#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 0.34 -0.00 4.33 6.02 -1.26 -3.88 117.38 122.93 1ls8 n GLN 2 Ca 0.00 0.02 -0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1ls8 n GLN 2 Cb 0.00 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.76 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 -1.32 0.01 -0.34 -1.09 2.13 -1.26 -4.48 120.64 114.29 1ls8 n GLU 3 Ca 0.12 0.00 0.22 0.00 0.66 0.00 0.00 57.16 58.17 1ls8 n GLU 3 Cb 0.24 -0.31 0.47 0.00 0.27 0.00 0.00 31.44 32.10 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 -0.01 0.47 0.02 6.31 2.07 -1.90 0.19 116.25 123.39 1ls8 h VAL 4 Ca 0.00 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1ls8 h VAL 4 Cb 0.01 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 1ls8 h VAL 4 CO 0.00 0.08 -0.01 0.24 0.02 0.00 0.00 177.57 177.90 1ls8 h MET 5 N 0.44 -0.03 -0.69 1.57 2.86 -1.86 0.74 114.93 117.95 1ls8 h MET 5 Ca 0.65 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 58.44 1ls8 h MET 5 Cb 1.50 0.01 -0.11 0.00 0.06 0.00 0.00 31.60 33.06 1ls8 h MET 5 CO -0.42 0.46 0.09 -0.22 1.06 0.00 0.00 176.91 177.88 1ls8 h LYS 6 N -0.54 0.19 -0.24 1.72 3.64 -1.45 -3.06 116.57 116.82 1ls8 h LYS 6 Ca -0.00 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 1ls8 h LYS 6 Cb 0.51 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1ls8 h LYS 6 CO 0.01 0.12 -0.50 -0.97 -2.27 0.00 0.00 179.45 175.84 1ls8 h ASN 7 N 0.19 0.73 0.01 4.20 -1.24 -0.29 -2.77 115.58 116.42 1ls8 h ASN 7 Ca 0.38 -0.37 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1ls8 h ASN 7 Cb 0.63 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1ls8 h ASN 7 CO -0.53 1.10 0.00 0.18 -1.29 0.00 0.00 177.43 176.89 1ls8 n LEU 8 N -4.00 0.00 -1.39 0.34 4.77 0.22 -3.91 117.00 113.03 1ls8 n LEU 8 Ca -0.03 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1ls8 n LEU 8 Cb 0.58 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1ls8 n LEU 8 CO 0.47 -0.28 0.78 -1.20 -1.33 0.00 0.00 177.39 175.83 1ls8 n SER 9 N -1.29 4.25 0.00 -1.43 7.64 -1.05 -4.54 113.62 117.20 1ls8 n SER 9 Ca 0.00 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.74 1ls8 n SER 9 Cb 0.01 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 1ls8 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ls8 n LEU 10 N 1.27 0.03 -0.66 -3.43 -0.00 -1.25 -4.25 117.00 108.70 1ls8 n LEU 10 Ca 0.00 0.81 0.08 0.00 -0.00 0.00 0.00 56.01 56.90 1ls8 n LEU 10 Cb 0.45 -0.33 0.08 0.00 -0.00 0.00 0.00 43.42 43.63 1ls8 n LEU 10 CO 0.00 -0.33 0.52 -0.46 -0.00 0.00 0.00 177.39 177.12 1ls8 n ASN 11 N -1.48 2.42 -0.35 1.45 0.23 -1.26 -4.54 115.26 111.73 1ls8 n ASN 11 Ca 0.00 -1.69 0.10 0.00 -0.53 0.00 0.00 54.58 52.46 1ls8 n ASN 11 Cb 0.00 -0.03 0.21 0.00 -2.08 0.00 0.00 39.78 37.89 1ls8 n ASN 11 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1ls8 h PHE 12 N 3.12 -0.31 0.00 -2.53 3.57 -1.80 0.17 116.94 119.16 1ls8 h PHE 12 Ca 0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1ls8 h PHE 12 Cb 0.68 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1ls8 h PHE 12 CO 0.03 -0.44 -1.38 0.41 -2.23 0.00 0.00 178.31 174.70 1ls8 n GLY 13 N -1.57 -0.54 0.37 2.40 0.00 -1.26 -4.37 105.19 100.21 1ls8 n GLY 13 Ca 0.20 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 0.97 0.00 1.61 3.64 -1.46 -0.62 116.57 120.71 1ls8 h LYS 14 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1ls8 h LYS 14 Cb 0.55 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1ls8 h LYS 14 CO 0.00 0.64 0.00 0.00 -2.27 0.00 0.00 179.45 177.82 1ls8 n ALA 15 N -2.40 2.13 -0.35 5.00 0.00 0.48 -3.59 120.51 121.77 1ls8 n ALA 15 Ca 0.14 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.57 1ls8 n ALA 15 Cb 0.23 -1.36 0.27 0.00 0.00 0.00 0.00 19.45 18.59 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 0.87 -1.60 0.00 5.85 -1.31 -1.90 115.31 117.23 1ls8 h LEU 16 Ca 0.00 0.06 0.25 0.00 0.84 0.00 0.00 57.88 59.03 1ls8 h LEU 16 Cb 0.23 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1ls8 h LEU 16 CO 0.00 0.44 0.66 -0.78 -0.34 0.00 0.00 178.44 178.42 1ls8 h ASP 17 N 0.92 0.30 0.50 1.25 1.82 -1.76 0.23 116.42 119.69 1ls8 h ASP 17 Ca 0.51 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 57.17 1ls8 h ASP 17 Cb 0.59 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.60 1ls8 h ASP 17 CO -0.28 0.09 -0.24 -0.33 -1.61 0.00 0.00 179.24 176.87 1ls8 h GLU 18 N 0.28 -0.65 -0.03 0.28 5.08 -1.62 -1.93 114.58 115.99 1ls8 h GLU 18 Ca 0.52 0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1ls8 h GLU 18 Cb 1.51 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 1ls8 h GLU 18 CO -0.17 -0.43 0.01 0.00 -1.00 0.00 0.00 179.01 177.42 1ls8 h LYS 20 N 0.05 0.18 -0.39 0.00 1.57 -0.98 0.30 116.57 117.30 1ls8 h LYS 20 Ca 0.01 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1ls8 h LYS 20 Cb 0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1ls8 h LYS 20 CO -0.00 0.52 0.17 -0.22 -0.57 0.00 0.00 179.45 179.35 1ls8 h LYS 21 N -0.17 0.57 -0.28 3.15 3.11 -0.44 -0.37 116.57 122.13 1ls8 h LYS 21 Ca 0.02 -0.09 -0.02 0.00 -2.81 0.00 0.00 60.65 57.74 1ls8 h LYS 21 Cb 0.46 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1ls8 h LYS 21 CO 0.01 0.52 0.08 0.93 -2.81 0.00 0.00 179.45 178.18 1ls8 h GLU 22 N 0.48 0.44 -0.35 1.90 5.08 -0.88 -3.29 114.58 117.97 1ls8 h GLU 22 Ca 0.13 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1ls8 h GLU 22 Cb 0.15 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1ls8 h GLU 22 CO -0.01 0.52 0.00 -1.33 -1.00 0.00 0.00 179.01 177.18 1ls8 n MET 23 N -4.70 3.10 -4.02 2.33 2.81 0.09 -4.97 117.12 111.75 1ls8 n MET 23 Ca -0.03 -2.61 -0.28 0.00 -1.81 0.00 0.00 57.70 52.98 1ls8 n MET 23 Cb 0.17 -1.68 -0.03 0.00 -0.71 0.00 0.00 33.22 30.97 1ls8 n MET 23 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1ls8 n THR 24 N 0.06 -2.54 -2.12 2.03 5.66 -0.23 -4.99 114.28 112.15 1ls8 n THR 24 Ca 0.19 -0.39 -0.21 0.00 -3.05 0.00 0.00 64.05 60.58 1ls8 n THR 24 Cb 0.76 -2.39 0.13 0.00 -1.55 0.00 0.00 70.33 67.28 1ls8 n THR 24 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1ls8 n LEU 25 N -4.42 0.00 0.00 1.09 4.77 -0.69 -5.05 117.00 112.70 1ls8 n LEU 25 Ca -0.23 -1.42 -0.32 0.00 -0.03 0.00 0.00 56.01 54.01 1ls8 n LEU 25 Cb 0.65 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 1ls8 n LEU 25 CO 0.78 -1.08 -0.20 0.35 -1.33 0.00 0.00 177.39 175.91 1ls8 n THR 26 N -3.04 0.00 -0.42 -5.08 -2.24 -1.26 -4.82 114.28 97.41 1ls8 n THR 26 Ca 0.13 -2.41 -0.11 0.00 -2.27 0.00 0.00 64.05 59.39 1ls8 n THR 26 Cb 0.47 0.41 0.16 0.00 -2.10 0.00 0.00 70.33 69.26 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 -1.39 3.66 -0.00 3.42 8.00 -1.26 -3.97 116.55 125.00 1ls8 n ASP 27 Ca -0.18 -2.96 0.01 0.00 0.71 0.00 0.00 54.79 52.37 1ls8 n ASP 27 Cb 0.65 -0.70 -0.03 0.00 -0.02 0.00 0.00 41.12 41.03 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ls8 n ALA 28 N -0.35 2.08 -0.06 2.24 0.00 -1.26 -4.78 120.51 118.39 1ls8 n ALA 28 Ca 0.35 -0.11 -0.00 0.00 0.00 0.00 0.00 53.44 53.67 1ls8 n ALA 28 Cb 1.18 -0.04 0.28 0.00 0.00 0.00 0.00 19.45 20.87 1ls8 n ALA 28 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1ls8 h ILE 29 N 0.00 1.19 0.00 0.00 3.07 -1.98 -1.93 117.51 117.86 1ls8 h ILE 29 Ca -0.02 -0.68 -0.02 0.00 1.55 0.00 0.00 64.86 65.69 1ls8 h ILE 29 Cb 0.41 0.74 -0.00 0.00 -0.27 0.00 0.00 36.82 37.69 1ls8 h ILE 29 CO 0.00 0.25 -0.09 -1.13 -1.05 0.00 0.00 178.15 176.13 1ls8 h ASN 30 N 0.64 0.00 -0.19 2.16 -1.24 -1.86 0.23 115.58 115.32 1ls8 h ASN 30 Ca 0.15 0.00 -0.18 0.00 0.71 0.00 0.00 56.30 56.97 1ls8 h ASN 30 Cb 0.23 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.29 1ls8 h ASN 30 CO -0.00 0.09 -0.60 -0.33 -1.29 0.00 0.00 177.43 175.30 1ls8 h GLU 31 N 0.00 0.74 0.00 6.67 4.39 -1.68 -3.24 114.58 121.46 1ls8 h GLU 31 Ca -0.00 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1ls8 h GLU 31 Cb 0.35 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1ls8 h GLU 31 CO 0.01 1.16 -0.07 -0.44 -1.16 0.00 0.00 179.01 178.52 1ls8 h ASP 32 N 0.45 0.00 0.35 1.42 5.19 -1.00 -2.63 116.42 120.20 1ls8 h ASP 32 Ca -0.02 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1ls8 h ASP 32 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1ls8 h ASP 32 CO 0.13 0.01 0.00 0.49 -3.12 0.00 0.00 179.24 176.75 1ls8 n PHE 33 N -2.48 0.46 -3.78 4.55 3.72 0.71 -4.78 117.46 115.86 1ls8 n PHE 33 Ca 0.05 0.21 -0.25 0.00 -0.05 0.00 0.00 57.45 57.40 1ls8 n PHE 33 Cb 0.46 -0.83 -0.00 0.00 -0.94 0.00 0.00 39.48 38.17 1ls8 n PHE 33 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1ls8 s TYR 34 N -3.25 1.65 -1.40 1.38 1.51 -0.99 -4.77 117.35 111.48 1ls8 s TYR 34 Ca 0.02 -0.81 0.00 0.00 -1.01 0.00 0.00 57.07 55.27 1ls8 s TYR 34 Cb 0.07 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.96 1ls8 s TYR 34 CO 0.24 -0.53 0.00 -1.71 -1.11 0.00 0.00 175.55 172.44 1ls8 n ASN 35 N -1.80 -4.69 0.33 2.29 2.85 -1.26 -4.87 115.26 108.11 1ls8 n ASN 35 Ca 0.00 0.14 0.15 0.00 -0.11 0.00 0.00 54.58 54.77 1ls8 n ASN 35 Cb 0.64 -3.98 0.82 0.00 1.24 0.00 0.00 39.78 38.50 1ls8 n ASN 35 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 1ls8 h PHE 36 N 0.00 0.00 -1.19 1.20 0.04 -1.88 -3.44 116.94 111.68 1ls8 h PHE 36 Ca -0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.40 1ls8 h PHE 36 Cb 1.25 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.40 1ls8 h PHE 36 CO 0.62 0.00 0.00 1.87 -0.60 0.00 0.00 178.31 180.20 1ls8 n TRP 37 N -2.89 -1.03 -1.51 -0.55 -0.00 -1.26 -4.99 117.44 105.21 1ls8 n TRP 37 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.48 1ls8 n TRP 37 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.69 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 -0.27 -4.32 0.25 5.87 4.01 -1.26 -4.18 118.16 118.26 1ls8 n LYS 38 Ca 0.00 3.23 0.13 0.00 -0.51 0.00 0.00 58.31 61.16 1ls8 n LYS 38 Cb 0.00 -3.65 0.62 0.00 -0.51 0.00 0.00 35.03 31.49 1ls8 n LYS 38 CO 0.00 0.00 0.00 1.05 -1.11 0.00 0.00 177.40 177.34 1ls8 h GLU 39 N 1.51 0.00 0.00 1.97 4.11 -2.01 -3.27 114.58 116.90 1ls8 h GLU 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1ls8 h GLU 39 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1ls8 h GLU 39 CO 0.00 0.13 -0.55 0.41 0.07 0.00 0.00 179.01 179.06 1ls8 n GLY 40 N -0.11 0.06 3.60 1.06 0.00 -1.26 -4.83 105.19 103.71 1ls8 n GLY 40 Ca -0.00 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.97 2.35 -0.08 1.61 6.14 -1.23 -4.99 117.35 119.18 1ls8 s TYR 41 Ca 0.03 0.68 0.03 0.00 0.64 0.00 0.00 57.07 58.44 1ls8 s TYR 41 Cb 0.07 -4.25 -0.02 0.00 0.42 0.00 0.00 41.96 38.18 1ls8 s TYR 41 CO 0.38 -2.09 -0.16 -1.21 0.64 0.00 0.00 175.55 173.11 1ls8 s GLU 42 N 4.94 2.84 -0.27 4.97 2.02 -1.26 -4.71 118.70 127.24 1ls8 s GLU 42 Ca 0.63 -0.74 -0.29 0.00 0.02 0.00 0.00 54.97 54.59 1ls8 s GLU 42 Cb -0.15 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.64 1ls8 s GLU 42 CO 0.32 0.42 1.56 0.42 0.02 0.00 0.00 175.26 177.99 1ls8 s ILE 43 N -0.20 3.78 -0.13 -1.63 1.01 -1.26 -4.91 121.20 117.85 1ls8 s ILE 43 Ca -0.00 0.86 0.15 0.00 0.00 0.00 0.00 60.65 61.66 1ls8 s ILE 43 Cb -0.13 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1ls8 s ILE 43 CO 0.03 -0.39 1.19 0.07 0.00 0.00 0.00 174.94 175.84 1ls8 h LYS 44 N 10.69 0.00 -7.28 2.79 2.10 -1.98 -3.45 116.57 119.44 1ls8 h LYS 44 Ca -0.32 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 57.82 1ls8 h LYS 44 Cb 1.14 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 32.64 1ls8 h LYS 44 CO 1.02 0.45 0.27 -0.80 -2.00 0.00 0.00 179.45 178.39 1ls8 s ASN 45 N -6.20 3.66 0.00 7.07 0.01 -1.26 -4.95 114.94 113.27 1ls8 s ASN 45 Ca 0.01 2.05 0.00 0.00 -0.71 0.00 0.00 52.86 54.21 1ls8 s ASN 45 Cb 0.08 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1ls8 s ASN 45 CO 0.78 -2.61 0.00 -2.11 -1.51 0.00 0.00 177.10 171.65 1ls8 n ARG 46 N -3.84 3.01 0.25 -0.60 0.00 -1.26 -4.77 116.66 109.45 1ls8 n ARG 46 Ca 0.11 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.05 1ls8 n ARG 46 Cb 0.52 -0.75 0.67 0.00 -0.00 0.00 0.00 32.46 32.90 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 0.00 0.85 2.89 5.08 -1.96 -2.04 114.58 119.40 1ls8 h GLU 47 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1ls8 h GLU 47 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ls8 h GLU 47 CO 0.00 0.10 -0.41 1.15 -1.00 0.00 0.00 179.01 178.85 1ls8 h THR 48 N 0.00 0.04 0.00 1.13 2.02 -1.88 0.52 112.91 114.73 1ls8 h THR 48 Ca -0.00 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1ls8 h THR 48 Cb 0.21 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1ls8 h THR 48 CO 0.01 0.00 -0.20 1.23 0.37 0.00 0.00 175.52 176.93 1ls8 h GLY 49 N -1.28 0.00 1.02 2.16 0.00 -1.88 -0.17 103.07 102.92 1ls8 h GLY 49 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 1ls8 h GLY 49 CO 0.19 0.00 0.49 0.00 0.00 0.00 0.00 176.54 177.23 1ls8 h ALA 51 N 1.27 0.36 -0.71 0.00 0.00 0.22 -3.06 119.26 117.33 1ls8 h ALA 51 Ca 0.30 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.28 1ls8 h ALA 51 Cb -0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 1ls8 h ALA 51 CO -0.05 -0.18 0.37 0.82 0.00 0.00 0.00 179.25 180.21 1ls8 h ILE 52 N 0.38 0.88 -0.27 0.00 2.04 -0.31 0.25 117.51 120.48 1ls8 h ILE 52 Ca 0.10 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.81 1ls8 h ILE 52 Cb -0.04 0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 36.15 1ls8 h ILE 52 CO -0.02 0.12 -0.22 -0.03 0.00 0.00 0.00 178.15 177.99 1ls8 h MET 53 N 0.64 -0.21 -0.63 2.37 4.05 -1.22 0.19 114.93 120.12 1ls8 h MET 53 Ca 0.35 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.78 1ls8 h MET 53 Cb 0.33 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 1ls8 h MET 53 CO -0.25 -0.14 0.40 0.00 0.23 0.00 0.00 176.91 177.15 1ls8 h LEU 55 N 0.85 -0.94 -0.58 0.00 3.38 0.08 0.21 115.31 118.32 1ls8 h LEU 55 Ca 0.23 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1ls8 h LEU 55 Cb -0.07 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1ls8 h LEU 55 CO -0.05 -0.53 0.38 0.28 0.09 0.00 0.00 178.44 178.61 1ls8 h SER 56 N -0.82 0.68 -0.37 -0.43 0.02 -0.88 0.85 113.55 112.59 1ls8 h SER 56 Ca -0.05 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 1ls8 h SER 56 Cb 0.70 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 1ls8 h SER 56 CO 0.01 0.51 0.21 0.00 -1.14 0.00 0.00 176.83 176.41 1ls8 h THR 57 N 0.79 1.14 -0.19 -2.27 1.03 -0.86 0.12 112.91 112.66 1ls8 h THR 57 Ca 0.21 -0.35 -0.05 0.00 -0.01 0.00 0.00 66.41 66.22 1ls8 h THR 57 Cb -0.07 0.70 -0.01 0.00 -1.07 0.00 0.00 68.15 67.70 1ls8 h THR 57 CO -0.04 0.14 -0.10 0.50 -0.01 0.00 0.00 175.52 176.00 1ls8 h LYS 58 N 0.47 0.29 0.00 0.00 1.63 -0.39 -0.98 116.57 117.60 1ls8 h LYS 58 Ca 0.13 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.87 1ls8 h LYS 58 Cb 0.04 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1ls8 h LYS 58 CO -0.02 0.41 0.00 1.28 -3.45 0.00 0.00 179.45 177.66 1ls8 n LEU 59 N -4.28 0.00 -3.36 5.20 4.77 0.24 -4.88 117.00 114.68 1ls8 n LEU 59 Ca -0.00 0.36 -0.17 0.00 -0.03 0.00 0.00 56.01 56.17 1ls8 n LEU 59 Cb 0.26 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 41.06 1ls8 n LEU 59 CO 0.38 -0.14 0.04 0.59 -1.33 0.00 0.00 177.39 176.94 1ls8 n ASN 60 N -1.36 -4.66 -0.00 -1.43 5.03 -0.37 -4.90 115.26 107.57 1ls8 n ASN 60 Ca 0.07 -0.70 0.02 0.00 0.87 0.00 0.00 54.58 54.84 1ls8 n ASN 60 Cb 0.17 -5.01 -0.02 0.00 -1.02 0.00 0.00 39.78 33.90 1ls8 n ASN 60 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 1ls8 n MET 61 N -3.66 2.37 -4.58 3.52 1.56 0.37 -4.61 117.12 112.08 1ls8 n MET 61 Ca -0.16 -0.02 -0.23 0.00 -0.27 0.00 0.00 57.70 57.01 1ls8 n MET 61 Cb 0.64 -0.92 -0.14 0.00 2.15 0.00 0.00 33.22 34.95 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 -2.82 2.14 0.90 -0.89 1.43 -1.23 -3.92 118.68 114.28 1ls8 s LEU 62 Ca -0.00 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 1ls8 s LEU 62 Cb 0.02 -0.83 0.13 0.00 0.03 0.00 0.00 46.19 45.55 1ls8 s LEU 62 CO 0.15 0.13 1.10 -1.81 0.23 0.00 0.00 176.35 176.15 1ls8 s ASP 63 N -0.98 3.30 0.60 2.29 1.01 -1.03 -4.71 116.67 117.15 1ls8 s ASP 63 Ca 0.05 1.82 0.32 0.00 0.71 0.00 0.00 52.55 55.45 1ls8 s ASP 63 Cb -0.08 -2.42 1.89 0.00 1.01 0.00 0.00 42.92 43.33 1ls8 s ASP 63 CO 0.01 -2.80 2.26 -0.65 0.21 0.00 0.00 175.17 174.20 1ls8 h PRO 64 N -1.66 0.00 0.25 8.23 0.11 -2.00 -1.95 132.00 134.98 1ls8 h PRO 64 Ca -0.47 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.30 1ls8 h PRO 64 Cb 1.27 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.42 1ls8 h PRO 64 CO 0.49 0.01 -1.48 0.93 -0.21 0.00 0.00 178.00 177.73 1ls8 h GLU 65 N 0.00 0.52 0.00 1.05 3.07 -2.04 -3.48 114.58 113.70 1ls8 h GLU 65 Ca -0.00 -0.90 0.00 0.00 -0.50 0.00 0.00 59.36 57.96 1ls8 h GLU 65 Cb 0.03 0.33 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1ls8 h GLU 65 CO 0.00 1.43 0.00 0.41 -1.40 0.00 0.00 179.01 179.45 1ls8 n GLY 66 N 1.71 1.17 3.75 -3.84 0.00 -0.73 -5.11 105.19 102.14 1ls8 n GLY 66 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 3.29 -4.63 1.61 3.02 -1.26 -4.64 115.26 112.63 1ls8 n ASN 67 Ca 0.00 1.16 -0.33 0.00 -0.03 0.00 0.00 54.58 55.37 1ls8 n ASN 67 Cb 0.00 -1.58 0.13 0.00 -0.61 0.00 0.00 39.78 37.72 1ls8 n ASN 67 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1ls8 n LEU 68 N 0.15 3.38 -3.75 3.41 -0.00 -1.26 -2.46 117.00 116.48 1ls8 n LEU 68 Ca 0.04 0.53 -0.15 0.00 -0.00 0.00 0.00 56.01 56.44 1ls8 n LEU 68 Cb 0.40 -1.44 -0.15 0.00 -0.00 0.00 0.00 43.42 42.22 1ls8 n LEU 68 CO 0.61 -2.12 -0.29 -2.28 -0.00 0.00 0.00 177.39 173.31 1ls8 s HIS 69 N -2.21 -0.07 0.09 1.96 5.65 -1.26 -4.90 115.29 114.56 1ls8 s HIS 69 Ca 0.70 0.33 -0.31 0.00 0.25 0.00 0.00 55.06 56.02 1ls8 s HIS 69 Cb -0.28 -0.19 -0.13 0.00 -1.18 0.00 0.00 32.58 30.79 1ls8 s HIS 69 CO 0.54 -0.14 1.50 0.45 -0.65 0.00 0.00 174.74 176.44 1ls8 h HIS 70 N 7.44 -1.38 -0.54 3.88 -0.00 -1.96 -0.73 115.15 121.86 1ls8 h HIS 70 Ca -0.40 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 59.95 1ls8 h HIS 70 Cb 1.13 0.58 -0.02 0.00 -0.00 0.00 0.00 27.41 29.10 1ls8 h HIS 70 CO 0.47 -0.55 0.11 0.78 -0.00 0.00 0.00 177.93 178.74 1ls8 h GLY 71 N -0.71 0.94 0.74 2.45 0.00 -1.98 0.13 103.07 104.64 1ls8 h GLY 71 Ca -0.01 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.72 1ls8 h GLY 71 CO -0.24 0.56 -0.21 -0.57 0.00 0.00 0.00 176.54 176.08 1ls8 h ASN 72 N 0.76 -0.55 0.87 0.19 -0.00 -1.83 -1.35 115.58 113.67 1ls8 h ASN 72 Ca 0.17 0.05 -0.04 0.00 -0.00 0.00 0.00 56.30 56.48 1ls8 h ASN 72 Cb 0.36 0.19 -0.01 0.00 -0.00 0.00 0.00 38.32 38.87 1ls8 h ASN 72 CO 0.01 -0.30 -0.18 0.00 -0.00 0.00 0.00 177.43 176.95 1ls8 h ALA 73 N 0.30 1.04 -0.56 1.57 0.00 -1.07 -2.74 119.26 117.81 1ls8 h ALA 73 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1ls8 h ALA 73 Cb 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ls8 h ALA 73 CO -0.06 0.23 0.22 1.98 0.00 0.00 0.00 179.25 181.62 1ls8 h MET 74 N 0.00 0.83 -0.75 0.00 1.85 -0.15 -3.28 114.93 113.43 1ls8 h MET 74 Ca -0.00 -0.16 0.08 0.00 -0.61 0.00 0.00 59.70 59.02 1ls8 h MET 74 Cb 0.67 -0.13 -0.07 0.00 0.43 0.00 0.00 31.60 32.50 1ls8 h MET 74 CO 0.02 0.73 0.41 0.93 -0.40 0.00 0.00 176.91 178.61 1ls8 h GLU 75 N 0.76 0.69 0.00 0.39 4.39 -0.94 0.16 114.58 120.03 1ls8 h GLU 75 Ca 0.18 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.79 1ls8 h GLU 75 Cb 0.21 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1ls8 h GLU 75 CO -0.01 0.46 -0.27 0.35 -1.16 0.00 0.00 179.01 178.38 1ls8 h PHE 76 N 0.72 0.00 0.08 4.33 3.57 -1.69 -2.31 116.94 121.64 1ls8 h PHE 76 Ca 0.36 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.68 1ls8 h PHE 76 Cb 0.31 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 1ls8 h PHE 76 CO -0.08 0.27 -0.88 0.00 -2.23 0.00 0.00 178.31 175.39 1ls8 h ALA 77 N 1.73 0.07 -0.19 2.41 0.00 -1.22 -3.32 119.26 118.74 1ls8 h ALA 77 Ca -0.00 -0.85 0.05 0.00 0.00 0.00 0.00 54.91 54.11 1ls8 h ALA 77 Cb 0.48 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ls8 h ALA 77 CO 0.03 0.48 0.22 1.57 0.00 0.00 0.00 179.25 181.55 1ls8 h LYS 78 N -0.60 0.00 -1.15 0.00 5.09 -0.68 -2.14 116.57 117.09 1ls8 h LYS 78 Ca -0.19 0.00 0.32 0.00 0.09 0.00 0.00 60.65 60.87 1ls8 h LYS 78 Cb 1.47 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 33.71 1ls8 h LYS 78 CO 0.03 0.00 0.76 -0.22 -2.09 0.00 0.00 179.45 177.93 1ls8 h LYS 79 N 0.00 0.23 0.00 0.07 1.63 -1.52 -1.37 116.57 115.62 1ls8 h LYS 79 Ca 0.09 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1ls8 h LYS 79 Cb 0.53 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1ls8 h LYS 79 CO -0.00 0.15 -0.04 0.72 -3.45 0.00 0.00 179.45 176.83 1ls8 n HIS 80 N -4.52 0.00 -2.12 1.91 8.25 -0.81 -5.02 115.22 112.91 1ls8 n HIS 80 Ca 0.28 -0.71 -0.05 0.00 -0.26 0.00 0.00 57.72 56.98 1ls8 n HIS 80 Cb 1.09 -0.10 0.02 0.00 1.12 0.00 0.00 29.99 32.12 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 -0.96 0.24 3.59 -1.41 0.00 -0.52 -4.87 105.19 101.26 1ls8 n GLY 81 Ca 0.09 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.12 0.41 0.31 4.61 0.00 -1.20 -4.96 121.76 117.81 1ls8 s ALA 82 Ca 0.13 -0.53 -0.27 0.00 0.00 0.00 0.00 51.96 51.29 1ls8 s ALA 82 Cb -0.02 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 1ls8 s ALA 82 CO 0.24 -3.40 1.00 -0.51 0.00 0.00 0.00 175.76 173.09 1ls8 s ASP 83 N -3.38 7.28 0.40 0.00 1.11 -1.26 -4.93 116.67 115.89 1ls8 s ASP 83 Ca 0.68 1.99 0.09 0.00 0.18 0.00 0.00 52.55 55.49 1ls8 s ASP 83 Cb -0.17 -2.60 0.83 0.00 1.07 0.00 0.00 42.92 42.05 1ls8 s ASP 83 CO 0.59 -0.11 1.98 1.05 1.18 0.00 0.00 175.17 179.85 1ls8 h GLU 84 N 3.40 0.35 0.27 8.23 9.09 -1.98 0.52 114.58 134.47 1ls8 h GLU 84 Ca -0.47 -0.05 -0.01 0.00 0.05 0.00 0.00 59.36 58.88 1ls8 h GLU 84 Cb 1.20 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 28.24 1ls8 h GLU 84 CO 0.66 0.36 -0.13 1.15 0.05 0.00 0.00 179.01 181.09 1ls8 h THR 85 N 0.34 0.00 -0.50 -1.06 2.02 -1.99 -2.87 112.91 108.85 1ls8 h THR 85 Ca 0.08 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1ls8 h THR 85 Cb 0.20 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 1ls8 h THR 85 CO 0.00 0.00 0.28 -0.03 0.37 0.00 0.00 175.52 176.15 1ls8 h MET 86 N -0.51 0.69 -0.30 6.66 1.85 -1.93 0.10 114.93 121.50 1ls8 h MET 86 Ca -0.04 -0.07 -0.05 0.00 -0.61 0.00 0.00 59.70 58.93 1ls8 h MET 86 Cb 0.28 -0.14 -0.02 0.00 0.43 0.00 0.00 31.60 32.15 1ls8 h MET 86 CO 0.06 0.52 -0.02 0.00 -0.40 0.00 0.00 176.91 177.08 1ls8 h ALA 87 N 1.13 1.40 0.13 0.39 0.00 -1.05 -1.05 119.26 120.20 1ls8 h ALA 87 Ca 0.18 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1ls8 h ALA 87 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ls8 h ALA 87 CO -0.03 0.42 -0.06 0.37 0.00 0.00 0.00 179.25 179.94 1ls8 h GLN 88 N 0.45 -0.17 -0.45 0.00 5.75 -1.05 -3.13 115.11 116.52 1ls8 h GLN 88 Ca 0.10 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.67 1ls8 h GLN 88 Cb 0.33 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.86 1ls8 h GLN 88 CO 0.01 0.23 0.12 1.96 -2.65 0.00 0.00 178.83 178.51 1ls8 h GLN 89 N -0.62 0.27 0.00 1.69 1.08 -0.54 -0.69 115.11 116.30 1ls8 h GLN 89 Ca -0.02 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1ls8 h GLN 89 Cb 0.48 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1ls8 h GLN 89 CO 0.03 0.18 0.00 -0.07 -0.95 0.00 0.00 178.83 178.02 1ls8 h LEU 90 N 0.27 0.00 0.03 1.46 4.07 -1.28 0.15 115.31 120.01 1ls8 h LEU 90 Ca 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.18 1ls8 h LEU 90 Cb 0.25 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1ls8 h LEU 90 CO -0.25 0.00 -0.02 0.40 -1.08 0.00 0.00 178.44 177.49 1ls8 h ILE 91 N 0.00 1.23 -0.62 1.22 2.04 -1.11 -3.24 117.51 117.03 1ls8 h ILE 91 Ca 0.00 -1.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 1ls8 h ILE 91 Cb 0.26 2.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 1ls8 h ILE 91 CO 0.00 0.39 0.37 -0.78 0.00 0.00 0.00 178.15 178.13 1ls8 h ASP 92 N -0.93 0.75 0.45 1.72 3.58 -0.40 -1.56 116.42 120.02 1ls8 h ASP 92 Ca -0.00 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 1ls8 h ASP 92 Cb 0.67 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.53 1ls8 h ASP 92 CO 0.01 0.58 -0.26 0.40 -2.88 0.00 0.00 179.24 177.09 1ls8 h ILE 93 N 0.86 0.46 -0.92 2.25 2.04 -0.89 0.10 117.51 121.41 1ls8 h ILE 93 Ca 0.22 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.16 1ls8 h ILE 93 Cb -0.02 0.46 -0.07 0.00 -0.74 0.00 0.00 36.82 36.45 1ls8 h ILE 93 CO -0.04 0.00 0.57 0.58 0.00 0.00 0.00 178.15 179.26 1ls8 h VAL 94 N -0.67 1.02 -0.62 1.67 2.07 -1.49 0.11 116.25 118.33 1ls8 h VAL 94 Ca -0.05 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1ls8 h VAL 94 Cb 0.55 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 1ls8 h VAL 94 CO 0.06 0.18 0.31 -0.74 0.02 0.00 0.00 177.57 177.40 1ls8 h HIS 95 N 1.01 0.89 0.00 1.57 6.17 -0.64 0.21 115.15 124.37 1ls8 h HIS 95 Ca 0.41 -0.04 -0.08 0.00 0.71 0.00 0.00 60.37 61.37 1ls8 h HIS 95 Cb 0.23 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 29.87 1ls8 h HIS 95 CO -0.02 0.67 -0.39 0.78 0.71 0.00 0.00 177.93 179.67 1ls8 h GLY 96 N 0.85 0.00 0.24 5.26 0.00 -0.23 -2.51 103.07 106.68 1ls8 h GLY 96 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.50 1ls8 h GLY 96 CO -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.34 1ls8 h GLU 98 N -0.75 0.40 0.65 0.00 5.08 -0.67 0.19 114.58 119.48 1ls8 h GLU 98 Ca -0.03 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1ls8 h GLU 98 Cb 1.05 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.22 1ls8 h GLU 98 CO 0.03 0.26 -0.31 -0.22 -1.00 0.00 0.00 179.01 177.77 1ls8 h LYS 99 N 0.41 -0.85 0.00 2.33 3.64 -1.46 -3.31 116.57 117.34 1ls8 h LYS 99 Ca 0.35 0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.77 1ls8 h LYS 99 Cb 0.80 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1ls8 h LYS 99 CO -0.11 -0.56 -0.12 1.03 -2.27 0.00 0.00 179.45 177.42 1ls8 h SER 100 N -1.19 0.00 -3.48 4.20 0.87 -0.68 -3.39 113.55 109.88 1ls8 h SER 100 Ca -0.09 0.00 -0.63 0.00 -1.23 0.00 0.00 61.79 59.84 1ls8 h SER 100 Cb 0.67 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.50 1ls8 h SER 100 CO 0.15 0.12 0.35 -0.89 -0.53 0.00 0.00 176.83 176.03 1ls8 s THR 101 N -3.93 4.63 0.77 2.23 2.01 0.61 -5.07 115.64 116.89 1ls8 s THR 101 Ca -0.01 0.27 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 1ls8 s THR 101 Cb 0.11 -4.36 0.19 0.00 0.01 0.00 0.00 72.50 68.45 1ls8 s THR 101 CO 0.58 -0.81 0.76 -0.81 -0.69 0.00 0.00 174.62 173.65 1ls8 n PRO 102 N 6.79 -2.05 -2.54 4.92 -0.04 -1.26 -4.78 135.00 136.05 1ls8 n PRO 102 Ca 0.01 -1.20 -0.36 0.00 -0.04 0.00 0.00 63.50 61.91 1ls8 n PRO 102 Cb 0.48 -1.04 -0.04 0.00 -0.04 0.00 0.00 33.50 32.86 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 -3.24 3.01 0.04 0.55 0.00 -1.26 -4.91 121.76 115.94 1ls8 s ALA 103 Ca 0.48 0.67 0.05 0.00 0.00 0.00 0.00 51.96 53.16 1ls8 s ALA 103 Cb -0.04 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 1ls8 s ALA 103 CO 0.36 -0.26 -0.14 1.21 0.00 0.00 0.00 175.76 176.93 1ls8 s ASN 104 N -1.71 1.68 0.00 0.00 2.47 -1.26 -5.02 114.94 111.10 1ls8 s ASN 104 Ca 0.61 -0.45 0.09 0.00 0.42 0.00 0.00 52.86 53.53 1ls8 s ASN 104 Cb -0.20 -0.11 0.53 0.00 -1.45 0.00 0.00 41.25 40.01 1ls8 s ASN 104 CO 0.25 0.04 0.94 0.47 -3.72 0.00 0.00 177.10 175.09 1ls8 n ASP 105 N 1.94 0.00 -3.83 -4.21 8.00 -1.26 -3.89 116.55 113.30 1ls8 n ASP 105 Ca -0.18 -0.43 -0.30 0.00 0.71 0.00 0.00 54.79 54.59 1ls8 n ASP 105 Cb 0.55 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.50 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 -1.92 4.17 0.37 -2.24 -1.08 -1.26 -4.99 116.67 109.72 1ls8 s ASP 106 Ca 0.13 -1.70 0.26 0.00 -0.52 0.00 0.00 52.55 50.72 1ls8 s ASP 106 Cb 0.06 -1.09 1.33 0.00 -1.46 0.00 0.00 42.92 41.76 1ls8 s ASP 106 CO 0.10 -0.38 1.79 0.50 0.52 0.00 0.00 175.17 177.70 1ls8 h LYS 107 N 7.95 0.00 0.48 4.34 3.11 -2.00 -0.35 116.57 130.10 1ls8 h LYS 107 Ca -0.12 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.70 1ls8 h LYS 107 Cb 1.03 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.26 1ls8 h LYS 107 CO 0.47 0.00 -0.23 0.00 -2.81 0.00 0.00 179.45 176.88 1ls8 h ILE 109 N -0.97 0.99 -0.08 0.00 5.03 -1.42 0.20 117.51 121.27 1ls8 h ILE 109 Ca -0.07 -0.32 0.03 0.00 -0.12 0.00 0.00 64.86 64.38 1ls8 h ILE 109 Cb 0.59 -0.01 -0.03 0.00 -3.03 0.00 0.00 36.82 34.34 1ls8 h ILE 109 CO 0.11 0.17 -0.09 -0.25 -0.68 0.00 0.00 178.15 177.41 1ls8 h TRP 110 N 0.92 -0.21 0.17 1.37 7.01 -1.27 0.18 115.95 124.12 1ls8 h TRP 110 Ca 0.41 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.42 1ls8 h TRP 110 Cb 0.35 0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.51 1ls8 h TRP 110 CO -0.00 -0.13 -0.11 1.15 -2.79 0.00 0.00 178.44 176.56 1ls8 h THR 111 N -0.11 0.77 -0.82 2.65 2.02 -0.51 -2.89 112.91 114.01 1ls8 h THR 111 Ca 0.06 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.31 1ls8 h THR 111 Cb 0.20 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 1ls8 h THR 111 CO -0.15 0.00 0.54 -0.07 0.37 0.00 0.00 175.52 176.21 1ls8 h LEU 112 N -0.27 0.78 0.25 2.58 -0.00 -0.27 0.46 115.31 118.83 1ls8 h LEU 112 Ca -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1ls8 h LEU 112 Cb 0.23 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 1ls8 h LEU 112 CO 0.01 0.50 -0.18 1.23 -0.00 0.00 0.00 178.44 180.00 1ls8 h GLY 113 N 0.88 -0.44 0.87 0.83 0.00 -0.58 -0.15 103.07 104.48 1ls8 h GLY 113 Ca 0.36 0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.92 1ls8 h GLY 113 CO -0.13 -0.18 0.47 -2.08 0.00 0.00 0.00 176.54 174.62 1ls8 h VAL 114 N -0.43 1.11 -0.20 4.60 2.07 -1.14 -1.19 116.25 121.07 1ls8 h VAL 114 Ca -0.02 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1ls8 h VAL 114 Cb 0.38 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1ls8 h VAL 114 CO -0.00 0.17 -0.20 0.00 0.02 0.00 0.00 177.57 177.55 1ls8 h ALA 115 N 1.32 1.30 0.13 1.67 0.00 0.32 0.12 119.26 124.11 1ls8 h ALA 115 Ca 0.30 -0.29 -0.25 0.00 0.00 0.00 0.00 54.91 54.67 1ls8 h ALA 115 Cb 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ls8 h ALA 115 CO -0.11 0.47 -1.24 1.15 0.00 0.00 0.00 179.25 179.52 1ls8 h THR 116 N 0.31 1.18 -0.84 0.00 2.02 -0.88 -3.21 112.91 111.49 1ls8 h THR 116 Ca 0.05 -2.45 0.12 0.00 0.77 0.00 0.00 66.41 64.90 1ls8 h THR 116 Cb 0.54 2.86 -0.08 0.00 -1.74 0.00 0.00 68.15 69.73 1ls8 h THR 116 CO 0.04 0.71 0.46 0.00 0.37 0.00 0.00 175.52 177.10 1ls8 h PHE 118 N 0.73 0.76 0.00 0.00 3.04 -0.86 -1.43 116.94 119.18 1ls8 h PHE 118 Ca 0.43 0.03 -0.13 0.00 3.98 0.00 0.00 57.97 62.28 1ls8 h PHE 118 Cb 0.49 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1ls8 h PHE 118 CO -0.07 0.28 -0.62 0.87 -2.02 0.00 0.00 178.31 176.75 1ls8 h LYS 119 N 0.70 0.00 -0.17 1.11 1.79 -1.21 -2.12 116.57 116.67 1ls8 h LYS 119 Ca 0.39 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.83 1ls8 h LYS 119 Cb 0.39 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 1ls8 h LYS 119 CO -0.27 0.62 -0.00 0.00 -1.08 0.00 0.00 179.45 178.72 1ls8 h ALA 120 N 1.38 0.23 -0.40 3.86 0.00 -0.34 -1.46 119.26 122.53 1ls8 h ALA 120 Ca -0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1ls8 h ALA 120 Cb 1.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1ls8 h ALA 120 CO 0.08 -0.06 0.11 0.93 0.00 0.00 0.00 179.25 180.31 1ls8 h GLU 121 N 0.04 0.63 -0.71 0.00 4.39 -1.32 -1.20 114.58 116.41 1ls8 h GLU 121 Ca 0.05 -0.14 0.19 0.00 0.34 0.00 0.00 59.36 59.79 1ls8 h GLU 121 Cb 0.39 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.92 1ls8 h GLU 121 CO 0.01 0.64 0.50 0.82 -1.16 0.00 0.00 179.01 179.82 1ls8 h ILE 122 N 0.50 0.68 0.03 3.13 1.08 -1.36 -0.19 117.51 121.39 1ls8 h ILE 122 Ca 0.13 -0.04 -0.00 0.00 -0.39 0.00 0.00 64.86 64.56 1ls8 h ILE 122 Cb 0.29 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 34.60 1ls8 h ILE 122 CO -0.00 0.02 -0.02 -0.74 -0.69 0.00 0.00 178.15 176.72 1ls8 h HIS 123 N 0.11 -0.04 -0.15 1.37 2.76 -0.15 0.13 115.15 119.18 1ls8 h HIS 123 Ca 0.35 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.51 1ls8 h HIS 123 Cb 1.21 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.18 1ls8 h HIS 123 CO -0.00 0.64 0.07 1.57 -1.30 0.00 0.00 177.93 178.91 1ls8 h LYS 124 N -0.83 0.20 0.00 5.26 5.09 -0.89 -0.27 116.57 125.13 1ls8 h LYS 124 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1ls8 h LYS 124 Cb 0.70 -0.04 0.00 0.00 0.10 0.00 0.00 32.23 32.99 1ls8 h LYS 124 CO 0.01 0.16 0.00 1.28 -2.09 0.00 0.00 179.45 178.81 1ls8 n LEU 125 N -4.49 0.36 -3.55 7.07 4.77 -0.12 -4.91 117.00 116.13 1ls8 n LEU 125 Ca -0.01 0.58 -0.22 0.00 -0.03 0.00 0.00 56.01 56.34 1ls8 n LEU 125 Cb 0.10 -0.53 0.08 0.00 -2.33 0.00 0.00 43.42 40.74 1ls8 n LEU 125 CO 0.35 -0.39 0.19 -3.20 -1.33 0.00 0.00 177.39 173.01 1ls8 n ASN 126 N -1.89 -4.73 -1.68 -1.43 5.15 -0.11 -4.95 115.26 105.62 1ls8 n ASN 126 Ca 0.03 -0.58 -0.15 0.00 -0.60 0.00 0.00 54.58 53.28 1ls8 n ASN 126 Cb 0.21 -5.04 0.07 0.00 -0.53 0.00 0.00 39.78 34.49 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 -4.68 1.98 -3.68 1.20 8.01 -0.01 -4.94 117.44 115.31 1ls8 n TRP 127 Ca -0.10 -2.02 -0.36 0.00 -1.31 0.00 0.00 57.50 53.71 1ls8 n TRP 127 Cb 0.60 -0.31 -0.08 0.00 -2.01 0.00 0.00 31.31 29.51 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 -3.48 3.85 -0.87 6.99 0.00 -1.26 -4.89 121.76 122.11 1ls8 s ALA 128 Ca 0.47 -3.50 -0.06 0.00 0.00 0.00 0.00 51.96 48.87 1ls8 s ALA 128 Cb 0.40 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.75 1ls8 s ALA 128 CO 0.01 -2.13 2.88 -0.35 0.00 0.00 0.00 175.76 176.17 1ls8 n PRO 129 N 3.03 3.26 -0.26 0.00 -0.04 -1.26 -4.77 135.00 134.95 1ls8 n PRO 129 Ca 0.13 -2.36 -0.05 0.00 -0.04 0.00 0.00 63.50 61.19 1ls8 n PRO 129 Cb 0.38 -2.40 0.06 0.00 -0.04 0.00 0.00 33.50 31.50 1ls8 n PRO 129 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ls8 h SER 130 N 3.91 0.82 0.42 3.54 0.02 -1.95 -0.33 113.55 119.98 1ls8 h SER 130 Ca 0.55 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.40 1ls8 h SER 130 Cb 0.67 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 1ls8 h SER 130 CO 1.11 0.59 -0.39 -0.03 -1.14 0.00 0.00 176.83 176.98 1ls8 h MET 131 N 0.97 0.00 0.08 3.45 1.85 -2.03 -3.30 114.93 115.95 1ls8 h MET 131 Ca 0.27 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.35 1ls8 h MET 131 Cb -0.10 0.00 0.00 0.00 0.43 0.00 0.00 31.60 31.93 1ls8 h MET 131 CO -0.06 0.39 -0.04 -0.44 -0.40 0.00 0.00 176.91 176.36 1ls8 h ASP 132 N 0.00 -0.09 -4.73 1.39 5.19 -1.50 -3.48 116.42 113.20 1ls8 h ASP 132 Ca -0.00 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.49 1ls8 h ASP 132 Cb 0.70 0.02 -0.14 0.00 0.18 0.00 0.00 39.33 40.09 1ls8 h ASP 132 CO 0.05 -0.02 0.42 0.54 -3.12 0.00 0.00 179.24 177.11 1ls8 s VAL 133 N -2.27 0.00 0.00 -1.35 0.11 -0.57 -5.08 120.40 111.25 1ls8 s VAL 133 Ca -0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 1ls8 s VAL 133 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1ls8 s VAL 133 CO 0.05 0.00 0.14 0.00 -3.33 0.00 0.00 175.10 171.95 1ls8 n ALA 134 N -0.27 -0.01 -3.39 1.54 0.00 -1.26 -4.41 120.51 112.71 1ls8 n ALA 134 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.06 1ls8 n ALA 134 Cb 0.63 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.32 0.29 0.00 0.00 1.01 -1.26 -5.04 120.40 115.08 1ls8 s VAL 135 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 61.98 59.46 1ls8 s VAL 135 Cb 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.16 1ls8 s VAL 135 CO 0.00 -1.20 0.00 0.61 0.00 0.00 0.00 175.10 174.51 1ls8 n GLY 136 N 2.99 -0.53 3.49 4.51 0.00 -1.26 -4.88 105.19 109.51 1ls8 n GLY 136 Ca 0.28 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 1ls8 n GLY 136 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ls8 n GLU 137 N -0.46 -3.49 -3.14 1.61 0.00 -1.26 -4.70 120.64 109.20 1ls8 n GLU 137 Ca 0.00 -1.72 -0.06 0.00 0.00 0.00 0.00 57.16 55.38 1ls8 n GLU 137 Cb 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 31.44 29.74 1ls8 n GLU 137 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1ls8 n ILE 138 N -5.07 -9.22 -1.82 6.31 5.41 -1.26 -4.84 119.36 108.88 1ls8 n ILE 138 Ca 0.15 -0.03 -0.27 0.00 1.00 0.00 0.00 62.75 63.60 1ls8 n ILE 138 Cb 0.60 -6.35 -0.05 0.00 -0.71 0.00 0.00 39.64 33.13 1ls8 n ILE 138 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1ls8 s LEU 139 N -3.88 3.14 -1.24 1.39 1.98 -1.26 -4.87 118.68 113.93 1ls8 s LEU 139 Ca 0.05 0.04 -0.20 0.00 -2.89 0.00 0.00 54.13 51.13 1ls8 s LEU 139 Cb -0.01 -2.54 -0.00 0.00 0.66 0.00 0.00 46.19 44.30 1ls8 s LEU 139 CO 0.78 -3.04 1.82 0.00 -1.89 0.00 0.00 176.35 174.01 1ls8 s ALA 140 N 11.68 2.62 -0.80 5.97 0.00 -1.26 -4.78 121.76 135.19 1ls8 s ALA 140 Ca 0.81 -2.55 0.02 0.00 0.00 0.00 0.00 51.96 50.24 1ls8 s ALA 140 Cb -0.11 -4.66 0.12 0.00 0.00 0.00 0.00 23.12 18.47 1ls8 s ALA 140 CO 0.11 -4.17 1.01 -1.91 0.00 0.00 0.00 175.76 170.80 1ls8 n GLU 141 N 8.37 0.01 0.00 0.00 4.07 -1.26 -5.20 120.64 126.63 1ls8 n GLU 141 Ca 0.47 0.46 0.15 0.00 -0.06 0.00 0.00 57.16 58.18 1ls8 n GLU 141 Cb 0.46 -1.61 0.68 0.00 -0.06 0.00 0.00 31.44 30.91 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40