#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lur n GLU 2 N 0.00 0.00 -4.11 1.61 0.00 -1.26 -5.01 120.64 111.88 3lur n GLU 2 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.08 3lur n GLU 2 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 31.44 31.34 3lur n GLU 2 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 3lur s TYR 3 N -1.20 0.66 -0.05 -1.84 -0.85 -1.26 -4.54 117.35 108.27 3lur s TYR 3 Ca 0.00 -1.12 0.04 0.00 -0.52 0.00 0.00 57.07 55.47 3lur s TYR 3 Cb 0.00 -0.41 -0.02 0.00 0.38 0.00 0.00 41.96 41.91 3lur s TYR 3 CO 0.00 -0.46 -0.17 -0.65 -1.52 0.00 0.00 175.55 172.75 3lur s GLN 4 N -3.98 2.51 0.05 -3.49 -1.52 -0.67 -4.89 119.66 107.67 3lur s GLN 4 Ca 0.15 -0.75 -0.28 0.00 -1.95 0.00 0.00 55.36 52.53 3lur s GLN 4 Cb 0.07 -2.33 -0.05 0.00 -0.22 0.00 0.00 33.01 30.49 3lur s GLN 4 CO -0.04 0.57 0.90 -0.51 -0.25 0.00 0.00 175.29 175.95 3lur s LEU 5 N -0.59 4.43 0.11 2.90 1.43 -1.26 -0.63 118.68 125.07 3lur s LEU 5 Ca 0.09 1.61 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 3lur s LEU 5 Cb -0.11 -3.45 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 3lur s LEU 5 CO 0.01 -0.11 -0.00 -1.10 0.23 0.00 0.00 176.35 175.38 3lur s GLN 6 N 0.36 0.85 0.01 1.70 -1.52 -0.68 -4.98 119.66 115.40 3lur s GLN 6 Ca 0.45 -1.37 0.01 0.00 -1.95 0.00 0.00 55.36 52.50 3lur s GLN 6 Cb -0.21 0.05 -0.01 0.00 -0.22 0.00 0.00 33.01 32.61 3lur s GLN 6 CO 0.27 -0.14 -0.05 1.14 -0.25 0.00 0.00 175.29 176.26 3lur s GLN 7 N -3.94 0.36 0.02 2.91 -2.07 -1.26 -0.42 119.66 115.25 3lur s GLN 7 Ca 0.17 -0.30 0.08 0.00 -1.82 0.00 0.00 55.36 53.49 3lur s GLN 7 Cb 0.07 -0.27 -0.02 0.00 -1.09 0.00 0.00 33.01 31.69 3lur s GLN 7 CO -0.03 0.07 -0.24 -0.51 -1.32 0.00 0.00 175.29 173.27 3lur s LEU 8 N -0.49 2.13 1.10 2.60 1.43 -0.19 -5.00 118.68 120.27 3lur s LEU 8 Ca -0.02 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.40 3lur s LEU 8 Cb -0.04 -1.16 0.24 0.00 0.03 0.00 0.00 46.19 45.27 3lur s LEU 8 CO -0.00 0.24 1.13 0.00 0.23 0.00 0.00 176.35 177.94 3lur s ALA 9 N -0.72 0.93 0.30 4.21 0.00 -1.26 -2.05 121.76 123.17 3lur s ALA 9 Ca 0.09 -0.79 -0.29 0.00 0.00 0.00 0.00 51.96 50.98 3lur s ALA 9 Cb -0.09 -2.95 -0.10 0.00 0.00 0.00 0.00 23.12 19.98 3lur s ALA 9 CO 0.01 -3.18 1.25 -1.12 0.00 0.00 0.00 175.76 172.72 3lur s SER 10 N -3.88 6.93 0.13 0.00 0.01 -1.26 -4.25 113.70 111.37 3lur s SER 10 Ca 0.69 2.53 0.09 0.00 1.31 0.00 0.00 55.95 60.57 3lur s SER 10 Cb -0.12 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.43 3lur s SER 10 CO 0.56 -0.43 -0.21 -0.76 0.41 0.00 0.00 173.24 172.81 3lur s LEU 11 N -1.45 2.36 -0.26 2.44 1.43 -0.18 -4.90 118.68 118.11 3lur s LEU 11 Ca 0.49 -0.76 -0.14 0.00 -1.03 0.00 0.00 54.13 52.69 3lur s LEU 11 Cb -0.37 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 3lur s LEU 11 CO 0.47 0.04 0.31 -0.89 0.23 0.00 0.00 176.35 176.51 3lur s THR 12 N -1.48 5.23 -0.15 5.49 2.01 -1.26 -0.52 115.64 124.97 3lur s THR 12 Ca 0.11 0.44 -0.03 0.00 0.31 0.00 0.00 61.69 62.51 3lur s THR 12 Cb -0.08 -3.64 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 3lur s THR 12 CO 0.06 0.21 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.40 3lur s LEU 13 N 1.83 3.28 -0.14 4.42 1.43 0.81 -1.02 118.68 129.29 3lur s LEU 13 Ca 0.12 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 3lur s LEU 13 Cb -0.16 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 3lur s LEU 13 CO 0.10 0.19 -0.16 -0.69 0.23 0.00 0.00 176.35 176.02 3lur s VAL 14 N 0.23 2.69 -0.92 -1.59 1.01 -0.24 -0.99 120.40 120.58 3lur s VAL 14 Ca -0.02 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.18 3lur s VAL 14 Cb -0.14 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.12 3lur s VAL 14 CO 0.03 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.26 3lur n GLY 15 N 3.83 -0.63 3.05 4.51 0.00 -0.47 -1.23 105.19 114.25 3lur n GLY 15 Ca -0.19 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 3lur n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lur s ILE 16 N -3.41 0.96 -0.03 -0.61 -1.09 -0.35 -0.46 121.20 116.21 3lur s ILE 16 Ca 0.00 -0.47 0.04 0.00 -2.23 0.00 0.00 60.65 57.99 3lur s ILE 16 Cb 0.00 -0.84 -0.03 0.00 -1.58 0.00 0.00 42.46 40.02 3lur s ILE 16 CO 0.00 0.29 -0.15 -0.75 -1.23 0.00 0.00 174.94 173.10 3lur s LYS 17 N 0.05 2.42 0.01 2.79 2.20 -1.26 -1.17 119.74 124.78 3lur s LYS 17 Ca -0.01 -0.75 0.06 0.00 -0.36 0.00 0.00 55.97 54.91 3lur s LYS 17 Cb -0.08 -2.34 -0.02 0.00 -1.51 0.00 0.00 37.83 33.88 3lur s LYS 17 CO 0.01 0.61 -0.18 -1.21 -0.36 0.00 0.00 175.35 174.21 3lur s GLU 18 N -0.84 1.37 -0.09 4.03 2.02 -0.35 -4.98 118.70 119.85 3lur s GLU 18 Ca 0.12 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.38 3lur s GLU 18 Cb -0.11 -1.39 -0.01 0.00 0.10 0.00 0.00 34.13 32.72 3lur s GLU 18 CO 0.01 0.37 -0.17 0.99 0.02 0.00 0.00 175.26 176.48 3lur s THR 19 N -0.60 2.71 0.31 3.63 2.01 -1.26 -0.79 115.64 121.64 3lur s THR 19 Ca 0.06 -0.81 0.10 0.00 0.31 0.00 0.00 61.69 61.36 3lur s THR 19 Cb -0.08 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 3lur s THR 19 CO 0.00 0.55 -0.10 -0.31 -0.69 0.00 0.00 174.62 174.08 3lur s TYR 20 N 0.03 2.43 0.35 4.92 2.02 -1.26 -4.97 117.35 120.86 3lur s TYR 20 Ca -0.06 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.31 3lur s TYR 20 Cb -0.15 -1.22 0.70 0.00 -0.40 0.00 0.00 41.96 40.89 3lur s TYR 20 CO 0.05 0.62 1.95 1.05 -1.57 0.00 0.00 175.55 177.65 3lur h GLU 21 N 2.06 0.79 0.00 -0.62 4.11 -1.94 -3.42 114.58 115.55 3lur h GLU 21 Ca -0.42 -0.05 0.12 0.00 0.07 0.00 0.00 59.36 59.09 3lur h GLU 21 Cb 1.25 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 3lur h GLU 21 CO 0.64 0.52 0.50 0.27 0.07 0.00 0.00 179.01 181.01 3lur n ASN 22 N -4.48 -1.69 -0.21 3.06 0.23 -1.26 -3.91 115.26 106.99 3lur n ASN 22 Ca 0.11 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 52.23 3lur n ASN 22 Cb 0.23 2.76 0.12 0.00 -2.08 0.00 0.00 39.78 40.80 3lur n ASN 22 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3lur h GLY 23 N 1.82 0.89 0.88 4.83 0.00 -1.90 -1.77 103.07 107.83 3lur h GLY 23 Ca -0.26 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 3lur h GLY 23 CO 0.35 -0.01 -0.21 3.21 0.00 0.00 0.00 176.54 179.87 3lur h ARG 24 N 0.44 0.57 -0.25 4.80 -0.00 -1.99 -2.68 114.38 115.26 3lur h ARG 24 Ca 0.32 -0.29 -0.03 0.00 -0.50 0.00 0.00 59.98 59.48 3lur h ARG 24 Cb 0.39 0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.35 3lur h ARG 24 CO -0.30 0.88 0.02 1.96 0.00 0.00 0.00 179.97 182.53 3lur h GLN 25 N 0.28 0.37 -0.09 0.04 4.20 -1.95 -2.46 115.11 115.50 3lur h GLN 25 Ca 0.04 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3lur h GLN 25 Cb 0.76 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 3lur h GLN 25 CO 0.05 0.38 0.06 0.00 -0.67 0.00 0.00 178.83 178.65 3lur h ALA 26 N 1.67 0.11 -0.83 3.87 0.00 -1.22 -2.58 119.26 120.29 3lur h ALA 26 Ca 0.09 -0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.12 3lur h ALA 26 Cb 0.21 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 3lur h ALA 26 CO 0.00 -0.40 0.54 1.96 0.00 0.00 0.00 179.25 181.35 3lur h GLN 27 N 0.12 0.63 0.00 0.00 4.20 -1.10 0.12 115.11 119.07 3lur h GLN 27 Ca 0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3lur h GLN 27 Cb -0.01 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3lur h GLN 27 CO -0.01 0.41 0.00 1.96 -0.67 0.00 0.00 178.83 180.52 3lur h GLN 28 N 0.65 0.00 0.00 1.46 4.20 -1.19 -3.32 115.11 116.91 3lur h GLN 28 Ca 0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.11 3lur h GLN 28 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3lur h GLN 28 CO -0.16 0.00 -1.60 0.72 -0.67 0.00 0.00 178.83 177.11 3lur n HIS 29 N -2.31 0.00 -0.24 2.96 8.25 -0.26 -4.75 115.22 118.87 3lur n HIS 29 Ca 0.05 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.45 3lur n HIS 29 Cb 0.41 -0.30 0.05 0.00 1.12 0.00 0.00 29.99 31.27 3lur n HIS 29 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3lur h ILE 30 N 0.00 1.19 -0.65 1.59 2.04 -1.15 -1.45 117.51 119.08 3lur h ILE 30 Ca 0.00 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.49 3lur h ILE 30 Cb 0.60 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3lur h ILE 30 CO 0.00 0.19 0.41 0.00 0.00 0.00 0.00 178.15 178.75 3lur h ALA 31 N 1.22 0.85 -0.53 1.87 0.00 -1.85 -1.39 119.26 119.43 3lur h ALA 31 Ca 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 3lur h ALA 31 Cb -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3lur h ALA 31 CO -0.05 0.17 0.17 0.78 0.00 0.00 0.00 179.25 180.32 3lur h GLY 32 N 0.80 0.84 0.92 0.00 0.00 -1.75 -0.30 103.07 103.59 3lur h GLY 32 Ca 0.26 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 3lur h GLY 32 CO -0.10 0.43 0.10 -2.75 0.00 0.00 0.00 176.54 174.22 3lur h PHE 33 N 0.77 0.61 -0.67 5.60 3.57 -0.50 0.07 116.94 126.38 3lur h PHE 33 Ca 0.18 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3lur h PHE 33 Cb 0.22 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3lur h PHE 33 CO 0.01 0.59 0.44 -1.49 -2.23 0.00 0.00 178.31 175.63 3lur h TRP 34 N 0.45 0.86 -0.33 0.41 4.06 -0.89 -1.20 115.95 119.31 3lur h TRP 34 Ca 0.12 0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.10 3lur h TRP 34 Cb 0.28 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.13 3lur h TRP 34 CO 0.01 0.55 0.18 0.37 -3.56 0.00 0.00 178.44 175.99 3lur h GLN 35 N 0.91 0.35 -0.26 0.49 4.15 -0.67 -0.35 115.11 119.73 3lur h GLN 35 Ca 0.25 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 3lur h GLN 35 Cb -0.08 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 3lur h GLN 35 CO -0.05 0.23 0.13 0.00 -1.93 0.00 0.00 178.83 177.21 3lur h ARG 36 N 0.36 0.37 -0.64 1.69 3.08 -0.79 0.18 114.38 118.63 3lur h ARG 36 Ca 0.13 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.17 3lur h ARG 36 Cb 0.03 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 3lur h ARG 36 CO -0.08 0.36 0.38 0.00 -1.07 0.00 0.00 179.97 179.55 3lur h TYR 38 N 0.72 -0.59 -0.61 0.00 0.05 -0.84 -0.44 116.97 115.26 3lur h TYR 38 Ca 0.27 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.16 3lur h TYR 38 Cb 0.10 0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 3lur h TYR 38 CO -0.07 -0.34 0.41 1.96 -1.05 0.00 0.00 178.16 179.07 3lur h GLN 39 N -0.54 0.36 0.00 4.88 4.20 0.06 -1.74 115.11 122.34 3lur h GLN 39 Ca -0.03 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3lur h GLN 39 Cb 0.46 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3lur h GLN 39 CO 0.01 0.24 -0.51 0.39 -0.67 0.00 0.00 178.83 178.29 3lur n GLU 40 N -4.47 0.19 -0.50 1.46 1.02 0.07 -4.94 120.64 113.48 3lur n GLU 40 Ca 0.10 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 3lur n GLU 40 Cb 0.41 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 3lur n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3lur n GLY 41 N 1.39 0.75 0.30 0.62 0.00 -0.65 -4.95 105.19 102.65 3lur n GLY 41 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 3lur n GLY 41 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3lur h VAL 42 N 0.00 1.27 -0.58 1.61 2.07 -1.32 -2.32 116.25 116.98 3lur h VAL 42 Ca 0.00 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 3lur h VAL 42 Cb 0.00 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3lur h VAL 42 CO 0.00 0.43 0.26 0.40 0.02 0.00 0.00 177.57 178.68 3lur h ILE 43 N 0.94 1.22 -0.66 4.57 1.08 -1.82 -0.57 117.51 122.27 3lur h ILE 43 Ca 0.16 -0.65 -0.05 0.00 -0.39 0.00 0.00 64.86 63.93 3lur h ILE 43 Cb 0.60 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 3lur h ILE 43 CO 0.04 0.26 0.22 0.00 -0.69 0.00 0.00 178.15 177.98 3lur h ALA 44 N 1.10 0.86 -0.44 1.87 0.00 -1.85 -0.92 119.26 119.88 3lur h ALA 44 Ca 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3lur h ALA 44 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3lur h ALA 44 CO -0.02 0.52 0.11 0.22 0.00 0.00 0.00 179.25 180.08 3lur h ASP 45 N 0.95 0.66 -0.11 0.00 3.58 -1.11 -2.82 116.42 117.57 3lur h ASP 45 Ca 0.21 -0.23 -0.08 0.00 0.42 0.00 0.00 57.03 57.35 3lur h ASP 45 Cb 0.27 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 3lur h ASP 45 CO -0.01 0.72 -0.16 -0.07 -2.88 0.00 0.00 179.24 176.84 3lur h LEU 46 N 0.57 0.48 -1.79 2.28 3.38 -0.86 -2.63 115.31 116.74 3lur h LEU 46 Ca 0.14 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3lur h LEU 46 Cb 0.32 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3lur h LEU 46 CO 0.00 0.66 -0.15 1.56 0.09 0.00 0.00 178.44 180.60 3lur h GLN 47 N 0.45 0.00 0.00 1.13 1.08 -0.94 -0.48 115.11 116.35 3lur h GLN 47 Ca 0.08 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.23 3lur h GLN 47 Cb 0.54 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3lur h GLN 47 CO 0.03 0.15 -0.22 -0.07 -0.95 0.00 0.00 178.83 177.78 3lur h LEU 48 N 0.00 0.00 -0.18 1.46 3.38 -1.23 -3.00 115.31 115.74 3lur h LEU 48 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lur h LEU 48 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3lur h LEU 48 CO 0.02 0.22 -0.56 0.29 0.09 0.00 0.00 178.44 178.49 3lur n LYS 49 N -3.34 0.27 -1.86 1.13 5.02 -0.24 -4.93 118.16 114.21 3lur n LYS 49 Ca 0.01 -0.18 -0.43 0.00 -2.02 0.00 0.00 58.31 55.69 3lur n LYS 49 Cb 0.45 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 3lur n LYS 49 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3lur s ASN 50 N -2.86 6.17 0.00 4.39 3.84 -0.86 -4.40 114.94 121.22 3lur s ASN 50 Ca 0.14 1.99 0.22 0.00 0.21 0.00 0.00 52.86 55.42 3lur s ASN 50 Cb 0.18 -2.53 0.73 0.00 -0.55 0.00 0.00 41.25 39.08 3lur s ASN 50 CO 0.69 -1.37 1.54 -0.46 -2.79 0.00 0.00 177.10 174.71 3lur n ASN 51 N 8.99 1.88 0.00 -4.21 6.94 0.43 -4.95 115.26 124.34 3lur n ASN 51 Ca 0.22 -1.73 0.00 0.00 -0.02 0.00 0.00 54.58 53.05 3lur n ASN 51 Cb 0.44 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 3lur n ASN 51 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3lur n GLY 52 N 1.18 1.08 0.36 4.83 0.00 -1.26 -4.91 105.19 106.47 3lur n GLY 52 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 3lur n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lur h ASP 53 N 0.00 0.88 -3.55 1.61 3.32 -1.92 -3.35 116.42 113.40 3lur h ASP 53 Ca 0.00 0.06 -0.64 0.00 0.02 0.00 0.00 57.03 56.47 3lur h ASP 53 Cb 0.00 -0.11 -0.33 0.00 0.22 0.00 0.00 39.33 39.12 3lur h ASP 53 CO 0.00 0.43 -0.86 -0.76 -1.72 0.00 0.00 179.24 176.32 3lur s LEU 54 N -10.25 1.99 -1.18 1.55 1.43 -1.26 -5.08 118.68 105.88 3lur s LEU 54 Ca -0.12 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 52.33 3lur s LEU 54 Cb 0.23 -1.25 0.11 0.00 0.03 0.00 0.00 46.19 45.31 3lur s LEU 54 CO 0.81 0.15 1.51 0.00 0.23 0.00 0.00 176.35 179.05 3lur s ALA 55 N 0.26 3.46 0.00 4.21 0.00 -1.26 -4.77 121.76 123.66 3lur s ALA 55 Ca -0.13 -2.95 0.00 0.00 0.00 0.00 0.00 51.96 48.88 3lur s ALA 55 Cb -0.16 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.58 3lur s ALA 55 CO 0.06 -3.13 0.00 0.41 0.00 0.00 0.00 175.76 173.10 3lur n GLY 56 N 5.21 -0.57 3.63 0.00 0.00 -1.26 -4.36 105.19 107.84 3lur n GLY 56 Ca 0.39 -1.53 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 3lur n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lur s ILE 57 N -2.37 3.95 -0.04 -0.61 1.01 -0.34 -4.75 121.20 118.05 3lur s ILE 57 Ca 0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 3lur s ILE 57 Cb 0.00 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 3lur s ILE 57 CO 0.00 0.54 0.18 -0.76 0.00 0.00 0.00 174.94 174.90 3lur s LEU 58 N -1.04 4.38 -0.51 2.97 1.02 0.80 -0.25 118.68 126.05 3lur s LEU 58 Ca 0.14 0.42 -0.04 0.00 0.02 0.00 0.00 54.13 54.67 3lur s LEU 58 Cb -0.11 -2.46 0.13 0.00 0.02 0.00 0.00 46.19 43.78 3lur s LEU 58 CO 0.04 0.31 0.33 -0.83 0.02 0.00 0.00 176.35 176.22 3lur s GLY 59 N -1.62 2.22 -0.24 -3.19 0.00 -0.11 -1.23 107.32 103.14 3lur s GLY 59 Ca 0.24 -2.84 -0.18 0.00 0.00 0.00 0.00 44.72 41.94 3lur s GLY 59 CO 0.14 1.08 0.51 -2.27 0.00 0.00 0.00 173.10 172.55 3lur s LEU 60 N 0.68 4.08 -0.24 0.66 2.96 -1.26 -0.81 118.68 124.76 3lur s LEU 60 Ca 0.11 0.56 -0.16 0.00 -0.22 0.00 0.00 54.13 54.42 3lur s LEU 60 Cb -0.22 -2.66 -0.03 0.00 0.50 0.00 0.00 46.19 43.77 3lur s LEU 60 CO -0.04 -0.24 0.44 0.00 -1.32 0.00 0.00 176.35 175.19 3lur s ILE 62 N 1.88 2.67 0.20 0.00 1.01 0.62 -1.77 121.20 125.80 3lur s ILE 62 Ca 0.19 -2.92 -0.32 0.00 0.00 0.00 0.00 60.65 57.60 3lur s ILE 62 Cb -0.15 -2.87 -0.12 0.00 0.01 0.00 0.00 42.46 39.33 3lur s ILE 62 CO 0.09 -0.74 1.72 -2.65 0.00 0.00 0.00 174.94 173.35 3lur n PRO 63 N 3.57 2.73 -3.51 2.79 -0.02 -1.26 -1.01 135.00 138.28 3lur n PRO 63 Ca 0.05 0.98 -0.29 0.00 -2.02 0.00 0.00 63.50 62.22 3lur n PRO 63 Cb 0.36 -2.83 -0.04 0.00 -0.02 0.00 0.00 33.50 30.98 3lur n PRO 63 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3lur s GLU 64 N 1.19 3.61 0.28 -0.52 0.41 0.50 -4.90 118.70 119.28 3lur s GLU 64 Ca 0.76 -0.09 -0.00 0.00 -0.41 0.00 0.00 54.97 55.22 3lur s GLU 64 Cb -0.52 -2.74 0.48 0.00 -1.78 0.00 0.00 34.13 29.57 3lur s GLU 64 CO 0.33 0.33 1.89 -0.07 -0.49 0.00 0.00 175.26 177.24 3lur h LEU 65 N 2.06 0.97 -0.58 1.80 -0.00 -1.93 -2.29 115.31 115.35 3lur h LEU 65 Ca -0.47 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.42 3lur h LEU 65 Cb 1.18 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 3lur h LEU 65 CO 0.68 0.60 0.00 0.47 -0.00 0.00 0.00 178.44 180.19 3lur n ASP 66 N -4.51 0.66 0.00 -0.43 8.00 -1.26 -4.82 116.55 114.19 3lur n ASP 66 Ca 0.15 -2.02 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3lur n ASP 66 Cb 0.22 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 3lur n ASP 66 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lur n GLY 67 N 0.33 1.32 0.00 0.44 0.00 -0.86 -5.12 105.19 101.30 3lur n GLY 67 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3lur n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3lur n LYS 68 N -2.00 2.86 -3.53 1.61 5.02 -1.25 -4.49 118.16 116.38 3lur n LYS 68 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.13 3lur n LYS 68 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 3lur n LYS 68 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3lur s SER 70 N -1.50 -0.58 0.22 4.39 0.01 -0.18 -0.37 113.70 115.69 3lur s SER 70 Ca 0.00 0.60 0.02 0.00 1.31 0.00 0.00 55.95 57.87 3lur s SER 70 Cb 0.00 0.49 -0.01 0.00 0.21 0.00 0.00 66.02 66.71 3lur s SER 70 CO 0.00 -0.57 0.06 0.00 0.41 0.00 0.00 173.24 173.14 3lur n TYR 71 N 0.78 0.18 -3.68 2.43 9.36 0.03 -0.28 117.16 125.98 3lur n TYR 71 Ca -0.17 -1.31 -0.12 0.00 3.32 0.00 0.00 57.90 59.62 3lur n TYR 71 Cb 0.58 -0.04 -0.12 0.00 -0.63 0.00 0.00 39.34 39.13 3lur n TYR 71 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3lur s ILE 73 N -2.24 -0.33 0.19 2.97 1.01 -0.32 -1.21 121.20 121.28 3lur s ILE 73 Ca 0.08 0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.73 3lur s ILE 73 Cb 0.00 -0.51 0.04 0.00 0.01 0.00 0.00 42.46 42.01 3lur s ILE 73 CO 0.06 0.08 0.58 0.00 0.00 0.00 0.00 174.94 175.66 3lur s ALA 74 N 2.05 -1.25 0.14 9.38 0.00 -0.36 -1.21 121.76 130.51 3lur s ALA 74 Ca -0.04 0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.06 3lur s ALA 74 Cb -0.11 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 3lur s ALA 74 CO -0.10 -0.82 -0.15 0.14 0.00 0.00 0.00 175.76 174.83 3lur s VAL 75 N -3.83 1.52 0.01 0.00 -7.23 -0.37 -0.14 120.40 110.36 3lur s VAL 75 Ca 0.06 -1.83 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 3lur s VAL 75 Cb -0.02 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.20 3lur s VAL 75 CO -0.06 -0.40 1.14 0.42 -0.31 0.00 0.00 175.10 175.89 3lur s THR 76 N -2.20 4.32 0.27 5.32 -4.23 -1.26 -1.08 115.64 116.79 3lur s THR 76 Ca 0.12 1.66 0.03 0.00 -1.18 0.00 0.00 61.69 62.32 3lur s THR 76 Cb -0.05 -4.06 -0.03 0.00 1.34 0.00 0.00 72.50 69.70 3lur s THR 76 CO 0.04 0.09 0.22 -0.83 -0.54 0.00 0.00 174.62 173.60 3lur s GLY 77 N 1.16 1.91 0.30 3.99 0.00 -0.19 -0.43 107.32 114.06 3lur s GLY 77 Ca 0.56 -1.89 -0.12 0.00 0.00 0.00 0.00 44.72 43.27 3lur s GLY 77 CO 0.26 -1.42 0.68 0.99 0.00 0.00 0.00 173.10 173.61 3lur s ASP 78 N -3.27 6.69 0.16 1.64 1.01 -1.26 -4.30 116.67 117.33 3lur s ASP 78 Ca 0.40 1.14 -0.29 0.00 0.71 0.00 0.00 52.55 54.50 3lur s ASP 78 Cb 0.04 -2.32 -0.07 0.00 1.01 0.00 0.00 42.92 41.59 3lur s ASP 78 CO 0.20 -0.19 0.92 0.20 0.21 0.00 0.00 175.17 176.51 3lur s ASN 79 N -2.43 7.52 0.02 0.27 0.01 -1.26 -4.90 114.94 114.16 3lur s ASN 79 Ca 0.51 1.81 -0.29 0.00 -0.71 0.00 0.00 52.86 54.18 3lur s ASN 79 Cb -0.10 -2.58 0.11 0.00 0.41 0.00 0.00 41.25 39.09 3lur s ASN 79 CO 0.20 0.06 1.23 -0.94 -1.51 0.00 0.00 177.10 176.14 3lur s SER 80 N -0.57 -0.06 0.33 -1.22 1.04 -1.26 -5.03 113.70 106.92 3lur s SER 80 Ca 0.43 -0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.66 3lur s SER 80 Cb -0.24 0.22 0.57 0.00 0.10 0.00 0.00 66.02 66.68 3lur s SER 80 CO 0.30 -0.42 1.97 0.00 0.98 0.00 0.00 173.24 176.07 3lur h ALA 81 N 2.00 1.47 -0.60 5.32 0.00 -2.04 -3.21 119.26 122.20 3lur h ALA 81 Ca -0.29 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.67 3lur h ALA 81 Cb 1.21 -0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.64 3lur h ALA 81 CO 0.29 0.46 -0.01 -0.44 0.00 0.00 0.00 179.25 179.54 3lur h ASP 82 N 0.86 -0.28 0.00 0.00 5.19 -1.98 -2.05 116.42 118.17 3lur h ASP 82 Ca 0.23 0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.78 3lur h ASP 82 Cb -0.02 0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.76 3lur h ASP 82 CO -0.04 -0.11 0.09 0.40 -3.12 0.00 0.00 179.24 176.45 3lur h ILE 83 N 0.11 0.00 -0.67 0.35 5.03 -1.90 -3.18 117.51 117.25 3lur h ILE 83 Ca 0.31 0.00 0.19 0.00 -0.12 0.00 0.00 64.86 65.24 3lur h ILE 83 Cb 0.49 0.55 -0.03 0.00 -3.03 0.00 0.00 36.82 34.81 3lur h ILE 83 CO -0.52 0.00 0.48 0.00 -0.68 0.00 0.00 178.15 177.43 3lur h ALA 84 N 1.79 2.55 -0.68 1.87 0.00 -1.56 -2.22 119.26 121.00 3lur h ALA 84 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3lur h ALA 84 Cb 0.17 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3lur h ALA 84 CO 0.00 -0.74 0.37 1.57 0.00 0.00 0.00 179.25 180.45 3lur h LYS 85 N 0.06 0.65 -7.33 0.00 -0.00 -1.81 -3.42 116.57 104.72 3lur h LYS 85 Ca 0.32 -0.04 -0.46 0.00 -0.00 0.00 0.00 60.65 60.48 3lur h LYS 85 Cb 1.20 -0.15 0.10 0.00 -0.00 0.00 0.00 32.23 33.38 3lur h LYS 85 CO -0.02 0.43 0.22 0.71 -0.00 0.00 0.00 179.45 180.78 3lur s TYR 86 N -6.09 2.21 0.21 0.07 2.02 -0.83 -5.05 117.35 109.90 3lur s TYR 86 Ca -0.13 0.16 -0.30 0.00 -0.37 0.00 0.00 57.07 56.44 3lur s TYR 86 Cb 0.17 -3.31 -0.08 0.00 -0.40 0.00 0.00 41.96 38.34 3lur s TYR 86 CO 0.76 -1.74 1.10 -0.51 -1.57 0.00 0.00 175.55 173.59 3lur s ASP 87 N -4.66 7.27 -0.31 2.29 1.11 0.39 -4.88 116.67 117.88 3lur s ASP 87 Ca 0.65 2.15 -0.01 0.00 0.18 0.00 0.00 52.55 55.52 3lur s ASP 87 Cb -0.08 -2.61 0.10 0.00 1.07 0.00 0.00 42.92 41.40 3lur s ASP 87 CO 0.46 -0.19 0.10 -0.69 1.18 0.00 0.00 175.17 176.03 3lur s VAL 88 N -0.57 0.81 0.35 -1.27 1.01 -1.26 -1.37 120.40 118.11 3lur s VAL 88 Ca 0.48 -1.37 0.07 0.00 0.00 0.00 0.00 61.98 61.15 3lur s VAL 88 Cb -0.30 -1.62 -0.07 0.00 0.00 0.00 0.00 36.38 34.39 3lur s VAL 88 CO 0.37 -0.69 -0.02 0.27 0.00 0.00 0.00 175.10 175.03 3lur s ILE 89 N 1.63 1.81 -0.24 2.22 -4.36 -0.16 -4.94 121.20 117.16 3lur s ILE 89 Ca 0.10 -2.08 -0.09 0.00 -0.26 0.00 0.00 60.65 58.33 3lur s ILE 89 Cb -0.17 -2.75 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 3lur s ILE 89 CO -0.26 -0.11 0.11 -0.89 0.24 0.00 0.00 174.94 174.03 3lur s THR 90 N -2.87 4.73 -0.42 8.37 2.01 -1.26 -0.13 115.64 126.06 3lur s THR 90 Ca 0.33 -0.03 -0.20 0.00 0.31 0.00 0.00 61.69 62.10 3lur s THR 90 Cb 0.07 -3.21 0.02 0.00 0.01 0.00 0.00 72.50 69.38 3lur s THR 90 CO 0.16 0.34 0.62 -0.22 -0.69 0.00 0.00 174.62 174.82 3lur s LEU 91 N 1.39 4.50 0.52 4.42 2.96 0.32 -4.94 118.68 127.84 3lur s LEU 91 Ca 0.06 -0.31 -0.22 0.00 -0.22 0.00 0.00 54.13 53.44 3lur s LEU 91 Cb -0.15 -2.70 -0.06 0.00 0.50 0.00 0.00 46.19 43.79 3lur s LEU 91 CO 0.05 -0.73 1.27 0.00 -1.32 0.00 0.00 176.35 175.62 3lur s ALA 92 N 2.73 2.85 0.43 5.97 0.00 -1.26 -1.01 121.76 131.47 3lur s ALA 92 Ca 0.22 1.15 -0.24 0.00 0.00 0.00 0.00 51.96 53.08 3lur s ALA 92 Cb -0.14 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 19.39 3lur s ALA 92 CO 0.18 -1.08 1.14 -1.13 0.00 0.00 0.00 175.76 174.86 3lur n SER 93 N -0.88 1.85 -3.48 0.00 3.41 -1.26 -4.79 113.62 108.47 3lur n SER 93 Ca 0.09 1.06 -0.11 0.00 -0.26 0.00 0.00 58.87 59.65 3lur n SER 93 Cb 0.47 -1.43 -0.03 0.00 -0.26 0.00 0.00 64.21 62.96 3lur n SER 93 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3lur s SER 94 N -0.68 -0.46 0.43 4.04 0.15 -0.87 -4.94 113.70 111.38 3lur s SER 94 Ca 0.63 0.10 -0.11 0.00 0.70 0.00 0.00 55.95 57.28 3lur s SER 94 Cb -0.53 0.46 -0.06 0.00 -1.71 0.00 0.00 66.02 64.19 3lur s SER 94 CO 0.57 -0.71 0.81 -0.54 1.20 0.00 0.00 173.24 174.56 3lur s LYS 95 N -2.97 3.78 0.00 5.44 1.02 -1.25 -1.02 119.74 124.74 3lur s LYS 95 Ca 0.02 0.52 0.00 0.00 0.02 0.00 0.00 55.97 56.53 3lur s LYS 95 Cb -0.01 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.96 3lur s LYS 95 CO -0.08 -0.10 0.00 0.66 -0.92 0.00 0.00 175.35 174.91 3lur n TYR 96 N -1.47 0.00 -3.20 3.18 4.02 0.44 -0.82 117.16 119.31 3lur n TYR 96 Ca 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.96 3lur n TYR 96 Cb 0.54 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.83 3lur n TYR 96 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3lur s VAL 98 N 1.64 -0.28 0.34 -0.72 1.01 0.20 -1.68 120.40 120.90 3lur s VAL 98 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3lur s VAL 98 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 3lur s VAL 98 CO 0.00 0.00 0.38 -0.36 0.00 0.00 0.00 175.10 175.12 3lur s PHE 99 N 2.69 2.99 -0.08 5.22 0.40 0.61 -1.67 117.98 128.15 3lur s PHE 99 Ca -0.02 -0.27 0.05 0.00 -0.60 0.00 0.00 56.93 56.09 3lur s PHE 99 Cb -0.07 -1.90 -0.00 0.00 0.51 0.00 0.00 43.02 41.56 3lur s PHE 99 CO -0.13 0.09 -0.23 -1.21 0.70 0.00 0.00 175.22 174.44 3lur s GLU 100 N -4.08 2.69 -0.20 0.44 2.02 -1.26 -0.63 118.70 117.67 3lur s GLU 100 Ca 0.43 -0.83 -0.07 0.00 0.02 0.00 0.00 54.97 54.52 3lur s GLU 100 Cb -0.07 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 3lur s GLU 100 CO 0.29 0.24 0.04 0.00 0.02 0.00 0.00 175.26 175.85 3lur s ALA 101 N 0.18 3.23 -0.21 5.21 0.00 0.39 -4.97 121.76 125.58 3lur s ALA 101 Ca -0.13 -0.91 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 3lur s ALA 101 Cb -0.16 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.05 3lur s ALA 101 CO 0.06 -0.07 -0.06 -1.14 0.00 0.00 0.00 175.76 174.55 3lur s GLN 102 N 0.85 3.36 0.00 0.00 0.74 -1.26 -0.97 119.66 122.38 3lur s GLN 102 Ca 0.03 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 54.80 3lur s GLN 102 Cb -0.14 -2.96 0.00 0.00 1.10 0.00 0.00 33.01 31.01 3lur s GLN 102 CO 0.02 -0.17 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 3lur n GLY 103 N 4.69 0.72 3.73 2.59 0.00 0.68 -4.88 105.19 112.72 3lur n GLY 103 Ca -0.18 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 3lur n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lur s ALA 104 N -1.45 3.65 0.06 4.61 0.00 -0.87 -4.32 121.76 123.42 3lur s ALA 104 Ca 0.00 1.28 -0.23 0.00 0.00 0.00 0.00 51.96 53.01 3lur s ALA 104 Cb 0.00 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 3lur s ALA 104 CO 0.00 -0.71 0.70 0.08 0.00 0.00 0.00 175.76 175.83 3lur s VAL 105 N 0.42 4.72 -0.74 0.00 1.01 0.37 -0.94 120.40 125.24 3lur s VAL 105 Ca 0.62 1.50 0.23 0.00 0.00 0.00 0.00 61.98 64.33 3lur s VAL 105 Cb -0.41 -4.05 -0.13 0.00 0.00 0.00 0.00 36.38 31.79 3lur s VAL 105 CO 0.38 0.42 1.05 -0.81 0.00 0.00 0.00 175.10 176.14 3lur n PRO 106 N 2.47 0.19 -0.11 2.72 -0.04 -1.26 -4.78 135.00 134.20 3lur n PRO 106 Ca -0.05 -0.01 -0.05 0.00 -0.04 0.00 0.00 63.50 63.35 3lur n PRO 106 Cb 0.50 -1.55 0.02 0.00 -0.04 0.00 0.00 33.50 32.43 3lur n PRO 106 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3lur h LYS 107 N 0.00 0.15 -0.48 0.54 3.64 -1.89 -1.03 116.57 117.50 3lur h LYS 107 Ca 0.00 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3lur h LYS 107 Cb 0.65 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 3lur h LYS 107 CO 0.00 0.10 0.09 0.00 -2.27 0.00 0.00 179.45 177.37 3lur h ALA 108 N 1.29 1.27 -0.35 5.00 0.00 -1.33 -0.20 119.26 124.95 3lur h ALA 108 Ca 0.18 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3lur h ALA 108 Cb 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3lur h ALA 108 CO -0.26 0.51 -0.15 0.28 0.00 0.00 0.00 179.25 179.63 3lur h VAL 109 N 0.70 1.28 -0.33 0.00 2.07 -1.53 -1.27 116.25 117.17 3lur h VAL 109 Ca 0.15 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 3lur h VAL 109 Cb 0.30 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3lur h VAL 109 CO 0.00 0.41 0.19 1.56 0.02 0.00 0.00 177.57 179.76 3lur h GLN 110 N 0.51 0.45 -0.22 1.57 4.20 -0.91 -2.93 115.11 117.79 3lur h GLN 110 Ca 0.08 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3lur h GLN 110 Cb 0.69 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 3lur h GLN 110 CO 0.05 0.36 0.13 0.37 -0.67 0.00 0.00 178.83 179.06 3lur h GLN 111 N 0.42 0.30 -1.74 1.46 -0.00 -0.99 -1.20 115.11 113.35 3lur h GLN 111 Ca 0.12 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.74 3lur h GLN 111 Cb 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 27.48 27.45 3lur h GLN 111 CO -0.02 0.25 0.00 1.17 0.00 0.00 0.00 178.83 180.23 3lur n LYS 112 N -4.90 0.33 0.00 1.69 3.00 -0.49 -1.78 118.16 116.01 3lur n LYS 112 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 3lur n LYS 112 Cb 0.06 -1.34 0.00 0.00 0.00 0.00 0.00 35.03 33.75 3lur n LYS 112 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 3lur n GLU 114 N 1.04 0.00 -0.18 1.64 0.00 -0.46 -0.40 120.64 122.28 3lur n GLU 114 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.08 3lur n GLU 114 Cb 0.16 0.00 0.02 0.00 0.00 0.00 0.00 31.44 31.62 3lur n GLU 114 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3lur h GLU 115 N 0.00 0.77 -0.10 5.31 4.39 -1.62 -1.73 114.58 121.60 3lur h GLU 115 Ca 0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3lur h GLU 115 Cb 0.00 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3lur h GLU 115 CO 0.00 0.65 0.06 0.28 -1.16 0.00 0.00 179.01 178.84 3lur h VAL 116 N 0.70 1.01 -0.74 3.13 2.07 -1.00 0.12 116.25 121.53 3lur h VAL 116 Ca 0.18 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.72 3lur h VAL 116 Cb 0.15 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.74 3lur h VAL 116 CO -0.02 0.02 0.43 0.45 0.02 0.00 0.00 177.57 178.47 3lur h HIS 117 N 0.12 0.79 -0.52 1.57 3.86 -1.79 -0.47 115.15 118.71 3lur h HIS 117 Ca 0.04 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 3lur h HIS 117 Cb -0.00 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 3lur h HIS 117 CO -0.08 0.38 0.27 1.25 0.86 0.00 0.00 177.93 180.61 3lur h HIS 118 N 0.79 0.72 -0.65 2.45 6.17 -0.83 0.30 115.15 124.10 3lur h HIS 118 Ca 0.33 -0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.39 3lur h HIS 118 Cb 0.20 -0.23 -0.03 0.00 2.52 0.00 0.00 27.41 29.87 3lur h HIS 118 CO -0.06 0.55 0.40 -0.92 0.71 0.00 0.00 177.93 178.61 3lur h TYR 119 N 0.69 0.85 -0.42 5.26 3.20 -0.17 -1.28 116.97 125.09 3lur h TYR 119 Ca 0.18 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 3lur h TYR 119 Cb 0.08 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3lur h TYR 119 CO -0.01 0.57 0.05 0.82 -1.64 0.00 0.00 178.16 177.94 3lur h ILE 120 N 0.88 1.25 -0.20 1.81 2.04 -0.85 0.13 117.51 122.57 3lur h ILE 120 Ca 0.24 -0.92 0.02 0.00 1.00 0.00 0.00 64.86 65.19 3lur h ILE 120 Cb -0.04 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3lur h ILE 120 CO -0.05 0.32 0.14 -0.74 0.00 0.00 0.00 178.15 177.82 3lur h HIS 121 N 0.55 0.17 0.09 1.37 2.76 -0.57 0.07 115.15 119.60 3lur h HIS 121 Ca 0.12 0.00 -0.32 0.00 -2.20 0.00 0.00 60.37 57.98 3lur h HIS 121 Cb 0.41 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.29 3lur h HIS 121 CO 0.03 0.10 -1.72 1.96 -1.30 0.00 0.00 177.93 177.01 3lur h GLN 122 N 0.18 0.20 0.00 5.26 4.20 -0.90 -3.43 115.11 120.62 3lur h GLN 122 Ca 0.08 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3lur h GLN 122 Cb 0.11 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3lur h GLN 122 CO -0.01 1.16 0.00 0.66 -0.67 0.00 0.00 178.83 179.97 3lur n TYR 123 N -3.80 0.00 -2.42 2.96 4.01 0.41 -4.74 117.16 113.58 3lur n TYR 123 Ca -0.31 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.43 3lur n TYR 123 Cb 0.93 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 40.02 3lur n TYR 123 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3lur n GLN 124 N -0.30 1.28 -0.17 -0.72 1.13 -0.02 -4.92 117.38 113.66 3lur n GLN 124 Ca 0.00 -2.98 0.03 0.00 -1.94 0.00 0.00 57.00 52.11 3lur n GLN 124 Cb 0.03 -1.07 0.31 0.00 0.11 0.00 0.00 30.24 29.62 3lur n GLN 124 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3lur h ALA 125 N 1.70 1.58 -0.50 -1.58 0.00 -1.76 -2.10 119.26 116.60 3lur h ALA 125 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3lur h ALA 125 Cb 1.51 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3lur h ALA 125 CO 0.20 0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.89 3lur n ASN 126 N -4.45 3.39 -0.03 0.00 3.02 -1.26 -4.46 115.26 111.47 3lur n ASN 126 Ca 0.08 -1.97 -0.02 0.00 -0.03 0.00 0.00 54.58 52.64 3lur n ASN 126 Cb 0.10 -0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 38.89 3lur n ASN 126 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3lur n THR 127 N 1.14 0.39 -2.39 3.41 -1.04 -0.90 -4.97 114.28 109.93 3lur n THR 127 Ca 0.18 -0.26 -0.35 0.00 -2.04 0.00 0.00 64.05 61.58 3lur n THR 127 Cb 0.53 -0.72 -0.02 0.00 -1.82 0.00 0.00 70.33 68.30 3lur n THR 127 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3lur s VAL 128 N -2.18 3.43 0.03 12.58 0.11 -0.84 0.11 120.40 133.64 3lur s VAL 128 Ca -0.03 0.91 0.01 0.00 -2.93 0.00 0.00 61.98 59.94 3lur s VAL 128 Cb 0.02 -3.38 -0.04 0.00 -1.53 0.00 0.00 36.38 31.45 3lur s VAL 128 CO 0.26 -0.17 0.09 -0.54 -3.33 0.00 0.00 175.10 171.40 3lur s LYS 129 N -3.19 3.00 -0.90 1.54 1.02 -0.79 -4.68 119.74 115.73 3lur s LYS 129 Ca 0.69 -0.57 -0.17 0.00 0.02 0.00 0.00 55.97 55.94 3lur s LYS 129 Cb -0.21 -2.81 0.16 0.00 -0.52 0.00 0.00 37.83 34.45 3lur s LYS 129 CO 0.25 0.61 1.01 -1.54 -0.92 0.00 0.00 175.35 174.76 3lur s SER 130 N -2.05 6.68 0.26 2.83 1.04 -1.26 -4.75 113.70 116.45 3lur s SER 130 Ca 0.26 -2.28 -0.09 0.00 0.48 0.00 0.00 55.95 54.32 3lur s SER 130 Cb -0.12 -2.34 -0.01 0.00 0.10 0.00 0.00 66.02 63.65 3lur s SER 130 CO 0.18 -0.89 0.42 0.00 0.98 0.00 0.00 173.24 173.93 3lur s ALA 131 N 1.82 0.18 0.61 5.32 0.00 -1.26 -5.12 121.76 123.31 3lur s ALA 131 Ca 0.28 -1.14 -0.19 0.00 0.00 0.00 0.00 51.96 50.92 3lur s ALA 131 Cb -0.06 1.14 -0.03 0.00 0.00 0.00 0.00 23.12 24.17 3lur s ALA 131 CO -0.09 -0.80 1.26 -2.14 0.00 0.00 0.00 175.76 173.99 3lur s PRO 132 N -3.84 2.80 0.14 0.00 0.02 -1.26 -4.83 135.00 128.03 3lur s PRO 132 Ca 0.27 1.97 0.05 0.00 0.02 0.00 0.00 61.00 63.31 3lur s PRO 132 Cb 0.01 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 3lur s PRO 132 CO 0.12 -1.38 -0.12 -0.59 -0.33 0.00 0.00 177.00 174.70 3lur s PHE 133 N -1.48 1.35 0.05 6.54 -0.71 -0.73 -4.53 117.98 118.48 3lur s PHE 133 Ca 0.79 -0.66 -0.07 0.00 -1.04 0.00 0.00 56.93 55.96 3lur s PHE 133 Cb -0.34 -0.68 -0.01 0.00 -1.21 0.00 0.00 43.02 40.77 3lur s PHE 133 CO 0.37 0.13 0.14 -0.59 -1.34 0.00 0.00 175.22 173.93 3lur s PHE 134 N -2.81 0.17 -0.08 3.49 -0.71 -0.68 0.22 117.98 117.57 3lur s PHE 134 Ca 0.14 -0.50 -0.11 0.00 -1.04 0.00 0.00 56.93 55.42 3lur s PHE 134 Cb -0.01 -0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.65 3lur s PHE 134 CO 0.02 -0.43 0.27 -1.21 -1.34 0.00 0.00 175.22 172.52 3lur s GLU 135 N -3.03 3.77 -0.14 1.99 2.02 0.01 -0.22 118.70 123.10 3lur s GLU 135 Ca -0.01 0.11 0.01 0.00 0.02 0.00 0.00 54.97 55.10 3lur s GLU 135 Cb 0.01 -3.24 0.02 0.00 0.10 0.00 0.00 34.13 31.01 3lur s GLU 135 CO -0.06 0.65 -0.18 -1.17 0.02 0.00 0.00 175.26 174.52 3lur s LEU 136 N -0.78 1.91 -0.34 1.80 2.96 0.53 -0.93 118.68 123.83 3lur s LEU 136 Ca 0.18 -0.54 -0.06 0.00 -0.22 0.00 0.00 54.13 53.50 3lur s LEU 136 Cb -0.14 -1.30 0.04 0.00 0.50 0.00 0.00 46.19 45.30 3lur s LEU 136 CO 0.07 0.01 0.10 -0.31 -1.32 0.00 0.00 176.35 174.90 3lur s TYR 137 N 1.13 3.27 0.81 5.38 2.02 0.65 -2.05 117.35 128.56 3lur s TYR 137 Ca -0.01 -1.53 -0.12 0.00 -0.37 0.00 0.00 57.07 55.04 3lur s TYR 137 Cb -0.14 -2.31 0.07 0.00 -0.40 0.00 0.00 41.96 39.18 3lur s TYR 137 CO -0.06 -0.75 1.10 1.14 -1.57 0.00 0.00 175.55 175.40 3lur s GLN 138 N 1.37 2.02 0.64 -0.62 -2.07 -1.26 -1.20 119.66 118.54 3lur s GLN 138 Ca -0.02 0.60 -0.15 0.00 -1.82 0.00 0.00 55.36 53.98 3lur s GLN 138 Cb -0.20 -1.91 -0.01 0.00 -1.09 0.00 0.00 33.01 29.80 3lur s GLN 138 CO 0.02 -1.66 1.10 0.34 -1.32 0.00 0.00 175.29 173.77 3lur s ASP 139 N -3.93 5.28 0.00 12.60 2.15 -1.26 -4.94 116.67 126.57 3lur s ASP 139 Ca 0.61 1.94 0.00 0.00 0.43 0.00 0.00 52.55 55.53 3lur s ASP 139 Cb -0.14 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 3lur s ASP 139 CO 0.54 -1.52 0.00 0.61 -0.17 0.00 0.00 175.17 174.64 3lur n GLY 140 N -0.68 0.01 3.32 2.66 0.00 -1.26 -5.03 105.19 104.20 3lur n GLY 140 Ca 0.10 -1.42 -0.46 0.00 0.00 0.00 0.00 46.02 44.24 3lur n GLY 140 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3lur s ASP 141 N -4.00 6.45 0.00 1.61 2.15 -1.26 -4.92 116.67 116.71 3lur s ASP 141 Ca 0.00 -2.20 0.16 0.00 0.43 0.00 0.00 52.55 50.94 3lur s ASP 141 Cb 0.00 -2.21 0.79 0.00 -0.30 0.00 0.00 42.92 41.20 3lur s ASP 141 CO 0.00 -0.73 1.46 0.35 -0.17 0.00 0.00 175.17 176.07 3lur n THR 142 N 4.67 0.56 1.03 1.71 -2.24 -1.26 -1.56 114.28 117.20 3lur n THR 142 Ca -0.01 0.14 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 3lur n THR 142 Cb 0.43 -0.88 0.39 0.00 -2.10 0.00 0.00 70.33 68.17 3lur n THR 142 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3lur n THR 143 N -1.30 0.00 -2.54 4.28 -2.24 -1.26 -0.48 114.28 110.74 3lur n THR 143 Ca 0.07 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.48 3lur n THR 143 Cb 0.13 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 3lur n THR 143 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3lur s SER 144 N -2.95 6.84 0.00 3.42 0.15 -0.60 -4.58 113.70 115.98 3lur s SER 144 Ca 0.13 2.06 0.19 0.00 0.70 0.00 0.00 55.95 59.03 3lur s SER 144 Cb 0.18 -2.59 0.88 0.00 -1.71 0.00 0.00 66.02 62.78 3lur s SER 144 CO 0.63 -0.43 1.59 -0.62 1.20 0.00 0.00 173.24 175.60 3lur n GLU 145 N 0.12 0.15 0.00 5.44 -0.58 -1.26 -1.99 120.64 122.52 3lur n GLU 145 Ca 0.04 0.14 0.09 0.00 -0.42 0.00 0.00 57.16 57.02 3lur n GLU 145 Cb 0.49 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.91 3lur n GLU 145 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3lur n LYS 146 N -1.38 1.62 -2.03 3.49 4.76 -1.26 -2.86 118.16 120.49 3lur n LYS 146 Ca 0.07 -1.39 -0.41 0.00 -2.87 0.00 0.00 58.31 53.71 3lur n LYS 146 Cb 0.18 -1.36 -0.02 0.00 -1.84 0.00 0.00 35.03 31.99 3lur n LYS 146 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3lur s TYR 147 N -1.75 2.99 -0.20 2.13 5.04 -0.84 -4.66 117.35 120.06 3lur s TYR 147 Ca 0.20 1.18 -0.04 0.00 -2.44 0.00 0.00 57.07 55.96 3lur s TYR 147 Cb 0.15 -3.79 -0.02 0.00 0.35 0.00 0.00 41.96 38.65 3lur s TYR 147 CO 0.31 -2.41 -0.02 0.42 -1.34 0.00 0.00 175.55 172.51 3lur s ILE 148 N -0.51 3.79 -0.10 3.14 1.01 -1.26 -0.23 121.20 127.05 3lur s ILE 148 Ca 0.55 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.84 3lur s ILE 148 Cb -0.41 -2.71 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 3lur s ILE 148 CO 0.49 0.44 -0.10 -0.89 0.00 0.00 0.00 174.94 174.88 3lur s THR 149 N 0.99 3.41 0.05 2.92 2.01 -0.15 -4.62 115.64 120.25 3lur s THR 149 Ca 0.01 -0.57 -0.14 0.00 0.31 0.00 0.00 61.69 61.30 3lur s THR 149 Cb -0.14 -2.41 -0.06 0.00 0.01 0.00 0.00 72.50 69.90 3lur s THR 149 CO 0.01 0.56 0.45 -1.61 -0.69 0.00 0.00 174.62 173.34 3lur s GLU 150 N -0.26 3.92 -0.18 4.92 2.02 -0.87 -0.46 118.70 127.79 3lur s GLU 150 Ca 0.03 0.41 0.01 0.00 0.02 0.00 0.00 54.97 55.43 3lur s GLU 150 Cb -0.13 -3.11 0.02 0.00 0.10 0.00 0.00 34.13 31.00 3lur s GLU 150 CO 0.03 0.62 -0.19 0.42 0.02 0.00 0.00 175.26 176.16 3lur s ILE 151 N -1.23 2.19 0.43 -1.63 1.01 0.19 -0.35 121.20 121.81 3lur s ILE 151 Ca 0.29 -0.90 0.07 0.00 0.00 0.00 0.00 60.65 60.12 3lur s ILE 151 Cb -0.16 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 3lur s ILE 151 CO 0.16 0.53 0.29 0.26 0.00 0.00 0.00 174.94 176.18 3lur s TRP 152 N 1.27 2.57 -0.01 3.97 0.52 0.69 -0.28 118.94 127.67 3lur s TRP 152 Ca 0.04 -0.56 0.02 0.00 0.02 0.00 0.00 56.10 55.62 3lur s TRP 152 Cb -0.13 -2.06 -0.00 0.00 -1.15 0.00 0.00 33.47 30.13 3lur s TRP 152 CO -0.11 -0.02 -0.08 -1.25 0.02 0.00 0.00 176.95 175.51 3lur s PRO 154 N -4.04 0.71 0.14 4.98 0.04 -1.26 -1.69 135.00 133.87 3lur s PRO 154 Ca 0.44 -0.29 0.02 0.00 0.04 0.00 0.00 61.00 61.21 3lur s PRO 154 Cb 0.00 -0.68 -0.04 0.00 0.04 0.00 0.00 34.50 33.82 3lur s PRO 154 CO 0.25 0.16 -0.04 0.14 0.04 0.00 0.00 177.00 177.55 3lur s VAL 155 N -0.10 0.76 0.53 -0.36 -7.23 0.00 -1.89 120.40 112.10 3lur s VAL 155 Ca 0.02 -1.97 -0.20 0.00 -1.81 0.00 0.00 61.98 58.02 3lur s VAL 155 Cb -0.04 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 3lur s VAL 155 CO -0.00 -0.68 1.12 -0.54 -0.31 0.00 0.00 175.10 174.69 3lur s LYS 156 N -3.86 3.47 0.00 4.82 1.02 0.12 -3.90 119.74 121.41 3lur s LYS 156 Ca 0.18 1.59 0.00 0.00 0.02 0.00 0.00 55.97 57.76 3lur s LYS 156 Cb 0.05 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.30 3lur s LYS 156 CO -0.00 -0.75 0.00 0.41 -0.92 0.00 0.00 175.35 174.09