 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 3a47 h PRO 25 CO 0.91 0.44 -0.01 0.00 -0.23 0.00 0.00 178.00 179.12 3a47 h ALA 26 N 1.68 1.79 -0.06 -0.56 0.00 -1.93 -3.24 119.26 116.94 3a47 h ALA 26 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3a47 h ALA 26 Cb -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3a47 h ALA 26 CO -0.04 0.01 0.00 0.43 0.00 0.00 0.00 179.25 179.65 3a47 n SER 27 N -4.24 2.02 -0.05 0.00 7.64 -0.02 -0.77 113.62 118.21 3a47 n SER 27 Ca -0.03 -1.85 -0.03 0.00 1.01 0.00 0.00 58.87 57.97 3a47 n SER 27 Cb 0.09 -0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.25 3a47 n SER 27 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3a47 h PHE 28 N 0.41 0.00 -2.36 1.43 3.57 -1.45 0.23 116.94 118.77 3a47 h PHE 28 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 3a47 h PHE 28 Cb 0.47 0.00 -0.25 0.00 2.79 0.00 0.00 35.95 38.96 3a47 h PHE 28 CO 0.04 0.00 -0.28 0.21 -2.23 0.00 0.00 178.31 176.05 3a47 s LYS 29 N -1.79 0.41 -0.15 1.11 2.47 -1.26 -4.37 119.74 116.16 3a47 s LYS 29 Ca -0.09 1.14 -0.19 0.00 -1.56 0.00 0.00 55.97 55.27 3a47 s LYS 29 Cb 0.01 0.45 -0.04 0.00 -1.46 0.00 0.00 37.83 36.79 3a47 s LYS 29 CO 0.14 -0.23 0.53 0.34 0.16 0.00 0.00 175.35 176.29 3a47 s ASP 30 N 2.56 6.66 0.00 1.43 2.15 -0.69 -1.44 116.67 127.34 3a47 s ASP 30 Ca -0.04 0.79 0.16 0.00 0.43 0.00 0.00 52.55 53.90 3a47 s ASP 30 Cb -0.11 -2.31 -0.02 0.00 -0.30 0.00 0.00 42.92 40.17 3a47 s ASP 30 CO -0.15 -0.11 0.84 -1.54 -0.17 0.00 0.00 175.17 174.05 3a47 n SER 31 N 4.28 1.54 -0.36 -0.34 3.41 -1.26 -4.60 113.62 116.29 3a47 n SER 31 Ca -0.05 -1.27 0.02 0.00 -0.26 0.00 0.00 58.87 57.31 3a47 n SER 31 Cb 0.51 0.53 0.03 0.00 -0.26 0.00 0.00 64.21 65.02 3a47 n SER 31 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3a47 n ASN 32 N -0.27 0.58 -2.30 4.04 0.23 -1.26 -5.00 115.26 111.28 3a47 n ASN 32 Ca 0.06 -2.18 -0.19 0.00 -0.53 0.00 0.00 54.58 51.74 3a47 n ASN 32 Cb 0.33 -0.24 -0.02 0.00 -2.08 0.00 0.00 39.78 37.78 3a47 n ASN 32 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3a47 n ASP 33 N -0.34 -5.49 -0.69 0.53 8.00 -1.26 -4.85 116.55 112.45 3a47 n ASP 33 Ca 0.04 0.08 0.13 0.00 0.71 0.00 0.00 54.79 55.75 3a47 n ASP 33 Cb 0.66 -4.62 0.35 0.00 -0.02 0.00 0.00 41.12 37.50 3a47 n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3a47 n ASP 34 N -1.88 2.13 0.00 -2.24 5.75 -1.26 -4.63 116.55 114.42 3a47 n ASP 34 Ca -0.22 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 3a47 n ASP 34 Cb 0.67 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 3a47 n ASP 34 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a47 n GLY 35 N 1.25 1.22 3.54 6.12 0.00 -1.26 -4.79 105.19 111.28 3a47 n GLY 35 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3a47 n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a47 s TRP 36 N -3.11 2.99 0.92 1.61 0.52 -1.26 -0.80 118.94 119.81 3a47 s TRP 36 Ca 0.00 -0.14 -0.10 0.00 0.02 0.00 0.00 56.10 55.87 3a47 s TRP 36 Cb 0.00 -1.84 0.15 0.00 -1.15 0.00 0.00 33.47 30.63 3a47 s TRP 36 CO 0.00 0.15 1.13 0.20 0.02 0.00 0.00 176.95 178.45 3a47 s GLY 37 N -0.22 1.67 0.33 0.98 0.00 0.06 -4.37 107.32 105.76 3a47 s GLY 37 Ca 0.04 0.47 -0.13 0.00 0.00 0.00 0.00 44.72 45.10 3a47 s GLY 37 CO 0.02 0.91 0.63 0.51 0.00 0.00 0.00 173.10 175.17 3a47 s ASP 38 N -2.76 0.17 0.16 1.64 1.47 -0.52 -4.59 116.67 112.24 3a47 s ASP 38 Ca 0.66 -1.09 -0.10 0.00 1.18 0.00 0.00 52.55 53.20 3a47 s ASP 38 Cb -0.22 0.72 0.02 0.00 -0.34 0.00 0.00 42.92 43.10 3a47 s ASP 38 CO 0.58 -1.41 1.54 0.24 0.68 0.00 0.00 175.17 176.80 3a47 h MET 39 N 2.08 0.96 -0.95 2.11 2.86 -1.42 -1.42 114.93 119.16 3a47 h MET 39 Ca -0.28 -0.43 0.03 0.00 -2.06 0.00 0.00 59.70 56.96 3a47 h MET 39 Cb 1.25 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.84 3a47 h MET 39 CO 0.36 1.10 0.62 -0.22 1.06 0.00 0.00 176.91 179.83 3a47 h LYS 40 N 0.82 1.19 -0.16 1.72 1.63 -1.92 0.14 116.57 119.98 3a47 h LYS 40 Ca 0.10 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.84 3a47 h LYS 40 Cb 0.84 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.19 3a47 h LYS 40 CO 0.07 0.79 0.07 0.78 -3.45 0.00 0.00 179.45 177.71 3a47 h GLY 41 N 1.23 0.21 0.92 5.01 0.00 -1.59 -1.34 103.07 107.50 3a47 h GLY 41 Ca 0.37 -0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.66 3a47 h GLY 41 CO -0.10 0.04 0.22 -2.22 0.00 0.00 0.00 176.54 174.48 3a47 h ILE 42 N 0.16 1.05 -0.94 2.60 2.04 -0.73 -2.61 117.51 119.07 3a47 h ILE 42 Ca 0.07 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.87 3a47 h ILE 42 Cb 0.03 0.55 -0.08 0.00 -0.74 0.00 0.00 36.82 36.59 3a47 h ILE 42 CO -0.06 0.08 0.59 0.00 0.00 0.00 0.00 178.15 178.76 3a47 h ALA 43 N 1.16 1.37 0.00 1.87 0.00 -0.42 0.03 119.26 123.27 3a47 h ALA 43 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3a47 h ALA 43 Cb -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3a47 h ALA 43 CO -0.06 0.25 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 3a47 n SER 44 N -4.62 0.69 -0.39 0.00 3.41 -0.54 -2.73 113.62 109.45 3a47 n SER 44 Ca 0.16 0.69 0.04 0.00 -0.26 0.00 0.00 58.87 59.50 3a47 n SER 44 Cb 0.28 -0.83 0.09 0.00 -0.26 0.00 0.00 64.21 63.48 3a47 n SER 44 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3a47 n LYS 45 N -2.29 2.38 -0.04 4.33 4.76 -0.04 -4.64 118.16 122.62 3a47 n LYS 45 Ca 0.01 -1.68 0.00 0.00 -2.87 0.00 0.00 58.31 53.78 3a47 n LYS 45 Cb 0.20 -1.17 0.30 0.00 -1.84 0.00 0.00 35.03 32.53 3a47 n LYS 45 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3a47 h LEU 46 N 1.32 0.57 -0.82 -0.35 3.38 -1.26 -2.10 115.31 116.05 3a47 h LEU 46 Ca 0.00 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 3a47 h LEU 46 Cb 0.58 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3a47 h LEU 46 CO 0.00 0.55 0.26 -0.33 0.09 0.00 0.00 178.44 179.01 3a47 h GLU 47 N 0.61 1.14 -0.46 1.13 4.39 -1.82 0.13 114.58 119.70 3a47 h GLU 47 Ca 0.14 -0.22 0.03 0.00 0.34 0.00 0.00 59.36 59.65 3a47 h GLU 47 Cb 0.19 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 3a47 h GLU 47 CO -0.01 0.94 0.25 -0.92 -1.16 0.00 0.00 179.01 178.12 3a47 h TYR 48 N 1.10 0.47 -0.46 4.33 3.20 -1.72 0.98 116.97 124.87 3a47 h TYR 48 Ca 0.25 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.10 3a47 h TYR 48 Cb 0.26 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.37 3a47 h TYR 48 CO 0.02 0.25 0.17 0.82 -1.64 0.00 0.00 178.16 177.79 3a47 h ILE 49 N 0.51 1.21 -0.48 1.81 2.04 -0.84 -1.02 117.51 120.74 3a47 h ILE 49 Ca 0.19 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 3a47 h ILE 49 Cb 0.06 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3a47 h ILE 49 CO -0.11 0.25 0.30 0.50 0.00 0.00 0.00 178.15 179.09 3a47 h LYS 50 N 0.61 0.64 0.00 2.37 1.63 -0.74 -2.73 116.57 118.35 3a47 h LYS 50 Ca 0.15 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.86 3a47 h LYS 50 Cb 0.22 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 3a47 h LYS 50 CO -0.01 0.46 -0.21 0.93 -3.45 0.00 0.00 179.45 177.17 3a47 h GLU 51 N 0.64 0.00 -0.51 1.90 5.08 -0.50 -1.19 114.58 120.00 3a47 h GLU 51 Ca 0.17 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.51 3a47 h GLU 51 Cb -0.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 3a47 h GLU 51 CO -0.03 0.21 0.24 1.25 -1.00 0.00 0.00 179.01 179.67 3a47 h LEU 52 N 0.00 0.65 0.00 1.33 5.85 -0.90 -3.47 115.31 118.77 3a47 h LEU 52 Ca -0.00 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3a47 h LEU 52 Cb 0.38 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3a47 h LEU 52 CO 0.03 0.56 0.00 0.61 -0.34 0.00 0.00 178.44 179.30 3a47 n GLY 53 N -1.19 1.29 3.77 3.75 0.00 -0.45 -4.38 105.19 107.99 3a47 n GLY 53 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3a47 n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a47 s ALA 54 N -2.00 3.02 -0.42 4.61 0.00 -1.08 -4.77 121.76 121.12 3a47 s ALA 54 Ca 0.00 1.04 0.14 0.00 0.00 0.00 0.00 51.96 53.14 3a47 s ALA 54 Cb 0.00 -3.42 -0.18 0.00 0.00 0.00 0.00 23.12 19.51 3a47 s ALA 54 CO 0.00 -0.76 0.50 -0.25 0.00 0.00 0.00 175.76 175.25 3a47 n ASP 55 N -0.38 1.04 -3.48 0.00 9.92 0.66 -4.61 116.55 119.70 3a47 n ASP 55 Ca 0.07 -0.51 -0.15 0.00 -0.53 0.00 0.00 54.79 53.66 3a47 n ASP 55 Cb 0.47 1.26 -0.04 0.00 -0.64 0.00 0.00 41.12 42.16 3a47 n ASP 55 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3a47 s ALA 56 N -2.61 -1.72 0.05 2.24 0.00 -0.98 -1.50 121.76 117.25 3a47 s ALA 56 Ca 0.01 1.01 0.08 0.00 0.00 0.00 0.00 51.96 53.06 3a47 s ALA 56 Cb 0.10 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 3a47 s ALA 56 CO 0.60 -0.53 -0.22 0.96 0.00 0.00 0.00 175.76 176.56 3a47 s ILE 57 N -2.22 1.81 -0.18 0.00 -4.36 -0.23 -1.10 121.20 114.93 3a47 s ILE 57 Ca -0.05 -1.29 0.01 0.00 -0.26 0.00 0.00 60.65 59.05 3a47 s ILE 57 Cb -0.00 -1.57 0.02 0.00 1.25 0.00 0.00 42.46 42.15 3a47 s ILE 57 CO 0.00 0.22 -0.19 0.86 0.24 0.00 0.00 174.94 176.07 3a47 s TRP 58 N -0.84 2.78 -0.22 1.37 -0.00 -0.62 -0.62 118.94 120.79 3a47 s TRP 58 Ca 0.09 -1.54 -0.09 0.00 -0.00 0.00 0.00 56.10 54.56 3a47 s TRP 58 Cb -0.09 -1.92 -0.04 0.00 -0.00 0.00 0.00 33.47 31.41 3a47 s TRP 58 CO 0.02 -0.76 0.11 0.42 -0.00 0.00 0.00 176.95 176.75 3a47 s ILE 59 N 1.23 5.03 1.00 5.86 1.01 -1.07 -0.84 121.20 133.42 3a47 s ILE 59 Ca 0.03 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 3a47 s ILE 59 Cb -0.13 -3.31 0.18 0.00 0.01 0.00 0.00 42.46 39.20 3a47 s ILE 59 CO -0.11 0.40 1.01 -1.20 0.00 0.00 0.00 174.94 175.04 3a47 n SER 60 N 4.01 -0.53 -4.63 3.58 7.64 -0.19 -3.51 113.62 119.98 3a47 n SER 60 Ca -0.16 0.23 -0.50 0.00 1.01 0.00 0.00 58.87 59.45 3a47 n SER 60 Cb 0.52 -1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 62.29 3a47 n SER 60 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3a47 n PRO 61 N -4.18 1.55 -0.01 1.43 -0.02 -1.26 -4.63 135.00 127.88 3a47 n PRO 61 Ca 0.09 0.56 0.01 0.00 -2.02 0.00 0.00 63.50 62.14 3a47 n PRO 61 Cb 0.53 -2.26 0.02 0.00 -0.02 0.00 0.00 33.50 31.76 3a47 n PRO 61 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3a47 n PHE 62 N 3.29 0.00 -2.05 6.00 1.16 -1.26 -4.75 117.46 119.85 3a47 n PHE 62 Ca 0.19 -0.51 -0.31 0.00 -1.87 0.00 0.00 57.45 54.95 3a47 n PHE 62 Cb 0.22 -0.06 -0.00 0.00 -1.61 0.00 0.00 39.48 38.03 3a47 n PHE 62 CO 0.00 0.00 0.00 0.71 -1.87 0.00 0.00 176.76 175.60 3a47 s TYR 63 N -1.11 3.49 -0.18 2.97 1.51 -1.26 -0.61 117.35 122.16 3a47 s TYR 63 Ca 0.04 1.38 -0.39 0.00 -1.01 0.00 0.00 57.07 57.08 3a47 s TYR 63 Cb 0.03 -2.77 -0.16 0.00 -0.11 0.00 0.00 41.96 38.95 3a47 s TYR 63 CO 0.00 -0.63 1.61 -3.47 -1.11 0.00 0.00 175.55 171.95 3a47 n ASP 64 N -2.31 2.09 -3.65 2.29 4.64 0.64 -4.06 116.55 116.19 3a47 n ASP 64 Ca 0.06 1.09 -0.12 0.00 -1.38 0.00 0.00 54.79 54.44 3a47 n ASP 64 Cb 0.54 -1.14 -0.08 0.00 -1.04 0.00 0.00 41.12 39.40 3a47 n ASP 64 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3a47 s SER 65 N 2.59 -0.74 0.08 1.67 0.15 -1.26 -0.12 113.70 116.07 3a47 s SER 65 Ca 0.95 1.35 0.11 0.00 0.70 0.00 0.00 55.95 59.06 3a47 s SER 65 Cb -1.06 1.34 0.50 0.00 -1.71 0.00 0.00 66.02 65.09 3a47 s SER 65 CO 0.61 -0.23 1.34 -2.65 1.20 0.00 0.00 173.24 173.50 3a47 n PRO 66 N 3.11 0.05 -1.18 5.44 -0.02 -1.26 -4.88 135.00 136.27 3a47 n PRO 66 Ca -0.16 0.43 -0.06 0.00 -2.02 0.00 0.00 63.50 61.69 3a47 n PRO 66 Cb 0.56 -1.62 -0.03 0.00 -0.02 0.00 0.00 33.50 32.40 3a47 n PRO 66 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3a47 n GLN 67 N -1.71 -0.55 0.24 -0.52 1.13 -1.26 -4.91 117.38 109.81 3a47 n GLN 67 Ca 0.01 0.66 0.07 0.00 -1.94 0.00 0.00 57.00 55.80 3a47 n GLN 67 Cb 0.09 -4.42 0.58 0.00 0.11 0.00 0.00 30.24 26.59 3a47 n GLN 67 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 3a47 h ASP 68 N 0.00 0.00 -0.65 1.08 3.32 -1.89 -1.68 116.42 116.59 3a47 h ASP 68 Ca -0.12 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.47 3a47 h ASP 68 Cb 0.46 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 39.59 3a47 h ASP 68 CO 0.18 0.11 -0.92 -0.67 -1.72 0.00 0.00 179.24 176.23 3a47 n ASP 69 N -4.35 3.85 -4.06 6.45 2.03 -1.26 -4.62 116.55 114.59 3a47 n ASP 69 Ca -0.03 -3.20 -0.28 0.00 0.52 0.00 0.00 54.79 51.80 3a47 n ASP 69 Cb 0.19 -0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 40.17 3a47 n ASP 69 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3a47 n MET 70 N -0.67 -2.98 0.00 -0.67 2.81 -0.63 -1.76 117.12 113.21 3a47 n MET 70 Ca 0.32 0.36 0.00 0.00 -1.81 0.00 0.00 57.70 56.57 3a47 n MET 70 Cb 0.91 -4.53 0.00 0.00 -0.71 0.00 0.00 33.22 28.89 3a47 n MET 70 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a47 n GLY 71 N -1.94 2.75 0.00 3.03 0.00 -1.26 -4.84 105.19 102.93 3a47 n GLY 71 Ca -0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.91 3a47 n GLY 71 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3a47 n TYR 72 N -0.90 0.00 -3.68 1.61 4.01 -0.73 -4.19 117.16 113.29 3a47 n TYR 72 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.36 3a47 n TYR 72 Cb 0.00 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 38.94 3a47 n TYR 72 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3a47 s ASP 73 N -1.80 5.40 -0.20 7.72 -4.77 -1.26 -4.86 116.67 116.90 3a47 s ASP 73 Ca 0.38 -2.71 -0.15 0.00 -3.30 0.00 0.00 52.55 46.76 3a47 s ASP 73 Cb 0.17 -1.89 -0.04 0.00 -1.09 0.00 0.00 42.92 40.07 3a47 s ASP 73 CO 0.29 -0.42 0.37 -0.63 0.70 0.00 0.00 175.17 175.48 3a47 s ILE 74 N 0.15 5.22 -0.38 2.11 1.01 -1.26 -4.06 121.20 123.99 3a47 s ILE 74 Ca 0.16 0.65 0.23 0.00 0.00 0.00 0.00 60.65 61.69 3a47 s ILE 74 Cb -0.20 -3.70 -0.10 0.00 0.01 0.00 0.00 42.46 38.46 3a47 s ILE 74 CO -0.04 0.27 0.95 0.00 0.00 0.00 0.00 174.94 176.13 3a47 n ALA 75 N 4.37 2.97 -3.15 9.38 0.00 0.83 -0.58 120.51 134.33 3a47 n ALA 75 Ca -0.09 -0.36 0.04 0.00 0.00 0.00 0.00 53.44 53.03 3a47 n ALA 75 Cb 0.51 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.96 3a47 n ALA 75 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3a47 s ASN 76 N -4.53 -1.36 0.60 0.00 3.84 -1.14 -4.18 114.94 108.17 3a47 s ASN 76 Ca 0.00 0.84 0.39 0.00 0.21 0.00 0.00 52.86 54.30 3a47 s ASN 76 Cb 0.13 2.13 1.91 0.00 -0.55 0.00 0.00 41.25 44.87 3a47 s ASN 76 CO 0.81 -0.25 2.17 1.88 -2.79 0.00 0.00 177.10 178.92 3a47 h TYR 77 N 8.00 0.00 -0.47 0.43 0.05 -1.88 -3.15 116.97 119.95 3a47 h TYR 77 Ca -0.22 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.56 3a47 h TYR 77 Cb 1.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.90 3a47 h TYR 77 CO 0.10 0.00 0.00 0.39 -1.05 0.00 0.00 178.16 177.60 3a47 n GLU 78 N -3.04 2.92 -4.00 4.88 1.02 -1.26 -4.86 120.64 116.30 3a47 n GLU 78 Ca -0.01 -2.34 -0.18 0.00 -0.02 0.00 0.00 57.16 54.61 3a47 n GLU 78 Cb 0.18 -1.44 -0.16 0.00 -0.02 0.00 0.00 31.44 29.99 3a47 n GLU 78 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3a47 s LYS 79 N -1.21 0.46 0.39 3.49 2.20 -1.19 -5.02 119.74 118.85 3a47 s LYS 79 Ca 0.34 0.02 -0.26 0.00 -0.36 0.00 0.00 55.97 55.71 3a47 s LYS 79 Cb 0.19 -0.59 -0.09 0.00 -1.51 0.00 0.00 37.83 35.84 3a47 s LYS 79 CO 0.20 -0.12 1.21 0.08 -0.36 0.00 0.00 175.35 176.37 3a47 s VAL 80 N 0.99 3.00 0.03 4.02 1.01 -1.26 -0.26 120.40 127.93 3a47 s VAL 80 Ca -0.10 0.88 -0.30 0.00 0.00 0.00 0.00 61.98 62.45 3a47 s VAL 80 Cb -0.14 -3.51 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 3a47 s VAL 80 CO -0.01 0.11 1.86 0.86 0.00 0.00 0.00 175.10 177.92 3a47 s TRP 81 N -1.33 1.63 0.44 5.22 -0.00 0.22 -4.26 118.94 120.85 3a47 s TRP 81 Ca 0.56 -0.20 0.23 0.00 -0.00 0.00 0.00 56.10 56.68 3a47 s TRP 81 Cb -0.33 -4.14 1.21 0.00 -0.00 0.00 0.00 33.47 30.21 3a47 s TRP 81 CO 0.43 -4.97 1.79 -1.35 -0.00 0.00 0.00 176.95 172.84 3a47 h PRO 82 N 9.92 0.28 0.00 5.86 0.11 -1.91 0.17 132.00 146.44 3a47 h PRO 82 Ca -0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3a47 h PRO 82 Cb 1.22 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3a47 h PRO 82 CO 0.94 0.19 -0.03 1.15 -0.21 0.00 0.00 178.00 180.04 3a47 h THR 83 N 0.29 0.98 0.00 -1.15 2.02 -1.98 -1.96 112.91 111.12 3a47 h THR 83 Ca 0.57 -0.11 -0.12 0.00 0.77 0.00 0.00 66.41 67.53 3a47 h THR 83 Cb 1.65 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 3a47 h THR 83 CO -0.22 0.03 -0.69 1.88 0.37 0.00 0.00 175.52 176.90 3a47 h TYR 84 N 0.00 0.00 0.00 3.16 0.99 -0.94 -3.45 116.97 116.73 3a47 h TYR 84 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3a47 h TYR 84 Cb 0.06 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.79 3a47 h TYR 84 CO 0.00 0.51 0.00 0.41 -0.00 0.00 0.00 178.16 179.08 3a47 n GLY 85 N 1.26 0.75 3.98 3.88 0.00 -0.74 -1.09 105.19 113.24 3a47 n GLY 85 Ca -0.00 -1.81 -0.18 0.00 0.00 0.00 0.00 46.02 44.03 3a47 n GLY 85 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a47 s THR 86 N -2.53 3.01 0.24 2.61 -4.23 -1.26 -4.02 115.64 109.45 3a47 s THR 86 Ca 0.00 -1.07 -0.05 0.00 -1.18 0.00 0.00 61.69 59.39 3a47 s THR 86 Cb 0.00 -3.03 0.21 0.00 1.34 0.00 0.00 72.50 71.03 3a47 s THR 86 CO 0.00 -0.01 1.84 0.78 -0.54 0.00 0.00 174.62 176.69 3a47 h ASN 87 N 0.74 0.79 -0.60 3.99 4.21 -1.95 -1.44 115.58 121.31 3a47 h ASN 87 Ca -0.41 0.03 -0.01 0.00 1.21 0.00 0.00 56.30 57.12 3a47 h ASN 87 Cb 1.28 -0.14 -0.03 0.00 -1.12 0.00 0.00 38.32 38.31 3a47 h ASN 87 CO 0.48 0.49 0.34 -0.08 -1.29 0.00 0.00 177.43 177.37 3a47 h GLU 88 N 0.92 0.85 -0.83 0.81 4.57 -1.99 0.21 114.58 119.12 3a47 h GLU 88 Ca 0.38 -0.09 0.03 0.00 -1.18 0.00 0.00 59.36 58.50 3a47 h GLU 88 Cb 0.22 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 3a47 h GLU 88 CO -0.19 0.63 0.53 -0.44 -1.18 0.00 0.00 179.01 178.36 3a47 h ASP 89 N 0.86 0.89 -0.30 1.04 3.32 -1.67 0.04 116.42 120.60 3a47 h ASP 89 Ca 0.22 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 3a47 h ASP 89 Cb 0.03 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3a47 h ASP 89 CO -0.04 0.61 -0.08 0.00 -1.72 0.00 0.00 179.24 178.02 3a47 h PHE 91 N 0.35 1.24 -0.67 0.00 0.05 -0.78 0.07 116.94 117.20 3a47 h PHE 91 Ca 0.07 -0.04 -0.05 0.00 3.82 0.00 0.00 57.97 61.77 3a47 h PHE 91 Cb 0.58 -0.39 -0.03 0.00 2.00 0.00 0.00 35.95 38.11 3a47 h PHE 91 CO 0.05 0.87 0.22 0.00 -0.18 0.00 0.00 178.31 179.27 3a47 h ALA 92 N 1.25 1.12 -0.46 2.45 0.00 -0.78 -0.90 119.26 121.94 3a47 h ALA 92 Ca 0.31 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3a47 h ALA 92 Cb 0.06 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3a47 h ALA 92 CO -0.05 0.61 0.09 1.25 0.00 0.00 0.00 179.25 181.15 3a47 h LEU 93 N 0.98 0.72 -0.59 0.00 5.85 -0.19 0.14 115.31 122.22 3a47 h LEU 93 Ca 0.22 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3a47 h LEU 93 Cb 0.26 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3a47 h LEU 93 CO -0.01 0.79 0.35 0.40 -0.34 0.00 0.00 178.44 179.63 3a47 h ILE 94 N 0.63 1.17 -0.59 4.05 2.04 -0.77 -0.84 117.51 123.20 3a47 h ILE 94 Ca 0.14 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 3a47 h ILE 94 Cb 0.36 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3a47 h ILE 94 CO 0.01 0.18 0.14 -0.08 0.00 0.00 0.00 178.15 178.40 3a47 h GLU 95 N 0.79 0.95 -0.68 2.37 4.81 -0.96 -1.38 114.58 120.48 3a47 h GLU 95 Ca 0.21 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3a47 h GLU 95 Cb -0.01 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 3a47 h GLU 95 CO -0.04 0.87 0.24 -0.22 -0.73 0.00 0.00 179.01 179.13 3a47 h LYS 96 N 0.86 1.04 -0.16 1.92 3.64 -0.73 0.12 116.57 123.26 3a47 h LYS 96 Ca 0.19 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3a47 h LYS 96 Cb 0.35 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3a47 h LYS 96 CO 0.00 0.89 0.05 1.15 -2.27 0.00 0.00 179.45 179.27 3a47 h THR 97 N 0.98 0.96 -0.71 1.00 2.02 -0.97 -2.20 112.91 113.99 3a47 h THR 97 Ca 0.22 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 3a47 h THR 97 Cb 0.26 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 3a47 h THR 97 CO -0.01 0.02 0.40 0.45 0.37 0.00 0.00 175.52 176.75 3a47 h HIS 98 N 0.13 0.97 0.00 3.16 3.86 -0.82 -1.95 115.15 120.50 3a47 h HIS 98 Ca 0.07 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3a47 h HIS 98 Cb 0.04 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.20 3a47 h HIS 98 CO -0.11 0.68 0.00 0.87 0.86 0.00 0.00 177.93 180.23 3a47 h LYS 99 N 0.98 0.00 -0.01 2.45 1.57 -0.53 0.45 116.57 121.48 3a47 h LYS 99 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 3a47 h LYS 99 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3a47 h LYS 99 CO -0.04 0.00 -0.05 1.28 -0.57 0.00 0.00 179.45 180.07 3a47 n LEU 100 N -2.40 0.85 -0.01 2.94 4.77 -0.85 -4.93 117.00 117.37 3a47 n LEU 100 Ca 0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3a47 n LEU 100 Cb 0.26 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3a47 n LEU 100 CO 0.22 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3a47 n GLY 101 N 1.17 0.46 3.46 -0.72 0.00 0.15 -5.07 105.19 104.63 3a47 n GLY 101 Ca 0.19 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 3a47 n GLY 101 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a47 s MET 102 N -3.89 1.66 0.47 1.61 -1.94 -0.78 -4.92 119.30 111.50 3a47 s MET 102 Ca 0.00 -1.32 -0.02 0.00 -1.71 0.00 0.00 55.69 52.64 3a47 s MET 102 Cb 0.00 -2.00 -0.02 0.00 2.01 0.00 0.00 34.83 34.82 3a47 s MET 102 CO 0.00 0.45 0.72 0.15 -0.01 0.00 0.00 175.02 176.33 3a47 s LYS 103 N -2.35 3.24 -0.08 2.03 -0.14 -0.56 -3.56 119.74 118.32 3a47 s LYS 103 Ca 0.19 -0.18 -0.01 0.00 -1.36 0.00 0.00 55.97 54.60 3a47 s LYS 103 Cb -0.10 -2.48 0.03 0.00 -1.68 0.00 0.00 37.83 33.61 3a47 s LYS 103 CO 0.10 -0.25 -0.01 0.12 -0.76 0.00 0.00 175.35 174.54 3a47 s PHE 104 N -2.64 0.84 0.08 3.18 5.36 -1.26 -1.07 117.98 122.47 3a47 s PHE 104 Ca 0.47 -0.30 0.09 0.00 -0.96 0.00 0.00 56.93 56.24 3a47 s PHE 104 Cb -0.10 -0.89 -0.03 0.00 -0.34 0.00 0.00 43.02 41.65 3a47 s PHE 104 CO 0.41 -0.37 -0.23 0.96 -1.46 0.00 0.00 175.22 174.52 3a47 s ILE 105 N 1.92 2.45 0.27 3.12 -4.36 0.20 -0.06 121.20 124.74 3a47 s ILE 105 Ca 0.05 -1.47 0.10 0.00 -0.26 0.00 0.00 60.65 59.07 3a47 s ILE 105 Cb -0.12 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.50 3a47 s ILE 105 CO -0.06 0.23 -0.01 0.28 0.24 0.00 0.00 174.94 175.63 3a47 s THR 106 N -0.96 3.37 -0.23 8.37 -1.32 -0.95 -2.59 115.64 121.32 3a47 s THR 106 Ca 0.14 -1.93 -0.19 0.00 -1.21 0.00 0.00 61.69 58.50 3a47 s THR 106 Cb -0.10 -2.82 -0.03 0.00 -1.51 0.00 0.00 72.50 68.04 3a47 s THR 106 CO 0.05 -0.36 0.58 -0.62 -2.21 0.00 0.00 174.62 172.06 3a47 s ASP 107 N -3.67 6.57 -0.41 8.08 -1.08 -1.23 -1.14 116.67 123.79 3a47 s ASP 107 Ca 0.32 0.69 -0.11 0.00 -0.52 0.00 0.00 52.55 52.93 3a47 s ASP 107 Cb -0.06 -2.32 0.05 0.00 -1.46 0.00 0.00 42.92 39.13 3a47 s ASP 107 CO 0.20 -0.28 0.26 -0.22 0.52 0.00 0.00 175.17 175.64 3a47 s LEU 108 N 2.11 5.02 -0.52 -1.34 2.96 0.11 -4.82 118.68 122.20 3a47 s LEU 108 Ca 0.25 -1.20 0.04 0.00 -0.22 0.00 0.00 54.13 53.00 3a47 s LEU 108 Cb -0.16 -2.04 0.13 0.00 0.50 0.00 0.00 46.19 44.62 3a47 s LEU 108 CO 0.09 -0.48 0.26 -0.69 -1.32 0.00 0.00 176.35 174.21 3a47 s VAL 109 N 1.53 2.57 -0.01 1.68 1.01 -1.26 -0.98 120.40 124.93 3a47 s VAL 109 Ca 0.03 -3.31 0.02 0.00 0.00 0.00 0.00 61.98 58.72 3a47 s VAL 109 Cb -0.21 -2.79 0.03 0.00 0.00 0.00 0.00 36.38 33.41 3a47 s VAL 109 CO 0.05 -0.80 0.77 2.30 0.00 0.00 0.00 175.10 177.43 3a47 n ILE 110 N 3.12 0.44 0.18 2.22 -5.35 -1.26 -4.50 119.36 114.20 3a47 n ILE 110 Ca 0.05 -0.47 0.02 0.00 -0.27 0.00 0.00 62.75 62.08 3a47 n ILE 110 Cb 0.32 0.67 0.33 0.00 -1.74 0.00 0.00 39.64 39.22 3a47 n ILE 110 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 3a47 h ASN 111 N 0.00 0.00 -5.06 7.28 -0.73 -1.88 -3.44 115.58 111.76 3a47 h ASN 111 Ca 0.00 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.13 3a47 h ASN 111 Cb 0.93 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 39.40 3a47 h ASN 111 CO 0.00 0.41 0.02 -1.38 -0.37 0.00 0.00 177.43 176.12 3a47 s HIS 112 N -4.07 -0.28 0.37 0.67 -3.43 -1.26 -0.73 115.29 106.56 3a47 s HIS 112 Ca -0.02 -0.01 0.04 0.00 -0.80 0.00 0.00 55.06 54.27 3a47 s HIS 112 Cb 0.14 0.37 -0.03 0.00 -1.43 0.00 0.00 32.58 31.62 3a47 s HIS 112 CO 0.73 -0.78 0.14 0.00 -2.00 0.00 0.00 174.74 172.83 3a47 s SER 114 N -3.53 6.17 0.17 0.00 0.15 0.25 -2.70 113.70 114.21 3a47 s SER 114 Ca 0.29 2.36 0.14 0.00 0.70 0.00 0.00 55.95 59.44 3a47 s SER 114 Cb 0.04 -2.61 0.70 0.00 -1.71 0.00 0.00 66.02 62.44 3a47 s SER 114 CO 0.16 -0.92 1.43 -1.54 1.20 0.00 0.00 173.24 173.57 3a47 n SER 115 N -0.42 0.33 -0.13 5.45 3.41 -0.32 -1.27 113.62 120.67 3a47 n SER 115 Ca 0.07 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.45 3a47 n SER 115 Cb 0.47 -0.68 0.53 0.00 -0.26 0.00 0.00 64.21 64.27 3a47 n SER 115 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a47 n GLU 116 N -1.92 0.62 -2.07 4.33 -0.58 -1.26 -4.04 120.64 115.72 3a47 n GLU 116 Ca 0.00 -0.26 -0.41 0.00 -0.42 0.00 0.00 57.16 56.08 3a47 n GLU 116 Cb 0.07 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.43 3a47 n GLU 116 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3a47 s HIS 117 N -2.56 2.99 0.50 -0.32 2.46 -0.40 -4.82 115.29 113.14 3a47 s HIS 117 Ca 0.25 1.37 0.24 0.00 0.47 0.00 0.00 55.06 57.39 3a47 s HIS 117 Cb 0.20 -3.73 1.32 0.00 -0.13 0.00 0.00 32.58 30.23 3a47 s HIS 117 CO 0.51 -2.04 1.93 0.93 -2.47 0.00 0.00 174.74 173.60 3a47 h GLU 118 N 3.41 0.13 -0.66 2.88 4.39 -1.90 -0.08 114.58 122.75 3a47 h GLU 118 Ca -0.49 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.21 3a47 h GLU 118 Cb 1.23 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.82 3a47 h GLU 118 CO 0.66 0.09 0.43 -1.49 -1.16 0.00 0.00 179.01 177.54 3a47 h TRP 119 N 0.13 0.84 0.09 4.33 6.55 -1.93 -1.06 115.95 124.91 3a47 h TRP 119 Ca 0.36 0.02 -0.27 0.00 0.95 0.00 0.00 58.89 59.94 3a47 h TRP 119 Cb 1.21 -0.28 0.01 0.00 -0.86 0.00 0.00 29.16 29.24 3a47 h TRP 119 CO -0.00 0.53 -1.16 0.35 -1.05 0.00 0.00 178.44 177.11 3a47 h PHE 120 N 0.90 0.71 -0.82 0.49 3.57 -1.36 -0.40 116.94 120.03 3a47 h PHE 120 Ca 0.24 -0.45 0.10 0.00 3.53 0.00 0.00 57.97 61.39 3a47 h PHE 120 Cb -0.10 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.52 3a47 h PHE 120 CO -0.03 1.31 0.47 0.87 -2.23 0.00 0.00 178.31 178.70 3a47 h LYS 121 N 0.18 0.76 0.05 1.11 1.57 -1.01 0.10 116.57 119.33 3a47 h LYS 121 Ca -0.14 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3a47 h LYS 121 Cb 1.84 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.98 3a47 h LYS 121 CO 0.21 0.50 -0.02 1.49 -0.57 0.00 0.00 179.45 181.05 3a47 h GLU 122 N 0.78 -0.07 -0.69 3.15 4.81 -1.13 -3.12 114.58 118.31 3a47 h GLU 122 Ca 0.40 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.76 3a47 h GLU 122 Cb 0.37 0.02 -0.09 0.00 0.63 0.00 0.00 28.75 29.67 3a47 h GLU 122 CO -0.25 0.35 0.23 1.03 -0.73 0.00 0.00 179.01 179.63 3a47 h SER 123 N -0.50 0.15 0.91 1.04 0.87 -0.59 -1.43 113.55 114.00 3a47 h SER 123 Ca -0.01 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 3a47 h SER 123 Cb 0.45 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 3a47 h SER 123 CO 0.01 0.06 0.00 -2.11 -0.53 0.00 0.00 176.83 174.26 3a47 n ARG 124 N -5.06 0.00 0.26 2.24 1.85 0.31 -3.97 116.66 112.29 3a47 n ARG 124 Ca 0.12 0.05 0.14 0.00 -1.00 0.00 0.00 57.85 57.16 3a47 n ARG 124 Cb 0.38 -1.50 0.59 0.00 -1.05 0.00 0.00 32.46 30.88 3a47 n ARG 124 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3a47 h SER 125 N 0.00 0.00 -5.49 2.89 4.64 -1.19 -3.43 113.55 110.97 3a47 h SER 125 Ca 0.00 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.54 3a47 h SER 125 Cb 0.46 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.47 3a47 h SER 125 CO 0.00 0.08 0.62 -0.94 -0.87 0.00 0.00 176.83 175.72 3a47 s SER 126 N -5.90 -0.09 0.00 4.97 1.04 -1.25 -4.98 113.70 107.48 3a47 s SER 126 Ca 0.01 -0.39 0.26 0.00 0.48 0.00 0.00 55.95 56.32 3a47 s SER 126 Cb 0.09 0.39 0.76 0.00 0.10 0.00 0.00 66.02 67.36 3a47 s SER 126 CO 0.58 -0.74 1.57 0.29 0.98 0.00 0.00 173.24 175.93 3a47 n LYS 127 N -0.55 0.62 0.00 4.02 5.02 -1.26 -4.35 118.16 121.65 3a47 n LYS 127 Ca -0.05 -0.35 0.03 0.00 -2.02 0.00 0.00 58.31 55.92 3a47 n LYS 127 Cb 0.61 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 34.12 3a47 n LYS 127 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3a47 n THR 128 N -0.89 0.00 -1.59 -0.18 -2.24 -1.26 -4.90 114.28 103.22 3a47 n THR 128 Ca 0.11 -0.42 -0.32 0.00 -2.27 0.00 0.00 64.05 61.15 3a47 n THR 128 Cb 0.34 1.05 0.06 0.00 -2.10 0.00 0.00 70.33 69.67 3a47 n THR 128 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3a47 s ASN 129 N -1.14 5.14 0.65 3.42 4.22 -1.26 -4.92 114.94 121.04 3a47 s ASN 129 Ca 0.04 1.77 0.41 0.00 -2.14 0.00 0.00 52.86 52.95 3a47 s ASN 129 Cb 0.04 -2.52 2.28 0.00 1.28 0.00 0.00 41.25 42.34 3a47 s ASN 129 CO 0.17 -1.60 2.34 -0.65 -2.04 0.00 0.00 177.10 175.32 3a47 h PRO 130 N -0.52 0.00 -0.57 3.55 0.11 -1.96 -2.12 132.00 130.49 3a47 h PRO 130 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3a47 h PRO 130 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3a47 h PRO 130 CO 0.55 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.97 3a47 n LYS 131 N -3.26 3.10 -0.14 1.05 5.02 -1.26 -4.61 118.16 118.06 3a47 n LYS 131 Ca -0.03 -2.58 -0.03 0.00 -2.02 0.00 0.00 58.31 53.64 3a47 n LYS 131 Cb 0.08 -1.61 0.05 0.00 -0.02 0.00 0.00 35.03 33.53 3a47 n LYS 131 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3a47 h ARG 132 N 3.42 0.24 -0.84 1.97 9.65 -1.61 -1.92 114.38 125.30 3a47 h ARG 132 Ca 0.00 -0.01 -0.18 0.00 -1.10 0.00 0.00 59.98 58.68 3a47 h ARG 132 Cb 1.10 -0.05 -0.11 0.00 -1.39 0.00 0.00 29.97 29.52 3a47 h ARG 132 CO 0.09 0.16 0.23 -0.25 2.80 0.00 0.00 179.97 183.00 3a47 n ASP 133 N -5.08 4.08 -0.00 -3.80 8.00 -1.26 -3.41 116.55 115.07 3a47 n ASP 133 Ca 0.04 -2.93 0.14 0.00 0.71 0.00 0.00 54.79 52.76 3a47 n ASP 133 Cb 0.21 -0.69 0.69 0.00 -0.02 0.00 0.00 41.12 41.31 3a47 n ASP 133 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3a47 n TRP 134 N -0.09 0.00 -4.39 1.24 7.02 -0.72 -4.64 117.44 115.86 3a47 n TRP 134 Ca 0.32 0.00 -0.21 0.00 -1.02 0.00 0.00 57.50 56.59 3a47 n TRP 134 Cb 1.15 -0.37 -0.09 0.00 -2.42 0.00 0.00 31.31 29.59 3a47 n TRP 134 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 3a47 s PHE 135 N -2.76 1.70 -0.44 -5.99 0.40 -1.22 -0.32 117.98 109.35 3a47 s PHE 135 Ca 0.22 -1.40 -0.15 0.00 -0.60 0.00 0.00 56.93 55.00 3a47 s PHE 135 Cb 0.20 -0.93 0.05 0.00 0.51 0.00 0.00 43.02 42.84 3a47 s PHE 135 CO 0.49 -0.52 0.36 -0.06 0.70 0.00 0.00 175.22 176.20 3a47 s PHE 136 N -3.43 3.24 -0.13 0.36 0.40 -1.25 -4.71 117.98 112.45 3a47 s PHE 136 Ca 0.33 -0.76 -0.00 0.00 -0.60 0.00 0.00 56.93 55.89 3a47 s PHE 136 Cb 0.04 -2.92 -0.02 0.00 0.51 0.00 0.00 43.02 40.63 3a47 s PHE 136 CO 0.19 -0.71 -0.12 -1.58 0.70 0.00 0.00 175.22 173.70 3a47 s TRP 137 N 1.69 2.84 -0.02 0.36 0.52 -1.26 -1.76 118.94 121.30 3a47 s TRP 137 Ca 0.05 -0.56 -0.04 0.00 0.02 0.00 0.00 56.10 55.56 3a47 s TRP 137 Cb -0.22 -1.85 0.00 0.00 -1.15 0.00 0.00 33.47 30.26 3a47 s TRP 137 CO 0.08 -0.16 0.10 1.03 0.02 0.00 0.00 176.95 178.02 3a47 s ARG 138 N 0.28 0.26 0.86 4.98 1.81 -0.27 -4.98 118.95 121.89 3a47 s ARG 138 Ca -0.09 -0.13 -0.11 0.00 -1.72 0.00 0.00 55.73 53.69 3a47 s ARG 138 Cb -0.15 0.11 0.11 0.00 -0.45 0.00 0.00 34.95 34.56 3a47 s ARG 138 CO 0.05 -0.05 1.10 -1.25 -0.68 0.00 0.00 175.30 174.47 3a47 s PRO 139 N -0.61 1.57 0.54 3.54 0.04 -1.26 -0.34 135.00 138.49 3a47 s PRO 139 Ca -0.07 1.11 -0.21 0.00 0.04 0.00 0.00 61.00 61.87 3a47 s PRO 139 Cb -0.04 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.62 3a47 s PRO 139 CO 0.00 -2.11 1.25 -2.30 0.04 0.00 0.00 177.00 173.89 3a47 n PRO 140 N -3.83 1.52 0.22 0.56 -0.02 -1.26 -4.46 135.00 127.73 3a47 n PRO 140 Ca 0.09 0.56 0.06 0.00 -2.02 0.00 0.00 63.50 62.18 3a47 n PRO 140 Cb 0.54 -2.45 0.52 0.00 -0.02 0.00 0.00 33.50 32.09 3a47 n PRO 140 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3a47 h LYS 141 N 1.28 0.02 0.00 -0.52 3.64 -1.07 -3.48 116.57 116.44 3a47 h LYS 141 Ca -0.50 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 3a47 h LYS 141 Cb 1.32 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.14 3a47 h LYS 141 CO 0.56 0.16 0.00 0.41 -2.27 0.00 0.00 179.45 178.31 3a47 n GLY 142 N -1.11 -0.56 3.20 5.01 0.00 -1.26 -5.01 105.19 105.47 3a47 n GLY 142 Ca -0.02 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 3a47 n GLY 142 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a47 s TYR 143 N -3.20 1.51 0.85 1.61 1.51 -1.26 -0.68 117.35 117.68 3a47 s TYR 143 Ca 0.00 -0.37 -0.08 0.00 -1.01 0.00 0.00 57.07 55.61 3a47 s TYR 143 Cb 0.00 -0.89 0.18 0.00 -0.11 0.00 0.00 41.96 41.14 3a47 s TYR 143 CO 0.00 0.07 1.16 -0.40 -1.11 0.00 0.00 175.55 175.27 3a47 n ASP 144 N 1.82 0.72 0.31 2.29 5.68 0.07 -4.87 116.55 122.56 3a47 n ASP 144 Ca -0.18 -1.80 0.19 0.00 -0.50 0.00 0.00 54.79 52.50 3a47 n ASP 144 Cb 0.54 -0.83 1.03 0.00 -1.14 0.00 0.00 41.12 40.72 3a47 n ASP 144 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a47 h ALA 145 N -1.21 1.15 -0.01 2.12 0.00 -2.02 0.14 119.26 119.44 3a47 h ALA 145 Ca -0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3a47 h ALA 145 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3a47 h ALA 145 CO 0.33 0.02 -0.36 0.39 0.00 0.00 0.00 179.25 179.63 3a47 n GLU 146 N -3.32 0.71 -0.39 0.00 4.71 -1.26 -4.96 120.64 116.13 3a47 n GLU 146 Ca -0.02 -0.45 0.00 0.00 -0.01 0.00 0.00 57.16 56.67 3a47 n GLU 146 Cb 0.12 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.06 3a47 n GLU 146 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3a47 n GLY 147 N 1.38 0.77 3.79 0.62 0.00 0.50 -5.07 105.19 107.18 3a47 n GLY 147 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3a47 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a47 s LYS 148 N -0.61 4.44 0.39 1.61 1.02 -1.26 -4.73 119.74 120.59 3a47 s LYS 148 Ca 0.00 1.05 -0.26 0.00 0.02 0.00 0.00 55.97 56.78 3a47 s LYS 148 Cb 0.00 -3.08 -0.09 0.00 -0.52 0.00 0.00 37.83 34.14 3a47 s LYS 148 CO 0.00 0.49 1.27 -1.25 -0.92 0.00 0.00 175.35 174.93 3a47 s PRO 149 N -1.52 4.04 -0.14 -1.68 0.04 -1.26 -0.75 135.00 133.72 3a47 s PRO 149 Ca 0.39 2.08 -0.14 0.00 0.04 0.00 0.00 61.00 63.37 3a47 s PRO 149 Cb -0.20 -2.78 -0.05 0.00 0.04 0.00 0.00 34.50 31.51 3a47 s PRO 149 CO 0.24 -0.41 0.31 0.42 0.04 0.00 0.00 177.00 177.60 3a47 s ILE 150 N -1.28 5.28 0.82 0.56 1.01 0.14 -4.84 121.20 122.89 3a47 s ILE 150 Ca 0.56 0.59 -0.10 0.00 0.00 0.00 0.00 60.65 61.70 3a47 s ILE 150 Cb -0.36 -3.64 0.09 0.00 0.01 0.00 0.00 42.46 38.55 3a47 s ILE 150 CO 0.47 0.41 1.12 -2.16 0.00 0.00 0.00 174.94 174.77 3a47 s PRO 151 N 0.28 1.78 0.46 2.79 0.04 -1.26 -0.72 135.00 138.37 3a47 s PRO 151 Ca 0.18 1.33 0.14 0.00 0.04 0.00 0.00 61.00 62.69 3a47 s PRO 151 Cb -0.13 -1.83 1.10 0.00 0.04 0.00 0.00 34.50 33.68 3a47 s PRO 151 CO 0.05 -2.03 2.05 -1.35 0.04 0.00 0.00 177.00 175.76 3a47 h PRO 152 N -1.38 0.27 0.00 0.56 0.11 -1.91 -3.36 132.00 126.30 3a47 h PRO 152 Ca -0.43 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.46 3a47 h PRO 152 Cb 1.25 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 3a47 h PRO 152 CO 0.47 0.18 -0.07 0.27 -0.21 0.00 0.00 178.00 178.65 3a47 n ASN 153 N -4.48 -1.24 -1.07 -2.05 0.23 -1.26 -4.82 115.26 100.57 3a47 n ASN 153 Ca 0.05 -2.54 0.06 0.00 -0.53 0.00 0.00 54.58 51.62 3a47 n ASN 153 Cb 0.25 2.26 0.22 0.00 -2.08 0.00 0.00 39.78 40.44 3a47 n ASN 153 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3a47 n ASN 154 N -1.67 3.09 -4.77 0.53 6.94 -1.26 -4.94 115.26 113.18 3a47 n ASN 154 Ca -0.01 -2.24 -0.41 0.00 -0.02 0.00 0.00 54.58 51.90 3a47 n ASN 154 Cb 0.49 -0.44 -0.02 0.00 -2.36 0.00 0.00 39.78 37.45 3a47 n ASN 154 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3a47 s TRP 155 N -1.68 2.91 0.02 -2.53 0.52 -1.26 -0.64 118.94 116.27 3a47 s TRP 155 Ca 0.32 1.27 -0.16 0.00 0.02 0.00 0.00 56.10 57.55 3a47 s TRP 155 Cb 0.20 -3.81 -0.06 0.00 -1.15 0.00 0.00 33.47 28.66 3a47 s TRP 155 CO 0.16 -2.34 0.46 0.21 0.02 0.00 0.00 176.95 175.46 3a47 s LYS 156 N -1.62 4.01 0.52 4.98 2.20 0.12 -1.05 119.74 128.90 3a47 s LYS 156 Ca 0.52 0.51 -0.20 0.00 -0.36 0.00 0.00 55.97 56.44 3a47 s LYS 156 Cb -0.42 -3.23 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 3a47 s LYS 156 CO 0.54 0.67 1.13 0.45 -0.36 0.00 0.00 175.35 177.78 3a47 s SER 157 N -1.05 5.83 0.64 1.43 0.15 0.25 -4.54 113.70 116.41 3a47 s SER 157 Ca 0.25 2.19 0.35 0.00 0.70 0.00 0.00 55.95 59.45 3a47 s SER 157 Cb -0.17 -2.58 1.96 0.00 -1.71 0.00 0.00 66.02 63.51 3a47 s SER 157 CO 0.15 -1.14 2.17 1.88 1.20 0.00 0.00 173.24 177.50 3a47 h TYR 158 N 1.38 0.00 -0.49 3.44 -1.99 -0.74 -1.82 116.97 116.74 3a47 h TYR 158 Ca -0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.23 3a47 h TYR 158 Cb 1.26 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.99 3a47 h TYR 158 CO 0.52 0.00 0.00 1.19 -0.00 0.00 0.00 178.16 179.87 3a47 n PHE 159 N -3.29 0.65 0.00 4.88 3.72 -1.26 -5.05 117.46 117.11 3a47 n PHE 159 Ca -0.01 -0.45 0.00 0.00 -0.05 0.00 0.00 57.45 56.93 3a47 n PHE 159 Cb 0.23 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 3a47 n PHE 159 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a47 n GLY 160 N 1.07 2.38 7.00 1.37 0.00 -0.69 -1.40 105.19 114.92 3a47 n GLY 160 Ca 0.17 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3a47 n GLY 160 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a47 n GLY 161 N 1.55 -1.69 3.77 -0.02 0.00 -1.26 -4.38 105.19 103.15 3a47 n GLY 161 Ca 0.00 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.37 3a47 n GLY 161 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3a47 s SER 162 N -4.00 5.90 -0.12 1.61 0.15 -1.26 -0.58 113.70 115.39 3a47 s SER 162 Ca 0.00 2.30 0.06 0.00 0.70 0.00 0.00 55.95 59.01 3a47 s SER 162 Cb 0.00 -2.60 0.40 0.00 -1.71 0.00 0.00 66.02 62.11 3a47 s SER 162 CO 0.00 -1.11 1.13 0.00 1.20 0.00 0.00 173.24 174.47 3a47 n ALA 163 N -0.87 3.24 -2.68 5.45 0.00 -0.22 -4.13 120.51 121.31 3a47 n ALA 163 Ca 0.09 -0.96 -0.19 0.00 0.00 0.00 0.00 53.44 52.38 3a47 n ALA 163 Cb 0.49 -1.07 -0.12 0.00 0.00 0.00 0.00 19.45 18.74 3a47 n ALA 163 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3a47 s TRP 164 N -1.84 1.26 -0.05 0.00 0.52 -1.26 -0.67 118.94 116.90 3a47 s TRP 164 Ca 0.27 -0.43 0.04 0.00 0.02 0.00 0.00 56.10 55.99 3a47 s TRP 164 Cb 0.21 -0.72 0.00 0.00 -1.15 0.00 0.00 33.47 31.81 3a47 s TRP 164 CO 0.08 0.06 -0.15 0.99 0.02 0.00 0.00 176.95 177.95 3a47 s THR 165 N -1.16 1.29 0.06 2.01 2.01 -0.56 -4.95 115.64 114.34 3a47 s THR 165 Ca -0.01 -0.62 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 3a47 s THR 165 Cb -0.09 -1.13 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 3a47 s THR 165 CO 0.02 0.38 0.92 0.12 -0.69 0.00 0.00 174.62 175.37 3a47 s PHE 166 N 0.20 3.75 -0.34 4.92 5.36 -1.26 -0.89 117.98 129.72 3a47 s PHE 166 Ca -0.07 1.70 -0.12 0.00 -0.96 0.00 0.00 56.93 57.48 3a47 s PHE 166 Cb -0.12 -3.02 -0.01 0.00 -0.34 0.00 0.00 43.02 39.53 3a47 s PHE 166 CO 0.02 0.16 0.22 0.34 -1.46 0.00 0.00 175.22 174.50 3a47 s ASP 167 N 0.29 5.90 0.21 6.13 3.68 0.08 -4.97 116.67 127.99 3a47 s ASP 167 Ca 0.46 -0.56 -0.10 0.00 2.13 0.00 0.00 52.55 54.49 3a47 s ASP 167 Cb -0.22 -2.09 0.16 0.00 -1.45 0.00 0.00 42.92 39.32 3a47 s ASP 167 CO 0.28 -0.26 1.86 -0.33 0.13 0.00 0.00 175.17 176.84 3a47 h GLU 168 N 8.47 1.05 0.34 4.34 4.39 -1.96 -0.19 114.58 131.01 3a47 h GLU 168 Ca -0.30 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 3a47 h GLU 168 Cb 1.14 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 3a47 h GLU 168 CO 0.64 0.74 -0.16 -0.22 -1.16 0.00 0.00 179.01 178.85 3a47 h LYS 169 N 1.06 -0.44 -0.02 2.33 3.64 -1.94 -3.18 116.57 118.03 3a47 h LYS 169 Ca 0.28 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3a47 h LYS 169 Cb -0.05 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3a47 h LYS 169 CO -0.05 -0.29 -0.12 0.25 -2.27 0.00 0.00 179.45 176.97 3a47 n THR 170 N -5.28 0.00 -2.79 1.00 -2.24 -1.22 -4.97 114.28 98.77 3a47 n THR 170 Ca -0.10 -0.37 -0.21 0.00 -2.27 0.00 0.00 64.05 61.09 3a47 n THR 170 Cb 0.20 1.16 0.02 0.00 -2.10 0.00 0.00 70.33 69.61 3a47 n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a47 n GLN 171 N 0.67 -3.75 -4.21 -0.78 1.13 -0.09 -4.99 117.38 105.37 3a47 n GLN 171 Ca 0.14 0.93 -0.14 0.00 -1.94 0.00 0.00 57.00 55.99 3a47 n GLN 171 Cb 0.50 -5.68 -0.10 0.00 0.11 0.00 0.00 30.24 25.07 3a47 n GLN 171 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3a47 s GLU 172 N -5.45 0.93 0.20 -1.09 2.02 -1.19 -4.52 118.70 109.59 3a47 s GLU 172 Ca 0.20 -1.30 -0.13 0.00 0.02 0.00 0.00 54.97 53.76 3a47 s GLU 172 Cb -0.09 -0.53 -0.07 0.00 0.10 0.00 0.00 34.13 33.54 3a47 s GLU 172 CO 0.24 0.07 0.58 -0.06 0.02 0.00 0.00 175.26 176.11 3a47 s PHE 173 N -2.95 3.53 0.08 1.61 0.40 0.54 -0.74 117.98 120.45 3a47 s PHE 173 Ca 0.11 1.04 0.08 0.00 -0.60 0.00 0.00 56.93 57.56 3a47 s PHE 173 Cb 0.00 -2.37 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 3a47 s PHE 173 CO -0.00 0.33 -0.18 1.52 0.70 0.00 0.00 175.22 177.59 3a47 s TYR 174 N -1.64 2.55 0.10 0.36 1.13 -0.07 -1.12 117.35 118.67 3a47 s TYR 174 Ca 0.43 -0.26 -0.30 0.00 -1.41 0.00 0.00 57.07 55.53 3a47 s TYR 174 Cb -0.13 -1.40 -0.06 0.00 -1.10 0.00 0.00 41.96 39.27 3a47 s TYR 174 CO 0.20 0.32 0.98 -1.17 -2.51 0.00 0.00 175.55 173.37 3a47 s LEU 175 N -1.82 4.48 -0.32 -3.49 2.96 -0.73 -1.50 118.68 118.27 3a47 s LEU 175 Ca 0.16 1.81 0.00 0.00 -0.22 0.00 0.00 54.13 55.89 3a47 s LEU 175 Cb -0.11 -3.59 0.14 0.00 0.50 0.00 0.00 46.19 43.14 3a47 s LEU 175 CO 0.08 -0.11 0.30 0.00 -1.32 0.00 0.00 176.35 175.30 3a47 s ARG 176 N 0.11 0.42 0.56 1.98 1.04 0.16 -1.22 118.95 122.00 3a47 s ARG 176 Ca 0.48 -0.46 0.24 0.00 -1.04 0.00 0.00 55.73 54.95 3a47 s ARG 176 Cb -0.24 -0.76 1.59 0.00 -2.04 0.00 0.00 34.95 33.51 3a47 s ARG 176 CO 0.30 -1.09 2.21 -0.07 -0.04 0.00 0.00 175.30 176.61 3a47 h LEU 177 N 7.84 0.00 0.00 -1.89 3.38 -1.77 -3.40 115.31 119.46 3a47 h LEU 177 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3a47 h LEU 177 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3a47 h LEU 177 CO 0.30 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.32 3a47 n PHE 178 N -4.13 0.00 -1.90 1.13 3.72 -1.26 -0.07 117.46 114.95 3a47 n PHE 178 Ca -0.03 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.08 3a47 n PHE 178 Cb 0.09 0.00 0.11 0.00 -0.94 0.00 0.00 39.48 38.74 3a47 n PHE 178 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3a47 h SER 180 N -1.20 0.00 -0.53 0.00 4.64 -1.96 -1.39 113.55 113.11 3a47 h SER 180 Ca -0.46 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.69 3a47 h SER 180 Cb 1.31 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.30 3a47 h SER 180 CO 0.60 0.02 0.14 0.35 -0.87 0.00 0.00 176.83 177.06 3a47 n THR 181 N -3.47 2.68 -3.12 2.95 -2.24 -1.26 -4.57 114.28 105.25 3a47 n THR 181 Ca -0.03 -2.01 -0.27 0.00 -2.27 0.00 0.00 64.05 59.47 3a47 n THR 181 Cb 0.11 -0.33 -0.05 0.00 -2.10 0.00 0.00 70.33 67.96 3a47 n THR 181 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a47 n GLN 182 N -0.58 3.00 -1.69 -0.78 6.02 -0.52 -1.17 117.38 121.66 3a47 n GLN 182 Ca 0.35 -4.80 -0.45 0.00 -0.01 0.00 0.00 57.00 52.10 3a47 n GLN 182 Cb 1.18 -2.25 -0.04 0.00 1.02 0.00 0.00 30.24 30.16 3a47 n GLN 182 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3a47 n PRO 183 N 0.16 2.37 -2.02 -1.09 -0.04 -1.10 -4.43 135.00 128.85 3a47 n PRO 183 Ca 0.31 0.86 -0.41 0.00 -0.04 0.00 0.00 63.50 64.21 3a47 n PRO 183 Cb 0.40 -2.65 -0.02 0.00 -0.04 0.00 0.00 33.50 31.18 3a47 n PRO 183 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3a47 s ASP 184 N 0.97 6.67 0.27 3.54 1.11 -0.36 -2.36 116.67 126.51 3a47 s ASP 184 Ca 0.77 2.63 -0.29 0.00 0.18 0.00 0.00 52.55 55.84 3a47 s ASP 184 Cb -0.61 -2.62 -0.09 0.00 1.07 0.00 0.00 42.92 40.67 3a47 s ASP 184 CO 0.37 -0.71 1.02 -0.76 1.18 0.00 0.00 175.17 176.27 3a47 s LEU 185 N -0.09 4.55 -0.77 1.23 1.43 0.09 -3.95 118.68 121.17 3a47 s LEU 185 Ca 0.61 2.09 -0.20 0.00 -1.03 0.00 0.00 54.13 55.60 3a47 s LEU 185 Cb -0.42 -3.69 0.11 0.00 0.03 0.00 0.00 46.19 42.23 3a47 s LEU 185 CO 0.41 -0.03 0.96 0.21 0.23 0.00 0.00 176.35 178.13 3a47 s ASN 186 N -1.11 6.40 0.05 2.29 2.47 0.57 -4.88 114.94 120.73 3a47 s ASN 186 Ca 0.44 -1.64 0.14 0.00 0.42 0.00 0.00 52.86 52.22 3a47 s ASN 186 Cb -0.28 -2.37 0.59 0.00 -1.45 0.00 0.00 41.25 37.74 3a47 s ASN 186 CO 0.35 -1.15 1.43 0.79 -3.72 0.00 0.00 177.10 174.79 3a47 n TRP 187 N 6.67 0.14 0.27 0.43 7.02 -1.26 -1.71 117.44 129.01 3a47 n TRP 187 Ca 0.08 0.06 0.16 0.00 -1.02 0.00 0.00 57.50 56.78 3a47 n TRP 187 Cb 0.46 -0.60 0.69 0.00 -2.42 0.00 0.00 31.31 29.45 3a47 n TRP 187 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3a47 h GLU 188 N 0.00 0.00 -5.69 -0.99 4.39 -1.89 -3.41 114.58 106.99 3a47 h GLU 188 Ca 0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.08 3a47 h GLU 188 Cb 0.21 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 28.75 3a47 h GLU 188 CO 0.00 0.04 0.30 1.21 -1.16 0.00 0.00 179.01 179.41 3a47 s ASN 189 N -5.76 6.53 0.30 1.42 3.84 -0.69 -4.95 114.94 115.62 3a47 s ASN 189 Ca 0.00 0.33 0.03 0.00 0.21 0.00 0.00 52.86 53.44 3a47 s ASN 189 Cb 0.10 -2.37 0.47 0.00 -0.55 0.00 0.00 41.25 38.89 3a47 s ASN 189 CO 0.55 -0.67 1.76 -0.08 -2.79 0.00 0.00 177.10 175.88 3a47 h GLU 190 N 8.42 0.48 -0.76 0.43 4.81 -1.87 -1.63 114.58 124.47 3a47 h GLU 190 Ca -0.25 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 58.77 3a47 h GLU 190 Cb 1.10 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 3a47 h GLU 190 CO 0.88 0.65 0.29 -0.44 -0.73 0.00 0.00 179.01 179.67 3a47 h ASP 191 N 0.44 1.05 0.03 1.04 3.32 -1.95 -1.49 116.42 118.86 3a47 h ASP 191 Ca 0.07 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3a47 h ASP 191 Cb 0.58 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.86 3a47 h ASP 191 CO 0.04 0.95 -0.02 0.00 -1.72 0.00 0.00 179.24 178.49 3a47 h ARG 193 N -0.07 0.46 -0.75 0.00 3.08 -1.04 0.00 114.38 116.06 3a47 h ARG 193 Ca -0.00 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 3a47 h ARG 193 Cb 0.06 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 3a47 h ARG 193 CO 0.01 0.30 0.32 0.87 -1.07 0.00 0.00 179.97 180.40 3a47 h LYS 194 N 0.47 1.11 -0.65 0.04 1.57 -1.05 -0.68 116.57 117.39 3a47 h LYS 194 Ca 0.28 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.78 3a47 h LYS 194 Cb 0.27 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3a47 h LYS 194 CO -0.24 0.90 0.06 0.00 -0.57 0.00 0.00 179.45 179.60 3a47 h ALA 195 N 1.16 0.87 -0.20 3.86 0.00 -0.72 -1.42 119.26 122.82 3a47 h ALA 195 Ca 0.25 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3a47 h ALA 195 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3a47 h ALA 195 CO -0.02 0.67 0.12 0.82 0.00 0.00 0.00 179.25 180.84 3a47 h ILE 196 N 1.02 1.02 -0.51 0.00 2.04 -0.58 -1.78 117.51 118.73 3a47 h ILE 196 Ca 0.19 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 3a47 h ILE 196 Cb 0.50 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3a47 h ILE 196 CO 0.02 0.04 0.28 1.88 0.00 0.00 0.00 178.15 180.38 3a47 h TYR 197 N 0.24 0.70 -0.50 1.37 0.05 -0.91 -0.07 116.97 117.85 3a47 h TYR 197 Ca 0.08 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 3a47 h TYR 197 Cb -0.00 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.49 3a47 h TYR 197 CO -0.08 0.51 0.24 1.49 -1.05 0.00 0.00 178.16 179.27 3a47 h GLU 198 N 0.68 0.73 0.00 4.88 4.57 -1.08 0.33 114.58 124.68 3a47 h GLU 198 Ca 0.18 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 3a47 h GLU 198 Cb 0.04 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3a47 h GLU 198 CO -0.03 0.61 -0.52 1.03 -1.18 0.00 0.00 179.01 178.92 3a47 h SER 199 N 0.67 0.00 0.98 1.04 0.87 -1.16 -2.06 113.55 113.88 3a47 h SER 199 Ca 0.17 -0.77 -0.17 0.00 -1.23 0.00 0.00 61.79 59.79 3a47 h SER 199 Cb 0.12 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 3a47 h SER 199 CO -0.02 1.19 -1.09 0.00 -0.53 0.00 0.00 176.83 176.38 3a47 h ALA 200 N -0.23 0.63 0.00 6.23 0.00 -1.13 -3.36 119.26 121.40 3a47 h ALA 200 Ca -0.14 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 53.95 3a47 h ALA 200 Cb 1.11 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3a47 h ALA 200 CO -0.09 0.95 -0.65 0.28 0.00 0.00 0.00 179.25 179.75 3a47 n VAL 201 N -3.08 1.35 -0.23 0.00 0.31 -0.87 -4.57 118.33 111.23 3a47 n VAL 201 Ca -0.05 0.23 -0.06 0.00 -0.01 0.00 0.00 64.34 64.44 3a47 n VAL 201 Cb 0.85 -1.99 0.04 0.00 -0.91 0.00 0.00 33.84 31.83 3a47 n VAL 201 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3a47 h GLY 202 N -0.55 0.94 0.24 2.92 0.00 -0.32 -1.10 103.07 105.20 3a47 h GLY 202 Ca -0.03 -0.41 0.12 0.00 0.00 0.00 0.00 47.33 47.01 3a47 h GLY 202 CO -0.02 0.39 0.22 -1.82 0.00 0.00 0.00 176.54 175.31 3a47 h TYR 203 N 0.87 0.36 0.03 5.60 3.20 -1.52 0.61 116.97 126.13 3a47 h TYR 203 Ca 0.23 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.92 3a47 h TYR 203 Cb 0.01 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 3a47 h TYR 203 CO -0.01 0.04 -0.98 -1.49 -1.64 0.00 0.00 178.16 174.08 3a47 h TRP 204 N 0.37 0.29 -0.74 -3.82 4.06 -1.66 -2.45 115.95 112.00 3a47 h TRP 204 Ca 0.34 -0.18 0.01 0.00 2.06 0.00 0.00 58.89 61.12 3a47 h TRP 204 Cb 0.49 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.58 3a47 h TRP 204 CO -0.20 1.05 0.49 -0.07 -3.56 0.00 0.00 178.44 176.15 3a47 h LEU 205 N 0.08 0.84 -2.24 -4.49 3.38 -0.88 -2.11 115.31 109.90 3a47 h LEU 205 Ca -0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3a47 h LEU 205 Cb 1.65 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.19 3a47 h LEU 205 CO 0.15 0.61 -0.03 0.44 0.09 0.00 0.00 178.44 179.70 3a47 h ASP 206 N 1.00 0.00 -0.33 -0.43 3.32 -0.62 -2.42 116.42 116.94 3a47 h ASP 206 Ca 0.27 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 3a47 h ASP 206 Cb -0.11 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3a47 h ASP 206 CO -0.06 0.03 0.02 1.41 -1.72 0.00 0.00 179.24 178.91 3a47 n HIS 207 N -3.25 1.16 -0.50 4.55 8.25 -0.87 -4.99 115.22 119.57 3a47 n HIS 207 Ca -0.02 -1.00 0.00 0.00 -0.26 0.00 0.00 57.72 56.44 3a47 n HIS 207 Cb 0.18 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 30.91 3a47 n HIS 207 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a47 n GLY 208 N -0.51 0.73 3.75 -1.41 0.00 -0.85 -4.99 105.19 101.90 3a47 n GLY 208 Ca 0.25 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3a47 n GLY 208 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a47 s VAL 209 N -2.00 2.67 -2.17 1.61 -7.23 -0.98 -4.93 120.40 107.36 3a47 s VAL 209 Ca 0.00 0.37 0.25 0.00 -1.81 0.00 0.00 61.98 60.78 3a47 s VAL 209 Cb 0.00 -3.01 0.17 0.00 0.56 0.00 0.00 36.38 34.10 3a47 s VAL 209 CO 0.00 -0.14 1.34 0.47 -0.31 0.00 0.00 175.10 176.46 3a47 n ASP 210 N -2.09 1.83 0.00 4.85 8.00 0.91 -4.84 116.55 125.21 3a47 n ASP 210 Ca 0.13 -1.41 0.00 0.00 0.71 0.00 0.00 54.79 54.22 3a47 n ASP 210 Cb 0.50 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.84 3a47 n ASP 210 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a47 n GLY 211 N 1.36 -1.70 2.91 0.44 0.00 -1.22 -1.81 105.19 105.17 3a47 n GLY 211 Ca 0.12 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 3a47 n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a47 s PHE 212 N -2.66 0.29 -0.23 1.61 0.08 -0.38 -2.25 117.98 114.44 3a47 s PHE 212 Ca 0.00 -0.05 -0.12 0.00 0.12 0.00 0.00 56.93 56.88 3a47 s PHE 212 Cb 0.00 -0.20 -0.05 0.00 -0.57 0.00 0.00 43.02 42.20 3a47 s PHE 212 CO 0.00 -0.02 0.24 0.50 -0.10 0.00 0.00 175.22 175.84 3a47 s ARG 213 N 0.03 4.10 -0.41 0.44 3.00 -0.29 -1.19 118.95 124.63 3a47 s ARG 213 Ca 0.00 -0.12 -0.09 0.00 -1.00 0.00 0.00 55.73 54.52 3a47 s ARG 213 Cb -0.02 -3.54 0.07 0.00 0.00 0.00 0.00 34.95 31.46 3a47 s ARG 213 CO -0.00 0.02 0.24 0.42 0.00 0.00 0.00 175.30 175.99 3a47 s ILE 214 N 1.15 4.25 0.14 4.11 1.01 0.90 0.06 121.20 132.82 3a47 s ILE 214 Ca 0.11 -1.32 -0.31 0.00 0.00 0.00 0.00 60.65 59.13 3a47 s ILE 214 Cb -0.14 -3.56 -0.10 0.00 0.01 0.00 0.00 42.46 38.67 3a47 s ILE 214 CO 0.06 -0.45 1.64 -0.62 0.00 0.00 0.00 174.94 175.56 3a47 s ASP 215 N 2.00 6.55 -0.93 3.58 2.15 -0.16 -0.33 116.67 129.53 3a47 s ASP 215 Ca 0.03 2.63 -0.06 0.00 0.43 0.00 0.00 52.55 55.57 3a47 s ASP 215 Cb -0.22 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 39.82 3a47 s ASP 215 CO 0.03 -0.88 0.12 1.33 -0.17 0.00 0.00 175.17 175.59 3a47 n VAL 216 N 4.25 -0.91 0.30 1.11 0.24 -1.17 -4.56 118.33 117.60 3a47 n VAL 216 Ca 0.15 -0.33 0.05 0.00 -2.04 0.00 0.00 64.34 62.17 3a47 n VAL 216 Cb 0.39 -0.84 0.24 0.00 -1.47 0.00 0.00 33.84 32.16 3a47 n VAL 216 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a47 n GLY 217 N -1.93 -0.85 0.66 7.63 0.00 -1.00 -1.85 105.19 107.84 3a47 n GLY 217 Ca -0.17 -0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.94 3a47 n GLY 217 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a47 n SER 218 N -1.62 1.96 -0.57 1.61 3.41 -1.26 -4.15 113.62 112.99 3a47 n SER 218 Ca 0.02 -1.79 0.08 0.00 -0.26 0.00 0.00 58.87 56.92 3a47 n SER 218 Cb 0.11 -0.15 0.04 0.00 -0.26 0.00 0.00 64.21 63.96 3a47 n SER 218 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a47 n LEU 219 N 0.52 2.14 0.24 1.04 4.77 -0.77 -0.77 117.00 124.18 3a47 n LEU 219 Ca 0.16 -0.91 0.10 0.00 -0.03 0.00 0.00 56.01 55.33 3a47 n LEU 219 Cb 0.36 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 42.06 3a47 n LEU 219 CO 0.13 0.39 0.89 1.88 -1.33 0.00 0.00 177.39 179.34 3a47 h TYR 220 N 2.80 0.00 -3.56 -1.77 0.99 -1.78 -3.41 116.97 110.23 3a47 h TYR 220 Ca 0.00 0.00 -0.71 0.00 2.00 0.00 0.00 58.73 60.02 3a47 h TYR 220 Cb 0.66 0.00 -0.22 0.00 1.00 0.00 0.00 36.73 38.16 3a47 h TYR 220 CO 0.00 0.19 -0.48 0.45 -0.00 0.00 0.00 178.16 178.32 3a47 s SER 221 N -6.29 5.92 -0.07 3.88 0.15 -1.26 -4.43 113.70 111.60 3a47 s SER 221 Ca -0.02 -0.86 -0.12 0.00 0.70 0.00 0.00 55.95 55.65 3a47 s SER 221 Cb 0.13 -2.10 -0.05 0.00 -1.71 0.00 0.00 66.02 62.29 3a47 s SER 221 CO 0.62 -0.39 0.30 -0.54 1.20 0.00 0.00 173.24 174.43 3a47 s LYS 222 N 1.63 3.82 0.24 5.44 3.01 -1.26 -3.78 119.74 128.84 3a47 s LYS 222 Ca 0.04 0.18 -0.30 0.00 -1.01 0.00 0.00 55.97 54.88 3a47 s LYS 222 Cb -0.19 -3.25 -0.10 0.00 -1.01 0.00 0.00 37.83 33.29 3a47 s LYS 222 CO 0.09 0.64 1.35 0.08 0.51 0.00 0.00 175.35 178.02 3a47 s VAL 223 N -0.79 2.92 0.38 3.17 1.01 -0.06 -4.89 120.40 122.15 3a47 s VAL 223 Ca 0.20 0.80 -0.26 0.00 0.00 0.00 0.00 61.98 62.72 3a47 s VAL 223 Cb -0.14 -3.51 -0.11 0.00 0.00 0.00 0.00 36.38 32.61 3a47 s VAL 223 CO 0.09 0.14 1.13 0.55 0.00 0.00 0.00 175.10 177.01 3a47 n VAL 224 N 2.13 2.32 0.00 2.92 3.14 -1.26 -2.15 118.33 125.43 3a47 n VAL 224 Ca 0.05 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.93 3a47 n VAL 224 Cb 0.42 -1.32 0.00 0.00 -1.06 0.00 0.00 33.84 31.87 3a47 n VAL 224 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3a47 n GLY 225 N 1.01 2.20 4.03 7.55 0.00 -1.26 -4.44 105.19 114.27 3a47 n GLY 225 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 3a47 n GLY 225 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a47 n LEU 226 N 0.00 -0.98 -4.78 0.99 4.77 -0.91 -4.84 117.00 111.24 3a47 n LEU 226 Ca 0.00 -1.22 -0.33 0.00 -0.03 0.00 0.00 56.01 54.42 3a47 n LEU 226 Cb 0.00 -1.81 0.02 0.00 -2.33 0.00 0.00 43.42 39.30 3a47 n LEU 226 CO 0.00 0.67 0.74 -2.84 -1.33 0.00 0.00 177.39 174.64 3a47 s PRO 227 N -7.10 3.12 0.11 3.23 0.02 -1.26 -4.81 135.00 128.31 3a47 s PRO 227 Ca 0.39 1.40 -0.36 0.00 0.02 0.00 0.00 61.00 62.45 3a47 s PRO 227 Cb -0.19 -1.99 -0.17 0.00 0.02 0.00 0.00 34.50 32.17 3a47 s PRO 227 CO 0.95 -1.00 1.27 -0.25 -0.33 0.00 0.00 177.00 177.64 3a47 n ASP 228 N -1.96 1.45 -4.84 2.53 10.43 -1.26 -4.90 116.55 118.00 3a47 n ASP 228 Ca 0.10 1.13 -0.32 0.00 2.57 0.00 0.00 54.79 58.27 3a47 n ASP 228 Cb 0.52 -1.18 -0.01 0.00 1.84 0.00 0.00 41.12 42.28 3a47 n ASP 228 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3a47 s ALA 229 N 0.25 2.99 0.35 2.24 0.00 -1.26 -5.00 121.76 121.34 3a47 s ALA 229 Ca 0.81 0.16 -0.27 0.00 0.00 0.00 0.00 51.96 52.66 3a47 s ALA 229 Cb -0.94 -3.13 -0.12 0.00 0.00 0.00 0.00 23.12 18.93 3a47 s ALA 229 CO 0.49 -0.49 1.25 -2.30 0.00 0.00 0.00 175.76 174.71 3a47 n PRO 230 N -1.99 1.98 -2.68 0.00 -0.02 -1.26 -4.88 135.00 126.16 3a47 n PRO 230 Ca 0.07 0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 61.82 3a47 n PRO 230 Cb 0.54 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.73 3a47 n PRO 230 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3a47 s VAL 231 N -1.12 4.32 -0.16 -1.45 1.01 -1.26 -4.71 120.40 117.04 3a47 s VAL 231 Ca 0.57 -1.85 0.20 0.00 0.00 0.00 0.00 61.98 60.89 3a47 s VAL 231 Cb -0.57 -5.08 -0.11 0.00 0.00 0.00 0.00 36.38 30.62 3a47 s VAL 231 CO 0.61 -1.89 0.84 1.33 0.00 0.00 0.00 175.10 175.99 3a47 n VAL 232 N 6.04 0.87 -3.69 2.92 0.24 -1.26 -4.69 118.33 118.76 3a47 n VAL 232 Ca 0.42 -0.63 -0.38 0.00 -2.04 0.00 0.00 64.34 61.71 3a47 n VAL 232 Cb 0.46 -0.51 -0.11 0.00 -1.47 0.00 0.00 33.84 32.22 3a47 n VAL 232 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3a47 s ASP 233 N -5.49 5.44 0.00 -1.34 -1.08 -1.26 -4.96 116.67 107.99 3a47 s ASP 233 Ca -0.03 -1.64 0.25 0.00 -0.52 0.00 0.00 52.55 50.61 3a47 s ASP 233 Cb 0.09 -1.91 1.40 0.00 -1.46 0.00 0.00 42.92 41.04 3a47 s ASP 233 CO 0.81 -0.51 1.84 0.29 0.52 0.00 0.00 175.17 178.12 3a47 n LYS 234 N 4.79 0.61 -0.48 4.34 4.76 -1.26 -2.90 118.16 128.03 3a47 n LYS 234 Ca -0.08 0.02 0.06 0.00 -2.87 0.00 0.00 58.31 55.44 3a47 n LYS 234 Cb 0.42 -1.50 0.19 0.00 -1.84 0.00 0.00 35.03 32.31 3a47 n LYS 234 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3a47 n ASN 235 N -1.11 2.10 -3.76 4.39 5.15 -1.26 -4.98 115.26 115.78 3a47 n ASN 235 Ca 0.16 -3.63 -0.14 0.00 -0.60 0.00 0.00 54.58 50.38 3a47 n ASN 235 Cb 0.13 -0.52 -0.15 0.00 -0.53 0.00 0.00 39.78 38.71 3a47 n ASN 235 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3a47 s SER 236 N -2.98 -0.06 0.26 1.20 0.15 -1.14 -5.03 113.70 106.09 3a47 s SER 236 Ca 0.38 0.23 -0.04 0.00 0.70 0.00 0.00 55.95 57.22 3a47 s SER 236 Cb 0.35 0.12 0.31 0.00 -1.71 0.00 0.00 66.02 65.09 3a47 s SER 236 CO -0.03 -0.14 1.82 0.74 1.20 0.00 0.00 173.24 176.84 3a47 h THR 237 N 6.08 1.24 -3.36 6.45 2.02 -1.94 -3.44 112.91 119.96 3a47 h THR 237 Ca -0.43 -0.77 -0.66 0.00 0.77 0.00 0.00 66.41 65.31 3a47 h THR 237 Cb 1.14 0.45 -0.13 0.00 -1.74 0.00 0.00 68.15 67.87 3a47 h THR 237 CO 0.44 0.31 -0.65 0.26 0.37 0.00 0.00 175.52 176.25 3a47 s TRP 238 N -5.42 3.06 0.05 3.16 0.52 -1.26 -4.96 118.94 114.08 3a47 s TRP 238 Ca -0.11 0.06 0.09 0.00 0.02 0.00 0.00 56.10 56.16 3a47 s TRP 238 Cb 0.16 -1.64 -0.03 0.00 -1.15 0.00 0.00 33.47 30.80 3a47 s TRP 238 CO 0.82 0.46 -0.26 -0.65 0.02 0.00 0.00 176.95 177.34 3a47 s GLN 239 N -1.70 1.76 0.06 4.98 -1.52 0.19 -4.72 119.66 118.69 3a47 s GLN 239 Ca 0.21 -1.13 -0.37 0.00 -1.95 0.00 0.00 55.36 52.12 3a47 s GLN 239 Cb -0.12 -1.96 -0.17 0.00 -0.22 0.00 0.00 33.01 30.55 3a47 s GLN 239 CO 0.12 0.50 1.39 0.45 -0.25 0.00 0.00 175.29 177.50 3a47 n SER 240 N 1.70 1.77 -0.31 5.90 2.88 -1.26 -0.71 113.62 123.59 3a47 n SER 240 Ca -0.17 1.11 0.12 0.00 -1.33 0.00 0.00 58.87 58.60 3a47 n SER 240 Cb 0.52 -1.20 0.54 0.00 -0.75 0.00 0.00 64.21 63.33 3a47 n SER 240 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3a47 n SER 241 N 2.81 0.95 -0.28 -3.46 3.41 -1.26 -4.62 113.62 111.17 3a47 n SER 241 Ca 0.19 -1.48 0.08 0.00 -0.26 0.00 0.00 58.87 57.41 3a47 n SER 241 Cb 0.19 -0.04 0.21 0.00 -0.26 0.00 0.00 64.21 64.31 3a47 n SER 241 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3a47 h ASP 242 N 1.34 -0.31 -0.27 4.04 5.19 -1.95 0.19 116.42 124.64 3a47 h ASP 242 Ca 0.00 0.21 0.08 0.00 -0.62 0.00 0.00 57.03 56.70 3a47 h ASP 242 Cb 0.29 0.36 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 3a47 h ASP 242 CO 0.00 -0.21 0.29 -0.65 -3.12 0.00 0.00 179.24 175.55 3a47 h PRO 243 N 0.11 0.00 -0.01 3.56 0.11 -1.88 -0.26 132.00 133.63 3a47 h PRO 243 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 3a47 h PRO 243 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3a47 h PRO 243 CO -0.72 0.00 -0.09 0.66 -0.21 0.00 0.00 178.00 177.64 3a47 n TYR 244 N -3.78 0.00 0.00 0.65 0.53 0.56 -4.71 117.16 110.41 3a47 n TYR 244 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.92 3a47 n TYR 244 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.75 3a47 n TYR 244 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 3a47 n THR 245 N -0.08 0.00 -3.49 -0.72 -2.24 -0.62 -0.88 114.28 106.24 3a47 n THR 245 Ca 0.03 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.43 3a47 n THR 245 Cb 0.15 0.30 -0.08 0.00 -2.10 0.00 0.00 70.33 68.59 3a47 n THR 245 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3a47 s LEU 246 N -1.67 4.13 -1.28 3.22 2.96 -0.14 -4.17 118.68 121.72 3a47 s LEU 246 Ca 0.00 0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 54.18 3a47 s LEU 246 Cb 0.00 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 3a47 s LEU 246 CO 0.00 -0.03 0.64 0.59 -1.32 0.00 0.00 176.35 176.22 3a47 n ASN 247 N 4.50 -2.21 -4.23 3.68 3.02 0.05 -4.84 115.26 115.23 3a47 n ASN 247 Ca -0.11 -0.93 -0.29 0.00 -0.03 0.00 0.00 54.58 53.21 3a47 n ASN 247 Cb 0.51 -3.57 0.22 0.00 -0.61 0.00 0.00 39.78 36.33 3a47 n ASN 247 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3a47 s GLY 248 N -4.08 1.56 0.62 7.41 0.00 -1.25 -4.87 107.32 106.72 3a47 s GLY 248 Ca 0.15 -0.65 0.40 0.00 0.00 0.00 0.00 44.72 44.62 3a47 s GLY 248 CO 0.85 0.11 2.23 -0.56 0.00 0.00 0.00 173.10 175.73 3a47 h PRO 249 N -2.32 0.00 -0.50 2.90 0.13 -1.90 -1.57 132.00 128.75 3a47 h PRO 249 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3a47 h PRO 249 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3a47 h PRO 249 CO 0.46 0.01 0.00 0.54 -0.23 0.00 0.00 178.00 178.77 3a47 n ARG 250 N -3.13 2.72 -0.10 0.86 1.74 -1.26 -4.71 116.66 112.77 3a47 n ARG 250 Ca -0.02 -2.29 -0.05 0.00 -0.77 0.00 0.00 57.85 54.73 3a47 n ARG 250 Cb 0.16 -1.40 0.15 0.00 -1.02 0.00 0.00 32.46 30.35 3a47 n ARG 250 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3a47 h ILE 251 N 3.09 1.25 -0.10 0.55 6.09 -1.61 -0.76 117.51 126.02 3a47 h ILE 251 Ca 0.00 -1.04 -0.22 0.00 -1.37 0.00 0.00 64.86 62.23 3a47 h ILE 251 Cb 0.84 0.92 0.01 0.00 0.47 0.00 0.00 36.82 39.06 3a47 h ILE 251 CO 0.00 0.36 -0.80 0.45 -3.07 0.00 0.00 178.15 175.09 3a47 h HIS 252 N 0.73 0.86 -0.50 2.19 3.86 -1.84 -1.77 115.15 118.67 3a47 h HIS 252 Ca 0.14 -0.39 0.08 0.00 -1.16 0.00 0.00 60.37 59.03 3a47 h HIS 252 Cb 0.48 -0.13 -0.06 0.00 1.06 0.00 0.00 27.41 28.76 3a47 h HIS 252 CO 0.03 1.20 0.14 1.49 0.86 0.00 0.00 177.93 181.65 3a47 h GLU 253 N 0.41 0.29 -0.37 2.45 4.81 -1.78 0.13 114.58 120.52 3a47 h GLU 253 Ca -0.06 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 3a47 h GLU 253 Cb 1.42 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 3a47 h GLU 253 CO 0.15 0.19 0.04 0.74 -0.73 0.00 0.00 179.01 179.40 3a47 h PHE 254 N 0.29 0.68 -0.20 0.92 0.05 -1.05 -1.02 116.94 116.61 3a47 h PHE 254 Ca 0.25 -0.10 -0.11 0.00 3.82 0.00 0.00 57.97 61.82 3a47 h PHE 254 Cb 0.30 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 38.06 3a47 h PHE 254 CO -0.19 0.70 -0.35 0.45 -0.18 0.00 0.00 178.31 178.74 3a47 h HIS 255 N 0.47 0.48 -0.50 -0.55 3.86 -0.99 -0.67 115.15 117.25 3a47 h HIS 255 Ca 0.11 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 3a47 h HIS 255 Cb 0.40 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 3a47 h HIS 255 CO 0.03 0.72 0.10 1.96 0.86 0.00 0.00 177.93 181.60 3a47 h GLN 256 N 0.36 0.82 -0.47 2.45 4.20 -0.62 -0.71 115.11 121.13 3a47 h GLN 256 Ca 0.04 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 3a47 h GLN 256 Cb 0.78 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 3a47 h GLN 256 CO 0.06 0.80 0.22 1.49 -0.67 0.00 0.00 178.83 180.73 3a47 h GLU 257 N 0.70 0.69 -0.49 1.46 4.81 -0.82 -0.99 114.58 119.93 3a47 h GLU 257 Ca 0.15 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3a47 h GLU 257 Cb 0.37 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 3a47 h GLU 257 CO 0.01 0.60 -0.10 1.98 -0.73 0.00 0.00 179.01 180.76 3a47 h MET 258 N 0.62 0.91 -0.56 1.92 4.05 -1.06 -1.05 114.93 119.77 3a47 h MET 258 Ca 0.16 -0.32 0.02 0.00 -0.28 0.00 0.00 59.70 59.29 3a47 h MET 258 Cb 0.14 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 3a47 h MET 258 CO -0.02 0.97 0.34 -0.97 0.23 0.00 0.00 176.91 177.46 3a47 h ASN 259 N 0.81 0.56 -0.57 1.39 -1.24 -0.84 -1.06 115.58 114.64 3a47 h ASN 259 Ca 0.13 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 57.06 3a47 h ASN 259 Cb 0.63 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.54 3a47 h ASN 259 CO 0.04 0.39 0.02 1.56 -1.29 0.00 0.00 177.43 178.16 3a47 h GLN 260 N 0.68 1.01 -0.39 6.67 1.08 -0.90 -1.00 115.11 122.26 3a47 h GLN 260 Ca 0.22 -0.30 0.06 0.00 -1.45 0.00 0.00 58.65 57.18 3a47 h GLN 260 Cb 0.01 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.28 3a47 h GLN 260 CO -0.09 0.98 0.08 0.35 -0.95 0.00 0.00 178.83 179.20 3a47 h PHE 261 N 0.94 0.13 -0.03 2.96 3.57 -0.79 -1.03 116.94 122.68 3a47 h PHE 261 Ca 0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3a47 h PHE 261 Cb 0.51 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3a47 h PHE 261 CO 0.03 0.01 0.02 0.82 -2.23 0.00 0.00 178.31 176.97 3a47 h ILE 262 N 0.20 1.01 -0.78 1.41 2.04 -0.77 -1.19 117.51 119.43 3a47 h ILE 262 Ca 0.19 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.11 3a47 h ILE 262 Cb 0.22 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 3a47 h ILE 262 CO -0.24 0.01 0.43 -0.09 0.00 0.00 0.00 178.15 178.26 3a47 h ARG 263 N 0.04 0.71 0.00 2.37 2.43 -0.91 -1.54 114.38 117.48 3a47 h ARG 263 Ca 0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3a47 h ARG 263 Cb 0.00 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3a47 h ARG 263 CO -0.00 0.47 0.00 0.09 -1.51 0.00 0.00 179.97 179.02 3a47 n ASN 264 N -4.78 0.75 -0.08 -3.80 3.02 -0.42 -3.87 115.26 106.08 3a47 n ASN 264 Ca 0.13 0.58 -0.12 0.00 -0.03 0.00 0.00 54.58 55.13 3a47 n ASN 264 Cb 0.27 -0.78 -0.15 0.00 -0.61 0.00 0.00 39.78 38.52 3a47 n ASN 264 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3a47 n ARG 265 N -2.21 0.68 -1.69 3.52 3.00 -0.47 -4.91 116.66 114.57 3a47 n ARG 265 Ca 0.05 0.11 -0.44 0.00 -0.00 0.00 0.00 57.85 57.58 3a47 n ARG 265 Cb 0.40 -1.60 -0.03 0.00 0.00 0.00 0.00 32.46 31.24 3a47 n ARG 265 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3a47 n VAL 266 N -2.98 0.82 0.51 5.15 0.31 -0.66 -4.90 118.33 116.58 3a47 n VAL 266 Ca -0.32 -0.20 0.10 0.00 -0.01 0.00 0.00 64.34 63.91 3a47 n VAL 266 Cb 1.09 -1.61 -0.14 0.00 -0.91 0.00 0.00 33.84 32.27 3a47 n VAL 266 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3a47 n LYS 267 N 2.30 0.43 -0.12 5.55 5.02 -1.26 -4.57 118.16 125.49 3a47 n LYS 267 Ca 0.12 -0.09 0.04 0.00 -2.02 0.00 0.00 58.31 56.36 3a47 n LYS 267 Cb 0.32 -1.48 0.06 0.00 -0.02 0.00 0.00 35.03 33.91 3a47 n LYS 267 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3a47 n ASP 268 N -1.83 1.56 0.00 4.39 5.68 -1.26 -5.00 116.55 120.09 3a47 n ASP 268 Ca 0.00 -2.37 0.00 0.00 -0.50 0.00 0.00 54.79 51.92 3a47 n ASP 268 Cb 0.43 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3a47 n ASP 268 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a47 n GLY 269 N -0.77 0.22 3.77 6.12 0.00 -1.26 -4.98 105.19 108.29 3a47 n GLY 269 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3a47 n GLY 269 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3a47 s ARG 270 N -1.13 2.74 -0.26 1.61 1.70 -1.26 -4.98 118.95 117.37 3a47 s ARG 270 Ca 0.00 1.36 -0.21 0.00 -0.47 0.00 0.00 55.73 56.41 3a47 s ARG 270 Cb 0.00 -1.95 -0.02 0.00 -0.57 0.00 0.00 34.95 32.42 3a47 s ARG 270 CO 0.00 -1.29 0.65 -2.00 -1.08 0.00 0.00 175.30 171.58 3a47 s GLU 271 N -4.19 4.10 -0.20 3.89 2.12 -1.26 -5.04 118.70 118.11 3a47 s GLU 271 Ca 0.66 0.57 -0.09 0.00 0.36 0.00 0.00 54.97 56.47 3a47 s GLU 271 Cb -0.20 -3.66 -0.05 0.00 0.26 0.00 0.00 34.13 30.49 3a47 s GLU 271 CO 0.43 -0.44 0.10 0.42 -0.54 0.00 0.00 175.26 175.23 3a47 s ILE 272 N 2.56 5.09 -0.04 -3.70 -1.09 -1.26 -4.89 121.20 117.87 3a47 s ILE 272 Ca 0.27 0.08 -0.11 0.00 -2.23 0.00 0.00 60.65 58.65 3a47 s ILE 272 Cb -0.15 -3.32 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 3a47 s ILE 272 CO 0.09 0.44 0.31 -0.32 -1.23 0.00 0.00 174.94 174.22 3a47 s MET 273 N 0.46 3.73 -0.10 2.79 -2.45 -0.75 -4.97 119.30 118.01 3a47 s MET 273 Ca 0.06 0.19 0.03 0.00 -1.25 0.00 0.00 55.69 54.71 3a47 s MET 273 Cb -0.12 -3.19 0.01 0.00 1.25 0.00 0.00 34.83 32.78 3a47 s MET 273 CO -0.00 0.72 -0.18 0.95 1.05 0.00 0.00 175.02 177.56 3a47 s THR 274 N -1.08 1.62 -0.22 10.11 -4.23 -1.26 -1.25 115.64 119.32 3a47 s THR 274 Ca 0.21 -0.74 -0.01 0.00 -1.18 0.00 0.00 61.69 59.97 3a47 s THR 274 Cb -0.15 -1.45 0.02 0.00 1.34 0.00 0.00 72.50 72.26 3a47 s THR 274 CO 0.10 0.46 -0.10 0.54 -0.54 0.00 0.00 174.62 175.09 3a47 s VAL 275 N 0.69 2.73 -0.09 2.29 0.11 -0.33 -1.15 120.40 124.65 3a47 s VAL 275 Ca -0.12 -0.88 -0.17 0.00 -2.93 0.00 0.00 61.98 57.87 3a47 s VAL 275 Cb -0.16 -2.29 -0.05 0.00 -1.53 0.00 0.00 36.38 32.35 3a47 s VAL 275 CO 0.03 0.35 0.45 -0.83 -3.33 0.00 0.00 175.10 171.77 3a47 s GLY 276 N 1.35 2.40 -1.11 6.54 0.00 -0.32 -0.07 107.32 116.11 3a47 s GLY 276 Ca 0.03 -0.21 -0.19 0.00 0.00 0.00 0.00 44.72 44.35 3a47 s GLY 276 CO -0.07 0.62 1.45 1.85 0.00 0.00 0.00 173.10 176.95 3a47 s GLU 277 N 0.23 3.79 0.06 2.90 2.12 0.55 -0.75 118.70 127.60 3a47 s GLU 277 Ca 0.25 -1.77 0.23 0.00 0.36 0.00 0.00 54.97 54.04 3a47 s GLU 277 Cb -0.15 -5.26 0.10 0.00 0.26 0.00 0.00 34.13 29.08 3a47 s GLU 277 CO 0.11 -2.04 1.07 -1.33 -0.54 0.00 0.00 175.26 172.53 3a47 n MET 278 N 7.64 0.28 0.00 4.30 2.81 -1.05 -2.37 117.12 128.73 3a47 n MET 278 Ca 0.36 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.26 3a47 n MET 278 Cb 0.48 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 3a47 n MET 278 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3a47 n GLN 279 N -1.97 0.00 -3.81 0.03 6.02 -1.09 -4.63 117.38 111.93 3a47 n GLN 279 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.89 3a47 n GLN 279 Cb 0.43 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.57 3a47 n GLN 279 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3a47 s HIS 280 N 0.00 -0.21 -0.27 1.08 3.76 -1.26 -0.44 115.29 117.95 3a47 s HIS 280 Ca 0.00 0.51 -0.25 0.00 -0.15 0.00 0.00 55.06 55.16 3a47 s HIS 280 Cb 0.00 0.07 0.11 0.00 1.11 0.00 0.00 32.58 33.87 3a47 s HIS 280 CO 0.00 -0.11 0.96 0.00 -0.85 0.00 0.00 174.74 174.75 3a47 s ALA 281 N 0.07 -1.93 0.95 -1.40 0.00 -1.26 -4.90 121.76 113.29 3a47 s ALA 281 Ca -0.00 1.88 -0.11 0.00 0.00 0.00 0.00 51.96 53.72 3a47 s ALA 281 Cb -0.01 -1.32 0.16 0.00 0.00 0.00 0.00 23.12 21.95 3a47 s ALA 281 CO 0.00 -0.26 1.10 -1.54 0.00 0.00 0.00 175.76 175.06 3a47 s SER 282 N 0.15 2.84 0.32 0.00 1.04 -1.26 -4.73 113.70 112.05 3a47 s SER 282 Ca 0.02 1.80 -0.00 0.00 0.48 0.00 0.00 55.95 58.25 3a47 s SER 282 Cb -0.05 -2.40 0.52 0.00 0.10 0.00 0.00 66.02 64.19 3a47 s SER 282 CO -0.04 -3.09 1.98 0.44 0.98 0.00 0.00 173.24 173.52 3a47 h ASP 283 N -1.86 0.86 -0.57 7.02 3.32 -1.99 0.52 116.42 123.73 3a47 h ASP 283 Ca -0.49 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 3a47 h ASP 283 Cb 1.28 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3a47 h ASP 283 CO 0.48 0.62 0.33 -0.08 -1.72 0.00 0.00 179.24 178.87 3a47 h GLU 284 N 1.02 0.78 -0.74 3.56 4.57 -1.99 -0.59 114.58 121.19 3a47 h GLU 284 Ca 0.28 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.35 3a47 h GLU 284 Cb -0.11 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.29 3a47 h GLU 284 CO -0.06 0.59 0.36 1.15 -1.18 0.00 0.00 179.01 179.87 3a47 h THR 285 N 0.77 1.24 -0.58 0.32 2.02 -1.67 -0.61 112.91 114.40 3a47 h THR 285 Ca 0.20 -0.65 0.03 0.00 0.77 0.00 0.00 66.41 66.76 3a47 h THR 285 Cb 0.02 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.69 3a47 h THR 285 CO -0.04 0.28 0.34 0.11 0.37 0.00 0.00 175.52 176.58 3a47 h LYS 286 N 1.03 0.65 -0.68 6.66 1.57 -0.60 -1.57 116.57 123.63 3a47 h LYS 286 Ca 0.25 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 3a47 h LYS 286 Cb 0.11 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3a47 h LYS 286 CO -0.03 0.43 0.32 0.00 -0.57 0.00 0.00 179.45 179.60 3a47 h ARG 287 N 0.67 0.97 -0.23 3.15 3.08 -0.57 0.20 114.38 121.65 3a47 h ARG 287 Ca 0.24 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3a47 h ARG 287 Cb 0.06 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3a47 h ARG 287 CO -0.12 0.77 0.11 -0.07 -1.07 0.00 0.00 179.97 179.60 3a47 h LEU 288 N 0.94 0.27 0.22 3.04 3.38 -0.71 -1.23 115.31 121.21 3a47 h LEU 288 Ca 0.23 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.87 3a47 h LEU 288 Cb 0.12 -0.07 0.03 0.00 0.09 0.00 0.00 40.66 40.83 3a47 h LEU 288 CO -0.03 0.23 -1.41 1.88 0.09 0.00 0.00 178.44 179.20 3a47 h TYR 289 N 0.31 0.85 -0.00 1.13 0.05 -0.65 -3.42 116.97 115.25 3a47 h TYR 289 Ca 0.08 -0.62 0.00 0.00 0.05 0.00 0.00 58.73 58.24 3a47 h TYR 289 Cb 0.03 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 37.73 3a47 h TYR 289 CO 0.00 1.48 -0.26 0.25 -1.05 0.00 0.00 178.16 178.58 3a47 n THR 290 N -3.67 0.00 -1.68 -2.88 -2.24 -0.00 -0.53 114.28 103.27 3a47 n THR 290 Ca -0.14 -0.37 -0.45 0.00 -2.27 0.00 0.00 64.05 60.82 3a47 n THR 290 Cb 1.08 1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 70.28 3a47 n THR 290 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3a47 n SER 291 N -1.09 3.48 -0.25 3.42 2.88 -0.48 -3.93 113.62 117.64 3a47 n SER 291 Ca 0.01 1.04 0.07 0.00 -1.33 0.00 0.00 58.87 58.67 3a47 n SER 291 Cb 0.09 -1.47 0.32 0.00 -0.75 0.00 0.00 64.21 62.40 3a47 n SER 291 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a47 h ALA 292 N 7.07 1.67 0.00 -1.46 0.00 -1.29 -0.56 119.26 124.68 3a47 h ALA 292 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3a47 h ALA 292 Cb 1.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3a47 h ALA 292 CO 0.92 0.17 0.00 0.66 0.00 0.00 0.00 179.25 181.00 3a47 h SER 293 N 0.84 0.00 1.75 0.00 4.64 -1.89 -2.41 113.55 116.49 3a47 h SER 293 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3a47 h SER 293 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3a47 h SER 293 CO -0.15 0.00 -0.14 0.03 -0.87 0.00 0.00 176.83 175.69 3a47 h ARG 294 N 0.00 0.00 -6.35 4.77 2.47 -1.42 -3.48 114.38 110.37 3a47 h ARG 294 Ca 0.00 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 58.26 3a47 h ARG 294 Cb 0.22 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.57 3a47 h ARG 294 CO 0.00 0.00 -0.91 0.72 0.56 0.00 0.00 179.97 180.34 3a47 n HIS 295 N -2.87 -1.79 0.00 3.04 8.25 -0.91 -4.87 115.22 116.07 3a47 n HIS 295 Ca 0.04 0.58 0.00 0.00 -0.26 0.00 0.00 57.72 58.07 3a47 n HIS 295 Cb 0.51 -3.60 0.00 0.00 1.12 0.00 0.00 29.99 28.02 3a47 n HIS 295 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3a47 n GLU 296 N -4.31 0.00 -3.97 -0.41 1.02 -1.26 -4.30 120.64 107.41 3a47 n GLU 296 Ca -0.19 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.72 3a47 n GLU 296 Cb 0.63 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.03 3a47 n GLU 296 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3a47 s LEU 297 N 0.00 4.30 0.15 -4.62 1.43 0.31 -4.78 118.68 115.46 3a47 s LEU 297 Ca 0.00 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 3a47 s LEU 297 Cb 0.00 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 3a47 s LEU 297 CO 0.00 -0.02 1.35 0.28 0.23 0.00 0.00 176.35 178.20 3a47 h SER 298 N 1.59 0.53 -5.25 2.29 0.02 -1.40 -3.38 113.55 107.95 3a47 h SER 298 Ca -0.50 -0.39 0.24 0.00 -0.84 0.00 0.00 61.79 60.29 3a47 h SER 298 Cb 1.22 -0.16 -0.12 0.00 0.14 0.00 0.00 62.40 63.48 3a47 h SER 298 CO 0.64 1.17 0.66 -1.83 -1.14 0.00 0.00 176.83 176.33 3a47 s GLU 299 N -3.43 0.72 0.04 3.45 -1.05 -1.04 -4.12 118.70 113.28 3a47 s GLU 299 Ca -0.06 -0.37 -0.03 0.00 -0.15 0.00 0.00 54.97 54.36 3a47 s GLU 299 Cb 0.09 0.26 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 3a47 s GLU 299 CO 0.86 -0.33 0.03 -0.48 0.95 0.00 0.00 175.26 176.29 3a47 s LEU 300 N -2.79 2.12 -0.04 1.83 0.05 -1.26 -1.17 118.68 117.42 3a47 s LEU 300 Ca 0.12 -0.71 -0.20 0.00 0.05 0.00 0.00 54.13 53.38 3a47 s LEU 300 Cb 0.01 0.38 -0.05 0.00 -2.05 0.00 0.00 46.19 44.49 3a47 s LEU 300 CO -0.03 -0.52 0.59 -0.36 -0.55 0.00 0.00 176.35 175.48 3a47 s PHE 301 N -2.97 3.63 -0.05 3.48 0.08 0.07 -3.93 117.98 118.29 3a47 s PHE 301 Ca -0.02 1.14 0.04 0.00 0.12 0.00 0.00 56.93 58.22 3a47 s PHE 301 Cb 0.01 -2.62 -0.00 0.00 -0.57 0.00 0.00 43.02 39.83 3a47 s PHE 301 CO -0.06 0.28 -0.18 1.21 -0.10 0.00 0.00 175.22 176.36 3a47 s ASN 302 N 0.10 2.32 0.00 1.36 3.84 -1.26 -2.52 114.94 118.78 3a47 s ASN 302 Ca 0.31 -0.38 0.23 0.00 0.21 0.00 0.00 52.86 53.22 3a47 s ASN 302 Cb -0.17 -0.68 0.73 0.00 -0.55 0.00 0.00 41.25 40.58 3a47 s ASN 302 CO 0.16 0.16 1.55 0.49 -2.79 0.00 0.00 177.10 176.67 3a47 n PHE 303 N 3.16 0.19 -0.28 0.43 3.72 0.42 -4.48 117.46 120.62 3a47 n PHE 303 Ca -0.18 -0.10 0.09 0.00 -0.05 0.00 0.00 57.45 57.21 3a47 n PHE 303 Cb 0.53 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 39.40 3a47 n PHE 303 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3a47 h SER 304 N 2.70 0.75 1.20 4.37 0.02 -1.84 -0.56 113.55 120.18 3a47 h SER 304 Ca 0.00 0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.90 3a47 h SER 304 Cb 0.59 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3a47 h SER 304 CO 0.00 0.41 -0.40 1.12 -1.14 0.00 0.00 176.83 176.81 3a47 h HIS 305 N 0.81 0.00 -0.00 3.45 2.07 -1.79 -2.75 115.15 116.94 3a47 h HIS 305 Ca 0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.96 3a47 h HIS 305 Cb 0.55 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.53 3a47 h HIS 305 CO -0.00 0.40 -0.50 0.25 -3.07 0.00 0.00 177.93 175.01 3a47 n THR 306 N -3.34 0.00 0.38 6.12 -2.24 -0.46 -3.96 114.28 110.77 3a47 n THR 306 Ca 0.01 -0.07 0.12 0.00 -2.27 0.00 0.00 64.05 61.84 3a47 n THR 306 Cb 0.61 0.52 0.08 0.00 -2.10 0.00 0.00 70.33 69.43 3a47 n THR 306 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3a47 h ASP 307 N 0.63 0.00 -3.16 3.42 3.32 -0.85 -3.48 116.42 116.29 3a47 h ASP 307 Ca 0.00 -0.15 -0.56 0.00 0.02 0.00 0.00 57.03 56.34 3a47 h ASP 307 Cb 0.53 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.18 3a47 h ASP 307 CO 0.00 0.07 0.62 1.33 -1.72 0.00 0.00 179.24 179.55 3a47 n VAL 308 N -2.33 1.51 -0.79 -1.35 0.24 -1.16 -1.46 118.33 113.00 3a47 n VAL 308 Ca 0.02 -0.38 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3a47 n VAL 308 Cb 0.49 -1.64 0.00 0.00 -1.47 0.00 0.00 33.84 31.21 3a47 n VAL 308 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a47 n GLY 309 N 1.40 0.68 3.22 7.63 0.00 -1.26 -5.03 105.19 111.83 3a47 n GLY 309 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 3a47 n GLY 309 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a47 s THR 310 N -2.39 1.47 0.23 2.61 -4.23 -0.54 -1.55 115.64 111.25 3a47 s THR 310 Ca 0.00 -1.22 -0.30 0.00 -1.18 0.00 0.00 61.69 59.00 3a47 s THR 310 Cb 0.00 -1.32 -0.09 0.00 1.34 0.00 0.00 72.50 72.43 3a47 s THR 310 CO 0.00 0.06 1.32 -0.55 -0.54 0.00 0.00 174.62 174.92 3a47 s SER 311 N -1.35 6.85 0.59 3.99 0.15 0.04 -4.78 113.70 119.18 3a47 s SER 311 Ca 0.05 2.49 0.30 0.00 0.70 0.00 0.00 55.95 59.49 3a47 s SER 311 Cb -0.09 -2.62 1.81 0.00 -1.71 0.00 0.00 66.02 63.41 3a47 s SER 311 CO 0.02 -0.54 2.24 1.55 1.20 0.00 0.00 173.24 177.70 3a47 h PRO 312 N 4.90 0.00 0.00 5.44 0.13 -1.93 -2.37 132.00 138.17 3a47 h PRO 312 Ca -0.46 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 3a47 h PRO 312 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 3a47 h PRO 312 CO 0.75 0.00 -0.54 -0.07 -0.23 0.00 0.00 178.00 177.90 3a47 h LEU 313 N 0.00 0.00 -6.71 1.56 3.38 -1.97 -3.45 115.31 108.12 3a47 h LEU 313 Ca 0.01 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.10 3a47 h LEU 313 Cb 0.07 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.61 3a47 h LEU 313 CO -0.00 0.54 0.01 0.12 0.09 0.00 0.00 178.44 179.20 3a47 s PHE 314 N -3.04 -1.08 0.51 1.13 5.99 -0.89 -5.00 117.98 115.61 3a47 s PHE 314 Ca 0.03 1.79 0.17 0.00 0.00 0.00 0.00 56.93 58.92 3a47 s PHE 314 Cb 0.08 0.62 1.27 0.00 0.00 0.00 0.00 43.02 44.99 3a47 s PHE 314 CO 0.74 -0.54 2.12 -0.09 -0.00 0.00 0.00 175.22 177.45 3a47 h ARG 315 N 7.80 0.03 -1.04 10.12 2.43 -1.88 -2.34 114.38 129.51 3a47 h ARG 315 Ca -0.17 -0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.48 3a47 h ARG 315 Cb 1.11 -0.01 -0.27 0.00 -0.42 0.00 0.00 29.97 30.39 3a47 h ARG 315 CO 0.10 0.02 0.66 0.66 -1.51 0.00 0.00 179.97 179.89 3a47 n TYR 316 N -4.51 2.79 -3.98 2.20 4.02 -1.26 -4.56 117.16 111.85 3a47 n TYR 316 Ca -0.00 -2.09 -0.30 0.00 -0.01 0.00 0.00 57.90 55.50 3a47 n TYR 316 Cb 0.18 -1.04 -0.16 0.00 -0.02 0.00 0.00 39.34 38.29 3a47 n TYR 316 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3a47 s ASN 317 N -1.17 2.83 0.37 7.72 -0.87 -0.88 -3.89 114.94 119.05 3a47 s ASN 317 Ca 0.53 -0.60 -0.24 0.00 -1.57 0.00 0.00 52.86 50.98 3a47 s ASN 317 Cb 0.44 -1.12 -0.10 0.00 -0.02 0.00 0.00 41.25 40.45 3a47 s ASN 317 CO 0.06 -0.10 0.96 -0.76 -2.57 0.00 0.00 177.10 174.69 3a47 s LEU 318 N 1.51 4.19 0.06 0.60 1.43 -1.26 -0.78 118.68 124.41 3a47 s LEU 318 Ca 0.03 1.83 0.01 0.00 -1.03 0.00 0.00 54.13 54.97 3a47 s LEU 318 Cb -0.14 -4.20 -0.03 0.00 0.03 0.00 0.00 46.19 41.85 3a47 s LEU 318 CO -0.09 -0.23 -0.06 0.68 0.23 0.00 0.00 176.35 176.88 3a47 s VAL 319 N -1.79 0.48 0.65 -1.59 -7.23 -0.60 -4.80 120.40 105.52 3a47 s VAL 319 Ca 0.55 -1.39 -0.16 0.00 -1.81 0.00 0.00 61.98 59.17 3a47 s VAL 319 Cb -0.16 -0.97 -0.00 0.00 0.56 0.00 0.00 36.38 35.80 3a47 s VAL 319 CO 0.21 -0.62 1.15 -2.84 -0.31 0.00 0.00 175.10 172.70 3a47 s PRO 320 N -2.49 2.73 0.10 4.82 0.02 -1.26 -4.23 135.00 134.69 3a47 s PRO 320 Ca -0.03 1.59 -0.07 0.00 0.02 0.00 0.00 61.00 62.51 3a47 s PRO 320 Cb -0.03 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.55 3a47 s PRO 320 CO -0.03 -1.34 0.17 -0.59 -0.33 0.00 0.00 177.00 174.88 3a47 s PHE 321 N -2.04 0.30 0.37 6.54 -0.12 -1.26 -4.64 117.98 117.13 3a47 s PHE 321 Ca 0.71 -0.73 0.08 0.00 -0.05 0.00 0.00 56.93 56.95 3a47 s PHE 321 Cb -0.25 -0.13 -0.06 0.00 -0.63 0.00 0.00 43.02 41.94 3a47 s PHE 321 CO 0.39 -0.55 -0.00 -1.83 -0.05 0.00 0.00 175.22 173.17 3a47 s GLU 322 N -3.90 1.98 0.24 1.99 -1.05 -1.26 -5.03 118.70 111.66 3a47 s GLU 322 Ca 0.09 -1.92 -0.04 0.00 -0.15 0.00 0.00 54.97 52.94 3a47 s GLU 322 Cb 0.05 -1.78 0.41 0.00 -0.44 0.00 0.00 34.13 32.37 3a47 s GLU 322 CO -0.08 0.06 1.78 1.25 0.95 0.00 0.00 175.26 179.22 3a47 h LEU 323 N 1.82 0.51 -1.13 1.83 5.85 -1.87 -0.72 115.31 121.61 3a47 h LEU 323 Ca -0.43 0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.52 3a47 h LEU 323 Cb 1.25 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 42.17 3a47 h LEU 323 CO 0.72 0.27 0.61 0.50 -0.34 0.00 0.00 178.44 180.20 3a47 h LYS 324 N 0.64 0.76 -0.74 1.25 3.64 -1.79 0.11 116.57 120.45 3a47 h LYS 324 Ca 0.40 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.75 3a47 h LYS 324 Cb 0.46 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 3a47 h LYS 324 CO -0.30 0.51 0.47 -0.44 -2.27 0.00 0.00 179.45 177.42 3a47 h ASP 325 N 0.79 0.80 -0.27 4.20 3.32 -1.50 -1.25 116.42 122.51 3a47 h ASP 325 Ca 0.51 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 57.37 3a47 h ASP 325 Cb 0.75 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 3a47 h ASP 325 CO -0.28 0.57 -0.54 -0.25 -1.72 0.00 0.00 179.24 177.01 3a47 h TRP 326 N 0.95 1.08 -0.01 4.55 7.01 -1.17 -1.74 115.95 126.61 3a47 h TRP 326 Ca 0.28 -0.38 0.03 0.00 2.11 0.00 0.00 58.89 60.93 3a47 h TRP 326 Cb -0.04 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 26.77 3a47 h TRP 326 CO -0.03 1.21 -0.21 0.87 -2.79 0.00 0.00 178.44 177.49 3a47 h LYS 327 N 0.66 -0.32 -0.67 2.65 1.57 -0.71 0.78 116.57 120.53 3a47 h LYS 327 Ca 0.02 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3a47 h LYS 327 Cb 1.15 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.50 3a47 h LYS 327 CO 0.12 -0.21 0.34 0.82 -0.57 0.00 0.00 179.45 179.95 3a47 h ILE 328 N -0.33 1.22 -0.65 1.86 2.04 -1.25 -0.83 117.51 119.57 3a47 h ILE 328 Ca 0.06 -0.60 -0.08 0.00 1.00 0.00 0.00 64.86 65.24 3a47 h ILE 328 Cb 0.41 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 3a47 h ILE 328 CO -0.20 0.25 0.08 0.00 0.00 0.00 0.00 178.15 178.28 3a47 h ALA 329 N 1.16 0.87 -0.38 1.87 0.00 -1.07 -1.85 119.26 119.86 3a47 h ALA 329 Ca 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3a47 h ALA 329 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3a47 h ALA 329 CO -0.03 0.66 0.12 -0.07 0.00 0.00 0.00 179.25 179.93 3a47 h LEU 330 N 1.02 0.54 -2.29 0.00 3.38 -0.58 -2.85 115.31 114.53 3a47 h LEU 330 Ca 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3a47 h LEU 330 Cb 0.48 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3a47 h LEU 330 CO 0.02 0.60 -0.04 0.00 0.09 0.00 0.00 178.44 179.10 3a47 h ALA 331 N 0.97 1.19 0.00 1.53 0.00 -0.83 -1.42 119.26 120.70 3a47 h ALA 331 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a47 h ALA 331 Cb 0.25 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3a47 h ALA 331 CO -0.00 0.05 -0.01 1.49 0.00 0.00 0.00 179.25 180.78 3a47 h GLU 332 N 0.00 0.00 -0.33 0.00 4.81 -1.09 -0.20 114.58 117.78 3a47 h GLU 332 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3a47 h GLU 332 Cb 0.20 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3a47 h GLU 332 CO 0.01 0.01 0.11 -0.07 -0.73 0.00 0.00 179.01 178.33 3a47 h LEU 333 N 0.00 0.42 0.00 1.64 3.38 -1.38 -3.40 115.31 115.97 3a47 h LEU 333 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3a47 h LEU 333 Cb 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3a47 h LEU 333 CO 0.00 0.41 -0.41 2.22 0.09 0.00 0.00 178.44 180.75 3a47 n PHE 334 N -4.38 0.00 0.13 1.13 1.16 -0.74 -4.41 117.46 110.34 3a47 n PHE 334 Ca 0.02 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.63 3a47 n PHE 334 Cb 0.15 0.00 0.44 0.00 -1.61 0.00 0.00 39.48 38.46 3a47 n PHE 334 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3a47 h ARG 335 N 0.00 0.24 0.00 3.97 3.08 -1.27 -2.41 114.38 117.98 3a47 h ARG 335 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3a47 h ARG 335 Cb 0.04 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3a47 h ARG 335 CO 0.00 0.31 0.00 0.10 -1.07 0.00 0.00 179.97 179.31 3a47 h TYR 336 N 0.23 0.00 0.00 3.04 -0.00 -1.82 -2.31 116.97 116.11 3a47 h TYR 336 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.78 3a47 h TYR 336 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.97 3a47 h TYR 336 CO 0.00 0.00 -0.15 0.44 -0.00 0.00 0.00 178.16 178.45 3a47 n ILE 337 N -2.95 0.07 -1.67 -0.90 -5.35 -0.91 -4.85 119.36 102.80 3a47 n ILE 337 Ca -0.01 -0.04 -0.45 0.00 -0.27 0.00 0.00 62.75 61.98 3a47 n ILE 337 Cb 0.15 -0.31 -0.04 0.00 -1.74 0.00 0.00 39.64 37.71 3a47 n ILE 337 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3a47 n ASN 338 N -1.60 3.84 -1.62 7.28 5.15 -0.87 -1.61 115.26 125.82 3a47 n ASN 338 Ca 0.06 0.95 -0.12 0.00 -0.60 0.00 0.00 54.58 54.87 3a47 n ASN 338 Cb 0.35 -1.47 0.01 0.00 -0.53 0.00 0.00 39.78 38.14 3a47 n ASN 338 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3a47 n GLY 339 N 4.40 -0.05 3.35 8.20 0.00 -1.26 -5.03 105.19 114.80 3a47 n GLY 339 Ca 0.21 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.71 3a47 n GLY 339 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a47 s THR 340 N -2.77 0.25 -0.39 2.61 -4.23 -0.63 -4.77 115.64 105.70 3a47 s THR 340 Ca 0.10 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.68 3a47 s THR 340 Cb -0.05 -2.47 0.71 0.00 1.34 0.00 0.00 72.50 72.04 3a47 s THR 340 CO 0.13 0.00 1.86 -0.90 -0.54 0.00 0.00 174.62 175.17 3a47 n ASP 341 N -1.21 4.27 -4.87 3.99 5.75 -1.26 -0.47 116.55 122.74 3a47 n ASP 341 Ca 0.02 -3.43 -0.24 0.00 -0.01 0.00 0.00 54.79 51.13 3a47 n ASP 341 Cb 0.64 -0.79 0.07 0.00 -1.03 0.00 0.00 41.12 40.01 3a47 n ASP 341 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3a47 s TRP 343 N -3.08 0.12 0.30 0.00 -0.11 -1.25 -4.69 118.94 110.23 3a47 s TRP 343 Ca 0.61 -0.45 0.09 0.00 1.22 0.00 0.00 56.10 57.57 3a47 s TRP 343 Cb -0.09 -0.06 -0.06 0.00 -1.50 0.00 0.00 33.47 31.75 3a47 s TRP 343 CO 0.43 -0.47 -0.10 -1.54 -4.62 0.00 0.00 176.95 170.64 3a47 s SER 344 N -2.44 3.30 0.19 5.86 1.04 -1.26 -4.40 113.70 115.99 3a47 s SER 344 Ca -0.01 -1.15 0.08 0.00 0.48 0.00 0.00 55.95 55.35 3a47 s SER 344 Cb 0.02 -0.27 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 3a47 s SER 344 CO -0.07 -0.20 -0.03 0.42 0.98 0.00 0.00 173.24 174.34 3a47 s THR 345 N -2.75 3.54 -0.07 2.02 -4.23 -1.25 -0.81 115.64 112.09 3a47 s THR 345 Ca 0.30 -1.56 -0.00 0.00 -1.18 0.00 0.00 61.69 59.25 3a47 s THR 345 Cb 0.01 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 71.09 3a47 s THR 345 CO 0.14 -0.15 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.42 3a47 s ILE 346 N -1.81 0.49 -0.04 2.99 -1.09 0.02 -4.76 121.20 117.01 3a47 s ILE 346 Ca 0.27 -0.00 -0.29 0.00 -2.23 0.00 0.00 60.65 58.40 3a47 s ILE 346 Cb -0.09 -0.59 0.10 0.00 -1.58 0.00 0.00 42.46 40.30 3a47 s ILE 346 CO 0.18 0.26 0.84 -0.72 -1.23 0.00 0.00 174.94 174.27 3a47 s TYR 347 N 1.56 -0.44 0.00 3.97 1.13 -1.26 -1.46 117.35 120.86 3a47 s TYR 347 Ca -0.01 0.51 0.00 0.00 -1.41 0.00 0.00 57.07 56.17 3a47 s TYR 347 Cb -0.13 0.49 0.00 0.00 -1.10 0.00 0.00 41.96 41.22 3a47 s TYR 347 CO -0.04 -0.54 0.00 1.28 -2.51 0.00 0.00 175.55 173.75 3a47 n LEU 348 N 0.23 0.00 -4.11 -3.49 4.77 -1.26 -5.03 117.00 108.11 3a47 n LEU 348 Ca -0.12 -0.27 -0.14 0.00 -0.03 0.00 0.00 56.01 55.44 3a47 n LEU 348 Cb 0.60 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 3a47 n LEU 348 CO 0.15 0.00 -0.42 -1.61 -1.33 0.00 0.00 177.39 174.18 3a47 s GLU 349 N -1.19 0.66 0.17 3.23 2.02 -1.26 -4.66 118.70 117.67 3a47 s GLU 349 Ca 0.00 -0.90 -0.10 0.00 0.02 0.00 0.00 54.97 54.00 3a47 s GLU 349 Cb 0.00 -0.44 0.04 0.00 0.10 0.00 0.00 34.13 33.82 3a47 s GLU 349 CO 0.00 0.08 0.49 0.27 0.02 0.00 0.00 175.26 176.12 3a47 n ASN 350 N 1.19 -1.14 0.00 -0.19 0.23 -1.26 -4.49 115.26 109.59 3a47 n ASN 350 Ca -0.21 -1.73 0.13 0.00 -0.53 0.00 0.00 54.58 52.24 3a47 n ASN 350 Cb 0.55 1.89 0.72 0.00 -2.08 0.00 0.00 39.78 40.86 3a47 n ASN 350 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a47 n HIS 351 N -0.34 0.00 0.06 -2.53 1.44 -1.26 -2.35 115.22 110.24 3a47 n HIS 351 Ca -0.03 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.75 3a47 n HIS 351 Cb 0.32 -0.11 0.15 0.00 0.12 0.00 0.00 29.99 30.47 3a47 n HIS 351 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3a47 n ASP 352 N -1.11 2.85 -4.25 4.39 8.00 -1.26 -4.76 116.55 120.40 3a47 n ASP 352 Ca 0.16 -1.86 -0.22 0.00 0.71 0.00 0.00 54.79 53.59 3a47 n ASP 352 Cb 0.13 -0.20 -0.12 0.00 -0.02 0.00 0.00 41.12 40.91 3a47 n ASP 352 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3a47 s GLN 353 N -1.07 1.03 1.16 -1.24 -1.52 -0.99 -4.41 119.66 112.62 3a47 s GLN 353 Ca 0.25 -1.11 -0.18 0.00 -1.95 0.00 0.00 55.36 52.38 3a47 s GLN 353 Cb 0.14 -1.19 0.27 0.00 -0.22 0.00 0.00 33.01 32.01 3a47 s GLN 353 CO 0.20 0.27 1.12 -1.25 -0.25 0.00 0.00 175.29 175.37 3a47 s PRO 354 N -1.91 -0.89 0.19 2.91 0.04 -1.25 -3.70 135.00 130.39 3a47 s PRO 354 Ca 0.04 -0.00 -0.30 0.00 0.04 0.00 0.00 61.00 60.78 3a47 s PRO 354 Cb -0.10 -1.63 -0.08 0.00 0.04 0.00 0.00 34.50 32.74 3a47 s PRO 354 CO 0.04 -3.50 0.98 1.03 0.04 0.00 0.00 177.00 175.59 3a47 s ARG 355 N -5.37 4.75 0.34 4.56 1.81 -1.26 -4.83 118.95 118.95 3a47 s ARG 355 Ca 0.70 1.54 0.06 0.00 -1.72 0.00 0.00 55.73 56.31 3a47 s ARG 355 Cb -0.11 -3.30 0.63 0.00 -0.45 0.00 0.00 34.95 31.72 3a47 s ARG 355 CO 0.56 0.33 1.86 0.66 -0.68 0.00 0.00 175.30 178.02 3a47 h SER 356 N 4.72 0.39 -0.45 0.23 4.64 -1.84 -1.81 113.55 119.43 3a47 h SER 356 Ca -0.44 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 60.76 3a47 h SER 356 Cb 1.21 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3a47 h SER 356 CO 0.70 0.53 0.18 0.40 -0.87 0.00 0.00 176.83 177.76 3a47 h ILE 357 N 0.38 1.21 -0.44 0.95 2.04 -1.93 0.16 117.51 119.88 3a47 h ILE 357 Ca 0.08 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3a47 h ILE 357 Cb 0.42 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3a47 h ILE 357 CO 0.02 0.24 0.25 0.74 0.00 0.00 0.00 178.15 179.41 3a47 h THR 358 N 0.59 1.15 -0.07 -0.27 2.02 -1.76 -0.16 112.91 114.41 3a47 h THR 358 Ca 0.15 -0.37 -0.16 0.00 0.77 0.00 0.00 66.41 66.80 3a47 h THR 358 Cb 0.20 0.59 0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3a47 h THR 358 CO -0.01 0.16 -0.57 0.03 0.37 0.00 0.00 175.52 175.49 3a47 h ARG 359 N 0.58 0.51 0.00 6.66 2.47 -1.14 -3.40 114.38 120.06 3a47 h ARG 359 Ca 0.16 -0.46 0.00 0.00 -1.26 0.00 0.00 59.98 58.42 3a47 h ARG 359 Cb 0.03 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 3a47 h ARG 359 CO -0.03 1.09 0.00 1.19 0.56 0.00 0.00 179.97 182.78 3a47 n PHE 360 N -4.19 0.00 0.00 3.04 3.72 0.55 -5.02 117.46 115.55 3a47 n PHE 360 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3a47 n PHE 360 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 3a47 n PHE 360 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a47 n GLY 361 N 0.35 4.01 2.78 1.37 0.00 -0.09 -4.99 105.19 108.62 3a47 n GLY 361 Ca 0.00 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 3a47 n GLY 361 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a47 s ASP 362 N 0.79 1.22 0.00 1.61 -1.08 -1.08 -4.83 116.67 113.30 3a47 s ASP 362 Ca 0.00 -0.05 0.07 0.00 -0.52 0.00 0.00 52.55 52.05 3a47 s ASP 362 Cb 0.00 0.33 0.23 0.00 -1.46 0.00 0.00 42.92 42.03 3a47 s ASP 362 CO 0.00 -0.30 1.18 -0.90 0.52 0.00 0.00 175.17 175.67 3a47 n ASP 363 N 5.32 0.95 -4.70 -0.34 5.68 -1.25 -2.16 116.55 120.05 3a47 n ASP 363 Ca -0.05 -1.96 -0.36 0.00 -0.50 0.00 0.00 54.79 51.92 3a47 n ASP 363 Cb 0.50 -0.11 0.08 0.00 -1.14 0.00 0.00 41.12 40.44 3a47 n ASP 363 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3a47 n SER 364 N 0.00 1.53 -0.34 -1.12 3.41 -1.26 -4.54 113.62 111.30 3a47 n SER 364 Ca 0.07 0.76 0.20 0.00 -0.26 0.00 0.00 58.87 59.63 3a47 n SER 364 Cb 0.16 -1.51 0.44 0.00 -0.26 0.00 0.00 64.21 63.03 3a47 n SER 364 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3a47 h PRO 365 N 0.13 0.49 -0.53 4.33 0.11 -2.01 0.12 132.00 134.64 3a47 h PRO 365 Ca -0.49 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 3a47 h PRO 365 Cb 1.33 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 3a47 h PRO 365 CO 0.51 0.32 0.19 -0.22 -0.21 0.00 0.00 178.00 178.59 3a47 h LYS 366 N 0.50 0.82 -0.01 1.05 3.64 -1.93 -3.36 116.57 117.28 3a47 h LYS 366 Ca 0.62 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 3a47 h LYS 366 Cb 1.34 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3a47 h LYS 366 CO -0.39 0.73 -0.16 0.09 -2.27 0.00 0.00 179.45 177.45 3a47 n ASN 367 N -4.49 1.40 -0.04 4.20 3.02 -0.79 -4.68 115.26 113.88 3a47 n ASN 367 Ca 0.02 -1.20 -0.02 0.00 -0.03 0.00 0.00 54.58 53.36 3a47 n ASN 367 Cb 0.18 0.35 0.25 0.00 -0.61 0.00 0.00 39.78 39.95 3a47 n ASN 367 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 3a47 h ARG 368 N 1.39 0.61 0.12 3.52 0.11 -0.26 -0.89 114.38 118.97 3a47 h ARG 368 Ca 0.00 -0.15 -0.01 0.00 0.10 0.00 0.00 59.98 59.93 3a47 h ARG 368 Cb 0.38 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.38 3a47 h ARG 368 CO 0.00 0.64 -0.06 0.28 0.10 0.00 0.00 179.97 180.93 3a47 h VAL 369 N 0.58 1.00 -0.65 0.08 2.07 -1.84 -1.84 116.25 115.65 3a47 h VAL 369 Ca 0.12 -1.25 -0.06 0.00 0.82 0.00 0.00 66.70 66.33 3a47 h VAL 369 Cb 0.39 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3a47 h VAL 369 CO 0.02 0.27 0.17 -0.29 0.02 0.00 0.00 177.57 177.75 3a47 h ILE 370 N -0.82 1.25 -0.05 4.57 6.09 -1.84 -0.97 117.51 125.73 3a47 h ILE 370 Ca -0.02 -0.89 -0.17 0.00 -1.37 0.00 0.00 64.86 62.42 3a47 h ILE 370 Cb 0.56 0.56 -0.01 0.00 0.47 0.00 0.00 36.82 38.40 3a47 h ILE 370 CO 0.03 0.34 -0.70 0.77 -3.07 0.00 0.00 178.15 175.51 3a47 h SER 371 N 0.97 0.29 -0.68 2.19 4.64 -1.27 0.18 113.55 119.87 3a47 h SER 371 Ca 0.21 -0.19 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3a47 h SER 371 Cb 0.32 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.29 3a47 h SER 371 CO -0.00 0.90 0.44 1.23 -0.87 0.00 0.00 176.83 178.53 3a47 h GLY 372 N 1.58 0.97 1.06 -0.77 0.00 -0.94 -1.70 103.07 103.27 3a47 h GLY 372 Ca -0.02 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 3a47 h GLY 372 CO 0.11 0.32 0.04 0.50 0.00 0.00 0.00 176.54 177.51 3a47 h LYS 373 N 0.89 1.03 -0.68 4.80 1.57 -0.91 -2.39 116.57 120.87 3a47 h LYS 373 Ca 0.26 -0.31 0.08 0.00 -1.87 0.00 0.00 60.65 58.81 3a47 h LYS 373 Cb -0.05 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 3a47 h LYS 373 CO -0.08 0.99 0.36 1.25 -0.57 0.00 0.00 179.45 181.40 3a47 h LEU 374 N 0.92 0.49 -1.07 2.94 5.85 -0.62 0.33 115.31 124.16 3a47 h LEU 374 Ca 0.17 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 3a47 h LEU 374 Cb 0.50 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3a47 h LEU 374 CO 0.02 0.30 0.21 -0.07 -0.34 0.00 0.00 178.44 178.57 3a47 h LEU 375 N 0.63 0.81 -0.52 2.25 3.38 -1.14 -1.19 115.31 119.53 3a47 h LEU 375 Ca 0.32 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 3a47 h LEU 375 Cb 0.28 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3a47 h LEU 375 CO -0.23 0.74 0.17 -1.28 0.09 0.00 0.00 178.44 177.94 3a47 h SER 376 N 0.86 0.75 -0.33 -0.43 0.87 -0.80 -0.96 113.55 113.51 3a47 h SER 376 Ca 0.20 -0.20 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3a47 h SER 376 Cb 0.21 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 3a47 h SER 376 CO -0.01 0.75 0.16 0.58 -0.53 0.00 0.00 176.83 177.77 3a47 h VAL 377 N 0.71 0.97 0.31 2.23 2.07 -0.49 -0.04 116.25 122.01 3a47 h VAL 377 Ca 0.17 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 3a47 h VAL 377 Cb 0.26 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3a47 h VAL 377 CO -0.01 0.06 -0.28 0.25 0.02 0.00 0.00 177.57 177.61 3a47 h LEU 378 N 0.33 -0.75 -1.19 2.57 5.85 -0.99 -2.98 115.31 118.14 3a47 h LEU 378 Ca 0.14 0.06 -0.06 0.00 0.84 0.00 0.00 57.88 58.87 3a47 h LEU 378 Cb 0.06 0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3a47 h LEU 378 CO -0.10 -0.41 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.45 3a47 h LEU 379 N -0.61 0.46 -2.15 2.25 3.38 -1.04 -2.36 115.31 115.24 3a47 h LEU 379 Ca -0.02 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3a47 h LEU 379 Cb 0.55 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3a47 h LEU 379 CO -0.04 0.58 0.20 0.77 0.09 0.00 0.00 178.44 180.03 3a47 h SER 380 N 0.46 0.00 0.02 -0.43 4.64 -0.85 -2.70 113.55 114.70 3a47 h SER 380 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3a47 h SER 380 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3a47 h SER 380 CO 0.02 0.00 -0.49 0.00 -0.87 0.00 0.00 176.83 175.49 3a47 n ALA 381 N -2.43 3.60 -2.60 5.18 0.00 -0.89 -4.63 120.51 118.73 3a47 n ALA 381 Ca 0.02 -0.61 -0.35 0.00 0.00 0.00 0.00 53.44 52.50 3a47 n ALA 381 Cb 0.34 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 3a47 n ALA 381 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3a47 s LEU 382 N -2.53 4.37 0.18 0.00 1.43 -1.02 -4.66 118.68 116.46 3a47 s LEU 382 Ca 0.18 0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 53.75 3a47 s LEU 382 Cb 0.18 -2.83 -0.08 0.00 0.03 0.00 0.00 46.19 43.49 3a47 s LEU 382 CO 0.59 0.22 1.22 -0.89 0.23 0.00 0.00 176.35 177.72 3a47 s THR 383 N -1.32 3.53 0.00 5.49 2.01 -1.11 -4.44 115.64 119.80 3a47 s THR 383 Ca 0.30 1.27 0.00 0.00 0.31 0.00 0.00 61.69 63.57 3a47 s THR 383 Cb -0.14 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.56 3a47 s THR 383 CO 0.16 0.20 0.00 0.61 -0.69 0.00 0.00 174.62 174.90 3a47 n GLY 384 N 2.26 1.81 3.65 4.40 0.00 -1.07 -4.70 105.19 111.54 3a47 n GLY 384 Ca 0.05 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 3a47 n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a47 s THR 385 N -1.41 4.27 0.03 2.61 2.01 0.01 -4.76 115.64 118.40 3a47 s THR 385 Ca 0.00 1.49 -0.25 0.00 0.31 0.00 0.00 61.69 63.24 3a47 s THR 385 Cb 0.00 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 3a47 s THR 385 CO 0.00 -0.29 0.78 -0.22 -0.69 0.00 0.00 174.62 174.20 3a47 s LEU 386 N 3.84 4.43 -0.07 4.42 2.96 -1.26 -0.80 118.68 132.20 3a47 s LEU 386 Ca 0.54 1.44 0.05 0.00 -0.22 0.00 0.00 54.13 55.94 3a47 s LEU 386 Cb -0.19 -3.25 -0.01 0.00 0.50 0.00 0.00 46.19 43.24 3a47 s LEU 386 CO 0.17 -0.02 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.65 3a47 s TYR 387 N 0.13 2.53 -0.10 5.38 1.51 -0.53 -0.66 117.35 125.61 3a47 s TYR 387 Ca 0.40 -0.64 0.04 0.00 -1.01 0.00 0.00 57.07 55.85 3a47 s TYR 387 Cb -0.20 -1.64 -0.00 0.00 -0.11 0.00 0.00 41.96 40.00 3a47 s TYR 387 CO 0.23 -0.16 -0.23 0.08 -1.11 0.00 0.00 175.55 174.36 3a47 s VAL 388 N -0.16 2.18 -0.02 0.71 1.01 0.51 -4.59 120.40 120.04 3a47 s VAL 388 Ca -0.03 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 3a47 s VAL 388 Cb -0.14 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 3a47 s VAL 388 CO 0.04 0.56 0.27 -0.47 0.00 0.00 0.00 175.10 175.49 3a47 s TYR 389 N 0.34 3.62 -0.19 5.22 5.04 -1.26 -0.82 117.35 129.29 3a47 s TYR 389 Ca -0.18 0.67 -0.40 0.00 -2.44 0.00 0.00 57.07 54.71 3a47 s TYR 389 Cb -0.18 -2.05 -0.17 0.00 0.35 0.00 0.00 41.96 39.91 3a47 s TYR 389 CO 0.09 0.65 1.54 0.00 -1.34 0.00 0.00 175.55 176.49 3a47 n GLN 390 N 1.49 0.82 0.00 4.97 10.64 -0.67 -0.58 117.38 134.06 3a47 n GLN 390 Ca -0.14 0.30 0.00 0.00 -1.83 0.00 0.00 57.00 55.33 3a47 n GLN 390 Cb 0.53 -1.92 0.00 0.00 -0.86 0.00 0.00 30.24 27.99 3a47 n GLN 390 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3a47 n GLY 391 N 3.44 3.22 0.37 2.61 0.00 -1.26 -4.88 105.19 108.68 3a47 n GLY 391 Ca 0.24 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.32 3a47 n GLY 391 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3a47 h GLN 392 N 1.55 0.98 0.00 1.61 4.15 -1.20 -1.10 115.11 121.11 3a47 h GLN 392 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3a47 h GLN 392 Cb 0.00 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.47 3a47 h GLN 392 CO 0.00 0.65 0.00 -0.85 -1.93 0.00 0.00 178.83 176.70 3a47 n GLU 393 N -4.52 0.20 0.00 1.69 0.00 -1.26 -1.60 120.64 115.16 3a47 n GLU 393 Ca 0.15 0.42 0.12 0.00 0.00 0.00 0.00 57.16 57.86 3a47 n GLU 393 Cb 0.24 -1.88 0.28 0.00 0.00 0.00 0.00 31.44 30.09 3a47 n GLU 393 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3a47 n LEU 394 N -2.25 1.17 -1.78 -1.84 4.77 -0.46 -1.74 117.00 114.87 3a47 n LEU 394 Ca 0.02 -0.34 -0.12 0.00 -0.03 0.00 0.00 56.01 55.54 3a47 n LEU 394 Cb 0.23 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3a47 n LEU 394 CO 0.20 0.22 0.02 0.61 -1.33 0.00 0.00 177.39 177.11 3a47 n GLY 395 N 1.37 0.05 3.69 -0.72 0.00 -0.63 -4.69 105.19 104.27 3a47 n GLY 395 Ca 0.11 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3a47 n GLY 395 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3a47 n GLN 396 N -2.56 1.57 -4.50 1.61 -0.06 -0.94 -4.99 117.38 107.51 3a47 n GLN 396 Ca -0.05 0.57 -0.24 0.00 -2.00 0.00 0.00 57.00 55.28 3a47 n GLN 396 Cb 0.56 -2.36 -0.10 0.00 -4.06 0.00 0.00 30.24 24.27 3a47 n GLN 396 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 3a47 s ILE 397 N -1.30 1.88 0.71 1.69 -4.36 -1.26 -4.55 121.20 114.01 3a47 s ILE 397 Ca 0.68 -2.13 -0.16 0.00 -0.26 0.00 0.00 60.65 58.78 3a47 s ILE 397 Cb -0.46 -2.62 0.01 0.00 1.25 0.00 0.00 42.46 40.64 3a47 s ILE 397 CO 0.53 -0.20 1.08 0.59 0.24 0.00 0.00 174.94 177.18 3a47 n ASN 398 N -0.72 0.95 -4.82 4.36 4.13 -1.26 -4.90 115.26 113.00 3a47 n ASN 398 Ca -0.05 0.70 -0.30 0.00 1.68 0.00 0.00 54.58 56.61 3a47 n ASN 398 Cb 0.64 -1.46 0.08 0.00 -1.54 0.00 0.00 39.78 37.50 3a47 n ASN 398 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 3a47 s PHE 399 N -1.75 2.96 0.02 3.10 -0.12 -1.26 -5.01 117.98 115.91 3a47 s PHE 399 Ca 0.76 1.14 0.05 0.00 -0.05 0.00 0.00 56.93 58.83 3a47 s PHE 399 Cb -0.35 -3.10 -0.02 0.00 -0.63 0.00 0.00 43.02 38.93 3a47 s PHE 399 CO 0.48 -1.61 -0.15 0.15 -0.05 0.00 0.00 175.22 174.03 3a47 s LYS 400 N -5.20 1.11 -1.66 1.99 -0.14 -1.26 -4.87 119.74 109.71 3a47 s LYS 400 Ca 0.60 -0.69 -0.00 0.00 -1.36 0.00 0.00 55.97 54.52 3a47 s LYS 400 Cb -0.14 -1.12 0.00 0.00 -1.68 0.00 0.00 37.83 34.90 3a47 s LYS 400 CO 0.54 0.29 0.03 0.09 -0.76 0.00 0.00 175.35 175.54 3a47 n ASN 401 N 2.22 -5.62 -4.72 2.83 4.13 -1.26 -4.98 115.26 107.86 3a47 n ASN 401 Ca -0.16 -0.03 -0.41 0.00 1.68 0.00 0.00 54.58 55.65 3a47 n ASN 401 Cb 0.55 -4.64 -0.04 0.00 -1.54 0.00 0.00 39.78 34.10 3a47 n ASN 401 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3a47 s TRP 402 N -2.98 3.72 0.66 3.10 0.52 -1.26 -5.05 118.94 117.64 3a47 s TRP 402 Ca 0.02 1.67 -0.16 0.00 0.02 0.00 0.00 56.10 57.65 3a47 s TRP 402 Cb -0.01 -3.03 0.00 0.00 -1.15 0.00 0.00 33.47 29.28 3a47 s TRP 402 CO 0.02 0.11 1.14 -2.14 0.02 0.00 0.00 176.95 176.10 3a47 s PRO 403 N 0.49 2.69 0.41 4.98 0.02 -1.26 -4.93 135.00 137.40 3a47 s PRO 403 Ca 0.47 1.53 0.09 0.00 0.02 0.00 0.00 61.00 63.12 3a47 s PRO 403 Cb -0.22 -1.92 0.90 0.00 0.02 0.00 0.00 34.50 33.28 3a47 s PRO 403 CO 0.27 -1.36 2.00 -0.24 -0.33 0.00 0.00 177.00 177.34 3a47 h VAL 404 N 0.10 1.00 0.00 3.83 3.04 -1.98 -1.80 116.25 120.44 3a47 h VAL 404 Ca -0.47 -0.19 0.00 0.00 -1.01 0.00 0.00 66.70 65.03 3a47 h VAL 404 Cb 1.26 0.41 0.00 0.00 -2.01 0.00 0.00 31.29 30.95 3a47 h VAL 404 CO 0.53 0.10 0.00 1.05 -1.01 0.00 0.00 177.57 178.24 3a47 h GLU 405 N 0.55 0.00 0.00 4.17 9.09 -2.03 -2.29 114.58 124.06 3a47 h GLU 405 Ca 0.24 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.57 3a47 h GLU 405 Cb 0.26 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 3a47 h GLU 405 CO -0.07 0.00 -0.39 0.87 0.05 0.00 0.00 179.01 179.47 3a47 h LYS 406 N 0.00 0.00 -6.75 1.06 1.57 -1.69 -3.45 116.57 107.30 3a47 h LYS 406 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3a47 h LYS 406 Cb 0.26 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.62 3a47 h LYS 406 CO 0.00 0.39 0.67 0.71 -0.57 0.00 0.00 179.45 180.65 3a47 s TYR 407 N -3.16 3.15 -0.06 -1.35 2.02 -0.86 -4.91 117.35 112.18 3a47 s TYR 407 Ca 0.03 1.24 0.14 0.00 -0.37 0.00 0.00 57.07 58.11 3a47 s TYR 407 Cb 0.08 -3.67 -0.19 0.00 -0.40 0.00 0.00 41.96 37.78 3a47 s TYR 407 CO 0.71 -2.03 0.77 1.05 -1.57 0.00 0.00 175.55 174.49 3a47 h GLU 408 N 4.71 0.00 -6.57 -0.62 -0.00 -1.89 -3.47 114.58 106.74 3a47 h GLU 408 Ca -0.46 0.00 -0.53 0.00 -0.00 0.00 0.00 59.36 58.37 3a47 h GLU 408 Cb 1.22 0.00 0.04 0.00 -0.00 0.00 0.00 28.75 30.01 3a47 h GLU 408 CO 0.74 0.46 0.97 0.34 -0.00 0.00 0.00 179.01 181.52 3a47 s ASP 409 N -6.04 6.51 0.49 3.06 -1.08 -1.26 -4.88 116.67 113.47 3a47 s ASP 409 Ca -0.04 2.67 0.24 0.00 -0.52 0.00 0.00 52.55 54.91 3a47 s ASP 409 Cb 0.08 -2.58 1.30 0.00 -1.46 0.00 0.00 42.92 40.26 3a47 s ASP 409 CO 0.82 -0.90 1.92 1.62 0.52 0.00 0.00 175.17 179.15 3a47 h VAL 410 N 4.24 0.68 -0.50 1.11 3.04 -1.94 -0.57 116.25 122.31 3a47 h VAL 410 Ca -0.43 -0.05 -0.04 0.00 -1.01 0.00 0.00 66.70 65.17 3a47 h VAL 410 Cb 1.20 0.51 -0.02 0.00 -2.01 0.00 0.00 31.29 30.97 3a47 h VAL 410 CO 0.93 0.03 0.16 -0.08 -1.01 0.00 0.00 177.57 177.60 3a47 h GLU 411 N 0.16 0.73 -0.01 4.17 4.81 -1.89 0.14 114.58 122.69 3a47 h GLU 411 Ca 0.37 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3a47 h GLU 411 Cb 1.22 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3a47 h GLU 411 CO -0.06 0.64 -0.11 0.82 -0.73 0.00 0.00 179.01 179.56 3a47 h ILE 412 N 0.72 1.56 -0.19 2.32 1.08 -1.47 -2.90 117.51 118.63 3a47 h ILE 412 Ca 0.17 -1.80 0.02 0.00 -0.39 0.00 0.00 64.86 62.85 3a47 h ILE 412 Cb 0.21 2.72 -0.02 0.00 -3.07 0.00 0.00 36.82 36.67 3a47 h ILE 412 CO -0.01 0.48 0.07 0.03 -0.69 0.00 0.00 178.15 178.03 3a47 h ARG 413 N -0.60 0.16 -0.51 2.37 3.08 -1.12 0.74 114.38 118.51 3a47 h ARG 413 Ca -0.01 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.91 3a47 h ARG 413 Cb 0.85 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 3a47 h ARG 413 CO 0.02 0.11 -0.15 -0.91 -1.07 0.00 0.00 179.97 177.97 3a47 h ASN 414 N 0.17 0.99 -0.48 7.04 4.21 -0.86 -1.61 115.58 125.04 3a47 h ASN 414 Ca 0.08 -0.34 -0.11 0.00 1.21 0.00 0.00 56.30 57.13 3a47 h ASN 414 Cb 0.04 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 36.96 3a47 h ASN 414 CO -0.08 1.13 -0.15 0.78 -1.29 0.00 0.00 177.43 177.82 3a47 h ASN 415 N 0.86 0.96 -0.17 5.81 2.35 -1.01 -1.33 115.58 123.06 3a47 h ASN 415 Ca 0.13 -0.37 0.03 0.00 -0.55 0.00 0.00 56.30 55.53 3a47 h ASN 415 Cb 0.72 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 3a47 h ASN 415 CO 0.05 1.11 0.01 0.22 -1.65 0.00 0.00 177.43 177.17 3a47 h TYR 416 N 0.79 0.01 -0.38 1.19 3.20 -0.70 -1.09 116.97 119.99 3a47 h TYR 416 Ca 0.12 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 3a47 h TYR 416 Cb 0.71 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 3a47 h TYR 416 CO 0.05 -0.01 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.57 3a47 h ASN 417 N 0.07 0.63 -0.57 -2.11 -0.26 -1.16 -0.60 115.58 111.57 3a47 h ASN 417 Ca 0.08 -0.16 -0.08 0.00 -0.56 0.00 0.00 56.30 55.58 3a47 h ASN 417 Cb 0.09 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 3a47 h ASN 417 CO -0.12 0.75 0.06 0.00 -1.06 0.00 0.00 177.43 177.05 3a47 h ALA 418 N 1.32 0.76 -0.31 -0.83 0.00 -0.91 -1.29 119.26 117.98 3a47 h ALA 418 Ca 0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3a47 h ALA 418 Cb 0.49 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3a47 h ALA 418 CO 0.03 0.54 -0.04 0.82 0.00 0.00 0.00 179.25 180.59 3a47 h ILE 419 N 0.85 1.27 -0.50 0.00 2.04 -0.87 -0.51 117.51 119.79 3a47 h ILE 419 Ca 0.17 -1.04 0.09 0.00 1.00 0.00 0.00 64.86 65.07 3a47 h ILE 419 Cb 0.47 1.32 -0.07 0.00 -0.74 0.00 0.00 36.82 37.79 3a47 h ILE 419 CO 0.02 0.34 0.08 0.50 0.00 0.00 0.00 178.15 179.08 3a47 h LYS 420 N 0.36 0.20 -0.32 2.37 3.64 -0.98 0.23 116.57 122.07 3a47 h LYS 420 Ca 0.08 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3a47 h LYS 420 Cb 0.51 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3a47 h LYS 420 CO 0.02 0.13 -0.11 0.93 -2.27 0.00 0.00 179.45 178.15 3a47 h GLU 421 N 0.20 0.65 0.08 1.90 4.39 -1.05 -1.16 114.58 119.60 3a47 h GLU 421 Ca 0.25 -0.26 -0.26 0.00 0.34 0.00 0.00 59.36 59.43 3a47 h GLU 421 Cb 0.36 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3a47 h GLU 421 CO -0.35 0.84 -1.20 0.93 -1.16 0.00 0.00 179.01 178.07 3a47 h GLU 422 N 0.42 0.18 0.00 2.33 5.08 -0.83 -3.41 114.58 118.35 3a47 h GLU 422 Ca 0.08 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3a47 h GLU 422 Cb 0.62 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3a47 h GLU 422 CO 0.04 1.13 -0.34 0.72 -1.00 0.00 0.00 179.01 179.56 3a47 n HIS 423 N -3.46 0.00 0.00 4.33 8.25 0.78 -5.08 115.22 120.04 3a47 n HIS 423 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 3a47 n HIS 423 Cb 1.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.11 3a47 n HIS 423 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a47 n GLY 424 N 1.11 1.53 0.31 -1.41 0.00 -0.44 -4.66 105.19 101.63 3a47 n GLY 424 Ca 0.00 -1.63 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 3a47 n GLY 424 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3a47 h GLU 425 N 0.00 0.99 -3.59 1.61 4.81 -1.83 -3.31 114.58 113.25 3a47 h GLU 425 Ca 0.00 -0.24 -0.79 0.00 -0.13 0.00 0.00 59.36 58.20 3a47 h GLU 425 Cb 0.00 -0.13 -0.28 0.00 0.63 0.00 0.00 28.75 28.97 3a47 h GLU 425 CO 0.00 0.90 0.37 1.21 -0.73 0.00 0.00 179.01 180.76 3a47 s ASN 426 N -6.54 7.17 0.08 1.04 3.84 -1.26 -4.77 114.94 114.50 3a47 s ASN 426 Ca -0.11 -3.47 -0.08 0.00 0.21 0.00 0.00 52.86 49.41 3a47 s ASN 426 Cb 0.15 -2.19 -0.00 0.00 -0.55 0.00 0.00 41.25 38.65 3a47 s ASN 426 CO 0.83 -0.32 0.17 -0.94 -2.79 0.00 0.00 177.10 174.05 3a47 s SER 427 N 1.38 0.14 0.27 -4.21 1.04 -1.24 -5.04 113.70 106.03 3a47 s SER 427 Ca 0.29 -0.65 -0.03 0.00 0.48 0.00 0.00 55.95 56.03 3a47 s SER 427 Cb -0.10 0.32 0.38 0.00 0.10 0.00 0.00 66.02 66.72 3a47 s SER 427 CO -0.08 -0.70 1.92 -0.33 0.98 0.00 0.00 173.24 175.02 3a47 h GLU 428 N 2.84 1.18 -0.65 4.02 3.07 -1.91 -1.55 114.58 121.59 3a47 h GLU 428 Ca -0.34 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.46 3a47 h GLU 428 Cb 1.19 -0.27 -0.03 0.00 -0.84 0.00 0.00 28.75 28.80 3a47 h GLU 428 CO 0.56 0.78 0.43 0.93 -1.40 0.00 0.00 179.01 180.31 3a47 h GLU 429 N 1.22 0.84 -0.44 2.33 3.07 -1.93 -1.04 114.58 118.63 3a47 h GLU 429 Ca 0.39 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 59.13 3a47 h GLU 429 Cb 0.01 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.71 3a47 h GLU 429 CO -0.12 0.56 0.04 1.98 -1.40 0.00 0.00 179.01 180.06 3a47 h MET 430 N 0.87 0.76 -0.51 2.33 4.05 -1.73 -2.14 114.93 118.56 3a47 h MET 430 Ca 0.24 -0.22 0.08 0.00 -0.28 0.00 0.00 59.70 59.51 3a47 h MET 430 Cb -0.09 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 30.57 3a47 h MET 430 CO -0.06 0.80 0.16 0.87 0.23 0.00 0.00 176.91 178.91 3a47 h LYS 431 N 0.61 0.31 -0.71 0.39 1.57 -0.90 0.33 116.57 118.17 3a47 h LYS 431 Ca 0.13 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3a47 h LYS 431 Cb 0.44 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 3a47 h LYS 431 CO 0.02 0.20 0.19 0.87 -0.57 0.00 0.00 179.45 180.16 3a47 h LYS 432 N 0.32 1.12 0.06 3.15 1.57 -1.11 -1.31 116.57 120.36 3a47 h LYS 432 Ca 0.25 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3a47 h LYS 432 Cb 0.30 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3a47 h LYS 432 CO -0.28 0.98 -0.03 0.35 -0.57 0.00 0.00 179.45 179.90 3a47 h PHE 433 N 1.07 -0.07 -0.73 -1.35 3.57 -0.85 -1.67 116.94 116.91 3a47 h PHE 433 Ca 0.23 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3a47 h PHE 433 Cb 0.35 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 3a47 h PHE 433 CO 0.03 0.02 0.47 -0.07 -2.23 0.00 0.00 178.31 176.53 3a47 h LEU 434 N -0.15 0.85 -0.47 0.59 3.38 -0.72 -0.95 115.31 117.84 3a47 h LEU 434 Ca -0.01 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.94 3a47 h LEU 434 Cb 0.12 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3a47 h LEU 434 CO 0.01 0.63 0.30 -0.08 0.09 0.00 0.00 178.44 179.39 3a47 h GLU 435 N 0.99 0.58 -0.45 1.13 4.81 -1.05 -3.19 114.58 117.40 3a47 h GLU 435 Ca 0.27 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.32 3a47 h GLU 435 Cb -0.09 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 3a47 h GLU 435 CO -0.05 0.39 -0.28 0.00 -0.73 0.00 0.00 179.01 178.33 3a47 h ALA 436 N 1.19 0.65 -0.17 2.92 0.00 -0.31 -3.21 119.26 120.34 3a47 h ALA 436 Ca 0.18 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3a47 h ALA 436 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3a47 h ALA 436 CO -0.06 0.68 -0.04 -0.84 0.00 0.00 0.00 179.25 178.99 3a47 h ILE 437 N 0.83 1.14 0.00 0.00 3.07 -1.21 0.83 117.51 122.17 3a47 h ILE 437 Ca 0.09 -0.55 -0.01 0.00 1.55 0.00 0.00 64.86 65.94 3a47 h ILE 437 Cb 0.86 1.06 -0.00 0.00 -0.27 0.00 0.00 36.82 38.47 3a47 h ILE 437 CO 0.08 0.18 -0.03 0.00 -1.05 0.00 0.00 178.15 177.33 3a47 h ALA 438 N 1.72 1.35 0.00 0.16 0.00 -1.58 -2.38 119.26 118.53 3a47 h ALA 438 Ca 0.06 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.62 3a47 h ALA 438 Cb 0.24 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3a47 h ALA 438 CO 0.01 0.04 -2.21 -0.11 0.00 0.00 0.00 179.25 176.98 3a47 n LEU 439 N -3.63 1.74 -0.00 0.00 7.94 -0.50 -4.86 117.00 117.70 3a47 n LEU 439 Ca -0.03 -0.07 0.06 0.00 -1.11 0.00 0.00 56.01 54.86 3a47 n LEU 439 Cb 0.12 -0.27 -0.08 0.00 0.53 0.00 0.00 43.42 43.72 3a47 n LEU 439 CO 0.27 0.68 -0.57 -0.38 -1.11 0.00 0.00 177.39 176.28 3a47 n ILE 440 N -2.93 0.00 -1.64 1.96 2.08 0.17 -4.66 119.36 114.35 3a47 n ILE 440 Ca -0.34 -0.26 -0.44 0.00 0.56 0.00 0.00 62.75 62.27 3a47 n ILE 440 Cb 0.97 0.33 -0.01 0.00 -0.75 0.00 0.00 39.64 40.17 3a47 n ILE 440 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 3a47 n SER 441 N -1.82 2.01 0.15 4.38 2.88 -0.91 -4.07 113.62 116.24 3a47 n SER 441 Ca -0.02 1.19 0.17 0.00 -1.33 0.00 0.00 58.87 58.88 3a47 n SER 441 Cb 0.28 -1.38 0.77 0.00 -0.75 0.00 0.00 64.21 63.13 3a47 n SER 441 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3a47 h ARG 442 N 2.45 0.00 0.00 -1.46 3.08 -1.86 -2.49 114.38 114.09 3a47 h ARG 442 Ca -0.43 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.62 3a47 h ARG 442 Cb 1.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.36 3a47 h ARG 442 CO 0.63 0.00 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.07 3a47 h ASP 443 N 0.00 0.00 0.27 7.04 3.32 -1.88 -1.13 116.42 124.04 3a47 h ASP 443 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3a47 h ASP 443 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3a47 h ASP 443 CO -0.00 0.02 0.00 1.41 -1.72 0.00 0.00 179.24 178.95 3a47 n HIS 444 N -3.20 0.54 0.79 4.55 8.25 -0.94 -1.41 115.22 123.79 3a47 n HIS 444 Ca -0.02 0.25 0.11 0.00 -0.26 0.00 0.00 57.72 57.80 3a47 n HIS 444 Cb 0.17 -0.90 0.01 0.00 1.12 0.00 0.00 29.99 30.39 3a47 n HIS 444 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3a47 n ALA 445 N -1.69 3.90 0.45 -1.41 0.00 -0.43 -4.58 120.51 116.76 3a47 n ALA 445 Ca 0.00 -0.47 0.05 0.00 0.00 0.00 0.00 53.44 53.03 3a47 n ALA 445 Cb 0.10 -0.92 0.02 0.00 0.00 0.00 0.00 19.45 18.65 3a47 n ALA 445 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3a47 n ARG 446 N -1.70 1.39 -2.18 0.00 1.74 -0.50 -4.90 116.66 110.51 3a47 n ARG 446 Ca 0.03 -0.84 -0.35 0.00 -0.77 0.00 0.00 57.85 55.91 3a47 n ARG 446 Cb 0.38 -1.14 0.01 0.00 -1.02 0.00 0.00 32.46 30.69 3a47 n ARG 446 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3a47 s THR 447 N -1.18 2.98 0.44 0.55 -4.23 -1.22 -4.79 115.64 108.19 3a47 s THR 447 Ca 0.10 0.61 -0.24 0.00 -1.18 0.00 0.00 61.69 60.99 3a47 s THR 447 Cb 0.09 -3.25 -0.10 0.00 1.34 0.00 0.00 72.50 70.58 3a47 s THR 447 CO 0.21 -0.13 1.01 -2.65 -0.54 0.00 0.00 174.62 172.51 3a47 n PRO 448 N -1.38 1.32 -1.77 3.99 -0.02 -1.26 -4.90 135.00 130.97 3a47 n PRO 448 Ca 0.12 0.48 -0.41 0.00 -2.02 0.00 0.00 63.50 61.67 3a47 n PRO 448 Cb 0.50 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 3a47 n PRO 448 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3a47 s MET 449 N -2.10 4.11 -0.54 -0.52 -2.45 0.81 -4.80 119.30 113.81 3a47 s MET 449 Ca 0.64 2.59 -0.16 0.00 -1.25 0.00 0.00 55.69 57.52 3a47 s MET 449 Cb -0.54 -3.00 0.13 0.00 1.25 0.00 0.00 34.83 32.68 3a47 s MET 449 CO 0.56 -0.61 0.49 -0.65 1.05 0.00 0.00 175.02 175.86 3a47 s GLN 450 N -1.12 2.97 0.03 4.11 -0.21 -1.26 -4.19 119.66 119.99 3a47 s GLN 450 Ca 0.59 -1.72 0.14 0.00 0.02 0.00 0.00 55.36 54.39 3a47 s GLN 450 Cb -0.48 -4.28 -0.18 0.00 1.00 0.00 0.00 33.01 29.08 3a47 s GLN 450 CO 0.54 -1.32 0.83 -1.49 -2.12 0.00 0.00 175.29 171.73 3a47 h TRP 451 N 8.86 0.00 -3.38 0.91 4.06 -0.92 -0.74 115.95 124.74 3a47 h TRP 451 Ca -0.29 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.54 3a47 h TRP 451 Cb 1.10 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.24 3a47 h TRP 451 CO 0.73 0.82 0.13 -1.54 -3.56 0.00 0.00 178.44 175.01 3a47 s SER 452 N -6.06 0.38 0.00 -3.49 1.04 -0.07 -0.79 113.70 104.72 3a47 s SER 452 Ca -0.03 -1.32 0.20 0.00 0.48 0.00 0.00 55.95 55.28 3a47 s SER 452 Cb 0.08 0.81 0.57 0.00 0.10 0.00 0.00 66.02 67.58 3a47 s SER 452 CO 0.81 -1.60 1.46 -2.11 0.98 0.00 0.00 173.24 172.78 3a47 n ARG 453 N -0.56 2.07 -1.70 4.02 1.85 -1.26 -4.39 116.66 116.68 3a47 n ARG 453 Ca -0.06 -1.62 -0.44 0.00 -1.00 0.00 0.00 57.85 54.74 3a47 n ARG 453 Cb 0.60 -1.43 -0.03 0.00 -1.05 0.00 0.00 32.46 30.56 3a47 n ARG 453 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3a47 n GLU 454 N 0.84 2.43 -2.93 2.89 2.13 -1.26 -4.81 120.64 119.92 3a47 n GLU 454 Ca 0.17 0.87 -0.37 0.00 0.66 0.00 0.00 57.16 58.49 3a47 n GLU 454 Cb 0.44 -2.63 -0.06 0.00 0.27 0.00 0.00 31.44 29.45 3a47 n GLU 454 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3a47 s GLU 455 N 0.21 4.46 0.00 5.31 0.41 -1.26 -0.65 118.70 127.19 3a47 s GLU 455 Ca 0.71 1.13 0.24 0.00 -0.41 0.00 0.00 54.97 56.63 3a47 s GLU 455 Cb -0.58 -2.91 0.40 0.00 -1.78 0.00 0.00 34.13 29.26 3a47 s GLU 455 CO 0.43 0.37 1.38 -0.35 -0.49 0.00 0.00 175.26 176.60 3a47 n PRO 456 N 0.80 2.38 -0.12 0.39 -0.04 -1.26 -4.70 135.00 132.45 3a47 n PRO 456 Ca -0.01 -2.06 0.07 0.00 -0.04 0.00 0.00 63.50 61.46 3a47 n PRO 456 Cb 0.50 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.60 3a47 n PRO 456 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3a47 n ASN 457 N 1.33 2.67 -2.41 3.54 3.02 -1.18 -4.89 115.26 117.35 3a47 n ASN 457 Ca 0.18 -1.80 -0.19 0.00 -0.03 0.00 0.00 54.58 52.73 3a47 n ASN 457 Cb 0.58 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.59 3a47 n ASN 457 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a47 n ALA 458 N 0.75 -0.65 -0.83 5.41 0.00 0.18 -1.48 120.51 123.89 3a47 n ALA 458 Ca 0.11 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3a47 n ALA 458 Cb 0.41 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3a47 n ALA 458 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a47 n GLY 459 N -0.98 1.21 0.27 0.00 0.00 -1.26 -0.25 105.19 104.17 3a47 n GLY 459 Ca -0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 3a47 n GLY 459 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3a47 h PHE 460 N 0.00 1.10 -4.36 1.61 3.57 -1.42 -3.44 116.94 114.00 3a47 h PHE 460 Ca 0.00 -0.30 -0.33 0.00 3.53 0.00 0.00 57.97 60.87 3a47 h PHE 460 Cb 0.00 -0.24 -0.14 0.00 2.79 0.00 0.00 35.95 38.35 3a47 h PHE 460 CO 0.00 1.12 -0.59 -1.12 -2.23 0.00 0.00 178.31 175.50 3a47 s SER 461 N -6.75 0.86 0.85 0.41 0.01 -1.25 -1.71 113.70 106.12 3a47 s SER 461 Ca -0.11 -1.48 -0.10 0.00 1.31 0.00 0.00 55.95 55.56 3a47 s SER 461 Cb 0.11 0.37 0.11 0.00 0.21 0.00 0.00 66.02 66.82 3a47 s SER 461 CO 0.87 -0.87 1.11 -0.83 0.41 0.00 0.00 173.24 173.94 3a47 s GLY 462 N -3.26 1.67 0.63 3.44 0.00 -1.26 -4.73 107.32 103.81 3a47 s GLY 462 Ca 0.38 0.37 0.41 0.00 0.00 0.00 0.00 44.72 45.89 3a47 s GLY 462 CO 0.16 0.77 2.25 -0.56 0.00 0.00 0.00 173.10 175.72 3a47 h PRO 463 N -1.52 0.00 0.00 2.90 0.13 -1.98 -2.38 132.00 129.15 3a47 h PRO 463 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3a47 h PRO 463 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3a47 h PRO 463 CO 0.47 0.00 -0.44 -1.13 -0.23 0.00 0.00 178.00 176.67 3a47 n SER 464 N -3.07 0.45 -4.85 1.44 3.41 -1.26 -4.60 113.62 105.15 3a47 n SER 464 Ca -0.02 -0.10 -0.32 0.00 -0.26 0.00 0.00 58.87 58.17 3a47 n SER 464 Cb 0.14 0.13 -0.02 0.00 -0.26 0.00 0.00 64.21 64.20 3a47 n SER 464 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a47 s ALA 465 N -3.02 3.08 -0.38 7.33 0.00 -0.90 -5.04 121.76 122.83 3a47 s ALA 465 Ca 0.11 0.09 -0.09 0.00 0.00 0.00 0.00 51.96 52.07 3a47 s ALA 465 Cb 0.17 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 20.24 3a47 s ALA 465 CO 0.68 -0.38 0.20 0.21 0.00 0.00 0.00 175.76 176.46 3a47 s LYS 466 N -4.43 2.66 0.69 0.00 2.20 -1.26 -4.98 119.74 114.61 3a47 s LYS 466 Ca 0.58 -1.27 -0.16 0.00 -0.36 0.00 0.00 55.97 54.75 3a47 s LYS 466 Cb -0.10 -3.66 0.01 0.00 -1.51 0.00 0.00 37.83 32.57 3a47 s LYS 466 CO 0.39 -0.79 1.23 -2.14 -0.36 0.00 0.00 175.35 173.67 3a47 s PRO 467 N 1.45 2.38 0.50 4.03 0.02 -1.26 -4.08 135.00 138.04 3a47 s PRO 467 Ca 0.01 1.86 0.22 0.00 0.02 0.00 0.00 61.00 63.11 3a47 s PRO 467 Cb -0.21 -1.85 1.33 0.00 0.02 0.00 0.00 34.50 33.79 3a47 s PRO 467 CO 0.04 -1.67 2.08 0.11 -0.33 0.00 0.00 177.00 177.22 3a47 h TRP 468 N 0.12 0.00 -3.64 6.54 5.08 -1.28 -3.43 115.95 119.35 3a47 h TRP 468 Ca -0.49 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.33 3a47 h TRP 468 Cb 1.31 0.00 -0.20 0.00 -3.00 0.00 0.00 29.16 27.26 3a47 h TRP 468 CO 0.45 0.11 -0.54 0.12 -1.28 0.00 0.00 178.44 177.31 3a47 s PHE 469 N -4.52 0.10 0.52 0.12 5.99 -1.26 -5.10 117.98 113.83 3a47 s PHE 469 Ca -0.04 -0.25 -0.22 0.00 0.00 0.00 0.00 56.93 56.42 3a47 s PHE 469 Cb 0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 43.02 43.03 3a47 s PHE 469 CO 0.63 -0.27 1.29 0.71 -0.00 0.00 0.00 175.22 177.58 3a47 s TYR 470 N -1.50 2.46 0.28 10.12 1.51 -1.26 -4.52 117.35 124.43 3a47 s TYR 470 Ca -0.14 1.43 -0.29 0.00 -1.01 0.00 0.00 57.07 57.05 3a47 s TYR 470 Cb -0.08 -3.66 -0.10 0.00 -0.11 0.00 0.00 41.96 38.02 3a47 s TYR 470 CO 0.01 -2.45 1.14 -0.51 -1.11 0.00 0.00 175.55 172.62 3a47 s LEU 471 N -3.41 4.53 0.13 -1.29 2.01 -1.26 -4.23 118.68 115.15 3a47 s LEU 471 Ca 0.70 2.32 -0.31 0.00 0.01 0.00 0.00 54.13 56.85 3a47 s LEU 471 Cb -0.36 -3.63 -0.08 0.00 0.01 0.00 0.00 46.19 42.13 3a47 s LEU 471 CO 0.43 -0.22 1.38 0.21 1.01 0.00 0.00 176.35 179.16 3a47 s ASN 472 N -0.73 6.83 0.39 2.29 3.84 -1.26 -4.92 114.94 121.38 3a47 s ASN 472 Ca 0.46 2.34 0.25 0.00 0.21 0.00 0.00 52.86 56.12 3a47 s ASN 472 Cb -0.33 -2.59 1.34 0.00 -0.55 0.00 0.00 41.25 39.12 3a47 s ASN 472 CO 0.42 -0.63 1.74 0.44 -2.79 0.00 0.00 177.10 176.28 3a47 h ASP 473 N 6.56 0.00 -0.04 -4.21 3.32 -1.96 -3.01 116.42 117.08 3a47 h ASP 473 Ca -0.43 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.64 3a47 h ASP 473 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 3a47 h ASP 473 CO 0.85 0.00 0.14 0.77 -1.72 0.00 0.00 179.24 179.28 3a47 h SER 474 N 0.00 0.00 0.16 6.45 4.64 -1.93 -1.94 113.55 120.93 3a47 h SER 474 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3a47 h SER 474 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3a47 h SER 474 CO 0.00 0.00 -0.09 2.19 -0.87 0.00 0.00 176.83 178.06 3a47 h PHE 475 N 0.00 0.00 0.00 4.77 -5.15 -1.67 -0.21 116.94 114.68 3a47 h PHE 475 Ca 0.02 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 3a47 h PHE 475 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.47 3a47 h PHE 475 CO 0.00 0.09 0.00 0.54 -2.00 0.00 0.00 178.31 176.94 3a47 n ARG 476 N -4.02 0.03 -0.79 6.09 1.74 -0.73 -3.27 116.66 115.71 3a47 n ARG 476 Ca -0.02 0.05 0.04 0.00 -0.77 0.00 0.00 57.85 57.14 3a47 n ARG 476 Cb 0.17 -1.54 0.33 0.00 -1.02 0.00 0.00 32.46 30.40 3a47 n ARG 476 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3a47 n GLU 477 N -1.59 3.83 -0.76 5.56 1.02 -0.11 -4.92 120.64 123.67 3a47 n GLU 477 Ca 0.06 -3.05 0.00 0.00 -0.02 0.00 0.00 57.16 54.15 3a47 n GLU 477 Cb 0.33 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 3a47 n GLU 477 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a47 n GLY 478 N -0.03 0.81 3.52 0.62 0.00 -1.20 -4.98 105.19 103.93 3a47 n GLY 478 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 3a47 n GLY 478 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a47 s ILE 479 N -3.11 4.45 0.06 -0.61 1.01 -1.13 -4.32 121.20 117.56 3a47 s ILE 479 Ca 0.00 -1.84 -0.26 0.00 0.00 0.00 0.00 60.65 58.54 3a47 s ILE 479 Cb 0.00 -5.02 0.08 0.00 0.01 0.00 0.00 42.46 37.54 3a47 s ILE 479 CO 0.00 -1.80 0.72 0.54 0.00 0.00 0.00 174.94 174.40 3a47 s ASN 480 N 3.86 -0.51 0.07 3.58 2.20 -1.26 -4.06 114.94 118.83 3a47 s ASN 480 Ca 0.45 0.11 -0.24 0.00 -0.94 0.00 0.00 52.86 52.25 3a47 s ASN 480 Cb -0.00 0.51 -0.16 0.00 -2.00 0.00 0.00 41.25 39.59 3a47 s ASN 480 CO -0.01 -0.78 1.65 0.58 -2.94 0.00 0.00 177.10 175.60 3a47 h VAL 481 N 2.16 1.05 -0.03 3.54 2.07 -0.97 -1.35 116.25 122.71 3a47 h VAL 481 Ca -0.29 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.06 3a47 h VAL 481 Cb 1.26 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 3a47 h VAL 481 CO 0.35 0.05 -0.14 -0.08 0.02 0.00 0.00 177.57 177.78 3a47 h GLU 482 N -0.11 -0.20 -0.54 1.57 4.81 -1.26 -0.36 114.58 118.49 3a47 h GLU 482 Ca -0.00 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3a47 h GLU 482 Cb 0.11 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3a47 h GLU 482 CO 0.00 -0.14 0.12 -0.44 -0.73 0.00 0.00 179.01 177.82 3a47 h ASP 483 N -0.21 0.83 0.48 1.04 3.32 -1.82 -3.11 116.42 116.95 3a47 h ASP 483 Ca 0.06 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.76 3a47 h ASP 483 Cb 0.29 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3a47 h ASP 483 CO -0.16 0.86 -0.49 -0.33 -1.72 0.00 0.00 179.24 177.40 3a47 h GLU 484 N 0.76 0.01 -0.74 3.56 5.08 -0.83 -2.33 114.58 120.10 3a47 h GLU 484 Ca 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3a47 h GLU 484 Cb 0.36 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 3a47 h GLU 484 CO 0.00 0.49 0.47 0.82 -1.00 0.00 0.00 179.01 179.80 3a47 h ILE 485 N 0.01 1.20 0.00 3.13 2.04 -1.00 -2.92 117.51 119.97 3a47 h ILE 485 Ca -0.00 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3a47 h ILE 485 Cb 0.86 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3a47 h ILE 485 CO 0.06 0.20 -0.18 0.11 0.00 0.00 0.00 178.15 178.35 3a47 h LYS 486 N 1.01 0.00 -5.61 2.37 1.57 -1.48 -3.41 116.57 111.02 3a47 h LYS 486 Ca 0.27 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.41 3a47 h LYS 486 Cb -0.08 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.10 3a47 h LYS 486 CO -0.05 0.18 0.30 0.34 -0.57 0.00 0.00 179.45 179.64 3a47 s ASP 487 N -6.20 6.36 0.63 0.86 2.15 -0.90 -4.92 116.67 114.65 3a47 s ASP 487 Ca 0.04 -0.30 0.42 0.00 0.43 0.00 0.00 52.55 53.14 3a47 s ASP 487 Cb 0.07 -2.37 2.14 0.00 -0.30 0.00 0.00 42.92 42.46 3a47 s ASP 487 CO 0.67 -0.93 2.26 1.55 -0.17 0.00 0.00 175.17 178.55 3a47 h PRO 488 N 9.01 0.00 -0.32 4.34 0.13 -1.82 -1.33 132.00 142.02 3a47 h PRO 488 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3a47 h PRO 488 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3a47 h PRO 488 CO 0.97 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 177.03 3a47 n ASN 489 N -3.08 2.29 -4.78 1.44 4.05 -1.26 -4.78 115.26 109.14 3a47 n ASN 489 Ca -0.02 -1.87 -0.31 0.00 0.45 0.00 0.00 54.58 52.83 3a47 n ASN 489 Cb 0.14 -0.21 0.08 0.00 1.23 0.00 0.00 39.78 41.02 3a47 n ASN 489 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 3a47 s SER 490 N -1.34 4.65 0.22 1.20 1.04 -0.50 -4.89 113.70 114.07 3a47 s SER 490 Ca 0.33 1.79 -0.09 0.00 0.48 0.00 0.00 55.95 58.46 3a47 s SER 490 Cb 0.18 -2.51 0.18 0.00 0.10 0.00 0.00 66.02 63.96 3a47 s SER 490 CO 0.25 -1.94 1.84 0.58 0.98 0.00 0.00 173.24 174.95 3a47 h VAL 491 N -1.06 1.24 -0.13 5.02 2.07 -1.85 -1.64 116.25 119.89 3a47 h VAL 491 Ca -0.44 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 66.54 3a47 h VAL 491 Cb 1.23 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 3a47 h VAL 491 CO 0.52 0.26 -0.05 0.25 0.02 0.00 0.00 177.57 178.58 3a47 h LEU 492 N 1.14 -0.16 -1.60 2.57 5.85 -1.61 0.63 115.31 122.12 3a47 h LEU 492 Ca 0.29 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 59.01 3a47 h LEU 492 Cb 0.01 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3a47 h LEU 492 CO -0.05 -0.06 -0.20 0.78 -0.34 0.00 0.00 178.44 178.57 3a47 h ASN 493 N -0.02 0.00 -0.28 1.25 2.35 -1.76 -1.86 115.58 115.26 3a47 h ASN 493 Ca 0.07 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 3a47 h ASN 493 Cb 0.13 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3a47 h ASN 493 CO -0.15 0.20 -0.22 0.15 -1.65 0.00 0.00 177.43 175.76 3a47 h PHE 494 N 0.00 0.77 -0.83 1.19 3.57 -0.62 -2.45 116.94 118.56 3a47 h PHE 494 Ca -0.00 -0.21 0.03 0.00 3.53 0.00 0.00 57.97 61.31 3a47 h PHE 494 Cb 0.35 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 3a47 h PHE 494 CO 0.00 0.93 0.55 -1.49 -2.23 0.00 0.00 178.31 176.06 3a47 h TRP 495 N 0.39 1.01 -0.55 0.41 4.06 -0.45 0.13 115.95 120.95 3a47 h TRP 495 Ca 0.05 0.02 0.03 0.00 2.06 0.00 0.00 58.89 61.06 3a47 h TRP 495 Cb 0.77 -0.34 -0.04 0.00 -1.00 0.00 0.00 29.16 28.55 3a47 h TRP 495 CO 0.07 0.60 0.31 0.87 -3.56 0.00 0.00 178.44 176.73 3a47 h LYS 496 N 1.05 0.60 -0.50 0.49 1.57 -1.20 -0.74 116.57 117.84 3a47 h LYS 496 Ca 0.33 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 3a47 h LYS 496 Cb -0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3a47 h LYS 496 CO -0.09 0.40 0.25 0.93 -0.57 0.00 0.00 179.45 180.36 3a47 h GLU 497 N 0.62 0.72 -0.74 3.15 5.08 -0.72 -2.23 114.58 120.47 3a47 h GLU 497 Ca 0.23 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3a47 h GLU 497 Cb 0.07 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 3a47 h GLU 497 CO -0.12 0.59 0.34 0.00 -1.00 0.00 0.00 179.01 178.82 3a47 h ALA 498 N 1.09 0.96 -0.35 3.43 0.00 -0.30 0.18 119.26 124.27 3a47 h ALA 498 Ca 0.17 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3a47 h ALA 498 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3a47 h ALA 498 CO -0.02 0.54 -0.36 -0.07 0.00 0.00 0.00 179.25 179.33 3a47 h LEU 499 N 1.04 0.86 -0.70 0.00 3.38 -1.07 -0.71 115.31 118.12 3a47 h LEU 499 Ca 0.25 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3a47 h LEU 499 Cb 0.15 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3a47 h LEU 499 CO -0.03 1.13 0.46 0.11 0.09 0.00 0.00 178.44 180.20 3a47 h LYS 500 N 0.67 0.90 -0.31 1.13 1.57 -1.05 -1.48 116.57 118.01 3a47 h LYS 500 Ca 0.06 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3a47 h LYS 500 Cb 0.92 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 3a47 h LYS 500 CO 0.08 0.60 0.11 0.35 -0.57 0.00 0.00 179.45 180.02 3a47 h PHE 501 N 0.93 0.48 -0.55 -1.35 3.57 -0.74 -1.44 116.94 117.83 3a47 h PHE 501 Ca 0.26 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3a47 h PHE 501 Cb -0.09 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 3a47 h PHE 501 CO -0.03 0.48 0.36 -0.09 -2.23 0.00 0.00 178.31 176.80 3a47 h ARG 502 N 0.34 0.73 -0.47 1.11 2.43 -0.94 -1.82 114.38 115.76 3a47 h ARG 502 Ca 0.10 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 3a47 h ARG 502 Cb 0.21 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3a47 h ARG 502 CO -0.01 0.49 -0.02 -0.22 -1.51 0.00 0.00 179.97 178.70 3a47 h LYS 503 N 0.75 0.85 0.00 0.20 1.63 -1.16 -1.33 116.57 117.51 3a47 h LYS 503 Ca 0.20 -0.28 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 3a47 h LYS 503 Cb -0.07 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.48 3a47 h LYS 503 CO -0.04 0.91 -0.09 0.00 -3.45 0.00 0.00 179.45 176.78 3a47 h ALA 504 N 0.91 1.57 -0.20 5.00 0.00 -0.97 -2.67 119.26 122.90 3a47 h ALA 504 Ca 0.13 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 3a47 h ALA 504 Cb 0.54 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.20 3a47 h ALA 504 CO 0.03 0.11 -0.55 0.72 0.00 0.00 0.00 179.25 179.56 3a47 n HIS 505 N -4.02 0.73 0.17 0.00 8.25 -0.71 -4.88 115.22 114.76 3a47 n HIS 505 Ca -0.02 -1.69 0.12 0.00 -0.26 0.00 0.00 57.72 55.87 3a47 n HIS 505 Cb 0.18 -0.29 0.66 0.00 1.12 0.00 0.00 29.99 31.65 3a47 n HIS 505 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 3a47 h LYS 506 N 1.29 0.00 -0.62 -0.41 2.10 -0.88 -1.22 116.57 116.82 3a47 h LYS 506 Ca 0.10 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.81 3a47 h LYS 506 Cb 1.16 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.43 3a47 h LYS 506 CO 0.21 0.00 0.32 -0.44 -2.00 0.00 0.00 179.45 177.54 3a47 h ASP 507 N 0.00 0.45 0.04 7.07 3.32 -1.87 -1.20 116.42 124.23 3a47 h ASP 507 Ca 0.08 0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.02 3a47 h ASP 507 Cb 0.34 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 3a47 h ASP 507 CO -0.00 0.29 -2.11 0.00 -1.72 0.00 0.00 179.24 175.70 3a47 n ILE 508 N -4.85 0.59 -0.05 0.35 3.06 -0.79 -2.14 119.36 115.54 3a47 n ILE 508 Ca 0.08 -0.65 -0.08 0.00 -2.50 0.00 0.00 62.75 59.60 3a47 n ILE 508 Cb 0.18 -0.21 -0.07 0.00 0.54 0.00 0.00 39.64 40.08 3a47 n ILE 508 CO 0.00 0.00 0.00 0.71 -2.50 0.00 0.00 176.55 174.76 3a47 h THR 509 N 0.00 0.99 0.08 9.51 1.35 -1.26 -2.89 112.91 120.69 3a47 h THR 509 Ca -0.22 -1.69 -0.17 0.00 -0.55 0.00 0.00 66.41 63.78 3a47 h THR 509 Cb 1.50 1.85 0.02 0.00 -1.73 0.00 0.00 68.15 69.79 3a47 h THR 509 CO 0.01 0.33 -0.73 0.58 -0.25 0.00 0.00 175.52 175.47 3a47 h VAL 510 N -0.99 1.48 -0.50 6.82 2.07 -1.47 -2.95 116.25 120.71 3a47 h VAL 510 Ca -0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 3a47 h VAL 510 Cb 0.55 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 3a47 h VAL 510 CO 0.00 0.67 0.00 -1.22 0.02 0.00 0.00 177.57 177.04 3a47 n TYR 511 N -4.16 0.70 -1.88 1.57 4.01 -0.70 -2.58 117.16 114.12 3a47 n TYR 511 Ca -0.12 -0.51 -0.36 0.00 -0.16 0.00 0.00 57.90 56.74 3a47 n TYR 511 Cb 0.76 -0.03 0.05 0.00 -0.31 0.00 0.00 39.34 39.81 3a47 n TYR 511 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3a47 s GLY 512 N -1.02 2.76 0.25 2.72 0.00 -0.91 -4.74 107.32 106.38 3a47 s GLY 512 Ca 0.34 1.07 0.04 0.00 0.00 0.00 0.00 44.72 46.17 3a47 s GLY 512 CO 0.22 1.48 0.14 1.58 0.00 0.00 0.00 173.10 176.52 3a47 n TYR 513 N -1.78 -0.18 -3.92 1.90 0.18 -0.04 -4.78 117.16 108.54 3a47 n TYR 513 Ca 0.14 -1.82 -0.27 0.00 1.88 0.00 0.00 57.90 57.83 3a47 n TYR 513 Cb 0.49 0.08 0.00 0.00 -0.38 0.00 0.00 39.34 39.54 3a47 n TYR 513 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 3a47 n ASP 514 N -1.88 -2.06 -4.70 9.48 8.00 -1.26 -0.11 116.55 124.01 3a47 n ASP 514 Ca 0.00 -0.91 -0.43 0.00 0.71 0.00 0.00 54.79 54.17 3a47 n ASP 514 Cb 0.41 -3.46 -0.03 0.00 -0.02 0.00 0.00 41.12 38.01 3a47 n ASP 514 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3a47 n PHE 515 N -4.43 2.65 -4.22 1.24 7.35 -1.26 -4.43 117.46 114.36 3a47 n PHE 515 Ca -0.16 0.03 -0.20 0.00 -0.76 0.00 0.00 57.45 56.35 3a47 n PHE 515 Cb 0.62 -2.67 -0.16 0.00 0.35 0.00 0.00 39.48 37.62 3a47 n PHE 515 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3a47 s GLU 516 N 1.54 0.85 0.38 -4.13 0.41 -0.52 -5.00 118.70 112.24 3a47 s GLU 516 Ca 0.77 -0.16 -0.25 0.00 -0.41 0.00 0.00 54.97 54.93 3a47 s GLU 516 Cb -0.53 -0.82 -0.09 0.00 -1.78 0.00 0.00 34.13 30.91 3a47 s GLU 516 CO 0.34 -0.03 1.07 -0.06 -0.49 0.00 0.00 175.26 176.10 3a47 s PHE 517 N 0.68 3.28 -0.17 1.61 0.40 -1.26 -1.01 117.98 121.50 3a47 s PHE 517 Ca -0.09 1.64 -0.02 0.00 -0.60 0.00 0.00 56.93 57.86 3a47 s PHE 517 Cb -0.13 -3.19 -0.01 0.00 0.51 0.00 0.00 43.02 40.21 3a47 s PHE 517 CO 0.00 -0.73 -0.10 0.42 0.70 0.00 0.00 175.22 175.52 3a47 s ILE 518 N -1.55 3.11 -1.16 0.64 -1.09 -0.31 -4.72 121.20 116.13 3a47 s ILE 518 Ca 0.56 -0.61 -0.12 0.00 -2.23 0.00 0.00 60.65 58.25 3a47 s ILE 518 Cb -0.25 -2.36 -0.02 0.00 -1.58 0.00 0.00 42.46 38.25 3a47 s ILE 518 CO 0.31 0.48 0.80 -0.67 -1.23 0.00 0.00 174.94 174.63 3a47 n ASP 519 N 4.18 -4.67 -0.34 3.58 2.03 -1.26 -4.05 116.55 116.01 3a47 n ASP 519 Ca -0.18 -0.90 0.16 0.00 0.52 0.00 0.00 54.79 54.39 3a47 n ASP 519 Cb 0.52 -3.99 0.37 0.00 -0.72 0.00 0.00 41.12 37.29 3a47 n ASP 519 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3a47 h LEU 520 N -1.68 0.70 -0.28 -2.67 5.85 -1.90 -2.17 115.31 113.17 3a47 h LEU 520 Ca -0.64 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3a47 h LEU 520 Cb 1.35 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3a47 h LEU 520 CO 0.49 0.19 0.00 0.47 -0.34 0.00 0.00 178.44 179.25 3a47 n ASP 521 N -4.79 0.74 -4.67 1.25 9.92 -1.26 -4.51 116.55 113.24 3a47 n ASP 521 Ca 0.25 0.61 -0.48 0.00 -0.53 0.00 0.00 54.79 54.64 3a47 n ASP 521 Cb 0.67 -0.80 -0.05 0.00 -0.64 0.00 0.00 41.12 40.31 3a47 n ASP 521 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3a47 n ASN 522 N -2.24 3.02 0.00 -2.24 2.85 -0.82 -4.75 115.26 111.09 3a47 n ASN 522 Ca 0.04 1.05 0.13 0.00 -0.11 0.00 0.00 54.58 55.69 3a47 n ASN 522 Cb 0.35 -1.37 0.59 0.00 1.24 0.00 0.00 39.78 40.58 3a47 n ASN 522 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3a47 n LYS 523 N 4.35 0.08 0.00 1.20 5.02 -1.26 -4.16 118.16 123.38 3a47 n LYS 523 Ca 0.19 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 3a47 n LYS 523 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 3a47 n LYS 523 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3a47 n LYS 524 N -1.46 0.00 -2.88 1.97 5.02 -1.26 -4.48 118.16 115.08 3a47 n LYS 524 Ca 0.08 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.95 3a47 n LYS 524 Cb 0.29 -0.74 -0.04 0.00 -0.02 0.00 0.00 35.03 34.52 3a47 n LYS 524 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3a47 s LEU 525 N -5.52 4.10 -0.38 -0.35 2.96 -1.26 -0.50 118.68 117.73 3a47 s LEU 525 Ca 0.00 1.08 -0.10 0.00 -0.22 0.00 0.00 54.13 54.89 3a47 s LEU 525 Cb 0.00 -3.22 0.04 0.00 0.50 0.00 0.00 46.19 43.51 3a47 s LEU 525 CO 0.00 -0.50 0.21 0.12 -1.32 0.00 0.00 176.35 174.87 3a47 s PHE 526 N 2.71 3.26 0.02 5.38 2.19 0.34 -4.60 117.98 127.29 3a47 s PHE 526 Ca 0.36 -1.13 0.01 0.00 0.33 0.00 0.00 56.93 56.50 3a47 s PHE 526 Cb -0.16 -2.56 -0.02 0.00 -1.31 0.00 0.00 43.02 38.98 3a47 s PHE 526 CO 0.08 -0.71 -0.06 0.45 1.83 0.00 0.00 175.22 176.82 3a47 s SER 527 N 1.69 0.61 0.14 6.13 0.15 -1.26 -1.08 113.70 120.09 3a47 s SER 527 Ca 0.02 -0.36 -0.24 0.00 0.70 0.00 0.00 55.95 56.06 3a47 s SER 527 Cb -0.20 0.01 0.07 0.00 -1.71 0.00 0.00 66.02 64.19 3a47 s SER 527 CO 0.05 -0.12 0.73 0.72 1.20 0.00 0.00 173.24 175.82 3a47 s PHE 528 N -0.91 -0.38 0.21 3.44 -0.12 -0.99 -1.16 117.98 118.07 3a47 s PHE 528 Ca -0.07 0.14 0.11 0.00 -0.05 0.00 0.00 56.93 57.06 3a47 s PHE 528 Cb -0.07 0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 42.87 3a47 s PHE 528 CO -0.00 -0.84 -0.22 0.95 -0.05 0.00 0.00 175.22 175.06 3a47 s THR 529 N -3.57 2.29 0.09 -4.49 -4.23 -0.18 -0.83 115.64 104.71 3a47 s THR 529 Ca 0.05 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 58.42 3a47 s THR 529 Cb -0.02 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.65 3a47 s THR 529 CO -0.07 -0.24 -0.00 -0.54 -0.54 0.00 0.00 174.62 173.23 3a47 s LYS 530 N -2.96 0.75 0.16 3.99 1.02 -0.45 -1.43 119.74 120.82 3a47 s LYS 530 Ca 0.23 -1.32 0.09 0.00 0.02 0.00 0.00 55.97 54.99 3a47 s LYS 530 Cb -0.07 0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 3a47 s LYS 530 CO 0.11 -0.16 -0.21 0.15 -0.92 0.00 0.00 175.35 174.33 3a47 s LYS 531 N -3.96 1.30 -0.27 1.68 -0.14 0.84 -1.01 119.74 118.18 3a47 s LYS 531 Ca 0.14 -1.38 -0.01 0.00 -1.36 0.00 0.00 55.97 53.37 3a47 s LYS 531 Cb 0.08 -1.49 0.16 0.00 -1.68 0.00 0.00 37.83 34.89 3a47 s LYS 531 CO -0.05 0.32 0.45 -0.47 -0.76 0.00 0.00 175.35 174.83 3a47 s TYR 532 N -1.72 -1.10 0.00 3.18 5.04 -0.71 -0.87 117.35 121.18 3a47 s TYR 532 Ca 0.15 0.92 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 3a47 s TYR 532 Cb -0.07 0.11 0.00 0.00 0.35 0.00 0.00 41.96 42.35 3a47 s TYR 532 CO 0.07 -0.84 0.00 0.09 -1.34 0.00 0.00 175.55 173.53 3a47 n ASN 533 N 5.38 0.00 0.00 4.32 3.02 -1.26 -0.42 115.26 126.30 3a47 n ASN 533 Ca -0.02 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.68 3a47 n ASN 533 Cb 0.50 0.00 0.73 0.00 -0.61 0.00 0.00 39.78 40.41 3a47 n ASN 533 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3a47 n ASN 534 N 4.65 0.00 -4.86 6.41 6.94 -1.26 -4.86 115.26 122.28 3a47 n ASN 534 Ca 0.00 -0.19 -0.34 0.00 -0.02 0.00 0.00 54.58 54.03 3a47 n ASN 534 Cb 0.00 -0.26 -0.05 0.00 -2.36 0.00 0.00 39.78 37.10 3a47 n ASN 534 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3a47 s LYS 535 N -2.52 3.83 -0.07 -3.83 1.02 0.45 -4.56 119.74 114.05 3a47 s LYS 535 Ca 0.29 0.28 0.01 0.00 0.02 0.00 0.00 55.97 56.57 3a47 s LYS 535 Cb 0.19 -2.93 0.02 0.00 -0.52 0.00 0.00 37.83 34.59 3a47 s LYS 535 CO 0.43 0.50 -0.09 0.99 -0.92 0.00 0.00 175.35 176.26 3a47 s THR 536 N -1.48 0.95 -0.14 2.17 2.01 -0.34 -1.74 115.64 117.08 3a47 s THR 536 Ca 0.36 -0.33 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 3a47 s THR 536 Cb -0.14 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 3a47 s THR 536 CO 0.19 0.33 0.14 -0.22 -0.69 0.00 0.00 174.62 174.37 3a47 s LEU 537 N 1.06 4.34 -0.08 4.42 0.20 -0.18 -0.29 118.68 128.14 3a47 s LEU 537 Ca -0.08 0.41 0.02 0.00 0.69 0.00 0.00 54.13 55.17 3a47 s LEU 537 Cb -0.14 -2.09 0.02 0.00 -0.43 0.00 0.00 46.19 43.54 3a47 s LEU 537 CO -0.01 0.34 -0.11 0.12 -0.29 0.00 0.00 176.35 176.40 3a47 s PHE 538 N -0.63 1.48 -0.08 5.38 5.36 0.78 -1.34 117.98 128.94 3a47 s PHE 538 Ca 0.13 -0.60 0.01 0.00 -0.96 0.00 0.00 56.93 55.51 3a47 s PHE 538 Cb -0.12 -1.12 -0.03 0.00 -0.34 0.00 0.00 43.02 41.42 3a47 s PHE 538 CO 0.03 -0.34 -0.10 0.00 -1.46 0.00 0.00 175.22 173.35 3a47 s ALA 539 N 0.91 2.82 -0.17 11.12 0.00 -0.01 -0.27 121.76 136.17 3a47 s ALA 539 Ca -0.10 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 3a47 s ALA 539 Cb -0.15 -1.18 0.05 0.00 0.00 0.00 0.00 23.12 21.84 3a47 s ALA 539 CO 0.01 0.47 -0.02 0.00 0.00 0.00 0.00 175.76 176.22 3a47 s ALA 540 N -0.46 1.28 -0.11 0.00 0.00 -0.36 -2.35 121.76 119.76 3a47 s ALA 540 Ca 0.06 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.28 3a47 s ALA 540 Cb -0.12 -1.13 0.02 0.00 0.00 0.00 0.00 23.12 21.89 3a47 s ALA 540 CO 0.02 -0.91 -0.11 -0.51 0.00 0.00 0.00 175.76 174.25 3a47 s LEU 541 N 1.72 1.46 -0.70 0.00 1.43 -0.24 -0.97 118.68 121.39 3a47 s LEU 541 Ca 0.00 -0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 52.59 3a47 s LEU 541 Cb -0.16 -0.95 0.17 0.00 0.03 0.00 0.00 46.19 45.29 3a47 s LEU 541 CO -0.07 -0.06 0.66 0.21 0.23 0.00 0.00 176.35 177.32 3a47 s ASN 542 N 1.35 6.49 -1.50 2.29 2.47 0.18 -0.50 114.94 125.71 3a47 s ASN 542 Ca -0.01 -2.24 -0.09 0.00 0.42 0.00 0.00 52.86 50.94 3a47 s ASN 542 Cb -0.14 -2.22 -0.00 0.00 -1.45 0.00 0.00 41.25 37.44 3a47 s ASN 542 CO -0.05 -0.73 2.64 0.49 -3.72 0.00 0.00 177.10 175.73 3a47 n PHE 543 N 4.68 2.66 -3.49 0.43 3.01 0.35 -3.09 117.46 122.01 3a47 n PHE 543 Ca 0.01 -2.99 -0.09 0.00 1.01 0.00 0.00 57.45 55.39 3a47 n PHE 543 Cb 0.44 -2.30 -0.02 0.00 -0.01 0.00 0.00 39.48 37.59 3a47 n PHE 543 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3a47 s SER 544 N 1.77 -0.42 0.00 4.37 1.04 -1.26 -4.76 113.70 114.43 3a47 s SER 544 Ca 0.61 -0.01 0.29 0.00 0.48 0.00 0.00 55.95 57.32 3a47 s SER 544 Cb 0.17 0.45 1.34 0.00 0.10 0.00 0.00 66.02 68.09 3a47 s SER 544 CO -0.07 -0.74 1.92 -1.20 0.98 0.00 0.00 173.24 174.14 3a47 n SER 545 N -0.29 0.46 -4.90 7.02 7.64 -1.26 -1.04 113.62 121.24 3a47 n SER 545 Ca -0.11 -0.70 -0.28 0.00 1.01 0.00 0.00 58.87 58.78 3a47 n SER 545 Cb 0.63 -0.07 -0.03 0.00 -1.01 0.00 0.00 64.21 63.73 3a47 n SER 545 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3a47 s ASP 546 N -2.36 6.43 0.47 6.43 1.01 -1.26 -4.61 116.67 122.78 3a47 s ASP 546 Ca 0.33 0.76 -0.23 0.00 0.71 0.00 0.00 52.55 54.13 3a47 s ASP 546 Cb 0.20 -2.17 -0.07 0.00 1.01 0.00 0.00 42.92 41.90 3a47 s ASP 546 CO 0.44 -0.26 1.19 0.00 0.21 0.00 0.00 175.17 176.74 3a47 s ALA 547 N -2.20 2.95 -0.05 5.23 0.00 -1.26 -4.13 121.76 122.30 3a47 s ALA 547 Ca 0.45 0.98 -0.02 0.00 0.00 0.00 0.00 51.96 53.36 3a47 s ALA 547 Cb -0.10 -3.40 0.04 0.00 0.00 0.00 0.00 23.12 19.65 3a47 s ALA 547 CO 0.32 -0.74 0.11 0.99 0.00 0.00 0.00 175.76 176.44 3a47 s THR 548 N -1.52 -0.05 0.56 0.00 2.01 -0.62 -4.96 115.64 111.05 3a47 s THR 548 Ca 0.65 0.19 -0.15 0.00 0.31 0.00 0.00 61.69 62.68 3a47 s THR 548 Cb -0.30 -0.20 -0.06 0.00 0.01 0.00 0.00 72.50 71.96 3a47 s THR 548 CO 0.36 0.08 1.01 -1.81 -0.69 0.00 0.00 174.62 173.57 3a47 s ASP 549 N 1.12 6.31 0.12 3.53 1.01 -1.26 0.01 116.67 127.50 3a47 s ASP 549 Ca -0.09 1.60 -0.10 0.00 0.71 0.00 0.00 52.55 54.68 3a47 s ASP 549 Cb -0.12 -2.51 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 3a47 s ASP 549 CO -0.05 -0.81 0.24 0.72 0.21 0.00 0.00 175.17 175.49 3a47 s PHE 550 N -2.70 0.20 0.03 4.23 -0.12 -0.38 -4.88 117.98 114.36 3a47 s PHE 550 Ca 0.59 -0.59 0.06 0.00 -0.05 0.00 0.00 56.93 56.94 3a47 s PHE 550 Cb -0.12 -0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.23 3a47 s PHE 550 CO 0.37 -0.62 -0.18 0.15 -0.05 0.00 0.00 175.22 174.89 3a47 s LYS 551 N -3.89 1.25 -0.27 1.99 1.02 -1.26 -4.76 119.74 113.81 3a47 s LYS 551 Ca 0.09 -0.81 -0.15 0.00 0.02 0.00 0.00 55.97 55.11 3a47 s LYS 551 Cb 0.04 -1.30 -0.03 0.00 -0.52 0.00 0.00 37.83 36.01 3a47 s LYS 551 CO -0.07 0.34 0.38 0.42 -0.92 0.00 0.00 175.35 175.49 3a47 s ILE 552 N -0.73 5.17 0.39 2.17 1.01 -1.26 -5.07 121.20 122.89 3a47 s ILE 552 Ca 0.06 0.56 -0.26 0.00 0.00 0.00 0.00 60.65 61.00 3a47 s ILE 552 Cb -0.08 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 3a47 s ILE 552 CO 0.01 0.14 1.28 -2.16 0.00 0.00 0.00 174.94 174.21 3a47 s PRO 553 N 2.09 4.04 -1.53 2.79 0.04 -1.26 -2.52 135.00 138.65 3a47 s PRO 553 Ca 0.15 2.12 -0.09 0.00 0.04 0.00 0.00 61.00 63.22 3a47 s PRO 553 Cb -0.16 -2.80 0.07 0.00 0.04 0.00 0.00 34.50 31.66 3a47 s PRO 553 CO 0.10 -0.42 0.65 0.09 0.04 0.00 0.00 177.00 177.46 3a47 n ASN 554 N 0.23 -2.14 -4.75 6.66 5.03 -1.26 -4.87 115.26 114.15 3a47 n ASN 554 Ca 0.03 -0.97 -0.41 0.00 0.87 0.00 0.00 54.58 54.10 3a47 n ASN 554 Cb 0.44 -3.11 -0.02 0.00 -1.02 0.00 0.00 39.78 36.07 3a47 n ASN 554 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3a47 s ASP 555 N -3.81 6.61 0.27 6.41 2.15 -1.05 -5.01 116.67 122.25 3a47 s ASP 555 Ca 0.38 2.74 -0.06 0.00 0.43 0.00 0.00 52.55 56.05 3a47 s ASP 555 Cb -0.20 -2.63 0.02 0.00 -0.30 0.00 0.00 42.92 39.81 3a47 s ASP 555 CO 0.89 -0.71 0.46 -0.90 -0.17 0.00 0.00 175.17 174.74 3a47 n ASP 556 N 1.79 -1.30 0.08 -0.34 5.68 -1.26 -5.04 116.55 116.16 3a47 n ASP 556 Ca 0.05 -2.26 0.08 0.00 -0.50 0.00 0.00 54.79 52.16 3a47 n ASP 556 Cb 0.40 2.27 0.38 0.00 -1.14 0.00 0.00 41.12 43.04 3a47 n ASP 556 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3a47 n SER 557 N -1.58 0.36 0.23 -1.12 3.41 -1.26 -2.69 113.62 110.97 3a47 n SER 557 Ca -0.03 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 3a47 n SER 557 Cb 0.42 -0.68 0.33 0.00 -0.26 0.00 0.00 64.21 64.03 3a47 n SER 557 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3a47 h SER 558 N 0.00 0.00 -2.99 4.04 4.64 -1.95 -3.42 113.55 113.87 3a47 h SER 558 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3a47 h SER 558 Cb 0.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.24 3a47 h SER 558 CO 0.00 0.05 1.14 -0.36 -0.87 0.00 0.00 176.83 176.79 3a47 s PHE 559 N -3.36 2.19 -0.10 4.77 0.40 -1.10 -4.11 117.98 116.68 3a47 s PHE 559 Ca 0.05 0.63 -0.03 0.00 -0.60 0.00 0.00 56.93 56.98 3a47 s PHE 559 Cb 0.07 -4.27 -0.03 0.00 0.51 0.00 0.00 43.02 39.29 3a47 s PHE 559 CO 0.63 -2.23 0.01 0.15 0.70 0.00 0.00 175.22 174.49 3a47 s LYS 560 N 5.33 3.13 -0.14 0.44 1.02 -0.71 -4.89 119.74 123.92 3a47 s LYS 560 Ca 0.65 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.95 3a47 s LYS 560 Cb -0.15 -2.85 -0.03 0.00 -0.52 0.00 0.00 37.83 34.28 3a47 s LYS 560 CO 0.31 0.64 1.42 -1.17 -0.92 0.00 0.00 175.35 175.63 3a47 s LEU 561 N -0.71 4.18 -0.04 3.17 2.96 -1.26 -0.79 118.68 126.20 3a47 s LEU 561 Ca 0.11 1.83 0.07 0.00 -0.22 0.00 0.00 54.13 55.92 3a47 s LEU 561 Cb -0.12 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.94 3a47 s LEU 561 CO 0.02 -0.87 0.10 -0.62 -1.32 0.00 0.00 176.35 173.66 3a47 n GLU 562 N 6.90 1.40 -3.61 1.98 -0.58 0.04 -4.96 120.64 121.81 3a47 n GLU 562 Ca 0.15 -0.04 -0.16 0.00 -0.42 0.00 0.00 57.16 56.69 3a47 n GLU 562 Cb 0.44 -1.18 -0.07 0.00 -0.57 0.00 0.00 31.44 30.07 3a47 n GLU 562 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3a47 s PHE 563 N -2.36 -0.51 0.00 -0.32 5.36 -1.03 -5.01 117.98 114.12 3a47 s PHE 563 Ca -0.03 0.90 -0.29 0.00 -0.96 0.00 0.00 56.93 56.54 3a47 s PHE 563 Cb 0.04 0.30 0.11 0.00 -0.34 0.00 0.00 43.02 43.12 3a47 s PHE 563 CO 0.30 -0.52 1.26 0.20 -1.46 0.00 0.00 175.22 175.00 3a47 s GLY 564 N -1.11 -0.32 -0.00 13.12 0.00 -1.26 -0.14 107.32 117.61 3a47 s GLY 564 Ca -0.11 0.47 0.17 0.00 0.00 0.00 0.00 44.72 45.25 3a47 s GLY 564 CO 0.07 1.43 0.71 1.16 0.00 0.00 0.00 173.10 176.48 3a47 n ASN 565 N -0.65 0.82 -4.89 1.64 6.94 -1.04 -4.96 115.26 113.12 3a47 n ASN 565 Ca -0.06 -0.86 -0.29 0.00 -0.02 0.00 0.00 54.58 53.36 3a47 n ASN 565 Cb 0.62 1.04 0.01 0.00 -2.36 0.00 0.00 39.78 39.09 3a47 n ASN 565 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3a47 s TYR 566 N -2.65 3.55 0.05 -2.53 2.02 -1.26 -4.96 117.35 111.57 3a47 s TYR 566 Ca 0.06 0.99 -0.33 0.00 -0.37 0.00 0.00 57.07 57.41 3a47 s TYR 566 Cb 0.13 -2.54 -0.12 0.00 -0.40 0.00 0.00 41.96 39.02 3a47 s TYR 566 CO 0.70 -0.53 1.75 -2.30 -1.57 0.00 0.00 175.55 173.61 3a47 n PRO 567 N -2.51 2.30 -0.33 -1.71 -0.02 -1.26 -4.84 135.00 126.63 3a47 n PRO 567 Ca 0.03 0.84 0.15 0.00 -2.02 0.00 0.00 63.50 62.50 3a47 n PRO 567 Cb 0.55 -2.66 0.38 0.00 -0.02 0.00 0.00 33.50 31.74 3a47 n PRO 567 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3a47 h LYS 568 N 7.80 0.64 0.00 -0.52 1.57 -1.93 -0.59 116.57 123.54 3a47 h LYS 568 Ca -0.47 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3a47 h LYS 568 Cb 1.25 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3a47 h LYS 568 CO 0.92 0.42 -0.09 1.63 -0.57 0.00 0.00 179.45 181.76 3a47 n LYS 569 N -4.72 0.18 -0.13 3.15 5.02 -1.26 -3.66 118.16 116.74 3a47 n LYS 569 Ca 0.23 0.13 0.06 0.00 -2.02 0.00 0.00 58.31 56.71 3a47 n LYS 569 Cb 0.64 -1.69 0.13 0.00 -0.02 0.00 0.00 35.03 34.09 3a47 n LYS 569 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3a47 n GLU 570 N -1.99 2.27 -3.61 1.97 1.02 -0.26 -4.97 120.64 115.07 3a47 n GLU 570 Ca 0.06 -1.83 -0.36 0.00 -0.02 0.00 0.00 57.16 55.01 3a47 n GLU 570 Cb 0.40 -1.26 -0.08 0.00 -0.02 0.00 0.00 31.44 30.48 3a47 n GLU 570 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3a47 s VAL 571 N -0.98 5.34 -0.64 2.62 1.01 -1.04 -4.93 120.40 121.78 3a47 s VAL 571 Ca 0.21 0.35 -0.22 0.00 0.00 0.00 0.00 61.98 62.32 3a47 s VAL 571 Cb 0.11 -3.56 0.08 0.00 0.00 0.00 0.00 36.38 33.01 3a47 s VAL 571 CO 0.15 0.37 0.90 -0.62 0.00 0.00 0.00 175.10 175.91 3a47 s ASP 572 N 0.68 6.18 0.56 3.32 2.15 -1.26 -4.92 116.67 123.39 3a47 s ASP 572 Ca 0.12 -1.05 0.25 0.00 0.43 0.00 0.00 52.55 52.29 3a47 s ASP 572 Cb -0.13 -2.39 1.59 0.00 -0.30 0.00 0.00 42.92 41.69 3a47 s ASP 572 CO 0.03 -1.36 2.19 0.00 -0.17 0.00 0.00 175.17 175.86 3a47 h ALA 573 N 9.47 1.77 0.00 3.66 0.00 -1.97 -1.23 119.26 130.95 3a47 h ALA 573 Ca -0.29 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3a47 h ALA 573 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3a47 h ALA 573 CO 1.16 -0.07 0.00 -1.13 0.00 0.00 0.00 179.25 179.21 3a47 n SER 574 N -4.10 0.82 -4.76 0.00 3.41 -1.26 -4.85 113.62 102.87 3a47 n SER 574 Ca -0.02 0.59 -0.37 0.00 -0.26 0.00 0.00 58.87 58.82 3a47 n SER 574 Cb 0.14 -0.81 0.01 0.00 -0.26 0.00 0.00 64.21 63.30 3a47 n SER 574 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3a47 s SER 575 N -4.54 5.68 -0.17 4.04 1.04 -0.47 -4.95 113.70 114.33 3a47 s SER 575 Ca 0.10 2.37 0.14 0.00 0.48 0.00 0.00 55.95 59.03 3a47 s SER 575 Cb 0.12 -2.60 0.37 0.00 0.10 0.00 0.00 66.02 64.01 3a47 s SER 575 CO 0.57 -1.26 1.19 0.54 0.98 0.00 0.00 173.24 175.26 3a47 n ARG 576 N -1.03 1.37 -4.55 4.02 5.12 -1.26 -4.94 116.66 115.39 3a47 n ARG 576 Ca 0.10 -2.97 -0.25 0.00 -1.93 0.00 0.00 57.85 52.80 3a47 n ARG 576 Cb 0.49 -1.46 -0.17 0.00 -1.16 0.00 0.00 32.46 30.16 3a47 n ARG 576 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3a47 s THR 577 N -2.86 1.14 0.12 0.55 2.01 -1.26 -1.25 115.64 114.09 3a47 s THR 577 Ca 0.35 -0.47 -0.22 0.00 0.31 0.00 0.00 61.69 61.66 3a47 s THR 577 Cb 0.34 -1.04 -0.07 0.00 0.01 0.00 0.00 72.50 71.73 3a47 s THR 577 CO -0.05 0.36 0.67 -0.76 -0.69 0.00 0.00 174.62 174.15 3a47 s LEU 578 N 0.72 4.55 0.91 4.42 1.43 0.10 -4.90 118.68 125.91 3a47 s LEU 578 Ca -0.13 1.44 -0.12 0.00 -1.03 0.00 0.00 54.13 54.28 3a47 s LEU 578 Cb -0.16 -3.10 0.13 0.00 0.03 0.00 0.00 46.19 43.10 3a47 s LEU 578 CO 0.03 0.24 1.11 -0.54 0.23 0.00 0.00 176.35 177.42 3a47 s LYS 579 N -1.17 1.18 0.15 1.70 -0.14 -1.26 -1.59 119.74 118.61 3a47 s LYS 579 Ca 0.33 0.46 -0.34 0.00 -1.36 0.00 0.00 55.97 55.05 3a47 s LYS 579 Cb -0.21 -1.83 -0.15 0.00 -1.68 0.00 0.00 37.83 33.96 3a47 s LYS 579 CO 0.22 -2.20 1.49 -2.30 -0.76 0.00 0.00 175.35 171.80 3a47 n PRO 580 N -3.80 1.86 -1.32 -1.68 -0.02 -1.26 -1.19 135.00 127.60 3a47 n PRO 580 Ca 0.06 0.67 -0.11 0.00 -2.02 0.00 0.00 63.50 62.11 3a47 n PRO 580 Cb 0.58 -2.39 -0.05 0.00 -0.02 0.00 0.00 33.50 31.62 3a47 n PRO 580 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3a47 n TRP 581 N 3.03 0.00 -2.55 6.00 7.02 -0.21 -4.95 117.44 125.77 3a47 n TRP 581 Ca 0.17 0.00 -0.41 0.00 -1.02 0.00 0.00 57.50 56.24 3a47 n TRP 581 Cb 0.26 -2.78 -0.04 0.00 -2.42 0.00 0.00 31.31 26.33 3a47 n TRP 581 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3a47 s GLU 582 N -2.92 4.63 0.04 -0.99 2.12 -0.33 -4.59 118.70 116.65 3a47 s GLU 582 Ca 0.00 1.68 0.07 0.00 0.36 0.00 0.00 54.97 57.08 3a47 s GLU 582 Cb 0.00 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.09 3a47 s GLU 582 CO 0.00 0.13 -0.20 0.20 -0.54 0.00 0.00 175.26 174.86 3a47 s GLY 583 N -0.24 1.07 -0.01 -1.50 0.00 -1.26 -0.64 107.32 104.73 3a47 s GLY 583 Ca 0.48 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 44.19 3a47 s GLY 583 CO 0.35 -0.95 -0.03 0.50 0.00 0.00 0.00 173.10 172.97 3a47 s ARG 584 N -1.15 0.27 -0.21 2.90 0.52 -0.14 -2.48 118.95 118.66 3a47 s ARG 584 Ca 0.07 -0.09 -0.00 0.00 -0.52 0.00 0.00 55.73 55.18 3a47 s ARG 584 Cb -0.09 -0.28 0.02 0.00 0.52 0.00 0.00 34.95 35.12 3a47 s ARG 584 CO 0.02 0.04 -0.14 0.42 0.02 0.00 0.00 175.30 175.66 3a47 s ILE 585 N 0.06 2.48 -0.02 1.52 -1.09 0.80 -1.22 121.20 123.73 3a47 s ILE 585 Ca -0.00 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 57.50 3a47 s ILE 585 Cb -0.03 -2.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.68 3a47 s ILE 585 CO -0.00 0.42 0.08 -0.31 -1.23 0.00 0.00 174.94 173.89 3a47 s TYR 586 N 1.32 3.30 -0.05 3.97 1.51 0.63 -0.78 117.35 127.25 3a47 s TYR 586 Ca 0.03 0.23 0.03 0.00 -1.01 0.00 0.00 57.07 56.36 3a47 s TYR 586 Cb -0.14 -1.76 0.01 0.00 -0.11 0.00 0.00 41.96 39.95 3a47 s TYR 586 CO -0.09 0.56 -0.12 0.42 -1.11 0.00 0.00 175.55 175.20 3a47 s ILE 587 N -1.14 1.09 -0.08 2.71 1.01 0.03 -0.15 121.20 124.67 3a47 s ILE 587 Ca 0.21 -0.50 -0.00 0.00 0.00 0.00 0.00 60.65 60.36 3a47 s ILE 587 Cb -0.12 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.34 3a47 s ILE 587 CO 0.12 0.33 -0.05 -0.55 0.00 0.00 0.00 174.94 174.79 3a47 s SER 588 N 0.36 4.81 0.00 3.58 0.15 0.60 -1.73 113.70 121.47 3a47 s SER 588 Ca -0.08 0.01 0.09 0.00 0.70 0.00 0.00 55.95 56.68 3a47 s SER 588 Cb -0.12 -1.29 0.07 0.00 -1.71 0.00 0.00 66.02 62.97 3a47 s SER 588 CO 0.02 0.35 0.80 -0.62 1.20 0.00 0.00 173.24 174.99