#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ls8 n GLN 2 N 0.00 0.00 0.16 1.43 0.00 -1.26 -4.44 117.38 113.27 1ls8 n GLN 2 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.00 56.87 1ls8 n GLN 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 1ls8 n GLN 2 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1ls8 h GLU 3 N 0.00 -0.39 -0.92 3.69 4.81 -2.02 -0.69 114.58 119.07 1ls8 h GLU 3 Ca 0.00 0.03 0.24 0.00 -0.13 0.00 0.00 59.36 59.49 1ls8 h GLU 3 Cb 0.00 0.09 -0.13 0.00 0.63 0.00 0.00 28.75 29.34 1ls8 h GLU 3 CO 0.00 -0.08 0.43 0.28 -0.73 0.00 0.00 179.01 178.90 1ls8 h VAL 4 N -0.72 0.45 0.01 0.32 2.07 -1.94 0.28 116.25 116.73 1ls8 h VAL 4 Ca -0.04 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1ls8 h VAL 4 Cb 0.49 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1ls8 h VAL 4 CO 0.07 0.07 -0.01 0.24 0.02 0.00 0.00 177.57 177.96 1ls8 h MET 5 N 0.40 -0.02 -0.81 1.57 2.86 -1.66 0.17 114.93 117.44 1ls8 h MET 5 Ca 0.59 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 58.37 1ls8 h MET 5 Cb 1.15 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.73 1ls8 h MET 5 CO -0.54 0.58 0.40 -0.22 1.06 0.00 0.00 176.91 178.19 1ls8 h LYS 6 N -0.64 0.57 0.20 1.72 3.64 -0.85 -3.16 116.57 118.06 1ls8 h LYS 6 Ca -0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1ls8 h LYS 6 Cb 0.61 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1ls8 h LYS 6 CO 0.00 0.38 -0.10 -0.97 -2.27 0.00 0.00 179.45 176.49 1ls8 h ASN 7 N 0.59 -0.23 0.00 4.20 -1.24 -0.06 -2.92 115.58 115.92 1ls8 h ASN 7 Ca 0.44 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.30 1ls8 h ASN 7 Cb 0.60 0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.71 1ls8 h ASN 7 CO -0.36 0.02 0.19 -0.07 -1.29 0.00 0.00 177.43 175.93 1ls8 h LEU 8 N -0.48 0.00 -6.00 0.34 3.38 -0.93 -3.33 115.31 108.28 1ls8 h LEU 8 Ca -0.03 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.28 1ls8 h LEU 8 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ls8 h LEU 8 CO 0.05 0.00 2.90 -1.20 0.09 0.00 0.00 178.44 180.28 1ls8 n SER 9 N -2.24 4.04 0.00 -0.43 7.64 -1.10 -4.34 113.62 117.18 1ls8 n SER 9 Ca -0.01 -2.72 0.00 0.00 1.01 0.00 0.00 58.87 57.15 1ls8 n SER 9 Cb 0.22 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 1ls8 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ls8 n LEU 10 N 6.13 0.00 0.31 -3.43 -0.00 -1.25 -4.74 117.00 114.02 1ls8 n LEU 10 Ca 0.53 0.00 0.18 0.00 -0.00 0.00 0.00 56.01 56.73 1ls8 n LEU 10 Cb 0.36 0.00 1.03 0.00 -0.00 0.00 0.00 43.42 44.81 1ls8 n LEU 10 CO 0.93 0.00 1.15 0.78 -0.00 0.00 0.00 177.39 180.25 1ls8 h ASN 11 N 0.00 0.00 -0.73 1.45 2.35 -1.94 -1.14 115.58 115.57 1ls8 h ASN 11 Ca 0.00 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.90 1ls8 h ASN 11 Cb 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.23 1ls8 h ASN 11 CO 0.00 0.00 -0.17 0.15 -1.65 0.00 0.00 177.43 175.76 1ls8 h PHE 12 N 0.00 -0.36 0.00 1.19 3.57 -1.87 -0.07 116.94 119.41 1ls8 h PHE 12 Ca 0.00 0.06 -0.13 0.00 3.53 0.00 0.00 57.97 61.44 1ls8 h PHE 12 Cb 0.01 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1ls8 h PHE 12 CO 0.00 -0.31 -1.90 0.41 -2.23 0.00 0.00 178.31 174.28 1ls8 n GLY 13 N -1.48 -0.77 0.23 2.40 0.00 -0.69 -4.03 105.19 100.85 1ls8 n GLY 13 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 1ls8 n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ls8 h LYS 14 N 0.00 0.51 0.00 1.61 3.64 -1.14 0.26 116.57 121.45 1ls8 h LYS 14 Ca -0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1ls8 h LYS 14 Cb 1.30 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1ls8 h LYS 14 CO 0.01 0.34 0.00 0.00 -2.27 0.00 0.00 179.45 177.53 1ls8 n ALA 15 N -2.37 1.85 0.19 5.00 0.00 -0.05 -2.74 120.51 122.39 1ls8 n ALA 15 Ca 0.07 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.56 1ls8 n ALA 15 Cb 0.18 -1.37 0.47 0.00 0.00 0.00 0.00 19.45 18.74 1ls8 n ALA 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ls8 h LEU 16 N 0.00 0.07 -0.92 0.00 5.85 -1.07 -2.18 115.31 117.06 1ls8 h LEU 16 Ca 0.00 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.85 1ls8 h LEU 16 Cb 0.41 -0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.33 1ls8 h LEU 16 CO 0.00 0.23 0.53 0.44 -0.34 0.00 0.00 178.44 179.30 1ls8 h ASP 17 N 0.08 0.70 -0.02 1.25 3.32 -1.56 0.41 116.42 120.61 1ls8 h ASP 17 Ca 0.02 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 1ls8 h ASP 17 Cb 0.31 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.82 1ls8 h ASP 17 CO 0.02 0.32 -0.29 -0.33 -1.72 0.00 0.00 179.24 177.24 1ls8 h GLU 18 N 0.77 0.23 -0.88 3.56 5.08 -1.60 -1.38 114.58 120.35 1ls8 h GLU 18 Ca 0.49 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1ls8 h GLU 18 Cb 0.62 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 1ls8 h GLU 18 CO -0.33 0.92 0.58 0.00 -1.00 0.00 0.00 179.01 179.19 1ls8 h LYS 20 N 1.18 0.77 0.33 0.00 1.57 -0.12 0.53 116.57 120.82 1ls8 h LYS 20 Ca 0.33 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1ls8 h LYS 20 Cb -0.12 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.05 1ls8 h LYS 20 CO -0.07 0.61 -0.16 -0.22 -0.57 0.00 0.00 179.45 179.04 1ls8 h LYS 21 N 0.73 -0.43 0.78 3.15 3.11 -0.48 -0.70 116.57 122.73 1ls8 h LYS 21 Ca 0.19 0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 58.02 1ls8 h LYS 21 Cb 0.08 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 31.41 1ls8 h LYS 21 CO -0.03 -0.25 -0.40 0.93 -2.81 0.00 0.00 179.45 176.89 1ls8 h GLU 22 N -0.50 -1.04 0.00 1.90 5.08 -0.16 -2.74 114.58 117.12 1ls8 h GLU 22 Ca -0.05 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ls8 h GLU 22 Cb 0.37 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ls8 h GLU 22 CO 0.07 -0.70 0.00 -1.33 -1.00 0.00 0.00 179.01 176.06 1ls8 n MET 23 N -5.56 0.16 -3.18 2.33 2.81 0.13 -4.93 117.12 108.88 1ls8 n MET 23 Ca -0.15 0.31 -0.18 0.00 -1.81 0.00 0.00 57.70 55.87 1ls8 n MET 23 Cb 0.44 -1.77 0.02 0.00 -0.71 0.00 0.00 33.22 31.20 1ls8 n MET 23 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1ls8 n THR 24 N -2.06 -7.98 -3.11 2.03 -1.04 -0.88 -5.04 114.28 96.20 1ls8 n THR 24 Ca 0.04 0.39 -0.22 0.00 -2.04 0.00 0.00 64.05 62.21 1ls8 n THR 24 Cb 0.28 -5.65 0.01 0.00 -1.82 0.00 0.00 70.33 63.14 1ls8 n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1ls8 s LEU 25 N -3.00 3.74 0.00 -4.42 1.43 -0.32 -5.04 118.68 111.07 1ls8 s LEU 25 Ca 0.23 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1ls8 s LEU 25 Cb -0.04 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 43.06 1ls8 s LEU 25 CO 0.81 -0.61 0.00 0.35 0.23 0.00 0.00 176.35 177.13 1ls8 n THR 26 N -1.98 0.00 -0.55 5.49 -2.24 -1.26 -4.89 114.28 108.86 1ls8 n THR 26 Ca 0.00 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1ls8 n THR 26 Cb 0.58 -1.59 0.15 0.00 -2.10 0.00 0.00 70.33 67.37 1ls8 n THR 26 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ls8 n ASP 27 N -0.25 2.89 -0.20 3.42 2.03 -1.26 -4.55 116.55 118.64 1ls8 n ASP 27 Ca 0.00 -2.50 -0.09 0.00 0.52 0.00 0.00 54.79 52.71 1ls8 n ASP 27 Cb 0.00 -0.31 0.02 0.00 -0.72 0.00 0.00 41.12 40.11 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ls8 h ALA 28 N 1.13 0.78 0.00 -1.67 0.00 -2.00 -2.88 119.26 114.62 1ls8 h ALA 28 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ls8 h ALA 28 Cb 0.94 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1ls8 h ALA 28 CO 0.06 0.62 0.00 -0.84 0.00 0.00 0.00 179.25 179.09 1ls8 h ILE 29 N 0.92 0.00 -0.40 0.00 3.07 -1.95 -0.23 117.51 118.92 1ls8 h ILE 29 Ca 0.16 -0.23 -0.08 0.00 1.55 0.00 0.00 64.86 66.27 1ls8 h ILE 29 Cb 0.55 1.17 -0.02 0.00 -0.27 0.00 0.00 36.82 38.25 1ls8 h ILE 29 CO 0.03 0.00 -0.07 -1.13 -1.05 0.00 0.00 178.15 175.93 1ls8 h ASN 30 N 0.00 0.66 0.65 2.16 -0.73 -1.82 -1.28 115.58 115.22 1ls8 h ASN 30 Ca 0.00 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.00 1ls8 h ASN 30 Cb 0.24 -0.18 0.00 0.00 0.27 0.00 0.00 38.32 38.65 1ls8 h ASN 30 CO 0.00 0.77 -1.30 -0.62 -0.37 0.00 0.00 177.43 175.91 1ls8 n GLU 31 N -4.20 0.59 0.13 6.67 -0.58 -0.29 -3.19 120.64 119.78 1ls8 n GLU 31 Ca 0.02 0.02 -0.06 0.00 -0.42 0.00 0.00 57.16 56.71 1ls8 n GLU 31 Cb 0.32 -1.72 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 1ls8 n GLU 31 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1ls8 h ASP 32 N 0.00 -0.32 -0.98 1.62 3.32 -1.11 -3.38 116.42 115.57 1ls8 h ASP 32 Ca 0.00 0.01 0.17 0.00 0.02 0.00 0.00 57.03 57.23 1ls8 h ASP 32 Cb 0.98 0.08 -0.09 0.00 0.22 0.00 0.00 39.33 40.52 1ls8 h ASP 32 CO 0.00 -0.06 0.61 -0.26 -1.72 0.00 0.00 179.24 177.82 1ls8 h PHE 33 N -0.73 0.97 -2.72 4.55 -1.00 -1.36 -2.38 116.94 114.27 1ls8 h PHE 33 Ca -0.04 0.03 -0.72 0.00 2.81 0.00 0.00 57.97 60.05 1ls8 h PHE 33 Cb 0.29 -0.30 -0.20 0.00 3.61 0.00 0.00 35.95 39.36 1ls8 h PHE 33 CO 0.04 0.27 0.75 -0.47 -1.61 0.00 0.00 178.31 177.29 1ls8 s TYR 34 N -5.78 3.38 -0.32 -0.55 5.04 -1.19 -1.45 117.35 116.47 1ls8 s TYR 34 Ca -0.11 -1.71 -0.03 0.00 -2.44 0.00 0.00 57.07 52.78 1ls8 s TYR 34 Cb 0.24 -4.17 0.00 0.00 0.35 0.00 0.00 41.96 38.38 1ls8 s TYR 34 CO 0.80 -1.34 0.12 -1.71 -1.34 0.00 0.00 175.55 172.08 1ls8 n ASN 35 N 5.67 -7.79 0.00 4.32 2.85 -0.38 -4.85 115.26 115.08 1ls8 n ASN 35 Ca 0.24 1.20 0.00 0.00 -0.11 0.00 0.00 54.58 55.91 1ls8 n ASN 35 Cb 0.47 -5.19 0.00 0.00 1.24 0.00 0.00 39.78 36.30 1ls8 n ASN 35 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 1ls8 n PHE 36 N 0.47 0.00 -1.87 1.20 3.01 -0.90 -4.82 117.46 114.55 1ls8 n PHE 36 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1ls8 n PHE 36 Cb 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1ls8 n PHE 36 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1ls8 n TRP 37 N 0.00 0.00 -0.23 1.38 5.03 -1.26 -4.85 117.44 117.52 1ls8 n TRP 37 Ca 0.00 0.00 0.01 0.00 3.03 0.00 0.00 57.50 60.54 1ls8 n TRP 37 Cb 0.00 0.00 -0.00 0.00 -1.03 0.00 0.00 31.31 30.28 1ls8 n TRP 37 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 1ls8 n LYS 38 N -0.43 -0.58 0.00 -0.99 4.01 -1.26 -4.96 118.16 113.96 1ls8 n LYS 38 Ca 0.00 0.46 0.00 0.00 -0.51 0.00 0.00 58.31 58.26 1ls8 n LYS 38 Cb 0.00 -0.59 0.00 0.00 -0.51 0.00 0.00 35.03 33.93 1ls8 n LYS 38 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1ls8 n GLU 39 N -1.87 -0.43 -0.06 1.97 0.28 -1.26 -4.63 120.64 114.63 1ls8 n GLU 39 Ca -0.00 -0.58 0.00 0.00 -0.16 0.00 0.00 57.16 56.41 1ls8 n GLU 39 Cb 0.08 -0.96 0.00 0.00 1.43 0.00 0.00 31.44 32.00 1ls8 n GLU 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ls8 n GLY 40 N -0.06 0.15 2.86 -1.84 0.00 -1.26 -4.88 105.19 100.17 1ls8 n GLY 40 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ls8 n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ls8 s TYR 41 N 0.00 1.57 -0.15 1.61 6.14 -1.26 -5.11 117.35 120.15 1ls8 s TYR 41 Ca 0.00 -1.03 -0.29 0.00 0.64 0.00 0.00 57.07 56.39 1ls8 s TYR 41 Cb 0.00 -1.25 -0.01 0.00 0.42 0.00 0.00 41.96 41.12 1ls8 s TYR 41 CO 0.00 -0.61 1.10 -2.00 0.64 0.00 0.00 175.55 174.68 1ls8 s GLU 42 N 1.68 4.32 0.35 4.97 2.12 -1.26 -4.77 118.70 126.10 1ls8 s GLU 42 Ca 0.00 1.47 -0.28 0.00 0.36 0.00 0.00 54.97 56.52 1ls8 s GLU 42 Cb -0.16 -3.62 -0.11 0.00 0.26 0.00 0.00 34.13 30.51 1ls8 s GLU 42 CO -0.07 -0.52 1.44 0.42 -0.54 0.00 0.00 175.26 175.99 1ls8 s ILE 43 N 2.73 2.28 -0.01 -3.70 1.01 -1.26 -4.95 121.20 117.30 1ls8 s ILE 43 Ca 0.49 0.27 0.22 0.00 0.00 0.00 0.00 60.65 61.64 1ls8 s ILE 43 Cb -0.19 -3.17 0.21 0.00 0.01 0.00 0.00 42.46 39.32 1ls8 s ILE 43 CO 0.14 0.06 1.71 0.11 0.00 0.00 0.00 174.94 176.96 1ls8 h LYS 44 N 3.37 0.00 -5.37 2.79 1.57 -2.03 -3.46 116.57 113.43 1ls8 h LYS 44 Ca -0.50 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.80 1ls8 h LYS 44 Cb 1.23 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 1ls8 h LYS 44 CO 0.66 0.26 1.68 0.09 -0.57 0.00 0.00 179.45 181.57 1ls8 n ASN 45 N -3.30 1.46 0.25 0.86 4.13 -1.26 -4.81 115.26 112.59 1ls8 n ASN 45 Ca 0.01 -0.18 0.11 0.00 1.68 0.00 0.00 54.58 56.20 1ls8 n ASN 45 Cb 0.52 -1.29 0.66 0.00 -1.54 0.00 0.00 39.78 38.12 1ls8 n ASN 45 CO 0.00 0.00 0.00 0.08 0.28 0.00 0.00 177.26 177.62 1ls8 h ARG 46 N 16.12 0.00 -0.68 3.52 -0.00 -1.94 -3.25 114.38 128.15 1ls8 h ARG 46 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.82 1ls8 h ARG 46 Cb 1.29 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 31.23 1ls8 h ARG 46 CO 1.25 0.15 0.43 0.93 -0.00 0.00 0.00 179.97 182.74 1ls8 h GLU 47 N 0.00 0.91 0.73 0.08 5.08 -1.97 0.22 114.58 119.62 1ls8 h GLU 47 Ca -0.00 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1ls8 h GLU 47 Cb 0.42 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1ls8 h GLU 47 CO 0.02 0.62 -0.35 1.15 -1.00 0.00 0.00 179.01 179.45 1ls8 h THR 48 N 0.93 0.00 0.00 1.13 2.02 -1.94 -0.91 112.91 114.14 1ls8 h THR 48 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.43 1ls8 h THR 48 Cb -0.07 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.34 1ls8 h THR 48 CO -0.05 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.45 1ls8 n GLY 49 N -1.49 -1.60 0.18 2.16 0.00 -1.17 -0.87 105.19 102.40 1ls8 n GLY 49 Ca -0.12 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1ls8 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ls8 h ALA 51 N 0.73 1.22 -0.00 0.00 0.00 0.15 -0.79 119.26 120.56 1ls8 h ALA 51 Ca 0.05 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1ls8 h ALA 51 Cb 0.28 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ls8 h ALA 51 CO -0.13 0.51 0.00 0.82 0.00 0.00 0.00 179.25 180.45 1ls8 h ILE 52 N 0.44 1.12 -0.55 0.00 2.04 -0.87 0.26 117.51 119.95 1ls8 h ILE 52 Ca 0.08 -0.36 0.04 0.00 1.00 0.00 0.00 64.86 65.62 1ls8 h ILE 52 Cb 0.54 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1ls8 h ILE 52 CO 0.03 0.09 0.31 -0.03 0.00 0.00 0.00 178.15 178.56 1ls8 h MET 53 N -0.14 0.59 -0.10 2.37 4.05 -0.89 -1.56 114.93 119.25 1ls8 h MET 53 Ca 0.00 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.43 1ls8 h MET 53 Cb 0.15 -0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 30.76 1ls8 h MET 53 CO -0.00 0.39 -0.37 0.00 0.23 0.00 0.00 176.91 177.16 1ls8 h LEU 55 N -0.46 -0.85 -0.85 0.00 3.38 -0.28 0.20 115.31 116.44 1ls8 h LEU 55 Ca 0.08 0.15 -0.10 0.00 0.09 0.00 0.00 57.88 58.10 1ls8 h LEU 55 Cb 0.59 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1ls8 h LEU 55 CO -0.36 -0.30 -0.49 0.28 0.09 0.00 0.00 178.44 177.67 1ls8 h SER 56 N -0.27 0.00 0.55 -0.43 0.02 -0.94 0.70 113.55 113.18 1ls8 h SER 56 Ca 0.14 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1ls8 h SER 56 Cb 0.49 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1ls8 h SER 56 CO -0.41 0.49 -0.32 0.74 -1.14 0.00 0.00 176.83 176.19 1ls8 h THR 57 N 0.00 0.35 -0.05 -2.27 2.02 -0.49 0.20 112.91 112.67 1ls8 h THR 57 Ca -0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 1ls8 h THR 57 Cb 0.99 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1ls8 h THR 57 CO 0.06 0.00 -0.37 0.11 0.37 0.00 0.00 175.52 175.69 1ls8 h LYS 58 N -0.82 0.10 0.00 6.66 1.79 -0.15 -0.64 116.57 123.51 1ls8 h LYS 58 Ca -0.07 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1ls8 h LYS 58 Cb 0.66 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.30 1ls8 h LYS 58 CO 0.08 0.46 0.00 1.28 -1.08 0.00 0.00 179.45 180.19 1ls8 n LEU 59 N -4.08 0.00 -1.93 2.94 4.77 0.16 -4.89 117.00 113.97 1ls8 n LEU 59 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1ls8 n LEU 59 Cb 0.43 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1ls8 n LEU 59 CO 0.40 0.00 -0.15 0.59 -1.33 0.00 0.00 177.39 176.90 1ls8 n ASN 60 N -0.88 -3.86 0.38 -1.43 3.02 -0.25 -4.90 115.26 107.34 1ls8 n ASN 60 Ca 0.17 0.25 -0.15 0.00 -0.03 0.00 0.00 54.58 54.81 1ls8 n ASN 60 Cb 0.08 -3.42 -0.07 0.00 -0.61 0.00 0.00 39.78 35.76 1ls8 n ASN 60 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1ls8 h MET 61 N 0.00 -0.94 -6.69 3.52 4.05 -1.15 -3.45 114.93 110.26 1ls8 h MET 61 Ca -0.30 0.06 -0.50 0.00 -0.28 0.00 0.00 59.70 58.68 1ls8 h MET 61 Cb 1.06 0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 32.08 1ls8 h MET 61 CO 0.39 -0.63 0.01 -0.51 0.23 0.00 0.00 176.91 176.40 1ls8 s LEU 62 N -8.82 3.93 0.74 3.39 1.43 -1.06 -4.38 118.68 113.91 1ls8 s LEU 62 Ca -0.14 0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 53.81 1ls8 s LEU 62 Cb 0.01 -3.81 0.04 0.00 0.03 0.00 0.00 46.19 42.46 1ls8 s LEU 62 CO 0.43 -0.31 1.07 -1.81 0.23 0.00 0.00 176.35 175.97 1ls8 s ASP 63 N -3.13 4.93 -0.00 2.29 1.11 -1.16 -4.83 116.67 115.87 1ls8 s ASP 63 Ca 0.48 1.63 -0.03 0.00 0.18 0.00 0.00 52.55 54.81 1ls8 s ASP 63 Cb -0.10 -2.43 -0.13 0.00 1.07 0.00 0.00 42.92 41.33 1ls8 s ASP 63 CO 0.30 -1.74 2.80 -0.81 1.18 0.00 0.00 175.17 176.91 1ls8 n PRO 64 N -3.32 1.49 0.00 8.23 -0.04 -1.26 -2.09 135.00 138.02 1ls8 n PRO 64 Ca 0.08 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 1ls8 n PRO 64 Cb 0.54 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1ls8 n PRO 64 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ls8 n GLU 65 N 1.99 2.23 -0.11 0.54 4.07 -1.26 -5.06 120.64 123.04 1ls8 n GLU 65 Ca 0.21 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 1ls8 n GLU 65 Cb 0.71 -0.74 0.00 0.00 -0.06 0.00 0.00 31.44 31.35 1ls8 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ls8 n GLY 66 N 1.54 1.22 3.91 8.31 0.00 -0.89 -5.12 105.19 114.16 1ls8 n GLY 66 Ca 0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 1ls8 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ls8 s ASN 67 N -2.09 5.60 -0.09 1.61 2.20 -1.26 -5.00 114.94 115.91 1ls8 s ASN 67 Ca 0.00 -0.35 -0.13 0.00 -0.94 0.00 0.00 52.86 51.44 1ls8 s ASN 67 Cb 0.00 -1.12 -0.05 0.00 -2.00 0.00 0.00 41.25 38.08 1ls8 s ASN 67 CO 0.00 -0.37 0.32 -0.22 -2.94 0.00 0.00 177.10 173.90 1ls8 s LEU 68 N -4.06 4.36 -0.22 3.54 0.20 -1.26 -3.01 118.68 118.24 1ls8 s LEU 68 Ca 0.42 0.70 -0.09 0.00 0.69 0.00 0.00 54.13 55.85 1ls8 s LEU 68 Cb -0.07 -2.43 -0.05 0.00 -0.43 0.00 0.00 46.19 43.21 1ls8 s LEU 68 CO 0.28 0.23 0.12 -2.28 -0.29 0.00 0.00 176.35 174.42 1ls8 s HIS 69 N -0.37 3.30 0.14 5.38 5.65 -1.26 -5.02 115.29 123.10 1ls8 s HIS 69 Ca 0.20 0.16 -0.18 0.00 0.25 0.00 0.00 55.06 55.49 1ls8 s HIS 69 Cb -0.14 -2.19 0.00 0.00 -1.18 0.00 0.00 32.58 29.07 1ls8 s HIS 69 CO 0.08 0.11 1.73 1.25 -0.65 0.00 0.00 174.74 177.26 1ls8 h HIS 70 N 7.14 0.07 0.08 3.88 2.76 -1.97 -1.41 115.15 125.71 1ls8 h HIS 70 Ca -0.38 0.02 -0.29 0.00 -2.20 0.00 0.00 60.37 57.51 1ls8 h HIS 70 Cb 1.16 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.11 1ls8 h HIS 70 CO 0.62 0.01 -1.52 0.78 -1.30 0.00 0.00 177.93 176.52 1ls8 h GLY 71 N 0.14 0.19 1.13 5.26 0.00 -1.98 -2.81 103.07 104.99 1ls8 h GLY 71 Ca 0.12 -0.49 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 1ls8 h GLY 71 CO -0.16 0.43 -0.45 3.43 0.00 0.00 0.00 176.54 179.79 1ls8 h ASN 72 N 0.05 0.98 0.13 0.19 4.21 -1.86 -1.60 115.58 117.68 1ls8 h ASN 72 Ca -0.23 -0.50 -0.16 0.00 1.21 0.00 0.00 56.30 56.62 1ls8 h ASN 72 Cb 1.98 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 38.90 1ls8 h ASN 72 CO 0.14 1.28 -0.60 0.00 -1.29 0.00 0.00 177.43 176.96 1ls8 h ALA 73 N 0.73 0.69 -0.54 -0.83 0.00 -1.40 -3.11 119.26 114.80 1ls8 h ALA 73 Ca 0.04 -0.54 0.07 0.00 0.00 0.00 0.00 54.91 54.48 1ls8 h ALA 73 Cb 1.05 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1ls8 h ALA 73 CO 0.11 0.71 0.23 1.98 0.00 0.00 0.00 179.25 182.28 1ls8 h MET 74 N 0.35 0.43 -0.03 0.00 1.85 -1.38 -3.05 114.93 113.10 1ls8 h MET 74 Ca -0.01 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.04 1ls8 h MET 74 Cb 1.15 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 33.08 1ls8 h MET 74 CO 0.11 0.28 -0.07 0.93 -0.40 0.00 0.00 176.91 177.76 1ls8 h GLU 75 N 0.44 0.04 -0.27 0.39 4.39 -1.22 0.65 114.58 119.01 1ls8 h GLU 75 Ca 0.26 -0.01 -0.11 0.00 0.34 0.00 0.00 59.36 59.85 1ls8 h GLU 75 Cb 0.25 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1ls8 h GLU 75 CO -0.23 0.12 -0.28 0.35 -1.16 0.00 0.00 179.01 177.81 1ls8 h PHE 76 N 0.04 0.61 -0.03 4.33 3.57 -1.61 -3.05 116.94 120.80 1ls8 h PHE 76 Ca 0.01 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 1ls8 h PHE 76 Cb 0.16 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1ls8 h PHE 76 CO 0.00 0.76 -0.03 0.00 -2.23 0.00 0.00 178.31 176.81 1ls8 h ALA 77 N 1.23 0.05 0.00 2.41 0.00 -1.00 -3.32 119.26 118.62 1ls8 h ALA 77 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ls8 h ALA 77 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ls8 h ALA 77 CO 0.06 -0.18 0.00 1.57 0.00 0.00 0.00 179.25 180.70 1ls8 h LYS 78 N -0.39 0.00 0.27 0.00 5.09 -1.02 -1.77 116.57 118.75 1ls8 h LYS 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.75 1ls8 h LYS 78 Cb 0.54 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.84 1ls8 h LYS 78 CO 0.01 0.00 -0.31 -0.22 -2.09 0.00 0.00 179.45 176.84 1ls8 h LYS 79 N 0.00 -0.60 0.00 0.07 1.63 -1.63 -2.51 116.57 113.52 1ls8 h LYS 79 Ca 0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1ls8 h LYS 79 Cb 0.22 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1ls8 h LYS 79 CO 0.00 -0.40 0.00 0.45 -3.45 0.00 0.00 179.45 176.05 1ls8 h HIS 80 N -0.62 0.00 -1.24 1.91 3.86 -1.62 -3.48 115.15 113.96 1ls8 h HIS 80 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1ls8 h HIS 80 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1ls8 h HIS 80 CO -0.20 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.00 1ls8 n GLY 81 N 1.12 0.79 3.59 2.45 0.00 -0.72 -4.97 105.19 107.44 1ls8 n GLY 81 Ca 0.05 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 1ls8 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ls8 s ALA 82 N -2.30 0.31 0.55 4.61 0.00 -1.10 -4.97 121.76 118.87 1ls8 s ALA 82 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 51.96 51.39 1ls8 s ALA 82 Cb 0.00 -3.11 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 1ls8 s ALA 82 CO 0.00 -3.37 1.02 -0.51 0.00 0.00 0.00 175.76 172.89 1ls8 s ASP 83 N -3.20 6.26 0.09 0.00 1.01 -1.26 -4.86 116.67 114.71 1ls8 s ASP 83 Ca 0.67 1.67 -0.18 0.00 0.71 0.00 0.00 52.55 55.42 1ls8 s ASP 83 Cb -0.19 -2.52 -0.07 0.00 1.01 0.00 0.00 42.92 41.14 1ls8 s ASP 83 CO 0.60 -0.84 1.53 1.05 0.21 0.00 0.00 175.17 177.72 1ls8 h GLU 84 N 0.68 0.47 0.09 8.23 9.09 -1.99 -0.63 114.58 130.52 1ls8 h GLU 84 Ca -0.47 -0.15 -0.00 0.00 0.05 0.00 0.00 59.36 58.79 1ls8 h GLU 84 Cb 1.20 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 1ls8 h GLU 84 CO 0.60 0.63 -0.05 1.15 0.05 0.00 0.00 179.01 181.39 1ls8 h THR 85 N 0.25 1.07 -0.60 -1.06 2.02 -1.98 -0.45 112.91 112.17 1ls8 h THR 85 Ca 0.08 -0.62 0.06 0.00 0.77 0.00 0.00 66.41 66.69 1ls8 h THR 85 Cb 0.42 1.47 -0.05 0.00 -1.74 0.00 0.00 68.15 68.24 1ls8 h THR 85 CO 0.01 0.15 0.32 -0.03 0.37 0.00 0.00 175.52 176.34 1ls8 h MET 86 N -0.41 0.57 -0.23 6.66 -1.53 -1.92 0.23 114.93 118.30 1ls8 h MET 86 Ca -0.01 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.19 1ls8 h MET 86 Cb 0.35 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.26 1ls8 h MET 86 CO 0.02 0.38 0.07 0.00 0.14 0.00 0.00 176.91 177.52 1ls8 h ALA 87 N 1.32 0.30 -0.08 0.39 0.00 -1.10 -2.09 119.26 118.01 1ls8 h ALA 87 Ca 0.27 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1ls8 h ALA 87 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ls8 h ALA 87 CO -0.18 -0.07 -0.34 0.37 0.00 0.00 0.00 179.25 179.03 1ls8 h GLN 88 N 0.21 0.17 0.04 0.00 5.75 0.18 -0.95 115.11 120.50 1ls8 h GLN 88 Ca 0.07 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1ls8 h GLN 88 Cb 0.23 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1ls8 h GLN 88 CO -0.00 0.49 -0.02 1.96 -2.65 0.00 0.00 178.83 178.61 1ls8 h GLN 89 N 0.15 -0.05 0.00 1.69 1.08 -0.55 -1.65 115.11 115.77 1ls8 h GLN 89 Ca 0.02 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1ls8 h GLN 89 Cb 0.67 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 1ls8 h GLN 89 CO 0.05 0.23 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.08 1ls8 h LEU 90 N -0.33 0.00 0.31 1.46 4.07 -0.92 0.24 115.31 120.13 1ls8 h LEU 90 Ca -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 1ls8 h LEU 90 Cb 0.31 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.05 1ls8 h LEU 90 CO 0.01 0.01 -0.15 0.40 -1.08 0.00 0.00 178.44 177.63 1ls8 h ILE 91 N 0.00 0.00 0.00 1.22 2.04 -1.07 -3.32 117.51 116.38 1ls8 h ILE 91 Ca -0.00 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1ls8 h ILE 91 Cb 0.20 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1ls8 h ILE 91 CO 0.00 0.00 -0.12 -0.78 0.00 0.00 0.00 178.15 177.25 1ls8 h ASP 92 N -0.75 0.00 -0.90 1.72 3.58 -0.41 -1.68 116.42 117.98 1ls8 h ASP 92 Ca -0.04 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 1ls8 h ASP 92 Cb 0.32 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 1ls8 h ASP 92 CO 0.07 0.12 0.50 0.40 -2.88 0.00 0.00 179.24 177.45 1ls8 h ILE 93 N 0.00 1.26 0.13 2.25 2.04 -0.72 0.52 117.51 122.98 1ls8 h ILE 93 Ca -0.00 -0.63 0.01 0.00 1.00 0.00 0.00 64.86 65.24 1ls8 h ILE 93 Cb 0.49 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 1ls8 h ILE 93 CO 0.02 0.29 -0.17 0.58 0.00 0.00 0.00 178.15 178.87 1ls8 h VAL 94 N 1.26 0.62 -0.89 1.67 2.07 -1.39 0.21 116.25 119.80 1ls8 h VAL 94 Ca 0.32 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.95 1ls8 h VAL 94 Cb 0.01 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 1ls8 h VAL 94 CO -0.05 0.00 0.57 -0.74 0.02 0.00 0.00 177.57 177.37 1ls8 h HIS 95 N -0.34 0.93 -0.02 1.57 -0.00 -1.54 0.13 115.15 115.87 1ls8 h HIS 95 Ca 0.01 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.28 1ls8 h HIS 95 Cb 0.34 -0.30 0.01 0.00 -0.00 0.00 0.00 27.41 27.47 1ls8 h HIS 95 CO -0.16 0.41 -0.50 0.78 -0.00 0.00 0.00 177.93 178.46 1ls8 h GLY 96 N 0.84 0.42 1.23 5.26 0.00 -0.48 -2.95 103.07 107.39 1ls8 h GLY 96 Ca 0.42 -0.69 -0.17 0.00 0.00 0.00 0.00 47.33 46.89 1ls8 h GLY 96 CO -0.19 0.61 -0.50 0.00 0.00 0.00 0.00 176.54 176.46 1ls8 h GLU 98 N 0.64 0.52 -0.19 0.00 5.08 -0.87 0.19 114.58 119.95 1ls8 h GLU 98 Ca 0.03 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1ls8 h GLU 98 Cb 1.09 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1ls8 h GLU 98 CO 0.11 0.34 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.20 1ls8 h LYS 99 N 0.53 0.36 -0.25 2.33 3.11 -1.33 -3.23 116.57 118.09 1ls8 h LYS 99 Ca 0.18 -0.14 -0.03 0.00 -2.81 0.00 0.00 60.65 57.86 1ls8 h LYS 99 Cb 0.08 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 1ls8 h LYS 99 CO -0.04 0.62 0.06 0.77 -2.81 0.00 0.00 179.45 178.04 1ls8 h SER 100 N 0.07 0.39 -2.50 4.20 0.02 -1.01 -3.42 113.55 111.30 1ls8 h SER 100 Ca 0.05 -0.24 -0.54 0.00 -0.84 0.00 0.00 61.79 60.22 1ls8 h SER 100 Cb 0.49 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.93 1ls8 h SER 100 CO 0.02 0.53 1.16 -0.89 -1.14 0.00 0.00 176.83 176.50 1ls8 s THR 101 N -5.26 3.30 0.88 -2.27 2.01 0.59 -5.01 115.64 109.88 1ls8 s THR 101 Ca -0.14 0.37 -0.15 0.00 0.31 0.00 0.00 61.69 62.09 1ls8 s THR 101 Cb 0.08 -3.24 0.21 0.00 0.01 0.00 0.00 72.50 69.56 1ls8 s THR 101 CO 0.73 -0.03 0.99 -0.81 -0.69 0.00 0.00 174.62 174.81 1ls8 n PRO 102 N 7.28 -1.81 -2.17 4.92 -0.04 -1.26 -4.83 135.00 137.09 1ls8 n PRO 102 Ca 0.18 -1.55 -0.34 0.00 -0.04 0.00 0.00 63.50 61.75 1ls8 n PRO 102 Cb 0.42 -1.21 0.01 0.00 -0.04 0.00 0.00 33.50 32.68 1ls8 n PRO 102 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ls8 s ALA 103 N -3.54 2.70 0.22 0.55 0.00 -1.26 -4.90 121.76 115.53 1ls8 s ALA 103 Ca 0.59 0.62 0.03 0.00 0.00 0.00 0.00 51.96 53.20 1ls8 s ALA 103 Cb -0.03 -3.30 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1ls8 s ALA 103 CO 0.43 -0.78 0.01 1.21 0.00 0.00 0.00 175.76 176.63 1ls8 s ASN 104 N -2.22 1.56 0.00 0.00 2.47 -1.26 -5.02 114.94 110.46 1ls8 s ASN 104 Ca 0.68 -1.23 0.05 0.00 0.42 0.00 0.00 52.86 52.78 1ls8 s ASN 104 Cb -0.20 0.06 0.27 0.00 -1.45 0.00 0.00 41.25 39.93 1ls8 s ASN 104 CO 0.31 -0.56 0.99 0.47 -3.72 0.00 0.00 177.10 174.59 1ls8 n ASP 105 N -0.38 0.00 -3.69 -4.21 8.00 -1.26 -4.54 116.55 110.47 1ls8 n ASP 105 Ca -0.05 0.19 -0.11 0.00 0.71 0.00 0.00 54.79 55.53 1ls8 n ASP 105 Cb 0.64 -0.27 -0.10 0.00 -0.02 0.00 0.00 41.12 41.37 1ls8 n ASP 105 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ls8 s ASP 106 N -2.54 -0.56 0.61 -2.24 -1.08 -1.26 -5.02 116.67 104.57 1ls8 s ASP 106 Ca 0.05 0.99 0.35 0.00 -0.52 0.00 0.00 52.55 53.43 1ls8 s ASP 106 Cb 0.04 0.92 1.96 0.00 -1.46 0.00 0.00 42.92 44.37 1ls8 s ASP 106 CO 0.08 -0.19 2.25 0.11 0.52 0.00 0.00 175.17 177.94 1ls8 h LYS 107 N 6.49 0.00 0.24 4.34 6.56 -1.99 -0.80 116.57 131.41 1ls8 h LYS 107 Ca -0.33 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.25 1ls8 h LYS 107 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1ls8 h LYS 107 CO 0.25 0.02 -0.12 0.00 -2.06 0.00 0.00 179.45 177.54 1ls8 h ILE 109 N -0.80 0.99 0.15 0.00 5.03 -1.74 0.15 117.51 121.29 1ls8 h ILE 109 Ca -0.03 -0.24 -0.01 0.00 -0.12 0.00 0.00 64.86 64.46 1ls8 h ILE 109 Cb 0.51 0.23 0.00 0.00 -3.03 0.00 0.00 36.82 34.53 1ls8 h ILE 109 CO 0.05 0.13 -0.07 -0.25 -0.68 0.00 0.00 178.15 177.33 1ls8 h TRP 110 N 0.70 -0.18 -0.02 1.37 7.01 -1.07 -1.03 115.95 122.73 1ls8 h TRP 110 Ca 0.32 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.35 1ls8 h TRP 110 Cb 0.33 0.06 -0.05 0.00 -2.10 0.00 0.00 29.16 27.41 1ls8 h TRP 110 CO -0.00 -0.10 -0.29 1.15 -2.79 0.00 0.00 178.44 176.41 1ls8 h THR 111 N -0.21 0.36 -0.75 2.65 2.02 0.84 -2.38 112.91 115.44 1ls8 h THR 111 Ca -0.02 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.33 1ls8 h THR 111 Cb 0.16 0.36 -0.12 0.00 -1.74 0.00 0.00 68.15 66.81 1ls8 h THR 111 CO 0.03 0.00 0.07 -0.07 0.37 0.00 0.00 175.52 175.92 1ls8 h LEU 112 N -0.42 -0.22 -0.74 2.58 -0.00 -0.64 0.40 115.31 116.26 1ls8 h LEU 112 Ca 0.07 0.18 0.06 0.00 -0.00 0.00 0.00 57.88 58.19 1ls8 h LEU 112 Cb 0.52 0.30 -0.06 0.00 -0.00 0.00 0.00 40.66 41.41 1ls8 h LEU 112 CO -0.26 -0.14 0.43 1.23 -0.00 0.00 0.00 178.44 179.70 1ls8 h GLY 113 N 0.15 1.11 1.01 0.83 0.00 -0.68 -2.07 103.07 103.42 1ls8 h GLY 113 Ca 0.42 -0.30 -0.15 0.00 0.00 0.00 0.00 47.33 47.29 1ls8 h GLY 113 CO -0.62 0.18 -0.46 -2.08 0.00 0.00 0.00 176.54 173.56 1ls8 h VAL 114 N 0.78 1.31 0.00 4.60 2.07 -0.83 -3.21 116.25 120.97 1ls8 h VAL 114 Ca 0.33 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 1ls8 h VAL 114 Cb 0.21 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1ls8 h VAL 114 CO -0.19 0.53 -0.00 0.00 0.02 0.00 0.00 177.57 177.93 1ls8 h ALA 115 N 0.62 1.01 0.00 1.67 0.00 0.43 0.89 119.26 123.88 1ls8 h ALA 115 Ca 0.00 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.49 1ls8 h ALA 115 Cb 1.07 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 1ls8 h ALA 115 CO 0.10 0.00 -2.40 2.41 0.00 0.00 0.00 179.25 179.37 1ls8 n THR 116 N -3.10 1.37 -0.30 0.00 -1.04 -1.03 -4.07 114.28 106.11 1ls8 n THR 116 Ca -0.01 -0.36 0.10 0.00 -2.04 0.00 0.00 64.05 61.74 1ls8 n THR 116 Cb 0.23 -1.80 0.27 0.00 -1.82 0.00 0.00 70.33 67.20 1ls8 n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ls8 h PHE 118 N 0.46 0.34 0.07 0.00 3.57 -1.00 -0.11 116.94 120.26 1ls8 h PHE 118 Ca 0.51 0.04 -0.29 0.00 3.53 0.00 0.00 57.97 61.77 1ls8 h PHE 118 Cb 0.89 -0.03 0.03 0.00 2.79 0.00 0.00 35.95 39.63 1ls8 h PHE 118 CO -0.13 -0.11 -1.16 -0.22 -2.23 0.00 0.00 178.31 174.46 1ls8 h LYS 119 N 0.28 0.67 -0.23 1.11 1.63 -1.14 -3.30 116.57 115.58 1ls8 h LYS 119 Ca 0.47 -0.81 0.02 0.00 -0.85 0.00 0.00 60.65 59.48 1ls8 h LYS 119 Cb 0.84 0.25 -0.01 0.00 -0.60 0.00 0.00 32.23 32.71 1ls8 h LYS 119 CO -0.55 1.36 0.16 0.00 -3.45 0.00 0.00 179.45 176.97 1ls8 h ALA 120 N 0.34 1.92 -0.63 5.00 0.00 -0.12 0.22 119.26 125.99 1ls8 h ALA 120 Ca -0.16 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ls8 h ALA 120 Cb 1.82 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.51 1ls8 h ALA 120 CO 0.22 0.05 0.42 0.93 0.00 0.00 0.00 179.25 180.87 1ls8 h GLU 121 N 0.24 0.83 -0.36 0.00 4.39 -1.15 -2.27 114.58 116.26 1ls8 h GLU 121 Ca 0.09 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1ls8 h GLU 121 Cb 0.08 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 1ls8 h GLU 121 CO -0.02 0.55 0.17 0.82 -1.16 0.00 0.00 179.01 179.37 1ls8 h ILE 122 N 0.86 1.13 0.27 3.13 1.08 -1.06 0.81 117.51 123.72 1ls8 h ILE 122 Ca 0.23 -0.37 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1ls8 h ILE 122 Cb -0.10 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 1ls8 h ILE 122 CO -0.05 0.15 -0.13 -0.74 -0.69 0.00 0.00 178.15 176.69 1ls8 h HIS 123 N 0.51 -0.33 0.00 1.37 2.76 -1.44 0.81 115.15 118.82 1ls8 h HIS 123 Ca 0.13 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1ls8 h HIS 123 Cb 0.06 0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.13 1ls8 h HIS 123 CO 0.00 0.00 -0.13 1.57 -1.30 0.00 0.00 177.93 178.08 1ls8 h LYS 124 N -0.96 0.00 0.00 5.26 5.09 -1.34 0.55 116.57 125.17 1ls8 h LYS 124 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.70 1ls8 h LYS 124 Cb 0.48 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.81 1ls8 h LYS 124 CO 0.06 0.13 0.00 -0.07 -2.09 0.00 0.00 179.45 177.48 1ls8 h LEU 125 N 0.00 0.00 0.00 7.07 3.38 -0.80 -3.47 115.31 121.50 1ls8 h LEU 125 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ls8 h LEU 125 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ls8 h LEU 125 CO 0.02 0.00 0.00 -3.20 0.09 0.00 0.00 178.44 175.35 1ls8 n ASN 126 N -2.46 -2.35 -2.10 -0.43 2.85 0.19 -4.98 115.26 105.98 1ls8 n ASN 126 Ca 0.02 0.00 -0.25 0.00 -0.11 0.00 0.00 54.58 54.23 1ls8 n ASN 126 Cb 0.24 -0.39 0.09 0.00 1.24 0.00 0.00 39.78 40.96 1ls8 n ASN 126 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1ls8 n TRP 127 N -2.78 2.52 -2.91 1.20 8.01 0.24 -4.26 117.44 119.47 1ls8 n TRP 127 Ca 0.00 -2.31 -0.13 0.00 -1.31 0.00 0.00 57.50 53.75 1ls8 n TRP 127 Cb 0.00 -1.13 0.01 0.00 -2.01 0.00 0.00 31.31 28.18 1ls8 n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ls8 n ALA 128 N -0.52 2.50 0.03 6.99 0.00 -1.25 -4.83 120.51 123.42 1ls8 n ALA 128 Ca 0.49 -3.10 -0.19 0.00 0.00 0.00 0.00 53.44 50.64 1ls8 n ALA 128 Cb 0.86 -0.95 -0.11 0.00 0.00 0.00 0.00 19.45 19.25 1ls8 n ALA 128 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ls8 h PRO 129 N 2.96 0.54 -5.75 0.00 0.13 -1.96 -3.45 132.00 124.46 1ls8 h PRO 129 Ca -0.02 -0.61 -0.60 0.00 -0.87 0.00 0.00 66.00 63.91 1ls8 h PRO 129 Cb 1.09 0.18 -0.09 0.00 0.13 0.00 0.00 31.00 32.30 1ls8 h PRO 129 CO 0.46 1.23 -0.48 -1.12 -0.23 0.00 0.00 178.00 177.86 1ls8 s SER 130 N -7.04 4.34 0.20 1.44 0.01 -1.26 -5.04 113.70 106.35 1ls8 s SER 130 Ca -0.12 -1.24 0.24 0.00 1.31 0.00 0.00 55.95 56.14 1ls8 s SER 130 Cb 0.05 -0.15 0.91 0.00 0.21 0.00 0.00 66.02 67.04 1ls8 s SER 130 CO 0.87 -0.68 1.72 0.80 0.41 0.00 0.00 173.24 176.36 1ls8 n MET 131 N -1.30 0.18 -3.76 12.44 1.56 -1.26 -4.84 117.12 120.13 1ls8 n MET 131 Ca -0.05 0.31 -0.08 0.00 -0.27 0.00 0.00 57.70 57.61 1ls8 n MET 131 Cb 0.65 -1.79 0.00 0.00 2.15 0.00 0.00 33.22 34.24 1ls8 n MET 131 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 1ls8 n ASP 132 N -2.11 -0.67 -0.06 6.12 -0.08 -1.26 -4.79 116.55 113.70 1ls8 n ASP 132 Ca 0.04 -0.22 -0.13 0.00 -1.51 0.00 0.00 54.79 52.96 1ls8 n ASP 132 Cb 0.29 -0.27 -0.14 0.00 2.34 0.00 0.00 41.12 43.34 1ls8 n ASP 132 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1ls8 n VAL 133 N -1.64 1.56 0.00 5.18 3.14 -1.26 -4.83 118.33 120.47 1ls8 n VAL 133 Ca -0.02 -0.75 0.00 0.00 -2.96 0.00 0.00 64.34 60.61 1ls8 n VAL 133 Cb 0.10 -1.05 0.00 0.00 -1.06 0.00 0.00 33.84 31.82 1ls8 n VAL 133 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ls8 n ALA 134 N -2.80 0.00 -3.44 1.55 0.00 -1.26 -1.51 120.51 113.04 1ls8 n ALA 134 Ca -0.29 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.87 1ls8 n ALA 134 Cb 1.07 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.42 1ls8 n ALA 134 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ls8 s VAL 135 N 0.00 0.44 0.00 0.00 1.01 -1.26 -4.92 120.40 115.67 1ls8 s VAL 135 Ca 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 61.98 59.49 1ls8 s VAL 135 Cb 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 35.06 1ls8 s VAL 135 CO 0.00 -1.15 0.00 0.61 0.00 0.00 0.00 175.10 174.56 1ls8 n GLY 136 N 3.13 1.53 0.00 4.51 0.00 -0.53 -4.93 105.19 108.90 1ls8 n GLY 136 Ca 0.24 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ls8 n GLY 136 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ls8 n GLU 137 N 0.00 0.00 0.00 1.61 0.28 -1.25 -1.25 120.64 120.03 1ls8 n GLU 137 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ls8 n GLU 137 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1ls8 n GLU 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1ls8 n ILE 138 N 0.00 0.04 -2.88 3.84 2.08 -1.26 -4.73 119.36 116.45 1ls8 n ILE 138 Ca 0.00 0.01 -0.09 0.00 0.56 0.00 0.00 62.75 63.24 1ls8 n ILE 138 Cb 0.00 -0.82 0.01 0.00 -0.75 0.00 0.00 39.64 38.08 1ls8 n ILE 138 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1ls8 n LEU 139 N -2.54 -7.54 -3.99 1.39 0.00 -1.26 -4.69 117.00 98.37 1ls8 n LEU 139 Ca 0.00 0.65 -0.09 0.00 0.00 0.00 0.00 56.01 56.57 1ls8 n LEU 139 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 43.42 40.12 1ls8 n LEU 139 CO 0.00 -2.35 0.21 0.00 0.00 0.00 0.00 177.39 175.25 1ls8 s ALA 140 N -2.33 -0.27 -0.64 1.96 0.00 -1.26 -4.96 121.76 114.25 1ls8 s ALA 140 Ca 0.21 -0.87 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 1ls8 s ALA 140 Cb -0.05 1.05 0.43 0.00 0.00 0.00 0.00 23.12 24.54 1ls8 s ALA 140 CO 0.77 -0.87 1.87 -0.85 0.00 0.00 0.00 175.76 176.67 1ls8 n GLU 141 N -0.40 2.88 0.00 0.00 0.00 -1.26 -4.95 120.64 116.91 1ls8 n GLU 141 Ca -0.02 -3.53 0.00 0.00 0.00 0.00 0.00 57.16 53.61 1ls8 n GLU 141 Cb 0.62 -2.28 0.00 0.00 0.00 0.00 0.00 31.44 29.77 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68