#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ls8 n GLN 2 N 0.00 0.00 -0.04 1.43 1.13 -1.26 -4.47 117.38 114.17 1ls8 n GLN 2 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 1ls8 n GLN 2 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.27 1ls8 n GLN 2 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1ls8 h GLU 3 N 0.00 -0.04 -0.97 -1.09 4.57 -2.00 -2.88 114.58 112.17 1ls8 h GLU 3 Ca 0.00 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.38 1ls8 h GLU 3 Cb 0.00 0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.51 1ls8 h GLU 3 CO 0.00 0.50 0.61 0.28 -1.18 0.00 0.00 179.01 179.23 1ls8 h VAL 4 N -0.97 0.68 0.83 0.32 2.07 -1.96 0.12 116.25 117.36 1ls8 h VAL 4 Ca -0.00 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1ls8 h VAL 4 Cb 0.57 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1ls8 h VAL 4 CO 0.01 0.11 -0.40 0.24 0.02 0.00 0.00 177.57 177.55 1ls8 h MET 5 N 0.59 -1.08 -0.91 1.57 2.86 -1.91 -0.67 114.93 115.38 1ls8 h MET 5 Ca 0.53 0.07 0.24 0.00 -2.06 0.00 0.00 59.70 58.49 1ls8 h MET 5 Cb 1.06 0.24 -0.13 0.00 0.06 0.00 0.00 31.60 32.83 1ls8 h MET 5 CO -0.28 -0.72 0.38 -0.22 1.06 0.00 0.00 176.91 177.13 1ls8 h LYS 6 N -1.27 0.33 0.00 1.72 1.63 -1.18 0.15 116.57 117.96 1ls8 h LYS 6 Ca -0.11 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1ls8 h LYS 6 Cb 0.86 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 1ls8 h LYS 6 CO 0.19 0.22 0.00 -0.97 -3.45 0.00 0.00 179.45 175.43 1ls8 h ASN 7 N 0.34 0.00 0.00 4.20 -1.24 -0.43 -3.10 115.58 115.34 1ls8 h ASN 7 Ca 0.58 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.56 1ls8 h ASN 7 Cb 1.17 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 40.21 1ls8 h ASN 7 CO -0.58 0.00 -1.72 0.18 -1.29 0.00 0.00 177.43 174.03 1ls8 n LEU 8 N -2.74 0.00 0.00 0.34 4.77 -0.29 -4.68 117.00 114.40 1ls8 n LEU 8 Ca 0.03 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.08 1ls8 n LEU 8 Cb 0.36 0.05 0.45 0.00 -2.33 0.00 0.00 43.42 41.95 1ls8 n LEU 8 CO 0.28 0.05 0.66 -1.54 -1.33 0.00 0.00 177.39 175.50 1ls8 n SER 9 N -2.09 0.00 0.10 -1.43 3.41 0.44 -2.26 113.62 111.80 1ls8 n SER 9 Ca -0.06 -0.50 -0.10 0.00 -0.26 0.00 0.00 58.87 57.96 1ls8 n SER 9 Cb 0.47 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.29 -0.01 1.04 -0.00 -1.83 -3.13 115.31 111.10 1ls8 h LEU 10 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 1ls8 h LEU 10 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 1ls8 h LEU 10 CO 0.00 0.21 0.00 0.59 -0.00 0.00 0.00 178.44 179.24 1ls8 n ASN 11 N -5.01 0.00 -0.35 0.17 3.02 -0.96 -1.16 115.26 110.98 1ls8 n ASN 11 Ca -0.07 0.50 0.06 0.00 -0.03 0.00 0.00 54.58 55.04 1ls8 n ASN 11 Cb 0.24 -0.50 0.22 0.00 -0.61 0.00 0.00 39.78 39.12 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 1.11 0.00 3.10 3.57 -1.54 -3.39 116.94 119.80 1ls8 h PHE 12 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ls8 h PHE 12 Cb 0.10 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.49 1ls8 h PHE 12 CO 0.00 0.47 -0.18 0.41 -2.23 0.00 0.00 178.31 176.78 1ls8 n GLY 13 N -1.35 0.64 0.32 2.40 0.00 -0.77 -4.90 105.19 101.53 1ls8 n GLY 13 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1ls8 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ls8 h LYS 14 N 0.00 0.94 0.00 1.61 1.57 -1.34 -1.65 116.57 117.70 1ls8 h LYS 14 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1ls8 h LYS 14 Cb 1.14 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1ls8 h LYS 14 CO 0.00 0.75 0.00 0.00 -0.57 0.00 0.00 179.45 179.63 1ls8 n ALA 15 N -2.44 1.95 -0.19 3.86 0.00 -1.26 -3.76 120.51 118.66 1ls8 n ALA 15 Ca 0.06 -0.08 0.02 0.00 0.00 0.00 0.00 53.44 53.44 1ls8 n ALA 15 Cb 0.16 -1.23 0.29 0.00 0.00 0.00 0.00 19.45 18.66 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 0.78 -1.13 0.00 5.85 -1.66 -1.95 115.31 117.20 1ls8 h LEU 16 Ca 0.00 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.87 1ls8 h LEU 16 Cb 0.05 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 40.80 1ls8 h LEU 16 CO 0.00 0.55 0.61 -0.78 -0.34 0.00 0.00 178.44 178.48 1ls8 h ASP 17 N 0.92 0.74 0.36 1.25 3.58 -1.80 0.19 116.42 121.65 1ls8 h ASP 17 Ca 0.28 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 1ls8 h ASP 17 Cb -0.01 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 40.97 1ls8 h ASP 17 CO -0.07 0.32 -0.17 -0.33 -2.88 0.00 0.00 179.24 176.11 1ls8 h GLU 18 N 0.76 -0.46 0.00 0.28 5.08 -1.64 -0.88 114.58 117.72 1ls8 h GLU 18 Ca 0.52 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.88 1ls8 h GLU 18 Cb 0.81 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.16 1ls8 h GLU 18 CO -0.29 -0.14 -0.16 0.00 -1.00 0.00 0.00 179.01 177.41 1ls8 h LYS 20 N 0.00 0.19 -0.27 0.00 1.57 -0.58 -1.12 116.57 116.36 1ls8 h LYS 20 Ca -0.00 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1ls8 h LYS 20 Cb 0.32 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 1ls8 h LYS 20 CO 0.02 0.31 0.08 -0.22 -0.57 0.00 0.00 179.45 179.07 1ls8 h LYS 21 N 0.03 0.19 -0.25 3.15 3.11 -0.09 -0.37 116.57 122.33 1ls8 h LYS 21 Ca 0.04 -0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.81 1ls8 h LYS 21 Cb 0.20 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1ls8 h LYS 21 CO -0.00 0.12 -0.07 0.93 -2.81 0.00 0.00 179.45 177.62 1ls8 h GLU 22 N 0.19 0.50 -0.01 1.90 4.39 -0.46 -2.95 114.58 118.14 1ls8 h GLU 22 Ca 0.12 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.62 1ls8 h GLU 22 Cb 0.10 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1ls8 h GLU 22 CO -0.14 0.73 -0.37 -1.33 -1.16 0.00 0.00 179.01 176.74 1ls8 n MET 23 N -4.53 1.00 -3.22 2.33 2.81 -0.45 -4.99 117.12 110.07 1ls8 n MET 23 Ca -0.04 -0.72 -0.10 0.00 -1.81 0.00 0.00 57.70 55.04 1ls8 n MET 23 Cb 0.31 -1.49 0.03 0.00 -0.71 0.00 0.00 33.22 31.37 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 -0.37 -9.12 0.00 2.03 -1.04 -0.32 -5.06 114.28 100.40 1ls8 n THR 24 Ca 0.11 -0.71 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1ls8 n THR 24 Cb 0.40 -6.37 0.00 0.00 -1.82 0.00 0.00 70.33 62.54 1ls8 n THR 24 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ls8 n LEU 25 N -2.56 0.00 -3.92 -4.42 4.77 -0.30 -5.04 117.00 105.53 1ls8 n LEU 25 Ca -0.05 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 1ls8 n LEU 25 Cb 0.56 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.58 1ls8 n LEU 25 CO 0.57 0.00 -0.13 0.42 -1.33 0.00 0.00 177.39 176.92 1ls8 s THR 26 N 1.18 0.14 -0.30 -5.08 -4.23 -1.26 -5.02 115.64 101.07 1ls8 s THR 26 Ca 0.00 -1.34 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 1ls8 s THR 26 Cb 0.00 -1.48 0.30 0.00 1.34 0.00 0.00 72.50 72.66 1ls8 s THR 26 CO 0.00 -0.63 1.76 -0.67 -0.54 0.00 0.00 174.62 174.54 1ls8 n ASP 27 N -0.06 5.05 -0.08 3.99 2.03 -1.26 -3.80 116.55 122.41 1ls8 n ASP 27 Ca -0.13 -3.01 -0.09 0.00 0.52 0.00 0.00 54.79 52.08 1ls8 n ASP 27 Cb 0.62 -0.87 -0.10 0.00 -0.72 0.00 0.00 41.12 40.05 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ls8 n ALA 28 N -0.09 1.64 0.29 -1.67 0.00 -1.26 -4.36 120.51 115.06 1ls8 n ALA 28 Ca 0.33 -0.88 0.14 0.00 0.00 0.00 0.00 53.44 53.03 1ls8 n ALA 28 Cb 0.86 -0.01 0.88 0.00 0.00 0.00 0.00 19.45 21.17 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 0.60 0.00 0.00 3.07 -1.98 -2.48 117.51 116.72 1ls8 h ILE 29 Ca -0.39 -0.01 -0.01 0.00 1.55 0.00 0.00 64.86 66.01 1ls8 h ILE 29 Cb 1.80 1.01 -0.00 0.00 -0.27 0.00 0.00 36.82 39.35 1ls8 h ILE 29 CO -0.00 0.00 -0.03 -1.13 -1.05 0.00 0.00 178.15 175.94 1ls8 h ASN 30 N 0.00 0.00 0.11 2.16 -0.73 -1.81 -1.10 115.58 114.21 1ls8 h ASN 30 Ca -0.00 0.00 -0.37 0.00 1.87 0.00 0.00 56.30 57.80 1ls8 h ASN 30 Cb 0.01 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.57 1ls8 h ASN 30 CO 0.00 0.03 -2.09 -0.62 -0.37 0.00 0.00 177.43 174.38 1ls8 n GLU 31 N -3.64 0.74 0.25 6.67 1.02 -0.95 -4.14 120.64 120.58 1ls8 n GLU 31 Ca -0.03 0.24 0.10 0.00 -0.02 0.00 0.00 57.16 57.45 1ls8 n GLU 31 Cb 0.12 -1.67 0.67 0.00 -0.02 0.00 0.00 31.44 30.54 1ls8 n GLU 31 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1ls8 h ASP 32 N 0.06 0.00 -0.04 1.62 3.32 -1.02 0.90 116.42 121.25 1ls8 h ASP 32 Ca -0.45 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.61 1ls8 h ASP 32 Cb 2.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.56 1ls8 h ASP 32 CO 0.05 0.12 0.18 -0.26 -1.72 0.00 0.00 179.24 177.61 1ls8 h PHE 33 N 0.00 0.00 0.00 4.55 -1.00 -1.76 -3.27 116.94 115.46 1ls8 h PHE 33 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ls8 h PHE 33 Cb 0.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1ls8 h PHE 33 CO 0.00 0.00 0.00 0.98 -1.61 0.00 0.00 178.31 177.68 1ls8 n TYR 34 N -3.17 0.00 0.06 -0.55 9.36 -0.09 -4.89 117.16 117.87 1ls8 n TYR 34 Ca -0.02 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.21 1ls8 n TYR 34 Cb 0.25 0.01 0.03 0.00 -0.63 0.00 0.00 39.34 39.00 1ls8 n TYR 34 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1ls8 n ASN 35 N 0.00 0.00 0.00 2.98 0.23 0.12 -4.39 115.26 114.20 1ls8 n ASN 35 Ca 0.00 0.37 0.00 0.00 -0.53 0.00 0.00 54.58 54.42 1ls8 n ASN 35 Cb 0.21 -0.38 0.00 0.00 -2.08 0.00 0.00 39.78 37.53 1ls8 n ASN 35 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1ls8 n PHE 36 N -1.38 0.00 -0.10 -2.53 3.01 -1.26 -2.59 117.46 112.61 1ls8 n PHE 36 Ca 0.01 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.34 1ls8 n PHE 36 Cb 0.01 -0.19 -0.08 0.00 -0.01 0.00 0.00 39.48 39.21 1ls8 n PHE 36 CO 0.00 0.00 0.00 -1.49 1.01 0.00 0.00 176.76 176.28 1ls8 h TRP 37 N 0.00 -1.49 -4.02 1.38 4.06 -1.98 -3.44 115.95 110.46 1ls8 h TRP 37 Ca 0.00 0.07 -0.50 0.00 2.06 0.00 0.00 58.89 60.52 1ls8 h TRP 37 Cb 0.26 0.70 0.20 0.00 -1.00 0.00 0.00 29.16 29.32 1ls8 h TRP 37 CO 0.00 -0.49 0.18 -1.59 -3.56 0.00 0.00 178.44 172.98 1ls8 s LYS 38 N -5.75 0.60 0.05 0.49 0.00 -1.07 -5.01 119.74 109.05 1ls8 s LYS 38 Ca -0.15 1.34 0.00 0.00 0.00 0.00 0.00 55.97 57.17 1ls8 s LYS 38 Cb 0.09 -1.69 0.00 0.00 0.00 0.00 0.00 37.83 36.23 1ls8 s LYS 38 CO 0.63 -2.85 0.00 -0.85 0.00 0.00 0.00 175.35 172.28 1ls8 n GLU 39 N -4.36 0.00 0.00 1.78 0.28 -1.26 -4.72 120.64 112.36 1ls8 n GLU 39 Ca 0.09 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.17 1ls8 n GLU 39 Cb 0.53 -0.46 0.44 0.00 1.43 0.00 0.00 31.44 33.38 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 3.09 -0.79 3.04 -1.84 0.00 -1.26 -3.89 105.19 103.55 1ls8 n GLY 40 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.00 3.71 0.18 1.61 6.14 -1.26 -5.10 117.35 120.63 1ls8 s TYR 41 Ca 0.22 -2.86 -0.14 0.00 0.64 0.00 0.00 57.07 54.93 1ls8 s TYR 41 Cb 0.10 -3.01 -0.07 0.00 0.42 0.00 0.00 41.96 39.40 1ls8 s TYR 41 CO 0.17 -0.95 0.58 -2.00 0.64 0.00 0.00 175.55 174.00 1ls8 s GLU 42 N 0.93 3.98 -0.99 4.97 2.12 -1.25 -4.83 118.70 123.62 1ls8 s GLU 42 Ca 0.10 0.51 -0.24 0.00 0.36 0.00 0.00 54.97 55.70 1ls8 s GLU 42 Cb -0.20 -2.83 -0.08 0.00 0.26 0.00 0.00 34.13 31.27 1ls8 s GLU 42 CO -0.07 0.41 2.01 0.42 -0.54 0.00 0.00 175.26 177.50 1ls8 s ILE 43 N -1.58 3.39 0.20 -3.70 1.01 -1.26 -4.74 121.20 114.53 1ls8 s ILE 43 Ca 0.41 -0.47 0.13 0.00 0.00 0.00 0.00 60.65 60.73 1ls8 s ILE 43 Cb -0.14 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.29 1ls8 s ILE 43 CO 0.20 -0.78 1.62 0.07 0.00 0.00 0.00 174.94 176.04 1ls8 h LYS 44 N 11.00 0.00 -7.11 2.79 2.10 -2.03 -3.46 116.57 119.87 1ls8 h LYS 44 Ca 0.12 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.23 1ls8 h LYS 44 Cb 0.98 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.44 1ls8 h LYS 44 CO 1.18 0.55 0.47 -0.80 -2.00 0.00 0.00 179.45 178.84 1ls8 s ASN 45 N -6.67 4.97 0.00 7.07 0.01 -1.26 -4.96 114.94 114.10 1ls8 s ASN 45 Ca -0.00 2.41 0.00 0.00 -0.71 0.00 0.00 52.86 54.56 1ls8 s ASN 45 Cb 0.12 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.18 1ls8 s ASN 45 CO 0.74 -1.75 0.00 0.54 -1.51 0.00 0.00 177.10 175.12 1ls8 n ARG 46 N -1.80 2.67 0.32 -0.60 5.12 -1.26 -4.73 116.66 116.37 1ls8 n ARG 46 Ca 0.14 0.00 0.21 0.00 -1.93 0.00 0.00 57.85 56.27 1ls8 n ARG 46 Cb 0.49 -0.95 1.07 0.00 -1.16 0.00 0.00 32.46 31.92 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 0.78 5.56 5.08 -1.96 -1.95 114.58 122.09 1ls8 h GLU 47 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1ls8 h GLU 47 Cb 0.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ls8 h GLU 47 CO 0.00 0.01 -0.47 1.15 -1.00 0.00 0.00 179.01 178.70 1ls8 h THR 48 N 0.00 0.05 0.00 1.13 2.02 -1.93 -1.34 112.91 112.85 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 0.11 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1ls8 h THR 48 CO 0.00 0.00 -0.01 1.23 0.37 0.00 0.00 175.52 177.11 1ls8 h GLY 49 N -1.17 0.00 0.86 2.16 0.00 -1.56 0.20 103.07 103.55 1ls8 h GLY 49 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1ls8 h GLY 49 CO 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 176.54 176.40 1ls8 h ALA 51 N -0.44 1.09 -0.44 0.00 0.00 -0.16 -1.33 119.26 117.98 1ls8 h ALA 51 Ca -0.07 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.79 1ls8 h ALA 51 Cb 0.59 -0.34 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 1ls8 h ALA 51 CO 0.12 0.60 0.04 0.82 0.00 0.00 0.00 179.25 180.83 1ls8 h ILE 52 N 1.18 0.71 -0.27 0.00 2.04 -0.67 0.33 117.51 120.84 1ls8 h ILE 52 Ca 0.30 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 66.08 1ls8 h ILE 52 Cb 0.04 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1ls8 h ILE 52 CO -0.05 0.03 0.07 -0.03 0.00 0.00 0.00 178.15 178.17 1ls8 h MET 53 N 0.16 0.43 -0.50 2.37 4.05 -0.37 0.48 114.93 121.55 1ls8 h MET 53 Ca 0.22 -0.10 0.10 0.00 -0.28 0.00 0.00 59.70 59.64 1ls8 h MET 53 Cb 0.30 -0.06 -0.10 0.00 -0.80 0.00 0.00 31.60 30.94 1ls8 h MET 53 CO -0.32 0.51 -0.16 0.00 0.23 0.00 0.00 176.91 177.17 1ls8 h LEU 55 N -0.04 -0.26 -0.71 0.00 3.38 -0.62 -1.05 115.31 115.99 1ls8 h LEU 55 Ca 0.24 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.13 1ls8 h LEU 55 Cb 0.41 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1ls8 h LEU 55 CO -0.54 -0.12 -0.41 0.28 0.09 0.00 0.00 178.44 177.75 1ls8 h SER 56 N -0.11 0.54 0.20 -0.43 0.02 0.30 0.12 113.55 114.19 1ls8 h SER 56 Ca 0.06 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.79 1ls8 h SER 56 Cb 0.20 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1ls8 h SER 56 CO -0.15 0.89 -0.30 0.74 -1.14 0.00 0.00 176.83 176.87 1ls8 h THR 57 N 0.42 0.37 0.00 -2.27 2.02 -0.87 0.61 112.91 113.18 1ls8 h THR 57 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.22 1ls8 h THR 57 Cb 0.89 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1ls8 h THR 57 CO 0.08 0.00 0.00 0.50 0.37 0.00 0.00 175.52 176.47 1ls8 h LYS 58 N -0.56 0.00 -0.22 6.66 1.63 0.05 -2.24 116.57 121.89 1ls8 h LYS 58 Ca 0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1ls8 h LYS 58 Cb 0.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 1ls8 h LYS 58 CO -0.12 0.00 0.00 1.28 -3.45 0.00 0.00 179.45 177.16 1ls8 n LEU 59 N -2.49 2.87 -3.86 5.20 4.77 0.28 -4.99 117.00 118.78 1ls8 n LEU 59 Ca 0.02 -1.35 -0.29 0.00 -0.03 0.00 0.00 56.01 54.36 1ls8 n LEU 59 Cb 0.27 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1ls8 n LEU 59 CO 0.23 0.60 0.10 0.59 -1.33 0.00 0.00 177.39 177.57 1ls8 n ASN 60 N 1.07 -4.43 -0.11 -1.43 3.02 -0.79 -4.91 115.26 107.68 1ls8 n ASN 60 Ca 0.14 -0.77 -0.18 0.00 -0.03 0.00 0.00 54.58 53.74 1ls8 n ASN 60 Cb 0.49 -4.00 -0.12 0.00 -0.61 0.00 0.00 39.78 35.54 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 -4.66 0.66 -4.21 3.52 0.00 0.14 -4.76 117.12 107.82 1ls8 n MET 61 Ca -0.01 0.16 -0.35 0.00 -0.00 0.00 0.00 57.70 57.51 1ls8 n MET 61 Cb 0.55 -1.54 -0.10 0.00 0.00 0.00 0.00 33.22 32.13 1ls8 n MET 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 1ls8 s LEU 62 N -6.54 3.64 1.08 -0.89 1.43 -1.17 -4.24 118.68 111.98 1ls8 s LEU 62 Ca -0.33 0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 1ls8 s LEU 62 Cb 0.09 -1.88 0.23 0.00 0.03 0.00 0.00 46.19 44.66 1ls8 s LEU 62 CO 0.63 0.25 1.01 0.47 0.23 0.00 0.00 176.35 178.93 1ls8 n ASP 63 N 3.03 -1.07 0.05 2.29 8.00 -0.51 -4.65 116.55 123.69 1ls8 n ASP 63 Ca -0.18 0.05 0.08 0.00 0.71 0.00 0.00 54.79 55.45 1ls8 n ASP 63 Cb 0.53 -1.32 0.52 0.00 -0.02 0.00 0.00 41.12 40.82 1ls8 n ASP 63 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1ls8 h PRO 64 N -2.38 0.32 0.00 -0.24 0.11 -1.99 -0.88 132.00 126.94 1ls8 h PRO 64 Ca -0.55 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.53 1ls8 h PRO 64 Cb 1.31 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ls8 h PRO 64 CO 0.46 0.21 -0.05 0.93 -0.21 0.00 0.00 178.00 179.34 1ls8 h GLU 65 N 0.33 0.00 0.00 1.05 3.07 -2.05 -3.47 114.58 113.51 1ls8 h GLU 65 Ca 0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1ls8 h GLU 65 Cb 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.08 1ls8 h GLU 65 CO -0.03 0.05 0.00 0.41 -1.40 0.00 0.00 179.01 178.04 1ls8 n GLY 66 N 0.79 0.90 3.82 -3.84 0.00 -0.34 -5.10 105.19 101.41 1ls8 n GLY 66 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.20 2.97 -0.12 1.61 0.01 -1.26 -4.64 114.94 111.31 1ls8 s ASN 67 Ca 0.00 0.62 -0.02 0.00 -0.71 0.00 0.00 52.86 52.75 1ls8 s ASN 67 Cb 0.00 -0.92 -0.03 0.00 0.41 0.00 0.00 41.25 40.72 1ls8 s ASN 67 CO 0.00 -2.85 -0.07 -0.22 -1.51 0.00 0.00 177.10 172.45 1ls8 s LEU 68 N -6.10 3.12 -0.02 0.60 1.98 -1.26 -1.43 118.68 115.57 1ls8 s LEU 68 Ca 0.69 -0.14 -0.03 0.00 -2.89 0.00 0.00 54.13 51.76 1ls8 s LEU 68 Cb -0.09 -1.72 -0.04 0.00 0.66 0.00 0.00 46.19 45.00 1ls8 s LEU 68 CO 0.53 0.23 0.17 -2.28 -1.89 0.00 0.00 176.35 173.11 1ls8 s HIS 69 N 0.01 3.53 0.03 5.38 5.65 -1.26 -5.02 115.29 123.61 1ls8 s HIS 69 Ca -0.01 0.36 -0.29 0.00 0.25 0.00 0.00 55.06 55.36 1ls8 s HIS 69 Cb -0.14 -1.83 -0.16 0.00 -1.18 0.00 0.00 32.58 29.27 1ls8 s HIS 69 CO 0.03 0.65 1.31 1.25 -0.65 0.00 0.00 174.74 177.33 1ls8 h HIS 70 N 3.92 -0.99 -0.30 3.88 2.76 -1.97 -2.83 115.15 119.63 1ls8 h HIS 70 Ca -0.49 -0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 57.50 1ls8 h HIS 70 Cb 1.19 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 30.47 1ls8 h HIS 70 CO 0.67 -0.61 -0.42 0.78 -1.30 0.00 0.00 177.93 177.05 1ls8 h GLY 71 N -1.18 0.81 2.00 5.26 0.00 -1.98 -0.18 103.07 107.81 1ls8 h GLY 71 Ca -0.11 -0.84 -0.10 0.00 0.00 0.00 0.00 47.33 46.28 1ls8 h GLY 71 CO 0.18 0.75 -0.50 -0.57 0.00 0.00 0.00 176.54 176.40 1ls8 h ASN 72 N 0.60 0.00 0.29 0.19 -1.24 -1.94 -1.22 115.58 112.27 1ls8 h ASN 72 Ca 0.05 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.80 1ls8 h ASN 72 Cb 0.97 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.03 1ls8 h ASN 72 CO 0.09 0.50 -1.07 0.00 -1.29 0.00 0.00 177.43 175.66 1ls8 h ALA 73 N 1.50 0.21 -0.53 1.57 0.00 -1.35 -3.25 119.26 117.40 1ls8 h ALA 73 Ca -0.00 -0.75 0.04 0.00 0.00 0.00 0.00 54.91 54.19 1ls8 h ALA 73 Cb 1.12 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1ls8 h ALA 73 CO 0.06 0.80 0.35 1.98 0.00 0.00 0.00 179.25 182.44 1ls8 h MET 74 N 0.24 0.56 0.00 0.00 1.85 -0.73 -1.27 114.93 115.58 1ls8 h MET 74 Ca -0.12 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 58.92 1ls8 h MET 74 Cb 1.73 -0.13 -0.00 0.00 0.43 0.00 0.00 31.60 33.63 1ls8 h MET 74 CO 0.19 0.37 -0.06 0.93 -0.40 0.00 0.00 176.91 177.95 1ls8 h GLU 75 N 0.58 0.00 0.16 0.39 5.08 -1.26 0.71 114.58 120.24 1ls8 h GLU 75 Ca 0.22 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1ls8 h GLU 75 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1ls8 h GLU 75 CO -0.06 0.06 -0.08 0.35 -1.00 0.00 0.00 179.01 178.29 1ls8 h PHE 76 N 0.00 -0.20 0.00 4.33 3.04 -1.33 -3.35 116.94 119.44 1ls8 h PHE 76 Ca -0.00 -0.00 -0.04 0.00 3.98 0.00 0.00 57.97 61.90 1ls8 h PHE 76 Cb 0.37 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 1ls8 h PHE 76 CO 0.00 0.20 -0.20 0.00 -2.02 0.00 0.00 178.31 176.29 1ls8 h ALA 77 N 0.07 0.93 0.00 2.41 0.00 -1.33 -3.13 119.26 118.21 1ls8 h ALA 77 Ca -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1ls8 h ALA 77 Cb 0.48 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1ls8 h ALA 77 CO 0.04 0.24 -0.14 1.57 0.00 0.00 0.00 179.25 180.96 1ls8 h LYS 78 N 0.00 0.00 -0.79 0.00 2.10 -1.00 -2.87 116.57 114.02 1ls8 h LYS 78 Ca -0.00 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.69 1ls8 h LYS 78 Cb 0.94 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.22 1ls8 h LYS 78 CO 0.03 0.14 0.49 0.87 -2.00 0.00 0.00 179.45 178.98 1ls8 h LYS 79 N 0.00 0.89 0.00 0.07 1.79 -1.69 0.15 116.57 117.78 1ls8 h LYS 79 Ca -0.00 -0.05 -0.19 0.00 -2.18 0.00 0.00 60.65 58.23 1ls8 h LYS 79 Cb 0.53 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 1ls8 h LYS 79 CO 0.02 0.59 -0.92 1.25 -1.08 0.00 0.00 179.45 179.31 1ls8 h HIS 80 N 0.92 0.00 -0.39 -1.35 2.76 -1.81 -3.49 115.15 111.80 1ls8 h HIS 80 Ca 0.33 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1ls8 h HIS 80 Cb 0.10 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1ls8 h HIS 80 CO -0.04 0.86 0.00 0.41 -1.30 0.00 0.00 177.93 177.86 1ls8 n GLY 81 N 1.33 0.78 2.20 5.26 0.00 0.04 -5.12 105.19 109.67 1ls8 n GLY 81 Ca -0.01 -0.71 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 1ls8 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ls8 n ALA 82 N -0.16 -3.38 -1.76 4.61 0.00 -1.09 -5.01 120.51 113.72 1ls8 n ALA 82 Ca 0.00 -1.06 -0.31 0.00 0.00 0.00 0.00 53.44 52.07 1ls8 n ALA 82 Cb 0.06 -0.09 0.01 0.00 0.00 0.00 0.00 19.45 19.44 1ls8 n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ls8 s ASP 83 N -2.87 6.02 0.05 0.00 1.11 -1.26 -4.98 116.67 114.73 1ls8 s ASP 83 Ca 0.46 1.55 -0.18 0.00 0.18 0.00 0.00 52.55 54.57 1ls8 s ASP 83 Cb -0.07 -2.49 -0.15 0.00 1.07 0.00 0.00 42.92 41.27 1ls8 s ASP 83 CO 0.38 -1.01 1.29 -0.08 1.18 0.00 0.00 175.17 176.93 1ls8 h GLU 84 N -0.09 0.51 0.17 8.23 4.81 -1.98 -2.76 114.58 123.47 1ls8 h GLU 84 Ca -0.45 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 58.42 1ls8 h GLU 84 Cb 1.20 0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1ls8 h GLU 84 CO 0.60 0.97 -0.08 1.15 -0.73 0.00 0.00 179.01 180.91 1ls8 h THR 85 N 0.14 0.90 -0.31 0.32 2.02 -1.98 0.20 112.91 114.20 1ls8 h THR 85 Ca -0.00 -0.30 0.03 0.00 0.77 0.00 0.00 66.41 66.91 1ls8 h THR 85 Cb 0.98 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 1ls8 h THR 85 CO 0.08 0.07 0.11 -0.03 0.37 0.00 0.00 175.52 176.12 1ls8 h MET 86 N -0.38 0.24 -0.16 6.66 1.85 -1.97 -0.44 114.93 120.73 1ls8 h MET 86 Ca -0.02 -0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 58.98 1ls8 h MET 86 Cb 0.29 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.26 1ls8 h MET 86 CO 0.04 0.16 -0.23 0.00 -0.40 0.00 0.00 176.91 176.47 1ls8 h ALA 87 N 1.19 1.30 0.23 0.39 0.00 -1.24 -2.52 119.26 118.62 1ls8 h ALA 87 Ca 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ls8 h ALA 87 Cb 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ls8 h ALA 87 CO -0.14 0.47 -0.11 0.37 0.00 0.00 0.00 179.25 179.84 1ls8 h GLN 88 N 0.27 -0.30 -0.45 0.00 5.75 -0.07 -2.81 115.11 117.49 1ls8 h GLN 88 Ca 0.04 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.65 1ls8 h GLN 88 Cb 0.57 0.07 -0.08 0.00 1.07 0.00 0.00 27.48 29.11 1ls8 h GLN 88 CO 0.04 0.02 -0.01 1.96 -2.65 0.00 0.00 178.83 178.18 1ls8 h GLN 89 N -0.63 0.10 0.00 1.69 1.08 -0.89 0.11 115.11 116.56 1ls8 h GLN 89 Ca -0.03 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1ls8 h GLN 89 Cb 0.45 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1ls8 h GLN 89 CO 0.05 0.06 0.00 1.28 -0.95 0.00 0.00 178.83 179.28 1ls8 n LEU 90 N -5.23 0.71 -0.07 1.46 4.32 -0.97 -0.26 117.00 116.97 1ls8 n LEU 90 Ca 0.04 0.68 -0.11 0.00 -0.02 0.00 0.00 56.01 56.60 1ls8 n LEU 90 Cb 0.24 -0.59 -0.08 0.00 -1.62 0.00 0.00 43.42 41.37 1ls8 n LEU 90 CO 0.17 -0.60 0.03 0.40 -1.22 0.00 0.00 177.39 176.17 1ls8 h ILE 91 N 0.00 0.95 -0.37 -0.08 2.04 -0.97 -3.34 117.51 115.74 1ls8 h ILE 91 Ca 0.00 -1.80 0.11 0.00 1.00 0.00 0.00 64.86 64.16 1ls8 h ILE 91 Cb 0.36 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.30 1ls8 h ILE 91 CO 0.00 0.32 0.30 -0.78 0.00 0.00 0.00 178.15 177.99 1ls8 h ASP 92 N -1.00 0.00 -0.07 1.72 1.82 0.28 0.31 116.42 119.49 1ls8 h ASP 92 Ca -0.07 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.56 1ls8 h ASP 92 Cb 0.74 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.75 1ls8 h ASP 92 CO -0.04 0.00 -0.02 0.40 -1.61 0.00 0.00 179.24 177.97 1ls8 h ILE 93 N 0.00 1.29 -0.45 2.25 2.04 -0.81 -2.47 117.51 119.36 1ls8 h ILE 93 Ca 0.18 -0.93 0.09 0.00 1.00 0.00 0.00 64.86 65.20 1ls8 h ILE 93 Cb 0.77 1.78 -0.08 0.00 -0.74 0.00 0.00 36.82 38.56 1ls8 h ILE 93 CO -0.00 0.26 -0.01 1.62 0.00 0.00 0.00 178.15 180.02 1ls8 h VAL 94 N -0.21 0.64 -0.84 1.67 3.04 -1.06 0.81 116.25 120.30 1ls8 h VAL 94 Ca 0.02 -0.04 0.03 0.00 -1.01 0.00 0.00 66.70 65.70 1ls8 h VAL 94 Cb 0.41 0.53 -0.05 0.00 -2.01 0.00 0.00 31.29 30.18 1ls8 h VAL 94 CO 0.01 0.02 0.55 -0.74 -1.01 0.00 0.00 177.57 176.40 1ls8 h HIS 95 N 0.10 1.02 0.00 3.17 6.17 -1.25 0.16 115.15 124.52 1ls8 h HIS 95 Ca 0.23 0.02 -0.12 0.00 0.71 0.00 0.00 60.37 61.21 1ls8 h HIS 95 Cb 0.33 -0.34 0.01 0.00 2.52 0.00 0.00 27.41 29.93 1ls8 h HIS 95 CO -0.30 0.61 -0.46 0.78 0.71 0.00 0.00 177.93 179.26 1ls8 h GLY 96 N 1.06 0.34 0.92 5.26 0.00 -1.02 -3.09 103.07 106.55 1ls8 h GLY 96 Ca 0.32 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 47.01 1ls8 h GLY 96 CO -0.09 0.54 0.08 0.00 0.00 0.00 0.00 176.54 177.07 1ls8 h GLU 98 N 0.45 0.39 0.00 0.00 5.08 -0.88 0.45 114.58 120.06 1ls8 h GLU 98 Ca 0.11 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1ls8 h GLU 98 Cb 0.32 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1ls8 h GLU 98 CO 0.00 0.27 -0.33 -0.22 -1.00 0.00 0.00 179.01 177.73 1ls8 h LYS 99 N 0.40 0.00 0.00 2.33 3.11 -1.24 -3.22 116.57 117.95 1ls8 h LYS 99 Ca 0.11 0.00 -0.25 0.00 -2.81 0.00 0.00 60.65 57.70 1ls8 h LYS 99 Cb -0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.16 1ls8 h LYS 99 CO -0.02 0.33 -2.02 0.45 -2.81 0.00 0.00 179.45 175.38 1ls8 n SER 100 N -3.50 0.29 -4.34 4.20 2.88 -0.65 -4.78 113.62 107.72 1ls8 n SER 100 Ca -0.00 0.13 -0.45 0.00 -1.33 0.00 0.00 58.87 57.22 1ls8 n SER 100 Cb 0.49 0.88 -0.05 0.00 -0.75 0.00 0.00 64.21 64.78 1ls8 n SER 100 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ls8 s THR 101 N -2.79 5.03 0.79 2.46 2.01 0.15 -5.07 115.64 118.21 1ls8 s THR 101 Ca -0.07 -1.23 -0.13 0.00 0.31 0.00 0.00 61.69 60.56 1ls8 s THR 101 Cb 0.08 -4.40 0.19 0.00 0.01 0.00 0.00 72.50 68.39 1ls8 s THR 101 CO 0.84 -0.97 0.82 -0.81 -0.69 0.00 0.00 174.62 173.81 1ls8 n PRO 102 N 5.75 -1.91 -1.92 4.92 -0.04 -1.26 -4.58 135.00 135.96 1ls8 n PRO 102 Ca -0.12 -1.30 -0.41 0.00 -0.04 0.00 0.00 63.50 61.63 1ls8 n PRO 102 Cb 0.41 -1.07 -0.01 0.00 -0.04 0.00 0.00 33.50 32.79 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 -3.37 3.61 0.21 0.55 0.00 -1.26 -4.86 121.76 116.64 1ls8 s ALA 103 Ca 0.51 1.44 0.09 0.00 0.00 0.00 0.00 51.96 53.99 1ls8 s ALA 103 Cb -0.04 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1ls8 s ALA 103 CO 0.38 -0.86 -0.03 1.21 0.00 0.00 0.00 175.76 176.46 1ls8 s ASN 104 N 0.07 4.53 0.00 0.00 2.47 -1.26 -5.01 114.94 115.74 1ls8 s ASN 104 Ca 0.56 -0.55 0.15 0.00 0.42 0.00 0.00 52.86 53.45 1ls8 s ASN 104 Cb -0.44 -0.86 0.90 0.00 -1.45 0.00 0.00 41.25 39.40 1ls8 s ASN 104 CO 0.52 0.06 1.35 0.47 -3.72 0.00 0.00 177.10 175.78 1ls8 n ASP 105 N -0.39 0.00 -3.84 -4.21 8.00 -1.26 -4.23 116.55 110.62 1ls8 n ASP 105 Ca -0.09 -0.41 -0.28 0.00 0.71 0.00 0.00 54.79 54.73 1ls8 n ASP 105 Cb 0.57 -0.04 -0.16 0.00 -0.02 0.00 0.00 41.12 41.46 1ls8 n ASP 105 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ls8 s ASP 106 N -2.08 2.85 0.64 -2.24 -1.08 -1.26 -5.01 116.67 108.49 1ls8 s ASP 106 Ca 0.22 -0.71 0.36 0.00 -0.52 0.00 0.00 52.55 51.90 1ls8 s ASP 106 Cb 0.11 -0.81 1.98 0.00 -1.46 0.00 0.00 42.92 42.74 1ls8 s ASP 106 CO 0.19 -0.22 2.17 0.11 0.52 0.00 0.00 175.17 177.94 1ls8 h LYS 107 N 8.15 0.00 -0.10 4.34 6.56 -1.99 -0.44 116.57 133.10 1ls8 h LYS 107 Ca -0.21 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.32 1ls8 h LYS 107 Cb 1.11 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.77 1ls8 h LYS 107 CO 0.37 0.00 -0.17 0.00 -2.06 0.00 0.00 179.45 177.59 1ls8 h ILE 109 N -0.15 1.26 0.02 0.00 5.03 -1.53 -0.51 117.51 121.63 1ls8 h ILE 109 Ca 0.01 -1.02 0.01 0.00 -0.12 0.00 0.00 64.86 63.74 1ls8 h ILE 109 Cb 0.75 0.66 -0.02 0.00 -3.03 0.00 0.00 36.82 35.18 1ls8 h ILE 109 CO 0.04 0.38 -0.09 -0.25 -0.68 0.00 0.00 178.15 177.55 1ls8 h TRP 110 N 0.98 -0.24 0.05 1.37 7.01 -1.08 -1.61 115.95 122.44 1ls8 h TRP 110 Ca 0.20 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.23 1ls8 h TRP 110 Cb 0.43 0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 1ls8 h TRP 110 CO 0.03 -0.15 -0.31 1.15 -2.79 0.00 0.00 178.44 176.37 1ls8 h THR 111 N -0.17 0.32 -0.85 2.65 2.02 -0.79 -2.61 112.91 113.48 1ls8 h THR 111 Ca 0.03 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.33 1ls8 h THR 111 Cb 0.21 0.32 -0.08 0.00 -1.74 0.00 0.00 68.15 66.86 1ls8 h THR 111 CO -0.08 0.00 0.47 -0.07 0.37 0.00 0.00 175.52 176.21 1ls8 h LEU 112 N -0.50 0.64 -0.20 2.58 3.38 -0.89 0.25 115.31 120.57 1ls8 h LEU 112 Ca 0.05 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ls8 h LEU 112 Cb 0.56 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1ls8 h LEU 112 CO -0.23 0.32 0.12 1.23 0.09 0.00 0.00 178.44 179.98 1ls8 h GLY 113 N 0.74 0.27 1.01 0.83 0.00 -0.91 0.17 103.07 105.18 1ls8 h GLY 113 Ca 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.67 1ls8 h GLY 113 CO -0.30 0.09 0.46 -2.08 0.00 0.00 0.00 176.54 174.71 1ls8 h VAL 114 N 0.25 1.21 -0.89 4.60 2.07 -1.27 -1.67 116.25 120.56 1ls8 h VAL 114 Ca 0.08 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.13 1ls8 h VAL 114 Cb -0.01 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 29.88 1ls8 h VAL 114 CO -0.03 0.22 0.58 0.00 0.02 0.00 0.00 177.57 178.36 1ls8 h ALA 115 N 1.24 1.12 0.29 1.67 0.00 0.84 0.17 119.26 124.60 1ls8 h ALA 115 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1ls8 h ALA 115 Cb -0.03 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.40 1ls8 h ALA 115 CO -0.05 0.53 -0.14 1.15 0.00 0.00 0.00 179.25 180.74 1ls8 h THR 116 N 1.20 0.69 -1.00 0.00 2.02 -0.59 -2.96 112.91 112.27 1ls8 h THR 116 Ca 0.32 -0.68 0.11 0.00 0.77 0.00 0.00 66.41 66.94 1ls8 h THR 116 Cb -0.13 1.02 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 1ls8 h THR 116 CO -0.07 0.13 0.63 0.00 0.37 0.00 0.00 175.52 176.58 1ls8 h PHE 118 N 1.02 -0.20 -0.42 0.00 3.04 -0.70 -1.14 116.94 118.53 1ls8 h PHE 118 Ca 0.49 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.39 1ls8 h PHE 118 Cb 0.45 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 39.00 1ls8 h PHE 118 CO -0.00 -0.12 0.06 0.87 -2.02 0.00 0.00 178.31 177.10 1ls8 h LYS 119 N -0.22 0.64 -0.19 1.11 6.56 -1.25 -1.34 116.57 121.87 1ls8 h LYS 119 Ca -0.02 -0.13 -0.00 0.00 -1.06 0.00 0.00 60.65 59.44 1ls8 h LYS 119 Cb 0.17 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.72 1ls8 h LYS 119 CO 0.04 0.61 0.11 0.00 -2.06 0.00 0.00 179.45 178.14 1ls8 h ALA 120 N 1.46 0.24 -0.15 3.86 0.00 -0.87 -1.62 119.26 122.17 1ls8 h ALA 120 Ca 0.14 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1ls8 h ALA 120 Cb 0.29 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ls8 h ALA 120 CO 0.00 -0.23 0.02 0.93 0.00 0.00 0.00 179.25 179.98 1ls8 h GLU 121 N 0.21 0.08 -0.47 0.00 4.39 -0.96 -1.44 114.58 116.40 1ls8 h GLU 121 Ca 0.07 -0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.90 1ls8 h GLU 121 Cb 0.06 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1ls8 h GLU 121 CO -0.01 0.05 0.34 0.82 -1.16 0.00 0.00 179.01 179.05 1ls8 h ILE 122 N 0.08 0.75 0.04 3.13 1.08 -0.95 -0.10 117.51 121.54 1ls8 h ILE 122 Ca 0.07 0.00 -0.16 0.00 -0.39 0.00 0.00 64.86 64.38 1ls8 h ILE 122 Cb 0.07 0.76 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1ls8 h ILE 122 CO -0.10 0.00 -0.81 -0.74 -0.69 0.00 0.00 178.15 175.82 1ls8 h HIS 123 N 0.00 0.16 0.00 1.37 2.76 -0.79 -0.61 115.15 118.04 1ls8 h HIS 123 Ca 0.22 -0.12 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1ls8 h HIS 123 Cb 0.90 -0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.85 1ls8 h HIS 123 CO 0.00 1.31 -0.12 1.57 -1.30 0.00 0.00 177.93 179.39 1ls8 h LYS 124 N -0.77 0.00 0.00 5.26 5.09 -1.05 -1.39 116.57 123.72 1ls8 h LYS 124 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.55 1ls8 h LYS 124 Cb 1.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.67 1ls8 h LYS 124 CO -0.03 0.12 0.00 1.28 -2.09 0.00 0.00 179.45 178.73 1ls8 n LEU 125 N -3.72 0.00 -2.05 7.07 4.77 -0.07 -4.88 117.00 118.11 1ls8 n LEU 125 Ca -0.02 0.37 -0.16 0.00 -0.03 0.00 0.00 56.01 56.16 1ls8 n LEU 125 Cb 0.23 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1ls8 n LEU 125 CO 0.31 -0.16 -0.12 -3.20 -1.33 0.00 0.00 177.39 172.88 1ls8 n ASN 126 N -1.37 -4.91 -2.07 -1.43 5.15 -0.52 -4.93 115.26 105.18 1ls8 n ASN 126 Ca 0.06 -0.10 -0.27 0.00 -0.60 0.00 0.00 54.58 53.68 1ls8 n ASN 126 Cb 0.15 -3.91 0.08 0.00 -0.53 0.00 0.00 39.78 35.58 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 -4.10 2.78 -3.03 1.20 8.01 -0.24 -4.69 117.44 117.37 1ls8 n TRP 127 Ca -0.15 -2.50 -0.23 0.00 -1.31 0.00 0.00 57.50 53.32 1ls8 n TRP 127 Cb 0.62 -0.92 -0.03 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 n ALA 128 N -0.89 3.53 -0.01 6.99 0.00 -1.25 -4.81 120.51 124.06 1ls8 n ALA 128 Ca 0.53 -4.11 -0.12 0.00 0.00 0.00 0.00 53.44 49.74 1ls8 n ALA 128 Cb 0.89 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 19.45 1ls8 n ALA 128 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ls8 h PRO 129 N 2.98 0.11 0.00 0.00 0.13 -1.96 -3.48 132.00 129.77 1ls8 h PRO 129 Ca 0.12 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1ls8 h PRO 129 Cb 0.73 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1ls8 h PRO 129 CO 0.68 0.34 0.00 0.45 -0.23 0.00 0.00 178.00 179.24 1ls8 n SER 130 N -4.89 0.00 0.00 1.44 2.88 -1.26 -4.95 113.62 106.84 1ls8 n SER 130 Ca -0.07 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.49 1ls8 n SER 130 Cb 0.16 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.70 1ls8 n SER 130 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1ls8 n MET 131 N 0.00 0.01 0.25 -1.46 0.00 -1.26 -1.14 117.12 113.52 1ls8 n MET 131 Ca 0.00 0.39 0.09 0.00 0.00 0.00 0.00 57.70 58.18 1ls8 n MET 131 Cb 0.00 -1.50 0.65 0.00 0.00 0.00 0.00 33.22 32.37 1ls8 n MET 131 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1ls8 h ASP 132 N 0.00 0.00 -2.49 3.17 5.19 -1.93 -3.48 116.42 116.88 1ls8 h ASP 132 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1ls8 h ASP 132 Cb 0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 1ls8 h ASP 132 CO 0.00 0.10 -0.25 0.55 -3.12 0.00 0.00 179.24 176.52 1ls8 n VAL 133 N -4.16 -0.55 -0.13 -1.35 3.14 -0.29 -4.38 118.33 110.61 1ls8 n VAL 133 Ca -0.03 0.12 -0.11 0.00 -2.96 0.00 0.00 64.34 61.36 1ls8 n VAL 133 Cb 0.18 -0.88 -0.08 0.00 -1.06 0.00 0.00 33.84 31.99 1ls8 n VAL 133 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ls8 h ALA 134 N 2.00 -0.69 -2.86 1.55 0.00 -1.93 -3.45 119.26 113.88 1ls8 h ALA 134 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1ls8 h ALA 134 Cb 0.25 1.08 -0.08 0.00 0.00 0.00 0.00 17.79 19.03 1ls8 h ALA 134 CO 0.00 -0.92 -0.10 0.54 0.00 0.00 0.00 179.25 178.77 1ls8 s VAL 135 N -5.20 0.00 0.19 0.00 0.11 -1.26 -4.64 120.40 109.60 1ls8 s VAL 135 Ca -0.12 -1.40 0.00 0.00 -2.93 0.00 0.00 61.98 57.53 1ls8 s VAL 135 Cb 0.07 -2.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.60 1ls8 s VAL 135 CO 0.51 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.89 1ls8 n GLY 136 N -0.42 -1.73 0.00 6.54 0.00 -1.26 -4.83 105.19 103.49 1ls8 n GLY 136 Ca -0.02 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.85 0.00 -3.73 1.61 0.28 -1.26 -5.03 120.64 109.66 1ls8 n GLU 137 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1ls8 n GLU 137 Cb 0.35 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.07 1ls8 n GLU 137 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1ls8 s ILE 138 N -2.20 0.84 -0.39 3.84 1.01 -1.26 -4.98 121.20 118.06 1ls8 s ILE 138 Ca 0.00 -1.35 0.12 0.00 0.00 0.00 0.00 60.65 59.42 1ls8 s ILE 138 Cb 0.00 -1.63 0.38 0.00 0.01 0.00 0.00 42.46 41.22 1ls8 s ILE 138 CO 0.00 -0.66 0.83 0.00 0.00 0.00 0.00 174.94 175.11 1ls8 n LEU 139 N 4.86 1.69 -4.22 2.97 -0.00 -1.26 -5.08 117.00 115.96 1ls8 n LEU 139 Ca -0.02 -4.82 -0.33 0.00 -0.00 0.00 0.00 56.01 50.83 1ls8 n LEU 139 Cb 0.42 0.41 -0.16 0.00 -0.00 0.00 0.00 43.42 44.09 1ls8 n LEU 139 CO 0.11 2.13 -0.53 0.00 -0.00 0.00 0.00 177.39 179.11 1ls8 s ALA 140 N -2.79 2.32 -0.02 1.47 0.00 -1.26 -4.96 121.76 116.51 1ls8 s ALA 140 Ca 0.39 -1.04 0.07 0.00 0.00 0.00 0.00 51.96 51.38 1ls8 s ALA 140 Cb 0.37 -1.02 0.12 0.00 0.00 0.00 0.00 23.12 22.58 1ls8 s ALA 140 CO -0.07 0.07 1.05 -0.85 0.00 0.00 0.00 175.76 175.97 1ls8 n GLU 141 N 3.89 0.19 0.00 0.00 0.28 -1.26 -5.34 120.64 118.40 1ls8 n GLU 141 Ca -0.19 -1.41 0.04 0.00 -0.16 0.00 0.00 57.16 55.43 1ls8 n GLU 141 Cb 0.52 -0.56 0.23 0.00 1.43 0.00 0.00 31.44 33.06 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30