#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 0.10 -0.04 4.33 7.27 -1.26 -1.51 117.38 126.26 1ls8 n GLN 2 Ca 0.00 0.57 -0.09 0.00 0.07 0.00 0.00 57.00 57.55 1ls8 n GLN 2 Cb 0.00 -2.05 -0.03 0.00 2.41 0.00 0.00 30.24 30.57 1ls8 n GLN 2 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1ls8 n GLU 3 N -2.06 0.28 -0.31 3.69 2.13 -1.26 -4.49 120.64 118.61 1ls8 n GLU 3 Ca -0.01 0.12 0.15 0.00 0.66 0.00 0.00 57.16 58.08 1ls8 n GLU 3 Cb 0.26 -0.99 0.34 0.00 0.27 0.00 0.00 31.44 31.31 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 -0.51 0.42 0.77 6.31 2.07 -1.93 0.32 116.25 123.70 1ls8 h VAL 4 Ca -0.16 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1ls8 h VAL 4 Cb 0.87 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1ls8 h VAL 4 CO -0.10 0.07 -0.47 0.24 0.02 0.00 0.00 177.57 177.33 1ls8 h MET 5 N 0.36 -1.12 -0.84 1.57 2.86 -1.55 0.34 114.93 116.56 1ls8 h MET 5 Ca 0.59 0.08 0.13 0.00 -2.06 0.00 0.00 59.70 58.44 1ls8 h MET 5 Cb 1.18 0.25 -0.09 0.00 0.06 0.00 0.00 31.60 33.01 1ls8 h MET 5 CO -0.56 -0.74 0.44 -0.22 1.06 0.00 0.00 176.91 176.88 1ls8 h LYS 6 N -1.16 0.63 -0.18 1.72 3.64 -1.34 -2.62 116.57 117.27 1ls8 h LYS 6 Ca -0.10 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.19 1ls8 h LYS 6 Cb 0.93 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1ls8 h LYS 6 CO 0.10 0.42 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.60 1ls8 h ASN 7 N 0.65 0.27 0.00 4.20 -1.24 -0.14 -3.32 115.58 116.01 1ls8 h ASN 7 Ca 0.44 -0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.39 1ls8 h ASN 7 Cb 0.58 -0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.56 1ls8 h ASN 7 CO -0.34 0.44 0.00 0.18 -1.29 0.00 0.00 177.43 176.42 1ls8 n LEU 8 N -4.25 0.00 0.00 0.34 4.77 0.08 -4.78 117.00 113.17 1ls8 n LEU 8 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ls8 n LEU 8 Cb 0.28 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1ls8 n LEU 8 CO 0.38 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.24 1ls8 n SER 9 N 0.00 0.00 0.00 -1.43 7.64 -1.22 -4.84 113.62 113.77 1ls8 n SER 9 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ls8 n SER 9 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 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 0.00 0.00 -0.25 -3.43 4.32 -1.26 -1.93 117.00 114.45 1ls8 n LEU 10 Ca 0.00 0.66 0.06 0.00 -0.02 0.00 0.00 56.01 56.70 1ls8 n LEU 10 Cb 0.00 -0.16 0.30 0.00 -1.62 0.00 0.00 43.42 41.94 1ls8 n LEU 10 CO 0.00 -0.16 1.23 0.78 -1.22 0.00 0.00 177.39 178.03 1ls8 h ASN 11 N 0.00 0.79 -0.71 -1.43 2.35 -2.00 -2.24 115.58 112.34 1ls8 h ASN 11 Ca 0.00 0.01 0.14 0.00 -0.55 0.00 0.00 56.30 55.89 1ls8 h ASN 11 Cb 0.00 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 1ls8 h ASN 11 CO 0.00 0.50 0.47 0.15 -1.65 0.00 0.00 177.43 176.90 1ls8 h PHE 12 N 0.89 0.45 0.00 1.19 3.04 -1.77 -2.94 116.94 117.80 1ls8 h PHE 12 Ca 0.36 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.32 1ls8 h PHE 12 Cb 0.25 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1ls8 h PHE 12 CO -0.00 0.18 -0.41 0.41 -2.02 0.00 0.00 178.31 176.47 1ls8 n GLY 13 N -1.53 0.34 0.45 2.40 0.00 -1.20 -4.78 105.19 100.88 1ls8 n GLY 13 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.05 -0.18 1.61 3.64 -1.20 -2.86 116.57 116.54 1ls8 h LYS 14 Ca 0.00 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1ls8 h LYS 14 Cb 1.33 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 1ls8 h LYS 14 CO 0.00 -0.70 0.00 0.00 -2.27 0.00 0.00 179.45 176.48 1ls8 n ALA 15 N -2.62 1.72 0.00 5.00 0.00 -1.25 -3.59 120.51 119.77 1ls8 n ALA 15 Ca -0.13 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 1ls8 n ALA 15 Cb 0.44 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.86 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 0.30 -0.62 -1.15 0.00 5.85 -1.81 -0.44 115.31 117.43 1ls8 h LEU 16 Ca 0.00 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.92 1ls8 h LEU 16 Cb 0.09 0.28 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 1ls8 h LEU 16 CO 0.00 -0.25 0.59 -0.78 -0.34 0.00 0.00 178.44 177.66 1ls8 h ASP 17 N -0.26 0.85 -0.02 1.25 3.58 -1.82 0.38 116.42 120.39 1ls8 h ASP 17 Ca 0.10 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 1ls8 h ASP 17 Cb 0.40 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1ls8 h ASP 17 CO -0.27 0.50 -0.15 -0.33 -2.88 0.00 0.00 179.24 176.10 1ls8 h GLU 18 N 0.94 0.13 -0.49 0.28 4.39 -1.74 -1.53 114.58 116.56 1ls8 h GLU 18 Ca 0.42 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 60.00 1ls8 h GLU 18 Cb 0.38 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 1ls8 h GLU 18 CO -0.19 0.82 0.27 0.00 -1.16 0.00 0.00 179.01 178.76 1ls8 h LYS 20 N 0.67 0.66 -0.31 0.00 1.57 -0.17 -0.50 116.57 118.49 1ls8 h LYS 20 Ca 0.18 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1ls8 h LYS 20 Cb 0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1ls8 h LYS 20 CO -0.03 0.58 -0.20 -0.22 -0.57 0.00 0.00 179.45 179.02 1ls8 h LYS 21 N 0.58 0.68 -0.27 3.15 3.11 -0.70 0.13 116.57 123.24 1ls8 h LYS 21 Ca 0.15 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.68 1ls8 h LYS 21 Cb 0.16 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.37 1ls8 h LYS 21 CO -0.02 0.92 0.18 0.93 -2.81 0.00 0.00 179.45 178.65 1ls8 h GLU 22 N 0.43 0.36 -0.02 1.90 4.39 -0.51 -2.85 114.58 118.29 1ls8 h GLU 22 Ca 0.06 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1ls8 h GLU 22 Cb 0.74 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1ls8 h GLU 22 CO 0.05 0.25 -0.23 -1.33 -1.16 0.00 0.00 179.01 176.59 1ls8 n MET 23 N -4.89 1.39 -3.36 2.33 2.81 -0.22 -5.00 117.12 110.19 1ls8 n MET 23 Ca -0.02 -1.02 -0.26 0.00 -1.81 0.00 0.00 57.70 54.60 1ls8 n MET 23 Cb 0.03 -1.48 0.02 0.00 -0.71 0.00 0.00 33.22 31.08 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 0.08 -6.16 -4.25 2.03 -1.04 -0.28 -5.03 114.28 99.63 1ls8 n THR 24 Ca 0.13 0.24 -0.32 0.00 -2.04 0.00 0.00 64.05 62.06 1ls8 n THR 24 Cb 0.44 -4.67 -0.09 0.00 -1.82 0.00 0.00 70.33 64.19 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 -3.06 3.50 0.00 -4.42 1.43 0.29 -5.02 118.68 111.41 1ls8 s LEU 25 Ca 0.25 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1ls8 s LEU 25 Cb -0.04 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1ls8 s LEU 25 CO 0.84 0.25 0.00 0.35 0.23 0.00 0.00 176.35 178.03 1ls8 n THR 26 N 1.19 0.00 0.82 5.49 -2.24 -1.26 -4.72 114.28 113.56 1ls8 n THR 26 Ca -0.14 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.74 1ls8 n THR 26 Cb 0.52 -1.25 0.08 0.00 -2.10 0.00 0.00 70.33 67.58 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 0.00 2.60 0.23 3.42 2.03 -1.26 -4.33 116.55 119.24 1ls8 n ASP 27 Ca 0.00 -1.80 0.09 0.00 0.52 0.00 0.00 54.79 53.60 1ls8 n ASP 27 Cb 0.00 0.02 0.55 0.00 -0.72 0.00 0.00 41.12 40.97 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 3.83 1.22 0.00 -1.67 0.00 -2.01 0.03 119.26 120.66 1ls8 h ALA 28 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1ls8 h ALA 28 Cb 0.81 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ls8 h ALA 28 CO 0.00 0.27 -0.03 -0.84 0.00 0.00 0.00 179.25 178.66 1ls8 h ILE 29 N 0.00 0.13 0.00 0.00 3.07 -1.95 -0.13 117.51 118.63 1ls8 h ILE 29 Ca -0.00 -0.29 -0.05 0.00 1.55 0.00 0.00 64.86 66.06 1ls8 h ILE 29 Cb 0.54 1.25 -0.01 0.00 -0.27 0.00 0.00 36.82 38.34 1ls8 h ILE 29 CO 0.03 0.03 -0.25 -1.13 -1.05 0.00 0.00 178.15 175.77 1ls8 h ASN 30 N 0.00 0.00 0.00 2.16 -0.73 -1.28 -1.24 115.58 114.49 1ls8 h ASN 30 Ca -0.00 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 1ls8 h ASN 30 Cb 0.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.84 1ls8 h ASN 30 CO 0.00 0.25 -0.00 1.05 -0.37 0.00 0.00 177.43 178.37 1ls8 h GLU 31 N 0.00 -0.00 0.00 6.67 4.11 -1.52 -3.42 114.58 120.42 1ls8 h GLU 31 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ls8 h GLU 31 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1ls8 h GLU 31 CO 0.03 0.35 0.00 -0.25 0.07 0.00 0.00 179.01 179.22 1ls8 n ASP 32 N -4.72 0.39 0.23 3.06 9.92 -0.11 -1.36 116.55 123.96 1ls8 n ASP 32 Ca -0.04 0.59 0.16 0.00 -0.53 0.00 0.00 54.79 54.97 1ls8 n ASP 32 Cb 0.17 -0.68 0.67 0.00 -0.64 0.00 0.00 41.12 40.65 1ls8 n ASP 32 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1ls8 h PHE 33 N 0.00 0.00 -4.74 1.24 -1.00 -1.48 -3.47 116.94 107.50 1ls8 h PHE 33 Ca 0.00 0.00 -0.50 0.00 2.81 0.00 0.00 57.97 60.28 1ls8 h PHE 33 Cb 0.34 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.80 1ls8 h PHE 33 CO 0.00 0.00 -0.39 0.66 -1.61 0.00 0.00 178.31 176.97 1ls8 n TYR 34 N -2.76 0.60 -2.56 -0.55 4.01 -0.47 -4.84 117.16 110.60 1ls8 n TYR 34 Ca 0.01 -2.08 -0.20 0.00 -0.16 0.00 0.00 57.90 55.46 1ls8 n TYR 34 Cb 0.24 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 1ls8 n TYR 34 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1ls8 n ASN 35 N -1.40 -5.72 -0.27 7.72 5.15 -1.24 -4.89 115.26 114.60 1ls8 n ASN 35 Ca -0.12 -0.10 -0.02 0.00 -0.60 0.00 0.00 54.58 53.75 1ls8 n ASN 35 Cb 0.51 -4.69 0.10 0.00 -0.53 0.00 0.00 39.78 35.17 1ls8 n ASN 35 CO 0.00 0.00 0.00 -0.26 1.40 0.00 0.00 177.26 178.40 1ls8 h PHE 36 N -0.40 0.85 0.00 1.20 -1.00 -1.90 -3.45 116.94 112.24 1ls8 h PHE 36 Ca -0.48 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.33 1ls8 h PHE 36 Cb 1.35 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 40.63 1ls8 h PHE 36 CO 0.52 0.46 0.00 1.87 -1.61 0.00 0.00 178.31 179.55 1ls8 n TRP 37 N -4.67 0.00 -2.37 -0.55 -0.00 -1.26 -4.77 117.44 103.82 1ls8 n TRP 37 Ca 0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 57.50 57.24 1ls8 n TRP 37 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.42 1ls8 n TRP 37 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1ls8 s LYS 38 N 0.00 3.56 0.34 5.87 3.01 -1.26 -4.95 119.74 126.31 1ls8 s LYS 38 Ca 0.00 1.53 0.03 0.00 -1.01 0.00 0.00 55.97 56.52 1ls8 s LYS 38 Cb 0.00 -2.08 0.61 0.00 -1.01 0.00 0.00 37.83 35.35 1ls8 s LYS 38 CO 0.00 -0.66 1.91 0.93 0.51 0.00 0.00 175.35 178.04 1ls8 h GLU 39 N 1.42 0.63 0.00 1.68 5.08 -1.97 -3.34 114.58 118.08 1ls8 h GLU 39 Ca -0.50 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.76 1ls8 h GLU 39 Cb 1.25 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1ls8 h GLU 39 CO 0.58 0.56 0.00 0.41 -1.00 0.00 0.00 179.01 179.56 1ls8 n GLY 40 N -1.04 0.12 1.11 -3.84 0.00 -1.26 -3.34 105.19 96.94 1ls8 n GLY 40 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.26 -0.18 -2.61 1.61 9.36 -1.26 -4.86 117.16 118.97 1ls8 n TYR 41 Ca 0.00 0.08 -0.41 0.00 3.32 0.00 0.00 57.90 60.88 1ls8 n TYR 41 Cb 0.06 -0.19 -0.03 0.00 -0.63 0.00 0.00 39.34 38.54 1ls8 n TYR 41 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1ls8 s GLU 42 N -0.24 3.19 0.82 2.98 2.12 -1.26 -4.98 118.70 121.33 1ls8 s GLU 42 Ca 0.03 -0.39 -0.11 0.00 0.36 0.00 0.00 54.97 54.85 1ls8 s GLU 42 Cb -0.00 -4.22 0.09 0.00 0.26 0.00 0.00 34.13 30.25 1ls8 s GLU 42 CO 0.06 -2.08 1.14 0.42 -0.54 0.00 0.00 175.26 174.26 1ls8 s ILE 43 N 5.38 2.52 -0.05 -3.70 1.01 -1.26 -5.02 121.20 120.08 1ls8 s ILE 43 Ca 0.33 0.19 0.08 0.00 0.00 0.00 0.00 60.65 61.24 1ls8 s ILE 43 Cb -0.10 -2.48 -0.11 0.00 0.01 0.00 0.00 42.46 39.78 1ls8 s ILE 43 CO 0.13 -0.20 0.18 0.29 0.00 0.00 0.00 174.94 175.35 1ls8 n LYS 44 N -3.62 0.75 -0.98 2.79 5.02 -1.26 -5.00 118.16 115.85 1ls8 n LYS 44 Ca 0.11 -0.06 -0.34 0.00 -2.02 0.00 0.00 58.31 56.01 1ls8 n LYS 44 Cb 0.52 -1.14 0.12 0.00 -0.02 0.00 0.00 35.03 34.51 1ls8 n LYS 44 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ls8 n ASN 45 N -1.69 -0.60 0.00 4.39 4.13 -1.26 -4.97 115.26 115.26 1ls8 n ASN 45 Ca -0.01 0.48 0.00 0.00 1.68 0.00 0.00 54.58 56.73 1ls8 n ASN 45 Cb 0.19 -1.34 0.00 0.00 -1.54 0.00 0.00 39.78 37.09 1ls8 n ASN 45 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 1ls8 n ARG 46 N -2.29 2.99 0.10 3.52 1.85 -1.26 -4.73 116.66 116.83 1ls8 n ARG 46 Ca 0.10 0.00 0.17 0.00 -1.00 0.00 0.00 57.85 57.12 1ls8 n ARG 46 Cb 0.52 -0.95 0.70 0.00 -1.05 0.00 0.00 32.46 31.68 1ls8 n ARG 46 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1ls8 h GLU 47 N 0.00 0.00 0.63 2.89 3.07 -1.93 -1.63 114.58 117.62 1ls8 h GLU 47 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1ls8 h GLU 47 Cb 0.72 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.63 1ls8 h GLU 47 CO 0.00 0.00 -0.37 1.15 -1.40 0.00 0.00 179.01 178.39 1ls8 h THR 48 N 0.00 0.00 0.00 1.13 2.02 -1.95 0.93 112.91 115.04 1ls8 h THR 48 Ca 0.16 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.26 1ls8 h THR 48 Cb 0.69 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1ls8 h THR 48 CO -0.00 0.00 -0.37 1.23 0.37 0.00 0.00 175.52 176.75 1ls8 h GLY 49 N -0.93 0.00 1.03 2.16 0.00 -1.67 -0.18 103.07 103.48 1ls8 h GLY 49 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 1ls8 h GLY 49 CO 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.61 1ls8 h ALA 51 N 0.93 -0.23 -0.37 0.00 0.00 -0.30 -2.80 119.26 116.48 1ls8 h ALA 51 Ca 0.14 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1ls8 h ALA 51 Cb 0.57 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1ls8 h ALA 51 CO 0.03 -0.63 -0.42 0.82 0.00 0.00 0.00 179.25 179.04 1ls8 h ILE 52 N -0.24 0.12 -0.28 0.00 2.04 -0.73 0.04 117.51 118.47 1ls8 h ILE 52 Ca -0.02 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.73 1ls8 h ILE 52 Cb 0.19 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1ls8 h ILE 52 CO 0.03 0.00 -0.27 -0.03 0.00 0.00 0.00 178.15 177.88 1ls8 h MET 53 N -0.34 0.55 -0.36 2.37 4.05 -1.25 0.25 114.93 120.19 1ls8 h MET 53 Ca 0.13 -0.22 0.04 0.00 -0.28 0.00 0.00 59.70 59.37 1ls8 h MET 53 Cb 0.59 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.32 1ls8 h MET 53 CO -0.55 0.77 0.13 0.00 0.23 0.00 0.00 176.91 177.49 1ls8 h LEU 55 N 0.28 0.57 -0.44 0.00 3.38 -0.05 -0.09 115.31 118.97 1ls8 h LEU 55 Ca 0.16 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1ls8 h LEU 55 Cb 0.13 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1ls8 h LEU 55 CO -0.16 0.75 -0.67 0.28 0.09 0.00 0.00 178.44 178.73 1ls8 h SER 56 N 0.53 0.55 -0.38 -0.43 0.02 -0.58 -2.42 113.55 110.83 1ls8 h SER 56 Ca 0.09 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 60.73 1ls8 h SER 56 Cb 0.57 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1ls8 h SER 56 CO 0.04 1.06 0.22 0.74 -1.14 0.00 0.00 176.83 177.75 1ls8 h THR 57 N 0.34 1.03 -0.50 -2.27 2.02 -0.41 -1.62 112.91 111.50 1ls8 h THR 57 Ca -0.02 -0.15 0.02 0.00 0.77 0.00 0.00 66.41 67.03 1ls8 h THR 57 Cb 1.23 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1ls8 h THR 57 CO 0.12 0.08 0.33 0.50 0.37 0.00 0.00 175.52 176.92 1ls8 h LYS 58 N 0.44 0.59 -0.00 6.66 1.63 -0.68 0.55 116.57 125.76 1ls8 h LYS 58 Ca 0.15 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1ls8 h LYS 58 Cb 0.02 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1ls8 h LYS 58 CO -0.08 0.39 -0.05 1.28 -3.45 0.00 0.00 179.45 177.54 1ls8 n LEU 59 N -4.47 0.08 -2.46 5.20 4.77 -0.94 -4.93 117.00 114.24 1ls8 n LEU 59 Ca 0.05 0.36 -0.08 0.00 -0.03 0.00 0.00 56.01 56.31 1ls8 n LEU 59 Cb 0.10 -0.39 -0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1ls8 n LEU 59 CO 0.35 0.02 -0.11 0.59 -1.33 0.00 0.00 177.39 176.91 1ls8 n ASN 60 N -1.40 -2.96 0.22 -1.43 3.02 0.18 -4.86 115.26 108.03 1ls8 n ASN 60 Ca 0.09 0.29 0.14 0.00 -0.03 0.00 0.00 54.58 55.07 1ls8 n ASN 60 Cb 0.31 -2.57 0.34 0.00 -0.61 0.00 0.00 39.78 37.25 1ls8 n ASN 60 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ls8 h MET 61 N 0.00 0.00 -7.49 3.52 -0.00 -1.69 -3.45 114.93 105.81 1ls8 h MET 61 Ca -0.20 0.00 -0.47 0.00 -0.00 0.00 0.00 59.70 59.03 1ls8 h MET 61 Cb 1.15 0.00 0.09 0.00 -0.00 0.00 0.00 31.60 32.83 1ls8 h MET 61 CO 0.23 0.00 0.37 -0.51 -0.00 0.00 0.00 176.91 177.00 1ls8 s LEU 62 N -5.99 2.72 0.83 -0.10 1.43 -1.26 -3.09 118.68 113.22 1ls8 s LEU 62 Ca 0.06 0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 53.88 1ls8 s LEU 62 Cb 0.07 -3.46 0.09 0.00 0.03 0.00 0.00 46.19 42.92 1ls8 s LEU 62 CO 0.62 -1.63 1.09 -1.81 0.23 0.00 0.00 176.35 174.85 1ls8 s ASP 63 N -4.48 4.00 0.00 2.29 1.01 0.63 -4.59 116.67 115.53 1ls8 s ASP 63 Ca 0.60 1.74 0.05 0.00 0.71 0.00 0.00 52.55 55.64 1ls8 s ASP 63 Cb -0.11 -2.41 0.21 0.00 1.01 0.00 0.00 42.92 41.62 1ls8 s ASP 63 CO 0.49 -2.34 1.11 -2.65 0.21 0.00 0.00 175.17 171.99 1ls8 n PRO 64 N -3.71 0.02 0.03 8.23 -0.02 -1.26 -1.69 135.00 136.60 1ls8 n PRO 64 Ca 0.08 0.37 0.11 0.00 -2.02 0.00 0.00 63.50 62.05 1ls8 n PRO 64 Cb 0.54 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.45 1ls8 n PRO 64 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ls8 n GLU 65 N -1.44 0.50 0.00 -0.52 -0.58 -1.26 -4.98 120.64 112.36 1ls8 n GLU 65 Ca 0.01 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1ls8 n GLU 65 Cb 0.05 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.29 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 1.28 0.30 3.73 0.62 0.00 -0.68 -5.09 105.19 105.35 1ls8 n GLY 66 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1ls8 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ls8 n ASN 67 N 0.00 2.34 -4.77 1.61 3.02 -1.26 -4.76 115.26 111.45 1ls8 n ASN 67 Ca 0.00 0.90 -0.40 0.00 -0.03 0.00 0.00 54.58 55.05 1ls8 n ASN 67 Cb 0.00 -1.56 -0.01 0.00 -0.61 0.00 0.00 39.78 37.59 1ls8 n ASN 67 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1ls8 s LEU 68 N -3.87 4.33 0.00 3.41 2.96 -1.26 -0.27 118.68 123.99 1ls8 s LEU 68 Ca 0.77 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 57.35 1ls8 s LEU 68 Cb -0.40 -3.77 0.00 0.00 0.50 0.00 0.00 46.19 42.52 1ls8 s LEU 68 CO 0.45 -0.67 0.00 1.57 -1.32 0.00 0.00 176.35 176.37 1ls8 n HIS 69 N 0.49 -0.25 0.00 5.38 -0.00 -1.22 -4.59 115.22 115.04 1ls8 n HIS 69 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 1ls8 n HIS 69 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.42 1ls8 n HIS 69 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1ls8 n HIS 70 N -0.23 0.00 0.25 1.57 -0.00 -1.26 -4.80 115.22 110.75 1ls8 n HIS 70 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.81 1ls8 n HIS 70 Cb 0.00 0.00 0.63 0.00 -0.00 0.00 0.00 29.99 30.62 1ls8 n HIS 70 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.34 177.12 1ls8 h GLY 71 N 0.00 0.00 0.62 -1.41 0.00 -1.98 0.02 103.07 100.32 1ls8 h GLY 71 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1ls8 h GLY 71 CO 0.00 0.00 -0.20 3.43 0.00 0.00 0.00 176.54 179.77 1ls8 h ASN 72 N 0.00 -0.48 0.45 0.19 4.21 -1.90 -2.51 115.58 115.53 1ls8 h ASN 72 Ca -0.00 -0.11 -0.05 0.00 1.21 0.00 0.00 56.30 57.35 1ls8 h ASN 72 Cb 0.19 0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 1ls8 h ASN 72 CO 0.01 -0.09 -0.23 0.00 -1.29 0.00 0.00 177.43 175.83 1ls8 h ALA 73 N -0.63 1.30 -0.36 -0.83 0.00 -1.36 -2.28 119.26 115.10 1ls8 h ALA 73 Ca -0.06 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.67 1ls8 h ALA 73 Cb 0.56 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1ls8 h ALA 73 CO 0.10 0.29 0.17 1.98 0.00 0.00 0.00 179.25 181.78 1ls8 h MET 74 N 0.00 0.33 0.00 0.00 -1.53 -1.00 -2.80 114.93 109.94 1ls8 h MET 74 Ca -0.00 -0.02 -0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1ls8 h MET 74 Cb 0.52 -0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.49 1ls8 h MET 74 CO 0.03 0.22 -0.01 0.93 0.14 0.00 0.00 176.91 178.22 1ls8 h GLU 75 N 0.34 0.00 -0.10 0.39 5.08 -0.94 0.74 114.58 120.09 1ls8 h GLU 75 Ca 0.15 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.35 1ls8 h GLU 75 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1ls8 h GLU 75 CO -0.12 0.01 -0.63 0.35 -1.00 0.00 0.00 179.01 177.62 1ls8 h PHE 76 N 0.00 0.47 0.12 4.33 3.57 -1.54 -3.19 116.94 120.70 1ls8 h PHE 76 Ca -0.00 -0.18 -0.31 0.00 3.53 0.00 0.00 57.97 61.01 1ls8 h PHE 76 Cb 0.02 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1ls8 h PHE 76 CO 0.00 0.89 -1.55 0.00 -2.23 0.00 0.00 178.31 175.42 1ls8 h ALA 77 N 1.06 0.26 -0.05 2.41 0.00 -0.90 -3.25 119.26 118.80 1ls8 h ALA 77 Ca -0.01 -1.11 0.01 0.00 0.00 0.00 0.00 54.91 53.80 1ls8 h ALA 77 Cb 1.16 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1ls8 h ALA 77 CO 0.11 1.13 0.16 1.57 0.00 0.00 0.00 179.25 182.22 1ls8 h LYS 78 N 0.07 0.00 0.00 0.00 5.09 -1.04 -2.08 116.57 118.61 1ls8 h LYS 78 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.49 1ls8 h LYS 78 Cb 2.02 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.35 1ls8 h LYS 78 CO 0.16 0.00 0.00 1.17 -2.09 0.00 0.00 179.45 178.69 1ls8 n LYS 79 N -3.21 0.00 0.13 0.07 4.81 -1.20 -1.76 118.16 116.98 1ls8 n LYS 79 Ca -0.01 0.75 0.13 0.00 -0.87 0.00 0.00 58.31 58.30 1ls8 n LYS 79 Cb 0.24 -1.50 0.44 0.00 0.02 0.00 0.00 35.03 34.23 1ls8 n LYS 79 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1ls8 h HIS 80 N 0.00 0.00 0.00 5.64 3.86 -1.76 -3.47 115.15 119.42 1ls8 h HIS 80 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1ls8 h HIS 80 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1ls8 h HIS 80 CO -0.36 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.84 1ls8 n GLY 81 N 0.71 0.80 3.65 2.45 0.00 -0.73 -5.04 105.19 107.03 1ls8 n GLY 81 Ca 0.04 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.59 1.07 0.52 4.61 0.00 -0.84 -4.87 121.76 120.66 1ls8 s ALA 82 Ca 0.00 0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.97 1ls8 s ALA 82 Cb 0.00 -3.30 -0.07 0.00 0.00 0.00 0.00 23.12 19.74 1ls8 s ALA 82 CO 0.00 -2.82 1.00 0.16 0.00 0.00 0.00 175.76 174.10 1ls8 s ASP 83 N -2.93 6.46 0.09 0.00 1.47 -1.26 -4.86 116.67 115.64 1ls8 s ASP 83 Ca 0.66 1.66 -0.13 0.00 1.18 0.00 0.00 52.55 55.91 1ls8 s ASP 83 Cb -0.21 -2.52 -0.20 0.00 -0.34 0.00 0.00 42.92 39.65 1ls8 s ASP 83 CO 0.59 -0.70 1.24 1.05 0.68 0.00 0.00 175.17 178.03 1ls8 h GLU 84 N 0.95 0.74 0.11 2.11 9.09 -1.98 -1.19 114.58 124.40 1ls8 h GLU 84 Ca -0.47 -0.71 -0.21 0.00 0.05 0.00 0.00 59.36 58.02 1ls8 h GLU 84 Cb 1.19 0.18 0.02 0.00 -1.65 0.00 0.00 28.75 28.50 1ls8 h GLU 84 CO 0.60 1.30 -0.88 1.15 0.05 0.00 0.00 179.01 181.23 1ls8 h THR 85 N 0.45 1.43 -0.23 -1.06 2.02 -1.98 -2.31 112.91 111.25 1ls8 h THR 85 Ca -0.10 -2.40 -0.01 0.00 0.77 0.00 0.00 66.41 64.67 1ls8 h THR 85 Cb 1.58 2.93 -0.01 0.00 -1.74 0.00 0.00 68.15 70.91 1ls8 h THR 85 CO 0.19 0.70 0.10 -0.03 0.37 0.00 0.00 175.52 176.85 1ls8 h MET 86 N -0.15 0.33 -0.59 6.66 -1.53 -1.97 0.30 114.93 117.98 1ls8 h MET 86 Ca -0.14 -0.05 0.03 0.00 -3.44 0.00 0.00 59.70 56.10 1ls8 h MET 86 Cb 1.64 -0.06 -0.04 0.00 -0.55 0.00 0.00 31.60 32.59 1ls8 h MET 86 CO 0.17 0.36 0.36 0.00 0.14 0.00 0.00 176.91 177.93 1ls8 h ALA 87 N 0.96 0.77 -0.08 0.39 0.00 -1.31 -2.55 119.26 117.43 1ls8 h ALA 87 Ca 0.08 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1ls8 h ALA 87 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ls8 h ALA 87 CO -0.01 0.09 -0.72 0.37 0.00 0.00 0.00 179.25 178.98 1ls8 h GLN 88 N 0.71 0.40 -0.27 0.00 -0.00 -1.00 -3.00 115.11 111.94 1ls8 h GLN 88 Ca 0.24 -0.32 0.05 0.00 -0.00 0.00 0.00 58.65 58.62 1ls8 h GLN 88 Cb 0.03 0.07 -0.05 0.00 0.00 0.00 0.00 27.48 27.53 1ls8 h GLN 88 CO -0.11 0.96 -0.05 1.96 0.00 0.00 0.00 178.83 181.60 1ls8 h GLN 89 N 0.27 0.02 0.00 1.69 4.20 -0.13 0.15 115.11 121.32 1ls8 h GLN 89 Ca -0.03 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1ls8 h GLN 89 Cb 1.29 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1ls8 h GLN 89 CO 0.12 0.02 0.00 -0.07 -0.67 0.00 0.00 178.83 178.23 1ls8 h LEU 90 N 0.02 0.00 0.12 1.46 4.07 -1.42 0.22 115.31 119.79 1ls8 h LEU 90 Ca 0.13 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.90 1ls8 h LEU 90 Cb 0.19 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.95 1ls8 h LEU 90 CO -0.26 0.00 -0.87 0.40 -1.08 0.00 0.00 178.44 176.63 1ls8 h ILE 91 N 0.00 1.44 0.10 1.22 2.04 -1.06 -3.23 117.51 118.02 1ls8 h ILE 91 Ca 0.00 -2.49 0.01 0.00 1.00 0.00 0.00 64.86 63.37 1ls8 h ILE 91 Cb 0.32 3.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.50 1ls8 h ILE 91 CO 0.00 0.70 -0.12 -0.78 0.00 0.00 0.00 178.15 177.95 1ls8 h ASP 92 N -0.42 -0.32 -0.46 1.72 1.82 -0.09 -2.94 116.42 115.73 1ls8 h ASP 92 Ca -0.16 0.03 0.09 0.00 -0.39 0.00 0.00 57.03 56.60 1ls8 h ASP 92 Cb 1.61 0.12 -0.09 0.00 0.68 0.00 0.00 39.33 41.64 1ls8 h ASP 92 CO 0.12 -0.18 -0.17 0.40 -1.61 0.00 0.00 179.24 177.79 1ls8 h ILE 93 N -0.26 0.44 -0.56 2.25 2.04 -0.74 0.80 117.51 121.48 1ls8 h ILE 93 Ca 0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1ls8 h ILE 93 Cb 0.25 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1ls8 h ILE 93 CO -0.04 0.00 0.24 0.58 0.00 0.00 0.00 178.15 178.92 1ls8 h VAL 94 N -0.07 1.22 -0.34 1.67 2.07 -1.56 0.81 116.25 120.05 1ls8 h VAL 94 Ca 0.22 -0.66 0.05 0.00 0.82 0.00 0.00 66.70 67.13 1ls8 h VAL 94 Cb 0.41 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1ls8 h VAL 94 CO -0.51 0.26 0.07 -0.74 0.02 0.00 0.00 177.57 176.66 1ls8 h HIS 95 N 0.76 0.11 -0.61 1.57 6.17 -1.02 0.18 115.15 122.31 1ls8 h HIS 95 Ca 0.19 0.02 -0.03 0.00 0.71 0.00 0.00 60.37 61.25 1ls8 h HIS 95 Cb 0.18 0.00 -0.03 0.00 2.52 0.00 0.00 27.41 30.08 1ls8 h HIS 95 CO 0.00 0.02 0.25 0.78 0.71 0.00 0.00 177.93 179.69 1ls8 h GLY 96 N 0.18 0.98 1.49 5.26 0.00 -0.52 -0.84 103.07 109.61 1ls8 h GLY 96 Ca 0.16 -0.53 -0.17 0.00 0.00 0.00 0.00 47.33 46.79 1ls8 h GLY 96 CO -0.21 0.50 -0.59 0.00 0.00 0.00 0.00 176.54 176.24 1ls8 h GLU 98 N 0.40 0.00 -0.04 0.00 5.08 -0.58 0.15 114.58 119.59 1ls8 h GLU 98 Ca -0.00 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ls8 h GLU 98 Cb 1.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ls8 h GLU 98 CO 0.11 0.47 0.00 -0.22 -1.00 0.00 0.00 179.01 178.37 1ls8 h LYS 99 N 0.00 0.08 -0.30 2.33 3.11 -0.87 -3.23 116.57 117.69 1ls8 h LYS 99 Ca -0.00 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.81 1ls8 h LYS 99 Cb 0.84 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.04 1ls8 h LYS 99 CO 0.06 0.36 0.18 1.03 -2.81 0.00 0.00 179.45 178.26 1ls8 h SER 100 N -0.21 0.37 -2.71 4.20 0.87 -1.06 -3.41 113.55 111.61 1ls8 h SER 100 Ca 0.01 -0.06 -0.56 0.00 -1.23 0.00 0.00 61.79 59.95 1ls8 h SER 100 Cb 0.32 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 1ls8 h SER 100 CO 0.00 0.33 1.09 -0.89 -0.53 0.00 0.00 176.83 176.82 1ls8 s THR 101 N -5.95 3.72 0.00 2.23 2.01 0.51 -4.98 115.64 113.18 1ls8 s THR 101 Ca -0.13 0.84 0.00 0.00 0.31 0.00 0.00 61.69 62.71 1ls8 s THR 101 Cb 0.09 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1ls8 s THR 101 CO 0.72 -0.17 0.00 -0.81 -0.69 0.00 0.00 174.62 173.66 1ls8 n PRO 102 N 7.32 0.00 -4.00 4.92 -0.04 -1.26 -4.79 135.00 137.14 1ls8 n PRO 102 Ca 0.18 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1ls8 n PRO 102 Cb 0.44 -0.03 -0.03 0.00 -0.04 0.00 0.00 33.50 33.83 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 -3.70 0.09 0.33 0.55 0.00 -1.26 -5.07 121.76 112.69 1ls8 s ALA 103 Ca 0.00 -1.12 0.04 0.00 0.00 0.00 0.00 51.96 50.88 1ls8 s ALA 103 Cb 0.00 1.04 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 1ls8 s ALA 103 CO 0.00 -0.85 0.35 -1.71 0.00 0.00 0.00 175.76 173.55 1ls8 n ASN 104 N -0.98 -0.93 -1.96 0.00 2.85 -1.26 -5.03 115.26 107.94 1ls8 n ASN 104 Ca -0.02 -2.99 -0.14 0.00 -0.11 0.00 0.00 54.58 51.33 1ls8 n ASN 104 Cb 0.61 1.94 0.23 0.00 1.24 0.00 0.00 39.78 43.81 1ls8 n ASN 104 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1ls8 n ASP 105 N -1.70 4.01 -3.30 1.20 2.03 -1.26 -4.73 116.55 112.80 1ls8 n ASP 105 Ca 0.05 -3.47 -0.07 0.00 0.52 0.00 0.00 54.79 51.82 1ls8 n ASP 105 Cb 0.57 -0.77 -0.06 0.00 -0.72 0.00 0.00 41.12 40.15 1ls8 n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1ls8 s ASP 106 N -1.38 0.04 0.00 1.67 -1.08 -1.26 -5.02 116.67 109.64 1ls8 s ASP 106 Ca 0.54 -0.01 0.11 0.00 -0.52 0.00 0.00 52.55 52.67 1ls8 s ASP 106 Cb 0.45 1.27 0.53 0.00 -1.46 0.00 0.00 42.92 43.71 1ls8 s ASP 106 CO 0.10 -0.32 1.32 1.17 0.52 0.00 0.00 175.17 177.96 1ls8 n LYS 107 N 5.37 0.08 0.02 4.34 4.81 -1.26 -1.55 118.16 129.96 1ls8 n LYS 107 Ca -0.01 0.25 -0.08 0.00 -0.87 0.00 0.00 58.31 57.60 1ls8 n LYS 107 Cb 0.50 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.99 1ls8 n LYS 107 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ls8 h ILE 109 N -0.97 1.07 -0.24 0.00 5.03 -1.67 -1.44 117.51 119.30 1ls8 h ILE 109 Ca -0.02 -0.23 0.06 0.00 -0.12 0.00 0.00 64.86 64.55 1ls8 h ILE 109 Cb 0.44 0.88 -0.07 0.00 -3.03 0.00 0.00 36.82 35.05 1ls8 h ILE 109 CO 0.03 0.09 -0.20 -0.25 -0.68 0.00 0.00 178.15 177.13 1ls8 h TRP 110 N 0.23 -0.53 -0.02 1.37 7.01 -1.39 0.12 115.95 122.75 1ls8 h TRP 110 Ca 0.06 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.11 1ls8 h TRP 110 Cb 0.06 0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.37 1ls8 h TRP 110 CO 0.00 -0.28 -0.08 1.15 -2.79 0.00 0.00 178.44 176.44 1ls8 h THR 111 N -0.20 0.80 -0.86 2.65 2.02 -1.29 -2.22 112.91 113.81 1ls8 h THR 111 Ca 0.14 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.50 1ls8 h THR 111 Cb 0.41 0.80 -0.11 0.00 -1.74 0.00 0.00 68.15 67.51 1ls8 h THR 111 CO -0.36 0.00 0.39 -0.07 0.37 0.00 0.00 175.52 175.85 1ls8 h LEU 112 N -0.13 0.37 -0.45 2.58 4.07 -1.01 0.26 115.31 121.00 1ls8 h LEU 112 Ca 0.04 0.13 0.09 0.00 0.08 0.00 0.00 57.88 58.22 1ls8 h LEU 112 Cb 0.17 0.09 -0.10 0.00 1.08 0.00 0.00 40.66 41.91 1ls8 h LEU 112 CO -0.09 0.08 -0.26 1.23 -1.08 0.00 0.00 178.44 178.32 1ls8 h GLY 113 N 0.47 -0.01 0.77 0.83 0.00 -0.13 0.25 103.07 105.25 1ls8 h GLY 113 Ca 0.50 0.33 -0.01 0.00 0.00 0.00 0.00 47.33 48.15 1ls8 h GLY 113 CO -0.46 -0.21 0.01 -2.08 0.00 0.00 0.00 176.54 173.80 1ls8 h VAL 114 N -0.16 1.23 0.00 4.60 2.07 -1.10 -3.12 116.25 119.77 1ls8 h VAL 114 Ca 0.21 -0.73 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1ls8 h VAL 114 Cb 0.49 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1ls8 h VAL 114 CO -0.55 0.21 -0.33 0.00 0.02 0.00 0.00 177.57 176.91 1ls8 h ALA 115 N 0.76 1.03 0.01 1.67 0.00 0.13 -1.18 119.26 121.69 1ls8 h ALA 115 Ca 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ls8 h ALA 115 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ls8 h ALA 115 CO 0.00 0.42 -0.01 1.15 0.00 0.00 0.00 179.25 180.81 1ls8 h THR 116 N 0.00 1.50 -0.99 0.00 2.02 -0.62 -3.24 112.91 111.59 1ls8 h THR 116 Ca -0.00 -1.93 0.19 0.00 0.77 0.00 0.00 66.41 65.44 1ls8 h THR 116 Cb 0.83 2.75 -0.10 0.00 -1.74 0.00 0.00 68.15 69.90 1ls8 h THR 116 CO 0.04 0.47 0.61 0.00 0.37 0.00 0.00 175.52 177.02 1ls8 h PHE 118 N 0.69 -0.34 -0.32 0.00 3.57 -1.27 -0.72 116.94 118.55 1ls8 h PHE 118 Ca 0.56 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.95 1ls8 h PHE 118 Cb 0.96 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 1ls8 h PHE 118 CO -0.00 -0.21 -0.35 0.87 -2.23 0.00 0.00 178.31 176.39 1ls8 h LYS 119 N -0.10 0.72 -0.37 1.11 6.56 -1.14 -1.82 116.57 121.52 1ls8 h LYS 119 Ca 0.15 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 59.40 1ls8 h LYS 119 Cb 0.33 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.97 1ls8 h LYS 119 CO -0.35 0.95 0.24 0.00 -2.06 0.00 0.00 179.45 178.23 1ls8 h ALA 120 N 1.01 0.47 -0.34 3.86 0.00 -0.95 -0.30 119.26 123.01 1ls8 h ALA 120 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ls8 h ALA 120 Cb 0.87 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1ls8 h ALA 120 CO 0.08 -0.06 0.22 0.93 0.00 0.00 0.00 179.25 180.42 1ls8 h GLU 121 N 0.50 0.45 -0.17 0.00 4.39 -1.04 -1.34 114.58 117.37 1ls8 h GLU 121 Ca 0.13 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.86 1ls8 h GLU 121 Cb -0.04 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1ls8 h GLU 121 CO -0.03 0.30 0.12 0.82 -1.16 0.00 0.00 179.01 179.07 1ls8 h ILE 122 N 0.46 0.91 0.09 3.13 1.08 -0.78 -0.11 117.51 122.28 1ls8 h ILE 122 Ca 0.12 0.00 -0.12 0.00 -0.39 0.00 0.00 64.86 64.47 1ls8 h ILE 122 Cb -0.05 0.91 0.01 0.00 -3.07 0.00 0.00 36.82 34.63 1ls8 h ILE 122 CO -0.03 0.00 -0.54 0.45 -0.69 0.00 0.00 178.15 177.35 1ls8 h HIS 123 N 0.00 0.35 0.00 1.37 3.86 -0.28 -0.54 115.15 119.90 1ls8 h HIS 123 Ca 0.08 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1ls8 h HIS 123 Cb 0.33 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1ls8 h HIS 123 CO 0.00 1.21 0.00 1.57 0.86 0.00 0.00 177.93 181.57 1ls8 h LYS 124 N -0.60 0.00 0.00 2.45 5.09 -1.14 0.29 116.57 122.66 1ls8 h LYS 124 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.64 1ls8 h LYS 124 Cb 1.42 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.75 1ls8 h LYS 124 CO 0.09 0.00 0.00 1.28 -2.09 0.00 0.00 179.45 178.73 1ls8 n LEU 125 N -2.80 0.15 -1.69 7.07 4.77 -0.07 -4.92 117.00 119.52 1ls8 n LEU 125 Ca 0.02 0.53 -0.20 0.00 -0.03 0.00 0.00 56.01 56.32 1ls8 n LEU 125 Cb 0.32 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1ls8 n LEU 125 CO 0.26 -0.24 -0.20 -3.20 -1.33 0.00 0.00 177.39 172.68 1ls8 n ASN 126 N -1.66 -5.50 -1.85 -1.43 5.15 0.09 -4.90 115.26 105.16 1ls8 n ASN 126 Ca 0.04 0.41 -0.16 0.00 -0.60 0.00 0.00 54.58 54.26 1ls8 n ASN 126 Cb 0.23 -4.73 0.05 0.00 -0.53 0.00 0.00 39.78 34.81 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 -2.70 1.61 -3.35 1.20 8.01 -0.24 -4.56 117.44 117.42 1ls8 n TRP 127 Ca -0.21 -1.85 -0.24 0.00 -1.31 0.00 0.00 57.50 53.90 1ls8 n TRP 127 Cb 0.67 -0.90 -0.09 0.00 -2.01 0.00 0.00 31.31 28.97 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 -1.87 0.64 0.83 6.99 0.00 -1.26 -4.92 121.76 122.17 1ls8 s ALA 128 Ca 0.32 -1.86 -0.12 0.00 0.00 0.00 0.00 51.96 50.30 1ls8 s ALA 128 Cb 0.25 -1.77 0.09 0.00 0.00 0.00 0.00 23.12 21.69 1ls8 s ALA 128 CO 0.01 -2.06 1.18 -1.25 0.00 0.00 0.00 175.76 173.64 1ls8 s PRO 129 N 0.64 1.79 0.19 0.00 0.04 -1.26 -4.98 135.00 131.42 1ls8 s PRO 129 Ca 0.26 0.10 -0.17 0.00 0.04 0.00 0.00 61.00 61.23 1ls8 s PRO 129 Cb -0.07 -1.93 0.17 0.00 0.04 0.00 0.00 34.50 32.70 1ls8 s PRO 129 CO -0.10 -1.71 1.62 0.77 0.04 0.00 0.00 177.00 177.61 1ls8 h SER 130 N -1.14 -0.78 0.58 6.66 0.02 -2.01 -1.41 113.55 115.47 1ls8 h SER 130 Ca -0.46 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1ls8 h SER 130 Cb 1.33 0.44 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1ls8 h SER 130 CO 0.64 -0.25 0.00 0.24 -1.14 0.00 0.00 176.83 176.32 1ls8 h MET 131 N -0.09 0.00 -3.68 3.45 2.86 -1.95 -3.32 114.93 112.20 1ls8 h MET 131 Ca 0.25 0.00 -0.76 0.00 -2.06 0.00 0.00 59.70 57.13 1ls8 h MET 131 Cb 0.48 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 31.98 1ls8 h MET 131 CO -0.61 0.00 1.81 -3.47 1.06 0.00 0.00 176.91 175.70 1ls8 n ASP 132 N -3.02 5.21 0.00 1.22 -0.08 -0.53 -4.37 116.55 114.97 1ls8 n ASP 132 Ca -0.01 -3.11 0.04 0.00 -1.51 0.00 0.00 54.79 50.21 1ls8 n ASP 132 Cb 0.20 -1.48 0.26 0.00 2.34 0.00 0.00 41.12 42.45 1ls8 n ASP 132 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1ls8 n VAL 133 N 3.40 0.00 -1.17 5.18 0.24 -1.25 -4.72 118.33 120.01 1ls8 n VAL 133 Ca 0.38 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.68 1ls8 n VAL 133 Cb 0.37 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.04 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 -0.89 -2.37 -1.18 2.33 0.00 -1.26 -3.69 120.51 113.44 1ls8 n ALA 134 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.44 1ls8 n ALA 134 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 1ls8 n ALA 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ls8 n VAL 135 N 0.23 0.00 -4.37 0.00 0.31 -1.26 -4.71 118.33 108.53 1ls8 n VAL 135 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 1ls8 n VAL 135 Cb 0.00 -1.01 -0.04 0.00 -0.91 0.00 0.00 33.84 31.88 1ls8 n VAL 135 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ls8 n GLY 136 N -0.94 3.41 0.00 2.92 0.00 -1.26 -4.93 105.19 104.39 1ls8 n GLY 136 Ca -0.06 -2.32 0.00 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.19 0.67 0.00 1.61 0.28 -1.26 -4.58 120.64 116.16 1ls8 n GLU 137 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 1ls8 n GLU 137 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 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 0.00 -1.64 3.84 2.08 -1.26 -4.86 119.36 117.52 1ls8 n ILE 138 Ca 0.00 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.27 1ls8 n ILE 138 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 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 0.00 -1.21 -3.87 1.39 0.00 -1.26 -4.94 117.00 107.10 1ls8 n LEU 139 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 56.01 55.99 1ls8 n LEU 139 Cb 0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 43.42 42.74 1ls8 n LEU 139 CO 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 177.39 176.88 1ls8 s ALA 140 N -0.43 -0.30 -1.19 1.96 0.00 -1.26 -4.96 121.76 115.58 1ls8 s ALA 140 Ca 0.04 -0.28 -0.31 0.00 0.00 0.00 0.00 51.96 51.42 1ls8 s ALA 140 Cb -0.00 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.36 1ls8 s ALA 140 CO 0.10 -0.30 0.72 -0.85 0.00 0.00 0.00 175.76 175.43 1ls8 n GLU 141 N 0.95 -0.55 0.00 0.00 0.28 -1.26 -5.28 120.64 114.78 1ls8 n GLU 141 Ca -0.20 0.20 0.04 0.00 -0.16 0.00 0.00 57.16 57.04 1ls8 n GLU 141 Cb 0.58 -3.02 0.03 0.00 1.43 0.00 0.00 31.44 30.46 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30