#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ll1 n LEU 2 N 0.00 2.36 0.26 3.22 7.94 -1.26 -4.80 117.00 124.72 1ll1 n LEU 2 Ca 0.00 1.08 0.17 0.00 -1.11 0.00 0.00 56.01 56.15 1ll1 n LEU 2 Cb 0.00 -1.26 0.78 0.00 0.53 0.00 0.00 43.42 43.47 1ll1 n LEU 2 CO 0.00 -0.62 1.14 1.12 -1.11 0.00 0.00 177.39 177.92 1ll1 h HIS 3 N 5.97 0.00 -0.46 1.96 -0.00 -2.00 0.12 115.15 120.74 1ll1 h HIS 3 Ca -0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 59.84 1ll1 h HIS 3 Cb 1.30 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.70 1ll1 h HIS 3 CO 0.67 0.00 0.05 -0.44 -0.00 0.00 0.00 177.93 178.21 1ll1 h ASP 4 N 0.00 0.75 -0.60 3.10 3.32 -1.99 -1.97 116.42 119.03 1ll1 h ASP 4 Ca 0.06 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 1ll1 h ASP 4 Cb 0.81 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 1ll1 h ASP 4 CO -0.00 0.83 0.22 0.11 -1.72 0.00 0.00 179.24 178.68 1ll1 h LYS 5 N 0.63 0.91 -0.77 3.56 1.57 -1.11 -2.60 116.57 118.76 1ll1 h LYS 5 Ca 0.14 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1ll1 h LYS 5 Cb 0.42 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 1ll1 h LYS 5 CO 0.01 0.79 0.26 0.37 -0.57 0.00 0.00 179.45 180.31 1ll1 h GLN 6 N 0.83 1.18 -0.47 3.15 5.75 -1.37 -2.36 115.11 121.82 1ll1 h GLN 6 Ca 0.20 -0.24 -0.12 0.00 -0.15 0.00 0.00 58.65 58.33 1ll1 h GLN 6 Cb 0.24 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.60 1ll1 h GLN 6 CO -0.01 0.99 -0.19 0.82 -2.65 0.00 0.00 178.83 177.79 1ll1 h ILE 7 N 1.14 1.27 -0.20 2.39 2.04 -1.26 -1.75 117.51 121.14 1ll1 h ILE 7 Ca 0.25 -1.33 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 1ll1 h ILE 7 Cb 0.29 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1ll1 h ILE 7 CO -0.01 0.46 -0.23 0.03 0.00 0.00 0.00 178.15 178.39 1ll1 h ARG 8 N 0.81 0.36 -0.22 2.37 3.08 -1.31 -2.26 114.38 117.22 1ll1 h ARG 8 Ca 0.11 -0.12 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1ll1 h ARG 8 Cb 0.74 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1ll1 h ARG 8 CO 0.06 0.58 -0.63 0.28 -1.07 0.00 0.00 179.97 179.19 1ll1 h VAL 9 N 0.33 1.29 -0.36 2.04 2.07 -1.27 -3.02 116.25 117.33 1ll1 h VAL 9 Ca 0.05 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.73 1ll1 h VAL 9 Cb 0.60 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1ll1 h VAL 9 CO 0.04 0.59 0.22 0.00 0.02 0.00 0.00 177.57 178.44 1ll1 h HIS 11 N 0.49 0.46 -0.31 0.00 -0.00 -1.30 -2.48 115.15 112.01 1ll1 h HIS 11 Ca 0.13 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.42 1ll1 h HIS 11 Cb -0.03 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.24 1ll1 h HIS 11 CO 0.00 0.55 0.13 -0.07 -0.00 0.00 0.00 177.93 178.54 1ll1 h LEU 12 N 0.40 0.38 -2.72 2.43 3.38 -1.25 -2.41 115.31 115.52 1ll1 h LEU 12 Ca 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ll1 h LEU 12 Cb 0.47 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ll1 h LEU 12 CO 0.03 0.34 0.00 0.49 0.09 0.00 0.00 178.44 179.39 1ll1 n PHE 13 N -4.42 1.12 -2.95 1.13 3.72 -0.96 -4.86 117.46 110.24 1ll1 n PHE 13 Ca 0.01 -0.51 -0.41 0.00 -0.05 0.00 0.00 57.45 56.50 1ll1 n PHE 13 Cb 0.13 -0.09 -0.05 0.00 -0.94 0.00 0.00 39.48 38.53 1ll1 n PHE 13 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1ll1 s GLU 14 N -1.36 4.27 -1.32 -1.08 0.41 -0.91 -4.28 118.70 114.43 1ll1 s GLU 14 Ca 0.48 0.91 -0.07 0.00 -0.41 0.00 0.00 54.97 55.87 1ll1 s GLU 14 Cb 0.27 -3.58 -0.00 0.00 -1.78 0.00 0.00 34.13 29.04 1ll1 s GLU 14 CO 0.29 -0.31 0.54 1.04 -0.49 0.00 0.00 175.26 176.33 1ll1 n GLN 15 N 5.19 -2.71 -0.11 1.61 1.13 -0.16 -4.88 117.38 117.44 1ll1 n GLN 15 Ca 0.03 0.41 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 1ll1 n GLN 15 Cb 0.49 -4.37 0.27 0.00 0.11 0.00 0.00 30.24 26.74 1ll1 n GLN 15 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1ll1 h LEU 16 N -1.89 0.70 -1.53 1.08 3.38 -1.79 -2.93 115.31 112.33 1ll1 h LEU 16 Ca -0.64 -0.07 0.16 0.00 0.09 0.00 0.00 57.88 57.42 1ll1 h LEU 16 Cb 1.37 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1ll1 h LEU 16 CO 0.58 0.60 0.53 0.28 0.09 0.00 0.00 178.44 180.52 1ll1 h SER 17 N 0.78 0.43 -3.66 -0.43 0.02 -1.87 -3.36 113.55 105.46 1ll1 h SER 17 Ca 0.19 0.03 -0.68 0.00 -0.84 0.00 0.00 61.79 60.49 1ll1 h SER 17 Cb 0.09 -0.06 -0.37 0.00 0.14 0.00 0.00 62.40 62.20 1ll1 h SER 17 CO -0.03 0.21 -0.60 -0.94 -1.14 0.00 0.00 176.83 174.34 1ll1 s SER 18 N -5.86 5.03 0.07 3.07 1.04 -1.11 -4.70 113.70 111.24 1ll1 s SER 18 Ca -0.08 -2.20 0.00 0.00 0.48 0.00 0.00 55.95 54.15 1ll1 s SER 18 Cb 0.21 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.58 1ll1 s SER 18 CO 0.77 -0.46 0.00 0.00 0.98 0.00 0.00 173.24 174.54 1ll1 n ALA 19 N 4.30 0.00 -2.15 5.32 0.00 -1.26 -4.97 120.51 121.75 1ll1 n ALA 19 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.21 1ll1 n ALA 19 Cb 0.41 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.88 1ll1 n ALA 19 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ll1 s THR 20 N -1.32 3.55 0.00 0.00 -4.23 -1.24 -4.85 115.64 107.55 1ll1 s THR 20 Ca 0.00 -0.29 0.00 0.00 -1.18 0.00 0.00 61.69 60.22 1ll1 s THR 20 Cb 0.00 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1ll1 s THR 20 CO 0.00 -0.32 0.00 0.55 -0.54 0.00 0.00 174.62 174.31 1ll1 n VAL 21 N -2.39 0.00 0.30 2.29 3.14 -1.26 -4.80 118.33 115.60 1ll1 n VAL 21 Ca 0.04 0.00 0.17 0.00 -2.96 0.00 0.00 64.34 61.59 1ll1 n VAL 21 Cb 0.58 0.00 0.74 0.00 -1.06 0.00 0.00 33.84 34.10 1ll1 n VAL 21 CO 0.00 0.00 0.00 -0.29 -6.46 0.00 0.00 176.83 170.08 1ll1 h ILE 22 N 0.00 0.00 -0.22 1.55 -0.00 -2.06 -2.86 117.51 113.92 1ll1 h ILE 22 Ca 0.00 -0.40 -0.17 0.00 -0.00 0.00 0.00 64.86 64.30 1ll1 h ILE 22 Cb 0.00 1.35 -0.00 0.00 -0.00 0.00 0.00 36.82 38.17 1ll1 h ILE 22 CO 0.00 0.00 -0.54 0.03 -0.00 0.00 0.00 178.15 177.64 1ll1 h ARG 33 N 0.00 0.65 -1.35 2.19 3.08 -2.04 -3.31 114.38 113.60 1ll1 h ARG 33 Ca 0.00 -0.41 -0.48 0.00 0.07 0.00 0.00 59.98 59.16 1ll1 h ARG 33 Cb 0.41 0.05 -0.20 0.00 0.08 0.00 0.00 29.97 30.31 1ll1 h ARG 33 CO 0.00 1.03 0.61 1.28 -1.07 0.00 0.00 179.97 181.82 1ll1 n LEU 34 N -3.97 6.99 0.12 3.04 4.77 -1.08 -4.63 117.00 122.23 1ll1 n LEU 34 Ca -0.03 -3.76 -0.22 0.00 -0.03 0.00 0.00 56.01 51.97 1ll1 n LEU 34 Cb 0.61 -1.04 -0.14 0.00 -2.33 0.00 0.00 43.42 40.52 1ll1 n LEU 34 CO 0.48 1.36 -0.13 0.07 -1.33 0.00 0.00 177.39 177.84 1ll1 h LYS 35 N 1.78 0.52 -0.64 3.23 2.10 -1.72 -3.31 116.57 118.53 1ll1 h LYS 35 Ca 0.43 -0.80 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1ll1 h LYS 35 Cb 0.84 0.29 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1ll1 h LYS 35 CO 1.11 1.37 0.00 0.27 -2.00 0.00 0.00 179.45 180.20 1ll1 n ASN 36 N -3.71 4.24 -4.33 7.07 0.23 -1.26 -4.87 115.26 112.62 1ll1 n ASN 36 Ca -0.14 -2.49 -0.27 0.00 -0.53 0.00 0.00 54.58 51.15 1ll1 n ASN 36 Cb 1.04 -0.56 -0.13 0.00 -2.08 0.00 0.00 39.78 38.05 1ll1 n ASN 36 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1ll1 s VAL 37 N -2.00 1.99 0.00 3.53 -7.23 -1.25 -4.82 120.40 110.62 1ll1 s VAL 37 Ca 0.42 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1ll1 s VAL 37 Cb 0.29 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.46 1ll1 s VAL 37 CO 0.17 0.07 0.00 0.61 -0.31 0.00 0.00 175.10 175.65 1ll1 n GLY 38 N 1.14 1.02 0.10 2.32 0.00 -1.26 -4.99 105.19 103.53 1ll1 n GLY 38 Ca -0.18 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1ll1 n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ll1 n LYS 39 N -0.03 0.78 -2.62 1.61 5.02 -1.26 -4.84 118.16 116.83 1ll1 n LYS 39 Ca 0.00 0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.94 1ll1 n LYS 39 Cb 0.00 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.53 1ll1 n LYS 39 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1ll1 s LEU 40 N -5.91 3.57 0.32 -0.35 2.96 -1.26 -4.99 118.68 113.01 1ll1 s LEU 40 Ca -0.22 0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.51 1ll1 s LEU 40 Cb 0.07 -3.18 -0.13 0.00 0.50 0.00 0.00 46.19 43.45 1ll1 s LEU 40 CO 0.61 -1.41 1.31 0.00 -1.32 0.00 0.00 176.35 175.54 1ll1 n GLN 41 N 8.21 2.09 -1.64 1.98 3.00 -1.26 -3.57 117.38 126.18 1ll1 n GLN 41 Ca 0.08 0.73 -0.37 0.00 -0.01 0.00 0.00 57.00 57.44 1ll1 n GLN 41 Cb 0.49 -2.33 0.08 0.00 0.00 0.00 0.00 30.24 28.48 1ll1 n GLN 41 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 1ll1 n PRO 42 N 0.92 0.99 0.00 -1.09 -0.02 -1.26 -3.13 135.00 131.40 1ll1 n PRO 42 Ca 0.06 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1ll1 n PRO 42 Cb 0.35 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1ll1 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ll1 n GLY 43 N 0.88 3.05 3.78 -1.23 0.00 -1.26 -5.03 105.19 105.38 1ll1 n GLY 43 Ca 0.16 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1ll1 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ll1 s ALA 44 N -2.07 3.06 0.15 4.61 0.00 -1.18 -4.61 121.76 121.72 1ll1 s ALA 44 Ca 0.00 0.78 -0.31 0.00 0.00 0.00 0.00 51.96 52.43 1ll1 s ALA 44 Cb 0.00 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.72 1ll1 s ALA 44 CO 0.00 -0.36 1.49 0.42 0.00 0.00 0.00 175.76 177.31 1ll1 s ILE 45 N -1.61 2.88 -0.02 0.00 -1.09 -1.26 -4.84 121.20 115.27 1ll1 s ILE 45 Ca 0.59 0.64 -0.23 0.00 -2.23 0.00 0.00 60.65 59.43 1ll1 s ILE 45 Cb -0.24 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1ll1 s ILE 45 CO 0.30 0.05 0.69 0.12 -1.23 0.00 0.00 174.94 174.88 1ll1 s PHE 46 N 1.02 3.65 -0.23 3.97 5.36 -1.26 -4.95 117.98 125.54 1ll1 s PHE 46 Ca 0.67 1.30 -0.10 0.00 -0.96 0.00 0.00 56.93 57.84 1ll1 s PHE 46 Cb -0.41 -2.75 -0.05 0.00 -0.34 0.00 0.00 43.02 39.47 1ll1 s PHE 46 CO 0.32 0.21 0.14 0.45 -1.46 0.00 0.00 175.22 174.89 1ll1 s SER 47 N 0.28 6.03 0.00 6.13 0.15 -1.26 -4.49 113.70 120.53 1ll1 s SER 47 Ca 0.36 0.10 0.13 0.00 0.70 0.00 0.00 55.95 57.24 1ll1 s SER 47 Cb -0.19 -2.08 0.39 0.00 -1.71 0.00 0.00 66.02 62.43 1ll1 s SER 47 CO 0.19 0.08 1.31 0.00 1.20 0.00 0.00 173.24 176.03 1ll1 n PHE 49 N 0.58 0.00 -2.38 0.00 3.72 -1.26 -4.96 117.46 113.16 1ll1 n PHE 49 Ca 0.13 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.11 1ll1 n PHE 49 Cb 0.32 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.83 1ll1 n PHE 49 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1ll1 s HIS 50 N -1.51 3.20 0.28 1.38 2.46 -1.26 -4.77 115.29 115.08 1ll1 s HIS 50 Ca 0.00 1.14 0.01 0.00 0.47 0.00 0.00 55.06 56.68 1ll1 s HIS 50 Cb 0.00 -3.49 0.65 0.00 -0.13 0.00 0.00 32.58 29.61 1ll1 s HIS 50 CO 0.00 -1.61 1.68 -1.35 -2.47 0.00 0.00 174.74 170.99 1ll1 h PRO 51 N 7.28 0.32 0.00 2.88 0.11 -1.96 -1.48 132.00 139.15 1ll1 h PRO 51 Ca -0.38 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.63 1ll1 h PRO 51 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1ll1 h PRO 51 CO 0.86 0.21 -0.39 -0.44 -0.21 0.00 0.00 178.00 178.03 1ll1 h ASP 52 N 0.33 0.00 0.07 -2.05 3.32 -1.96 -1.24 116.42 114.88 1ll1 h ASP 52 Ca 0.52 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.37 1ll1 h ASP 52 Cb 0.97 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.54 1ll1 h ASP 52 CO -0.55 0.39 -0.80 0.45 -1.72 0.00 0.00 179.24 177.01 1ll1 h HIS 53 N 0.00 0.68 0.00 4.55 3.86 -1.57 -3.18 115.15 119.49 1ll1 h HIS 53 Ca -0.00 -0.42 -0.04 0.00 -1.16 0.00 0.00 60.37 58.75 1ll1 h HIS 53 Cb 0.76 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1ll1 h HIS 53 CO 0.00 1.27 -0.19 -0.07 0.86 0.00 0.00 177.93 179.80 1ll1 h LEU 54 N -0.10 0.00 0.25 2.43 3.38 -1.33 -1.25 115.31 118.69 1ll1 h LEU 54 Ca -0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1ll1 h LEU 54 Cb 1.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.29 1ll1 h LEU 54 CO 0.15 0.19 -0.12 -0.33 0.09 0.00 0.00 178.44 178.42 1ll1 h GLU 55 N 0.00 -0.32 -0.47 1.13 4.39 -1.24 0.40 114.58 118.47 1ll1 h GLU 55 Ca -0.00 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 1ll1 h GLU 55 Cb 0.47 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1ll1 h GLU 55 CO 0.02 -0.07 -0.07 1.49 -1.16 0.00 0.00 179.01 179.23 1ll1 h GLU 56 N -0.55 0.81 -0.59 2.33 4.81 -1.49 -1.93 114.58 117.97 1ll1 h GLU 56 Ca -0.03 -0.25 -0.06 0.00 -0.13 0.00 0.00 59.36 58.89 1ll1 h GLU 56 Cb 0.41 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1ll1 h GLU 56 CO 0.06 0.86 0.14 0.00 -0.73 0.00 0.00 179.01 179.34 1ll1 h ALA 57 N 1.18 1.14 0.26 2.92 0.00 -1.12 -1.90 119.26 121.73 1ll1 h ALA 57 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1ll1 h ALA 57 Cb 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ll1 h ALA 57 CO 0.03 0.58 -0.13 -0.09 0.00 0.00 0.00 179.25 179.65 1ll1 h ARG 58 N 0.88 -0.34 -0.77 0.00 2.43 -0.56 -1.86 114.38 114.17 1ll1 h ARG 58 Ca 0.19 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.54 1ll1 h ARG 58 Cb 0.32 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.84 1ll1 h ARG 58 CO -0.00 -0.06 0.28 0.45 -1.51 0.00 0.00 179.97 179.13 1ll1 h HIS 59 N -0.61 0.46 -0.29 2.20 3.86 -1.23 -0.14 115.15 119.39 1ll1 h HIS 59 Ca -0.04 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1ll1 h HIS 59 Cb 0.44 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1ll1 h HIS 59 CO 0.01 0.00 0.09 1.25 0.86 0.00 0.00 177.93 180.14 1ll1 h LEU 60 N 0.39 0.43 -0.51 2.43 5.85 -1.20 -1.20 115.31 121.49 1ll1 h LEU 60 Ca 0.43 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1ll1 h LEU 60 Cb 0.71 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1ll1 h LEU 60 CO -0.45 0.52 0.00 0.00 -0.34 0.00 0.00 178.44 178.17 1ll1 n TYR 61 N -4.70 0.81 0.13 1.25 0.18 -0.71 -1.51 117.16 112.61 1ll1 n TYR 61 Ca -0.02 0.30 -0.22 0.00 1.88 0.00 0.00 57.90 59.83 1ll1 n TYR 61 Cb 0.17 -0.98 -0.15 0.00 -0.38 0.00 0.00 39.34 38.00 1ll1 n TYR 61 CO 0.00 0.00 0.00 0.93 -2.08 0.00 0.00 176.86 175.71 1ll1 h GLU 62 N 0.00 0.50 -0.39 -3.48 5.08 -0.57 -0.36 114.58 115.36 1ll1 h GLU 62 Ca 0.00 -0.81 -0.01 0.00 -1.00 0.00 0.00 59.36 57.54 1ll1 h GLU 62 Cb 0.45 0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1ll1 h GLU 62 CO 0.00 1.38 0.21 0.28 -1.00 0.00 0.00 179.01 179.89 1ll1 h VAL 63 N 0.15 1.15 -0.45 3.13 2.07 -0.72 -0.51 116.25 121.07 1ll1 h VAL 63 Ca -0.22 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 1ll1 h VAL 63 Cb 2.09 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1ll1 h VAL 63 CO 0.26 0.15 0.03 -0.26 0.02 0.00 0.00 177.57 177.77 1ll1 h PHE 64 N 0.50 0.75 -0.25 1.57 0.04 -1.27 -3.04 116.94 115.24 1ll1 h PHE 64 Ca 0.14 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1ll1 h PHE 64 Cb 0.05 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.98 1ll1 h PHE 64 CO -0.03 0.69 0.05 2.35 -0.60 0.00 0.00 178.31 180.78 1ll1 h TRP 65 N 0.68 0.43 0.00 -0.55 2.91 -0.35 -3.02 115.95 116.06 1ll1 h TRP 65 Ca 0.14 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.11 1ll1 h TRP 65 Cb 0.38 -0.12 0.00 0.00 -0.51 0.00 0.00 29.16 28.91 1ll1 h TRP 65 CO 0.02 0.51 0.00 0.39 -1.03 0.00 0.00 178.44 178.33 1ll1 n GLU 66 N -4.70 0.78 -1.69 2.65 1.02 -0.26 -4.85 120.64 113.59 1ll1 n GLU 66 Ca -0.03 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 1ll1 n GLU 66 Cb 0.19 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1ll1 n GLU 66 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ll1 n ALA 67 N -1.02 1.95 -0.29 0.62 0.00 -1.14 -4.87 120.51 115.76 1ll1 n ALA 67 Ca 0.19 0.32 0.08 0.00 0.00 0.00 0.00 53.44 54.04 1ll1 n ALA 67 Cb 0.09 -2.56 0.21 0.00 0.00 0.00 0.00 19.45 17.19 1ll1 n ALA 67 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ll1 h GLY 68 N 8.37 1.00 -1.60 0.00 0.00 -1.91 -3.45 103.07 105.47 1ll1 h GLY 68 Ca -0.46 0.12 -0.15 0.00 0.00 0.00 0.00 47.33 46.83 1ll1 h GLY 68 CO 0.94 -0.36 -0.02 0.51 0.00 0.00 0.00 176.54 177.61 1ll1 s ASP 69 N -5.14 0.43 0.27 0.19 -4.77 -1.26 -5.02 116.67 101.37 1ll1 s ASP 69 Ca -0.13 -1.26 0.00 0.00 -3.30 0.00 0.00 52.55 47.86 1ll1 s ASP 69 Cb 0.25 0.71 0.57 0.00 -1.09 0.00 0.00 42.92 43.36 1ll1 s ASP 69 CO 0.76 -1.40 1.76 0.15 0.70 0.00 0.00 175.17 177.15 1ll1 h PHE 70 N 2.09 0.81 -0.61 2.11 3.57 -1.94 0.17 116.94 123.14 1ll1 h PHE 70 Ca -0.29 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.17 1ll1 h PHE 70 Cb 1.25 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1ll1 h PHE 70 CO 1.24 0.18 0.06 -0.91 -2.23 0.00 0.00 178.31 176.66 1ll1 h ASN 71 N 0.64 0.97 0.73 0.41 2.35 -1.98 -1.02 115.58 117.68 1ll1 h ASN 71 Ca 0.49 -0.24 -0.14 0.00 -0.55 0.00 0.00 56.30 55.86 1ll1 h ASN 71 Cb 0.71 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1ll1 h ASN 71 CO -0.37 0.99 -0.68 -0.78 -1.65 0.00 0.00 177.43 174.94 1ll1 h ASP 72 N 0.94 0.00 0.05 5.81 3.58 -1.68 -2.33 116.42 122.80 1ll1 h ASP 72 Ca 0.18 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.63 1ll1 h ASP 72 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 1ll1 h ASP 72 CO 0.02 0.68 -0.03 0.15 -2.88 0.00 0.00 179.24 177.18 1ll1 h PHE 73 N 0.00 -0.07 -0.15 0.28 3.57 -0.20 -1.59 116.94 118.78 1ll1 h PHE 73 Ca -0.01 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 1ll1 h PHE 73 Cb 1.22 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1ll1 h PHE 73 CO 0.00 0.24 -0.29 0.82 -2.23 0.00 0.00 178.31 176.86 1ll1 h ILE 74 N -0.38 1.26 -0.13 1.41 1.08 -1.23 -1.64 117.51 117.88 1ll1 h ILE 74 Ca -0.01 -1.24 -0.04 0.00 -0.39 0.00 0.00 64.86 63.19 1ll1 h ILE 74 Cb 0.34 1.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.55 1ll1 h ILE 74 CO 0.01 0.38 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.47 1ll1 h GLU 75 N 0.26 0.27 -0.12 2.37 3.07 -1.34 -0.92 114.58 118.17 1ll1 h GLU 75 Ca 0.04 -0.11 -0.12 0.00 -0.50 0.00 0.00 59.36 58.67 1ll1 h GLU 75 Cb 0.65 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 1ll1 h GLU 75 CO 0.05 0.59 -0.44 0.97 -1.40 0.00 0.00 179.01 178.78 1ll1 h ILE 76 N -0.06 1.32 -0.38 3.13 6.09 -1.24 -2.67 117.51 123.69 1ll1 h ILE 76 Ca 0.03 -1.60 -0.08 0.00 -1.37 0.00 0.00 64.86 61.84 1ll1 h ILE 76 Cb 0.51 1.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.50 1ll1 h ILE 76 CO 0.02 0.48 -0.08 0.00 -3.07 0.00 0.00 178.15 175.50 1ll1 h ALA 77 N 1.30 0.52 -0.89 0.18 0.00 -1.23 -1.18 119.26 117.96 1ll1 h ALA 77 Ca 0.02 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1ll1 h ALA 77 Cb 0.88 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1ll1 h ALA 77 CO 0.07 0.36 0.58 0.87 0.00 0.00 0.00 179.25 181.13 1ll1 h LYS 78 N 0.52 1.04 -0.14 0.00 1.79 -1.01 -1.71 116.57 117.05 1ll1 h LYS 78 Ca 0.10 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.33 1ll1 h LYS 78 Cb 0.58 -0.23 0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1ll1 h LYS 78 CO 0.03 0.69 -0.59 1.49 -1.08 0.00 0.00 179.45 179.99 1ll1 h GLU 79 N 1.07 0.65 -0.85 3.15 4.81 -1.22 -3.31 114.58 118.87 1ll1 h GLU 79 Ca 0.37 -0.51 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1ll1 h GLU 79 Cb 0.10 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1ll1 h GLU 79 CO -0.12 1.13 0.41 0.00 -0.73 0.00 0.00 179.01 179.69 1ll1 h ALA 80 N 0.53 1.11 0.00 2.92 0.00 -0.71 -2.82 119.26 120.28 1ll1 h ALA 80 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ll1 h ALA 80 Cb 1.22 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1ll1 h ALA 80 CO 0.12 0.67 0.00 2.89 0.00 0.00 0.00 179.25 182.93 1ll1 n ARG 81 N -4.30 0.13 0.05 0.00 1.85 -0.69 -1.31 116.66 112.39 1ll1 n ARG 81 Ca 0.08 0.45 0.13 0.00 -1.00 0.00 0.00 57.85 57.52 1ll1 n ARG 81 Cb 0.14 -1.79 0.50 0.00 -1.05 0.00 0.00 32.46 30.26 1ll1 n ARG 81 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1ll1 n THR 82 N -2.04 0.29 0.00 8.89 -2.24 -1.07 -3.70 114.28 114.42 1ll1 n THR 82 Ca 0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1ll1 n THR 82 Cb 0.15 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 1ll1 n THR 82 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1ll1 n PHE 83 N -1.87 0.00 -2.92 4.78 -1.74 -1.03 -3.94 117.46 110.75 1ll1 n PHE 83 Ca 0.06 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.64 1ll1 n PHE 83 Cb 0.38 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.34 1ll1 n PHE 83 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 1ll1 s VAL 84 N -0.04 4.68 0.24 1.97 1.01 -0.43 -4.68 120.40 123.17 1ll1 s VAL 84 Ca 0.00 0.89 -0.31 0.00 0.00 0.00 0.00 61.98 62.55 1ll1 s VAL 84 Cb 0.00 -3.67 -0.13 0.00 0.00 0.00 0.00 36.38 32.58 1ll1 s VAL 84 CO 0.00 -0.39 1.43 -3.20 0.00 0.00 0.00 175.10 172.95 1ll1 n ASN 85 N -0.90 2.89 0.19 3.32 2.85 -1.23 -4.76 115.26 117.61 1ll1 n ASN 85 Ca 0.04 1.14 0.04 0.00 -0.11 0.00 0.00 54.58 55.69 1ll1 n ASN 85 Cb 0.54 -1.45 0.45 0.00 1.24 0.00 0.00 39.78 40.56 1ll1 n ASN 85 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1ll1 h GLU 86 N 4.31 0.08 -0.10 1.20 9.09 -1.91 -1.29 114.58 125.96 1ll1 h GLU 86 Ca -0.45 -0.02 -0.15 0.00 0.05 0.00 0.00 59.36 58.79 1ll1 h GLU 86 Cb 1.27 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 28.37 1ll1 h GLU 86 CO 0.76 0.26 -0.53 0.78 0.05 0.00 0.00 179.01 180.33 1ll1 h GLY 87 N 0.65 0.59 1.62 1.06 0.00 -1.90 -2.12 103.07 102.98 1ll1 h GLY 87 Ca 0.01 -0.84 -0.04 0.00 0.00 0.00 0.00 47.33 46.46 1ll1 h GLY 87 CO 0.02 0.75 0.03 -2.00 0.00 0.00 0.00 176.54 175.34 1ll1 h LEU 88 N 0.14 0.44 0.12 3.11 6.46 -1.90 -2.01 115.31 121.66 1ll1 h LEU 88 Ca -0.04 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 1ll1 h LEU 88 Cb 1.18 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.99 1ll1 h LEU 88 CO 0.11 0.49 -0.06 0.15 -0.62 0.00 0.00 178.44 178.51 1ll1 h PHE 89 N 0.47 -0.15 -0.92 1.25 3.57 -1.14 -1.00 116.94 119.01 1ll1 h PHE 89 Ca 0.11 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.74 1ll1 h PHE 89 Cb 0.26 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 1ll1 h PHE 89 CO 0.01 0.26 0.59 0.00 -2.23 0.00 0.00 178.31 176.94 1ll1 h ALA 90 N 0.20 1.74 0.66 2.41 0.00 -1.19 0.22 119.26 123.30 1ll1 h ALA 90 Ca -0.02 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1ll1 h ALA 90 Cb 0.47 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ll1 h ALA 90 CO 0.03 0.01 -0.32 0.35 0.00 0.00 0.00 179.25 179.32 1ll1 h PHE 91 N 0.78 -0.82 -0.61 0.00 3.04 -1.31 -1.58 116.94 116.44 1ll1 h PHE 91 Ca 0.47 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.43 1ll1 h PHE 91 Cb 0.66 0.27 -0.03 0.00 2.56 0.00 0.00 35.95 39.41 1ll1 h PHE 91 CO -0.00 -0.47 0.41 0.00 -2.02 0.00 0.00 178.31 176.22 1ll1 h ALA 92 N -0.95 1.69 -0.03 2.41 0.00 -0.55 -2.61 119.26 119.22 1ll1 h ALA 92 Ca -0.09 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 1ll1 h ALA 92 Cb 0.72 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ll1 h ALA 92 CO 0.15 0.24 -0.96 0.00 0.00 0.00 0.00 179.25 178.68 1ll1 h ALA 93 N 1.65 0.25 -0.40 0.00 0.00 -0.58 -2.75 119.26 117.43 1ll1 h ALA 93 Ca 0.25 -0.68 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 1ll1 h ALA 93 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1ll1 h ALA 93 CO -0.07 0.73 -0.13 1.49 0.00 0.00 0.00 179.25 181.27 1ll1 h GLU 94 N 0.36 0.72 -0.68 0.00 4.81 -1.02 -1.56 114.58 117.23 1ll1 h GLU 94 Ca -0.10 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 58.82 1ll1 h GLU 94 Cb 1.60 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.89 1ll1 h GLU 94 CO 0.18 0.83 0.18 0.28 -0.73 0.00 0.00 179.01 179.74 1ll1 h VAL 95 N 0.65 1.26 -0.24 0.32 2.07 -1.49 -2.12 116.25 116.69 1ll1 h VAL 95 Ca 0.11 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1ll1 h VAL 95 Cb 0.60 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1ll1 h VAL 95 CO 0.04 0.36 0.09 0.00 0.02 0.00 0.00 177.57 178.07 1ll1 h ALA 96 N 1.08 0.32 -0.68 1.67 0.00 -1.17 -2.55 119.26 117.92 1ll1 h ALA 96 Ca 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ll1 h ALA 96 Cb 0.35 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1ll1 h ALA 96 CO 0.00 -0.07 0.35 0.28 0.00 0.00 0.00 179.25 179.81 1ll1 h VAL 97 N 0.23 1.22 0.00 0.00 2.07 -1.14 -0.26 116.25 118.38 1ll1 h VAL 97 Ca 0.08 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1ll1 h VAL 97 Cb 0.21 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1ll1 h VAL 97 CO -0.00 0.25 -0.31 -0.07 0.02 0.00 0.00 177.57 177.46 1ll1 h LEU 98 N 0.95 0.00 0.00 2.57 3.38 -1.33 -3.34 115.31 117.54 1ll1 h LEU 98 Ca 0.24 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1ll1 h LEU 98 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ll1 h LEU 98 CO -0.03 0.31 -1.73 1.41 0.09 0.00 0.00 178.44 178.49 1ll1 n HIS 99 N -3.76 0.00 -2.36 1.13 8.25 -0.97 -4.98 115.22 112.52 1ll1 n HIS 99 Ca -0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 1ll1 n HIS 99 Cb 0.40 -0.39 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 1ll1 n HIS 99 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ll1 s ARG 100 N -2.96 4.31 0.20 -0.41 0.52 -0.13 -4.95 118.95 115.53 1ll1 s ARG 100 Ca -0.06 1.84 -0.02 0.00 -0.52 0.00 0.00 55.73 56.97 1ll1 s ARG 100 Cb 0.09 -2.88 0.15 0.00 0.52 0.00 0.00 34.95 32.83 1ll1 s ARG 100 CO 0.62 -0.10 1.53 -0.44 0.02 0.00 0.00 175.30 176.94 1ll1 h ASP 101 N 3.12 0.58 0.67 0.23 3.32 -1.91 -2.93 116.42 119.49 1ll1 h ASP 101 Ca -0.48 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.27 1ll1 h ASP 101 Cb 1.22 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1ll1 h ASP 101 CO 0.64 0.99 0.00 -0.90 -1.72 0.00 0.00 179.24 178.25 1ll1 n ASP 102 N -3.97 0.69 -1.01 6.45 5.68 -1.26 -2.05 116.55 121.08 1ll1 n ASP 102 Ca -0.03 0.68 0.12 0.00 -0.50 0.00 0.00 54.79 55.07 1ll1 n ASP 102 Cb 0.58 -0.82 0.14 0.00 -1.14 0.00 0.00 41.12 39.87 1ll1 n ASP 102 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ll1 n LYS 104 N 1.38 2.57 0.00 0.00 5.02 -0.87 -0.65 118.16 125.61 1ll1 n LYS 104 Ca 0.16 0.93 0.00 0.00 -2.02 0.00 0.00 58.31 57.37 1ll1 n LYS 104 Cb 0.60 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.84 1ll1 n LYS 104 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ll1 n GLY 105 N 3.91 3.21 3.74 0.72 0.00 -1.26 -4.20 105.19 111.31 1ll1 n GLY 105 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1ll1 n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ll1 s LEU 106 N 0.00 4.44 0.65 0.99 1.43 0.18 -3.45 118.68 122.92 1ll1 s LEU 106 Ca 0.00 1.42 -0.03 0.00 -1.03 0.00 0.00 54.13 54.49 1ll1 s LEU 106 Cb 0.00 -3.21 0.06 0.00 0.03 0.00 0.00 46.19 43.07 1ll1 s LEU 106 CO 0.00 0.01 0.92 -0.31 0.23 0.00 0.00 176.35 177.20 1ll1 s TYR 107 N 0.00 2.76 -0.07 0.29 1.51 -1.26 -4.84 117.35 115.74 1ll1 s TYR 107 Ca 0.38 0.20 0.05 0.00 -1.01 0.00 0.00 57.07 56.70 1ll1 s TYR 107 Cb -0.20 -3.03 -0.01 0.00 -0.11 0.00 0.00 41.96 38.62 1ll1 s TYR 107 CO 0.22 -1.25 -0.24 0.08 -1.11 0.00 0.00 175.55 173.26 1ll1 s VAL 108 N -3.06 2.00 0.49 0.71 1.01 -1.26 -4.96 120.40 115.33 1ll1 s VAL 108 Ca 0.60 -1.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 1ll1 s VAL 108 Cb -0.10 -1.71 -0.08 0.00 0.00 0.00 0.00 36.38 34.50 1ll1 s VAL 108 CO 0.42 0.55 1.21 -0.81 0.00 0.00 0.00 175.10 176.47 1ll1 n PRO 109 N 3.16 1.61 -1.62 2.72 -0.04 -1.26 -4.85 135.00 134.71 1ll1 n PRO 109 Ca -0.18 0.58 -0.49 0.00 -0.04 0.00 0.00 63.50 63.37 1ll1 n PRO 109 Cb 0.52 -2.36 -0.05 0.00 -0.04 0.00 0.00 33.50 31.58 1ll1 n PRO 109 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1ll1 n PRO 110 N -0.42 1.58 0.24 0.54 -0.02 -1.26 -4.87 135.00 130.79 1ll1 n PRO 110 Ca 0.09 0.57 0.07 0.00 -2.02 0.00 0.00 63.50 62.21 1ll1 n PRO 110 Cb 0.42 -2.24 0.59 0.00 -0.02 0.00 0.00 33.50 32.25 1ll1 n PRO 110 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1ll1 h VAL 111 N 3.34 1.03 0.00 -1.45 3.04 -1.96 -1.33 116.25 118.92 1ll1 h VAL 111 Ca -0.46 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 64.89 1ll1 h VAL 111 Cb 1.30 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 31.76 1ll1 h VAL 111 CO 0.81 0.09 -0.03 0.06 -1.01 0.00 0.00 177.57 177.49 1ll1 h GLN 112 N 0.00 0.00 0.00 4.17 -0.00 -1.89 -0.25 115.11 117.13 1ll1 h GLN 112 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1ll1 h GLN 112 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.65 1ll1 h GLN 112 CO 0.01 0.03 -1.14 0.39 -0.00 0.00 0.00 178.83 178.12 1ll1 n GLU 113 N -3.13 0.37 0.03 0.06 1.02 -0.56 -2.11 120.64 116.32 1ll1 n GLU 113 Ca 0.01 -0.01 -0.21 0.00 -0.02 0.00 0.00 57.16 56.92 1ll1 n GLU 113 Cb 0.35 -1.61 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 1ll1 n GLU 113 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1ll1 h ILE 114 N 0.00 1.14 -2.12 -3.67 2.04 -0.91 -3.16 117.51 110.82 1ll1 h ILE 114 Ca 0.00 -2.45 -0.57 0.00 1.00 0.00 0.00 64.86 62.84 1ll1 h ILE 114 Cb 0.79 2.83 -0.41 0.00 -0.74 0.00 0.00 36.82 39.30 1ll1 h ILE 114 CO 0.00 0.72 -0.85 0.49 0.00 0.00 0.00 178.15 178.51 1ll1 n PHE 115 N -3.94 1.92 0.22 1.37 3.72 -0.15 -4.41 117.46 116.19 1ll1 n PHE 115 Ca -0.22 -3.89 0.15 0.00 -0.05 0.00 0.00 57.45 53.43 1ll1 n PHE 115 Cb 0.90 -0.46 0.78 0.00 -0.94 0.00 0.00 39.48 39.76 1ll1 n PHE 115 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1ll1 h PRO 116 N 3.81 0.00 0.00 -1.08 0.13 -1.64 -1.49 132.00 131.72 1ll1 h PRO 116 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1ll1 h PRO 116 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1ll1 h PRO 116 CO 0.67 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.04 1ll1 n ASP 117 N -2.50 0.00 -0.44 1.44 5.75 -1.26 -0.85 116.55 118.68 1ll1 n ASP 117 Ca -0.02 -0.32 0.10 0.00 -0.01 0.00 0.00 54.79 54.54 1ll1 n ASP 117 Cb 0.05 -0.21 -0.01 0.00 -1.03 0.00 0.00 41.12 39.92 1ll1 n ASP 117 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1ll1 n LYS 118 N -1.21 1.39 0.00 0.11 5.02 -0.56 -3.97 118.16 118.95 1ll1 n LYS 118 Ca 0.15 -0.91 0.00 0.00 -2.02 0.00 0.00 58.31 55.53 1ll1 n LYS 118 Cb 0.18 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1ll1 n LYS 118 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1ll1 n PHE 119 N -0.08 0.00 -4.37 2.13 3.01 -0.99 -4.84 117.46 112.32 1ll1 n PHE 119 Ca 0.08 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.20 1ll1 n PHE 119 Cb 0.42 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.78 1ll1 n PHE 119 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1ll1 s ILE 120 N -1.87 4.23 0.60 4.37 -1.09 -0.03 -4.92 121.20 122.49 1ll1 s ILE 120 Ca 0.00 -0.27 -0.20 0.00 -2.23 0.00 0.00 60.65 57.96 1ll1 s ILE 120 Cb 0.00 -2.80 -0.03 0.00 -1.58 0.00 0.00 42.46 38.05 1ll1 s ILE 120 CO 0.00 0.57 1.33 -2.16 -1.23 0.00 0.00 174.94 173.45 1ll1 s PRO 121 N -0.54 2.81 0.34 2.79 0.04 -1.26 -4.70 135.00 134.48 1ll1 s PRO 121 Ca 0.09 2.15 0.14 0.00 0.04 0.00 0.00 61.00 63.42 1ll1 s PRO 121 Cb -0.12 -2.03 1.04 0.00 0.04 0.00 0.00 34.50 33.43 1ll1 s PRO 121 CO 0.02 -1.42 1.69 1.03 0.04 0.00 0.00 177.00 178.36 1ll1 h SER 122 N 0.95 0.55 -0.23 6.66 0.87 -1.16 -1.18 113.55 120.00 1ll1 h SER 122 Ca -0.51 0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.18 1ll1 h SER 122 Cb 1.32 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.36 1ll1 h SER 122 CO 0.55 -0.04 0.03 0.00 -0.53 0.00 0.00 176.83 176.84 1ll1 h ALA 123 N 1.78 0.31 -0.61 6.23 0.00 -1.91 -1.17 119.26 123.89 1ll1 h ALA 123 Ca 0.70 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 1ll1 h ALA 123 Cb 1.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 1ll1 h ALA 123 CO -0.52 0.00 0.15 0.00 0.00 0.00 0.00 179.25 178.88 1ll1 h ALA 124 N 0.83 0.80 -0.60 0.00 0.00 -1.61 -0.15 119.26 118.53 1ll1 h ALA 124 Ca 0.07 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1ll1 h ALA 124 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ll1 h ALA 124 CO 0.01 0.51 0.16 0.82 0.00 0.00 0.00 179.25 180.74 1ll1 h ILE 125 N 0.88 1.25 -0.38 0.00 1.08 -1.31 -1.23 117.51 117.80 1ll1 h ILE 125 Ca 0.19 -0.89 -0.11 0.00 -0.39 0.00 0.00 64.86 63.67 1ll1 h ILE 125 Cb 0.35 0.69 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 1ll1 h ILE 125 CO 0.00 0.33 -0.18 -1.13 -0.69 0.00 0.00 178.15 176.48 1ll1 h ASN 126 N 0.86 0.83 -0.06 1.72 -0.73 -0.99 -2.89 115.58 114.32 1ll1 h ASN 126 Ca 0.19 -0.40 -0.06 0.00 1.87 0.00 0.00 56.30 57.90 1ll1 h ASN 126 Cb 0.34 -0.23 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 1ll1 h ASN 126 CO 0.00 1.05 -0.11 -0.08 -0.37 0.00 0.00 177.43 177.91 1ll1 h GLU 127 N 0.60 0.35 0.00 6.67 4.81 -0.90 -2.05 114.58 124.07 1ll1 h GLU 127 Ca 0.09 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ll1 h GLU 127 Cb 0.73 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1ll1 h GLU 127 CO 0.06 0.47 0.09 0.00 -0.73 0.00 0.00 179.01 178.89 1ll1 h ALA 128 N 1.56 1.06 -1.13 2.92 0.00 -1.00 -3.33 119.26 119.33 1ll1 h ALA 128 Ca 0.07 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 54.26 1ll1 h ALA 128 Cb 0.40 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.07 1ll1 h ALA 128 CO 0.02 -0.06 1.92 1.19 0.00 0.00 0.00 179.25 182.32 1ll1 n PHE 129 N -2.25 4.43 0.00 0.00 3.01 -0.77 -5.06 117.46 116.82 1ll1 n PHE 129 Ca -0.01 -3.07 0.00 0.00 1.01 0.00 0.00 57.45 55.38 1ll1 n PHE 129 Cb 0.12 -2.34 0.00 0.00 -0.01 0.00 0.00 39.48 37.25 1ll1 n PHE 129 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ll1 n LYS 130 N 6.31 0.00 -1.46 -1.08 4.01 -1.25 -5.10 118.16 119.58 1ll1 n LYS 130 Ca 0.43 0.00 -0.45 0.00 -0.51 0.00 0.00 58.31 57.78 1ll1 n LYS 130 Cb 0.42 0.00 -0.10 0.00 -0.51 0.00 0.00 35.03 34.84 1ll1 n LYS 130 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1ll1 n LYS 131 N 0.00 0.46 -2.74 1.97 2.85 -1.26 -5.10 118.16 114.34 1ll1 n LYS 131 Ca 0.00 0.06 -0.35 0.00 -1.05 0.00 0.00 58.31 56.98 1ll1 n LYS 131 Cb 0.00 -2.13 -0.06 0.00 -0.65 0.00 0.00 35.03 32.19 1ll1 n LYS 131 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1ll1 s ILE 143 N 8.88 4.18 -0.10 0.58 1.01 -0.12 -4.97 121.20 130.66 1ll1 s ILE 143 Ca 1.20 1.51 -0.04 0.00 0.00 0.00 0.00 60.65 63.32 1ll1 s ILE 143 Cb -0.98 -3.70 0.05 0.00 0.01 0.00 0.00 42.46 37.84 1ll1 s ILE 143 CO 0.47 -0.14 0.21 -0.22 0.00 0.00 0.00 174.94 175.25 1ll1 s LEU 144 N -2.84 0.05 -0.17 2.97 2.96 -1.26 -1.86 118.68 118.53 1ll1 s LEU 144 Ca 0.59 0.46 0.01 0.00 -0.22 0.00 0.00 54.13 54.97 1ll1 s LEU 144 Cb -0.14 0.53 0.02 0.00 0.50 0.00 0.00 46.19 47.10 1ll1 s LEU 144 CO 0.19 -0.21 -0.20 0.68 -1.32 0.00 0.00 176.35 175.48 1ll1 s VAL 145 N 1.98 2.04 -0.47 1.68 -7.23 -0.04 -4.99 120.40 113.37 1ll1 s VAL 145 Ca -0.02 -0.94 -0.27 0.00 -1.81 0.00 0.00 61.98 58.94 1ll1 s VAL 145 Cb -0.12 -1.83 0.03 0.00 0.56 0.00 0.00 36.38 35.02 1ll1 s VAL 145 CO -0.07 0.54 1.04 1.51 -0.31 0.00 0.00 175.10 177.80 1ll1 s ASP 146 N 1.18 6.57 -0.32 4.85 1.47 -1.26 -0.71 116.67 128.45 1ll1 s ASP 146 Ca 0.02 0.29 -0.28 0.00 1.18 0.00 0.00 52.55 53.76 1ll1 s ASP 146 Cb -0.14 -2.50 -0.03 0.00 -0.34 0.00 0.00 42.92 39.91 1ll1 s ASP 146 CO -0.10 -1.16 1.97 0.68 0.68 0.00 0.00 175.17 177.23 1ll1 s VAL 147 N 4.13 3.30 0.00 2.11 -7.23 0.68 -4.90 120.40 118.48 1ll1 s VAL 147 Ca 0.43 0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.89 1ll1 s VAL 147 Cb -0.08 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.43 1ll1 s VAL 147 CO 0.29 -0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1ll1 n GLY 151 N 5.57 2.41 3.72 2.32 0.00 -1.26 -4.78 105.19 113.18 1ll1 n GLY 151 Ca 0.26 -1.14 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1ll1 n GLY 151 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ll1 s ASN 152 N 0.00 6.56 -0.74 1.61 -0.87 -1.26 -4.92 114.94 115.31 1ll1 s ASN 152 Ca 0.00 2.68 -0.26 0.00 -1.57 0.00 0.00 52.86 53.70 1ll1 s ASN 152 Cb 0.00 -2.60 0.01 0.00 -0.02 0.00 0.00 41.25 38.64 1ll1 s ASN 152 CO 0.00 -0.83 1.53 -0.63 -2.57 0.00 0.00 177.10 174.60 1ll1 s ILE 153 N 0.90 3.61 -1.66 0.60 -1.09 -1.26 -4.81 121.20 117.49 1ll1 s ILE 153 Ca 0.69 0.16 0.19 0.00 -2.23 0.00 0.00 60.65 59.45 1ll1 s ILE 153 Cb -0.44 -4.56 0.51 0.00 -1.58 0.00 0.00 42.46 36.38 1ll1 s ILE 153 CO 0.34 -1.51 1.42 0.18 -1.23 0.00 0.00 174.94 174.15 1ll1 n LEU 154 N 10.70 3.56 -3.75 2.97 7.99 -1.26 -4.88 117.00 132.33 1ll1 n LEU 154 Ca 0.14 -1.94 -0.24 0.00 -0.01 0.00 0.00 56.01 53.96 1ll1 n LEU 154 Cb 0.50 -0.38 -0.17 0.00 -0.11 0.00 0.00 43.42 43.26 1ll1 n LEU 154 CO 0.70 0.88 -0.37 -0.62 -1.51 0.00 0.00 177.39 176.46 1ll1 s ASP 155 N -1.04 1.86 0.57 -1.43 2.15 -1.26 -5.02 116.67 112.50 1ll1 s ASP 155 Ca 0.39 -0.25 0.26 0.00 0.43 0.00 0.00 52.55 53.39 1ll1 s ASP 155 Cb 0.21 -0.44 1.68 0.00 -0.30 0.00 0.00 42.92 44.07 1ll1 s ASP 155 CO 0.27 -0.23 2.22 1.55 -0.17 0.00 0.00 175.17 178.82 1ll1 h PRO 156 N 8.32 0.00 0.00 4.34 0.13 -2.03 -1.25 132.00 141.52 1ll1 h PRO 156 Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1ll1 h PRO 156 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1ll1 h PRO 156 CO 0.27 0.00 0.00 1.49 -0.23 0.00 0.00 178.00 179.53 1ll1 h GLU 157 N 0.00 0.00 0.00 0.86 4.57 -2.01 -1.89 114.58 116.11 1ll1 h GLU 157 Ca 0.01 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1ll1 h GLU 157 Cb 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 1ll1 h GLU 157 CO -0.00 0.00 -0.25 -0.92 -1.18 0.00 0.00 179.01 176.66 1ll1 h TYR 158 N 0.00 0.00 0.00 0.92 3.20 -1.66 -2.71 116.97 116.72 1ll1 h TYR 158 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1ll1 h TYR 158 Cb 0.20 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.47 1ll1 h TYR 158 CO 0.00 0.25 0.00 0.54 -1.64 0.00 0.00 178.16 177.31 1ll1 n ARG 159 N -3.74 0.15 -0.17 1.82 1.74 -0.71 -1.52 116.66 114.23 1ll1 n ARG 159 Ca -0.01 0.18 0.05 0.00 -0.77 0.00 0.00 57.85 57.30 1ll1 n ARG 159 Cb 0.36 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.43 1ll1 n ARG 159 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ll1 n LEU 160 N -1.28 2.81 0.22 0.55 4.77 -1.02 -4.63 117.00 118.43 1ll1 n LEU 160 Ca 0.05 -2.33 0.07 0.00 -0.03 0.00 0.00 56.01 53.77 1ll1 n LEU 160 Cb 0.08 -0.26 0.52 0.00 -2.33 0.00 0.00 43.42 41.44 1ll1 n LEU 160 CO 0.08 0.66 0.86 0.00 -1.33 0.00 0.00 177.39 177.65 1ll1 h ALA 161 N 1.23 1.41 0.00 -1.18 0.00 -1.40 -2.04 119.26 117.27 1ll1 h ALA 161 Ca 0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1ll1 h ALA 161 Cb 0.84 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1ll1 h ALA 161 CO 0.04 0.29 -0.03 0.10 0.00 0.00 0.00 179.25 179.65 1ll1 h TYR 162 N 0.00 0.00 0.00 0.00 -0.00 -1.82 0.29 116.97 115.44 1ll1 h TYR 162 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.65 1ll1 h TYR 162 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.19 1ll1 h TYR 162 CO 0.00 0.03 -0.81 0.98 -0.00 0.00 0.00 178.16 178.36 1ll1 n TYR 163 N -4.41 0.88 -0.14 0.10 4.19 -0.88 -3.70 117.16 113.20 1ll1 n TYR 163 Ca -0.03 0.38 -0.04 0.00 3.31 0.00 0.00 57.90 61.52 1ll1 n TYR 163 Cb 0.12 -0.86 0.04 0.00 0.49 0.00 0.00 39.34 39.13 1ll1 n TYR 163 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1ll1 h ARG 164 N -1.00 0.28 -0.62 2.98 3.08 -1.38 -2.65 114.38 115.08 1ll1 h ARG 164 Ca -0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1ll1 h ARG 164 Cb 0.79 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1ll1 h ARG 164 CO -0.07 0.19 0.00 0.39 -1.07 0.00 0.00 179.97 179.40 1ll1 n GLU 165 N -5.04 2.96 -2.01 0.04 1.02 0.09 -3.02 120.64 114.67 1ll1 n GLU 165 Ca 0.04 -1.97 -0.42 0.00 -0.02 0.00 0.00 57.16 54.78 1ll1 n GLU 165 Cb 0.18 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 29.84 1ll1 n GLU 165 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ll1 s ASP 166 N -0.74 6.67 0.20 1.62 2.15 -1.00 -4.92 116.67 120.65 1ll1 s ASP 166 Ca 0.35 2.43 -0.11 0.00 0.43 0.00 0.00 52.55 55.66 1ll1 s ASP 166 Cb 0.23 -2.57 0.20 0.00 -0.30 0.00 0.00 42.92 40.48 1ll1 s ASP 166 CO 0.16 -0.81 1.79 0.58 -0.17 0.00 0.00 175.17 176.72 1ll1 h VAL 167 N 4.54 0.94 -0.45 1.11 2.07 -1.91 -2.53 116.25 120.02 1ll1 h VAL 167 Ca -0.42 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 1ll1 h VAL 167 Cb 1.20 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1ll1 h VAL 167 CO 0.91 0.10 0.02 1.23 0.02 0.00 0.00 177.57 179.86 1ll1 h GLY 168 N 0.57 0.85 1.03 2.17 0.00 -1.98 -1.53 103.07 104.18 1ll1 h GLY 168 Ca 0.27 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 1ll1 h GLY 168 CO -0.19 0.56 0.33 1.19 0.00 0.00 0.00 176.54 178.43 1ll1 h ILE 169 N 0.64 1.25 -0.07 2.60 2.10 -1.86 0.25 117.51 122.42 1ll1 h ILE 169 Ca 0.13 -0.75 -0.16 0.00 1.08 0.00 0.00 64.86 65.16 1ll1 h ILE 169 Cb 0.47 0.33 -0.01 0.00 -1.09 0.00 0.00 36.82 36.52 1ll1 h ILE 169 CO 0.02 0.31 -0.64 0.78 -1.08 0.00 0.00 178.15 177.54 1ll1 h ASN 170 N 1.08 0.31 -0.40 2.19 2.35 -1.43 -2.24 115.58 117.44 1ll1 h ASN 170 Ca 0.26 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1ll1 h ASN 170 Cb 0.17 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1ll1 h ASN 170 CO -0.03 0.87 0.02 0.00 -1.65 0.00 0.00 177.43 176.65 1ll1 h ALA 171 N 1.13 0.53 -0.51 -0.83 0.00 -0.76 -2.58 119.26 116.24 1ll1 h ALA 171 Ca -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1ll1 h ALA 171 Cb 1.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1ll1 h ALA 171 CO 0.10 0.29 0.33 1.25 0.00 0.00 0.00 179.25 181.22 1ll1 h HIS 172 N 0.52 0.62 -0.82 0.00 -0.00 -0.80 -1.91 115.15 112.76 1ll1 h HIS 172 Ca 0.12 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.57 1ll1 h HIS 172 Cb 0.44 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.41 27.58 1ll1 h HIS 172 CO 0.03 0.38 0.50 1.25 -0.00 0.00 0.00 177.93 180.09 1ll1 h HIS 173 N 0.67 0.92 -0.35 5.26 6.17 -1.24 0.19 115.15 126.77 1ll1 h HIS 173 Ca 0.19 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.28 1ll1 h HIS 173 Cb -0.05 -0.29 -0.02 0.00 2.52 0.00 0.00 27.41 29.57 1ll1 h HIS 173 CO -0.05 0.45 0.15 2.35 0.71 0.00 0.00 177.93 181.54 1ll1 h TRP 174 N 0.90 0.52 -0.47 5.26 2.91 -1.06 -2.89 115.95 121.11 1ll1 h TRP 174 Ca 0.37 -0.03 -0.09 0.00 1.13 0.00 0.00 58.89 60.27 1ll1 h TRP 174 Cb 0.20 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.68 1ll1 h TRP 174 CO -0.04 0.47 -0.05 0.45 -1.03 0.00 0.00 178.44 178.23 1ll1 h HIS 175 N 0.42 0.95 -0.59 2.65 3.86 -0.67 -3.09 115.15 118.69 1ll1 h HIS 175 Ca 0.12 -0.18 0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1ll1 h HIS 175 Cb 0.16 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 28.35 1ll1 h HIS 175 CO -0.01 0.92 0.36 2.35 0.86 0.00 0.00 177.93 182.41 1ll1 h TRP 176 N 0.71 0.68 0.00 2.45 7.01 -0.61 -1.04 115.95 125.15 1ll1 h TRP 176 Ca 0.13 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.15 1ll1 h TRP 176 Cb 0.58 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 1ll1 h TRP 176 CO 0.04 0.39 0.00 0.72 -2.79 0.00 0.00 178.44 176.80 1ll1 n HIS 177 N -4.74 0.72 -0.00 2.65 8.25 -1.10 -1.18 115.22 119.82 1ll1 n HIS 177 Ca 0.05 0.30 0.02 0.00 -0.26 0.00 0.00 57.72 57.83 1ll1 n HIS 177 Cb 0.07 -0.99 -0.11 0.00 1.12 0.00 0.00 29.99 30.08 1ll1 n HIS 177 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ll1 n LEU 178 N -2.17 0.44 0.08 2.41 4.77 -0.48 -2.21 117.00 119.83 1ll1 n LEU 178 Ca 0.01 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.06 1ll1 n LEU 178 Cb 0.18 0.13 -0.13 0.00 -2.33 0.00 0.00 43.42 41.26 1ll1 n LEU 178 CO 0.17 0.14 -0.04 0.58 -1.33 0.00 0.00 177.39 176.91 1ll1 h VAL 179 N 0.00 1.51 -2.17 4.08 2.07 -0.80 -3.38 116.25 117.56 1ll1 h VAL 179 Ca -0.19 -3.15 -0.58 0.00 0.82 0.00 0.00 66.70 63.61 1ll1 h VAL 179 Cb 1.51 2.86 -0.41 0.00 -1.52 0.00 0.00 31.29 33.73 1ll1 h VAL 179 CO 0.02 0.90 -0.76 -1.22 0.02 0.00 0.00 177.57 176.54 1ll1 n TYR 180 N -3.43 2.79 -2.09 1.57 4.01 -0.32 -5.07 117.16 114.61 1ll1 n TYR 180 Ca -0.07 -3.98 -0.41 0.00 -0.16 0.00 0.00 57.90 53.29 1ll1 n TYR 180 Cb 1.00 -0.49 -0.02 0.00 -0.31 0.00 0.00 39.34 39.52 1ll1 n TYR 180 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ll1 s PRO 181 N -2.62 4.32 0.45 -0.72 0.04 -0.94 -4.70 135.00 130.84 1ll1 s PRO 181 Ca 0.42 2.25 0.30 0.00 0.04 0.00 0.00 61.00 64.01 1ll1 s PRO 181 Cb 0.22 -3.05 1.13 0.00 0.04 0.00 0.00 34.50 32.84 1ll1 s PRO 181 CO -0.08 -0.23 1.87 0.66 0.04 0.00 0.00 177.00 179.26 1ll1 h SER 182 N 3.33 0.00 -0.29 6.66 4.64 -1.93 -2.78 113.55 123.18 1ll1 h SER 182 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1ll1 h SER 182 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1ll1 h SER 182 CO 0.65 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.96 1ll1 n THR 183 N -2.84 0.38 -1.68 2.95 -2.24 -1.26 0.72 114.28 110.30 1ll1 n THR 183 Ca 0.02 -0.45 -0.43 0.00 -2.27 0.00 0.00 64.05 60.91 1ll1 n THR 183 Cb 0.32 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 1ll1 n THR 183 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1ll1 n TRP 184 N 0.54 2.54 -3.79 4.78 -0.00 -1.05 -4.78 117.44 115.68 1ll1 n TRP 184 Ca 0.15 -0.18 -0.36 0.00 -0.00 0.00 0.00 57.50 57.11 1ll1 n TRP 184 Cb 0.34 -2.74 -0.12 0.00 -0.00 0.00 0.00 31.31 28.80 1ll1 n TRP 184 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1ll1 s ASN 185 N 3.29 5.21 0.25 5.87 3.84 -1.26 -4.42 114.94 127.72 1ll1 s ASN 185 Ca 0.85 -1.67 -0.04 0.00 0.21 0.00 0.00 52.86 52.22 1ll1 s ASN 185 Cb -0.50 -1.82 0.39 0.00 -0.55 0.00 0.00 41.25 38.77 1ll1 s ASN 185 CO 0.40 -0.44 1.83 -0.65 -2.79 0.00 0.00 177.10 175.46 1ll1 h PRO 186 N 8.10 0.89 0.00 0.43 0.11 -1.93 -2.34 132.00 137.25 1ll1 h PRO 186 Ca -0.17 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.78 1ll1 h PRO 186 Cb 1.06 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 1ll1 h PRO 186 CO 0.65 0.59 -0.51 1.57 -0.21 0.00 0.00 178.00 180.09 1ll1 h LYS 187 N 0.91 0.00 0.44 1.05 2.10 -1.92 0.23 116.57 119.38 1ll1 h LYS 187 Ca 0.40 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 59.03 1ll1 h LYS 187 Cb 0.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.62 1ll1 h LYS 187 CO -0.22 0.51 -0.21 -0.92 -2.00 0.00 0.00 179.45 176.61 1ll1 h TYR 188 N 0.00 -0.54 0.00 0.07 3.20 -1.82 -3.22 116.97 114.65 1ll1 h TYR 188 Ca -0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1ll1 h TYR 188 Cb 0.92 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.37 1ll1 h TYR 188 CO 0.00 -0.23 0.00 0.74 -1.64 0.00 0.00 178.16 177.03 1ll1 h PHE 189 N -1.01 0.00 0.00 -3.82 0.04 -1.47 -3.47 116.94 107.22 1ll1 h PHE 189 Ca -0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1ll1 h PHE 189 Cb 0.56 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1ll1 h PHE 189 CO 0.02 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.14 1ll1 n GLY 190 N 0.30 2.75 3.41 -1.45 0.00 0.79 -4.99 105.19 106.00 1ll1 n GLY 190 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1ll1 n GLY 190 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ll1 s LYS 191 N -0.11 1.60 0.02 1.61 -2.85 -1.18 -4.95 119.74 113.89 1ll1 s LYS 191 Ca 0.00 -1.25 0.03 0.00 -1.00 0.00 0.00 55.97 53.76 1ll1 s LYS 191 Cb 0.00 -1.98 -0.04 0.00 -2.06 0.00 0.00 37.83 33.75 1ll1 s LYS 191 CO 0.00 0.47 -0.05 0.15 0.10 0.00 0.00 175.35 176.02 1ll1 s LYS 192 N -1.90 2.55 -0.69 1.78 3.01 -1.26 -4.48 119.74 118.75 1ll1 s LYS 192 Ca 0.15 -0.74 -0.21 0.00 -1.01 0.00 0.00 55.97 54.16 1ll1 s LYS 192 Cb -0.10 -2.52 0.09 0.00 -1.01 0.00 0.00 37.83 34.30 1ll1 s LYS 192 CO 0.06 0.59 0.90 0.15 0.51 0.00 0.00 175.35 177.57 1ll1 s LYS 193 N -1.60 3.18 -0.02 1.68 -0.14 -1.26 -4.90 119.74 116.68 1ll1 s LYS 193 Ca 0.19 -1.18 -0.36 0.00 -1.36 0.00 0.00 55.97 53.26 1ll1 s LYS 193 Cb -0.11 -4.36 -0.15 0.00 -1.68 0.00 0.00 37.83 31.53 1ll1 s LYS 193 CO 0.10 -1.71 1.62 -3.47 -0.76 0.00 0.00 175.35 171.13 1ll1 n ASP 194 N 7.00 2.62 -4.10 2.83 2.03 -1.26 -2.46 116.55 123.21 1ll1 n ASP 194 Ca -0.01 1.06 -0.32 0.00 0.52 0.00 0.00 54.79 56.04 1ll1 n ASP 194 Cb 0.45 -1.28 -0.02 0.00 -0.72 0.00 0.00 41.12 39.55 1ll1 n ASP 194 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ll1 n ARG 195 N 4.40 -3.57 -0.33 -0.67 1.74 -1.26 -4.70 116.66 112.27 1ll1 n ARG 195 Ca 0.21 0.42 -0.03 0.00 -0.77 0.00 0.00 57.85 57.67 1ll1 n ARG 195 Cb 0.23 -5.00 0.10 0.00 -1.02 0.00 0.00 32.46 26.77 1ll1 n ARG 195 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 1ll1 h LYS 196 N -1.68 1.24 -0.52 5.56 3.64 -1.86 0.42 116.57 123.37 1ll1 h LYS 196 Ca -0.60 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 58.58 1ll1 h LYS 196 Cb 1.38 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1ll1 h LYS 196 CO 0.72 0.90 0.07 0.78 -2.27 0.00 0.00 179.45 179.65 1ll1 h GLY 197 N 1.26 0.90 1.53 5.01 0.00 -1.88 -0.42 103.07 109.46 1ll1 h GLY 197 Ca 0.32 -0.56 -0.22 0.00 0.00 0.00 0.00 47.33 46.87 1ll1 h GLY 197 CO -0.05 0.52 -0.89 -2.09 0.00 0.00 0.00 176.54 174.03 1ll1 h GLU 198 N 0.79 0.43 -0.19 4.80 4.81 -1.56 -2.89 114.58 120.77 1ll1 h GLU 198 Ca 0.16 -0.43 -0.14 0.00 -0.13 0.00 0.00 59.36 58.82 1ll1 h GLU 198 Cb 0.38 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1ll1 h GLU 198 CO 0.01 1.09 -0.48 1.25 -0.73 0.00 0.00 179.01 180.14 1ll1 h LEU 199 N 0.26 0.55 -0.18 1.64 6.46 -0.78 -1.74 115.31 121.52 1ll1 h LEU 199 Ca -0.07 -0.27 0.02 0.00 -0.12 0.00 0.00 57.88 57.44 1ll1 h LEU 199 Cb 1.51 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.26 1ll1 h LEU 199 CO 0.15 0.94 0.04 0.15 -0.62 0.00 0.00 178.44 179.11 1ll1 h PHE 200 N 0.40 0.08 0.37 1.25 3.57 -1.08 0.52 116.94 122.06 1ll1 h PHE 200 Ca 0.02 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ll1 h PHE 200 Cb 0.99 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1ll1 h PHE 200 CO 0.04 0.03 -0.34 -0.92 -2.23 0.00 0.00 178.31 174.89 1ll1 h TYR 201 N 0.12 -0.91 -0.65 0.41 3.20 -1.28 -2.73 116.97 115.14 1ll1 h TYR 201 Ca 0.08 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1ll1 h TYR 201 Cb 0.06 0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 1ll1 h TYR 201 CO -0.13 -0.48 0.34 -0.92 -1.64 0.00 0.00 178.16 175.33 1ll1 h TYR 202 N -0.72 0.92 0.07 -3.82 3.20 -1.19 0.10 116.97 115.53 1ll1 h TYR 202 Ca -0.03 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.82 1ll1 h TYR 202 Cb 0.64 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 1ll1 h TYR 202 CO -0.18 0.67 -0.10 1.98 -1.64 0.00 0.00 178.16 178.89 1ll1 h MET 203 N 0.90 -0.20 0.00 1.82 4.05 -0.89 0.58 114.93 121.19 1ll1 h MET 203 Ca 0.23 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.57 1ll1 h MET 203 Cb 0.08 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1ll1 h MET 203 CO -0.03 -0.13 -0.44 0.45 0.23 0.00 0.00 176.91 176.98 1ll1 h HIS 204 N -0.21 0.00 -0.40 1.39 3.86 -1.35 -1.56 115.15 116.89 1ll1 h HIS 204 Ca 0.01 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 1ll1 h HIS 204 Cb 0.22 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.67 1ll1 h HIS 204 CO -0.13 0.44 0.03 0.37 0.86 0.00 0.00 177.93 179.50 1ll1 h GLN 205 N 0.00 0.68 -0.39 2.45 -0.00 -0.38 -2.37 115.11 115.11 1ll1 h GLN 205 Ca -0.00 -0.20 -0.09 0.00 -0.00 0.00 0.00 58.65 58.35 1ll1 h GLN 205 Cb 0.82 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.22 1ll1 h GLN 205 CO 0.06 0.76 -0.13 1.96 0.00 0.00 0.00 178.83 181.47 1ll1 h GLN 206 N 0.52 0.69 -0.19 1.69 1.08 -0.58 0.12 115.11 118.43 1ll1 h GLN 206 Ca 0.12 -0.23 -0.05 0.00 -1.45 0.00 0.00 58.65 57.04 1ll1 h GLN 206 Cb 0.43 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 1ll1 h GLN 206 CO 0.02 0.80 -0.09 0.52 -0.95 0.00 0.00 178.83 179.12 1ll1 h MET 207 N 0.63 0.29 0.14 1.46 2.86 -1.05 0.34 114.93 119.60 1ll1 h MET 207 Ca 0.11 -0.06 -0.29 0.00 -2.06 0.00 0.00 59.70 57.40 1ll1 h MET 207 Cb 0.58 -0.04 0.03 0.00 0.06 0.00 0.00 31.60 32.23 1ll1 h MET 207 CO 0.04 0.40 -1.20 0.00 1.06 0.00 0.00 176.91 177.20 1ll1 h ALA 209 N 0.24 0.57 -0.60 0.00 0.00 -0.69 -0.79 119.26 117.98 1ll1 h ALA 209 Ca -0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1ll1 h ALA 209 Cb 1.90 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1ll1 h ALA 209 CO 0.23 0.14 0.23 0.00 0.00 0.00 0.00 179.25 179.85 1ll1 h ARG 210 N 0.57 0.91 -0.74 0.00 3.08 -1.01 -1.92 114.38 115.28 1ll1 h ARG 210 Ca 0.15 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 1ll1 h ARG 210 Cb 0.13 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1ll1 h ARG 210 CO -0.02 0.78 0.31 -0.92 -1.07 0.00 0.00 179.97 179.06 1ll1 h TYR 211 N 0.84 1.11 -0.03 3.04 3.20 -1.17 -2.01 116.97 121.94 1ll1 h TYR 211 Ca 0.20 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 1ll1 h TYR 211 Cb 0.22 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1ll1 h TYR 211 CO 0.01 0.84 -0.16 -0.44 -1.64 0.00 0.00 178.16 176.77 1ll1 h ASP 212 N 1.05 0.05 0.66 -2.11 3.32 -0.77 -1.04 116.42 117.58 1ll1 h ASP 212 Ca 0.25 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 1ll1 h ASP 212 Cb 0.18 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1ll1 h ASP 212 CO -0.02 0.21 -0.50 0.00 -1.72 0.00 0.00 179.24 177.21 1ll1 h GLU 214 N 0.00 0.45 0.08 0.00 4.39 -0.87 -0.98 114.58 117.65 1ll1 h GLU 214 Ca -0.00 -0.51 -0.00 0.00 0.34 0.00 0.00 59.36 59.18 1ll1 h GLU 214 Cb 0.96 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1ll1 h GLU 214 CO 0.06 1.17 -0.04 0.00 -1.16 0.00 0.00 179.01 179.04 1ll1 h ARG 215 N 0.24 -0.11 -0.94 2.33 3.08 -1.00 -1.19 114.38 116.78 1ll1 h ARG 215 Ca -0.10 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.97 1ll1 h ARG 215 Cb 1.66 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.69 1ll1 h ARG 215 CO 0.18 0.06 0.62 -0.07 -1.07 0.00 0.00 179.97 179.69 1ll1 h LEU 216 N -0.26 1.07 -1.10 3.04 3.38 -1.29 0.16 115.31 120.32 1ll1 h LEU 216 Ca -0.01 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1ll1 h LEU 216 Cb 0.22 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1ll1 h LEU 216 CO 0.02 0.77 0.61 0.28 0.09 0.00 0.00 178.44 180.21 1ll1 h SER 217 N 1.26 0.95 -0.60 -0.43 0.02 -0.85 -1.38 113.55 112.52 1ll1 h SER 217 Ca 0.35 0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 61.06 1ll1 h SER 217 Cb -0.12 -0.19 -0.15 0.00 0.14 0.00 0.00 62.40 62.08 1ll1 h SER 217 CO -0.08 0.60 0.32 0.59 -1.14 0.00 0.00 176.83 177.12 1ll1 n ASN 218 N -4.50 3.74 -0.42 3.07 3.02 -0.35 -4.37 115.26 115.46 1ll1 n ASN 218 Ca 0.15 -2.96 -0.05 0.00 -0.03 0.00 0.00 54.58 51.68 1ll1 n ASN 218 Cb 0.20 -0.70 -0.02 0.00 -0.61 0.00 0.00 39.78 38.65 1ll1 n ASN 218 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ll1 n GLY 219 N -0.31 0.60 3.94 7.41 0.00 -0.52 -4.98 105.19 111.33 1ll1 n GLY 219 Ca 0.34 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 46.04 1ll1 n GLY 219 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ll1 s MET 220 N -2.20 3.48 0.82 1.61 -1.94 0.43 -4.86 119.30 116.64 1ll1 s MET 220 Ca 0.00 -0.50 -0.11 0.00 -1.71 0.00 0.00 55.69 53.38 1ll1 s MET 220 Cb 0.00 -2.89 0.09 0.00 2.01 0.00 0.00 34.83 34.04 1ll1 s MET 220 CO 0.00 0.44 1.10 -1.58 -0.01 0.00 0.00 175.02 174.97 1ll1 s HIS 221 N -1.86 2.36 0.50 -0.03 5.65 -1.26 -3.18 115.29 117.47 1ll1 s HIS 221 Ca 0.36 1.54 -0.22 0.00 0.25 0.00 0.00 55.06 56.99 1ll1 s HIS 221 Cb -0.11 -3.11 -0.06 0.00 -1.18 0.00 0.00 32.58 28.12 1ll1 s HIS 221 CO 0.29 -2.10 1.20 1.03 -0.65 0.00 0.00 174.74 174.52 1ll1 s ARG 222 N -4.86 3.50 0.15 2.88 0.52 -1.26 -4.71 118.95 115.18 1ll1 s ARG 222 Ca 0.63 1.86 -0.31 0.00 -0.52 0.00 0.00 55.73 57.38 1ll1 s ARG 222 Cb -0.18 -2.28 -0.10 0.00 0.52 0.00 0.00 34.95 32.91 1ll1 s ARG 222 CO 0.57 -0.79 1.54 1.41 0.02 0.00 0.00 175.30 178.05 1ll1 s MET 223 N -2.87 4.23 0.28 3.54 -2.45 -1.26 -5.00 119.30 115.78 1ll1 s MET 223 Ca 0.68 2.31 -0.21 0.00 -1.25 0.00 0.00 55.69 57.21 1ll1 s MET 223 Cb -0.31 -3.20 -0.09 0.00 1.25 0.00 0.00 34.83 32.48 1ll1 s MET 223 CO 0.36 -0.59 0.81 -0.51 1.05 0.00 0.00 175.02 176.15 1ll1 s LEU 224 N 1.23 4.27 0.48 4.11 1.43 -1.26 -4.98 118.68 123.97 1ll1 s LEU 224 Ca 0.69 1.55 -0.21 0.00 -1.03 0.00 0.00 54.13 55.14 1ll1 s LEU 224 Cb -0.42 -3.86 -0.08 0.00 0.03 0.00 0.00 46.19 41.86 1ll1 s LEU 224 CO 0.31 -0.06 1.07 -2.16 0.23 0.00 0.00 176.35 175.74 1ll1 s PRO 225 N -2.23 3.74 -1.16 1.29 0.04 -1.26 -4.45 135.00 130.97 1ll1 s PRO 225 Ca 0.48 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 62.89 1ll1 s PRO 225 Cb -0.16 -2.17 0.22 0.00 0.04 0.00 0.00 34.50 32.43 1ll1 s PRO 225 CO 0.21 -0.50 1.29 0.12 0.04 0.00 0.00 177.00 178.15 1ll1 s PHE 226 N -1.84 3.83 -2.30 0.56 5.36 -0.62 -4.74 117.98 118.24 1ll1 s PHE 226 Ca 0.67 -2.36 0.19 0.00 -0.96 0.00 0.00 56.93 54.46 1ll1 s PHE 226 Cb -0.20 -4.11 0.13 0.00 -0.34 0.00 0.00 43.02 38.50 1ll1 s PHE 226 CO 0.24 -1.20 1.08 0.27 -1.46 0.00 0.00 175.22 174.15 1ll1 n ASN 227 N 4.39 2.49 -4.12 6.13 2.04 -1.26 -4.80 115.26 120.14 1ll1 n ASN 227 Ca 0.31 -1.75 -0.35 0.00 -0.44 0.00 0.00 54.58 52.35 1ll1 n ASN 227 Cb 0.41 0.05 -0.13 0.00 -2.53 0.00 0.00 39.78 37.58 1ll1 n ASN 227 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1ll1 s ASN 228 N -1.63 5.03 0.00 0.53 3.84 -1.26 -4.97 114.94 116.48 1ll1 s ASN 228 Ca 0.21 -1.78 0.10 0.00 0.21 0.00 0.00 52.86 51.60 1ll1 s ASN 228 Cb 0.16 -1.75 0.59 0.00 -0.55 0.00 0.00 41.25 39.70 1ll1 s ASN 228 CO 0.26 -0.41 1.02 0.49 -2.79 0.00 0.00 177.10 175.67 1ll1 n PHE 229 N 4.54 0.00 -0.04 0.43 3.01 -1.26 -1.97 117.46 122.17 1ll1 n PHE 229 Ca -0.05 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.44 1ll1 n PHE 229 Cb 0.42 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.74 1ll1 n PHE 229 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1ll1 n ASP 230 N -0.95 0.08 -4.76 4.37 8.00 -1.26 -4.37 116.55 117.65 1ll1 n ASP 230 Ca 0.07 0.03 -0.41 0.00 0.71 0.00 0.00 54.79 55.19 1ll1 n ASP 230 Cb 0.03 1.49 -0.01 0.00 -0.02 0.00 0.00 41.12 42.61 1ll1 n ASP 230 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1ll1 s GLU 231 N -3.11 4.10 0.21 -1.24 8.01 -0.83 -4.86 118.70 120.97 1ll1 s GLU 231 Ca -0.08 2.61 -0.30 0.00 0.01 0.00 0.00 54.97 57.21 1ll1 s GLU 231 Cb 0.11 -3.00 -0.09 0.00 -4.31 0.00 0.00 34.13 26.84 1ll1 s GLU 231 CO 0.87 -0.63 1.22 -2.14 0.01 0.00 0.00 175.26 174.59 1ll1 s PRO 232 N -0.93 4.47 0.30 0.39 0.02 -1.26 -4.66 135.00 133.33 1ll1 s PRO 232 Ca 0.61 1.93 -0.24 0.00 0.02 0.00 0.00 61.00 63.32 1ll1 s PRO 232 Cb -0.48 -3.21 -0.10 0.00 0.02 0.00 0.00 34.50 30.73 1ll1 s PRO 232 CO 0.52 -0.10 0.89 -0.51 -0.33 0.00 0.00 177.00 177.47 1ll1 s LEU 233 N -0.47 4.32 0.50 -5.54 1.02 0.24 -4.84 118.68 113.91 1ll1 s LEU 233 Ca 0.52 1.72 -0.19 0.00 0.02 0.00 0.00 54.13 56.20 1ll1 s LEU 233 Cb -0.34 -3.94 -0.08 0.00 0.02 0.00 0.00 46.19 41.86 1ll1 s LEU 233 CO 0.39 -0.06 1.04 0.00 0.02 0.00 0.00 176.35 177.73 1ll1 s ALA 234 N -1.63 2.86 1.06 4.21 0.00 -1.26 -2.38 121.76 124.62 1ll1 s ALA 234 Ca 0.49 0.55 -0.18 0.00 0.00 0.00 0.00 51.96 52.82 1ll1 s ALA 234 Cb -0.17 -3.24 0.25 0.00 0.00 0.00 0.00 23.12 19.95 1ll1 s ALA 234 CO 0.22 -0.37 1.29 0.41 0.00 0.00 0.00 175.76 177.32 1ll1 n GLY 235 N -0.43 -1.79 3.21 0.00 0.00 -1.25 -4.85 105.19 100.08 1ll1 n GLY 235 Ca 0.09 -1.66 0.04 0.00 0.00 0.00 0.00 46.02 44.48 1ll1 n GLY 235 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ll1 s TYR 236 N -3.73 -0.03 -0.35 1.61 5.04 0.90 -4.91 117.35 115.88 1ll1 s TYR 236 Ca 0.75 0.06 -0.12 0.00 -2.44 0.00 0.00 57.07 55.32 1ll1 s TYR 236 Cb -0.03 0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.29 1ll1 s TYR 236 CO 0.54 -0.02 0.22 0.00 -1.34 0.00 0.00 175.55 174.96 1ll1 s ALA 237 N 1.92 3.43 0.28 3.97 0.00 -1.26 -1.22 121.76 128.88 1ll1 s ALA 237 Ca -0.00 -1.46 0.09 0.00 0.00 0.00 0.00 51.96 50.59 1ll1 s ALA 237 Cb -0.00 -2.62 0.39 0.00 0.00 0.00 0.00 23.12 20.88 1ll1 s ALA 237 CO -0.15 -1.06 1.63 -1.00 0.00 0.00 0.00 175.76 175.18 1ll1 h PRO 238 N 8.47 0.08 -5.46 0.00 0.13 -1.87 -3.47 132.00 129.88 1ll1 h PRO 238 Ca -0.30 -0.05 -0.42 0.00 -0.87 0.00 0.00 66.00 64.36 1ll1 h PRO 238 Cb 1.14 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.31 1ll1 h PRO 238 CO 0.65 0.62 -0.66 0.72 -0.23 0.00 0.00 178.00 179.10 1ll1 n HIS 239 N -3.88 -2.27 -4.42 1.56 8.25 -1.26 -4.90 115.22 108.30 1ll1 n HIS 239 Ca -0.02 0.74 -0.34 0.00 -0.26 0.00 0.00 57.72 57.85 1ll1 n HIS 239 Cb 0.58 -4.26 -0.13 0.00 1.12 0.00 0.00 29.99 27.30 1ll1 n HIS 239 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1ll1 s LEU 240 N -6.98 3.10 -0.02 2.41 1.43 -1.26 -0.54 118.68 116.82 1ll1 s LEU 240 Ca 0.49 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1ll1 s LEU 240 Cb -0.23 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1ll1 s LEU 240 CO 0.60 0.15 0.05 0.28 0.23 0.00 0.00 176.35 177.66 1ll1 s THR 241 N 0.49 4.54 -0.84 5.49 -1.32 -1.25 -2.20 115.64 120.55 1ll1 s THR 241 Ca -0.05 -0.40 -0.09 0.00 -1.21 0.00 0.00 61.69 59.95 1ll1 s THR 241 Cb -0.15 -3.03 0.22 0.00 -1.51 0.00 0.00 72.50 68.03 1ll1 s THR 241 CO 0.03 0.42 0.75 -2.28 -2.21 0.00 0.00 174.62 171.33 1ll1 s HIS 242 N -1.10 3.78 0.57 9.09 2.46 -0.30 -4.64 115.29 125.14 1ll1 s HIS 242 Ca 0.20 -2.43 0.28 0.00 0.47 0.00 0.00 55.06 53.57 1ll1 s HIS 242 Cb -0.12 -3.59 1.50 0.00 -0.13 0.00 0.00 32.58 30.23 1ll1 s HIS 242 CO 0.10 -0.91 1.97 -0.24 -2.47 0.00 0.00 174.74 173.19 1ll1 h VAL 243 N 4.60 0.50 0.00 0.89 3.04 -1.92 -0.68 116.25 122.68 1ll1 h VAL 243 Ca 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.79 1ll1 h VAL 243 Cb 0.96 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.93 1ll1 h VAL 243 CO 0.80 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.36 1ll1 n ALA 244 N -2.45 1.79 -1.31 3.17 0.00 -1.26 -3.13 120.51 117.32 1ll1 n ALA 244 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ll1 n ALA 244 Cb 0.60 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1ll1 n ALA 244 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1ll1 n SER 245 N -0.84 0.00 0.00 0.00 3.41 -0.87 -4.36 113.62 110.96 1ll1 n SER 245 Ca 0.04 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.07 1ll1 n SER 245 Cb 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.97 1ll1 n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ll1 n GLY 246 N 0.00 1.59 0.00 5.00 0.00 -0.32 -5.00 105.19 106.47 1ll1 n GLY 246 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ll1 n GLY 246 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ll1 n LYS 247 N -2.00 0.39 -3.47 1.61 5.02 -1.14 -4.81 118.16 113.76 1ll1 n LYS 247 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 1ll1 n LYS 247 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 34.99 1ll1 n LYS 247 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 1ll1 s TYR 248 N -0.50 -0.44 0.05 2.13 -0.85 -1.26 -1.15 117.35 115.32 1ll1 s TYR 248 Ca 0.00 0.26 -0.31 0.00 -0.52 0.00 0.00 57.07 56.50 1ll1 s TYR 248 Cb 0.00 0.55 -0.06 0.00 0.38 0.00 0.00 41.96 42.84 1ll1 s TYR 248 CO 0.00 -0.72 1.30 0.71 -1.52 0.00 0.00 175.55 175.31 1ll1 s TYR 249 N -3.47 3.22 0.11 -3.49 1.51 -0.93 -4.56 117.35 109.74 1ll1 s TYR 249 Ca 0.03 1.09 -0.31 0.00 -1.01 0.00 0.00 57.07 56.87 1ll1 s TYR 249 Cb -0.01 -3.55 -0.08 0.00 -0.11 0.00 0.00 41.96 38.21 1ll1 s TYR 249 CO -0.11 -1.85 1.39 -1.12 -1.11 0.00 0.00 175.55 172.76 1ll1 s SER 250 N 1.31 6.82 0.59 2.29 0.01 -1.13 -4.72 113.70 118.88 1ll1 s SER 250 Ca 0.61 2.32 -0.16 0.00 1.31 0.00 0.00 55.95 60.03 1ll1 s SER 250 Cb -0.31 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.29 1ll1 s SER 250 CO 0.28 -0.66 1.05 -2.16 0.41 0.00 0.00 173.24 172.17 1ll1 s PRO 251 N 1.16 3.36 -0.23 12.44 0.04 -1.26 -4.30 135.00 146.21 1ll1 s PRO 251 Ca 0.65 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.88 1ll1 s PRO 251 Cb -0.37 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.17 1ll1 s PRO 251 CO 0.30 -0.78 -0.13 0.50 0.04 0.00 0.00 177.00 176.93 1ll1 s ARG 252 N -4.10 2.63 0.95 4.56 3.52 -0.35 -4.92 118.95 121.24 1ll1 s ARG 252 Ca 0.63 -1.09 -0.13 0.00 -0.13 0.00 0.00 55.73 55.01 1ll1 s ARG 252 Cb -0.15 -2.80 0.16 0.00 -1.56 0.00 0.00 34.95 30.59 1ll1 s ARG 252 CO 0.37 -0.41 1.15 -1.25 -0.81 0.00 0.00 175.30 174.35 1ll1 s PRO 253 N 1.22 0.83 0.50 5.12 0.04 -1.26 -0.07 135.00 141.38 1ll1 s PRO 253 Ca -0.02 0.22 -0.20 0.00 0.04 0.00 0.00 61.00 61.04 1ll1 s PRO 253 Cb -0.17 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 32.49 1ll1 s PRO 253 CO -0.08 -2.39 1.06 -0.51 0.04 0.00 0.00 177.00 175.12 1ll1 s ASP 254 N -4.04 6.16 0.00 6.66 1.01 -1.26 -3.80 116.67 121.40 1ll1 s ASP 254 Ca 0.65 1.99 0.00 0.00 0.71 0.00 0.00 52.55 55.91 1ll1 s ASP 254 Cb -0.14 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.23 1ll1 s ASP 254 CO 0.54 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.62 1ll1 n GLY 255 N -0.15 0.54 3.87 0.21 0.00 -1.00 -4.89 105.19 103.76 1ll1 n GLY 255 Ca 0.10 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 1ll1 n GLY 255 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ll1 s LEU 256 N 0.00 4.25 0.16 0.99 1.43 -1.25 -4.82 118.68 119.43 1ll1 s LEU 256 Ca 0.00 0.90 0.06 0.00 -1.03 0.00 0.00 54.13 54.06 1ll1 s LEU 256 Cb 0.00 -3.44 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 1ll1 s LEU 256 CO 0.00 0.02 0.06 -0.54 0.23 0.00 0.00 176.35 176.12 1ll1 s LYS 257 N -2.46 2.65 0.02 1.70 1.02 -1.26 -0.59 119.74 120.82 1ll1 s LYS 257 Ca 0.42 -0.97 -0.30 0.00 0.02 0.00 0.00 55.97 55.14 1ll1 s LYS 257 Cb -0.13 -2.51 -0.08 0.00 -0.52 0.00 0.00 37.83 34.59 1ll1 s LYS 257 CO 0.21 0.48 1.87 -0.51 -0.92 0.00 0.00 175.35 176.47 1ll1 s LEU 258 N -2.96 4.40 0.15 3.17 1.43 -1.26 -4.99 118.68 118.62 1ll1 s LEU 258 Ca 0.29 2.56 0.05 0.00 -1.03 0.00 0.00 54.13 56.00 1ll1 s LEU 258 Cb -0.10 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 1ll1 s LEU 258 CO 0.21 -1.01 0.12 -0.13 0.23 0.00 0.00 176.35 175.76 1ll1 s ARG 259 N 4.20 2.87 0.29 1.70 3.00 -1.26 -4.96 118.95 124.78 1ll1 s ARG 259 Ca 0.84 -0.84 -0.29 0.00 0.00 0.00 0.00 55.73 55.43 1ll1 s ARG 259 Cb -0.40 -2.65 -0.10 0.00 0.00 0.00 0.00 34.95 31.80 1ll1 s ARG 259 CO 0.38 0.50 1.34 -0.51 0.00 0.00 0.00 175.30 177.00 1ll1 s ASP 260 N -2.95 6.77 0.46 0.23 1.01 -1.26 -4.81 116.67 116.12 1ll1 s ASP 260 Ca 0.30 2.63 0.04 0.00 0.71 0.00 0.00 52.55 56.23 1ll1 s ASP 260 Cb -0.10 -2.64 0.07 0.00 1.01 0.00 0.00 42.92 41.26 1ll1 s ASP 260 CO 0.23 -0.57 0.56 0.18 0.21 0.00 0.00 175.17 175.78 1ll1 n LEU 261 N 1.50 0.00 -0.00 1.23 4.77 0.10 -4.63 117.00 119.97 1ll1 n LEU 261 Ca 0.03 -1.53 -0.13 0.00 -0.03 0.00 0.00 56.01 54.35 1ll1 n LEU 261 Cb 0.42 -0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 1ll1 n LEU 261 CO 0.59 -0.70 0.63 1.23 -1.33 0.00 0.00 177.39 177.81 1ll1 h GLY 262 N -0.09 -0.03 -1.98 -0.72 0.00 -1.96 -3.25 103.07 95.03 1ll1 h GLY 262 Ca -0.19 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1ll1 h GLY 262 CO 0.24 -0.01 0.00 2.09 0.00 0.00 0.00 176.54 178.86 1ll1 n ASP 263 N -4.88 2.94 -3.64 0.19 5.68 -1.26 -4.87 116.55 110.72 1ll1 n ASP 263 Ca -0.08 -2.23 -0.05 0.00 -0.50 0.00 0.00 54.79 51.92 1ll1 n ASP 263 Cb 0.25 -0.43 -0.07 0.00 -1.14 0.00 0.00 41.12 39.73 1ll1 n ASP 263 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 1ll1 s ILE 264 N -1.68 0.00 -0.03 2.12 1.10 -1.23 -5.15 121.20 116.33 1ll1 s ILE 264 Ca 0.30 0.00 -0.01 0.00 -0.51 0.00 0.00 60.65 60.43 1ll1 s ILE 264 Cb 0.19 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.76 1ll1 s ILE 264 CO 0.15 0.00 0.05 -1.61 -2.11 0.00 0.00 174.94 171.42 1ll1 s GLU 265 N 1.43 3.01 0.52 3.50 2.02 -1.26 0.01 118.70 127.94 1ll1 s GLU 265 Ca -0.09 -0.47 0.31 0.00 0.02 0.00 0.00 54.97 54.74 1ll1 s GLU 265 Cb -0.04 -2.83 1.33 0.00 0.10 0.00 0.00 34.13 32.69 1ll1 s GLU 265 CO -0.17 0.66 1.98 -0.84 0.02 0.00 0.00 175.26 176.92 1ll1 h ILE 266 N 3.55 0.26 0.00 -1.63 3.07 -1.93 -1.54 117.51 119.29 1ll1 h ILE 266 Ca -0.50 -0.66 0.00 0.00 1.55 0.00 0.00 64.86 65.25 1ll1 h ILE 266 Cb 1.19 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 39.26 1ll1 h ILE 266 CO 0.59 0.09 0.00 0.77 -1.05 0.00 0.00 178.15 178.55 1ll1 h SER 267 N 0.00 0.00 0.79 2.16 4.64 -1.99 0.02 113.55 119.17 1ll1 h SER 267 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 1ll1 h SER 267 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1ll1 h SER 267 CO 0.01 0.00 -1.21 -0.33 -0.87 0.00 0.00 176.83 174.43 1ll1 h GLU 268 N 0.00 0.09 -0.29 4.77 5.08 -1.69 -2.48 114.58 120.05 1ll1 h GLU 268 Ca 0.00 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.05 1ll1 h GLU 268 Cb 0.48 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1ll1 h GLU 268 CO 0.00 1.00 -0.45 0.52 -1.00 0.00 0.00 179.01 179.08 1ll1 h MET 269 N 0.02 0.75 -0.37 2.33 2.86 -1.02 -1.15 114.93 118.35 1ll1 h MET 269 Ca -0.10 -0.42 -0.08 0.00 -2.06 0.00 0.00 59.70 57.04 1ll1 h MET 269 Cb 1.87 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 33.54 1ll1 h MET 269 CO 0.14 1.04 -0.11 0.28 1.06 0.00 0.00 176.91 179.33 1ll1 h VAL 270 N 0.60 1.25 -0.53 -2.22 2.07 -1.11 -1.78 116.25 114.53 1ll1 h VAL 270 Ca 0.04 -1.09 -0.11 0.00 0.82 0.00 0.00 66.70 66.36 1ll1 h VAL 270 Cb 1.01 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1ll1 h VAL 270 CO 0.10 0.37 -0.10 -0.09 0.02 0.00 0.00 177.57 177.86 1ll1 h ARG 271 N 0.60 1.00 -0.24 1.57 2.43 -1.12 -1.86 114.38 116.76 1ll1 h ARG 271 Ca 0.11 -0.36 -0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1ll1 h ARG 271 Cb 0.53 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1ll1 h ARG 271 CO 0.03 1.04 0.14 0.52 -1.51 0.00 0.00 179.97 180.20 1ll1 h MET 272 N 0.89 0.32 -0.23 0.20 2.86 -0.74 -1.97 114.93 116.26 1ll1 h MET 272 Ca 0.14 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1ll1 h MET 272 Cb 0.66 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1ll1 h MET 272 CO 0.05 0.26 0.09 -0.09 1.06 0.00 0.00 176.91 178.28 1ll1 h ARG 273 N 0.29 0.20 -0.48 1.72 2.43 -1.18 -1.47 114.38 115.89 1ll1 h ARG 273 Ca 0.08 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1ll1 h ARG 273 Cb 0.02 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 1ll1 h ARG 273 CO -0.02 0.13 0.32 0.93 -1.51 0.00 0.00 179.97 179.83 1ll1 h GLU 274 N 0.21 0.62 -0.00 0.20 4.39 -1.15 -0.67 114.58 118.18 1ll1 h GLU 274 Ca 0.10 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.57 1ll1 h GLU 274 Cb 0.05 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 1ll1 h GLU 274 CO -0.09 0.41 -0.86 0.00 -1.16 0.00 0.00 179.01 177.31 1ll1 h ARG 275 N 0.63 0.20 -0.15 2.33 3.08 -0.92 -2.53 114.38 117.03 1ll1 h ARG 275 Ca 0.18 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1ll1 h ARG 275 Cb -0.04 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1ll1 h ARG 275 CO -0.04 0.94 -0.19 0.82 -1.07 0.00 0.00 179.97 180.43 1ll1 h ILE 276 N 0.11 1.35 -0.22 2.04 2.04 -0.67 -2.83 117.51 119.34 1ll1 h ILE 276 Ca -0.04 -1.39 -0.01 0.00 1.00 0.00 0.00 64.86 64.42 1ll1 h ILE 276 Cb 1.48 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 1ll1 h ILE 276 CO 0.13 0.41 0.07 -0.07 0.00 0.00 0.00 178.15 178.70 1ll1 h LEU 277 N 0.02 0.27 0.23 1.44 3.38 -1.16 -1.93 115.31 117.56 1ll1 h LEU 277 Ca 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1ll1 h LEU 277 Cb 0.74 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1ll1 h LEU 277 CO 0.05 0.26 -0.11 0.44 0.09 0.00 0.00 178.44 179.17 1ll1 h ASP 278 N 0.31 -0.27 -0.26 -0.43 5.19 -1.39 -2.40 116.42 117.17 1ll1 h ASP 278 Ca 0.08 -0.13 0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1ll1 h ASP 278 Cb 0.09 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.63 1ll1 h ASP 278 CO -0.01 -0.02 0.06 0.28 -3.12 0.00 0.00 179.24 176.43 1ll1 h SER 279 N -0.51 0.02 -0.70 6.45 0.02 -1.23 -0.22 113.55 117.39 1ll1 h SER 279 Ca -0.03 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.07 1ll1 h SER 279 Cb 0.38 0.05 -0.08 0.00 0.14 0.00 0.00 62.40 62.89 1ll1 h SER 279 CO 0.05 0.05 0.28 0.40 -1.14 0.00 0.00 176.83 176.47 1ll1 h ILE 280 N 0.16 0.73 0.00 3.27 2.04 -1.35 0.16 117.51 122.53 1ll1 h ILE 280 Ca 0.12 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1ll1 h ILE 280 Cb 0.12 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 1ll1 h ILE 280 CO -0.16 0.08 0.00 1.41 0.00 0.00 0.00 178.15 179.49 1ll1 n HIS 281 N -4.97 0.77 0.07 1.37 8.25 -0.82 -3.00 115.22 116.88 1ll1 n HIS 281 Ca 0.12 0.23 0.11 0.00 -0.26 0.00 0.00 57.72 57.92 1ll1 n HIS 281 Cb 0.34 -0.88 -0.05 0.00 1.12 0.00 0.00 29.99 30.51 1ll1 n HIS 281 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ll1 n LEU 282 N -2.14 0.60 0.00 2.41 4.77 -0.16 -4.97 117.00 117.51 1ll1 n LEU 282 Ca 0.05 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1ll1 n LEU 282 Cb 0.39 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1ll1 n LEU 282 CO 0.28 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 1ll1 n GLY 283 N 1.22 1.04 3.14 -0.72 0.00 0.40 -5.03 105.19 105.24 1ll1 n GLY 283 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1ll1 n GLY 283 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ll1 s TYR 284 N -2.85 0.70 0.31 1.61 -0.85 -1.17 -1.47 117.35 113.64 1ll1 s TYR 284 Ca 0.00 -1.14 0.11 0.00 -0.52 0.00 0.00 57.07 55.52 1ll1 s TYR 284 Cb 0.00 -0.42 -0.05 0.00 0.38 0.00 0.00 41.96 41.87 1ll1 s TYR 284 CO 0.00 -0.48 -0.12 0.54 -1.52 0.00 0.00 175.55 173.97 1ll1 s VAL 285 N -4.00 2.52 -0.32 -3.49 0.11 0.67 -4.49 120.40 111.40 1ll1 s VAL 285 Ca 0.17 -2.23 -0.06 0.00 -2.93 0.00 0.00 61.98 56.93 1ll1 s VAL 285 Cb 0.07 -2.53 0.03 0.00 -1.53 0.00 0.00 36.38 32.42 1ll1 s VAL 285 CO -0.03 -0.31 0.08 -0.63 -3.33 0.00 0.00 175.10 170.89 1ll1 s ILE 286 N -2.52 3.70 0.96 7.04 1.01 -1.26 -0.55 121.20 129.57 1ll1 s ILE 286 Ca 0.32 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 1ll1 s ILE 286 Cb -0.02 -3.05 0.16 0.00 0.01 0.00 0.00 42.46 39.56 1ll1 s ILE 286 CO 0.17 -0.10 1.09 -0.44 0.00 0.00 0.00 174.94 175.65 1ll1 s SER 287 N 1.41 2.91 0.31 3.58 0.01 0.05 -4.54 113.70 117.43 1ll1 s SER 287 Ca -0.01 1.46 0.04 0.00 1.31 0.00 0.00 55.95 58.75 1ll1 s SER 287 Cb -0.19 -2.13 0.67 0.00 0.21 0.00 0.00 66.02 64.57 1ll1 s SER 287 CO 0.02 -2.99 1.84 -0.33 0.41 0.00 0.00 173.24 172.18 1ll1 h GLU 288 N -1.79 0.84 -0.99 12.44 5.08 -1.82 -1.16 114.58 127.18 1ll1 h GLU 288 Ca -0.52 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.78 1ll1 h GLU 288 Cb 1.30 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1ll1 h GLU 288 CO 0.54 0.56 0.01 -0.40 -1.00 0.00 0.00 179.01 178.72 1ll1 n ASP 289 N -4.63 1.82 0.00 1.42 5.75 -1.26 -4.84 116.55 114.82 1ll1 n ASP 289 Ca 0.19 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1ll1 n ASP 289 Cb 0.43 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1ll1 n ASP 289 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ll1 n GLY 290 N 0.16 0.40 3.88 6.12 0.00 -0.44 -4.99 105.19 110.33 1ll1 n GLY 290 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1ll1 n GLY 290 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ll1 s SER 291 N -2.38 6.30 -0.15 1.61 1.04 -1.26 -4.79 113.70 114.07 1ll1 s SER 291 Ca 0.00 1.28 -0.15 0.00 0.48 0.00 0.00 55.95 57.56 1ll1 s SER 291 Cb 0.00 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 1ll1 s SER 291 CO 0.00 -0.72 0.36 -1.00 0.98 0.00 0.00 173.24 172.86 1ll1 s HIS 292 N -2.94 3.47 -0.26 5.02 3.76 -1.26 -0.77 115.29 122.31 1ll1 s HIS 292 Ca 0.53 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 56.13 1ll1 s HIS 292 Cb -0.11 -2.42 0.04 0.00 1.11 0.00 0.00 32.58 31.21 1ll1 s HIS 292 CO 0.47 0.20 -0.07 0.21 -0.85 0.00 0.00 174.74 174.70 1ll1 s LYS 293 N 0.57 2.53 0.29 1.40 2.20 0.29 -4.91 119.74 122.11 1ll1 s LYS 293 Ca 0.20 -1.17 -0.30 0.00 -0.36 0.00 0.00 55.97 54.34 1ll1 s LYS 293 Cb -0.14 -2.97 -0.11 0.00 -1.51 0.00 0.00 37.83 33.11 1ll1 s LYS 293 CO 0.06 -0.50 1.46 0.99 -0.36 0.00 0.00 175.35 177.00 1ll1 s THR 294 N 1.23 2.44 -1.31 3.43 2.01 -1.26 -0.24 115.64 121.94 1ll1 s THR 294 Ca -0.04 0.39 -0.10 0.00 0.31 0.00 0.00 61.69 62.25 1ll1 s THR 294 Cb -0.18 -3.25 0.15 0.00 0.01 0.00 0.00 72.50 69.23 1ll1 s THR 294 CO -0.04 0.07 1.93 0.18 -0.69 0.00 0.00 174.62 176.07 1ll1 n LEU 295 N 1.79 6.71 -4.68 4.42 4.77 -0.54 -4.84 117.00 124.62 1ll1 n LEU 295 Ca 0.05 -4.58 -0.30 0.00 -0.03 0.00 0.00 56.01 51.15 1ll1 n LEU 295 Cb 0.40 -1.50 0.15 0.00 -2.33 0.00 0.00 43.42 40.14 1ll1 n LEU 295 CO 0.61 1.35 0.66 1.51 -1.33 0.00 0.00 177.39 180.20 1ll1 s ASP 296 N 1.17 3.20 0.28 -1.43 -4.77 -1.26 -4.55 116.67 109.31 1ll1 s ASP 296 Ca 0.41 1.88 -0.01 0.00 -3.30 0.00 0.00 52.55 51.52 1ll1 s ASP 296 Cb 0.10 -2.45 0.47 0.00 -1.09 0.00 0.00 42.92 39.96 1ll1 s ASP 296 CO -0.01 -2.87 1.89 -0.33 0.70 0.00 0.00 175.17 174.55 1ll1 h GLU 297 N -1.71 1.07 -0.25 2.11 5.08 -1.99 0.57 114.58 119.46 1ll1 h GLU 297 Ca -0.47 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 57.76 1ll1 h GLU 297 Cb 1.27 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1ll1 h GLU 297 CO 0.48 0.71 -0.10 1.25 -1.00 0.00 0.00 179.01 180.34 1ll1 h LEU 298 N 1.10 0.53 -1.11 1.33 5.85 -2.00 -3.37 115.31 117.64 1ll1 h LEU 298 Ca 0.42 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1ll1 h LEU 298 Cb 0.20 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1ll1 h LEU 298 CO -0.17 0.81 -0.02 1.41 -0.34 0.00 0.00 178.44 180.13 1ll1 n HIS 299 N -4.50 0.00 -0.00 1.25 8.25 -1.16 -4.80 115.22 114.25 1ll1 n HIS 299 Ca -0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.28 1ll1 n HIS 299 Cb 0.34 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.36 1ll1 n HIS 299 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ll1 h GLY 300 N 1.14 -0.99 0.78 -1.41 0.00 -0.02 -0.56 103.07 102.01 1ll1 h GLY 300 Ca 0.00 0.64 0.08 0.00 0.00 0.00 0.00 47.33 48.05 1ll1 h GLY 300 CO 0.00 -0.21 0.60 -0.84 0.00 0.00 0.00 176.54 176.09 1ll1 h THR 301 N -0.57 1.04 -0.19 4.70 2.02 -1.85 -1.08 112.91 116.98 1ll1 h THR 301 Ca 0.04 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1ll1 h THR 301 Cb 0.67 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1ll1 h THR 301 CO -0.43 0.19 0.01 -0.78 0.37 0.00 0.00 175.52 174.88 1ll1 h ASP 302 N 1.02 0.32 -0.90 4.18 3.58 -1.69 0.47 116.42 123.41 1ll1 h ASP 302 Ca 0.41 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1ll1 h ASP 302 Cb 0.26 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.18 1ll1 h ASP 302 CO -0.17 0.54 0.51 0.40 -2.88 0.00 0.00 179.24 177.64 1ll1 h ILE 303 N 0.10 1.26 -0.11 2.25 2.04 -0.64 -1.86 117.51 120.55 1ll1 h ILE 303 Ca 0.06 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1ll1 h ILE 303 Cb 0.36 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1ll1 h ILE 303 CO 0.01 0.28 0.01 -0.07 0.00 0.00 0.00 178.15 178.38 1ll1 h LEU 304 N 1.25 0.18 -1.54 1.44 3.38 -1.08 -2.64 115.31 116.30 1ll1 h LEU 304 Ca 0.32 -0.27 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1ll1 h LEU 304 Cb -0.00 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1ll1 h LEU 304 CO -0.05 0.40 0.43 1.23 0.09 0.00 0.00 178.44 180.54 1ll1 h GLY 305 N -0.05 0.73 1.42 0.83 0.00 -0.56 0.31 103.07 105.74 1ll1 h GLY 305 Ca 0.03 -0.22 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 1ll1 h GLY 305 CO 0.00 0.14 -0.48 0.00 0.00 0.00 0.00 176.54 176.20 1ll1 h ALA 306 N 1.67 0.72 0.00 3.60 0.00 -1.19 -2.38 119.26 121.68 1ll1 h ALA 306 Ca 0.30 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ll1 h ALA 306 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1ll1 h ALA 306 CO -0.09 0.67 -1.03 1.47 0.00 0.00 0.00 179.25 180.27 1ll1 n LEU 307 N -4.00 0.63 -0.08 0.00 -0.00 -0.62 -0.62 117.00 112.32 1ll1 n LEU 307 Ca -0.03 0.11 -0.13 0.00 -0.00 0.00 0.00 56.01 55.96 1ll1 n LEU 307 Cb 0.57 -0.10 -0.10 0.00 -0.00 0.00 0.00 43.42 43.79 1ll1 n LEU 307 CO 0.47 -0.03 0.04 0.58 -0.00 0.00 0.00 177.39 178.45 1ll1 h VAL 308 N 0.00 1.18 -0.20 1.47 2.07 -0.45 -3.32 116.25 117.01 1ll1 h VAL 308 Ca 0.00 -2.02 -0.04 0.00 0.82 0.00 0.00 66.70 65.46 1ll1 h VAL 308 Cb 0.82 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1ll1 h VAL 308 CO 0.00 0.40 -0.04 -0.08 0.02 0.00 0.00 177.57 177.87 1ll1 h GLU 309 N -1.00 0.38 -2.60 1.57 4.81 -1.62 -2.46 114.58 113.66 1ll1 h GLU 309 Ca -0.09 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 1ll1 h GLU 309 Cb 0.90 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1ll1 h GLU 309 CO -0.06 0.62 0.00 0.45 -0.73 0.00 0.00 179.01 179.30 1ll1 n SER 310 N -4.64 -1.73 -4.99 1.04 2.88 -0.76 -3.90 113.62 101.53 1ll1 n SER 310 Ca -0.05 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.28 1ll1 n SER 310 Cb 0.27 -0.87 0.04 0.00 -0.75 0.00 0.00 64.21 62.90 1ll1 n SER 310 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1ll1 s SER 311 N -0.24 5.00 0.54 -3.46 1.04 0.21 -4.93 113.70 111.86 1ll1 s SER 311 Ca 0.00 -0.93 0.23 0.00 0.48 0.00 0.00 55.95 55.73 1ll1 s SER 311 Cb 0.00 0.25 1.48 0.00 0.10 0.00 0.00 66.02 67.85 1ll1 s SER 311 CO 0.00 -1.22 2.15 0.22 0.98 0.00 0.00 173.24 175.37 1ll1 h TYR 312 N 0.39 0.00 -0.00 5.02 3.20 0.09 -2.47 116.97 123.20 1ll1 h TYR 312 Ca -0.33 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.54 1ll1 h TYR 312 Cb 1.29 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.56 1ll1 h TYR 312 CO 0.58 0.05 0.00 0.39 -1.64 0.00 0.00 178.16 177.55 1ll1 n GLU 313 N -4.07 1.00 -1.76 1.82 1.02 -1.26 -4.89 120.64 112.49 1ll1 n GLU 313 Ca -0.03 -0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.70 1ll1 n GLU 313 Cb 0.14 -1.01 -0.01 0.00 -0.02 0.00 0.00 31.44 30.53 1ll1 n GLU 313 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1ll1 s SER 314 N -1.02 6.35 0.61 1.62 0.15 -0.93 -4.87 113.70 115.60 1ll1 s SER 314 Ca 0.01 2.97 0.39 0.00 0.70 0.00 0.00 55.95 60.02 1ll1 s SER 314 Cb 0.01 -2.64 1.88 0.00 -1.71 0.00 0.00 66.02 63.56 1ll1 s SER 314 CO 0.01 -0.93 2.18 1.62 1.20 0.00 0.00 173.24 177.32 1ll1 h VAL 315 N 3.36 0.03 -0.65 4.45 3.04 -1.88 -3.39 116.25 121.21 1ll1 h VAL 315 Ca -0.47 -0.27 0.01 0.00 -1.01 0.00 0.00 66.70 64.96 1ll1 h VAL 315 Cb 1.22 1.26 -0.18 0.00 -2.01 0.00 0.00 31.29 31.58 1ll1 h VAL 315 CO 0.79 0.01 -0.31 0.21 -1.01 0.00 0.00 177.57 177.26 1ll1 s ASN 316 N -5.46 -1.00 0.06 3.17 3.04 -1.26 -2.55 114.94 110.94 1ll1 s ASN 316 Ca -0.02 -0.58 -0.26 0.00 0.04 0.00 0.00 52.86 52.04 1ll1 s ASN 316 Cb 0.11 1.28 -0.17 0.00 -1.54 0.00 0.00 41.25 40.94 1ll1 s ASN 316 CO 0.48 -0.10 1.60 0.45 -3.04 0.00 0.00 177.10 176.49 1ll1 h HIS 317 N 6.13 -0.25 -1.06 0.43 3.86 -1.87 -1.62 115.15 120.77 1ll1 h HIS 317 Ca 0.01 -0.01 0.29 0.00 -1.16 0.00 0.00 60.37 59.51 1ll1 h HIS 317 Cb 1.20 0.08 -0.12 0.00 1.06 0.00 0.00 27.41 29.63 1ll1 h HIS 317 CO 0.03 -0.08 0.65 1.49 0.86 0.00 0.00 177.93 180.89 1ll1 h GLU 318 N -0.36 0.39 0.02 2.45 4.57 -1.97 0.20 114.58 119.88 1ll1 h GLU 318 Ca -0.03 -0.02 -0.31 0.00 -1.18 0.00 0.00 59.36 57.81 1ll1 h GLU 318 Cb 0.28 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.74 1ll1 h GLU 318 CO 0.04 0.26 -1.73 0.98 -1.18 0.00 0.00 179.01 177.38 1ll1 n TYR 319 N -4.78 0.75 0.40 0.92 9.36 -1.18 -4.53 117.16 118.10 1ll1 n TYR 319 Ca 0.28 0.29 0.12 0.00 3.32 0.00 0.00 57.90 61.91 1ll1 n TYR 319 Cb 0.92 -1.08 0.18 0.00 -0.63 0.00 0.00 39.34 38.73 1ll1 n TYR 319 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1ll1 h TYR 320 N -0.82 0.00 0.00 2.98 0.05 -1.24 -3.45 116.97 114.49 1ll1 h TYR 320 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.32 1ll1 h TYR 320 Cb 1.50 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.24 1ll1 h TYR 320 CO 0.05 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.57 1ll1 n GLY 321 N 1.25 0.34 2.68 3.88 0.00 0.68 -4.43 105.19 109.59 1ll1 n GLY 321 Ca 0.03 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 1ll1 n GLY 321 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ll1 n ASN 322 N 4.75 -1.39 -0.07 1.61 5.15 -1.26 -4.79 115.26 119.27 1ll1 n ASN 322 Ca 0.00 -2.77 -0.07 0.00 -0.60 0.00 0.00 54.58 51.15 1ll1 n ASN 322 Cb 0.00 0.90 -0.05 0.00 -0.53 0.00 0.00 39.78 40.10 1ll1 n ASN 322 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1ll1 h LEU 323 N 2.39 -0.91 -0.21 1.20 5.85 -1.77 -0.83 115.31 121.03 1ll1 h LEU 323 Ca -0.20 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1ll1 h LEU 323 Cb 1.23 0.37 -0.06 0.00 0.37 0.00 0.00 40.66 42.57 1ll1 h LEU 323 CO 0.08 -0.20 -0.17 -0.74 -0.34 0.00 0.00 178.44 177.07 1ll1 h HIS 324 N -0.20 -0.44 -0.66 1.25 2.76 -1.62 -2.26 115.15 113.98 1ll1 h HIS 324 Ca 0.03 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.22 1ll1 h HIS 324 Cb 0.29 0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 1ll1 h HIS 324 CO -0.66 -0.25 0.34 -0.91 -1.30 0.00 0.00 177.93 175.16 1ll1 h ASN 325 N -0.18 0.82 0.42 3.26 2.35 -1.65 -2.11 115.58 118.50 1ll1 h ASN 325 Ca 0.12 -0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1ll1 h ASN 325 Cb 0.36 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1ll1 h ASN 325 CO -0.31 0.68 -0.26 -0.50 -1.65 0.00 0.00 177.43 175.38 1ll1 h TRP 326 N 0.93 0.00 -0.38 1.19 -0.00 -0.71 -2.46 115.95 114.52 1ll1 h TRP 326 Ca 0.23 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.99 1ll1 h TRP 326 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.20 1ll1 h TRP 326 CO 0.01 0.26 -0.31 0.78 -0.00 0.00 0.00 178.44 179.18 1ll1 h GLY 327 N 1.11 0.91 0.82 1.49 0.00 -0.82 -0.16 103.07 106.41 1ll1 h GLY 327 Ca -0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.47 1ll1 h GLY 327 CO 0.03 0.77 0.03 0.45 0.00 0.00 0.00 176.54 177.82 1ll1 h HIS 328 N 0.71 0.15 -0.22 5.60 3.86 -1.38 -1.22 115.15 122.65 1ll1 h HIS 328 Ca 0.08 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1ll1 h HIS 328 Cb 0.86 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 1ll1 h HIS 328 CO 0.05 0.31 0.11 0.28 0.86 0.00 0.00 177.93 179.54 1ll1 h VAL 329 N -0.05 1.13 -0.07 2.45 2.07 -1.36 -0.56 116.25 119.87 1ll1 h VAL 329 Ca 0.03 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 1ll1 h VAL 329 Cb 0.23 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1ll1 h VAL 329 CO -0.00 0.13 -0.52 0.71 0.02 0.00 0.00 177.57 177.91 1ll1 h THR 330 N 0.23 1.36 0.00 2.57 1.35 -1.04 -2.30 112.91 115.07 1ll1 h THR 330 Ca 0.08 -1.78 -0.18 0.00 -0.55 0.00 0.00 66.41 63.97 1ll1 h THR 330 Cb 0.11 1.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 1ll1 h THR 330 CO -0.01 0.53 -0.84 0.24 -0.25 0.00 0.00 175.52 175.18 1ll1 h MET 331 N 0.15 0.00 0.00 4.72 2.86 -1.12 -2.33 114.93 119.21 1ll1 h MET 331 Ca 0.00 -0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1ll1 h MET 331 Cb 0.97 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 1ll1 h MET 331 CO 0.08 0.85 -0.07 0.00 1.06 0.00 0.00 176.91 178.82 1ll1 h ALA 332 N 1.15 0.96 -0.22 6.32 0.00 -0.97 -3.25 119.26 123.25 1ll1 h ALA 332 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ll1 h ALA 332 Cb 1.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1ll1 h ALA 332 CO 0.11 0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.99 1ll1 n ARG 333 N -3.12 2.83 -0.03 0.00 1.74 -0.88 0.62 116.66 117.82 1ll1 n ARG 333 Ca 0.03 -2.01 0.21 0.00 -0.77 0.00 0.00 57.85 55.32 1ll1 n ARG 333 Cb 0.53 -1.27 0.69 0.00 -1.02 0.00 0.00 32.46 31.39 1ll1 n ARG 333 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1ll1 h ILE 334 N 1.30 0.71 0.00 0.55 2.10 -1.45 -0.11 117.51 120.61 1ll1 h ILE 334 Ca 0.00 -0.01 -0.11 0.00 1.08 0.00 0.00 64.86 65.83 1ll1 h ILE 334 Cb 0.76 0.69 -0.02 0.00 -1.09 0.00 0.00 36.82 37.16 1ll1 h ILE 334 CO 0.02 0.00 -0.51 1.12 -1.08 0.00 0.00 178.15 177.71 1ll1 h HIS 335 N 0.02 0.00 -1.49 2.19 2.07 -1.86 -3.38 115.15 112.70 1ll1 h HIS 335 Ca 0.28 0.00 -0.44 0.00 -2.85 0.00 0.00 60.37 57.36 1ll1 h HIS 335 Cb 1.10 0.00 -0.33 0.00 2.57 0.00 0.00 27.41 30.75 1ll1 h HIS 335 CO -0.00 0.51 -0.99 -3.47 -3.07 0.00 0.00 177.93 170.91 1ll1 n ASP 336 N -3.41 -0.21 -0.33 3.10 2.03 -0.19 -5.03 116.55 112.51 1ll1 n ASP 336 Ca 0.01 -3.06 0.16 0.00 0.52 0.00 0.00 54.79 52.42 1ll1 n ASP 336 Cb 0.65 0.01 0.39 0.00 -0.72 0.00 0.00 41.12 41.45 1ll1 n ASP 336 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1ll1 h PRO 337 N 3.37 0.60 -0.38 -0.67 0.13 -1.38 -2.31 132.00 131.36 1ll1 h PRO 337 Ca 0.04 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1ll1 h PRO 337 Cb 0.97 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1ll1 h PRO 337 CO 0.41 0.40 0.00 -0.40 -0.23 0.00 0.00 178.00 178.19 1ll1 n ASP 338 N -4.74 4.54 0.00 1.44 5.68 -1.26 -4.09 116.55 118.11 1ll1 n ASP 338 Ca 0.24 -3.01 0.00 0.00 -0.50 0.00 0.00 54.79 51.52 1ll1 n ASP 338 Cb 0.68 -0.60 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 1ll1 n ASP 338 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ll1 n GLY 339 N -0.13 0.00 0.32 6.12 0.00 -0.87 -4.84 105.19 105.79 1ll1 n GLY 339 Ca 0.24 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.35 1ll1 n GLY 339 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ll1 h ARG 340 N 0.00 0.38 -0.00 1.61 0.11 -1.93 -1.64 114.38 112.90 1ll1 h ARG 340 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1ll1 h ARG 340 Cb 0.58 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1ll1 h ARG 340 CO 0.00 0.25 -0.20 1.19 0.10 0.00 0.00 179.97 181.31 1ll1 n PHE 341 N -4.48 0.00 -3.85 4.08 3.72 -1.26 -4.96 117.46 110.72 1ll1 n PHE 341 Ca 0.05 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.17 1ll1 n PHE 341 Cb 0.21 -0.25 0.04 0.00 -0.94 0.00 0.00 39.48 38.54 1ll1 n PHE 341 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1ll1 n HIS 342 N -1.14 -2.37 -3.77 1.38 8.25 -0.62 -4.97 115.22 111.98 1ll1 n HIS 342 Ca 0.11 0.92 -0.36 0.00 -0.26 0.00 0.00 57.72 58.12 1ll1 n HIS 342 Cb 0.31 -4.18 -0.07 0.00 1.12 0.00 0.00 29.99 27.17 1ll1 n HIS 342 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1ll1 s GLU 343 N -6.52 3.82 0.64 -0.41 0.41 -1.26 -5.08 118.70 110.30 1ll1 s GLU 343 Ca 0.60 -0.12 -0.18 0.00 -0.41 0.00 0.00 54.97 54.87 1ll1 s GLU 343 Cb -0.30 -3.30 -0.01 0.00 -1.78 0.00 0.00 34.13 28.74 1ll1 s GLU 343 CO 0.81 0.55 1.25 -1.21 -0.49 0.00 0.00 175.26 176.17 1ll1 s GLU 344 N -0.37 2.66 1.01 1.61 0.41 -1.26 -4.94 118.70 117.82 1ll1 s GLU 344 Ca 0.13 1.92 -0.12 0.00 -0.41 0.00 0.00 54.97 56.50 1ll1 s GLU 344 Cb -0.12 -1.88 0.20 0.00 -1.78 0.00 0.00 34.13 30.55 1ll1 s GLU 344 CO 0.02 -1.48 1.08 -1.25 -0.49 0.00 0.00 175.26 173.14 1ll1 s PRO 345 N -3.44 0.29 0.20 0.39 0.04 -1.26 -3.58 135.00 127.64 1ll1 s PRO 345 Ca 0.79 1.05 -0.03 0.00 0.04 0.00 0.00 61.00 62.85 1ll1 s PRO 345 Cb -0.33 -1.68 0.05 0.00 0.04 0.00 0.00 34.50 32.57 1ll1 s PRO 345 CO 0.38 -2.97 0.26 0.41 0.04 0.00 0.00 177.00 175.12 1ll1 n GLY 346 N 0.06 -1.35 0.29 0.56 0.00 0.20 -2.82 105.19 102.15 1ll1 n GLY 346 Ca 0.07 -1.65 0.18 0.00 0.00 0.00 0.00 46.02 44.61 1ll1 n GLY 346 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ll1 h VAL 347 N -1.22 0.22 0.00 1.61 2.07 -1.88 -2.79 116.25 114.27 1ll1 h VAL 347 Ca -0.09 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1ll1 h VAL 347 Cb 0.24 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1ll1 h VAL 347 CO 0.06 0.04 0.00 0.23 0.02 0.00 0.00 177.57 177.92 1ll1 n MET 348 N -3.31 0.06 0.12 1.57 2.81 -1.26 -2.21 117.12 114.90 1ll1 n MET 348 Ca -0.02 0.20 0.03 0.00 -1.81 0.00 0.00 57.70 56.10 1ll1 n MET 348 Cb 0.19 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.21 1ll1 n MET 348 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1ll1 h SER 349 N 0.00 0.00 -3.32 7.83 4.64 -1.71 -3.43 113.55 117.55 1ll1 h SER 349 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1ll1 h SER 349 Cb 0.25 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.19 1ll1 h SER 349 CO 0.00 0.47 -0.63 -0.62 -0.87 0.00 0.00 176.83 175.18 1ll1 s ASP 350 N -6.23 5.22 0.45 4.97 -1.08 -1.19 -1.39 116.67 117.41 1ll1 s ASP 350 Ca 0.02 0.09 0.26 0.00 -0.52 0.00 0.00 52.55 52.40 1ll1 s ASP 350 Cb 0.08 -1.43 0.61 0.00 -1.46 0.00 0.00 42.92 40.71 1ll1 s ASP 350 CO 0.76 0.33 1.70 0.71 0.52 0.00 0.00 175.17 179.20 1ll1 h THR 351 N 3.85 0.00 -0.01 1.71 1.35 -1.89 -1.49 112.91 116.43 1ll1 h THR 351 Ca -0.50 -0.84 0.00 0.00 -0.55 0.00 0.00 66.41 64.52 1ll1 h THR 351 Cb 1.19 1.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.44 1ll1 h THR 351 CO 0.56 0.00 -0.11 -1.54 -0.25 0.00 0.00 175.52 174.18 1ll1 n SER 352 N -3.03 0.67 0.00 5.36 3.41 -1.26 -3.41 113.62 115.36 1ll1 n SER 352 Ca 0.03 -0.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 1ll1 n SER 352 Cb 0.47 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1ll1 n SER 352 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ll1 n THR 353 N -0.75 0.00 0.05 6.66 -2.24 -1.16 -4.68 114.28 112.16 1ll1 n THR 353 Ca 0.15 -0.09 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1ll1 n THR 353 Cb 0.29 0.60 0.60 0.00 -2.10 0.00 0.00 70.33 69.72 1ll1 n THR 353 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ll1 h SER 354 N 0.00 0.13 0.60 3.42 4.64 -0.78 -2.00 113.55 119.56 1ll1 h SER 354 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ll1 h SER 354 Cb 0.00 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1ll1 h SER 354 CO 0.00 0.08 0.00 -0.07 -0.87 0.00 0.00 176.83 175.97 1ll1 h LEU 355 N 0.15 0.00 -1.14 5.97 3.38 -1.85 -2.32 115.31 119.50 1ll1 h LEU 355 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1ll1 h LEU 355 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1ll1 h LEU 355 CO -0.02 0.00 -0.25 0.03 0.09 0.00 0.00 178.44 178.28 1ll1 h ARG 356 N 0.00 0.00 -5.77 1.13 3.08 -1.26 -3.42 114.38 108.13 1ll1 h ARG 356 Ca 0.00 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.46 1ll1 h ARG 356 Cb 0.30 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 1ll1 h ARG 356 CO 0.00 0.25 0.19 0.34 -1.07 0.00 0.00 179.97 179.69 1ll1 s ASP 357 N -6.25 6.79 0.40 7.04 -1.08 -0.87 -4.78 116.67 117.91 1ll1 s ASP 357 Ca 0.00 0.96 0.14 0.00 -0.52 0.00 0.00 52.55 53.13 1ll1 s ASP 357 Cb 0.11 -2.38 0.99 0.00 -1.46 0.00 0.00 42.92 40.17 1ll1 s ASP 357 CO 0.64 -0.30 1.90 -0.65 0.52 0.00 0.00 175.17 177.29 1ll1 h PRO 358 N 7.37 0.48 0.00 4.34 0.11 -1.87 -0.67 132.00 141.77 1ll1 h PRO 358 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1ll1 h PRO 358 Cb 1.14 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ll1 h PRO 358 CO 0.79 0.32 0.00 0.44 -0.21 0.00 0.00 178.00 179.34 1ll1 n ILE 359 N -4.51 0.69 -0.29 4.15 -6.64 -1.26 -2.12 119.36 109.38 1ll1 n ILE 359 Ca 0.16 0.17 -0.04 0.00 -1.77 0.00 0.00 62.75 61.27 1ll1 n ILE 359 Cb 0.53 -0.91 0.07 0.00 -1.44 0.00 0.00 39.64 37.89 1ll1 n ILE 359 CO 0.00 0.00 0.00 0.15 -1.77 0.00 0.00 176.55 174.93 1ll1 h PHE 360 N 0.00 1.01 -0.12 4.28 3.04 -1.37 -1.32 116.94 122.47 1ll1 h PHE 360 Ca 0.00 0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.78 1ll1 h PHE 360 Cb 0.19 -0.34 -0.00 0.00 2.56 0.00 0.00 35.95 38.36 1ll1 h PHE 360 CO 0.00 0.66 -0.66 1.88 -2.02 0.00 0.00 178.31 178.17 1ll1 h TYR 361 N 1.07 0.63 -0.20 0.41 0.05 -1.60 -0.91 116.97 116.42 1ll1 h TYR 361 Ca 0.29 -0.26 -0.04 0.00 0.05 0.00 0.00 58.73 58.77 1ll1 h TYR 361 Cb -0.08 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.54 1ll1 h TYR 361 CO -0.01 1.01 -0.01 -0.91 -1.05 0.00 0.00 178.16 177.18 1ll1 h ASN 362 N 0.35 0.36 -0.03 3.88 4.21 -1.56 -0.91 115.58 121.88 1ll1 h ASN 362 Ca -0.02 -0.33 -0.00 0.00 1.21 0.00 0.00 56.30 57.17 1ll1 h ASN 362 Cb 1.23 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 38.33 1ll1 h ASN 362 CO 0.12 0.60 0.02 -0.25 -1.29 0.00 0.00 177.43 176.63 1ll1 h TRP 363 N 0.12 0.04 0.00 1.19 2.91 -1.23 -1.42 115.95 117.56 1ll1 h TRP 363 Ca 0.06 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.04 1ll1 h TRP 363 Cb 0.42 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.06 1ll1 h TRP 363 CO 0.04 0.08 -0.16 0.45 -1.03 0.00 0.00 178.44 177.82 1ll1 h HIS 364 N -0.02 0.00 0.00 2.65 3.86 -1.16 -0.53 115.15 119.96 1ll1 h HIS 364 Ca 0.01 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 1ll1 h HIS 364 Cb 0.05 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.51 1ll1 h HIS 364 CO -0.06 0.16 -0.44 -0.09 0.86 0.00 0.00 177.93 178.36 1ll1 h ARG 365 N 0.00 0.00 -0.08 2.45 9.65 -0.98 0.96 114.38 126.37 1ll1 h ARG 365 Ca -0.00 0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 1ll1 h ARG 365 Cb 0.68 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1ll1 h ARG 365 CO 0.02 0.44 -0.33 0.35 2.80 0.00 0.00 179.97 183.25 1ll1 h PHE 366 N 0.00 0.49 -0.37 2.20 3.57 -0.50 -2.17 116.94 120.17 1ll1 h PHE 366 Ca -0.00 -0.21 -0.05 0.00 3.53 0.00 0.00 57.97 61.24 1ll1 h PHE 366 Cb 1.26 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 1ll1 h PHE 366 CO 0.00 0.94 0.01 0.82 -2.23 0.00 0.00 178.31 177.85 1ll1 h ILE 367 N -0.10 1.20 0.00 1.41 1.08 -0.99 -2.18 117.51 117.93 1ll1 h ILE 367 Ca -0.02 -0.80 -0.09 0.00 -0.39 0.00 0.00 64.86 63.57 1ll1 h ILE 367 Cb 0.97 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 35.61 1ll1 h ILE 367 CO 0.07 0.28 -0.41 -0.78 -0.69 0.00 0.00 178.15 176.62 1ll1 h ASP 368 N 0.55 0.00 0.08 1.72 3.58 -0.74 -2.60 116.42 119.01 1ll1 h ASP 368 Ca 0.12 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 1ll1 h ASP 368 Cb 0.33 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1ll1 h ASP 368 CO 0.01 0.41 -0.22 0.78 -2.88 0.00 0.00 179.24 177.34 1ll1 h ASN 369 N 0.00 0.24 0.10 2.28 2.35 -0.72 0.10 115.58 119.93 1ll1 h ASN 369 Ca -0.00 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1ll1 h ASN 369 Cb 0.79 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.10 1ll1 h ASN 369 CO 0.05 0.47 -0.05 0.40 -1.65 0.00 0.00 177.43 176.66 1ll1 h ILE 370 N 0.23 1.02 -0.46 2.81 2.04 -1.38 0.62 117.51 122.38 1ll1 h ILE 370 Ca 0.04 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1ll1 h ILE 370 Cb 0.52 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1ll1 h ILE 370 CO 0.04 0.11 0.08 -0.26 0.00 0.00 0.00 178.15 178.11 1ll1 h PHE 371 N -0.33 0.73 -0.47 1.37 0.04 -1.45 -2.04 116.94 114.79 1ll1 h PHE 371 Ca -0.01 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.62 1ll1 h PHE 371 Cb 0.27 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 1ll1 h PHE 371 CO -0.01 0.64 -0.00 1.25 -0.60 0.00 0.00 178.31 179.59 1ll1 h HIS 372 N 0.68 0.84 -0.88 -0.55 2.76 -0.61 -1.08 115.15 116.30 1ll1 h HIS 372 Ca 0.15 -0.12 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 1ll1 h HIS 372 Cb 0.30 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 1ll1 h HIS 372 CO 0.01 0.77 0.52 1.49 -1.30 0.00 0.00 177.93 179.43 1ll1 h GLU 373 N 0.73 1.21 -0.20 5.26 4.57 -0.15 -1.71 114.58 124.29 1ll1 h GLU 373 Ca 0.14 -0.12 -0.10 0.00 -1.18 0.00 0.00 59.36 58.10 1ll1 h GLU 373 Cb 0.45 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 1ll1 h GLU 373 CO 0.02 0.86 -0.28 -0.92 -1.18 0.00 0.00 179.01 177.50 1ll1 h TYR 374 N 1.22 0.67 0.00 0.92 3.20 -1.11 -3.03 116.97 118.84 1ll1 h TYR 374 Ca 0.31 -0.22 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 1ll1 h TYR 374 Cb -0.03 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.11 1ll1 h TYR 374 CO 0.00 0.93 -0.02 0.87 -1.64 0.00 0.00 178.16 178.30 1ll1 h LYS 375 N 0.21 0.00 0.00 1.82 1.79 -0.86 -1.05 116.57 118.48 1ll1 h LYS 375 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1ll1 h LYS 375 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1ll1 h LYS 375 CO 0.07 0.02 0.00 0.09 -1.08 0.00 0.00 179.45 178.55 1ll1 n ASN 376 N -3.63 0.71 0.07 0.86 5.03 -0.67 -2.60 115.26 115.02 1ll1 n ASN 376 Ca -0.03 0.57 0.13 0.00 0.87 0.00 0.00 54.58 56.13 1ll1 n ASN 376 Cb 0.11 -0.76 0.40 0.00 -1.02 0.00 0.00 39.78 38.51 1ll1 n ASN 376 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1ll1 n THR 377 N -2.17 0.38 -2.99 3.41 -2.24 -0.40 -4.82 114.28 105.44 1ll1 n THR 377 Ca 0.05 -0.20 -0.36 0.00 -2.27 0.00 0.00 64.05 61.27 1ll1 n THR 377 Cb 0.40 -0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 68.14 1ll1 n THR 377 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ll1 s LEU 378 N -4.03 4.32 0.29 3.22 1.02 -1.07 -5.05 118.68 117.39 1ll1 s LEU 378 Ca 0.11 1.55 -0.29 0.00 0.02 0.00 0.00 54.13 55.52 1ll1 s LEU 378 Cb 0.14 -3.76 -0.10 0.00 0.02 0.00 0.00 46.19 42.50 1ll1 s LEU 378 CO 0.61 -0.02 1.15 -0.54 0.02 0.00 0.00 176.35 177.57 1ll1 s LYS 379 N -2.06 4.57 0.75 1.70 1.02 -1.26 -4.66 119.74 119.81 1ll1 s LYS 379 Ca 0.46 1.90 -0.15 0.00 0.02 0.00 0.00 55.97 58.20 1ll1 s LYS 379 Cb -0.17 -3.16 0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1ll1 s LYS 379 CO 0.22 0.12 1.16 -2.30 -0.92 0.00 0.00 175.35 173.63 1ll1 n PRO 380 N 1.09 0.48 -2.12 -1.68 -0.02 -1.26 -4.86 135.00 126.63 1ll1 n PRO 380 Ca -0.01 0.23 -0.41 0.00 -2.02 0.00 0.00 63.50 61.29 1ll1 n PRO 380 Cb 0.44 -2.40 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 1ll1 n PRO 380 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1ll1 s TYR 381 N -1.87 3.14 0.51 6.00 2.02 -1.26 -5.02 117.35 120.86 1ll1 s TYR 381 Ca 0.75 1.15 -0.04 0.00 -0.37 0.00 0.00 57.07 58.57 1ll1 s TYR 381 Cb -0.32 -3.70 -0.01 0.00 -0.40 0.00 0.00 41.96 37.52 1ll1 s TYR 381 CO 0.48 -2.22 0.79 0.16 -1.57 0.00 0.00 175.55 173.20 1ll1 s ASP 382 N 0.27 5.88 0.42 2.29 -4.77 -1.26 -4.94 116.67 114.55 1ll1 s ASP 382 Ca 0.57 0.64 0.17 0.00 -3.30 0.00 0.00 52.55 50.64 1ll1 s ASP 382 Cb -0.39 -1.83 1.07 0.00 -1.09 0.00 0.00 42.92 40.69 1ll1 s ASP 382 CO 0.42 -0.79 1.87 -0.74 0.70 0.00 0.00 175.17 176.62 1ll1 h HIS 383 N 0.14 0.54 -0.33 2.11 -0.00 -2.00 -1.95 115.15 113.64 1ll1 h HIS 383 Ca -0.46 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 59.87 1ll1 h HIS 383 Cb 1.24 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.47 1ll1 h HIS 383 CO 0.50 0.15 -0.03 -0.44 -0.00 0.00 0.00 177.93 178.11 1ll1 h ASP 384 N 0.41 0.50 0.03 3.26 5.19 -1.93 -0.79 116.42 123.09 1ll1 h ASP 384 Ca 0.45 -0.10 -0.11 0.00 -0.62 0.00 0.00 57.03 56.65 1ll1 h ASP 384 Cb 1.11 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 40.50 1ll1 h ASP 384 CO -0.17 0.59 -0.46 0.58 -3.12 0.00 0.00 179.24 176.66 1ll1 h VAL 385 N 0.50 1.52 0.33 -1.35 2.07 -1.74 -3.37 116.25 114.21 1ll1 h VAL 385 Ca 0.10 -2.14 -0.02 0.00 0.82 0.00 0.00 66.70 65.47 1ll1 h VAL 385 Cb 0.37 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1ll1 h VAL 385 CO 0.01 0.60 -0.16 -0.07 0.02 0.00 0.00 177.57 177.98 1ll1 h LEU 386 N -0.37 -0.37 -9.83 2.57 3.38 -1.52 -3.46 115.31 105.71 1ll1 h LEU 386 Ca -0.07 -0.17 -0.57 0.00 0.09 0.00 0.00 57.88 57.16 1ll1 h LEU 386 Cb 1.23 0.10 0.15 0.00 0.09 0.00 0.00 40.66 42.23 1ll1 h LEU 386 CO 0.09 0.02 0.28 -3.20 0.09 0.00 0.00 178.44 175.73 1ll1 n ASN 387 N -5.13 1.54 -3.87 -0.43 4.05 -0.30 -4.92 115.26 106.19 1ll1 n ASN 387 Ca -0.09 0.94 -0.30 0.00 0.45 0.00 0.00 54.58 55.57 1ll1 n ASN 387 Cb 0.27 -1.44 -0.15 0.00 1.23 0.00 0.00 39.78 39.69 1ll1 n ASN 387 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1ll1 s PHE 388 N -1.37 2.62 0.02 1.20 2.19 -1.26 -4.91 117.98 116.47 1ll1 s PHE 388 Ca 0.70 -2.26 -0.03 0.00 0.33 0.00 0.00 56.93 55.66 1ll1 s PHE 388 Cb -0.46 -2.20 -0.01 0.00 -1.31 0.00 0.00 43.02 39.04 1ll1 s PHE 388 CO 0.51 -0.90 0.54 -2.30 1.83 0.00 0.00 175.22 174.91 1ll1 n PRO 389 N 4.59 -0.05 -0.07 10.12 -0.02 -1.26 -2.28 135.00 146.04 1ll1 n PRO 389 Ca -0.00 0.54 0.10 0.00 -2.02 0.00 0.00 63.50 62.11 1ll1 n PRO 389 Cb 0.42 -0.80 0.39 0.00 -0.02 0.00 0.00 33.50 33.49 1ll1 n PRO 389 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ll1 n ASP 390 N -2.94 1.34 -4.83 2.55 8.00 -1.26 -4.89 116.55 114.52 1ll1 n ASP 390 Ca 0.00 -1.67 -0.36 0.00 0.71 0.00 0.00 54.79 53.47 1ll1 n ASP 390 Cb 0.03 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 40.97 1ll1 n ASP 390 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ll1 s ILE 391 N -1.82 5.19 -0.19 0.53 -1.09 -0.96 -0.55 121.20 122.31 1ll1 s ILE 391 Ca 0.31 0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.71 1ll1 s ILE 391 Cb 0.16 -3.28 0.09 0.00 -1.58 0.00 0.00 42.46 37.85 1ll1 s ILE 391 CO 0.24 0.56 0.22 -1.58 -1.23 0.00 0.00 174.94 173.16 1ll1 s GLN 392 N -1.16 0.18 -0.44 2.79 2.00 -0.77 -4.06 119.66 118.21 1ll1 s GLN 392 Ca 0.17 0.27 -0.29 0.00 -2.00 0.00 0.00 55.36 53.51 1ll1 s GLN 392 Cb -0.12 -1.05 0.03 0.00 0.80 0.00 0.00 33.01 32.66 1ll1 s GLN 392 CO 0.06 -0.61 1.11 0.08 -0.50 0.00 0.00 175.29 175.43 1ll1 s VAL 393 N 2.33 4.30 0.02 1.34 1.01 -0.16 -0.60 120.40 128.64 1ll1 s VAL 393 Ca 0.06 1.32 0.10 0.00 0.00 0.00 0.00 61.98 63.46 1ll1 s VAL 393 Cb -0.15 -4.55 -0.22 0.00 0.00 0.00 0.00 36.38 31.46 1ll1 s VAL 393 CO -0.11 -0.86 0.89 1.56 0.00 0.00 0.00 175.10 176.57 1ll1 h GLN 394 N 8.93 0.01 -1.60 2.72 4.20 -1.18 -3.47 115.11 124.72 1ll1 h GLN 394 Ca -0.22 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 58.53 1ll1 h GLN 394 Cb 1.06 0.01 -0.23 0.00 0.30 0.00 0.00 27.48 28.61 1ll1 h GLN 394 CO 1.10 0.71 0.50 0.34 -0.67 0.00 0.00 178.83 180.80 1ll1 s ASP 395 N -6.36 -0.41 -0.03 1.46 2.15 -1.19 -5.00 116.67 107.30 1ll1 s ASP 395 Ca -0.03 0.55 0.03 0.00 0.43 0.00 0.00 52.55 53.53 1ll1 s ASP 395 Cb 0.09 0.47 -0.00 0.00 -0.30 0.00 0.00 42.92 43.17 1ll1 s ASP 395 CO 0.82 -0.31 -0.13 -0.69 -0.17 0.00 0.00 175.17 174.70 1ll1 s VAL 396 N -0.77 1.05 -0.01 1.11 1.01 -1.26 -0.68 120.40 120.85 1ll1 s VAL 396 Ca -0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1ll1 s VAL 396 Cb -0.02 -0.91 0.01 0.00 0.00 0.00 0.00 36.38 35.46 1ll1 s VAL 396 CO 0.00 0.31 0.02 -0.89 0.00 0.00 0.00 175.10 174.55 1ll1 s THR 397 N 0.06 -0.01 -0.28 3.92 2.01 -0.42 -4.92 115.64 116.00 1ll1 s THR 397 Ca -0.02 0.03 -0.08 0.00 0.31 0.00 0.00 61.69 61.93 1ll1 s THR 397 Cb -0.09 -0.04 -0.01 0.00 0.01 0.00 0.00 72.50 72.36 1ll1 s THR 397 CO 0.01 0.01 0.10 -0.22 -0.69 0.00 0.00 174.62 173.83 1ll1 s LEU 398 N 0.15 3.74 -0.17 4.42 0.20 -1.26 -0.37 118.68 125.39 1ll1 s LEU 398 Ca -0.01 -0.42 -0.17 0.00 0.69 0.00 0.00 54.13 54.22 1ll1 s LEU 398 Cb -0.02 -1.94 -0.04 0.00 -0.43 0.00 0.00 46.19 43.76 1ll1 s LEU 398 CO -0.00 -0.12 0.43 -1.00 -0.29 0.00 0.00 176.35 175.36 1ll1 s HIS 399 N 1.59 3.44 0.00 5.38 3.76 0.33 -0.95 115.29 128.83 1ll1 s HIS 399 Ca 0.05 0.73 0.00 0.00 -0.15 0.00 0.00 55.06 55.69 1ll1 s HIS 399 Cb -0.16 -2.53 0.00 0.00 1.11 0.00 0.00 32.58 31.00 1ll1 s HIS 399 CO 0.04 0.08 0.00 0.00 -0.85 0.00 0.00 174.74 174.01 1ll1 n ALA 400 N 4.10 0.00 -0.34 -1.40 0.00 -1.26 -1.85 120.51 119.76 1ll1 n ALA 400 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.43 1ll1 n ALA 400 Cb 0.51 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.21 1ll1 n ALA 400 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ll1 h ARG 401 N 0.00 0.96 -4.74 0.00 2.43 -1.87 -3.37 114.38 107.79 1ll1 h ARG 401 Ca 0.00 -0.06 -0.53 0.00 -0.81 0.00 0.00 59.98 58.58 1ll1 h ARG 401 Cb 0.00 -0.22 -0.33 0.00 -0.42 0.00 0.00 29.97 29.00 1ll1 h ARG 401 CO 0.00 0.64 -0.82 0.08 -1.51 0.00 0.00 179.97 178.35 1ll1 s VAL 402 N -5.92 1.24 0.40 0.20 1.01 -1.26 -5.12 120.40 110.95 1ll1 s VAL 402 Ca -0.12 -0.56 -0.27 0.00 0.00 0.00 0.00 61.98 61.04 1ll1 s VAL 402 Cb 0.21 -1.11 -0.09 0.00 0.00 0.00 0.00 36.38 35.39 1ll1 s VAL 402 CO 0.81 0.38 1.36 -1.81 0.00 0.00 0.00 175.10 175.84 1ll1 s ASP 403 N 0.50 6.29 -2.09 3.32 1.01 -1.26 -3.08 116.67 121.35 1ll1 s ASP 403 Ca -0.12 2.79 0.00 0.00 0.71 0.00 0.00 52.55 55.93 1ll1 s ASP 403 Cb -0.15 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.13 1ll1 s ASP 403 CO 0.04 -0.88 0.00 0.59 0.21 0.00 0.00 175.17 175.13 1ll1 n ASN 404 N 0.21 -5.47 -3.82 0.27 3.02 -0.13 -4.97 115.26 104.36 1ll1 n ASN 404 Ca 0.03 0.43 -0.19 0.00 -0.03 0.00 0.00 54.58 54.83 1ll1 n ASN 404 Cb 0.42 -4.72 -0.16 0.00 -0.61 0.00 0.00 39.78 34.71 1ll1 n ASN 404 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ll1 s VAL 405 N -2.78 0.27 -0.11 2.41 1.01 -1.18 -1.89 120.40 118.13 1ll1 s VAL 405 Ca 0.00 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1ll1 s VAL 405 Cb 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1ll1 s VAL 405 CO 0.00 0.18 -0.04 -0.69 0.00 0.00 0.00 175.10 174.54 1ll1 s VAL 406 N 1.15 3.88 -0.22 2.92 1.01 0.40 -4.58 120.40 124.96 1ll1 s VAL 406 Ca -0.08 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.44 1ll1 s VAL 406 Cb -0.14 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 1ll1 s VAL 406 CO -0.02 0.55 0.07 -1.00 0.00 0.00 0.00 175.10 174.70 1ll1 s HIS 407 N -0.26 3.14 0.22 5.22 3.76 -1.26 -0.57 115.29 125.54 1ll1 s HIS 407 Ca 0.04 -0.21 0.07 0.00 -0.15 0.00 0.00 55.06 54.82 1ll1 s HIS 407 Cb -0.13 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.36 1ll1 s HIS 407 CO 0.02 -0.14 0.10 0.95 -0.85 0.00 0.00 174.74 174.82 1ll1 s THR 408 N 1.09 4.10 0.09 1.30 -4.23 0.97 -1.27 115.64 117.69 1ll1 s THR 408 Ca 0.04 -1.44 -0.27 0.00 -1.18 0.00 0.00 61.69 58.85 1ll1 s THR 408 Cb -0.14 -3.15 0.08 0.00 1.34 0.00 0.00 72.50 70.63 1ll1 s THR 408 CO 0.03 -0.25 1.02 0.72 -0.54 0.00 0.00 174.62 175.60 1ll1 s PHE 409 N -1.99 -0.15 0.12 3.99 -0.12 -0.11 -0.36 117.98 119.36 1ll1 s PHE 409 Ca 0.31 -0.09 -0.13 0.00 -0.05 0.00 0.00 56.93 56.97 1ll1 s PHE 409 Cb -0.08 0.60 -0.07 0.00 -0.63 0.00 0.00 43.02 42.84 1ll1 s PHE 409 CO 0.22 -0.66 0.50 -1.64 -0.05 0.00 0.00 175.22 173.59 1ll1 s MET 410 N -3.07 3.91 -0.01 1.99 -1.94 -1.26 -0.45 119.30 118.47 1ll1 s MET 410 Ca 0.11 0.39 0.02 0.00 -1.71 0.00 0.00 55.69 54.51 1ll1 s MET 410 Cb -0.00 -2.96 -0.00 0.00 2.01 0.00 0.00 34.83 33.87 1ll1 s MET 410 CO -0.01 0.51 -0.08 0.50 -0.01 0.00 0.00 175.02 175.93 1ll1 s ARG 411 N -1.92 0.72 0.47 2.03 3.52 -0.47 -4.94 118.95 118.36 1ll1 s ARG 411 Ca 0.36 -0.28 -0.16 0.00 -0.13 0.00 0.00 55.73 55.52 1ll1 s ARG 411 Cb -0.15 -0.70 -0.08 0.00 -1.56 0.00 0.00 34.95 32.46 1ll1 s ARG 411 CO 0.19 0.14 0.93 -1.83 -0.81 0.00 0.00 175.30 173.92 1ll1 s GLU 412 N -0.04 3.99 -0.03 5.12 -1.05 -1.26 -1.60 118.70 123.83 1ll1 s GLU 412 Ca 0.01 0.90 -0.30 0.00 -0.15 0.00 0.00 54.97 55.43 1ll1 s GLU 412 Cb -0.05 -2.20 0.08 0.00 -0.44 0.00 0.00 34.13 31.51 1ll1 s GLU 412 CO -0.00 -0.16 0.70 -1.14 0.95 0.00 0.00 175.26 175.61 1ll1 s GLN 413 N -3.77 1.05 0.49 -4.83 0.74 0.84 -4.95 119.66 109.23 1ll1 s GLN 413 Ca 0.58 0.13 0.06 0.00 0.05 0.00 0.00 55.36 56.18 1ll1 s GLN 413 Cb -0.10 0.49 0.03 0.00 1.10 0.00 0.00 33.01 34.54 1ll1 s GLN 413 CO 0.26 -0.35 0.68 -1.21 -0.55 0.00 0.00 175.29 174.12 1ll1 s GLU 414 N -1.61 2.63 -0.22 1.67 0.41 -1.26 -0.36 118.70 119.96 1ll1 s GLU 414 Ca -0.08 -1.15 -0.08 0.00 -0.41 0.00 0.00 54.97 53.25 1ll1 s GLU 414 Cb -0.00 -2.65 0.10 0.00 -1.78 0.00 0.00 34.13 29.80 1ll1 s GLU 414 CO 0.05 -0.53 0.48 -1.17 -0.49 0.00 0.00 175.26 173.61 1ll1 s LEU 415 N -4.54 -0.75 0.11 1.80 2.96 -1.04 -4.92 118.68 112.30 1ll1 s LEU 415 Ca 0.57 1.13 -0.31 0.00 -0.22 0.00 0.00 54.13 55.30 1ll1 s LEU 415 Cb -0.09 1.59 -0.09 0.00 0.50 0.00 0.00 46.19 48.10 1ll1 s LEU 415 CO 0.36 -0.23 1.58 -1.61 -1.32 0.00 0.00 176.35 175.13 1ll1 s GLU 416 N 2.62 4.22 0.00 1.98 2.02 -1.26 -2.59 118.70 125.70 1ll1 s GLU 416 Ca -0.03 2.30 0.07 0.00 0.02 0.00 0.00 54.97 57.34 1ll1 s GLU 416 Cb -0.12 -3.38 0.03 0.00 0.10 0.00 0.00 34.13 30.76 1ll1 s GLU 416 CO -0.14 -0.65 0.63 1.28 0.02 0.00 0.00 175.26 176.40 1ll1 n LEU 417 N 4.76 1.30 0.28 1.80 4.77 -0.17 -4.68 117.00 125.07 1ll1 n LEU 417 Ca 0.14 -0.87 0.13 0.00 -0.03 0.00 0.00 56.01 55.38 1ll1 n LEU 417 Cb 0.40 0.00 0.82 0.00 -2.33 0.00 0.00 43.42 42.31 1ll1 n LEU 417 CO 0.62 0.27 1.07 0.11 -1.33 0.00 0.00 177.39 178.13 1ll1 h LYS 418 N 1.12 0.00 -0.01 3.23 6.56 -1.79 -1.73 116.57 123.95 1ll1 h LYS 418 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1ll1 h LYS 418 Cb 0.28 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.94 1ll1 h LYS 418 CO 0.00 0.04 -0.56 0.72 -2.06 0.00 0.00 179.45 177.59 1ll1 n HIS 419 N -3.92 0.00 0.00 -1.35 8.25 -1.26 -4.39 115.22 112.55 1ll1 n HIS 419 Ca -0.03 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.42 1ll1 n HIS 419 Cb 0.12 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 1ll1 n HIS 419 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ll1 n GLY 420 N 1.43 -0.03 3.47 -1.41 0.00 -1.07 -0.99 105.19 106.59 1ll1 n GLY 420 Ca 0.08 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1ll1 n GLY 420 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ll1 s ILE 421 N -2.03 5.25 -0.19 -0.61 -4.36 -0.67 -4.57 121.20 114.01 1ll1 s ILE 421 Ca -0.02 -0.56 -0.17 0.00 -0.26 0.00 0.00 60.65 59.64 1ll1 s ILE 421 Cb 0.01 -3.87 -0.07 0.00 1.25 0.00 0.00 42.46 39.77 1ll1 s ILE 421 CO 0.03 -0.24 0.76 -3.20 0.24 0.00 0.00 174.94 172.53 1ll1 n ASN 422 N 5.14 0.34 0.14 4.36 2.85 -1.26 -4.52 115.26 122.31 1ll1 n ASN 422 Ca -0.11 0.32 0.01 0.00 -0.11 0.00 0.00 54.58 54.68 1ll1 n ASN 422 Cb 0.48 -0.34 0.10 0.00 1.24 0.00 0.00 39.78 41.25 1ll1 n ASN 422 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ll1 h PRO 423 N 3.01 0.00 0.00 1.20 0.13 -1.87 -3.49 132.00 130.98 1ll1 h PRO 423 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1ll1 h PRO 423 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1ll1 h PRO 423 CO 0.41 0.59 0.00 0.41 -0.23 0.00 0.00 178.00 179.17 1ll1 n GLY 424 N 0.85 2.85 0.95 1.56 0.00 -1.26 -2.43 105.19 107.72 1ll1 n GLY 424 Ca 0.01 -0.25 0.09 0.00 0.00 0.00 0.00 46.02 45.87 1ll1 n GLY 424 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ll1 n ASN 425 N 8.36 3.16 -4.78 1.61 4.13 -1.26 -4.98 115.26 121.50 1ll1 n ASN 425 Ca 0.00 -1.91 -0.36 0.00 1.68 0.00 0.00 54.58 53.99 1ll1 n ASN 425 Cb 0.00 -0.23 -0.04 0.00 -1.54 0.00 0.00 39.78 37.97 1ll1 n ASN 425 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ll1 s ALA 426 N -1.24 3.06 0.03 5.41 0.00 -1.02 -4.97 121.76 123.03 1ll1 s ALA 426 Ca 0.32 0.68 -0.13 0.00 0.00 0.00 0.00 51.96 52.83 1ll1 s ALA 426 Cb 0.19 -3.27 -0.34 0.00 0.00 0.00 0.00 23.12 19.70 1ll1 s ALA 426 CO 0.26 -0.21 0.97 0.00 0.00 0.00 0.00 175.76 176.78 1ll1 h ARG 427 N 2.39 0.48 -3.19 0.00 -0.00 -1.93 -3.48 114.38 108.65 1ll1 h ARG 427 Ca -0.48 -0.82 -0.14 0.00 -0.50 0.00 0.00 59.98 58.04 1ll1 h ARG 427 Cb 1.21 0.31 -0.21 0.00 0.00 0.00 0.00 29.97 31.28 1ll1 h ARG 427 CO 0.62 1.39 -0.37 0.45 0.00 0.00 0.00 179.97 182.06 1ll1 s SER 428 N -7.48 -0.15 -0.28 7.04 0.15 -1.26 -5.00 113.70 106.73 1ll1 s SER 428 Ca -0.09 0.11 -0.02 0.00 0.70 0.00 0.00 55.95 56.64 1ll1 s SER 428 Cb 0.05 0.34 0.09 0.00 -1.71 0.00 0.00 66.02 64.79 1ll1 s SER 428 CO 0.93 -0.34 0.10 -0.63 1.20 0.00 0.00 173.24 174.49 1ll1 s ILE 429 N -0.99 0.47 -0.09 6.45 1.01 -1.26 -0.94 121.20 125.84 1ll1 s ILE 429 Ca -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.58 1ll1 s ILE 429 Cb -0.05 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.12 1ll1 s ILE 429 CO 0.03 -0.59 -0.12 -0.54 0.00 0.00 0.00 174.94 173.72 1ll1 s LYS 430 N 1.84 2.98 -0.25 2.79 1.02 -0.78 -0.99 119.74 126.35 1ll1 s LYS 430 Ca 0.07 -0.66 -0.08 0.00 0.02 0.00 0.00 55.97 55.32 1ll1 s LYS 430 Cb -0.17 -2.54 -0.03 0.00 -0.52 0.00 0.00 37.83 34.57 1ll1 s LYS 430 CO -0.25 0.43 0.09 0.00 -0.92 0.00 0.00 175.35 174.70 1ll1 s ALA 431 N -0.21 3.24 -0.29 5.17 0.00 -1.07 -0.86 121.76 127.75 1ll1 s ALA 431 Ca 0.01 -1.12 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 1ll1 s ALA 431 Cb -0.13 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.81 1ll1 s ALA 431 CO 0.03 -0.49 0.56 1.03 0.00 0.00 0.00 175.76 176.89 1ll1 s ARG 432 N 1.63 3.94 0.38 0.00 0.52 0.11 -2.50 118.95 123.03 1ll1 s ARG 432 Ca 0.06 0.25 0.02 0.00 -0.52 0.00 0.00 55.73 55.54 1ll1 s ARG 432 Cb -0.15 -3.70 -0.01 0.00 0.52 0.00 0.00 34.95 31.61 1ll1 s ARG 432 CO 0.05 -0.48 0.07 2.48 0.02 0.00 0.00 175.30 177.44 1ll1 n TYR 433 N 5.71 0.53 -4.24 -0.53 0.18 0.52 -0.23 117.16 119.08 1ll1 n TYR 433 Ca -0.03 -2.17 -0.19 0.00 1.88 0.00 0.00 57.90 57.39 1ll1 n TYR 433 Cb 0.49 -0.14 -0.12 0.00 -0.38 0.00 0.00 39.34 39.20 1ll1 n TYR 433 CO 0.00 0.00 0.00 0.71 -2.08 0.00 0.00 176.86 175.49 1ll1 s TYR 434 N -2.71 1.47 0.09 -3.48 1.51 -1.26 -0.11 117.35 112.87 1ll1 s TYR 434 Ca 0.09 -0.50 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 1ll1 s TYR 434 Cb 0.00 -0.78 0.01 0.00 -0.11 0.00 0.00 41.96 41.08 1ll1 s TYR 434 CO 0.07 0.16 0.24 -3.38 -1.11 0.00 0.00 175.55 171.52 1ll1 s HIS 435 N -1.77 0.05 0.52 2.71 -3.43 -0.62 -4.94 115.29 107.81 1ll1 s HIS 435 Ca 0.07 -0.42 -0.19 0.00 -0.80 0.00 0.00 55.06 53.71 1ll1 s HIS 435 Cb -0.07 0.02 -0.07 0.00 -1.43 0.00 0.00 32.58 31.03 1ll1 s HIS 435 CO 0.03 -0.57 1.08 -1.17 -2.00 0.00 0.00 174.74 172.11 1ll1 s LEU 436 N -2.74 3.77 0.22 5.38 2.96 -1.26 -1.37 118.68 125.64 1ll1 s LEU 436 Ca 0.03 2.02 -0.15 0.00 -0.22 0.00 0.00 54.13 55.80 1ll1 s LEU 436 Cb 0.03 -4.57 0.01 0.00 0.50 0.00 0.00 46.19 42.17 1ll1 s LEU 436 CO -0.10 -1.00 0.50 -0.62 -1.32 0.00 0.00 176.35 173.81 1ll1 s ASP 437 N -1.97 -0.17 0.12 3.68 -1.08 0.41 -4.53 116.67 113.12 1ll1 s ASP 437 Ca 0.69 -0.68 0.01 0.00 -0.52 0.00 0.00 52.55 52.05 1ll1 s ASP 437 Cb -0.19 0.58 -0.04 0.00 -1.46 0.00 0.00 42.92 41.81 1ll1 s ASP 437 CO 0.24 -1.10 -0.02 -1.38 0.52 0.00 0.00 175.17 173.43 1ll1 s HIS 438 N -3.93 0.95 0.30 -5.34 -3.43 -1.26 -0.93 115.29 101.64 1ll1 s HIS 438 Ca 0.14 -1.01 -0.27 0.00 -0.80 0.00 0.00 55.06 53.12 1ll1 s HIS 438 Cb -0.01 -0.55 -0.10 0.00 -1.43 0.00 0.00 32.58 30.49 1ll1 s HIS 438 CO 0.02 -0.25 0.95 -1.83 -2.00 0.00 0.00 174.74 171.64 1ll1 s GLU 439 N -3.90 4.64 0.35 -0.38 -1.05 -0.39 -4.99 118.70 112.99 1ll1 s GLU 439 Ca 0.17 1.39 -0.28 0.00 -0.15 0.00 0.00 54.97 56.10 1ll1 s GLU 439 Cb 0.06 -2.93 -0.11 0.00 -0.44 0.00 0.00 34.13 30.71 1ll1 s GLU 439 CO -0.02 0.33 1.39 -2.14 0.95 0.00 0.00 175.26 175.76 1ll1 s PRO 440 N -1.82 4.23 0.33 -4.83 0.02 -1.26 -4.81 135.00 126.86 1ll1 s PRO 440 Ca 0.48 2.37 0.07 0.00 0.02 0.00 0.00 61.00 63.94 1ll1 s PRO 440 Cb -0.21 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.27 1ll1 s PRO 440 CO 0.27 -0.35 0.28 -0.59 -0.33 0.00 0.00 177.00 176.27 1ll1 s PHE 441 N -1.14 1.72 0.14 6.54 -0.12 -1.26 -4.76 117.98 119.10 1ll1 s PHE 441 Ca 0.51 -1.65 -0.10 0.00 -0.05 0.00 0.00 56.93 55.65 1ll1 s PHE 441 Cb -0.43 -0.69 -0.00 0.00 -0.63 0.00 0.00 43.02 41.27 1ll1 s PHE 441 CO 0.57 -0.87 0.28 -1.54 -0.05 0.00 0.00 175.22 173.61 1ll1 s SER 442 N -3.36 0.03 0.10 1.98 1.04 -0.77 -0.84 113.70 111.87 1ll1 s SER 442 Ca 0.40 -0.76 0.06 0.00 0.48 0.00 0.00 55.95 56.14 1ll1 s SER 442 Cb 0.02 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 1ll1 s SER 442 CO 0.27 -0.86 -0.06 -0.31 0.98 0.00 0.00 173.24 173.26 1ll1 s TYR 443 N -3.92 2.83 -0.30 5.02 2.02 0.32 -0.52 117.35 122.80 1ll1 s TYR 443 Ca 0.12 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.71 1ll1 s TYR 443 Cb 0.03 -1.47 0.10 0.00 -0.40 0.00 0.00 41.96 40.22 1ll1 s TYR 443 CO -0.04 0.45 0.08 0.00 -1.57 0.00 0.00 175.55 174.47 1ll1 s ALA 444 N -1.25 1.60 -0.31 3.71 0.00 0.50 -2.46 121.76 123.56 1ll1 s ALA 444 Ca 0.23 -1.65 -0.09 0.00 0.00 0.00 0.00 51.96 50.46 1ll1 s ALA 444 Cb -0.11 -1.61 -0.00 0.00 0.00 0.00 0.00 23.12 21.40 1ll1 s ALA 444 CO 0.15 -1.61 0.13 0.08 0.00 0.00 0.00 175.76 174.50 1ll1 s VAL 445 N 1.58 4.35 -0.52 0.00 1.01 -0.06 -1.30 120.40 125.47 1ll1 s VAL 445 Ca 0.08 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.31 1ll1 s VAL 445 Cb -0.17 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.02 1ll1 s VAL 445 CO -0.22 0.07 0.81 0.20 0.00 0.00 0.00 175.10 175.95 1ll1 s ASN 446 N 1.57 6.31 -0.16 3.32 0.01 0.14 -0.37 114.94 125.76 1ll1 s ASN 446 Ca 0.04 -0.51 -0.04 0.00 -0.71 0.00 0.00 52.86 51.63 1ll1 s ASN 446 Cb -0.17 -2.38 -0.03 0.00 0.41 0.00 0.00 41.25 39.08 1ll1 s ASN 446 CO 0.05 -1.07 -0.03 -0.69 -1.51 0.00 0.00 177.10 173.85 1ll1 s VAL 447 N 3.40 3.92 -0.38 1.60 1.01 -0.53 -0.62 120.40 128.81 1ll1 s VAL 447 Ca 0.25 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1ll1 s VAL 447 Cb -0.15 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1ll1 s VAL 447 CO 0.17 0.48 0.33 -1.58 0.00 0.00 0.00 175.10 174.50 1ll1 s GLN 448 N 0.46 3.29 -0.63 2.72 2.00 0.23 -0.84 119.66 126.90 1ll1 s GLN 448 Ca -0.03 -0.71 -0.18 0.00 -2.00 0.00 0.00 55.36 52.44 1ll1 s GLN 448 Cb -0.14 -3.89 0.12 0.00 0.80 0.00 0.00 33.01 29.90 1ll1 s GLN 448 CO 0.03 -0.63 0.70 1.21 -0.50 0.00 0.00 175.29 176.10 1ll1 s ASN 449 N 1.73 6.26 0.00 6.67 2.47 -0.52 -1.84 114.94 129.72 1ll1 s ASN 449 Ca 0.08 -1.64 0.12 0.00 0.42 0.00 0.00 52.86 51.84 1ll1 s ASN 449 Cb -0.18 -2.29 0.69 0.00 -1.45 0.00 0.00 41.25 38.03 1ll1 s ASN 449 CO 0.11 -1.03 1.41 0.59 -3.72 0.00 0.00 177.10 174.47 1ll1 n ASN 450 N 5.98 0.00 -4.91 -4.21 3.02 0.29 -0.35 115.26 115.07 1ll1 n ASN 450 Ca -0.06 -1.57 -0.27 0.00 -0.03 0.00 0.00 54.58 52.65 1ll1 n ASN 450 Cb 0.43 0.00 0.07 0.00 -0.61 0.00 0.00 39.78 39.67 1ll1 n ASN 450 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ll1 s SER 451 N -1.40 4.88 -0.17 6.41 0.15 -1.26 -4.98 113.70 117.34 1ll1 s SER 451 Ca 0.17 0.66 0.16 0.00 0.70 0.00 0.00 55.95 57.64 1ll1 s SER 451 Cb 0.08 -1.32 0.75 0.00 -1.71 0.00 0.00 66.02 63.83 1ll1 s SER 451 CO 0.13 -1.60 1.67 0.00 1.20 0.00 0.00 173.24 174.65 1ll1 n ALA 452 N -3.01 3.42 -3.28 5.45 0.00 -1.26 -4.59 120.51 117.24 1ll1 n ALA 452 Ca 0.07 -1.78 -0.09 0.00 0.00 0.00 0.00 53.44 51.64 1ll1 n ALA 452 Cb 0.60 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 1ll1 n ALA 452 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1ll1 s SER 453 N -0.92 0.02 0.12 0.00 0.15 -1.26 -4.97 113.70 106.84 1ll1 s SER 453 Ca 0.52 -0.98 -0.30 0.00 0.70 0.00 0.00 55.95 55.89 1ll1 s SER 453 Cb 0.37 0.63 -0.07 0.00 -1.71 0.00 0.00 66.02 65.24 1ll1 s SER 453 CO 0.20 -1.23 1.24 -1.81 1.20 0.00 0.00 173.24 172.84 1ll1 s ASP 454 N -3.04 7.02 0.09 5.45 1.11 -1.26 -4.28 116.67 121.76 1ll1 s ASP 454 Ca 0.22 2.16 0.10 0.00 0.18 0.00 0.00 52.55 55.20 1ll1 s ASP 454 Cb -0.02 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 1ll1 s ASP 454 CO 0.10 -0.48 -0.24 -0.54 1.18 0.00 0.00 175.17 175.19 1ll1 s LYS 455 N 0.62 1.69 -0.20 8.23 1.02 -0.58 -4.98 119.74 125.55 1ll1 s LYS 455 Ca 0.58 -1.19 -0.06 0.00 0.02 0.00 0.00 55.97 55.32 1ll1 s LYS 455 Cb -0.32 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.96 1ll1 s LYS 455 CO 0.32 0.49 0.02 -1.01 -0.92 0.00 0.00 175.35 174.25 1ll1 s HIS 456 N -0.97 3.10 0.08 3.18 3.76 -1.26 -0.03 115.29 123.15 1ll1 s HIS 456 Ca 0.14 -0.27 0.07 0.00 -0.15 0.00 0.00 55.06 54.85 1ll1 s HIS 456 Cb -0.10 -2.09 -0.03 0.00 1.11 0.00 0.00 32.58 31.47 1ll1 s HIS 456 CO 0.05 -0.12 -0.20 0.00 -0.85 0.00 0.00 174.74 173.63 1ll1 s ALA 457 N 0.84 1.67 -0.31 -1.40 0.00 -0.60 -1.58 121.76 120.37 1ll1 s ALA 457 Ca 0.02 -1.15 -0.11 0.00 0.00 0.00 0.00 51.96 50.72 1ll1 s ALA 457 Cb -0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1ll1 s ALA 457 CO 0.02 0.33 0.18 0.99 0.00 0.00 0.00 175.76 177.29 1ll1 s THR 458 N -1.09 4.92 -0.27 0.00 2.01 0.17 -2.11 115.64 119.27 1ll1 s THR 458 Ca 0.05 -0.26 -0.20 0.00 0.31 0.00 0.00 61.69 61.59 1ll1 s THR 458 Cb -0.10 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1ll1 s THR 458 CO 0.03 0.08 0.63 -0.69 -0.69 0.00 0.00 174.62 173.98 1ll1 s VAL 459 N 1.67 4.97 -0.22 3.82 1.01 0.25 -1.29 120.40 130.61 1ll1 s VAL 459 Ca 0.06 1.04 -0.05 0.00 0.00 0.00 0.00 61.98 63.03 1ll1 s VAL 459 Cb -0.17 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.24 1ll1 s VAL 459 CO 0.08 -0.02 -0.01 -0.13 0.00 0.00 0.00 175.10 175.02 1ll1 s ARG 460 N 2.54 3.49 -0.19 2.72 0.52 0.12 -2.13 118.95 126.02 1ll1 s ARG 460 Ca 0.26 -0.57 0.01 0.00 -0.52 0.00 0.00 55.73 54.91 1ll1 s ARG 460 Cb -0.15 -3.08 0.03 0.00 0.52 0.00 0.00 34.95 32.26 1ll1 s ARG 460 CO 0.09 -0.14 -0.18 0.42 0.02 0.00 0.00 175.30 175.51 1ll1 s ILE 461 N 1.38 2.02 0.27 1.52 1.01 -0.02 -0.49 121.20 126.90 1ll1 s ILE 461 Ca 0.05 -0.99 0.10 0.00 0.00 0.00 0.00 60.65 59.80 1ll1 s ILE 461 Cb -0.15 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 1ll1 s ILE 461 CO -0.00 0.46 -0.15 -0.36 0.00 0.00 0.00 174.94 174.89 1ll1 s PHE 462 N 1.29 2.12 0.03 3.97 0.40 -0.00 -0.35 117.98 125.43 1ll1 s PHE 462 Ca 0.03 -0.47 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 1ll1 s PHE 462 Cb -0.14 -1.03 -0.02 0.00 0.51 0.00 0.00 43.02 42.34 1ll1 s PHE 462 CO -0.12 0.54 -0.13 -1.17 0.70 0.00 0.00 175.22 175.04 1ll1 s LEU 463 N -3.47 2.15 -0.15 -0.37 2.96 -0.01 -0.91 118.68 118.88 1ll1 s LEU 463 Ca 0.29 -0.41 -0.17 0.00 -0.22 0.00 0.00 54.13 53.61 1ll1 s LEU 463 Cb -0.01 -0.58 0.04 0.00 0.50 0.00 0.00 46.19 46.14 1ll1 s LEU 463 CO 0.13 0.05 0.47 0.00 -1.32 0.00 0.00 176.35 175.67 1ll1 s ALA 464 N -0.76 -1.17 0.33 5.97 0.00 -0.79 -0.43 121.76 124.91 1ll1 s ALA 464 Ca 0.02 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 1ll1 s ALA 464 Cb -0.07 -0.60 -0.11 0.00 0.00 0.00 0.00 23.12 22.34 1ll1 s ALA 464 CO 0.01 -0.24 1.45 -2.14 0.00 0.00 0.00 175.76 174.84 1ll1 s PRO 465 N -0.08 4.19 -0.02 0.00 0.02 -1.26 0.07 135.00 137.93 1ll1 s PRO 465 Ca -0.03 2.45 -0.16 0.00 0.02 0.00 0.00 61.00 63.28 1ll1 s PRO 465 Cb -0.03 -3.02 -0.33 0.00 0.02 0.00 0.00 34.50 31.14 1ll1 s PRO 465 CO 0.02 -0.45 0.86 -0.22 -0.33 0.00 0.00 177.00 176.88 1ll1 h LYS 466 N 3.69 0.43 -5.51 5.54 3.64 -1.84 -3.45 116.57 119.07 1ll1 h LYS 466 Ca -0.49 -0.73 -0.45 0.00 -1.27 0.00 0.00 60.65 57.71 1ll1 h LYS 466 Cb 1.23 0.27 -0.14 0.00 -0.41 0.00 0.00 32.23 33.18 1ll1 h LYS 466 CO 0.69 1.35 -0.72 0.71 -2.27 0.00 0.00 179.45 179.21 1ll1 s TYR 467 N -2.54 1.73 0.76 1.91 2.02 -1.26 -1.56 117.35 118.40 1ll1 s TYR 467 Ca -0.13 -0.62 -0.03 0.00 -0.37 0.00 0.00 57.07 55.92 1ll1 s TYR 467 Cb 0.04 -0.85 0.16 0.00 -0.40 0.00 0.00 41.96 40.90 1ll1 s TYR 467 CO 0.88 0.31 1.04 -0.40 -1.57 0.00 0.00 175.55 175.81 1ll1 n ASP 468 N -0.41 1.07 0.08 2.29 5.68 -0.29 -4.84 116.55 120.14 1ll1 n ASP 468 Ca -0.07 -1.98 0.06 0.00 -0.50 0.00 0.00 54.79 52.29 1ll1 n ASP 468 Cb 0.61 -0.70 0.30 0.00 -1.14 0.00 0.00 41.12 40.19 1ll1 n ASP 468 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1ll1 n GLU 469 N -2.99 0.07 -0.40 0.11 0.00 -1.26 -1.54 120.64 114.64 1ll1 n GLU 469 Ca 0.16 0.55 0.08 0.00 0.00 0.00 0.00 57.16 57.95 1ll1 n GLU 469 Cb 0.57 -1.73 0.24 0.00 0.00 0.00 0.00 31.44 30.53 1ll1 n GLU 469 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1ll1 n LEU 470 N -1.88 3.75 0.00 -1.84 4.77 -1.26 -4.94 117.00 115.60 1ll1 n LEU 470 Ca -0.00 -2.62 0.00 0.00 -0.03 0.00 0.00 56.01 53.36 1ll1 n LEU 470 Cb 0.03 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1ll1 n LEU 470 CO 0.06 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1ll1 n GLY 471 N 0.05 0.84 3.75 -0.72 0.00 -0.59 -5.01 105.19 103.51 1ll1 n GLY 471 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 1ll1 n GLY 471 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ll1 s ASN 472 N -2.78 7.43 -0.15 1.61 0.01 -1.26 -4.76 114.94 115.03 1ll1 s ASN 472 Ca 0.00 2.07 -0.29 0.00 -0.71 0.00 0.00 52.86 53.93 1ll1 s ASN 472 Cb 0.00 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 1ll1 s ASN 472 CO 0.00 -0.04 1.65 -0.70 -1.51 0.00 0.00 177.10 176.50 1ll1 s GLU 473 N -0.99 3.93 -0.18 -0.60 2.12 -1.26 -1.13 118.70 120.58 1ll1 s GLU 473 Ca 0.44 1.89 -0.29 0.00 0.36 0.00 0.00 54.97 57.37 1ll1 s GLU 473 Cb -0.28 -4.02 -0.03 0.00 0.26 0.00 0.00 34.13 30.05 1ll1 s GLU 473 CO 0.35 -1.13 1.60 0.42 -0.54 0.00 0.00 175.26 175.96 1ll1 s ILE 474 N 4.82 3.72 0.73 -3.70 1.01 -0.60 -4.93 121.20 122.24 1ll1 s ILE 474 Ca 0.73 0.82 -0.13 0.00 0.00 0.00 0.00 60.65 62.08 1ll1 s ILE 474 Cb -0.29 -3.67 0.04 0.00 0.01 0.00 0.00 42.46 38.55 1ll1 s ILE 474 CO 0.29 -0.23 1.11 -0.54 0.00 0.00 0.00 174.94 175.57 1ll1 s LYS 475 N 4.45 2.41 0.29 2.79 1.02 -1.26 -4.80 119.74 124.63 1ll1 s LYS 475 Ca 0.71 1.33 0.01 0.00 0.02 0.00 0.00 55.97 58.03 1ll1 s LYS 475 Cb -0.26 -1.91 0.69 0.00 -0.52 0.00 0.00 37.83 35.83 1ll1 s LYS 475 CO 0.28 -1.55 1.64 0.00 -0.92 0.00 0.00 175.35 174.80 1ll1 h ALA 476 N -0.62 1.21 -0.05 5.17 0.00 -1.46 -1.84 119.26 121.67 1ll1 h ALA 476 Ca -0.45 0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1ll1 h ALA 476 Cb 1.24 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1ll1 h ALA 476 CO 0.52 -0.48 -0.61 0.22 0.00 0.00 0.00 179.25 178.90 1ll1 h ASP 477 N 0.17 0.20 0.56 0.00 3.58 -1.77 -3.07 116.42 116.09 1ll1 h ASP 477 Ca 0.54 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.88 1ll1 h ASP 477 Cb 1.09 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.08 1ll1 h ASP 477 CO -0.69 0.76 -0.28 -1.84 -2.88 0.00 0.00 179.24 174.31 1ll1 n GLU 478 N -3.86 0.22 0.13 0.28 0.28 -0.75 -3.52 120.64 113.42 1ll1 n GLU 478 Ca -0.02 -0.10 -0.02 0.00 -0.16 0.00 0.00 57.16 56.86 1ll1 n GLU 478 Cb 0.62 -1.50 0.12 0.00 1.43 0.00 0.00 31.44 32.11 1ll1 n GLU 478 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1ll1 h LEU 479 N 0.24 0.00 -1.56 -1.84 3.38 -1.30 -3.00 115.31 111.23 1ll1 h LEU 479 Ca 0.00 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.14 1ll1 h LEU 479 Cb 0.47 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1ll1 h LEU 479 CO 0.00 0.67 0.54 0.03 0.09 0.00 0.00 178.44 179.77 1ll1 h ARG 480 N 0.00 0.40 0.00 1.13 3.08 -1.62 0.50 114.38 117.87 1ll1 h ARG 480 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1ll1 h ARG 480 Cb 1.23 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.19 1ll1 h ARG 480 CO 0.09 0.26 -0.20 0.00 -1.07 0.00 0.00 179.97 179.05 1ll1 h ARG 481 N 0.41 0.00 -0.07 0.04 3.08 -1.73 -3.33 114.38 112.78 1ll1 h ARG 481 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 1ll1 h ARG 481 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1ll1 h ARG 481 CO -0.14 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.01 1ll1 n THR 482 N -2.86 0.95 -2.76 2.04 -2.24 -0.50 -4.29 114.28 104.62 1ll1 n THR 482 Ca 0.04 -0.97 -0.42 0.00 -2.27 0.00 0.00 64.05 60.42 1ll1 n THR 482 Cb 0.51 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.24 1ll1 n THR 482 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ll1 s ALA 483 N -0.96 3.64 -0.05 6.98 0.00 0.05 -4.52 121.76 126.91 1ll1 s ALA 483 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 51.98 1ll1 s ALA 483 Cb 0.02 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1ll1 s ALA 483 CO 0.03 -1.07 0.13 0.96 0.00 0.00 0.00 175.76 175.82 1ll1 s ILE 484 N 3.11 5.19 0.03 0.00 -4.36 0.43 -4.89 121.20 120.72 1ll1 s ILE 484 Ca 0.40 -0.12 -0.28 0.00 -0.26 0.00 0.00 60.65 60.39 1ll1 s ILE 484 Cb -0.15 -3.35 -0.04 0.00 1.25 0.00 0.00 42.46 40.17 1ll1 s ILE 484 CO 0.08 0.44 0.91 -0.70 0.24 0.00 0.00 174.94 175.91 1ll1 s GLU 485 N -1.53 4.58 -0.15 0.37 2.12 -1.26 -0.83 118.70 122.00 1ll1 s GLU 485 Ca 0.21 1.32 0.02 0.00 0.36 0.00 0.00 54.97 56.88 1ll1 s GLU 485 Cb -0.12 -3.42 -0.10 0.00 0.26 0.00 0.00 34.13 30.75 1ll1 s GLU 485 CO 0.12 0.10 -0.11 1.28 -0.54 0.00 0.00 175.26 176.10 1ll1 n LEU 486 N 3.36 2.62 -3.53 2.70 4.77 0.52 -4.92 117.00 122.53 1ll1 n LEU 486 Ca 0.03 -0.07 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 1ll1 n LEU 486 Cb 0.50 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1ll1 n LEU 486 CO 0.50 0.70 0.33 -0.62 -1.33 0.00 0.00 177.39 176.97 1ll1 s ASP 487 N -5.32 -0.51 -0.25 -1.43 -1.08 -0.79 -4.26 116.67 103.03 1ll1 s ASP 487 Ca -0.18 0.22 -0.06 0.00 -0.52 0.00 0.00 52.55 52.01 1ll1 s ASP 487 Cb 0.05 0.53 0.12 0.00 -1.46 0.00 0.00 42.92 42.16 1ll1 s ASP 487 CO 0.36 -0.76 0.49 -0.75 0.52 0.00 0.00 175.17 175.03 1ll1 s LYS 488 N -2.56 0.42 0.22 4.34 2.20 -1.25 -0.84 119.74 122.27 1ll1 s LYS 488 Ca -0.05 1.02 -0.19 0.00 -0.36 0.00 0.00 55.97 56.40 1ll1 s LYS 488 Cb -0.01 0.32 0.03 0.00 -1.51 0.00 0.00 37.83 36.66 1ll1 s LYS 488 CO -0.03 -0.37 0.58 -0.59 -0.36 0.00 0.00 175.35 174.58 1ll1 s PHE 489 N 2.70 -0.15 -0.05 4.03 -0.71 -0.90 -4.62 117.98 118.27 1ll1 s PHE 489 Ca 0.04 -0.21 -0.03 0.00 -1.04 0.00 0.00 56.93 55.69 1ll1 s PHE 489 Cb -0.13 0.48 -0.04 0.00 -1.21 0.00 0.00 43.02 42.12 1ll1 s PHE 489 CO -0.16 -1.00 0.12 0.21 -1.34 0.00 0.00 175.22 173.06 1ll1 s LYS 490 N -3.88 3.30 0.05 1.99 2.20 -1.26 -0.58 119.74 121.55 1ll1 s LYS 490 Ca 0.10 -0.31 -0.11 0.00 -0.36 0.00 0.00 55.97 55.29 1ll1 s LYS 490 Cb -0.02 -3.03 0.01 0.00 -1.51 0.00 0.00 37.83 33.27 1ll1 s LYS 490 CO -0.01 0.70 0.23 0.95 -0.36 0.00 0.00 175.35 176.87 1ll1 s THR 491 N -1.15 0.11 -0.24 3.43 -4.23 -0.90 -4.98 115.64 107.68 1ll1 s THR 491 Ca 0.21 -0.87 -0.06 0.00 -1.18 0.00 0.00 61.69 59.78 1ll1 s THR 491 Cb -0.12 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.70 1ll1 s THR 491 CO 0.11 -0.48 0.03 -1.81 -0.54 0.00 0.00 174.62 171.93 1ll1 s ASP 492 N -2.23 4.82 -0.12 3.99 1.01 -1.26 -1.56 116.67 121.31 1ll1 s ASP 492 Ca -0.03 -0.27 -0.19 0.00 0.71 0.00 0.00 52.55 52.77 1ll1 s ASP 492 Cb 0.00 -1.85 -0.04 0.00 1.01 0.00 0.00 42.92 42.04 1ll1 s ASP 492 CO -0.05 -0.03 0.51 -0.76 0.21 0.00 0.00 175.17 175.05 1ll1 s LEU 493 N 1.55 4.26 0.34 1.23 2.01 0.96 -4.95 118.68 124.08 1ll1 s LEU 493 Ca 0.06 0.84 -0.02 0.00 0.01 0.00 0.00 54.13 55.02 1ll1 s LEU 493 Cb -0.15 -2.74 -0.04 0.00 0.01 0.00 0.00 46.19 43.27 1ll1 s LEU 493 CO 0.01 -0.04 0.57 -1.00 1.01 0.00 0.00 176.35 176.90 1ll1 s HIS 494 N 0.80 3.50 0.27 0.29 3.76 -1.26 -1.52 115.29 121.12 1ll1 s HIS 494 Ca 0.27 0.52 -0.30 0.00 -0.15 0.00 0.00 55.06 55.39 1ll1 s HIS 494 Cb -0.15 -2.02 -0.13 0.00 1.11 0.00 0.00 32.58 31.38 1ll1 s HIS 494 CO 0.11 0.10 1.38 -2.30 -0.85 0.00 0.00 174.74 173.18 1ll1 n PRO 495 N -1.48 2.08 0.00 8.40 -0.02 -1.26 -4.45 135.00 138.28 1ll1 n PRO 495 Ca -0.03 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1ll1 n PRO 495 Cb 0.55 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1ll1 n PRO 495 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ll1 n GLY 496 N 1.76 -1.66 3.77 -1.23 0.00 0.52 -4.90 105.19 103.45 1ll1 n GLY 496 Ca 0.09 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1ll1 n GLY 496 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ll1 s LYS 497 N 0.00 4.18 0.04 1.61 1.02 -1.26 -1.43 119.74 123.90 1ll1 s LYS 497 Ca 0.00 2.47 -0.00 0.00 0.02 0.00 0.00 55.97 58.46 1ll1 s LYS 497 Cb 0.00 -3.02 -0.03 0.00 -0.52 0.00 0.00 37.83 34.26 1ll1 s LYS 497 CO 0.00 -0.47 -0.04 -0.80 -0.92 0.00 0.00 175.35 173.12 1ll1 s ASN 498 N -0.03 0.49 -0.22 2.83 0.01 -0.02 -4.89 114.94 113.11 1ll1 s ASN 498 Ca 0.55 -0.78 -0.04 0.00 -0.71 0.00 0.00 52.86 51.88 1ll1 s ASN 498 Cb -0.45 0.14 0.07 0.00 0.41 0.00 0.00 41.25 41.43 1ll1 s ASN 498 CO 0.56 -0.45 0.09 -0.89 -1.51 0.00 0.00 177.10 174.90 1ll1 s THR 499 N -2.79 0.19 -0.22 1.60 2.01 -1.26 -1.45 115.64 113.72 1ll1 s THR 499 Ca -0.02 -0.56 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 1ll1 s THR 499 Cb -0.00 -0.92 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 1ll1 s THR 499 CO -0.05 -0.42 0.63 -0.69 -0.69 0.00 0.00 174.62 173.40 1ll1 s VAL 500 N 2.00 5.00 -0.13 3.82 1.01 0.50 -4.89 120.40 127.71 1ll1 s VAL 500 Ca 0.04 1.17 -0.03 0.00 0.00 0.00 0.00 61.98 63.16 1ll1 s VAL 500 Cb -0.16 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1ll1 s VAL 500 CO -0.18 0.08 -0.04 -0.69 0.00 0.00 0.00 175.10 174.27 1ll1 s VAL 501 N 2.15 3.85 -0.03 2.92 1.01 -1.26 -0.88 120.40 128.17 1ll1 s VAL 501 Ca 0.28 -0.38 -0.03 0.00 0.00 0.00 0.00 61.98 61.85 1ll1 s VAL 501 Cb -0.16 -2.66 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1ll1 s VAL 501 CO 0.10 0.52 0.08 -0.60 0.00 0.00 0.00 175.10 175.20 1ll1 s ARG 502 N 0.05 0.09 0.00 2.72 6.06 -1.03 -4.97 118.95 121.87 1ll1 s ARG 502 Ca -0.00 0.13 -0.01 0.00 -2.50 0.00 0.00 55.73 53.35 1ll1 s ARG 502 Cb -0.13 0.02 -0.04 0.00 0.06 0.00 0.00 34.95 34.86 1ll1 s ARG 502 CO 0.03 -0.03 0.13 -1.01 -2.50 0.00 0.00 175.30 171.92 1ll1 s HIS 503 N 0.14 3.41 0.35 5.12 3.76 -1.26 -0.52 115.29 126.29 1ll1 s HIS 503 Ca -0.01 0.27 0.09 0.00 -0.15 0.00 0.00 55.06 55.26 1ll1 s HIS 503 Cb -0.02 -1.77 0.84 0.00 1.11 0.00 0.00 32.58 32.74 1ll1 s HIS 503 CO -0.00 0.59 1.85 0.66 -0.85 0.00 0.00 174.74 176.99 1ll1 h SER 504 N 3.89 0.65 0.58 1.40 4.64 -1.37 0.57 113.55 123.91 1ll1 h SER 504 Ca -0.49 0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1ll1 h SER 504 Cb 1.18 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1ll1 h SER 504 CO 0.66 0.30 -0.00 -0.07 -0.87 0.00 0.00 176.83 176.85 1ll1 h LEU 505 N 0.67 0.00 -0.06 5.97 4.07 -1.95 -2.66 115.31 121.35 1ll1 h LEU 505 Ca 0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.44 1ll1 h LEU 505 Cb 0.83 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1ll1 h LEU 505 CO -0.24 0.00 -0.24 0.47 -1.08 0.00 0.00 178.44 177.35 1ll1 n ASP 506 N -3.09 0.34 -3.51 -0.43 8.00 0.19 -4.85 116.55 113.20 1ll1 n ASP 506 Ca -0.01 -0.08 -0.45 0.00 0.71 0.00 0.00 54.79 54.96 1ll1 n ASP 506 Cb 0.20 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 1ll1 n ASP 506 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1ll1 n SER 507 N -1.36 -0.16 -0.04 -2.24 2.88 -1.01 -4.86 113.62 106.82 1ll1 n SER 507 Ca 0.08 0.90 0.16 0.00 -1.33 0.00 0.00 58.87 58.68 1ll1 n SER 507 Cb 0.33 -0.72 0.88 0.00 -0.75 0.00 0.00 64.21 63.94 1ll1 n SER 507 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1ll1 n SER 508 N 1.24 0.14 -0.01 -3.46 3.41 -1.26 -3.07 113.62 110.61 1ll1 n SER 508 Ca 0.15 -0.91 0.09 0.00 -0.26 0.00 0.00 58.87 57.94 1ll1 n SER 508 Cb 0.08 -0.04 -0.14 0.00 -0.26 0.00 0.00 64.21 63.85 1ll1 n SER 508 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1ll1 n VAL 509 N -0.94 0.00 -3.44 -3.33 0.24 -1.26 -1.50 118.33 108.09 1ll1 n VAL 509 Ca 0.22 -0.40 -0.38 0.00 -2.04 0.00 0.00 64.34 61.74 1ll1 n VAL 509 Cb 0.15 0.13 -0.06 0.00 -1.47 0.00 0.00 33.84 32.59 1ll1 n VAL 509 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1ll1 s THR 510 N -3.25 4.95 -0.43 3.34 2.01 -1.17 -1.26 115.64 119.83 1ll1 s THR 510 Ca -0.06 0.91 -0.20 0.00 0.31 0.00 0.00 61.69 62.65 1ll1 s THR 510 Cb 0.12 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1ll1 s THR 510 CO 0.77 0.54 0.59 -0.22 -0.69 0.00 0.00 174.62 175.60 1ll1 s LEU 511 N -1.18 4.56 0.04 4.42 1.98 0.12 -3.97 118.68 124.66 1ll1 s LEU 511 Ca 0.26 -0.37 0.27 0.00 -2.89 0.00 0.00 54.13 51.40 1ll1 s LEU 511 Cb -0.17 -2.65 1.10 0.00 0.66 0.00 0.00 46.19 45.13 1ll1 s LEU 511 CO 0.15 -0.71 1.85 -1.54 -1.89 0.00 0.00 176.35 174.22 1ll1 n SER 512 N 6.08 0.16 -3.64 3.68 3.41 -1.26 -4.07 113.62 117.98 1ll1 n SER 512 Ca -0.03 0.52 -0.09 0.00 -0.26 0.00 0.00 58.87 59.00 1ll1 n SER 512 Cb 0.48 -0.56 -0.07 0.00 -0.26 0.00 0.00 64.21 63.80 1ll1 n SER 512 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1ll1 s HIS 513 N -3.03 -0.77 -0.19 7.33 5.65 -1.26 -5.05 115.29 117.97 1ll1 s HIS 513 Ca 0.13 1.72 -0.03 0.00 0.25 0.00 0.00 55.06 57.13 1ll1 s HIS 513 Cb 0.17 0.40 0.06 0.00 -1.18 0.00 0.00 32.58 32.03 1ll1 s HIS 513 CO 0.51 -0.38 0.03 -1.14 -0.65 0.00 0.00 174.74 173.11 1ll1 s GLN 514 N 0.83 0.71 0.23 2.88 2.00 -1.26 -4.99 119.66 120.07 1ll1 s GLN 514 Ca -0.03 -0.43 -0.30 0.00 -2.00 0.00 0.00 55.36 52.60 1ll1 s GLN 514 Cb -0.05 -2.09 -0.09 0.00 0.80 0.00 0.00 33.01 31.58 1ll1 s GLN 514 CO -0.09 -0.62 1.30 -2.14 -0.50 0.00 0.00 175.29 173.24 1ll1 s PRO 515 N 1.84 4.40 1.10 1.67 0.02 -1.26 -5.03 135.00 137.73 1ll1 s PRO 515 Ca -0.01 2.07 -0.19 0.00 0.02 0.00 0.00 61.00 62.90 1ll1 s PRO 515 Cb -0.17 -3.17 0.26 0.00 0.02 0.00 0.00 34.50 31.44 1ll1 s PRO 515 CO -0.08 -0.21 1.25 0.95 -0.33 0.00 0.00 177.00 178.58 1ll1 s THR 516 N -0.18 1.78 0.18 0.99 -4.23 -1.26 -4.35 115.64 108.58 1ll1 s THR 516 Ca 0.55 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.96 1ll1 s THR 516 Cb -0.37 -2.77 0.08 0.00 1.34 0.00 0.00 72.50 70.78 1ll1 s THR 516 CO 0.41 0.00 1.68 0.15 -0.54 0.00 0.00 174.62 176.32 1ll1 h PHE 517 N -2.18 1.12 0.00 3.99 3.04 -1.96 -2.25 116.94 118.70 1ll1 h PHE 517 Ca -0.43 -0.15 -0.11 0.00 3.98 0.00 0.00 57.97 61.26 1ll1 h PHE 517 Cb 1.25 -0.31 -0.02 0.00 2.56 0.00 0.00 35.95 39.43 1ll1 h PHE 517 CO -1.98 0.95 -0.50 1.05 -2.02 0.00 0.00 178.31 175.80 1ll1 h GLU 518 N 0.97 0.00 -0.42 1.11 4.11 -1.97 -2.55 114.58 115.83 1ll1 h GLU 518 Ca 0.20 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.50 1ll1 h GLU 518 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1ll1 h GLU 518 CO 0.01 0.50 -0.22 -0.44 0.07 0.00 0.00 179.01 178.94 1ll1 h ASP 519 N 0.00 0.92 -0.65 3.06 5.19 -1.83 -3.05 116.42 120.06 1ll1 h ASP 519 Ca -0.01 -0.41 -0.07 0.00 -0.62 0.00 0.00 57.03 55.92 1ll1 h ASP 519 Cb 1.03 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 40.26 1ll1 h ASP 519 CO 0.07 1.13 0.12 -0.07 -3.12 0.00 0.00 179.24 177.36 1ll1 h LEU 520 N 0.72 1.02 -3.22 1.55 3.38 -1.29 -3.48 115.31 113.98 1ll1 h LEU 520 Ca 0.09 -0.25 -0.29 0.00 0.09 0.00 0.00 57.88 57.52 1ll1 h LEU 520 Cb 0.79 -0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.12 1ll1 h LEU 520 CO 0.06 1.01 0.37 0.18 0.09 0.00 0.00 178.44 180.16 1ll1 n LEU 521 N -4.26 5.66 0.00 1.67 4.77 -0.97 -4.71 117.00 119.15 1ll1 n LEU 521 Ca 0.04 -2.92 0.00 0.00 -0.03 0.00 0.00 56.01 53.10 1ll1 n LEU 521 Cb 0.28 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.50 1ll1 n LEU 521 CO 0.42 1.00 0.00 -1.54 -1.33 0.00 0.00 177.39 175.95 1ll1 n SER 531 N 0.03 0.00 0.00 -1.43 3.41 -1.26 -5.06 113.62 109.31 1ll1 n SER 531 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1ll1 n SER 531 Cb 0.82 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 1ll1 n SER 531 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ll1 n GLU 532 N 0.00 0.00 0.14 4.33 1.02 -1.26 -3.25 120.64 121.62 1ll1 n GLU 532 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1ll1 n GLU 532 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 31.52 1ll1 n GLU 532 CO 0.00 0.00 0.00 2.48 1.18 0.00 0.00 177.13 180.79 1ll1 n TYR 533 N 0.70 0.12 -3.12 -0.32 4.11 -1.26 -4.78 117.16 112.62 1ll1 n TYR 533 Ca 0.00 0.06 -0.36 0.00 -0.00 0.00 0.00 57.90 57.61 1ll1 n TYR 533 Cb 0.00 -0.20 -0.06 0.00 -0.00 0.00 0.00 39.34 39.08 1ll1 n TYR 533 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1ll1 n SER 535 N 0.60 0.69 -4.77 0.00 7.64 -1.26 -4.95 113.62 111.56 1ll1 n SER 535 Ca -0.02 0.17 -0.40 0.00 1.01 0.00 0.00 58.87 59.63 1ll1 n SER 535 Cb 0.51 0.67 -0.00 0.00 -1.01 0.00 0.00 64.21 64.38 1ll1 n SER 535 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ll1 n GLY 537 N 0.64 4.51 3.75 0.00 0.00 -1.26 -4.69 105.19 108.15 1ll1 n GLY 537 Ca 0.02 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 1ll1 n GLY 537 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ll1 s TRP 538 N -1.23 3.04 0.16 1.61 -0.11 -0.39 -4.42 118.94 117.60 1ll1 s TRP 538 Ca 0.00 1.16 -0.32 0.00 1.22 0.00 0.00 56.10 58.16 1ll1 s TRP 538 Cb 0.00 -3.76 -0.12 0.00 -1.50 0.00 0.00 33.47 28.09 1ll1 s TRP 538 CO 0.00 -2.35 1.72 -0.35 -4.62 0.00 0.00 176.95 171.34 1ll1 n PRO 539 N 1.90 2.58 -0.33 5.86 -0.04 -1.26 -0.70 135.00 143.01 1ll1 n PRO 539 Ca 0.05 0.93 0.09 0.00 -0.04 0.00 0.00 63.50 64.53 1ll1 n PRO 539 Cb 0.41 -2.77 0.25 0.00 -0.04 0.00 0.00 33.50 31.35 1ll1 n PRO 539 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ll1 h SER 540 N 7.07 0.73 0.89 3.54 0.02 -1.92 -1.12 113.55 122.76 1ll1 h SER 540 Ca -0.45 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1ll1 h SER 540 Cb 1.22 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1ll1 h SER 540 CO 0.94 0.33 0.00 1.12 -1.14 0.00 0.00 176.83 178.07 1ll1 h HIS 541 N 0.78 0.00 -0.79 3.45 2.07 -1.90 -2.83 115.15 115.93 1ll1 h HIS 541 Ca 0.50 0.00 -0.34 0.00 -2.85 0.00 0.00 60.37 57.68 1ll1 h HIS 541 Cb 0.66 0.00 -0.20 0.00 2.57 0.00 0.00 27.41 30.44 1ll1 h HIS 541 CO -0.04 0.00 0.39 1.28 -3.07 0.00 0.00 177.93 176.49 1ll1 n LEU 542 N -2.86 6.04 -0.30 6.12 4.32 -0.43 -4.00 117.00 125.88 1ll1 n LEU 542 Ca 0.01 -3.47 -0.04 0.00 -0.02 0.00 0.00 56.01 52.48 1ll1 n LEU 542 Cb 0.27 -0.77 0.07 0.00 -1.62 0.00 0.00 43.42 41.38 1ll1 n LEU 542 CO 0.25 0.98 1.16 0.25 -1.22 0.00 0.00 177.39 178.81 1ll1 h LEU 543 N 1.65 1.00 -9.06 2.23 5.85 -1.53 -3.44 115.31 112.00 1ll1 h LEU 543 Ca 0.42 -0.08 -0.52 0.00 0.84 0.00 0.00 57.88 58.54 1ll1 h LEU 543 Cb 2.46 -0.25 -0.14 0.00 0.37 0.00 0.00 40.66 43.09 1ll1 h LEU 543 CO 0.84 0.79 -0.74 0.68 -0.34 0.00 0.00 178.44 179.67 1ll1 s VAL 544 N -5.92 2.03 0.99 1.05 -7.23 -1.26 -4.97 120.40 105.09 1ll1 s VAL 544 Ca -0.13 -2.28 -0.11 0.00 -1.81 0.00 0.00 61.98 57.65 1ll1 s VAL 544 Cb 0.16 -2.21 0.18 0.00 0.56 0.00 0.00 36.38 35.07 1ll1 s VAL 544 CO 0.81 -0.47 1.09 -2.84 -0.31 0.00 0.00 175.10 173.37 1ll1 s PRO 545 N -3.60 0.50 0.07 4.82 0.02 -1.26 -4.97 135.00 130.58 1ll1 s PRO 545 Ca 0.26 1.08 -0.18 0.00 0.02 0.00 0.00 61.00 62.19 1ll1 s PRO 545 Cb -0.02 -1.70 -0.10 0.00 0.02 0.00 0.00 34.50 32.70 1ll1 s PRO 545 CO 0.11 -2.84 1.42 -0.22 -0.33 0.00 0.00 177.00 175.14 1ll1 h LYS 546 N -2.00 0.50 0.00 5.54 3.64 -1.93 -3.48 116.57 118.85 1ll1 h LYS 546 Ca -0.51 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 58.63 1ll1 h LYS 546 Cb 1.29 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1ll1 h LYS 546 CO 0.49 0.79 0.00 0.41 -2.27 0.00 0.00 179.45 178.87 1ll1 n GLY 547 N 0.04 -1.55 3.26 5.01 0.00 -1.26 -3.94 105.19 106.75 1ll1 n GLY 547 Ca -0.04 -1.31 -0.14 0.00 0.00 0.00 0.00 46.02 44.52 1ll1 n GLY 547 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ll1 s ASN 548 N -4.00 0.98 0.28 1.61 4.22 -1.22 -4.65 114.94 112.16 1ll1 s ASN 548 Ca 0.00 -1.31 0.02 0.00 -2.14 0.00 0.00 52.86 49.44 1ll1 s ASN 548 Cb 0.00 0.19 0.60 0.00 1.28 0.00 0.00 41.25 43.32 1ll1 s ASN 548 CO 0.00 -0.70 1.81 0.16 -2.04 0.00 0.00 177.10 176.33 1ll1 h ILE 549 N 2.55 0.84 -0.53 0.54 3.07 -1.89 -0.35 117.51 121.75 1ll1 h ILE 549 Ca -0.37 -0.31 -0.07 0.00 1.55 0.00 0.00 64.86 65.67 1ll1 h ILE 549 Cb 1.23 -0.13 -0.02 0.00 -0.27 0.00 0.00 36.82 37.63 1ll1 h ILE 549 CO 0.60 0.16 0.06 0.11 -1.05 0.00 0.00 178.15 178.03 1ll1 h LYS 550 N 0.89 0.85 0.00 0.16 1.79 -1.92 -3.43 116.57 114.91 1ll1 h LYS 550 Ca 0.51 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1ll1 h LYS 550 Cb 0.61 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1ll1 h LYS 550 CO -0.31 0.81 0.00 0.41 -1.08 0.00 0.00 179.45 179.28 1ll1 n GLY 551 N -0.71 2.00 3.72 3.86 0.00 -0.16 -4.98 105.19 108.93 1ll1 n GLY 551 Ca 0.03 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 1ll1 n GLY 551 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1ll1 s MET 552 N -2.50 4.45 0.02 1.61 1.75 0.16 -4.78 119.30 120.01 1ll1 s MET 552 Ca 0.00 0.95 -0.30 0.00 -1.25 0.00 0.00 55.69 55.08 1ll1 s MET 552 Cb 0.00 -3.45 -0.04 0.00 2.84 0.00 0.00 34.83 34.19 1ll1 s MET 552 CO 0.00 0.06 1.06 -1.21 -0.65 0.00 0.00 175.02 174.28 1ll1 s GLU 553 N 0.80 4.51 0.07 4.11 2.02 -1.26 -1.25 118.70 127.70 1ll1 s GLU 553 Ca 0.39 1.54 0.04 0.00 0.02 0.00 0.00 54.97 56.97 1ll1 s GLU 553 Cb -0.18 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 1ll1 s GLU 553 CO 0.19 -0.13 -0.12 0.71 0.02 0.00 0.00 175.26 175.93 1ll1 s TYR 554 N 1.07 1.05 -0.18 1.61 1.51 -0.62 -2.58 117.35 119.21 1ll1 s TYR 554 Ca 0.54 -0.50 -0.20 0.00 -1.01 0.00 0.00 57.07 55.90 1ll1 s TYR 554 Cb -0.24 -0.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.99 1ll1 s TYR 554 CO 0.28 0.01 0.59 -1.01 -1.11 0.00 0.00 175.55 174.32 1ll1 s HIS 555 N -1.50 3.41 -0.51 2.71 3.76 0.11 -1.78 115.29 121.48 1ll1 s HIS 555 Ca -0.03 0.92 -0.15 0.00 -0.15 0.00 0.00 55.06 55.64 1ll1 s HIS 555 Cb -0.09 -2.74 0.10 0.00 1.11 0.00 0.00 32.58 30.96 1ll1 s HIS 555 CO 0.01 -0.10 0.44 -1.17 -0.85 0.00 0.00 174.74 173.08 1ll1 s LEU 556 N 1.61 5.90 -0.10 0.89 2.96 0.30 -1.89 118.68 128.34 1ll1 s LEU 556 Ca 0.28 -1.58 -0.16 0.00 -0.22 0.00 0.00 54.13 52.45 1ll1 s LEU 556 Cb -0.16 -2.19 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 1ll1 s LEU 556 CO 0.11 -0.75 0.40 0.12 -1.32 0.00 0.00 176.35 174.91 1ll1 s PHE 557 N 1.61 3.55 -0.03 5.38 5.36 -0.08 -0.57 117.98 133.20 1ll1 s PHE 557 Ca 0.04 0.82 0.02 0.00 -0.96 0.00 0.00 56.93 56.85 1ll1 s PHE 557 Cb -0.27 -2.43 0.01 0.00 -0.34 0.00 0.00 43.02 39.99 1ll1 s PHE 557 CO 0.05 0.30 -0.07 0.08 -1.46 0.00 0.00 175.22 174.11 1ll1 s VAL 558 N 0.19 0.66 -0.03 3.12 1.01 -0.10 -0.82 120.40 124.42 1ll1 s VAL 558 Ca 0.23 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1ll1 s VAL 558 Cb -0.15 -0.61 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1ll1 s VAL 558 CO 0.09 0.22 0.08 -0.32 0.00 0.00 0.00 175.10 175.17 1ll1 s MET 559 N 0.38 0.10 -0.14 2.72 0.00 0.36 -0.94 119.30 121.78 1ll1 s MET 559 Ca -0.05 0.09 0.01 0.00 0.00 0.00 0.00 55.69 55.73 1ll1 s MET 559 Cb -0.10 0.05 -0.00 0.00 0.00 0.00 0.00 34.83 34.78 1ll1 s MET 559 CO 0.00 -0.01 -0.17 -0.51 0.00 0.00 0.00 175.02 174.33 1ll1 s LEU 560 N -0.00 2.45 0.28 4.11 1.02 -0.39 0.13 118.68 126.28 1ll1 s LEU 560 Ca -0.00 -0.46 0.11 0.00 0.02 0.00 0.00 54.13 53.80 1ll1 s LEU 560 Cb -0.01 -1.54 -0.05 0.00 0.02 0.00 0.00 46.19 44.61 1ll1 s LEU 560 CO 0.00 0.12 -0.15 0.42 0.02 0.00 0.00 176.35 176.76 1ll1 s THR 561 N 0.60 2.72 -0.37 5.49 -4.23 -0.42 -4.68 115.64 114.75 1ll1 s THR 561 Ca -0.10 -2.28 -0.29 0.00 -1.18 0.00 0.00 61.69 57.85 1ll1 s THR 561 Cb -0.16 -2.45 -0.00 0.00 1.34 0.00 0.00 72.50 71.23 1ll1 s THR 561 CO 0.03 -0.39 1.61 -0.62 -0.54 0.00 0.00 174.62 174.71 1ll1 s ASP 562 N -3.55 6.11 0.52 3.99 -1.08 -1.26 -0.66 116.67 120.73 1ll1 s ASP 562 Ca 0.30 1.07 0.19 0.00 -0.52 0.00 0.00 52.55 53.59 1ll1 s ASP 562 Cb -0.05 -2.53 1.31 0.00 -1.46 0.00 0.00 42.92 40.18 1ll1 s ASP 562 CO 0.16 -1.57 2.08 -0.25 0.52 0.00 0.00 175.17 176.11 1ll1 h TRP 563 N 11.80 0.02 0.00 -5.34 7.01 -1.59 -0.75 115.95 127.10 1ll1 h TRP 563 Ca -0.31 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.69 1ll1 h TRP 563 Cb 1.14 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.19 1ll1 h TRP 563 CO 0.96 0.01 0.00 -0.44 -2.79 0.00 0.00 178.44 176.19 1ll1 h ASP 564 N 0.02 0.00 0.02 2.65 3.32 -1.90 0.26 116.42 120.80 1ll1 h ASP 564 Ca 0.11 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.95 1ll1 h ASP 564 Cb 0.42 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.93 1ll1 h ASP 564 CO -0.00 0.00 -2.20 0.29 -1.72 0.00 0.00 179.24 175.61 1ll1 n LYS 565 N -2.90 0.68 0.04 3.56 5.02 -0.32 -4.45 118.16 119.79 1ll1 n LYS 565 Ca -0.01 -0.08 -0.12 0.00 -2.02 0.00 0.00 58.31 56.08 1ll1 n LYS 565 Cb 0.17 -1.53 -0.14 0.00 -0.02 0.00 0.00 35.03 33.51 1ll1 n LYS 565 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1ll1 h ASP 566 N 0.00 0.19 -3.28 4.39 3.32 -0.99 -3.43 116.42 116.62 1ll1 h ASP 566 Ca -0.32 -0.27 -0.57 0.00 0.02 0.00 0.00 57.03 55.89 1ll1 h ASP 566 Cb 1.73 -0.06 0.11 0.00 0.22 0.00 0.00 39.33 41.32 1ll1 h ASP 566 CO 0.02 1.23 0.52 2.29 -1.72 0.00 0.00 179.24 181.57 1ll1 n LYS 567 N -3.33 2.13 0.06 3.56 2.85 0.84 -1.02 118.16 123.26 1ll1 n LYS 567 Ca -0.12 0.75 0.00 0.00 -1.05 0.00 0.00 58.31 57.88 1ll1 n LYS 567 Cb 1.02 -2.33 0.00 0.00 -0.65 0.00 0.00 35.03 33.06 1ll1 n LYS 567 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1ll1 n VAL 568 N 0.45 0.87 0.00 0.58 0.31 -1.26 -4.79 118.33 114.49 1ll1 n VAL 568 Ca 0.05 0.29 0.00 0.00 -0.01 0.00 0.00 64.34 64.67 1ll1 n VAL 568 Cb 0.36 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 1ll1 n VAL 568 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1ll1 n VAL 574 N -3.42 0.00 -3.21 2.52 0.24 -1.26 -4.87 118.33 108.33 1ll1 n VAL 574 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.12 1ll1 n VAL 574 Cb 0.05 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 1ll1 n VAL 574 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ll1 s ALA 575 N -1.79 4.40 -1.14 2.33 0.00 -1.26 -4.39 121.76 119.91 1ll1 s ALA 575 Ca 0.00 -1.59 -0.27 0.00 0.00 0.00 0.00 51.96 50.09 1ll1 s ALA 575 Cb 0.00 -1.63 0.03 0.00 0.00 0.00 0.00 23.12 21.52 1ll1 s ALA 575 CO 0.00 -0.18 0.70 0.00 0.00 0.00 0.00 175.76 176.28 1ll1 n VAL 577 N -4.53 1.77 0.03 0.00 0.31 -1.26 -3.84 118.33 110.81 1ll1 n VAL 577 Ca -0.13 -2.02 -0.02 0.00 -0.01 0.00 0.00 64.34 62.16 1ll1 n VAL 577 Cb 0.58 -0.11 0.26 0.00 -0.91 0.00 0.00 33.84 33.66 1ll1 n VAL 577 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ll1 h ASP 578 N 0.16 0.44 -1.16 4.52 3.58 -1.89 -3.16 116.42 118.91 1ll1 h ASP 578 Ca 0.00 -0.12 -0.46 0.00 0.42 0.00 0.00 57.03 56.87 1ll1 h ASP 578 Cb 0.95 -0.12 -0.41 0.00 1.72 0.00 0.00 39.33 41.47 1ll1 h ASP 578 CO 0.02 0.63 -0.97 0.00 -2.88 0.00 0.00 179.24 176.03 1ll1 n ALA 579 N -2.48 4.17 -0.18 -0.78 0.00 -1.25 -4.34 120.51 115.64 1ll1 n ALA 579 Ca 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 53.44 49.77 1ll1 n ALA 579 Cb 0.34 -0.73 0.06 0.00 0.00 0.00 0.00 19.45 19.12 1ll1 n ALA 579 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ll1 h VAL 580 N 2.95 0.49 -0.95 0.00 2.07 -1.23 0.15 116.25 119.74 1ll1 h VAL 580 Ca 0.10 -0.01 0.28 0.00 0.82 0.00 0.00 66.70 67.88 1ll1 h VAL 580 Cb 1.10 0.45 -0.14 0.00 -1.52 0.00 0.00 31.29 31.18 1ll1 h VAL 580 CO 0.64 0.01 0.41 0.28 0.02 0.00 0.00 177.57 178.93 1ll1 h SER 581 N 0.04 0.27 0.00 0.57 0.02 -1.71 0.49 113.55 113.24 1ll1 h SER 581 Ca 0.27 0.19 -0.24 0.00 -0.84 0.00 0.00 61.79 61.17 1ll1 h SER 581 Cb 0.41 0.20 -0.05 0.00 0.14 0.00 0.00 62.40 63.11 1ll1 h SER 581 CO -0.52 -0.14 -2.03 -1.22 -1.14 0.00 0.00 176.83 171.78 1ll1 n TYR 582 N -5.13 0.00 0.49 3.45 4.01 -0.96 -4.67 117.16 114.35 1ll1 n TYR 582 Ca 0.27 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 58.07 1ll1 n TYR 582 Cb 0.83 -0.71 -0.08 0.00 -0.31 0.00 0.00 39.34 39.07 1ll1 n TYR 582 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ll1 n GLY 584 N 1.38 -1.27 3.70 0.00 0.00 0.17 -4.88 105.19 104.28 1ll1 n GLY 584 Ca 0.02 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 1ll1 n GLY 584 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ll1 s ALA 585 N -1.36 3.32 -0.11 4.61 0.00 -1.26 -4.20 121.76 122.76 1ll1 s ALA 585 Ca 0.00 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 1ll1 s ALA 585 Cb 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1ll1 s ALA 585 CO 0.00 0.70 1.60 0.50 0.00 0.00 0.00 175.76 178.56 1ll1 s ARG 586 N -2.34 4.10 -1.39 0.00 6.06 -0.58 -3.68 118.95 121.12 1ll1 s ARG 586 Ca 0.26 2.00 -0.09 0.00 -2.50 0.00 0.00 55.73 55.40 1ll1 s ARG 586 Cb -0.12 -3.97 0.01 0.00 0.06 0.00 0.00 34.95 30.93 1ll1 s ARG 586 CO 0.19 -0.93 0.36 -3.47 -2.50 0.00 0.00 175.30 168.94 1ll1 n ASP 587 N 7.38 -1.15 -3.52 -2.12 2.03 -1.26 -4.45 116.55 113.46 1ll1 n ASP 587 Ca 0.17 -1.17 -0.14 0.00 0.52 0.00 0.00 54.79 54.17 1ll1 n ASP 587 Cb 0.44 -2.26 -0.05 0.00 -0.72 0.00 0.00 41.12 38.53 1ll1 n ASP 587 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1ll1 s HIS 588 N -3.98 -0.54 0.76 -0.67 2.46 -1.24 -5.04 115.29 107.04 1ll1 s HIS 588 Ca 0.15 0.82 -0.14 0.00 0.47 0.00 0.00 55.06 56.36 1ll1 s HIS 588 Cb -0.07 0.45 0.06 0.00 -0.13 0.00 0.00 32.58 32.88 1ll1 s HIS 588 CO 0.94 -0.56 1.19 0.15 -2.47 0.00 0.00 174.74 174.00 1ll1 s LYS 589 N -1.65 1.97 -0.05 2.88 1.02 -1.26 -4.45 119.74 118.20 1ll1 s LYS 589 Ca -0.06 1.70 -0.29 0.00 0.02 0.00 0.00 55.97 57.34 1ll1 s LYS 589 Cb -0.00 -1.82 -0.07 0.00 -0.52 0.00 0.00 37.83 35.42 1ll1 s LYS 589 CO 0.03 -1.95 1.98 -0.47 -0.92 0.00 0.00 175.35 174.02 1ll1 s TYR 590 N -2.13 1.35 -0.48 3.18 5.04 -1.26 -4.63 117.35 118.43 1ll1 s TYR 590 Ca 0.73 -0.10 0.00 0.00 -2.44 0.00 0.00 57.07 55.25 1ll1 s TYR 590 Cb -0.28 -4.13 0.00 0.00 0.35 0.00 0.00 41.96 37.91 1ll1 s TYR 590 CO 0.48 -4.91 0.14 -0.35 -1.34 0.00 0.00 175.55 169.57 1ll1 n PRO 591 N 7.82 0.19 -3.71 4.97 -0.04 -1.26 -4.59 135.00 138.38 1ll1 n PRO 591 Ca 0.22 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.54 1ll1 n PRO 591 Cb 0.42 -1.26 -0.15 0.00 -0.04 0.00 0.00 33.50 32.48 1ll1 n PRO 591 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ll1 s ASP 592 N 0.14 0.20 0.35 3.54 -1.08 -1.26 -4.37 116.67 114.19 1ll1 s ASP 592 Ca 0.00 0.35 0.22 0.00 -0.52 0.00 0.00 52.55 52.60 1ll1 s ASP 592 Cb 0.00 0.27 0.20 0.00 -1.46 0.00 0.00 42.92 41.94 1ll1 s ASP 592 CO 0.00 -0.19 1.41 0.50 0.52 0.00 0.00 175.17 177.41 1ll1 h LYS 593 N 7.70 0.00 -7.10 4.34 3.64 -1.33 -3.46 116.57 120.35 1ll1 h LYS 593 Ca -0.31 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.57 1ll1 h LYS 593 Cb 1.13 0.00 0.07 0.00 -0.41 0.00 0.00 32.23 33.02 1ll1 h LYS 593 CO 0.30 0.05 0.42 0.15 -2.27 0.00 0.00 179.45 178.10 1ll1 s LYS 594 N -3.23 3.32 0.33 1.90 -0.14 -1.26 -4.96 119.74 115.70 1ll1 s LYS 594 Ca 0.04 1.55 -0.29 0.00 -1.36 0.00 0.00 55.97 55.91 1ll1 s LYS 594 Cb 0.07 -2.01 -0.11 0.00 -1.68 0.00 0.00 37.83 34.10 1ll1 s LYS 594 CO 0.72 -0.87 1.51 -2.14 -0.76 0.00 0.00 175.35 173.81 1ll1 s PRO 595 N -3.42 4.14 -0.07 -1.68 0.02 -1.26 -4.86 135.00 127.87 1ll1 s PRO 595 Ca 0.71 2.53 -0.30 0.00 0.02 0.00 0.00 61.00 63.96 1ll1 s PRO 595 Cb -0.23 -3.01 -0.08 0.00 0.02 0.00 0.00 34.50 31.21 1ll1 s PRO 595 CO 0.29 -0.54 2.04 -1.33 -0.33 0.00 0.00 177.00 177.13 1ll1 n MET 596 N 1.24 2.42 0.00 5.54 2.81 -1.26 -1.53 117.12 126.34 1ll1 n MET 596 Ca 0.04 0.83 0.00 0.00 -1.81 0.00 0.00 57.70 56.76 1ll1 n MET 596 Cb 0.39 -2.99 0.00 0.00 -0.71 0.00 0.00 33.22 29.91 1ll1 n MET 596 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1ll1 n GLY 597 N 4.97 0.94 3.78 3.03 0.00 -1.26 -4.83 105.19 111.82 1ll1 n GLY 597 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 1ll1 n GLY 597 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ll1 s PHE 598 N -2.00 2.59 -0.35 1.61 5.36 -0.58 -0.28 117.98 124.33 1ll1 s PHE 598 Ca 0.00 1.19 0.02 0.00 -0.96 0.00 0.00 56.93 57.18 1ll1 s PHE 598 Cb 0.00 -4.00 0.44 0.00 -0.34 0.00 0.00 43.02 39.12 1ll1 s PHE 598 CO 0.00 -2.94 1.72 -0.35 -1.46 0.00 0.00 175.22 172.19 1ll1 n PRO 599 N 0.40 1.94 -0.07 10.12 -0.04 -1.26 -4.93 135.00 141.16 1ll1 n PRO 599 Ca 0.01 -2.16 0.09 0.00 -0.04 0.00 0.00 63.50 61.40 1ll1 n PRO 599 Cb 0.40 -1.85 0.12 0.00 -0.04 0.00 0.00 33.50 32.13 1ll1 n PRO 599 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1ll1 n PHE 600 N -0.57 0.18 0.16 0.54 3.72 0.61 -4.54 117.46 117.56 1ll1 n PHE 600 Ca 0.43 -0.12 0.02 0.00 -0.05 0.00 0.00 57.45 57.73 1ll1 n PHE 600 Cb 1.19 -0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.94 1ll1 n PHE 600 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1ll1 h ASP 601 N 3.44 0.00 -2.18 4.37 2.03 -1.85 -3.44 116.42 118.79 1ll1 h ASP 601 Ca 0.00 0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.80 1ll1 h ASP 601 Cb 0.77 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.23 1ll1 h ASP 601 CO 0.00 0.52 -0.51 -0.13 -1.03 0.00 0.00 179.24 178.09 1ll1 s ARG 602 N -3.48 2.98 0.41 4.15 0.52 -1.26 -4.83 118.95 117.44 1ll1 s ARG 602 Ca 0.00 -1.03 -0.26 0.00 -0.52 0.00 0.00 55.73 53.92 1ll1 s ARG 602 Cb 0.11 -2.60 -0.10 0.00 0.52 0.00 0.00 34.95 32.88 1ll1 s ARG 602 CO 0.73 0.39 1.38 -2.30 0.02 0.00 0.00 175.30 175.52 1ll1 n PRO 603 N -1.22 2.24 -3.96 3.54 -0.02 -1.26 -4.96 135.00 129.37 1ll1 n PRO 603 Ca -0.08 0.79 -0.34 0.00 -2.02 0.00 0.00 63.50 61.85 1ll1 n PRO 603 Cb 0.58 -2.53 -0.14 0.00 -0.02 0.00 0.00 33.50 31.38 1ll1 n PRO 603 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ll1 s ILE 604 N -1.16 2.81 -2.00 4.25 1.01 -1.26 -4.41 121.20 120.44 1ll1 s ILE 604 Ca 0.58 -1.21 0.20 0.00 0.00 0.00 0.00 60.65 60.23 1ll1 s ILE 604 Cb -0.49 -2.51 0.58 0.00 0.01 0.00 0.00 42.46 40.05 1ll1 s ILE 604 CO 0.60 0.08 1.67 1.41 0.00 0.00 0.00 174.94 178.70 1ll1 n HIS 605 N 4.63 0.00 -3.57 3.97 8.25 -1.26 -4.40 115.22 122.84 1ll1 n HIS 605 Ca -0.15 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.03 1ll1 n HIS 605 Cb 0.45 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 1ll1 n HIS 605 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ll1 s THR 606 N -2.00 5.14 -0.04 1.59 2.01 -1.26 -5.03 115.64 116.05 1ll1 s THR 606 Ca 0.30 -0.25 -0.22 0.00 0.31 0.00 0.00 61.69 61.84 1ll1 s THR 606 Cb 0.14 -3.74 -0.27 0.00 0.01 0.00 0.00 72.50 68.63 1ll1 s THR 606 CO 0.23 -0.24 0.97 -0.08 -0.69 0.00 0.00 174.62 174.81 1ll1 h GLU 607 N 1.82 0.31 -6.41 4.92 4.81 -1.98 -3.40 114.58 114.64 1ll1 h GLU 607 Ca -0.48 -0.42 -0.67 0.00 -0.13 0.00 0.00 59.36 57.66 1ll1 h GLU 607 Cb 1.19 0.14 -0.17 0.00 0.63 0.00 0.00 28.75 30.55 1ll1 h GLU 607 CO 0.67 1.15 -0.72 -1.01 -0.73 0.00 0.00 179.01 178.36 1ll1 s HIS 608 N -2.76 2.81 0.30 0.92 3.76 -1.26 -1.48 115.29 117.58 1ll1 s HIS 608 Ca -0.14 -0.10 0.22 0.00 -0.15 0.00 0.00 55.06 54.88 1ll1 s HIS 608 Cb 0.02 -1.53 1.03 0.00 1.11 0.00 0.00 32.58 33.20 1ll1 s HIS 608 CO 0.81 0.39 1.90 -0.84 -0.85 0.00 0.00 174.74 176.15 1ll1 h ILE 609 N 3.52 0.79 -0.04 0.60 3.07 -1.91 -2.76 117.51 120.77 1ll1 h ILE 609 Ca -0.48 -1.01 -0.01 0.00 1.55 0.00 0.00 64.86 64.91 1ll1 h ILE 609 Cb 1.17 1.62 -0.00 0.00 -0.27 0.00 0.00 36.82 39.33 1ll1 h ILE 609 CO 0.53 0.24 -0.01 0.28 -1.05 0.00 0.00 178.15 178.15 1ll1 h SER 610 N 0.00 0.05 0.14 2.16 0.02 -1.98 -0.31 113.55 113.63 1ll1 h SER 610 Ca -0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ll1 h SER 610 Cb 0.60 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1ll1 h SER 610 CO 0.03 0.07 -0.07 0.47 -1.14 0.00 0.00 176.83 176.19 1ll1 n ASP 611 N -4.49 0.82 0.00 3.07 8.00 -1.04 -3.37 116.55 119.54 1ll1 n ASP 611 Ca -0.02 -1.03 0.08 0.00 0.71 0.00 0.00 54.79 54.53 1ll1 n ASP 611 Cb 0.12 -0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.08 1ll1 n ASP 611 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1ll1 n PHE 612 N -0.52 0.23 -1.89 1.24 7.35 -0.17 -4.98 117.46 118.73 1ll1 n PHE 612 Ca 0.18 0.07 -0.42 0.00 -0.76 0.00 0.00 57.45 56.52 1ll1 n PHE 612 Cb 0.28 -0.67 -0.02 0.00 0.35 0.00 0.00 39.48 39.41 1ll1 n PHE 612 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1ll1 s LEU 613 N -4.86 4.37 0.45 -2.13 1.43 -0.97 -5.03 118.68 111.94 1ll1 s LEU 613 Ca -0.07 2.76 0.08 0.00 -1.03 0.00 0.00 54.13 55.87 1ll1 s LEU 613 Cb 0.12 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.73 1ll1 s LEU 613 CO 0.87 -0.83 0.50 0.42 0.23 0.00 0.00 176.35 177.54 1ll1 s THR 614 N 0.41 2.58 0.47 5.49 -4.23 -1.26 -4.99 115.64 114.11 1ll1 s THR 614 Ca 0.65 -1.21 0.16 0.00 -1.18 0.00 0.00 61.69 60.11 1ll1 s THR 614 Cb -0.45 -2.79 0.31 0.00 1.34 0.00 0.00 72.50 70.92 1ll1 s THR 614 CO 0.40 0.00 2.04 0.78 -0.54 0.00 0.00 174.62 177.31 1ll1 h ASN 615 N 0.76 0.21 -0.25 3.99 -0.26 -1.95 -1.01 115.58 117.08 1ll1 h ASN 615 Ca -0.39 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.35 1ll1 h ASN 615 Cb 1.28 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 38.49 1ll1 h ASN 615 CO 0.51 0.14 0.00 -0.46 -1.06 0.00 0.00 177.43 176.56 1ll1 n ASN 616 N -4.47 2.15 -4.41 5.81 6.94 -1.26 -0.99 115.26 119.03 1ll1 n ASN 616 Ca 0.05 -2.18 -0.22 0.00 -0.02 0.00 0.00 54.58 52.21 1ll1 n ASN 616 Cb 0.28 -0.38 -0.10 0.00 -2.36 0.00 0.00 39.78 37.22 1ll1 n ASN 616 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1ll1 s MET 617 N -1.65 1.49 -0.28 -3.83 -1.94 -0.39 -1.26 119.30 111.45 1ll1 s MET 617 Ca 0.19 -1.63 -0.21 0.00 -1.71 0.00 0.00 55.69 52.33 1ll1 s MET 617 Cb 0.13 -1.52 0.12 0.00 2.01 0.00 0.00 34.83 35.57 1ll1 s MET 617 CO 0.09 0.29 0.97 0.12 -0.01 0.00 0.00 175.02 176.48 1ll1 s PHE 618 N -2.46 -0.57 -0.08 -0.03 2.19 -0.12 -4.68 117.98 112.24 1ll1 s PHE 618 Ca 0.24 1.27 0.03 0.00 0.33 0.00 0.00 56.93 58.81 1ll1 s PHE 618 Cb -0.04 0.37 -0.02 0.00 -1.31 0.00 0.00 43.02 42.03 1ll1 s PHE 618 CO 0.11 -0.28 -0.18 0.42 1.83 0.00 0.00 175.22 177.12 1ll1 s ILE 619 N 0.70 2.64 -0.10 3.12 1.01 -1.26 -0.93 121.20 126.39 1ll1 s ILE 619 Ca -0.02 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.82 1ll1 s ILE 619 Cb -0.05 -2.04 0.00 0.00 0.01 0.00 0.00 42.46 40.39 1ll1 s ILE 619 CO -0.10 0.56 -0.21 -0.75 0.00 0.00 0.00 174.94 174.45 1ll1 s LYS 620 N -0.11 2.70 -0.48 2.79 2.47 0.27 -4.92 119.74 122.47 1ll1 s LYS 620 Ca -0.03 -0.76 -0.28 0.00 -1.56 0.00 0.00 55.97 53.34 1ll1 s LYS 620 Cb -0.14 -2.09 0.03 0.00 -1.46 0.00 0.00 37.83 34.17 1ll1 s LYS 620 CO 0.04 0.12 1.07 -0.51 0.16 0.00 0.00 175.35 176.23 1ll1 s ASP 621 N 0.49 6.58 0.55 1.43 1.01 -1.26 -0.54 116.67 124.92 1ll1 s ASP 621 Ca -0.16 0.32 0.04 0.00 0.71 0.00 0.00 52.55 53.46 1ll1 s ASP 621 Cb -0.17 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.27 1ll1 s ASP 621 CO 0.06 -1.20 0.32 0.27 0.21 0.00 0.00 175.17 174.83 1ll1 s ILE 622 N 4.26 1.47 0.00 0.77 -4.36 -0.74 -4.97 121.20 117.63 1ll1 s ILE 622 Ca 0.44 -1.61 -0.01 0.00 -0.26 0.00 0.00 60.65 59.21 1ll1 s ILE 622 Cb -0.08 -2.08 -0.01 0.00 1.25 0.00 0.00 42.46 41.55 1ll1 s ILE 622 CO 0.30 0.00 0.01 -0.54 0.24 0.00 0.00 174.94 174.95 1ll1 s LYS 623 N -4.20 0.21 -0.17 0.37 1.02 -0.79 -1.59 119.74 114.59 1ll1 s LYS 623 Ca 0.26 -0.31 0.01 0.00 0.02 0.00 0.00 55.97 55.95 1ll1 s LYS 623 Cb -0.02 0.08 0.01 0.00 -0.52 0.00 0.00 37.83 37.39 1ll1 s LYS 623 CO 0.16 -0.04 -0.19 0.42 -0.92 0.00 0.00 175.35 174.78 1ll1 s ILE 624 N -0.82 2.18 -0.12 2.17 1.01 -0.38 -0.45 121.20 124.79 1ll1 s ILE 624 Ca -0.09 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1ll1 s ILE 624 Cb -0.06 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1ll1 s ILE 624 CO -0.00 0.53 -0.17 -0.54 0.00 0.00 0.00 174.94 174.76 1ll1 s LYS 625 N 1.12 3.25 0.08 2.79 1.02 0.26 -0.67 119.74 127.59 1ll1 s LYS 625 Ca 0.01 -0.75 -0.14 0.00 0.02 0.00 0.00 55.97 55.10 1ll1 s LYS 625 Cb -0.14 -2.51 -0.06 0.00 -0.52 0.00 0.00 37.83 34.60 1ll1 s LYS 625 CO -0.08 0.21 0.48 0.12 -0.92 0.00 0.00 175.35 175.16 1ll1 s PHE 626 N 0.32 3.67 -0.31 3.18 5.36 -1.10 -0.02 117.98 129.07 1ll1 s PHE 626 Ca -0.13 1.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.81 1ll1 s PHE 626 Cb -0.17 -2.31 0.04 0.00 -0.34 0.00 0.00 43.02 40.24 1ll1 s PHE 626 CO 0.07 0.54 0.04 -3.38 -1.46 0.00 0.00 175.22 171.03 1ll1 s HIS 627 N -1.29 3.24 -2.00 10.12 -0.00 0.51 -4.24 115.29 121.63 1ll1 s HIS 627 Ca 0.31 -1.60 0.04 0.00 -0.00 0.00 0.00 55.06 53.81 1ll1 s HIS 627 Cb -0.16 -2.18 0.24 0.00 -0.00 0.00 0.00 32.58 30.48 1ll1 s HIS 627 CO 0.17 -0.75 0.72 0.39 -0.00 0.00 0.00 174.74 175.27