#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 1.66 0.03 1.43 6.02 -1.26 -4.90 117.38 120.36 1ls8 n GLN 2 Ca 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 57.00 56.77 1ls8 n GLN 2 Cb 0.00 -0.67 0.00 0.00 1.02 0.00 0.00 30.24 30.59 1ls8 n GLN 2 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1ls8 n GLU 3 N -0.30 0.00 -0.34 -1.09 2.13 -1.26 -4.73 120.64 115.05 1ls8 n GLU 3 Ca 0.00 0.00 0.19 0.00 0.66 0.00 0.00 57.16 58.01 1ls8 n GLU 3 Cb 0.04 -0.46 0.42 0.00 0.27 0.00 0.00 31.44 31.71 1ls8 n GLU 3 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1ls8 h VAL 4 N 0.00 0.53 -0.05 6.31 2.07 -1.90 0.15 116.25 123.35 1ls8 h VAL 4 Ca 0.00 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1ls8 h VAL 4 Cb 0.48 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1ls8 h VAL 4 CO 0.00 0.10 -0.13 0.24 0.02 0.00 0.00 177.57 177.79 1ls8 h MET 5 N 0.53 0.18 -0.92 1.57 2.86 -1.91 0.62 114.93 117.87 1ls8 h MET 5 Ca 0.63 -0.13 0.19 0.00 -2.06 0.00 0.00 59.70 58.33 1ls8 h MET 5 Cb 1.32 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 32.89 1ls8 h MET 5 CO -0.43 0.74 0.49 -0.22 1.06 0.00 0.00 176.91 178.55 1ls8 h LYS 6 N -0.34 0.59 -0.07 1.72 3.64 -1.65 -2.88 116.57 117.57 1ls8 h LYS 6 Ca -0.00 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 1ls8 h LYS 6 Cb 0.74 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1ls8 h LYS 6 CO 0.03 0.39 -0.58 -0.97 -2.27 0.00 0.00 179.45 176.04 1ls8 h ASN 7 N 0.61 0.27 0.69 4.20 -1.24 0.20 -1.55 115.58 118.75 1ls8 h ASN 7 Ca 0.54 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 57.39 1ls8 h ASN 7 Cb 0.87 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.84 1ls8 h ASN 7 CO -0.42 0.80 0.00 0.18 -1.29 0.00 0.00 177.43 176.70 1ls8 n LEU 8 N -3.89 0.00 -1.62 0.34 4.77 0.12 -4.34 117.00 112.38 1ls8 n LEU 8 Ca -0.02 0.45 -0.03 0.00 -0.03 0.00 0.00 56.01 56.38 1ls8 n LEU 8 Cb 0.60 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 1ls8 n LEU 8 CO 0.44 -0.11 1.13 -1.20 -1.33 0.00 0.00 177.39 176.32 1ls8 n SER 9 N -1.45 5.41 0.00 -1.43 7.64 -0.59 -4.05 113.62 119.15 1ls8 n SER 9 Ca 0.06 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.47 1ls8 n SER 9 Cb 0.24 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1ls8 n SER 9 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ls8 n LEU 10 N 1.60 0.11 0.07 -3.43 7.99 -1.26 -4.53 117.00 117.55 1ls8 n LEU 10 Ca 0.10 0.57 -0.03 0.00 -0.01 0.00 0.00 56.01 56.64 1ls8 n LEU 10 Cb 0.58 -0.48 -0.07 0.00 -0.11 0.00 0.00 43.42 43.34 1ls8 n LEU 10 CO 0.05 -0.48 0.11 -0.55 -1.51 0.00 0.00 177.39 175.01 1ls8 h ASN 11 N 0.00 0.00 -0.97 -1.43 7.08 -1.97 -3.36 115.58 114.94 1ls8 h ASN 11 Ca 0.00 0.00 0.24 0.00 -3.08 0.00 0.00 56.30 53.46 1ls8 h ASN 11 Cb 0.00 0.00 -0.18 0.00 -2.08 0.00 0.00 38.32 36.06 1ls8 h ASN 11 CO 0.00 0.79 -0.06 0.15 -2.08 0.00 0.00 177.43 176.23 1ls8 h PHE 12 N 0.00 -0.20 0.00 4.14 3.04 -1.80 -1.40 116.94 120.72 1ls8 h PHE 12 Ca -0.06 0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1ls8 h PHE 12 Cb 1.66 0.24 0.00 0.00 2.56 0.00 0.00 35.95 40.41 1ls8 h PHE 12 CO 0.00 -0.41 -0.06 0.41 -2.02 0.00 0.00 178.31 176.23 1ls8 n GLY 13 N -1.53 1.46 0.21 2.40 0.00 -1.26 -4.82 105.19 101.66 1ls8 n GLY 13 Ca 0.20 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 0.69 0.00 1.61 3.64 -1.39 -3.03 116.57 118.10 1ls8 h LYS 14 Ca 0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1ls8 h LYS 14 Cb 0.82 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1ls8 h LYS 14 CO 0.00 0.86 0.00 0.00 -2.27 0.00 0.00 179.45 178.04 1ls8 n ALA 15 N -2.44 1.76 -0.19 5.00 0.00 -1.25 -3.76 120.51 119.63 1ls8 n ALA 15 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1ls8 n ALA 15 Cb 0.35 -1.15 0.10 0.00 0.00 0.00 0.00 19.45 18.76 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 0.05 -1.11 0.00 5.85 -1.88 -1.60 115.31 116.62 1ls8 h LEU 16 Ca 0.00 0.10 0.17 0.00 0.84 0.00 0.00 57.88 58.99 1ls8 h LEU 16 Cb 0.03 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 41.09 1ls8 h LEU 16 CO 0.00 0.04 0.61 -0.78 -0.34 0.00 0.00 178.44 177.97 1ls8 h ASP 17 N 0.29 0.76 0.06 1.25 3.58 -1.85 0.49 116.42 121.00 1ls8 h ASP 17 Ca 0.30 0.07 -0.00 0.00 0.42 0.00 0.00 57.03 57.82 1ls8 h ASP 17 Cb 0.43 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.41 1ls8 h ASP 17 CO -0.37 0.33 -0.03 -0.33 -2.88 0.00 0.00 179.24 175.96 1ls8 h GLU 18 N 0.77 -0.08 0.00 0.28 5.08 -1.58 -0.89 114.58 118.16 1ls8 h GLU 18 Ca 0.53 0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.81 1ls8 h GLU 18 Cb 0.80 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1ls8 h GLU 18 CO -0.30 0.26 -0.38 0.00 -1.00 0.00 0.00 179.01 177.59 1ls8 h LYS 20 N 0.00 0.00 0.26 0.00 1.57 0.23 -1.50 116.57 117.13 1ls8 h LYS 20 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1ls8 h LYS 20 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1ls8 h LYS 20 CO 0.05 0.33 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.91 1ls8 h LYS 21 N 0.00 -0.33 -0.49 3.15 3.64 -0.69 -0.71 116.57 121.14 1ls8 h LYS 21 Ca -0.00 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1ls8 h LYS 21 Cb 0.61 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.45 1ls8 h LYS 21 CO 0.04 -0.02 0.19 0.93 -2.27 0.00 0.00 179.45 178.33 1ls8 h GLU 22 N -0.68 0.37 -0.01 1.90 5.08 -0.98 -0.41 114.58 119.86 1ls8 h GLU 22 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ls8 h GLU 22 Cb 0.47 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1ls8 h GLU 22 CO 0.06 0.24 -0.34 -1.33 -1.00 0.00 0.00 179.01 176.64 1ls8 n MET 23 N -4.98 0.78 -3.46 2.33 2.81 -0.69 -4.98 117.12 108.93 1ls8 n MET 23 Ca 0.05 -0.50 -0.22 0.00 -1.81 0.00 0.00 57.70 55.21 1ls8 n MET 23 Cb 0.18 -1.49 0.05 0.00 -0.71 0.00 0.00 33.22 31.25 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 -0.67 -7.56 -2.80 2.03 -1.04 -0.16 -5.02 114.28 99.05 1ls8 n THR 24 Ca 0.11 -1.08 -0.26 0.00 -2.04 0.00 0.00 64.05 60.78 1ls8 n THR 24 Cb 0.36 -5.45 0.01 0.00 -1.82 0.00 0.00 70.33 63.43 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 -5.82 3.63 0.00 -4.42 1.43 -0.33 -5.02 118.68 108.15 1ls8 s LEU 25 Ca 0.43 0.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 1ls8 s LEU 25 Cb -0.11 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.57 1ls8 s LEU 25 CO 0.80 -0.64 0.11 0.35 0.23 0.00 0.00 176.35 177.20 1ls8 n THR 26 N -2.19 0.00 1.03 5.49 -2.24 -1.26 -4.79 114.28 110.31 1ls8 n THR 26 Ca 0.00 -0.19 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1ls8 n THR 26 Cb 0.56 -1.26 0.29 0.00 -2.10 0.00 0.00 70.33 67.83 1ls8 n THR 26 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ls8 n ASP 27 N -2.98 2.43 -0.07 3.42 8.00 -1.26 -4.11 116.55 121.98 1ls8 n ASP 27 Ca 0.02 -1.81 0.00 0.00 0.71 0.00 0.00 54.79 53.71 1ls8 n ASP 27 Cb 0.07 -0.07 0.29 0.00 -0.02 0.00 0.00 41.12 41.38 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ls8 h ALA 28 N 4.44 1.42 -0.07 2.24 0.00 -2.00 -1.13 119.26 124.16 1ls8 h ALA 28 Ca 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1ls8 h ALA 28 Cb 0.76 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ls8 h ALA 28 CO 0.00 0.44 -0.32 -0.84 0.00 0.00 0.00 179.25 178.53 1ls8 h ILE 29 N 0.69 1.25 -0.30 0.00 3.07 -1.98 -1.06 117.51 119.18 1ls8 h ILE 29 Ca 0.17 -1.20 -0.01 0.00 1.55 0.00 0.00 64.86 65.36 1ls8 h ILE 29 Cb 0.15 1.56 -0.01 0.00 -0.27 0.00 0.00 36.82 38.24 1ls8 h ILE 29 CO -0.02 0.35 0.15 -1.13 -1.05 0.00 0.00 178.15 176.46 1ls8 h ASN 30 N 0.12 0.39 -0.18 2.16 -1.24 -1.44 -2.00 115.58 113.39 1ls8 h ASN 30 Ca 0.02 -0.12 -0.17 0.00 0.71 0.00 0.00 56.30 56.74 1ls8 h ASN 30 Cb 0.62 -0.10 0.01 0.00 0.73 0.00 0.00 38.32 39.58 1ls8 h ASN 30 CO 0.05 0.40 -0.56 1.05 -1.29 0.00 0.00 177.43 177.07 1ls8 h GLU 31 N 0.36 0.70 -0.41 6.67 4.11 -1.45 -3.28 114.58 121.27 1ls8 h GLU 31 Ca 0.10 -0.51 0.04 0.00 0.07 0.00 0.00 59.36 59.06 1ls8 h GLU 31 Cb 0.10 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1ls8 h GLU 31 CO -0.01 1.13 0.27 -0.44 0.07 0.00 0.00 179.01 180.03 1ls8 h ASP 32 N 0.40 0.35 0.05 3.06 3.32 -1.00 -1.92 116.42 120.68 1ls8 h ASP 32 Ca -0.02 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ls8 h ASP 32 Cb 1.19 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1ls8 h ASP 32 CO 0.12 0.24 0.00 0.49 -1.72 0.00 0.00 179.24 178.37 1ls8 n PHE 33 N -4.48 0.06 -0.73 4.55 3.01 -0.77 -1.32 117.46 117.78 1ls8 n PHE 33 Ca 0.04 0.03 0.01 0.00 1.01 0.00 0.00 57.45 58.54 1ls8 n PHE 33 Cb 0.18 -0.55 0.01 0.00 -0.01 0.00 0.00 39.48 39.11 1ls8 n PHE 33 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1ls8 n TYR 34 N -1.56 0.00 -3.52 1.38 9.36 -0.75 -5.01 117.16 117.06 1ls8 n TYR 34 Ca 0.00 -0.26 -0.29 0.00 3.32 0.00 0.00 57.90 60.67 1ls8 n TYR 34 Cb 0.02 -0.03 -0.14 0.00 -0.63 0.00 0.00 39.34 38.55 1ls8 n TYR 34 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ls8 s ASN 35 N -0.69 3.41 0.00 2.98 3.84 -0.44 -5.06 114.94 118.99 1ls8 s ASN 35 Ca 0.02 -1.50 0.00 0.00 0.21 0.00 0.00 52.86 51.59 1ls8 s ASN 35 Cb 0.02 -0.37 0.00 0.00 -0.55 0.00 0.00 41.25 40.35 1ls8 s ASN 35 CO 0.00 -0.41 0.00 0.49 -2.79 0.00 0.00 177.10 174.39 1ls8 n PHE 36 N 4.96 0.00 -3.56 0.43 3.01 -1.26 -4.53 117.46 116.52 1ls8 n PHE 36 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1ls8 n PHE 36 Cb 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.88 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 -1.19 -2.08 1.38 7.02 -1.26 -5.04 117.44 116.27 1ls8 n TRP 37 Ca 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.47 1ls8 n TRP 37 Cb 0.00 0.18 0.00 0.00 -2.42 0.00 0.00 31.31 29.07 1ls8 n TRP 37 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1ls8 n LYS 38 N -0.68 -1.47 0.11 -0.99 4.01 -1.26 -4.82 118.16 113.06 1ls8 n LYS 38 Ca 0.00 1.47 0.10 0.00 -0.51 0.00 0.00 58.31 59.37 1ls8 n LYS 38 Cb 0.00 -3.17 0.44 0.00 -0.51 0.00 0.00 35.03 31.79 1ls8 n LYS 38 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1ls8 n GLU 39 N 0.09 0.13 0.00 1.97 1.02 -1.26 -1.73 120.64 120.86 1ls8 n GLU 39 Ca 0.02 0.48 0.05 0.00 -0.02 0.00 0.00 57.16 57.69 1ls8 n GLU 39 Cb 0.07 -1.81 -0.03 0.00 -0.02 0.00 0.00 31.44 29.65 1ls8 n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ls8 n GLY 40 N -0.62 -0.02 2.90 0.62 0.00 -1.26 -4.83 105.19 101.98 1ls8 n GLY 40 Ca 0.01 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.66 2.99 -0.37 1.61 6.14 -0.71 -5.06 117.35 120.30 1ls8 s TYR 41 Ca 0.06 -3.06 -0.28 0.00 0.64 0.00 0.00 57.07 54.43 1ls8 s TYR 41 Cb 0.08 -2.62 0.02 0.00 0.42 0.00 0.00 41.96 39.86 1ls8 s TYR 41 CO 0.33 -0.72 1.03 -2.00 0.64 0.00 0.00 175.55 174.83 1ls8 s GLU 42 N -0.33 3.92 -0.04 4.97 2.12 -1.25 -4.60 118.70 123.48 1ls8 s GLU 42 Ca 0.18 0.79 -0.39 0.00 0.36 0.00 0.00 54.97 55.92 1ls8 s GLU 42 Cb -0.23 -3.79 -0.17 0.00 0.26 0.00 0.00 34.13 30.20 1ls8 s GLU 42 CO -0.02 -1.01 1.42 -0.89 -0.54 0.00 0.00 175.26 174.22 1ls8 n ILE 43 N 6.09 0.08 0.17 -3.70 -0.00 -1.26 -4.91 119.36 115.83 1ls8 n ILE 43 Ca 0.10 -0.01 0.04 0.00 -0.00 0.00 0.00 62.75 62.88 1ls8 n ILE 43 Cb 0.48 -0.79 0.29 0.00 -0.00 0.00 0.00 39.64 39.61 1ls8 n ILE 43 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.55 177.05 1ls8 h LYS 44 N 5.02 0.00 -5.69 0.38 3.11 -2.04 -3.41 116.57 113.94 1ls8 h LYS 44 Ca -0.48 0.00 -0.32 0.00 -2.81 0.00 0.00 60.65 57.04 1ls8 h LYS 44 Cb 1.35 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 32.53 1ls8 h LYS 44 CO 0.82 0.43 0.85 -0.80 -2.81 0.00 0.00 179.45 177.94 1ls8 s ASN 45 N -6.52 5.21 0.00 4.20 -0.87 -1.26 -4.78 114.94 110.92 1ls8 s ASN 45 Ca -0.00 -0.92 0.30 0.00 -1.57 0.00 0.00 52.86 50.67 1ls8 s ASN 45 Cb 0.11 -2.57 1.71 0.00 -0.02 0.00 0.00 41.25 40.48 1ls8 s ASN 45 CO 0.70 -2.73 2.12 0.54 -2.57 0.00 0.00 177.10 175.16 1ls8 n ARG 46 N 8.74 0.76 0.08 -0.60 3.00 -1.26 -3.11 116.66 124.27 1ls8 n ARG 46 Ca 0.41 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 58.37 1ls8 n ARG 46 Cb 0.47 -1.50 0.59 0.00 0.00 0.00 0.00 32.46 32.02 1ls8 n ARG 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1ls8 h GLU 47 N 0.00 0.16 0.28 5.56 3.07 -1.94 -3.18 114.58 118.54 1ls8 h GLU 47 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1ls8 h GLU 47 Cb 0.11 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.95 1ls8 h GLU 47 CO 0.00 0.11 -0.45 1.15 -1.40 0.00 0.00 179.01 178.42 1ls8 h THR 48 N 0.17 0.11 0.00 1.13 2.02 -1.94 -0.78 112.91 113.61 1ls8 h THR 48 Ca 0.15 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.32 1ls8 h THR 48 Cb 0.37 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1ls8 h THR 48 CO -0.02 0.00 -0.02 1.23 0.37 0.00 0.00 175.52 177.07 1ls8 h GLY 49 N -0.79 0.00 1.02 2.16 0.00 -1.83 -0.58 103.07 103.05 1ls8 h GLY 49 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 1ls8 h GLY 49 CO -0.16 0.00 0.07 0.00 0.00 0.00 0.00 176.54 176.45 1ls8 h ALA 51 N 0.99 0.31 0.04 0.00 0.00 -0.22 -2.77 119.26 117.60 1ls8 h ALA 51 Ca 0.17 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1ls8 h ALA 51 Cb 0.44 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1ls8 h ALA 51 CO 0.02 -0.16 -0.22 0.82 0.00 0.00 0.00 179.25 179.71 1ls8 h ILE 52 N 0.27 0.50 -0.61 0.00 2.04 -0.99 -1.73 117.51 117.00 1ls8 h ILE 52 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.99 1ls8 h ILE 52 Cb 0.08 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 1ls8 h ILE 52 CO -0.01 0.00 0.34 -0.03 0.00 0.00 0.00 178.15 178.44 1ls8 h MET 53 N -0.36 0.62 -0.09 2.37 4.05 -1.22 0.02 114.93 120.32 1ls8 h MET 53 Ca 0.05 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.46 1ls8 h MET 53 Cb 0.42 -0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 31.02 1ls8 h MET 53 CO -0.17 0.41 -0.52 0.00 0.23 0.00 0.00 176.91 176.86 1ls8 h LEU 55 N -0.60 -0.38 0.00 0.00 3.38 -0.15 -0.19 115.31 117.37 1ls8 h LEU 55 Ca 0.04 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ls8 h LEU 55 Cb 0.69 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1ls8 h LEU 55 CO -0.40 -0.14 0.00 -1.20 0.09 0.00 0.00 178.44 176.79 1ls8 n SER 56 N -5.31 0.00 -0.01 -0.43 7.64 -0.27 -1.47 113.62 113.77 1ls8 n SER 56 Ca 0.02 -0.90 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1ls8 n SER 56 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1ls8 n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1ls8 n THR 57 N -0.93 0.13 -0.06 0.44 -1.04 -0.21 -0.27 114.28 112.34 1ls8 n THR 57 Ca 0.16 -0.56 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1ls8 n THR 57 Cb 0.07 0.94 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 1ls8 n THR 57 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1ls8 n LYS 58 N -0.06 0.16 0.00 -2.82 3.00 -0.43 -4.91 118.16 113.10 1ls8 n LYS 58 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 58.31 57.92 1ls8 n LYS 58 Cb 0.04 -0.89 0.00 0.00 0.00 0.00 0.00 35.03 34.18 1ls8 n LYS 58 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1ls8 n LEU 59 N -0.14 0.00 0.00 3.14 4.77 -0.96 -5.04 117.00 118.78 1ls8 n LEU 59 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ls8 n LEU 59 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1ls8 n LEU 59 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.39 175.60 1ls8 n ASN 60 N -0.65 0.00 0.00 -1.43 0.23 -1.26 -5.10 115.26 107.06 1ls8 n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1ls8 n ASN 60 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 1ls8 n ASN 60 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1ls8 n MET 61 N 0.00 0.00 -3.53 -3.83 2.81 -1.02 -4.68 117.12 106.88 1ls8 n MET 61 Ca 0.00 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.52 1ls8 n MET 61 Cb 0.00 -0.01 -0.07 0.00 -0.71 0.00 0.00 33.22 32.43 1ls8 n MET 61 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1ls8 s LEU 62 N -5.06 4.29 1.01 4.03 1.43 0.63 -4.25 118.68 120.77 1ls8 s LEU 62 Ca 0.00 0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 53.59 1ls8 s LEU 62 Cb 0.00 -2.42 0.20 0.00 0.03 0.00 0.00 46.19 43.99 1ls8 s LEU 62 CO 0.00 0.14 1.08 -1.81 0.23 0.00 0.00 176.35 175.99 1ls8 s ASP 63 N 0.14 2.33 -0.04 2.29 1.01 -0.64 -4.71 116.67 117.05 1ls8 s ASP 63 Ca 0.19 1.60 -0.02 0.00 0.71 0.00 0.00 52.55 55.02 1ls8 s ASP 63 Cb -0.14 -2.26 -0.06 0.00 1.01 0.00 0.00 42.92 41.48 1ls8 s ASP 63 CO 0.06 -3.38 2.49 -0.81 0.21 0.00 0.00 175.17 173.74 1ls8 n PRO 64 N -4.37 1.39 0.00 8.23 -0.04 -1.26 -0.93 135.00 138.01 1ls8 n PRO 64 Ca 0.06 -0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.05 1ls8 n PRO 64 Cb 0.54 -1.36 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1ls8 n PRO 64 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ls8 n GLU 65 N 1.68 0.00 -0.10 0.54 -0.58 -1.26 -5.05 120.64 115.87 1ls8 n GLU 65 Ca 0.16 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1ls8 n GLU 65 Cb 0.63 -0.40 0.00 0.00 -0.57 0.00 0.00 31.44 31.10 1ls8 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ls8 n GLY 66 N 0.00 2.19 3.76 0.62 0.00 -0.11 -5.01 105.19 106.64 1ls8 n GLY 66 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ls8 n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ls8 s ASN 67 N -3.51 6.82 0.56 1.61 0.01 -1.26 -4.77 114.94 114.40 1ls8 s ASN 67 Ca 0.00 2.61 -0.18 0.00 -0.71 0.00 0.00 52.86 54.58 1ls8 s ASN 67 Cb 0.00 -2.64 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 1ls8 s ASN 67 CO 0.00 -0.51 1.10 -0.22 -1.51 0.00 0.00 177.10 175.95 1ls8 s LEU 68 N -1.42 3.66 -0.07 0.60 1.98 -1.26 -1.62 118.68 120.54 1ls8 s LEU 68 Ca 0.50 2.03 0.01 0.00 -2.89 0.00 0.00 54.13 53.79 1ls8 s LEU 68 Cb -0.39 -4.56 0.02 0.00 0.66 0.00 0.00 46.19 41.92 1ls8 s LEU 68 CO 0.49 -1.21 -0.08 -2.28 -1.89 0.00 0.00 176.35 171.38 1ls8 s HIS 69 N -2.04 1.26 0.01 5.38 5.65 -1.26 -4.92 115.29 119.37 1ls8 s HIS 69 Ca 0.69 -0.50 -0.02 0.00 0.25 0.00 0.00 55.06 55.48 1ls8 s HIS 69 Cb -0.20 -1.01 -0.01 0.00 -1.18 0.00 0.00 32.58 30.18 1ls8 s HIS 69 CO 0.30 -0.33 1.03 0.45 -0.65 0.00 0.00 174.74 175.54 1ls8 h HIS 70 N 7.44 -0.08 0.00 3.88 -0.00 -1.96 0.57 115.15 125.00 1ls8 h HIS 70 Ca -0.31 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 59.97 1ls8 h HIS 70 Cb 1.16 0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 28.59 1ls8 h HIS 70 CO 0.49 -0.02 -0.42 0.78 -0.00 0.00 0.00 177.93 178.75 1ls8 h GLY 71 N -0.03 0.00 0.52 2.45 0.00 -1.98 0.07 103.07 104.11 1ls8 h GLY 71 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ls8 h GLY 71 CO -0.02 0.00 -0.04 -0.57 0.00 0.00 0.00 176.54 175.91 1ls8 h ASN 72 N 0.00 -0.08 -0.10 0.19 -1.24 -1.86 0.20 115.58 112.68 1ls8 h ASN 72 Ca -0.00 -0.41 -0.02 0.00 0.71 0.00 0.00 56.30 56.58 1ls8 h ASN 72 Cb 0.83 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.90 1ls8 h ASN 72 CO 0.05 0.39 0.02 0.00 -1.29 0.00 0.00 177.43 176.60 1ls8 h ALA 73 N 0.28 1.73 -0.20 1.57 0.00 -0.79 -1.94 119.26 119.92 1ls8 h ALA 73 Ca -0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ls8 h ALA 73 Cb 0.49 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ls8 h ALA 73 CO 0.02 0.21 0.03 1.98 0.00 0.00 0.00 179.25 181.48 1ls8 h MET 74 N 0.23 0.33 0.00 0.00 1.85 -0.89 -3.16 114.93 113.30 1ls8 h MET 74 Ca 0.06 -0.09 -0.04 0.00 -0.61 0.00 0.00 59.70 59.02 1ls8 h MET 74 Cb 0.13 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 1ls8 h MET 74 CO 0.00 0.49 -0.18 0.93 -0.40 0.00 0.00 176.91 177.75 1ls8 h GLU 75 N 0.12 0.00 0.37 0.39 5.08 -0.16 0.20 114.58 120.58 1ls8 h GLU 75 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1ls8 h GLU 75 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ls8 h GLU 75 CO 0.00 0.18 -0.18 0.35 -1.00 0.00 0.00 179.01 178.37 1ls8 h PHE 76 N 0.00 -0.46 -0.50 4.33 3.57 -1.54 -3.00 116.94 119.34 1ls8 h PHE 76 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1ls8 h PHE 76 Cb 0.32 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.19 1ls8 h PHE 76 CO 0.00 -0.24 0.24 0.00 -2.23 0.00 0.00 178.31 176.09 1ls8 h ALA 77 N 0.01 0.64 0.00 2.41 0.00 -1.19 -2.75 119.26 118.39 1ls8 h ALA 77 Ca -0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ls8 h ALA 77 Cb 0.44 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ls8 h ALA 77 CO 0.08 0.20 -0.05 1.57 0.00 0.00 0.00 179.25 181.06 1ls8 h LYS 78 N 0.66 0.00 -0.27 0.00 5.09 -0.71 -2.69 116.57 118.65 1ls8 h LYS 78 Ca 0.17 0.00 0.08 0.00 0.09 0.00 0.00 60.65 60.99 1ls8 h LYS 78 Cb 0.11 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.43 1ls8 h LYS 78 CO -0.02 0.05 0.24 -0.22 -2.09 0.00 0.00 179.45 177.41 1ls8 h LYS 79 N 0.00 0.00 -0.03 0.07 3.64 -1.33 -0.47 116.57 118.46 1ls8 h LYS 79 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ls8 h LYS 79 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1ls8 h LYS 79 CO 0.01 0.00 0.00 0.72 -2.27 0.00 0.00 179.45 177.91 1ls8 n HIS 80 N -4.06 0.03 -1.22 1.91 8.25 -1.05 -5.05 115.22 114.04 1ls8 n HIS 80 Ca 0.04 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 1ls8 n HIS 80 Cb 0.39 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1ls8 n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ls8 n GLY 81 N -0.23 0.85 3.75 -1.41 0.00 -0.18 -4.90 105.19 103.06 1ls8 n GLY 81 Ca 0.01 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.74 1.61 0.58 4.61 0.00 -1.19 -4.96 121.76 119.68 1ls8 s ALA 82 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 51.96 51.50 1ls8 s ALA 82 Cb 0.00 -3.11 -0.05 0.00 0.00 0.00 0.00 23.12 19.97 1ls8 s ALA 82 CO 0.00 -2.32 1.02 -0.51 0.00 0.00 0.00 175.76 173.95 1ls8 s ASP 83 N -3.72 6.16 0.43 0.00 1.11 -1.26 -4.83 116.67 114.57 1ls8 s ASP 83 Ca 0.63 1.60 0.24 0.00 0.18 0.00 0.00 52.55 55.20 1ls8 s ASP 83 Cb -0.16 -2.50 0.84 0.00 1.07 0.00 0.00 42.92 42.16 1ls8 s ASP 83 CO 0.55 -0.91 1.79 1.05 1.18 0.00 0.00 175.17 178.84 1ls8 h GLU 84 N 0.30 0.00 0.16 8.23 4.11 -1.99 -0.17 114.58 125.21 1ls8 h GLU 84 Ca -0.46 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.96 1ls8 h GLU 84 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1ls8 h GLU 84 CO 0.60 0.22 -0.08 1.15 0.07 0.00 0.00 179.01 180.98 1ls8 h THR 85 N 0.00 0.00 -0.59 -1.06 2.02 -1.99 -3.34 112.91 107.94 1ls8 h THR 85 Ca -0.00 -0.62 -0.05 0.00 0.77 0.00 0.00 66.41 66.50 1ls8 h THR 85 Cb 0.80 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1ls8 h THR 85 CO 0.03 0.00 0.16 -0.03 0.37 0.00 0.00 175.52 176.05 1ls8 h MET 86 N -0.83 0.93 -0.44 6.66 1.85 -1.83 0.17 114.93 121.44 1ls8 h MET 86 Ca -0.02 -0.22 -0.05 0.00 -0.61 0.00 0.00 59.70 58.81 1ls8 h MET 86 Cb 0.16 -0.13 -0.02 0.00 0.43 0.00 0.00 31.60 32.04 1ls8 h MET 86 CO 0.04 0.85 0.08 0.00 -0.40 0.00 0.00 176.91 177.47 1ls8 h ALA 87 N 1.04 1.32 0.24 0.39 0.00 -1.28 -0.86 119.26 120.11 1ls8 h ALA 87 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ls8 h ALA 87 Cb 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ls8 h ALA 87 CO -0.00 0.48 -0.11 0.37 0.00 0.00 0.00 179.25 179.98 1ls8 h GLN 88 N 0.65 -0.31 -0.69 0.00 5.75 -1.39 -3.27 115.11 115.84 1ls8 h GLN 88 Ca 0.14 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.75 1ls8 h GLN 88 Cb 0.29 0.07 -0.07 0.00 1.07 0.00 0.00 27.48 28.84 1ls8 h GLN 88 CO 0.00 0.06 0.36 1.96 -2.65 0.00 0.00 178.83 178.56 1ls8 h GLN 89 N -0.79 0.61 0.00 1.69 4.20 -0.41 0.37 115.11 120.78 1ls8 h GLN 89 Ca -0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1ls8 h GLN 89 Cb 0.51 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1ls8 h GLN 89 CO 0.05 0.40 0.00 1.28 -0.67 0.00 0.00 178.83 179.89 1ls8 n LEU 90 N -4.84 0.63 -0.08 1.46 4.32 -0.35 -0.16 117.00 117.98 1ls8 n LEU 90 Ca 0.10 0.69 -0.12 0.00 -0.02 0.00 0.00 56.01 56.66 1ls8 n LEU 90 Cb 0.24 -0.64 -0.07 0.00 -1.62 0.00 0.00 43.42 41.33 1ls8 n LEU 90 CO 0.26 -0.66 -0.17 0.40 -1.22 0.00 0.00 177.39 176.01 1ls8 h ILE 91 N 0.00 0.72 -0.88 -0.08 2.04 -1.20 -3.39 117.51 114.72 1ls8 h ILE 91 Ca 0.00 -1.71 0.04 0.00 1.00 0.00 0.00 64.86 64.19 1ls8 h ILE 91 Cb 0.27 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1ls8 h ILE 91 CO 0.00 0.25 0.57 -0.78 0.00 0.00 0.00 178.15 178.18 1ls8 h ASP 92 N -1.00 0.94 -0.99 1.72 1.82 0.03 -0.84 116.42 118.10 1ls8 h ASP 92 Ca -0.12 -0.01 0.12 0.00 -0.39 0.00 0.00 57.03 56.64 1ls8 h ASP 92 Cb 0.79 -0.21 -0.08 0.00 0.68 0.00 0.00 39.33 40.51 1ls8 h ASP 92 CO -0.07 0.64 0.63 0.40 -1.61 0.00 0.00 179.24 179.23 1ls8 h ILE 93 N 1.10 0.93 -0.43 2.25 2.04 -0.80 -0.77 117.51 121.82 1ls8 h ILE 93 Ca 0.35 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 1ls8 h ILE 93 Cb 0.02 -0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 35.93 1ls8 h ILE 93 CO -0.12 0.18 0.23 0.58 0.00 0.00 0.00 178.15 179.02 1ls8 h VAL 94 N 0.99 1.16 0.28 1.67 2.07 -1.34 0.14 116.25 121.22 1ls8 h VAL 94 Ca 0.49 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1ls8 h VAL 94 Cb 0.47 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1ls8 h VAL 94 CO -0.25 0.17 -0.13 -0.74 0.02 0.00 0.00 177.57 176.64 1ls8 h HIS 95 N 0.56 -0.34 -0.74 1.57 -0.00 -1.40 0.45 115.15 115.25 1ls8 h HIS 95 Ca 0.15 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.53 1ls8 h HIS 95 Cb 0.06 0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.55 1ls8 h HIS 95 CO -0.02 -0.12 0.49 0.78 -0.00 0.00 0.00 177.93 179.06 1ls8 h GLY 96 N -0.51 1.04 1.09 5.26 0.00 -0.84 -0.15 103.07 108.95 1ls8 h GLY 96 Ca -0.04 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 46.74 1ls8 h GLY 96 CO 0.06 0.35 -0.52 0.00 0.00 0.00 0.00 176.54 176.43 1ls8 h GLU 98 N 0.55 0.71 0.02 0.00 5.08 0.06 0.14 114.58 121.14 1ls8 h GLU 98 Ca 0.01 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ls8 h GLU 98 Cb 1.14 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ls8 h GLU 98 CO 0.12 0.47 -0.01 0.87 -1.00 0.00 0.00 179.01 179.46 1ls8 h LYS 99 N 0.73 -0.02 -0.27 2.33 1.57 -0.94 -2.92 116.57 117.05 1ls8 h LYS 99 Ca 0.38 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.13 1ls8 h LYS 99 Cb 0.47 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1ls8 h LYS 99 CO -0.15 0.10 0.07 1.03 -0.57 0.00 0.00 179.45 179.94 1ls8 h SER 100 N -0.15 0.41 -2.71 0.86 0.87 -1.28 -3.44 113.55 108.12 1ls8 h SER 100 Ca -0.00 -0.23 -0.54 0.00 -1.23 0.00 0.00 61.79 59.79 1ls8 h SER 100 Cb 0.14 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1ls8 h SER 100 CO 0.00 0.53 0.99 -0.89 -0.53 0.00 0.00 176.83 176.94 1ls8 s THR 101 N -5.31 3.39 0.81 2.23 2.01 0.45 -5.02 115.64 114.19 1ls8 s THR 101 Ca -0.13 0.70 -0.14 0.00 0.31 0.00 0.00 61.69 62.43 1ls8 s THR 101 Cb 0.08 -3.45 0.19 0.00 0.01 0.00 0.00 72.50 69.33 1ls8 s THR 101 CO 0.74 -0.02 1.06 -0.81 -0.69 0.00 0.00 174.62 174.89 1ls8 n PRO 102 N 6.11 -1.19 -1.32 4.92 -0.04 -1.26 -4.84 135.00 137.37 1ls8 n PRO 102 Ca 0.16 -1.63 -0.30 0.00 -0.04 0.00 0.00 63.50 61.68 1ls8 n PRO 102 Cb 0.42 -1.12 0.11 0.00 -0.04 0.00 0.00 33.50 32.87 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 -3.89 1.91 -0.02 0.55 0.00 -1.26 -4.93 121.76 114.11 1ls8 s ALA 103 Ca 0.60 -0.04 -0.15 0.00 0.00 0.00 0.00 51.96 52.38 1ls8 s ALA 103 Cb -0.02 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.94 1ls8 s ALA 103 CO 0.43 -2.03 0.32 1.21 0.00 0.00 0.00 175.76 175.68 1ls8 s ASN 104 N -3.56 -0.21 0.00 0.00 3.84 -1.26 -4.98 114.94 108.76 1ls8 s ASN 104 Ca 0.62 0.14 0.29 0.00 0.21 0.00 0.00 52.86 54.12 1ls8 s ASN 104 Cb -0.17 0.34 1.28 0.00 -0.55 0.00 0.00 41.25 42.16 1ls8 s ASN 104 CO 0.56 -0.42 1.94 0.47 -2.79 0.00 0.00 177.10 176.85 1ls8 n ASP 105 N 1.39 0.00 -4.10 -4.21 8.00 -1.26 -4.41 116.55 111.96 1ls8 n ASP 105 Ca -0.21 0.34 -0.33 0.00 0.71 0.00 0.00 54.79 55.30 1ls8 n ASP 105 Cb 0.56 -0.45 -0.14 0.00 -0.02 0.00 0.00 41.12 41.07 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 -2.89 4.76 0.62 -2.24 -1.08 -1.26 -4.99 116.67 109.59 1ls8 s ASP 106 Ca 0.17 -1.59 0.32 0.00 -0.52 0.00 0.00 52.55 50.93 1ls8 s ASP 106 Cb 0.19 -1.65 1.80 0.00 -1.46 0.00 0.00 42.92 41.79 1ls8 s ASP 106 CO 0.50 -0.30 2.11 0.50 0.52 0.00 0.00 175.17 178.50 1ls8 h LYS 107 N 7.85 0.00 0.67 4.34 3.11 -1.99 -0.80 116.57 129.74 1ls8 h LYS 107 Ca -0.16 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 57.65 1ls8 h LYS 107 Cb 1.04 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.28 1ls8 h LYS 107 CO 0.53 0.00 -0.32 0.00 -2.81 0.00 0.00 179.45 176.85 1ls8 h ILE 109 N -1.03 1.10 -0.10 0.00 5.03 -1.51 -1.24 117.51 119.76 1ls8 h ILE 109 Ca -0.09 -0.33 0.01 0.00 -0.12 0.00 0.00 64.86 64.32 1ls8 h ILE 109 Cb 0.72 0.05 -0.01 0.00 -3.03 0.00 0.00 36.82 34.55 1ls8 h ILE 109 CO 0.15 0.18 0.05 -0.25 -0.68 0.00 0.00 178.15 177.59 1ls8 h TRP 110 N 0.96 0.09 0.11 1.37 7.01 -1.05 -2.56 115.95 121.88 1ls8 h TRP 110 Ca 0.32 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.33 1ls8 h TRP 110 Cb 0.04 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1ls8 h TRP 110 CO -0.03 0.05 -0.09 1.15 -2.79 0.00 0.00 178.44 176.73 1ls8 h THR 111 N 0.11 0.81 -1.04 2.65 2.02 -0.67 -2.62 112.91 114.16 1ls8 h THR 111 Ca 0.04 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.48 1ls8 h THR 111 Cb 0.01 0.81 -0.10 0.00 -1.74 0.00 0.00 68.15 67.12 1ls8 h THR 111 CO -0.03 0.00 0.66 -0.07 0.37 0.00 0.00 175.52 176.45 1ls8 h LEU 112 N -0.21 0.50 0.49 2.58 4.07 -1.02 0.19 115.31 121.91 1ls8 h LEU 112 Ca -0.00 0.10 -0.02 0.00 0.08 0.00 0.00 57.88 58.04 1ls8 h LEU 112 Cb 0.19 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 41.94 1ls8 h LEU 112 CO -0.01 0.09 -0.39 1.23 -1.08 0.00 0.00 178.44 178.28 1ls8 h GLY 113 N 0.43 -1.13 1.09 0.83 0.00 -1.06 -0.88 103.07 102.35 1ls8 h GLY 113 Ca 0.61 0.50 0.05 0.00 0.00 0.00 0.00 47.33 48.49 1ls8 h GLY 113 CO -0.34 -0.36 0.47 -2.08 0.00 0.00 0.00 176.54 174.23 1ls8 h VAL 114 N -0.86 1.05 0.00 4.60 2.07 -1.36 -0.63 116.25 121.13 1ls8 h VAL 114 Ca -0.06 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1ls8 h VAL 114 Cb 0.71 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1ls8 h VAL 114 CO 0.01 0.15 -0.30 0.00 0.02 0.00 0.00 177.57 177.44 1ls8 h ALA 115 N 1.60 1.03 0.00 1.67 0.00 -0.43 -2.50 119.26 120.63 1ls8 h ALA 115 Ca 0.30 -0.28 -0.27 0.00 0.00 0.00 0.00 54.91 54.66 1ls8 h ALA 115 Cb 0.19 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1ls8 h ALA 115 CO -0.10 0.38 -2.04 2.41 0.00 0.00 0.00 179.25 179.91 1ls8 n THR 116 N -3.49 1.04 -0.10 0.00 -1.04 -0.36 -3.74 114.28 106.59 1ls8 n THR 116 Ca -0.00 -0.57 -0.06 0.00 -2.04 0.00 0.00 64.05 61.38 1ls8 n THR 116 Cb 0.46 -0.76 0.01 0.00 -1.82 0.00 0.00 70.33 68.22 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 -0.06 0.81 -0.20 0.00 3.04 -1.59 -1.57 116.94 117.37 1ls8 h PHE 118 Ca 0.18 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 62.07 1ls8 h PHE 118 Cb 0.33 -0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.60 1ls8 h PHE 118 CO -0.36 0.19 -0.30 0.87 -2.02 0.00 0.00 178.31 176.69 1ls8 h LYS 119 N 0.65 0.39 -0.42 1.11 1.57 -1.51 -0.97 116.57 117.39 1ls8 h LYS 119 Ca 0.48 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.99 1ls8 h LYS 119 Cb 0.69 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1ls8 h LYS 119 CO -0.37 0.66 -0.20 0.00 -0.57 0.00 0.00 179.45 178.97 1ls8 h ALA 120 N 1.34 0.85 0.04 3.86 0.00 -1.05 -2.53 119.26 121.78 1ls8 h ALA 120 Ca 0.05 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ls8 h ALA 120 Cb 0.70 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ls8 h ALA 120 CO 0.05 0.64 -0.02 0.93 0.00 0.00 0.00 179.25 180.85 1ls8 h GLU 121 N 0.73 -0.06 0.00 0.00 4.39 -0.93 -1.44 114.58 117.27 1ls8 h GLU 121 Ca 0.10 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1ls8 h GLU 121 Cb 0.73 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.39 1ls8 h GLU 121 CO 0.06 0.06 -0.03 0.82 -1.16 0.00 0.00 179.01 178.75 1ls8 h ILE 122 N -0.16 0.58 0.26 3.13 1.08 -1.13 0.12 117.51 121.38 1ls8 h ILE 122 Ca -0.01 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.31 1ls8 h ILE 122 Cb 0.14 1.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.99 1ls8 h ILE 122 CO 0.01 0.03 -0.12 -0.74 -0.69 0.00 0.00 178.15 176.64 1ls8 h HIS 123 N 0.00 -0.32 0.00 1.37 2.76 -1.15 -1.61 115.15 116.20 1ls8 h HIS 123 Ca -0.00 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 1ls8 h HIS 123 Cb 0.09 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.15 1ls8 h HIS 123 CO 0.00 -0.20 -0.27 1.57 -1.30 0.00 0.00 177.93 177.73 1ls8 h LYS 124 N -0.69 0.00 0.00 5.26 2.10 -0.81 -0.90 116.57 121.53 1ls8 h LYS 124 Ca -0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1ls8 h LYS 124 Cb 0.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.59 1ls8 h LYS 124 CO 0.06 0.27 0.00 1.28 -2.00 0.00 0.00 179.45 179.06 1ls8 n LEU 125 N -4.17 0.00 -1.20 7.07 4.77 0.38 -4.85 117.00 119.00 1ls8 n LEU 125 Ca -0.02 0.45 -0.08 0.00 -0.03 0.00 0.00 56.01 56.33 1ls8 n LEU 125 Cb 0.32 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1ls8 n LEU 125 CO 0.37 -0.34 -0.01 -3.20 -1.33 0.00 0.00 177.39 172.88 1ls8 n ASN 126 N -1.45 -3.15 -1.73 -1.43 5.15 -0.34 -4.98 115.26 107.32 1ls8 n ASN 126 Ca 0.02 -0.09 -0.16 0.00 -0.60 0.00 0.00 54.58 53.75 1ls8 n ASN 126 Cb 0.08 -2.13 0.06 0.00 -0.53 0.00 0.00 39.78 37.27 1ls8 n ASN 126 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1ls8 n TRP 127 N -3.74 2.06 -3.22 1.20 8.01 -0.61 -4.84 117.44 116.30 1ls8 n TRP 127 Ca -0.05 -2.04 -0.32 0.00 -1.31 0.00 0.00 57.50 53.78 1ls8 n TRP 127 Cb 0.55 -0.31 -0.05 0.00 -2.01 0.00 0.00 31.31 29.49 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 -0.78 4.54 0.67 6.99 0.00 -1.21 -4.84 120.51 125.88 1ls8 n ALA 128 Ca 0.37 -4.77 0.13 0.00 0.00 0.00 0.00 53.44 49.16 1ls8 n ALA 128 Cb 0.90 -1.34 0.46 0.00 0.00 0.00 0.00 19.45 19.48 1ls8 n ALA 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ls8 n PRO 129 N 0.82 0.19 -1.01 0.00 -0.04 -1.26 -5.00 135.00 128.69 1ls8 n PRO 129 Ca 0.30 0.20 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1ls8 n PRO 129 Cb 0.38 -1.74 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1ls8 n PRO 129 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ls8 n SER 130 N -2.07 -1.97 0.00 3.54 7.64 -1.26 -5.02 113.62 114.49 1ls8 n SER 130 Ca 0.05 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1ls8 n SER 130 Cb 0.38 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 1ls8 n SER 130 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1ls8 n MET 131 N 1.11 0.00 -2.91 1.43 1.56 -1.26 -5.09 117.12 111.95 1ls8 n MET 131 Ca 0.00 0.00 -0.22 0.00 -0.27 0.00 0.00 57.70 57.21 1ls8 n MET 131 Cb 0.06 0.00 0.02 0.00 2.15 0.00 0.00 33.22 35.45 1ls8 n MET 131 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1ls8 s ASP 132 N -0.13 5.71 0.79 6.12 1.01 -1.26 -5.12 116.67 123.80 1ls8 s ASP 132 Ca 0.00 0.21 -0.09 0.00 0.71 0.00 0.00 52.55 53.37 1ls8 s ASP 132 Cb 0.00 -1.38 0.11 0.00 1.01 0.00 0.00 42.92 42.66 1ls8 s ASP 132 CO 0.00 -0.79 1.12 0.68 0.21 0.00 0.00 175.17 176.39 1ls8 s VAL 133 N -2.59 2.13 0.00 -1.27 -7.23 -1.26 -5.02 120.40 105.15 1ls8 s VAL 133 Ca 0.50 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 1ls8 s VAL 133 Cb -0.10 -2.95 0.00 0.00 0.56 0.00 0.00 36.38 33.89 1ls8 s VAL 133 CO 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.17 1ls8 n ALA 134 N -3.20 0.38 -2.34 1.32 0.00 -1.26 -4.96 120.51 110.44 1ls8 n ALA 134 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.19 1ls8 n ALA 134 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.53 3.76 0.00 0.00 1.01 -1.26 -4.57 120.40 117.80 1ls8 s VAL 135 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1ls8 s VAL 135 Cb 0.00 -4.69 0.00 0.00 0.00 0.00 0.00 36.38 31.69 1ls8 s VAL 135 CO 0.00 -1.53 0.00 0.61 0.00 0.00 0.00 175.10 174.18 1ls8 n GLY 136 N 6.55 -3.38 3.73 4.51 0.00 -1.26 -4.81 105.19 110.54 1ls8 n GLY 136 Ca 0.39 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 1ls8 n GLY 136 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ls8 s GLU 137 N -3.81 1.10 0.03 1.61 -6.30 -1.26 -4.82 118.70 105.24 1ls8 s GLU 137 Ca 0.00 0.59 -0.00 0.00 -2.50 0.00 0.00 54.97 53.05 1ls8 s GLU 137 Cb 0.00 -1.81 -0.02 0.00 0.00 0.00 0.00 34.13 32.30 1ls8 s GLU 137 CO 0.00 -2.29 -0.03 0.42 0.02 0.00 0.00 175.26 173.38 1ls8 s ILE 138 N -3.05 0.14 -0.06 -3.70 -1.09 -1.26 -4.90 121.20 107.29 1ls8 s ILE 138 Ca 0.64 -1.08 -0.02 0.00 -2.23 0.00 0.00 60.65 57.95 1ls8 s ILE 138 Cb -0.17 -0.50 0.04 0.00 -1.58 0.00 0.00 42.46 40.25 1ls8 s ILE 138 CO 0.56 -0.59 0.11 -0.22 -1.23 0.00 0.00 174.94 173.57 1ls8 s LEU 139 N -1.73 0.39 -0.10 2.97 0.20 -1.26 -5.15 118.68 113.99 1ls8 s LEU 139 Ca -0.12 0.21 -0.21 0.00 0.69 0.00 0.00 54.13 54.70 1ls8 s LEU 139 Cb -0.07 0.13 -0.04 0.00 -0.43 0.00 0.00 46.19 45.79 1ls8 s LEU 139 CO -0.03 -0.20 0.63 0.00 -0.29 0.00 0.00 176.35 176.46 1ls8 s ALA 140 N 1.76 3.41 0.00 5.97 0.00 -1.26 -4.91 121.76 126.73 1ls8 s ALA 140 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1ls8 s ALA 140 Cb -0.12 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.13 1ls8 s ALA 140 CO -0.05 -0.16 0.00 -1.91 0.00 0.00 0.00 175.76 173.65 1ls8 n GLU 141 N 3.98 1.51 0.00 0.00 2.13 -1.26 -5.35 120.64 121.65 1ls8 n GLU 141 Ca -0.03 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.92 1ls8 n GLU 141 Cb 0.51 -0.13 0.77 0.00 0.27 0.00 0.00 31.44 32.87 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05