#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ls8 h GLN 2 N 0.00 0.00 0.00 4.33 4.15 -2.00 -1.20 115.11 120.39 1ls8 h GLN 2 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1ls8 h GLN 2 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1ls8 h GLN 2 CO 0.00 0.00 -0.68 -1.91 -1.93 0.00 0.00 178.83 174.31 1ls8 n GLU 3 N -3.02 0.48 0.06 1.69 4.07 -1.26 -3.84 120.64 118.82 1ls8 n GLU 3 Ca -0.01 0.53 0.12 0.00 -0.06 0.00 0.00 57.16 57.73 1ls8 n GLU 3 Cb 0.17 -1.70 0.59 0.00 -0.06 0.00 0.00 31.44 30.44 1ls8 n GLU 3 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1ls8 h VAL 4 N -1.00 0.92 0.68 6.31 2.07 -1.90 0.38 116.25 123.71 1ls8 h VAL 4 Ca -0.07 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1ls8 h VAL 4 Cb 0.68 0.71 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1ls8 h VAL 4 CO -0.04 0.03 -0.33 0.24 0.02 0.00 0.00 177.57 177.49 1ls8 h MET 5 N 0.19 -0.89 -0.91 1.57 2.86 -1.43 0.41 114.93 116.73 1ls8 h MET 5 Ca 0.16 0.06 0.21 0.00 -2.06 0.00 0.00 59.70 58.07 1ls8 h MET 5 Cb 0.40 0.20 -0.12 0.00 0.06 0.00 0.00 31.60 32.14 1ls8 h MET 5 CO -0.03 -0.56 0.45 -0.22 1.06 0.00 0.00 176.91 177.61 1ls8 h LYS 6 N -1.06 0.47 0.00 1.72 1.63 -1.46 -1.34 116.57 116.53 1ls8 h LYS 6 Ca -0.09 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 1ls8 h LYS 6 Cb 0.74 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1ls8 h LYS 6 CO 0.15 0.31 -0.04 -0.97 -3.45 0.00 0.00 179.45 175.45 1ls8 h ASN 7 N 0.49 0.00 0.25 4.20 -1.24 0.27 -2.35 115.58 117.19 1ls8 h ASN 7 Ca 0.56 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.57 1ls8 h ASN 7 Cb 1.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.07 1ls8 h ASN 7 CO -0.48 0.04 -1.47 0.18 -1.29 0.00 0.00 177.43 174.41 1ls8 n LEU 8 N -3.15 0.42 0.00 0.34 4.77 0.09 -4.60 117.00 114.86 1ls8 n LEU 8 Ca 0.01 -0.03 0.03 0.00 -0.03 0.00 0.00 56.01 55.98 1ls8 n LEU 8 Cb 0.35 -0.03 0.13 0.00 -2.33 0.00 0.00 43.42 41.53 1ls8 n LEU 8 CO 0.29 0.02 0.59 -1.54 -1.33 0.00 0.00 177.39 175.42 1ls8 n SER 9 N -2.13 0.00 0.41 -1.43 3.41 -0.58 -2.25 113.62 111.05 1ls8 n SER 9 Ca -0.01 0.48 -0.16 0.00 -0.26 0.00 0.00 58.87 58.92 1ls8 n SER 9 Cb 0.50 -0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 63.89 1ls8 n SER 9 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1ls8 h LEU 10 N 0.00 -0.89 0.00 1.04 -0.00 -1.81 -2.87 115.31 110.78 1ls8 h LEU 10 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 1ls8 h LEU 10 Cb 0.10 0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1ls8 h LEU 10 CO 0.00 -0.60 0.00 0.59 -0.00 0.00 0.00 178.44 178.43 1ls8 n ASN 11 N -5.00 0.00 0.28 0.17 3.02 -0.95 -0.90 115.26 111.88 1ls8 n ASN 11 Ca -0.13 0.17 0.16 0.00 -0.03 0.00 0.00 54.58 54.76 1ls8 n ASN 11 Cb 0.41 -0.36 0.81 0.00 -0.61 0.00 0.00 39.78 40.04 1ls8 n ASN 11 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1ls8 h PHE 12 N 0.00 0.00 0.00 3.10 3.04 -1.50 -3.40 116.94 118.18 1ls8 h PHE 12 Ca 0.00 0.00 -0.15 0.00 3.98 0.00 0.00 57.97 61.80 1ls8 h PHE 12 Cb 0.22 0.00 -0.13 0.00 2.56 0.00 0.00 35.95 38.60 1ls8 h PHE 12 CO 0.00 0.06 -0.18 0.41 -2.02 0.00 0.00 178.31 176.58 1ls8 n GLY 13 N -0.47 -0.79 0.38 2.40 0.00 -0.07 -4.92 105.19 101.71 1ls8 n GLY 13 Ca -0.01 0.57 -0.21 0.00 0.00 0.00 0.00 46.02 46.36 1ls8 n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ls8 n LYS 14 N 0.94 0.43 0.00 1.61 4.81 -0.39 -4.42 118.16 121.13 1ls8 n LYS 14 Ca 0.02 0.19 0.01 0.00 -0.87 0.00 0.00 58.31 57.65 1ls8 n LYS 14 Cb 0.71 -1.22 0.03 0.00 0.02 0.00 0.00 35.03 34.57 1ls8 n LYS 14 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ls8 n ALA 15 N -3.91 1.45 -0.29 3.14 0.00 -1.26 -3.78 120.51 115.86 1ls8 n ALA 15 Ca -0.39 -0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.10 1ls8 n ALA 15 Cb 0.77 -1.02 0.28 0.00 0.00 0.00 0.00 19.45 19.48 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 0.84 -2.32 0.00 5.85 -1.92 -0.96 115.31 116.80 1ls8 h LEU 16 Ca 0.00 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1ls8 h LEU 16 Cb 0.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 1ls8 h LEU 16 CO 0.00 0.51 0.22 -0.78 -0.34 0.00 0.00 178.44 178.06 1ls8 h ASP 17 N 0.94 0.00 0.18 1.25 3.58 -1.92 0.21 116.42 120.65 1ls8 h ASP 17 Ca 0.40 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.84 1ls8 h ASP 17 Cb 0.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.37 1ls8 h ASP 17 CO -0.16 0.00 -0.09 -0.33 -2.88 0.00 0.00 179.24 175.78 1ls8 h GLU 18 N 0.00 -0.23 -0.10 0.28 5.08 -1.47 -2.04 114.58 116.09 1ls8 h GLU 18 Ca 0.03 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1ls8 h GLU 18 Cb 0.48 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ls8 h GLU 18 CO -0.00 -0.15 0.08 0.00 -1.00 0.00 0.00 179.01 177.94 1ls8 h LYS 20 N 0.00 0.03 0.74 0.00 1.57 -0.71 -0.10 116.57 118.10 1ls8 h LYS 20 Ca 0.05 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1ls8 h LYS 20 Cb 0.21 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1ls8 h LYS 20 CO -0.00 0.70 -0.36 -0.22 -0.57 0.00 0.00 179.45 179.00 1ls8 h LYS 21 N 0.02 -0.96 -0.69 3.15 1.63 -0.20 -1.06 116.57 118.46 1ls8 h LYS 21 Ca -0.01 0.07 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 1ls8 h LYS 21 Cb 1.21 0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 33.03 1ls8 h LYS 21 CO 0.09 -0.64 0.28 0.93 -3.45 0.00 0.00 179.45 176.66 1ls8 h GLU 22 N -1.26 1.03 -0.00 1.90 5.08 -0.52 0.63 114.58 121.43 1ls8 h GLU 22 Ca -0.10 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1ls8 h GLU 22 Cb 0.76 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1ls8 h GLU 22 CO 0.17 0.85 -0.53 -1.33 -1.00 0.00 0.00 179.01 177.16 1ls8 n MET 23 N -4.39 0.23 -3.28 2.33 2.81 -0.07 -4.99 117.12 109.77 1ls8 n MET 23 Ca 0.05 -0.15 -0.14 0.00 -1.81 0.00 0.00 57.70 55.65 1ls8 n MET 23 Cb 0.17 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.24 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 -1.25 -8.89 -2.74 2.03 -1.04 0.21 -5.04 114.28 97.57 1ls8 n THR 24 Ca 0.07 -1.08 -0.23 0.00 -2.04 0.00 0.00 64.05 60.77 1ls8 n THR 24 Cb 0.34 -6.29 0.03 0.00 -1.82 0.00 0.00 70.33 62.59 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 -5.26 3.41 0.32 -4.42 1.43 -0.45 -5.02 118.68 108.69 1ls8 s LEU 25 Ca 0.37 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 1ls8 s LEU 25 Cb -0.06 -3.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.03 1ls8 s LEU 25 CO 0.76 -0.96 0.50 0.42 0.23 0.00 0.00 176.35 177.29 1ls8 s THR 26 N -2.73 5.02 -1.66 5.49 -4.23 -1.26 -4.79 115.64 111.48 1ls8 s THR 26 Ca 0.53 -0.65 0.01 0.00 -1.18 0.00 0.00 61.69 60.41 1ls8 s THR 26 Cb -0.10 -3.81 0.05 0.00 1.34 0.00 0.00 72.50 69.98 1ls8 s THR 26 CO 0.39 -0.46 0.90 0.47 -0.54 0.00 0.00 174.62 175.38 1ls8 n ASP 27 N -1.69 0.64 0.01 3.99 8.00 -1.26 -2.99 116.55 123.25 1ls8 n ASP 27 Ca -0.05 -2.02 -0.12 0.00 0.71 0.00 0.00 54.79 53.30 1ls8 n ASP 27 Cb 0.57 -0.19 0.01 0.00 -0.02 0.00 0.00 41.12 41.48 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 2.80 0.54 0.00 2.24 0.00 -2.01 -3.32 119.26 119.50 1ls8 h ALA 28 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ls8 h ALA 28 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ls8 h ALA 28 CO 0.01 0.72 0.00 -0.84 0.00 0.00 0.00 179.25 179.14 1ls8 h ILE 29 N 0.40 0.00 -0.66 0.00 3.07 -1.94 0.15 117.51 118.53 1ls8 h ILE 29 Ca -0.02 -0.37 -0.04 0.00 1.55 0.00 0.00 64.86 65.98 1ls8 h ILE 29 Cb 1.27 1.24 -0.03 0.00 -0.27 0.00 0.00 36.82 39.03 1ls8 h ILE 29 CO 0.13 0.00 0.26 -1.13 -1.05 0.00 0.00 178.15 176.36 1ls8 h ASN 30 N 0.00 0.89 0.06 2.16 -1.24 -1.81 -2.62 115.58 113.02 1ls8 h ASN 30 Ca 0.00 -0.13 -0.15 0.00 0.71 0.00 0.00 56.30 56.73 1ls8 h ASN 30 Cb 0.43 -0.23 0.02 0.00 0.73 0.00 0.00 38.32 39.27 1ls8 h ASN 30 CO 0.00 0.80 -0.64 -0.08 -1.29 0.00 0.00 177.43 176.22 1ls8 h GLU 31 N 0.95 0.33 0.00 6.67 4.81 -1.00 -3.36 114.58 122.98 1ls8 h GLU 31 Ca 0.22 -0.43 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1ls8 h GLU 31 Cb 0.19 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1ls8 h GLU 31 CO -0.02 1.14 0.00 -0.25 -0.73 0.00 0.00 179.01 179.15 1ls8 n ASP 32 N -4.22 0.39 0.06 1.04 8.00 -0.15 -1.66 116.55 120.01 1ls8 n ASP 32 Ca -0.12 0.59 0.11 0.00 0.71 0.00 0.00 54.79 56.08 1ls8 n ASP 32 Cb 0.71 -0.68 0.45 0.00 -0.02 0.00 0.00 41.12 41.59 1ls8 n ASP 32 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1ls8 n PHE 33 N -1.93 0.42 -4.59 1.24 3.01 -1.00 -4.86 117.46 109.76 1ls8 n PHE 33 Ca 0.03 0.14 -0.27 0.00 1.01 0.00 0.00 57.45 58.37 1ls8 n PHE 33 Cb 0.23 -0.73 -0.11 0.00 -0.01 0.00 0.00 39.48 38.86 1ls8 n PHE 33 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1ls8 s TYR 34 N -3.11 2.46 -0.35 1.38 5.04 -0.66 -4.67 117.35 117.44 1ls8 s TYR 34 Ca 0.09 -0.61 -0.17 0.00 -2.44 0.00 0.00 57.07 53.93 1ls8 s TYR 34 Cb 0.12 -1.62 0.02 0.00 0.35 0.00 0.00 41.96 40.84 1ls8 s TYR 34 CO 0.43 0.49 0.41 -1.71 -1.34 0.00 0.00 175.55 173.83 1ls8 n ASN 35 N -0.89 -7.11 -0.32 4.32 5.15 -1.26 -4.98 115.26 110.17 1ls8 n ASN 35 Ca -0.05 0.51 0.11 0.00 -0.60 0.00 0.00 54.58 54.55 1ls8 n ASN 35 Cb 0.66 -3.83 0.00 0.00 -0.53 0.00 0.00 39.78 36.08 1ls8 n ASN 35 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1ls8 n PHE 36 N 0.16 0.00 -0.86 1.20 3.01 -1.26 -4.96 117.46 114.75 1ls8 n PHE 36 Ca 0.02 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.32 1ls8 n PHE 36 Cb 0.44 -0.02 0.13 0.00 -0.01 0.00 0.00 39.48 40.02 1ls8 n PHE 36 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 1ls8 n TRP 37 N -0.55 -3.53 -1.67 1.38 -0.00 -1.26 -4.89 117.44 106.92 1ls8 n TRP 37 Ca 0.08 -0.54 0.00 0.00 -0.00 0.00 0.00 57.50 57.04 1ls8 n TRP 37 Cb 0.41 -0.61 0.00 0.00 -0.00 0.00 0.00 31.31 31.12 1ls8 n TRP 37 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1ls8 n LYS 38 N -3.22 -4.10 0.00 5.87 4.01 -1.26 -4.19 118.16 115.27 1ls8 n LYS 38 Ca 0.08 3.04 0.00 0.00 -0.51 0.00 0.00 58.31 60.92 1ls8 n LYS 38 Cb 0.32 -3.16 0.00 0.00 -0.51 0.00 0.00 35.03 31.68 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 1.40 0.00 -0.08 1.97 0.28 -1.26 -1.68 120.64 121.26 1ls8 n GLU 39 Ca 0.00 0.39 -0.09 0.00 -0.16 0.00 0.00 57.16 57.30 1ls8 n GLU 39 Cb 0.00 -1.58 -0.11 0.00 1.43 0.00 0.00 31.44 31.18 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 -1.38 -0.62 3.51 -1.84 0.00 -1.26 -4.73 105.19 98.87 1ls8 n GLY 40 Ca 0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 1ls8 n GLY 40 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ls8 n TYR 41 N -2.70 4.60 -3.42 1.61 4.19 -0.68 -4.89 117.16 115.88 1ls8 n TYR 41 Ca -0.28 -2.89 -0.44 0.00 3.31 0.00 0.00 57.90 57.60 1ls8 n TYR 41 Cb 0.96 -2.60 -0.05 0.00 0.49 0.00 0.00 39.34 38.15 1ls8 n TYR 41 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1ls8 s GLU 42 N 3.94 3.17 -0.99 2.98 2.56 -1.26 -4.72 118.70 124.38 1ls8 s GLU 42 Ca 0.53 -2.24 -0.31 0.00 0.00 0.00 0.00 54.97 52.95 1ls8 s GLU 42 Cb 0.04 -4.23 -0.22 0.00 2.00 0.00 0.00 34.13 31.73 1ls8 s GLU 42 CO 0.06 -1.27 2.69 -0.89 -0.56 0.00 0.00 175.26 175.29 1ls8 n ILE 43 N 4.27 0.00 0.06 -3.70 5.41 -1.26 -4.83 119.36 119.30 1ls8 n ILE 43 Ca 0.05 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.61 1ls8 n ILE 43 Cb 0.43 -0.50 -0.10 0.00 -0.71 0.00 0.00 39.64 38.77 1ls8 n ILE 43 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1ls8 h LYS 44 N 11.93 0.61 -6.90 0.38 1.57 -1.99 -3.46 116.57 118.72 1ls8 h LYS 44 Ca -0.05 -0.69 -0.53 0.00 -1.87 0.00 0.00 60.65 57.51 1ls8 h LYS 44 Cb 1.31 0.20 0.09 0.00 0.08 0.00 0.00 32.23 33.91 1ls8 h LYS 44 CO 1.38 1.28 0.76 -0.80 -0.57 0.00 0.00 179.45 181.50 1ls8 s ASN 45 N -7.26 6.47 -0.00 0.86 -0.87 -1.26 -4.95 114.94 107.93 1ls8 s ASN 45 Ca -0.09 2.92 0.01 0.00 -1.57 0.00 0.00 52.86 54.13 1ls8 s ASN 45 Cb 0.07 -2.66 -0.01 0.00 -0.02 0.00 0.00 41.25 38.64 1ls8 s ASN 45 CO 0.91 -0.79 0.01 0.54 -2.57 0.00 0.00 177.10 175.20 1ls8 n ARG 46 N 0.90 1.62 0.24 -0.60 5.12 -1.26 -4.62 116.66 118.07 1ls8 n ARG 46 Ca 0.02 -0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.01 1ls8 n ARG 46 Cb 0.40 -1.02 0.58 0.00 -1.16 0.00 0.00 32.46 31.26 1ls8 n ARG 46 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1ls8 h GLU 47 N 0.00 0.00 -0.04 5.56 3.07 -1.97 -3.27 114.58 117.92 1ls8 h GLU 47 Ca -0.01 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1ls8 h GLU 47 Cb 0.45 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.31 1ls8 h GLU 47 CO 0.00 0.15 -0.40 1.15 -1.40 0.00 0.00 179.01 178.51 1ls8 h THR 48 N 0.00 0.00 0.00 1.13 2.02 -1.97 -0.62 112.91 113.48 1ls8 h THR 48 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ls8 h THR 48 Cb 0.29 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1ls8 h THR 48 CO 0.02 0.00 0.00 1.23 0.37 0.00 0.00 175.52 177.14 1ls8 h GLY 49 N -0.47 0.00 0.95 2.16 0.00 -1.88 -0.36 103.07 103.47 1ls8 h GLY 49 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.36 1ls8 h GLY 49 CO -0.29 0.00 0.50 0.00 0.00 0.00 0.00 176.54 176.75 1ls8 h ALA 51 N 1.30 0.57 -0.86 0.00 0.00 0.15 -2.76 119.26 117.66 1ls8 h ALA 51 Ca 0.29 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 55.16 1ls8 h ALA 51 Cb -0.07 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 1ls8 h ALA 51 CO -0.08 0.14 0.52 0.82 0.00 0.00 0.00 179.25 180.65 1ls8 h ILE 52 N 0.57 0.98 -0.37 0.00 2.04 -0.65 -1.81 117.51 118.28 1ls8 h ILE 52 Ca 0.15 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.70 1ls8 h ILE 52 Cb 0.14 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 1ls8 h ILE 52 CO -0.02 0.17 0.24 -0.03 0.00 0.00 0.00 178.15 178.51 1ls8 h MET 53 N 0.91 0.49 -0.50 2.37 4.05 -0.83 -1.14 114.93 120.28 1ls8 h MET 53 Ca 0.39 -0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.84 1ls8 h MET 53 Cb 0.27 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.91 1ls8 h MET 53 CO -0.21 0.33 0.22 0.00 0.23 0.00 0.00 176.91 177.48 1ls8 h LEU 55 N 0.42 -0.27 -0.89 0.00 3.38 -0.86 -1.67 115.31 115.42 1ls8 h LEU 55 Ca 0.23 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 1ls8 h LEU 55 Cb 0.20 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1ls8 h LEU 55 CO -0.20 -0.17 0.16 0.28 0.09 0.00 0.00 178.44 178.60 1ls8 h SER 56 N -0.25 0.91 0.34 -0.43 0.02 -0.85 0.24 113.55 113.53 1ls8 h SER 56 Ca -0.00 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1ls8 h SER 56 Cb 0.23 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1ls8 h SER 56 CO -0.02 0.88 -0.51 0.74 -1.14 0.00 0.00 176.83 176.79 1ls8 h THR 57 N 0.93 0.00 -0.26 -2.27 2.02 -1.29 0.48 112.91 112.52 1ls8 h THR 57 Ca 0.20 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.31 1ls8 h THR 57 Cb 0.33 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 1ls8 h THR 57 CO -0.00 0.00 -0.16 0.50 0.37 0.00 0.00 175.52 176.23 1ls8 h LYS 58 N -0.89 0.45 0.00 6.66 1.63 -0.28 -1.41 116.57 122.74 1ls8 h LYS 58 Ca -0.04 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.62 1ls8 h LYS 58 Cb 0.82 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.40 1ls8 h LYS 58 CO -0.16 0.61 0.00 1.28 -3.45 0.00 0.00 179.45 177.73 1ls8 n LEU 59 N -4.19 0.00 -3.50 5.20 4.77 0.73 -4.85 117.00 115.17 1ls8 n LEU 59 Ca 0.00 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.76 1ls8 n LEU 59 Cb 0.34 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.51 1ls8 n LEU 59 CO 0.40 0.00 0.21 0.59 -1.33 0.00 0.00 177.39 177.27 1ls8 n ASN 60 N -0.92 -5.32 -0.04 -1.43 3.02 -0.53 -4.94 115.26 105.10 1ls8 n ASN 60 Ca 0.13 -0.55 -0.04 0.00 -0.03 0.00 0.00 54.58 54.09 1ls8 n ASN 60 Cb 0.06 -4.96 -0.01 0.00 -0.61 0.00 0.00 39.78 34.25 1ls8 n ASN 60 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1ls8 n MET 61 N -4.72 0.26 -2.68 3.52 1.56 0.08 -4.66 117.12 110.49 1ls8 n MET 61 Ca -0.06 0.17 -0.35 0.00 -0.27 0.00 0.00 57.70 57.19 1ls8 n MET 61 Cb 0.58 -1.03 -0.05 0.00 2.15 0.00 0.00 33.22 34.87 1ls8 n MET 61 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1ls8 s LEU 62 N -6.48 4.02 0.00 -0.89 1.43 -0.72 -4.18 118.68 111.86 1ls8 s LEU 62 Ca -0.13 1.86 -0.18 0.00 -1.03 0.00 0.00 54.13 54.64 1ls8 s LEU 62 Cb 0.02 -4.39 0.26 0.00 0.03 0.00 0.00 46.19 42.11 1ls8 s LEU 62 CO 0.20 -0.46 1.09 -0.90 0.23 0.00 0.00 176.35 176.51 1ls8 n ASP 63 N -0.42 -1.39 -2.05 2.29 5.75 -0.97 -4.71 116.55 115.05 1ls8 n ASP 63 Ca 0.06 -1.22 -0.20 0.00 -0.01 0.00 0.00 54.79 53.42 1ls8 n ASP 63 Cb 0.52 -0.95 0.02 0.00 -1.03 0.00 0.00 41.12 39.68 1ls8 n ASP 63 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1ls8 n PRO 64 N -4.34 1.99 0.00 0.11 -0.04 -1.26 -3.81 135.00 127.65 1ls8 n PRO 64 Ca 0.15 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.77 1ls8 n PRO 64 Cb 0.55 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.41 0.00 0.00 0.54 1.02 -1.26 -5.05 120.64 116.29 1ls8 n GLU 65 Ca 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1ls8 n GLU 65 Cb 0.58 -0.34 0.00 0.00 -0.02 0.00 0.00 31.44 31.66 1ls8 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ls8 n GLY 66 N 1.57 0.68 3.84 0.62 0.00 -1.25 -5.15 105.19 105.50 1ls8 n GLY 66 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.01 6.86 0.07 1.61 0.01 -1.26 -4.92 114.94 116.30 1ls8 s ASN 67 Ca 0.00 1.07 -0.30 0.00 -0.71 0.00 0.00 52.86 52.92 1ls8 s ASN 67 Cb 0.00 -2.29 -0.05 0.00 0.41 0.00 0.00 41.25 39.32 1ls8 s ASN 67 CO 0.00 0.20 1.12 -0.22 -1.51 0.00 0.00 177.10 176.69 1ls8 s LEU 68 N -1.56 4.39 -0.26 0.60 1.98 -1.26 -2.28 118.68 120.29 1ls8 s LEU 68 Ca 0.32 1.93 -0.08 0.00 -2.89 0.00 0.00 54.13 53.41 1ls8 s LEU 68 Cb -0.16 -3.58 -0.02 0.00 0.66 0.00 0.00 46.19 43.08 1ls8 s LEU 68 CO 0.18 -0.36 0.09 -2.28 -1.89 0.00 0.00 176.35 172.09 1ls8 s HIS 69 N 0.80 3.11 0.01 5.38 5.65 -1.26 -4.99 115.29 123.99 1ls8 s HIS 69 Ca 0.55 -0.46 -0.05 0.00 0.25 0.00 0.00 55.06 55.35 1ls8 s HIS 69 Cb -0.27 -2.26 -0.02 0.00 -1.18 0.00 0.00 32.58 28.85 1ls8 s HIS 69 CO 0.30 -0.38 1.08 0.45 -0.65 0.00 0.00 174.74 175.54 1ls8 h HIS 70 N 8.26 -0.20 -0.28 3.88 -0.00 -1.96 0.73 115.15 125.58 1ls8 h HIS 70 Ca -0.37 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 59.95 1ls8 h HIS 70 Cb 1.17 0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.64 1ls8 h HIS 70 CO 0.67 -0.09 -0.05 0.78 -0.00 0.00 0.00 177.93 179.23 1ls8 h GLY 71 N -0.13 0.48 2.00 2.45 0.00 -1.98 -1.54 103.07 104.36 1ls8 h GLY 71 Ca -0.01 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 46.90 1ls8 h GLY 71 CO -0.02 0.27 -0.62 3.43 0.00 0.00 0.00 176.54 179.60 1ls8 h ASN 72 N 0.43 0.00 -0.09 0.19 4.21 -1.84 0.38 115.58 118.86 1ls8 h ASN 72 Ca 0.09 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.57 1ls8 h ASN 72 Cb 0.37 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1ls8 h ASN 72 CO 0.02 0.62 -0.04 0.00 -1.29 0.00 0.00 177.43 176.74 1ls8 h ALA 73 N 1.38 0.12 -0.75 -0.83 0.00 -0.61 -3.26 119.26 115.31 1ls8 h ALA 73 Ca -0.01 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.80 1ls8 h ALA 73 Cb 1.12 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 1ls8 h ALA 73 CO 0.08 -0.12 0.32 1.98 0.00 0.00 0.00 179.25 181.51 1ls8 h MET 74 N -0.18 0.47 -0.51 0.00 1.85 -0.85 -1.39 114.93 114.32 1ls8 h MET 74 Ca 0.02 -0.03 0.15 0.00 -0.61 0.00 0.00 59.70 59.23 1ls8 h MET 74 Cb 0.48 -0.11 -0.02 0.00 0.43 0.00 0.00 31.60 32.39 1ls8 h MET 74 CO 0.01 0.31 0.37 0.93 -0.40 0.00 0.00 176.91 178.13 1ls8 h GLU 75 N 0.49 0.00 0.03 0.39 4.39 -0.97 0.22 114.58 119.13 1ls8 h GLU 75 Ca 0.40 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 60.10 1ls8 h GLU 75 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1ls8 h GLU 75 CO -0.37 0.00 -0.02 0.35 -1.16 0.00 0.00 179.01 177.81 1ls8 h PHE 76 N 0.00 -0.04 -0.55 4.33 3.04 -1.34 -3.22 116.94 119.17 1ls8 h PHE 76 Ca 0.24 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.18 1ls8 h PHE 76 Cb 0.97 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 39.47 1ls8 h PHE 76 CO 0.00 0.58 0.31 0.00 -2.02 0.00 0.00 178.31 177.18 1ls8 h ALA 77 N 0.19 0.70 0.00 2.41 0.00 -1.06 -2.45 119.26 119.06 1ls8 h ALA 77 Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ls8 h ALA 77 Cb 0.64 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ls8 h ALA 77 CO 0.01 0.21 -0.02 1.57 0.00 0.00 0.00 179.25 181.02 1ls8 h LYS 78 N 0.74 0.00 0.28 0.00 5.09 -0.74 -1.72 116.57 120.21 1ls8 h LYS 78 Ca 0.19 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.92 1ls8 h LYS 78 Cb 0.03 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.36 1ls8 h LYS 78 CO -0.03 0.02 -0.13 -0.22 -2.09 0.00 0.00 179.45 176.99 1ls8 h LYS 79 N 0.00 -0.36 0.00 0.07 1.63 -1.44 -1.59 116.57 114.88 1ls8 h LYS 79 Ca -0.00 0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.76 1ls8 h LYS 79 Cb 0.12 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.82 1ls8 h LYS 79 CO 0.00 -0.21 -0.29 0.45 -3.45 0.00 0.00 179.45 175.95 1ls8 h HIS 80 N -0.41 0.00 -0.31 1.91 3.86 -1.71 -3.48 115.15 115.01 1ls8 h HIS 80 Ca -0.04 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1ls8 h HIS 80 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1ls8 h HIS 80 CO -0.05 0.29 0.00 0.41 0.86 0.00 0.00 177.93 179.44 1ls8 n GLY 81 N 0.98 0.78 3.33 2.45 0.00 -0.60 -5.07 105.19 107.07 1ls8 n GLY 81 Ca 0.02 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.84 -0.64 0.48 4.61 0.00 -0.71 -4.97 121.76 118.69 1ls8 s ALA 82 Ca 0.00 -0.78 -0.20 0.00 0.00 0.00 0.00 51.96 50.98 1ls8 s ALA 82 Cb 0.00 -2.96 -0.09 0.00 0.00 0.00 0.00 23.12 20.07 1ls8 s ALA 82 CO 0.00 -4.49 1.00 -0.51 0.00 0.00 0.00 175.76 171.75 1ls8 s ASP 83 N -3.15 6.58 -0.07 0.00 1.01 -1.26 -4.90 116.67 114.87 1ls8 s ASP 83 Ca 0.69 1.77 -0.20 0.00 0.71 0.00 0.00 52.55 55.53 1ls8 s ASP 83 Cb -0.14 -2.54 -0.15 0.00 1.01 0.00 0.00 42.92 41.10 1ls8 s ASP 83 CO 0.58 -0.61 0.75 -0.08 0.21 0.00 0.00 175.17 176.02 1ls8 h GLU 84 N 1.53 -0.16 -0.65 8.23 4.81 -1.98 0.98 114.58 127.34 1ls8 h GLU 84 Ca -0.49 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.79 1ls8 h GLU 84 Cb 1.20 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 1ls8 h GLU 84 CO 0.60 0.30 0.39 1.15 -0.73 0.00 0.00 179.01 180.72 1ls8 h THR 85 N -0.90 1.04 -0.24 0.32 2.02 -1.99 -1.58 112.91 111.59 1ls8 h THR 85 Ca -0.02 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.86 1ls8 h THR 85 Cb 0.53 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1ls8 h THR 85 CO 0.03 0.14 -0.06 -0.03 0.37 0.00 0.00 175.52 175.97 1ls8 h MET 86 N 0.74 0.46 -0.52 6.66 1.85 -1.94 0.41 114.93 122.59 1ls8 h MET 86 Ca 0.27 -0.17 -0.08 0.00 -0.61 0.00 0.00 59.70 59.11 1ls8 h MET 86 Cb 0.08 -0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 1ls8 h MET 86 CO -0.13 0.69 0.03 0.00 -0.40 0.00 0.00 176.91 177.09 1ls8 h ALA 87 N 0.76 0.70 -0.04 0.39 0.00 -0.59 -0.25 119.26 120.23 1ls8 h ALA 87 Ca 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ls8 h ALA 87 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ls8 h ALA 87 CO 0.02 0.49 -0.01 0.37 0.00 0.00 0.00 179.25 180.12 1ls8 h GLN 88 N 0.77 -0.01 -0.26 0.00 5.75 -1.24 -2.68 115.11 117.44 1ls8 h GLN 88 Ca 0.15 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1ls8 h GLN 88 Cb 0.49 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.02 1ls8 h GLN 88 CO 0.02 -0.00 0.14 1.96 -2.65 0.00 0.00 178.83 178.30 1ls8 h GLN 89 N -0.01 0.28 0.00 1.69 4.20 -0.29 -0.53 115.11 120.46 1ls8 h GLN 89 Ca 0.02 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1ls8 h GLN 89 Cb 0.04 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1ls8 h GLN 89 CO -0.04 0.19 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.17 1ls8 h LEU 90 N 0.29 0.00 0.04 1.46 4.07 -0.98 0.27 115.31 120.45 1ls8 h LEU 90 Ca 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.06 1ls8 h LEU 90 Cb 0.02 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1ls8 h LEU 90 CO -0.06 0.07 -0.02 0.40 -1.08 0.00 0.00 178.44 177.75 1ls8 h ILE 91 N 0.00 1.37 -0.53 1.22 2.04 -1.09 -3.21 117.51 117.30 1ls8 h ILE 91 Ca -0.00 -1.61 0.06 0.00 1.00 0.00 0.00 64.86 64.31 1ls8 h ILE 91 Cb 0.29 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 1ls8 h ILE 91 CO 0.01 0.39 0.35 0.44 0.00 0.00 0.00 178.15 179.34 1ls8 h ASP 92 N -0.79 0.42 -0.32 1.72 3.32 0.17 -2.48 116.42 118.46 1ls8 h ASP 92 Ca -0.01 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.87 1ls8 h ASP 92 Cb 0.68 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1ls8 h ASP 92 CO 0.01 0.28 -0.49 0.40 -1.72 0.00 0.00 179.24 177.71 1ls8 h ILE 93 N 0.48 1.27 -0.87 0.35 2.04 -0.63 -1.70 117.51 118.45 1ls8 h ILE 93 Ca 0.23 -1.67 0.13 0.00 1.00 0.00 0.00 64.86 64.55 1ls8 h ILE 93 Cb 0.29 1.54 -0.09 0.00 -0.74 0.00 0.00 36.82 37.82 1ls8 h ILE 93 CO -0.06 0.55 0.48 1.62 0.00 0.00 0.00 178.15 180.74 1ls8 h VAL 94 N 0.71 0.81 -0.38 1.67 3.04 -1.45 -0.08 116.25 120.57 1ls8 h VAL 94 Ca 0.03 -0.25 -0.03 0.00 -1.01 0.00 0.00 66.70 65.44 1ls8 h VAL 94 Cb 1.10 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.37 1ls8 h VAL 94 CO 0.11 0.13 0.09 -0.74 -1.01 0.00 0.00 177.57 176.16 1ls8 h HIS 95 N 0.73 0.56 -0.03 3.17 6.17 -1.13 0.22 115.15 124.83 1ls8 h HIS 95 Ca 0.45 -0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.46 1ls8 h HIS 95 Cb 0.56 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.32 1ls8 h HIS 95 CO -0.07 0.48 -0.16 0.78 0.71 0.00 0.00 177.93 179.68 1ls8 h GLY 96 N 0.77 0.18 1.00 5.26 0.00 -1.15 -3.18 103.07 105.95 1ls8 h GLY 96 Ca 0.13 -0.25 -0.12 0.00 0.00 0.00 0.00 47.33 47.09 1ls8 h GLY 96 CO -0.00 0.22 -0.24 0.00 0.00 0.00 0.00 176.54 176.52 1ls8 h GLU 98 N 0.55 0.18 -0.25 0.00 5.08 -0.79 0.22 114.58 119.58 1ls8 h GLU 98 Ca 0.07 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1ls8 h GLU 98 Cb 0.80 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 1ls8 h GLU 98 CO 0.06 0.37 0.00 -0.22 -1.00 0.00 0.00 179.01 178.23 1ls8 h LYS 99 N 0.17 0.43 0.00 2.33 3.11 -1.42 -2.88 116.57 118.32 1ls8 h LYS 99 Ca 0.03 -0.14 -0.02 0.00 -2.81 0.00 0.00 60.65 57.72 1ls8 h LYS 99 Cb 0.44 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1ls8 h LYS 99 CO 0.03 0.60 -0.09 0.77 -2.81 0.00 0.00 179.45 177.95 1ls8 h SER 100 N 0.21 0.00 -2.98 4.20 0.02 -0.59 -3.38 113.55 111.04 1ls8 h SER 100 Ca 0.07 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 60.41 1ls8 h SER 100 Cb 0.41 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 62.54 1ls8 h SER 100 CO 0.01 0.09 -0.66 -0.89 -1.14 0.00 0.00 176.83 174.25 1ls8 s THR 101 N -3.76 2.36 0.00 -2.27 2.01 0.76 -5.00 115.64 109.73 1ls8 s THR 101 Ca 0.00 -3.92 0.00 0.00 0.31 0.00 0.00 61.69 58.08 1ls8 s THR 101 Cb 0.10 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 70.05 1ls8 s THR 101 CO 0.57 -1.05 0.37 -0.81 -0.69 0.00 0.00 174.62 173.01 1ls8 n PRO 102 N 2.18 0.00 -3.90 4.92 -0.04 -1.21 -4.58 135.00 132.37 1ls8 n PRO 102 Ca 0.21 0.30 -0.10 0.00 -0.04 0.00 0.00 63.50 63.88 1ls8 n PRO 102 Cb 0.38 -1.03 -0.10 0.00 -0.04 0.00 0.00 33.50 32.70 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 -3.03 -0.19 0.27 0.55 0.00 -1.26 -5.04 121.76 113.05 1ls8 s ALA 103 Ca 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 51.69 1ls8 s ALA 103 Cb 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 23.12 23.22 1ls8 s ALA 103 CO 0.00 -0.23 0.02 1.21 0.00 0.00 0.00 175.76 176.76 1ls8 s ASN 104 N -1.58 2.08 0.33 0.00 3.84 -1.26 -5.03 114.94 113.31 1ls8 s ASN 104 Ca -0.13 -1.29 0.06 0.00 0.21 0.00 0.00 52.86 51.72 1ls8 s ASN 104 Cb -0.06 -0.03 0.73 0.00 -0.55 0.00 0.00 41.25 41.33 1ls8 s ASN 104 CO -0.00 -0.54 1.86 -0.78 -2.79 0.00 0.00 177.10 174.84 1ls8 h ASP 105 N 2.31 0.75 -3.30 -4.21 3.58 -2.02 -3.41 116.42 110.12 1ls8 h ASP 105 Ca -0.39 0.04 -0.59 0.00 0.42 0.00 0.00 57.03 56.51 1ls8 h ASP 105 Cb 1.23 -0.10 -0.37 0.00 1.72 0.00 0.00 39.33 41.81 1ls8 h ASP 105 CO 0.66 0.38 -0.81 -0.62 -2.88 0.00 0.00 179.24 175.98 1ls8 s ASP 106 N -5.75 2.93 0.66 2.28 2.15 -1.26 -5.00 116.67 112.67 1ls8 s ASP 106 Ca -0.11 -0.66 0.37 0.00 0.43 0.00 0.00 52.55 52.58 1ls8 s ASP 106 Cb 0.22 -1.09 2.01 0.00 -0.30 0.00 0.00 42.92 43.76 1ls8 s ASP 106 CO 0.79 -0.13 2.16 0.50 -0.17 0.00 0.00 175.17 178.32 1ls8 h LYS 107 N 8.06 0.00 0.75 4.34 3.11 -1.99 0.49 116.57 131.33 1ls8 h LYS 107 Ca -0.30 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.51 1ls8 h LYS 107 Cb 1.11 0.00 0.01 0.00 -1.00 0.00 0.00 32.23 32.35 1ls8 h LYS 107 CO 0.46 0.00 -0.36 0.00 -2.81 0.00 0.00 179.45 176.74 1ls8 h ILE 109 N -1.22 0.94 0.54 0.00 1.08 -1.29 0.21 117.51 117.77 1ls8 h ILE 109 Ca -0.10 -0.16 -0.03 0.00 -0.39 0.00 0.00 64.86 64.18 1ls8 h ILE 109 Cb 0.78 0.45 0.01 0.00 -3.07 0.00 0.00 36.82 34.98 1ls8 h ILE 109 CO 0.17 0.08 -0.26 -0.25 -0.69 0.00 0.00 178.15 177.20 1ls8 h TRP 110 N 0.45 -0.68 0.28 1.37 7.01 -1.05 0.00 115.95 123.35 1ls8 h TRP 110 Ca 0.25 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.23 1ls8 h TRP 110 Cb 0.40 0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.67 1ls8 h TRP 110 CO -0.00 -0.42 -0.24 1.15 -2.79 0.00 0.00 178.44 176.14 1ls8 h THR 111 N -0.73 0.50 -0.85 2.65 2.02 -0.29 -2.18 112.91 114.03 1ls8 h THR 111 Ca -0.07 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.30 1ls8 h THR 111 Cb 0.56 0.50 -0.12 0.00 -1.74 0.00 0.00 68.15 67.35 1ls8 h THR 111 CO 0.12 0.00 0.36 -0.07 0.37 0.00 0.00 175.52 176.30 1ls8 h LEU 112 N -0.53 0.30 0.53 2.58 -0.00 -0.72 0.43 115.31 117.90 1ls8 h LEU 112 Ca -0.02 0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 57.99 1ls8 h LEU 112 Cb 0.48 0.12 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1ls8 h LEU 112 CO -0.02 0.04 -0.43 1.23 -0.00 0.00 0.00 178.44 179.26 1ls8 h GLY 113 N 0.42 -1.08 0.65 0.83 0.00 -0.38 0.84 103.07 104.35 1ls8 h GLY 113 Ca 0.51 0.49 0.08 0.00 0.00 0.00 0.00 47.33 48.40 1ls8 h GLY 113 CO -0.49 -0.36 0.56 -2.08 0.00 0.00 0.00 176.54 174.17 1ls8 h VAL 114 N -0.94 1.01 -0.19 4.60 2.07 -0.75 -1.91 116.25 120.14 1ls8 h VAL 114 Ca -0.06 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 1ls8 h VAL 114 Cb 0.80 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1ls8 h VAL 114 CO -0.00 0.18 -0.40 0.00 0.02 0.00 0.00 177.57 177.37 1ls8 h ALA 115 N 1.44 0.96 -0.10 1.67 0.00 0.07 0.24 119.26 123.56 1ls8 h ALA 115 Ca 0.41 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1ls8 h ALA 115 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ls8 h ALA 115 CO -0.20 0.62 -0.33 1.15 0.00 0.00 0.00 179.25 180.49 1ls8 h THR 116 N 0.36 1.40 -0.43 0.00 2.02 -0.44 -3.14 112.91 112.67 1ls8 h THR 116 Ca 0.03 -1.68 0.03 0.00 0.77 0.00 0.00 66.41 65.56 1ls8 h THR 116 Cb 0.86 2.21 -0.04 0.00 -1.74 0.00 0.00 68.15 69.44 1ls8 h THR 116 CO 0.07 0.49 0.22 0.00 0.37 0.00 0.00 175.52 176.67 1ls8 h PHE 118 N 0.44 -0.77 -0.55 0.00 3.04 -1.00 -1.24 116.94 116.87 1ls8 h PHE 118 Ca 0.18 0.05 -0.07 0.00 3.98 0.00 0.00 57.97 62.11 1ls8 h PHE 118 Cb 0.08 0.38 -0.02 0.00 2.56 0.00 0.00 35.95 38.96 1ls8 h PHE 118 CO -0.10 -0.35 0.04 -0.22 -2.02 0.00 0.00 178.31 175.66 1ls8 h LYS 119 N -0.26 0.90 -0.85 1.11 1.63 -1.44 -2.16 116.57 115.51 1ls8 h LYS 119 Ca 0.16 -0.24 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 1ls8 h LYS 119 Cb 0.50 -0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 31.99 1ls8 h LYS 119 CO -0.46 0.87 0.47 0.00 -3.45 0.00 0.00 179.45 176.88 1ls8 h ALA 120 N 1.20 1.09 -0.19 5.00 0.00 -0.45 -1.12 119.26 124.78 1ls8 h ALA 120 Ca 0.17 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1ls8 h ALA 120 Cb 0.44 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ls8 h ALA 120 CO 0.02 0.59 0.06 0.93 0.00 0.00 0.00 179.25 180.84 1ls8 h GLU 121 N 1.18 0.29 -0.38 0.00 4.39 -1.03 -1.22 114.58 117.82 1ls8 h GLU 121 Ca 0.30 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 60.05 1ls8 h GLU 121 Cb 0.02 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 1ls8 h GLU 121 CO -0.05 0.40 0.29 0.82 -1.16 0.00 0.00 179.01 179.31 1ls8 h ILE 122 N 0.13 0.76 0.51 3.13 1.08 -0.87 0.16 117.51 122.41 1ls8 h ILE 122 Ca 0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 1ls8 h ILE 122 Cb 0.23 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1ls8 h ILE 122 CO -0.00 0.00 -0.24 -0.74 -0.69 0.00 0.00 178.15 176.47 1ls8 h HIS 123 N 0.00 -0.63 0.00 1.37 -0.00 -0.81 -2.25 115.15 112.83 1ls8 h HIS 123 Ca 0.18 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.54 1ls8 h HIS 123 Cb 0.75 0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.37 1ls8 h HIS 123 CO 0.00 -0.39 0.00 1.57 -0.00 0.00 0.00 177.93 179.11 1ls8 h LYS 124 N -1.15 0.00 0.00 5.26 5.09 -0.54 -1.32 116.57 123.91 1ls8 h LYS 124 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.67 1ls8 h LYS 124 Cb 0.52 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.85 1ls8 h LYS 124 CO 0.11 0.00 0.00 1.28 -2.09 0.00 0.00 179.45 178.75 1ls8 n LEU 125 N -2.94 0.00 -3.59 7.07 4.77 0.51 -4.93 117.00 117.89 1ls8 n LEU 125 Ca -0.01 0.47 -0.23 0.00 -0.03 0.00 0.00 56.01 56.22 1ls8 n LEU 125 Cb 0.19 -0.47 0.08 0.00 -2.33 0.00 0.00 43.42 40.88 1ls8 n LEU 125 CO 0.23 -0.09 0.19 -3.20 -1.33 0.00 0.00 177.39 173.18 1ls8 n ASN 126 N -1.47 -4.97 -1.43 -1.43 2.85 -0.50 -4.96 115.26 103.34 1ls8 n ASN 126 Ca 0.06 -0.59 -0.11 0.00 -0.11 0.00 0.00 54.58 53.83 1ls8 n ASN 126 Cb 0.26 -4.93 0.10 0.00 1.24 0.00 0.00 39.78 36.45 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 -4.74 1.59 -3.08 1.20 8.01 -0.85 -4.88 117.44 114.69 1ls8 n TRP 127 Ca -0.08 -1.91 0.01 0.00 -1.31 0.00 0.00 57.50 54.21 1ls8 n TRP 127 Cb 0.59 -0.30 -0.00 0.00 -2.01 0.00 0.00 31.31 29.58 1ls8 n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ls8 s ALA 128 N -3.44 -2.86 -0.03 6.99 0.00 -1.25 -4.91 121.76 116.27 1ls8 s ALA 128 Ca 0.45 0.43 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 1ls8 s ALA 128 Cb 0.39 -2.80 -0.12 0.00 0.00 0.00 0.00 23.12 20.59 1ls8 s ALA 128 CO -0.01 -2.29 0.83 -1.00 0.00 0.00 0.00 175.76 173.30 1ls8 h PRO 129 N 6.49 -0.51 0.00 0.00 0.13 -1.90 -3.47 132.00 132.74 1ls8 h PRO 129 Ca 0.03 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1ls8 h PRO 129 Cb 1.19 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1ls8 h PRO 129 CO 0.05 -0.24 0.00 0.45 -0.23 0.00 0.00 178.00 178.04 1ls8 n SER 130 N -5.14 -3.28 0.06 1.44 2.88 -1.26 -5.01 113.62 103.31 1ls8 n SER 130 Ca -0.08 0.79 -0.02 0.00 -1.33 0.00 0.00 58.87 58.23 1ls8 n SER 130 Cb 0.26 3.11 -0.01 0.00 -0.75 0.00 0.00 64.21 66.81 1ls8 n SER 130 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1ls8 h MET 131 N 0.00 -0.15 -6.73 -1.46 2.86 -2.04 -3.43 114.93 103.97 1ls8 h MET 131 Ca 0.00 0.01 -0.51 0.00 -2.06 0.00 0.00 59.70 57.14 1ls8 h MET 131 Cb 0.00 0.03 0.02 0.00 0.06 0.00 0.00 31.60 31.71 1ls8 h MET 131 CO 0.00 -0.10 0.52 0.34 1.06 0.00 0.00 176.91 178.73 1ls8 s ASP 132 N -2.44 7.16 0.00 1.22 2.15 -1.26 -4.83 116.67 118.67 1ls8 s ASP 132 Ca -0.02 2.26 0.00 0.00 0.43 0.00 0.00 52.55 55.22 1ls8 s ASP 132 Cb 0.00 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 1ls8 s ASP 132 CO 0.07 -0.27 0.00 1.33 -0.17 0.00 0.00 175.17 176.13 1ls8 n VAL 133 N 1.85 0.00 0.00 1.11 0.24 -1.26 -3.88 118.33 116.39 1ls8 n VAL 133 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1ls8 n VAL 133 Cb 0.45 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 1ls8 n VAL 133 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ls8 n ALA 134 N -1.87 0.00 -2.47 2.33 0.00 -1.26 -4.93 120.51 112.31 1ls8 n ALA 134 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1ls8 n ALA 134 Cb 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.67 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 1.73 0.00 0.00 1.01 -1.26 -4.37 120.40 117.51 1ls8 s VAL 135 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.71 1ls8 s VAL 135 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.87 1ls8 s VAL 135 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1ls8 n GLY 136 N 1.73 1.04 3.67 4.51 0.00 -1.26 -4.48 105.19 110.41 1ls8 n GLY 136 Ca -0.17 -1.50 0.08 0.00 0.00 0.00 0.00 46.02 44.42 1ls8 n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ls8 n GLU 137 N 0.31 -1.20 -3.98 1.61 1.02 -1.26 -4.83 120.64 112.30 1ls8 n GLU 137 Ca 0.00 0.79 -0.34 0.00 -0.02 0.00 0.00 57.16 57.59 1ls8 n GLU 137 Cb 0.00 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 29.81 1ls8 n GLU 137 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ls8 s ILE 138 N -1.06 2.69 0.00 -3.67 -1.09 -1.26 -5.02 121.20 111.79 1ls8 s ILE 138 Ca 0.00 -1.23 -0.05 0.00 -2.23 0.00 0.00 60.65 57.15 1ls8 s ILE 138 Cb 0.00 -2.43 -0.21 0.00 -1.58 0.00 0.00 42.46 38.24 1ls8 s ILE 138 CO 0.00 0.11 3.11 0.00 -1.23 0.00 0.00 174.94 176.93 1ls8 n LEU 139 N 4.60 4.72 -3.10 2.97 -0.00 -1.26 -4.72 117.00 120.21 1ls8 n LEU 139 Ca -0.16 -2.81 -0.03 0.00 -0.00 0.00 0.00 56.01 53.02 1ls8 n LEU 139 Cb 0.45 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.63 1ls8 n LEU 139 CO 0.25 1.40 0.27 0.00 -0.00 0.00 0.00 177.39 179.31 1ls8 n ALA 140 N 2.42 -2.57 0.00 1.47 0.00 -1.26 -4.99 120.51 115.58 1ls8 n ALA 140 Ca 0.34 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1ls8 n ALA 140 Cb 0.78 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1ls8 n ALA 140 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ls8 n GLU 141 N -1.68 0.00 -0.14 0.00 0.28 -1.26 -5.35 120.64 112.50 1ls8 n GLU 141 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.99 1ls8 n GLU 141 Cb 0.51 -0.39 0.00 0.00 1.43 0.00 0.00 31.44 32.99 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30