#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lur s GLU 2 N 0.00 1.02 0.24 1.61 2.02 -1.26 -5.09 118.70 117.24 3lur s GLU 2 Ca 0.00 -0.83 -0.22 0.00 0.02 0.00 0.00 54.97 53.94 3lur s GLU 2 Cb 0.00 -1.06 0.04 0.00 0.10 0.00 0.00 34.13 33.21 3lur s GLU 2 CO 0.00 0.26 0.81 1.52 0.02 0.00 0.00 175.26 177.87 3lur s TYR 3 N -0.89 -0.14 0.02 1.61 -0.85 -1.26 -4.61 117.35 111.22 3lur s TYR 3 Ca 0.03 -0.28 0.07 0.00 -0.52 0.00 0.00 57.07 56.37 3lur s TYR 3 Cb -0.08 0.69 -0.02 0.00 0.38 0.00 0.00 41.96 42.93 3lur s TYR 3 CO 0.02 -1.12 -0.21 -0.65 -1.52 0.00 0.00 175.55 172.07 3lur s GLN 4 N -3.57 1.52 -0.10 -3.49 -1.52 -0.43 -4.93 119.66 107.14 3lur s GLN 4 Ca 0.12 -0.87 -0.17 0.00 -1.95 0.00 0.00 55.36 52.49 3lur s GLN 4 Cb -0.04 -1.57 -0.05 0.00 -0.22 0.00 0.00 33.01 31.13 3lur s GLN 4 CO 0.06 0.41 0.45 -0.51 -0.25 0.00 0.00 175.29 175.45 3lur s LEU 5 N -0.90 4.31 0.02 2.90 1.43 -1.26 -0.21 118.68 124.96 3lur s LEU 5 Ca 0.08 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 3lur s LEU 5 Cb -0.09 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.47 3lur s LEU 5 CO 0.01 0.06 -0.03 -1.10 0.23 0.00 0.00 176.35 175.52 3lur s GLN 6 N 0.32 0.30 -0.14 1.70 -1.52 -0.25 -4.99 119.66 115.09 3lur s GLN 6 Ca 0.25 -0.55 0.02 0.00 -1.95 0.00 0.00 55.36 53.13 3lur s GLN 6 Cb -0.15 0.04 0.01 0.00 -0.22 0.00 0.00 33.01 32.68 3lur s GLN 6 CO 0.10 -0.03 -0.20 -1.14 -0.25 0.00 0.00 175.29 173.77 3lur s GLN 7 N -1.27 3.08 -0.10 2.91 0.74 -1.26 0.19 119.66 123.94 3lur s GLN 7 Ca -0.13 -0.83 -0.02 0.00 0.05 0.00 0.00 55.36 54.43 3lur s GLN 7 Cb -0.09 -2.47 -0.03 0.00 1.10 0.00 0.00 33.01 31.52 3lur s GLN 7 CO -0.01 0.02 0.01 -0.51 -0.55 0.00 0.00 175.29 174.25 3lur s LEU 8 N 0.75 3.59 0.89 3.68 1.43 0.06 -5.00 118.68 124.08 3lur s LEU 8 Ca -0.08 0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.02 3lur s LEU 8 Cb -0.16 -1.83 0.13 0.00 0.03 0.00 0.00 46.19 44.36 3lur s LEU 8 CO 0.00 0.36 1.17 0.00 0.23 0.00 0.00 176.35 178.11 3lur s ALA 9 N -0.75 2.11 0.30 4.21 0.00 -1.26 -1.99 121.76 124.38 3lur s ALA 9 Ca 0.12 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 3lur s ALA 9 Cb -0.12 -2.97 -0.12 0.00 0.00 0.00 0.00 23.12 19.92 3lur s ALA 9 CO 0.02 -2.13 1.59 0.45 0.00 0.00 0.00 175.76 175.70 3lur n SER 10 N -3.64 3.85 -4.14 0.00 2.88 -1.26 -4.44 113.62 106.86 3lur n SER 10 Ca 0.08 1.15 -0.19 0.00 -1.33 0.00 0.00 58.87 58.59 3lur n SER 10 Cb 0.60 -1.59 -0.13 0.00 -0.75 0.00 0.00 64.21 62.34 3lur n SER 10 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3lur s LEU 11 N -0.52 2.22 -0.21 2.46 1.43 -0.36 -4.95 118.68 118.75 3lur s LEU 11 Ca 0.64 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 53.06 3lur s LEU 11 Cb -0.50 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 3lur s LEU 11 CO 0.49 -0.04 0.36 -0.89 0.23 0.00 0.00 176.35 176.50 3lur s THR 12 N -1.07 5.22 -0.05 5.49 2.01 -1.26 0.11 115.64 126.10 3lur s THR 12 Ca -0.01 0.61 0.03 0.00 0.31 0.00 0.00 61.69 62.64 3lur s THR 12 Cb -0.09 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 3lur s THR 12 CO 0.02 0.25 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.31 3lur s LEU 13 N 1.36 2.79 -0.07 4.42 1.43 0.16 -1.70 118.68 127.06 3lur s LEU 13 Ca 0.17 -0.19 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3lur s LEU 13 Cb -0.15 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.51 3lur s LEU 13 CO 0.08 0.34 -0.14 -0.69 0.23 0.00 0.00 176.35 176.17 3lur s VAL 14 N -0.76 1.29 -0.53 -1.59 1.01 -0.09 -0.94 120.40 118.79 3lur s VAL 14 Ca 0.12 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3lur s VAL 14 Cb -0.11 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.11 3lur s VAL 14 CO 0.01 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.11 3lur n GLY 15 N 3.83 -0.85 3.12 4.51 0.00 0.05 -1.69 105.19 114.15 3lur n GLY 15 Ca -0.22 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.00 1.70 -0.09 -0.61 1.01 -0.29 -0.24 121.20 118.68 3lur s ILE 16 Ca 0.00 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 59.88 3lur s ILE 16 Cb 0.00 -1.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.94 3lur s ILE 16 CO 0.00 0.48 -0.13 -0.75 0.00 0.00 0.00 174.94 174.54 3lur s LYS 17 N 0.70 2.93 0.06 2.79 2.20 -1.26 -1.65 119.74 125.51 3lur s LYS 17 Ca -0.12 -0.69 0.07 0.00 -0.36 0.00 0.00 55.97 54.87 3lur s LYS 17 Cb -0.16 -2.51 -0.03 0.00 -1.51 0.00 0.00 37.83 33.62 3lur s LYS 17 CO 0.03 0.43 -0.19 -1.21 -0.36 0.00 0.00 175.35 174.04 3lur s GLU 18 N -0.22 1.19 -0.06 4.03 2.02 0.34 -4.99 118.70 121.01 3lur s GLU 18 Ca 0.01 -0.98 0.04 0.00 0.02 0.00 0.00 54.97 54.06 3lur s GLU 18 Cb -0.13 -1.32 -0.02 0.00 0.10 0.00 0.00 34.13 32.75 3lur s GLU 18 CO 0.03 0.32 -0.17 0.99 0.02 0.00 0.00 175.26 176.46 3lur s THR 19 N -0.95 2.81 0.25 3.63 2.01 -1.26 -0.25 115.64 121.88 3lur s THR 19 Ca 0.05 -0.80 0.10 0.00 0.31 0.00 0.00 61.69 61.35 3lur s THR 19 Cb -0.09 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.28 3lur s THR 19 CO 0.02 0.58 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.06 3lur s TYR 20 N -0.46 2.04 0.42 4.92 2.02 -1.26 -4.97 117.35 120.06 3lur s TYR 20 Ca 0.05 -0.46 0.19 0.00 -0.37 0.00 0.00 57.07 56.48 3lur s TYR 20 Cb -0.12 -0.94 1.12 0.00 -0.40 0.00 0.00 41.96 41.62 3lur s TYR 20 CO 0.02 0.54 1.99 1.49 -1.57 0.00 0.00 175.55 178.01 3lur h GLU 21 N 2.37 0.00 -2.32 -0.62 4.81 -1.94 -3.42 114.58 113.46 3lur h GLU 21 Ca -0.39 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.02 3lur h GLU 21 Cb 1.24 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 30.54 3lur h GLU 21 CO 0.62 0.19 0.49 0.54 -0.73 0.00 0.00 179.01 180.13 3lur s ASN 22 N -6.65 -0.17 0.51 1.04 2.20 -1.26 -3.77 114.94 106.84 3lur s ASN 22 Ca -0.03 -0.41 0.21 0.00 -0.94 0.00 0.00 52.86 51.69 3lur s ASN 22 Cb 0.14 0.48 1.31 0.00 -2.00 0.00 0.00 41.25 41.19 3lur s ASN 22 CO 0.66 -0.89 2.04 1.23 -2.94 0.00 0.00 177.10 177.19 3lur h GLY 23 N 2.00 0.08 0.56 0.45 0.00 -1.87 -0.88 103.07 103.40 3lur h GLY 23 Ca -0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 3lur h GLY 23 CO 0.25 0.01 -0.01 -0.09 0.00 0.00 0.00 176.54 176.71 3lur h ARG 24 N 0.06 -0.04 -0.57 4.80 2.43 -1.95 -0.45 114.38 118.65 3lur h ARG 24 Ca 0.19 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.30 3lur h ARG 24 Cb 0.67 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 3lur h ARG 24 CO -0.01 0.39 0.12 0.37 -1.51 0.00 0.00 179.97 179.34 3lur h GLN 25 N -0.48 0.89 -0.53 0.20 4.15 -1.84 -1.30 115.11 116.21 3lur h GLN 25 Ca -0.00 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.22 3lur h GLN 25 Cb 0.45 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 3lur h GLN 25 CO 0.01 0.81 0.33 0.00 -1.93 0.00 0.00 178.83 178.05 3lur h ALA 26 N 1.28 0.67 -0.86 3.38 0.00 -1.09 -2.64 119.26 120.00 3lur h ALA 26 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3lur h ALA 26 Cb 0.33 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3lur h ALA 26 CO 0.00 0.14 0.53 0.37 0.00 0.00 0.00 179.25 180.29 3lur h GLN 27 N 0.71 1.17 0.00 0.00 5.75 -0.58 -1.74 115.11 120.41 3lur h GLN 27 Ca 0.19 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.59 3lur h GLN 27 Cb -0.04 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.26 3lur h GLN 27 CO -0.04 0.81 0.00 1.96 -2.65 0.00 0.00 178.83 178.91 3lur h GLN 28 N 1.18 0.00 0.00 1.69 4.20 -0.91 -3.13 115.11 118.14 3lur h GLN 28 Ca 0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.02 3lur h GLN 28 Cb -0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.72 3lur h GLN 28 CO -0.06 0.00 -1.08 0.72 -0.67 0.00 0.00 178.83 177.74 3lur n HIS 29 N -2.75 0.00 -0.06 2.96 8.25 -0.89 -4.70 115.22 118.03 3lur n HIS 29 Ca -0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 3lur n HIS 29 Cb 0.20 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.16 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 0.66 -0.55 1.59 2.04 -1.28 -0.41 117.51 119.56 3lur h ILE 30 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3lur h ILE 30 Cb 0.47 0.66 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 3lur h ILE 30 CO 0.00 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.40 3lur h ALA 31 N 1.20 0.71 -0.19 1.87 0.00 -1.84 -1.43 119.26 119.58 3lur h ALA 31 Ca 0.14 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3lur h ALA 31 Cb 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3lur h ALA 31 CO -0.30 -0.11 -0.29 0.78 0.00 0.00 0.00 179.25 179.32 3lur h GLY 32 N 0.48 0.40 0.97 0.00 0.00 -1.75 -1.67 103.07 101.50 3lur h GLY 32 Ca 0.26 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 3lur h GLY 32 CO -0.21 0.30 -0.18 -2.75 0.00 0.00 0.00 176.54 173.71 3lur h PHE 33 N 0.33 -0.46 -0.55 5.60 3.04 -0.28 0.24 116.94 124.85 3lur h PHE 33 Ca 0.05 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.03 3lur h PHE 33 Cb 0.68 0.15 -0.05 0.00 2.56 0.00 0.00 35.95 39.30 3lur h PHE 33 CO 0.02 -0.26 0.29 -1.49 -2.02 0.00 0.00 178.31 174.85 3lur h TRP 34 N -0.54 0.53 -0.01 0.41 4.06 -1.18 -1.10 115.95 118.11 3lur h TRP 34 Ca -0.05 0.02 0.02 0.00 2.06 0.00 0.00 58.89 60.94 3lur h TRP 34 Cb 0.41 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.38 3lur h TRP 34 CO -0.04 0.26 -0.13 0.37 -3.56 0.00 0.00 178.44 175.33 3lur h GLN 35 N 0.55 -0.21 -0.87 0.49 4.15 -0.98 0.66 115.11 118.90 3lur h GLN 35 Ca 0.24 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.70 3lur h GLN 35 Cb 0.14 0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.83 3lur h GLN 35 CO -0.16 -0.14 0.57 0.00 -1.93 0.00 0.00 178.83 177.17 3lur h ARG 36 N -0.22 1.11 -0.61 1.69 3.08 -0.30 0.64 114.38 119.77 3lur h ARG 36 Ca 0.05 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3lur h ARG 36 Cb 0.29 -0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 3lur h ARG 36 CO -0.14 0.73 0.09 0.00 -1.07 0.00 0.00 179.97 179.58 3lur h TYR 38 N 0.94 -0.19 -0.87 0.00 0.05 -0.15 0.66 116.97 117.41 3lur h TYR 38 Ca 0.19 -0.00 0.05 0.00 0.05 0.00 0.00 58.73 59.01 3lur h TYR 38 Cb 0.42 0.06 -0.05 0.00 1.01 0.00 0.00 36.73 38.17 3lur h TYR 38 CO 0.03 0.00 0.57 1.96 -1.05 0.00 0.00 178.16 179.67 3lur h GLN 39 N -0.36 1.00 -0.00 4.88 4.20 -0.68 -1.17 115.11 122.97 3lur h GLN 39 Ca -0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3lur h GLN 39 Cb 0.28 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3lur h GLN 39 CO 0.03 0.66 -0.03 0.39 -0.67 0.00 0.00 178.83 179.21 3lur n GLU 40 N -4.47 0.89 -1.03 1.46 1.02 -0.16 -4.89 120.64 113.46 3lur n GLU 40 Ca 0.12 -0.20 -0.01 0.00 -0.02 0.00 0.00 57.16 57.06 3lur n GLU 40 Cb 0.16 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.08 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 1.16 0.50 0.26 0.62 0.00 -0.44 -4.94 105.19 102.35 3lur n GLY 41 Ca 0.19 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 1.28 -0.31 1.61 2.07 -1.08 -2.26 116.25 117.55 3lur h VAL 42 Ca -0.02 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 3lur h VAL 42 Cb 0.15 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3lur h VAL 42 CO 0.04 0.49 0.18 0.40 0.02 0.00 0.00 177.57 178.69 3lur h ILE 43 N 0.70 1.12 -0.64 4.57 1.08 -1.83 0.28 117.51 122.80 3lur h ILE 43 Ca 0.08 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 3lur h ILE 43 Cb 0.86 0.76 -0.03 0.00 -3.07 0.00 0.00 36.82 35.34 3lur h ILE 43 CO 0.08 0.12 0.35 0.00 -0.69 0.00 0.00 178.15 178.01 3lur h ALA 44 N 1.06 0.81 -0.22 1.87 0.00 -1.86 -1.68 119.26 119.24 3lur h ALA 44 Ca 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3lur h ALA 44 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3lur h ALA 44 CO -0.02 0.33 0.05 0.22 0.00 0.00 0.00 179.25 179.83 3lur h ASP 45 N 0.87 0.33 -0.76 0.00 3.58 -0.96 -3.04 116.42 116.43 3lur h ASP 45 Ca 0.22 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3lur h ASP 45 Cb 0.04 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 40.97 3lur h ASP 45 CO -0.04 0.49 0.48 -0.07 -2.88 0.00 0.00 179.24 177.22 3lur h LEU 46 N 0.17 0.90 -0.59 2.28 3.38 -0.76 -1.90 115.31 118.78 3lur h LEU 46 Ca 0.07 -0.05 0.12 0.00 0.09 0.00 0.00 57.88 58.11 3lur h LEU 46 Cb 0.29 -0.23 -0.11 0.00 0.09 0.00 0.00 40.66 40.70 3lur h LEU 46 CO 0.00 0.68 -0.11 1.56 0.09 0.00 0.00 178.44 180.66 3lur h GLN 47 N 1.04 0.03 -0.26 1.13 4.20 -1.26 -0.22 115.11 119.76 3lur h GLN 47 Ca 0.28 -0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.89 3lur h GLN 47 Cb -0.07 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 3lur h GLN 47 CO -0.06 0.02 -0.23 -0.07 -0.67 0.00 0.00 178.83 177.82 3lur h LEU 48 N 0.03 0.49 -0.00 1.46 4.07 -1.34 -3.08 115.31 116.95 3lur h LEU 48 Ca 0.29 -0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3lur h LEU 48 Cb 0.46 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3lur h LEU 48 CO -0.59 0.73 -0.03 0.29 -1.08 0.00 0.00 178.44 177.76 3lur n LYS 49 N -4.13 0.07 -2.01 1.13 5.02 -0.30 -4.82 118.16 113.11 3lur n LYS 49 Ca -0.00 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 3lur n LYS 49 Cb 0.39 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.93 6.68 0.00 4.39 3.84 -0.25 -4.67 114.94 121.99 3lur s ASN 50 Ca 0.16 2.33 0.20 0.00 0.21 0.00 0.00 52.86 55.77 3lur s ASN 50 Cb 0.19 -2.55 0.81 0.00 -0.55 0.00 0.00 41.25 39.15 3lur s ASN 50 CO 0.53 -0.86 1.57 -0.46 -2.79 0.00 0.00 177.10 175.09 3lur n ASN 51 N 5.99 1.33 0.00 -4.21 0.23 -0.95 -4.94 115.26 112.70 3lur n ASN 51 Ca 0.16 -1.66 0.00 0.00 -0.53 0.00 0.00 54.58 52.55 3lur n ASN 51 Cb 0.42 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 3lur n ASN 51 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3lur n GLY 52 N 1.06 1.28 0.27 4.83 0.00 -1.26 -4.92 105.19 106.43 3lur n GLY 52 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 0.41 -3.35 1.61 3.32 -1.92 -3.34 116.42 113.14 3lur h ASP 53 Ca 0.00 0.07 -0.67 0.00 0.02 0.00 0.00 57.03 56.45 3lur h ASP 53 Cb 0.00 0.01 -0.31 0.00 0.22 0.00 0.00 39.33 39.24 3lur h ASP 53 CO 0.00 0.23 -0.85 -0.76 -1.72 0.00 0.00 179.24 176.14 3lur s LEU 54 N -10.35 2.26 -1.26 1.55 1.43 -1.26 -5.07 118.68 105.99 3lur s LEU 54 Ca -0.13 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.33 3lur s LEU 54 Cb 0.18 -1.47 0.13 0.00 0.03 0.00 0.00 46.19 45.07 3lur s LEU 54 CO 0.76 0.16 1.61 0.00 0.23 0.00 0.00 176.35 179.11 3lur n ALA 55 N 3.50 3.93 0.00 4.21 0.00 -1.26 -4.70 120.51 126.20 3lur n ALA 55 Ca -0.19 -4.09 0.00 0.00 0.00 0.00 0.00 53.44 49.16 3lur n ALA 55 Cb 0.53 -3.27 0.00 0.00 0.00 0.00 0.00 19.45 16.71 3lur n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lur n GLY 56 N 4.48 1.80 3.83 0.00 0.00 -1.26 -4.11 105.19 109.92 3lur n GLY 56 Ca 0.42 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.96 4.99 -0.15 -0.61 1.01 -0.45 -4.70 121.20 119.32 3lur s ILE 57 Ca 0.00 0.90 -0.08 0.00 0.00 0.00 0.00 60.65 61.47 3lur s ILE 57 Cb 0.00 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3lur s ILE 57 CO 0.00 0.56 0.11 -0.76 0.00 0.00 0.00 174.94 174.85 3lur s LEU 58 N -1.00 4.16 -0.43 2.97 1.02 0.24 -0.23 118.68 125.40 3lur s LEU 58 Ca 0.25 0.30 -0.09 0.00 0.02 0.00 0.00 54.13 54.61 3lur s LEU 58 Cb -0.17 -2.03 0.09 0.00 0.02 0.00 0.00 46.19 44.10 3lur s LEU 58 CO 0.14 0.30 0.28 -0.83 0.02 0.00 0.00 176.35 176.26 3lur s GLY 59 N -0.34 1.99 -0.13 -3.19 0.00 -0.05 -1.03 107.32 104.57 3lur s GLY 59 Ca 0.11 -2.30 -0.04 0.00 0.00 0.00 0.00 44.72 42.48 3lur s GLY 59 CO 0.01 1.02 0.03 1.08 0.00 0.00 0.00 173.10 175.24 3lur s LEU 60 N 1.38 3.73 -0.27 0.66 1.02 -1.26 -1.44 118.68 122.50 3lur s LEU 60 Ca 0.04 0.14 -0.10 0.00 0.02 0.00 0.00 54.13 54.23 3lur s LEU 60 Cb -0.24 -1.89 -0.04 0.00 0.02 0.00 0.00 46.19 44.03 3lur s LEU 60 CO 0.01 0.30 0.16 0.00 0.02 0.00 0.00 176.35 176.83 3lur s ILE 62 N 1.67 3.13 0.31 0.00 1.01 0.43 -1.67 121.20 126.09 3lur s ILE 62 Ca 0.07 -1.57 -0.29 0.00 0.00 0.00 0.00 60.65 58.85 3lur s ILE 62 Cb -0.16 -2.91 -0.10 0.00 0.01 0.00 0.00 42.46 39.30 3lur s ILE 62 CO 0.09 -0.29 1.37 -2.84 0.00 0.00 0.00 174.94 173.27 3lur s PRO 63 N 1.23 4.29 0.45 2.79 0.02 -1.26 -0.34 135.00 142.18 3lur s PRO 63 Ca -0.01 2.29 0.04 0.00 0.02 0.00 0.00 61.00 63.34 3lur s PRO 63 Cb -0.21 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.20 3lur s PRO 63 CO -0.02 -0.31 0.02 -1.21 -0.33 0.00 0.00 177.00 175.15 3lur s GLU 64 N -1.34 2.04 0.76 5.54 0.41 -0.47 -4.88 118.70 120.77 3lur s GLU 64 Ca 0.53 -2.24 -0.15 0.00 -0.41 0.00 0.00 54.97 52.70 3lur s GLU 64 Cb -0.41 -1.43 0.06 0.00 -1.78 0.00 0.00 34.13 30.56 3lur s GLU 64 CO 0.51 -0.25 1.23 -0.51 -0.49 0.00 0.00 175.26 175.76 3lur s LEU 65 N -3.76 3.27 -1.54 1.80 1.43 -1.26 -3.76 118.68 114.86 3lur s LEU 65 Ca 0.20 2.45 -0.01 0.00 -1.03 0.00 0.00 54.13 55.74 3lur s LEU 65 Cb 0.05 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.68 3lur s LEU 65 CO 0.10 -2.49 0.15 0.47 0.23 0.00 0.00 176.35 174.82 3lur n ASP 66 N -2.89 -5.46 0.00 2.29 8.00 -1.26 -2.23 116.55 115.00 3lur n ASP 66 Ca 0.14 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3lur n ASP 66 Cb 0.50 -4.45 0.00 0.00 -0.02 0.00 0.00 41.12 37.14 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 -1.14 0.67 0.00 0.44 0.00 -1.25 -5.01 105.19 98.90 3lur n GLY 67 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 1.24 -3.83 1.61 5.02 -0.95 -4.13 118.16 115.12 3lur n LYS 68 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 3lur n LYS 68 Cb 0.03 0.00 -0.09 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 -1.22 -0.01 0.46 4.39 0.01 0.54 -1.36 113.70 116.52 3lur s SER 70 Ca 0.00 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.01 3lur s SER 70 Cb 0.00 0.28 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 3lur s SER 70 CO 0.00 -0.52 0.08 -0.47 0.41 0.00 0.00 173.24 172.74 3lur s TYR 71 N -2.23 1.80 -0.17 2.43 5.04 0.65 -0.43 117.35 124.45 3lur s TYR 71 Ca -0.08 -1.17 -0.06 0.00 -2.44 0.00 0.00 57.07 53.32 3lur s TYR 71 Cb -0.03 -1.34 0.08 0.00 0.35 0.00 0.00 41.96 41.03 3lur s TYR 71 CO -0.02 -0.10 0.35 0.42 -1.34 0.00 0.00 175.55 174.86 3lur s ILE 73 N -3.06 -0.50 0.24 3.14 1.01 -0.66 -0.50 121.20 120.87 3lur s ILE 73 Ca 0.15 0.21 -0.17 0.00 0.00 0.00 0.00 60.65 60.84 3lur s ILE 73 Cb 0.02 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 41.94 3lur s ILE 73 CO 0.10 0.09 0.57 0.00 0.00 0.00 0.00 174.94 175.70 3lur s ALA 74 N 2.42 -0.79 0.12 9.38 0.00 -0.20 -1.14 121.76 131.55 3lur s ALA 74 Ca -0.01 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.50 3lur s ALA 74 Cb -0.12 0.93 -0.04 0.00 0.00 0.00 0.00 23.12 23.89 3lur s ALA 74 CO -0.11 -0.90 -0.08 0.14 0.00 0.00 0.00 175.76 174.81 3lur s VAL 75 N -3.94 0.86 0.03 0.00 -7.23 -0.68 0.79 120.40 110.22 3lur s VAL 75 Ca 0.14 -1.98 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 3lur s VAL 75 Cb -0.03 -1.75 -0.06 0.00 0.56 0.00 0.00 36.38 35.11 3lur s VAL 75 CO 0.05 -0.82 1.34 0.42 -0.31 0.00 0.00 175.10 175.77 3lur s THR 76 N -3.52 3.75 0.00 5.32 -4.23 -1.26 -0.91 115.64 114.79 3lur s THR 76 Ca 0.14 1.19 0.00 0.00 -1.18 0.00 0.00 61.69 61.83 3lur s THR 76 Cb 0.04 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 70.12 3lur s THR 76 CO -0.03 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.70 3lur n GLY 77 N 3.50 -0.25 0.00 3.99 0.00 -0.69 -2.23 105.19 109.51 3lur n GLY 77 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.57 3lur n GLY 77 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3lur n ILE 83 N 0.00 0.00 0.02 -0.61 5.41 -1.26 -4.17 119.36 118.76 3lur n ILE 83 Ca 0.00 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.56 3lur n ILE 83 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 3lur n ILE 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3lur h ALA 84 N 0.00 0.19 -0.02 -1.39 0.00 -2.02 -3.23 119.26 112.80 3lur h ALA 84 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3lur h ALA 84 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3lur h ALA 84 CO 0.00 0.69 -0.04 0.36 0.00 0.00 0.00 179.25 180.26 3lur n LYS 85 N -3.88 1.76 -4.16 0.00 2.85 -1.26 -4.91 118.16 108.57 3lur n LYS 85 Ca -0.10 -1.19 -0.26 0.00 -1.05 0.00 0.00 58.31 55.71 3lur n LYS 85 Cb 0.84 -1.48 -0.07 0.00 -0.65 0.00 0.00 35.03 33.68 3lur n LYS 85 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3lur s TYR 86 N -2.06 2.97 0.28 5.58 2.02 -1.22 -5.06 117.35 119.86 3lur s TYR 86 Ca 0.33 -0.09 -0.29 0.00 -0.37 0.00 0.00 57.07 56.65 3lur s TYR 86 Cb 0.20 -1.43 -0.10 0.00 -0.40 0.00 0.00 41.96 40.24 3lur s TYR 86 CO 0.35 0.52 1.12 -0.51 -1.57 0.00 0.00 175.55 175.46 3lur s ASP 87 N -2.99 7.21 -0.08 2.29 -0.00 0.67 -4.85 116.67 118.91 3lur s ASP 87 Ca 0.29 2.32 0.02 0.00 -0.00 0.00 0.00 52.55 55.18 3lur s ASP 87 Cb -0.10 -2.63 0.01 0.00 -0.00 0.00 0.00 42.92 40.21 3lur s ASP 87 CO 0.20 -0.19 -0.13 -0.69 -0.00 0.00 0.00 175.17 174.36 3lur s VAL 88 N -1.14 1.27 0.23 -1.27 1.01 -1.26 -0.77 120.40 118.46 3lur s VAL 88 Ca 0.45 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3lur s VAL 88 Cb -0.33 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3lur s VAL 88 CO 0.42 0.39 -0.03 0.27 0.00 0.00 0.00 175.10 176.15 3lur s ILE 89 N 0.74 1.20 -0.22 2.22 -4.36 -0.11 -4.98 121.20 115.67 3lur s ILE 89 Ca -0.13 -2.06 -0.07 0.00 -0.26 0.00 0.00 60.65 58.13 3lur s ILE 89 Cb -0.16 -2.30 -0.03 0.00 1.25 0.00 0.00 42.46 41.22 3lur s ILE 89 CO 0.03 -0.38 0.07 -0.89 0.24 0.00 0.00 174.94 174.01 3lur s THR 90 N -3.31 4.47 -0.51 8.37 2.01 -1.26 -0.67 115.64 124.73 3lur s THR 90 Ca 0.27 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.95 3lur s THR 90 Cb 0.05 -3.06 0.06 0.00 0.01 0.00 0.00 72.50 69.56 3lur s THR 90 CO 0.08 0.38 0.66 -0.22 -0.69 0.00 0.00 174.62 174.83 3lur s LEU 91 N 1.18 4.90 0.64 4.42 2.96 0.12 -4.95 118.68 127.94 3lur s LEU 91 Ca 0.04 -0.89 -0.18 0.00 -0.22 0.00 0.00 54.13 52.89 3lur s LEU 91 Cb -0.14 -2.47 -0.01 0.00 0.50 0.00 0.00 46.19 44.06 3lur s LEU 91 CO 0.03 -0.93 1.24 0.00 -1.32 0.00 0.00 176.35 175.37 3lur s ALA 92 N 2.76 2.40 0.55 5.97 0.00 -1.26 -1.23 121.76 130.96 3lur s ALA 92 Ca 0.16 1.06 -0.21 0.00 0.00 0.00 0.00 51.96 52.98 3lur s ALA 92 Cb -0.19 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 3lur s ALA 92 CO 0.12 -1.46 1.13 -1.13 0.00 0.00 0.00 175.76 174.42 3lur n SER 93 N -1.92 1.62 -3.52 0.00 3.41 -1.26 -4.78 113.62 107.17 3lur n SER 93 Ca 0.14 0.91 -0.09 0.00 -0.26 0.00 0.00 58.87 59.58 3lur n SER 93 Cb 0.49 -1.46 -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 -1.04 -0.35 0.33 4.04 0.15 -0.84 -4.96 113.70 111.02 3lur s SER 94 Ca 0.72 0.07 -0.07 0.00 0.70 0.00 0.00 55.95 57.38 3lur s SER 94 Cb -0.44 0.36 -0.05 0.00 -1.71 0.00 0.00 66.02 64.17 3lur s SER 94 CO 0.49 -0.55 0.63 -0.54 1.20 0.00 0.00 173.24 174.47 3lur s LYS 95 N -2.74 3.67 0.00 5.44 1.02 -1.26 -0.76 119.74 125.12 3lur s LYS 95 Ca 0.04 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.18 3lur s LYS 95 Cb -0.01 -2.56 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 3lur s LYS 95 CO -0.07 0.12 0.00 0.66 -0.92 0.00 0.00 175.35 175.14 3lur n TYR 96 N -1.10 0.00 -3.25 3.18 4.02 0.13 -1.23 117.16 118.90 3lur n TYR 96 Ca -0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.90 57.92 3lur n TYR 96 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.82 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 1.17 -0.21 0.27 -0.72 1.01 0.70 -1.09 120.40 121.53 3lur s VAL 98 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 61.98 62.06 3lur s VAL 98 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3lur s VAL 98 CO 0.00 0.00 0.17 -0.36 0.00 0.00 0.00 175.10 174.91 3lur s PHE 99 N 2.25 2.99 -0.10 5.22 0.40 0.12 -1.31 117.98 127.54 3lur s PHE 99 Ca -0.01 -0.16 0.04 0.00 -0.60 0.00 0.00 56.93 56.20 3lur s PHE 99 Cb -0.03 -1.41 -0.00 0.00 0.51 0.00 0.00 43.02 42.08 3lur s PHE 99 CO -0.16 0.50 -0.23 -1.21 0.70 0.00 0.00 175.22 174.82 3lur s GLU 100 N -3.83 3.06 -0.20 0.44 2.02 -1.26 -0.07 118.70 118.87 3lur s GLU 100 Ca 0.34 -0.86 -0.05 0.00 0.02 0.00 0.00 54.97 54.41 3lur s GLU 100 Cb -0.07 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.80 3lur s GLU 100 CO 0.24 0.19 0.01 0.00 0.02 0.00 0.00 175.26 175.72 3lur s ALA 101 N 0.32 3.10 -0.15 5.21 0.00 0.12 -4.97 121.76 125.39 3lur s ALA 101 Ca -0.18 -0.94 -0.02 0.00 0.00 0.00 0.00 51.96 50.82 3lur s ALA 101 Cb -0.18 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 3lur s ALA 101 CO 0.08 -0.08 -0.07 -1.14 0.00 0.00 0.00 175.76 174.55 3lur s GLN 102 N 0.88 3.57 0.00 0.00 0.74 -1.26 -1.03 119.66 122.55 3lur s GLN 102 Ca 0.01 -0.58 0.00 0.00 0.05 0.00 0.00 55.36 54.84 3lur s GLN 102 Cb -0.14 -2.82 0.00 0.00 1.10 0.00 0.00 33.01 31.15 3lur s GLN 102 CO 0.02 0.23 0.00 0.41 -0.55 0.00 0.00 175.29 175.40 3lur n GLY 103 N 3.55 0.84 3.74 2.59 0.00 0.21 -4.87 105.19 111.25 3lur n GLY 103 Ca -0.18 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.34 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 -1.18 3.55 0.18 4.61 0.00 -1.16 -4.46 121.76 123.29 3lur s ALA 104 Ca 0.00 1.17 -0.19 0.00 0.00 0.00 0.00 51.96 52.94 3lur s ALA 104 Cb 0.00 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 3lur s ALA 104 CO 0.00 -0.59 0.67 0.08 0.00 0.00 0.00 175.76 175.92 3lur s VAL 105 N -0.06 4.65 -0.64 0.00 1.01 -0.12 -1.06 120.40 124.17 3lur s VAL 105 Ca 0.56 1.20 0.24 0.00 0.00 0.00 0.00 61.98 63.98 3lur s VAL 105 Cb -0.38 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.19 3lur s VAL 105 CO 0.41 0.29 1.31 -0.81 0.00 0.00 0.00 175.10 176.30 3lur n PRO 106 N 0.94 0.29 -0.21 2.72 -0.04 -1.26 -4.80 135.00 132.64 3lur n PRO 106 Ca -0.04 0.08 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 3lur n PRO 106 Cb 0.51 -1.68 0.12 0.00 -0.04 0.00 0.00 33.50 32.41 3lur n PRO 106 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3lur h LYS 107 N 0.00 0.19 -0.61 0.54 5.09 -1.92 0.27 116.57 120.12 3lur h LYS 107 Ca 0.00 -0.01 0.01 0.00 0.09 0.00 0.00 60.65 60.74 3lur h LYS 107 Cb 0.74 -0.04 -0.03 0.00 0.10 0.00 0.00 32.23 33.00 3lur h LYS 107 CO 0.00 0.12 0.41 0.00 -2.09 0.00 0.00 179.45 177.89 3lur h ALA 108 N 1.54 1.59 -0.01 0.07 0.00 -1.39 -0.64 119.26 120.43 3lur h ALA 108 Ca 0.34 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 55.02 3lur h ALA 108 Cb 0.54 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.11 3lur h ALA 108 CO -0.48 0.37 -0.74 0.28 0.00 0.00 0.00 179.25 178.68 3lur h VAL 109 N 0.81 1.38 -0.72 0.00 2.07 -1.24 -1.34 116.25 117.20 3lur h VAL 109 Ca 0.23 -2.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 3lur h VAL 109 Cb -0.06 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 3lur h VAL 109 CO -0.05 0.63 0.37 1.56 0.02 0.00 0.00 177.57 180.09 3lur h GLN 110 N 0.07 1.03 -0.32 1.57 4.20 -0.80 -2.95 115.11 117.92 3lur h GLN 110 Ca -0.09 -0.14 -0.15 0.00 0.06 0.00 0.00 58.65 58.33 3lur h GLN 110 Cb 1.43 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 3lur h GLN 110 CO 0.15 0.79 -0.40 1.96 -0.67 0.00 0.00 178.83 180.66 3lur h GLN 111 N 1.01 0.83 -1.79 1.46 4.20 -1.14 -2.67 115.11 117.01 3lur h GLN 111 Ca 0.25 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3lur h GLN 111 Cb 0.09 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.90 3lur h GLN 111 CO -0.03 1.10 0.00 1.17 -0.67 0.00 0.00 178.83 180.40 3lur n LYS 112 N -4.12 0.34 0.00 1.46 3.00 -0.51 -2.65 118.16 115.68 3lur n LYS 112 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 3lur n LYS 112 Cb 0.54 -1.33 0.00 0.00 0.00 0.00 0.00 35.03 34.24 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 1.22 0.00 -0.20 1.64 2.13 -1.01 -0.06 120.64 124.36 3lur n GLU 114 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 3lur n GLU 114 Cb 0.17 0.00 0.02 0.00 0.27 0.00 0.00 31.44 31.90 3lur n GLU 114 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3lur h GLU 115 N 0.00 1.02 0.07 5.31 5.08 -1.80 -2.16 114.58 122.10 3lur h GLU 115 Ca 0.00 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3lur h GLU 115 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3lur h GLU 115 CO 0.00 1.00 -0.04 0.28 -1.00 0.00 0.00 179.01 179.26 3lur h VAL 116 N 0.91 0.99 -0.84 3.13 2.07 -0.77 0.64 116.25 122.38 3lur h VAL 116 Ca 0.17 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.58 3lur h VAL 116 Cb 0.54 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 3lur h VAL 116 CO 0.03 0.05 0.49 0.45 0.02 0.00 0.00 177.57 178.60 3lur h HIS 117 N -0.19 0.88 -0.57 1.57 3.86 -1.80 -0.28 115.15 118.64 3lur h HIS 117 Ca -0.01 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.12 3lur h HIS 117 Cb 0.16 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 3lur h HIS 117 CO -0.04 0.37 -0.07 1.25 0.86 0.00 0.00 177.93 180.30 3lur h HIS 118 N 0.82 1.15 -0.09 2.45 6.17 -1.15 -1.14 115.15 123.36 3lur h HIS 118 Ca 0.40 -0.22 -0.00 0.00 0.71 0.00 0.00 60.37 61.25 3lur h HIS 118 Cb 0.35 -0.29 -0.00 0.00 2.52 0.00 0.00 27.41 29.98 3lur h HIS 118 CO -0.05 1.05 0.04 -0.92 0.71 0.00 0.00 177.93 178.76 3lur h TYR 119 N 0.93 0.12 -0.80 5.26 3.20 -0.29 -1.93 116.97 123.47 3lur h TYR 119 Ca 0.15 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3lur h TYR 119 Cb 0.63 -0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 3lur h TYR 119 CO 0.04 0.17 0.32 0.82 -1.64 0.00 0.00 178.16 177.87 3lur h ILE 120 N 0.03 1.26 -0.66 1.81 2.04 -0.98 0.12 117.51 121.13 3lur h ILE 120 Ca 0.03 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 3lur h ILE 120 Cb 0.09 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.45 3lur h ILE 120 CO -0.00 0.34 0.41 -0.74 0.00 0.00 0.00 178.15 178.16 3lur h HIS 121 N 1.17 0.87 0.05 1.37 2.76 -1.08 0.88 115.15 121.17 3lur h HIS 121 Ca 0.27 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 58.20 3lur h HIS 121 Cb 0.22 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 28.88 3lur h HIS 121 CO 0.02 0.58 -1.13 1.96 -1.30 0.00 0.00 177.93 178.06 3lur h GLN 122 N 0.90 0.10 0.00 5.26 4.20 -0.68 -3.37 115.11 121.52 3lur h GLN 122 Ca 0.24 -0.18 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 3lur h GLN 122 Cb -0.04 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3lur h GLN 122 CO -0.05 1.06 -1.47 0.66 -0.67 0.00 0.00 178.83 178.37 3lur n TYR 123 N -3.40 0.00 -2.31 2.96 4.01 0.35 -4.85 117.16 113.92 3lur n TYR 123 Ca -0.04 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.74 3lur n TYR 123 Cb 0.98 -0.34 0.06 0.00 -0.31 0.00 0.00 39.34 39.74 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 -2.26 0.48 -0.26 -0.72 1.13 -0.11 -4.94 117.38 110.70 3lur n GLN 124 Ca -0.11 -2.39 0.01 0.00 -1.94 0.00 0.00 57.00 52.57 3lur n GLN 124 Cb 0.72 -0.46 0.22 0.00 0.11 0.00 0.00 30.24 30.83 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 1.08 1.45 -0.11 -1.58 0.00 -1.08 -2.81 119.26 116.21 3lur h ALA 125 Ca -0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3lur h ALA 125 Cb 1.67 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3lur h ALA 125 CO 0.09 0.49 0.00 0.27 0.00 0.00 0.00 179.25 180.10 3lur n ASN 126 N -4.43 0.88 -0.13 0.00 0.23 -1.26 -3.06 115.26 107.49 3lur n ASN 126 Ca 0.10 -1.70 0.01 0.00 -0.53 0.00 0.00 54.58 52.47 3lur n ASN 126 Cb 0.07 -0.07 0.03 0.00 -2.08 0.00 0.00 39.78 37.73 3lur n ASN 126 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3lur n THR 127 N -0.15 0.95 -2.21 5.53 -2.24 -1.06 -4.98 114.28 110.11 3lur n THR 127 Ca 0.12 -0.97 -0.42 0.00 -2.27 0.00 0.00 64.05 60.52 3lur n THR 127 Cb 0.18 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 3lur n THR 127 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3lur s VAL 128 N -0.96 3.25 -0.10 2.28 0.11 -1.17 -0.09 120.40 123.71 3lur s VAL 128 Ca 0.05 0.99 -0.04 0.00 -2.93 0.00 0.00 61.98 60.05 3lur s VAL 128 Cb 0.03 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.21 3lur s VAL 128 CO 0.03 0.13 0.06 -0.75 -3.33 0.00 0.00 175.10 171.24 3lur s LYS 129 N 0.19 3.21 -0.90 1.54 2.20 -1.02 -4.67 119.74 120.30 3lur s LYS 129 Ca 0.59 -0.29 -0.22 0.00 -0.36 0.00 0.00 55.97 55.69 3lur s LYS 129 Cb -0.36 -2.97 0.08 0.00 -1.51 0.00 0.00 37.83 33.06 3lur s LYS 129 CO 0.36 0.72 1.25 0.45 -0.36 0.00 0.00 175.35 177.77 3lur s SER 130 N -0.89 6.45 0.32 1.43 0.15 -1.26 -4.75 113.70 115.15 3lur s SER 130 Ca 0.14 -1.46 -0.17 0.00 0.70 0.00 0.00 55.95 55.16 3lur s SER 130 Cb -0.12 -2.49 0.03 0.00 -1.71 0.00 0.00 66.02 61.74 3lur s SER 130 CO 0.03 -1.39 0.71 0.00 1.20 0.00 0.00 173.24 173.79 3lur s ALA 131 N 4.16 -0.79 0.48 5.45 0.00 -1.26 -5.05 121.76 124.76 3lur s ALA 131 Ca 0.37 -0.63 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 3lur s ALA 131 Cb -0.05 0.82 -0.07 0.00 0.00 0.00 0.00 23.12 23.82 3lur s ALA 131 CO -0.04 -0.98 1.27 -2.14 0.00 0.00 0.00 175.76 173.87 3lur s PRO 132 N -3.21 3.54 0.13 0.00 0.02 -1.26 -4.63 135.00 129.60 3lur s PRO 132 Ca 0.15 2.04 0.07 0.00 0.02 0.00 0.00 61.00 63.28 3lur s PRO 132 Cb -0.05 -2.41 -0.04 0.00 0.02 0.00 0.00 34.50 32.02 3lur s PRO 132 CO 0.10 -0.80 -0.16 -0.59 -0.33 0.00 0.00 177.00 175.22 3lur s PHE 133 N -1.39 1.55 0.19 6.54 -0.71 -0.67 -4.50 117.98 118.98 3lur s PHE 133 Ca 0.66 -0.52 -0.15 0.00 -1.04 0.00 0.00 56.93 55.88 3lur s PHE 133 Cb -0.35 -0.80 0.02 0.00 -1.21 0.00 0.00 43.02 40.67 3lur s PHE 133 CO 0.43 0.20 0.46 -0.59 -1.34 0.00 0.00 175.22 174.38 3lur s PHE 134 N -2.02 0.01 -0.11 3.49 -0.71 -0.83 -0.67 117.98 117.15 3lur s PHE 134 Ca 0.10 -0.36 -0.03 0.00 -1.04 0.00 0.00 56.93 55.61 3lur s PHE 134 Cb -0.06 0.28 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 3lur s PHE 134 CO 0.04 -0.87 -0.01 -1.21 -1.34 0.00 0.00 175.22 171.83 3lur s GLU 135 N -3.90 3.26 -0.19 1.99 2.02 -0.52 -0.10 118.70 121.26 3lur s GLU 135 Ca 0.11 -0.45 -0.02 0.00 0.02 0.00 0.00 54.97 54.63 3lur s GLU 135 Cb 0.00 -2.84 -0.01 0.00 0.10 0.00 0.00 34.13 31.38 3lur s GLU 135 CO -0.02 0.52 -0.09 -1.17 0.02 0.00 0.00 175.26 174.52 3lur s LEU 136 N -0.37 2.74 -0.42 1.80 2.96 0.33 -0.87 118.68 124.84 3lur s LEU 136 Ca 0.07 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 3lur s LEU 136 Cb -0.12 -1.67 0.11 0.00 0.50 0.00 0.00 46.19 45.00 3lur s LEU 136 CO 0.02 0.03 0.24 -0.31 -1.32 0.00 0.00 176.35 175.01 3lur s TYR 137 N 1.18 3.50 0.90 5.38 2.02 0.68 -2.01 117.35 129.01 3lur s TYR 137 Ca 0.02 -2.14 -0.11 0.00 -0.37 0.00 0.00 57.07 54.47 3lur s TYR 137 Cb -0.14 -3.21 0.14 0.00 -0.40 0.00 0.00 41.96 38.34 3lur s TYR 137 CO -0.03 -0.96 1.10 1.14 -1.57 0.00 0.00 175.55 175.24 3lur s GLN 138 N 1.24 1.16 0.38 -0.62 -2.07 -1.26 -1.35 119.66 117.14 3lur s GLN 138 Ca 0.06 1.17 -0.28 0.00 -1.82 0.00 0.00 55.36 54.49 3lur s GLN 138 Cb -0.24 -1.77 -0.11 0.00 -1.09 0.00 0.00 33.01 29.80 3lur s GLN 138 CO -0.02 -2.41 1.50 -0.25 -1.32 0.00 0.00 175.29 172.78 3lur n ASP 139 N -4.04 3.83 0.00 12.60 9.92 -1.26 -4.90 116.55 132.69 3lur n ASP 139 Ca 0.09 1.23 0.00 0.00 -0.53 0.00 0.00 54.79 55.57 3lur n ASP 139 Cb 0.53 -1.62 0.00 0.00 -0.64 0.00 0.00 41.12 39.39 3lur n ASP 139 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3lur n GLY 140 N 0.49 1.52 3.59 0.44 0.00 -1.26 -5.03 105.19 104.94 3lur n GLY 140 Ca 0.01 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 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 0.00 6.39 0.00 1.61 2.15 -1.26 -4.88 116.67 120.68 3lur s ASP 141 Ca 0.00 0.46 0.25 0.00 0.43 0.00 0.00 52.55 53.69 3lur s ASP 141 Cb 0.00 -2.55 1.22 0.00 -0.30 0.00 0.00 42.92 41.29 3lur s ASP 141 CO 0.00 -1.46 1.83 0.35 -0.17 0.00 0.00 175.17 175.72 3lur n THR 142 N 6.89 0.22 1.02 1.71 -2.24 -1.26 -2.83 114.28 117.79 3lur n THR 142 Ca 0.13 0.06 0.12 0.00 -2.27 0.00 0.00 64.05 62.08 3lur n THR 142 Cb 0.49 -0.64 0.27 0.00 -2.10 0.00 0.00 70.33 68.35 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 -1.34 0.00 -2.21 4.28 -2.24 -1.26 -0.94 114.28 110.57 3lur n THR 143 Ca 0.10 -0.01 -0.38 0.00 -2.27 0.00 0.00 64.05 61.50 3lur n THR 143 Cb 0.22 0.24 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 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 -2.96 6.19 0.00 3.42 0.15 -1.13 -4.49 113.70 114.87 3lur s SER 144 Ca 0.12 2.39 0.21 0.00 0.70 0.00 0.00 55.95 59.37 3lur s SER 144 Cb 0.18 -2.61 0.93 0.00 -1.71 0.00 0.00 66.02 62.80 3lur s SER 144 CO 0.68 -0.91 1.69 -0.62 1.20 0.00 0.00 173.24 175.28 3lur n GLU 145 N -0.35 0.02 0.00 5.44 -0.58 -1.26 -2.81 120.64 121.10 3lur n GLU 145 Ca 0.06 0.13 0.10 0.00 -0.42 0.00 0.00 57.16 57.04 3lur n GLU 145 Cb 0.47 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.92 3lur n GLU 145 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3lur n LYS 146 N -1.49 1.87 -1.92 3.49 2.85 -1.26 -3.26 118.16 118.44 3lur n LYS 146 Ca 0.05 -1.66 -0.41 0.00 -1.05 0.00 0.00 58.31 55.25 3lur n LYS 146 Cb 0.25 -1.40 -0.01 0.00 -0.65 0.00 0.00 35.03 33.21 3lur n LYS 146 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 3lur s TYR 147 N -1.82 2.81 -0.16 5.58 5.04 -1.12 -4.74 117.35 122.93 3lur s TYR 147 Ca 0.24 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 3lur s TYR 147 Cb 0.17 -3.90 0.00 0.00 0.35 0.00 0.00 41.96 38.58 3lur s TYR 147 CO 0.29 -2.70 -0.16 0.42 -1.34 0.00 0.00 175.55 172.07 3lur s ILE 148 N -0.81 2.61 -0.12 3.14 1.01 -1.26 -0.62 121.20 125.15 3lur s ILE 148 Ca 0.54 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 3lur s ILE 148 Cb -0.44 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.89 3lur s ILE 148 CO 0.55 0.51 0.02 -0.89 0.00 0.00 0.00 174.94 175.14 3lur s THR 149 N 0.87 4.47 -0.03 2.92 2.01 -0.20 -4.57 115.64 121.11 3lur s THR 149 Ca -0.04 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.66 3lur s THR 149 Cb -0.15 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 3lur s THR 149 CO -0.01 0.55 0.35 -1.61 -0.69 0.00 0.00 174.62 173.21 3lur s GLU 150 N -0.40 3.84 -0.23 4.92 2.02 -0.85 -0.70 118.70 127.29 3lur s GLU 150 Ca 0.08 0.29 -0.03 0.00 0.02 0.00 0.00 54.97 55.34 3lur s GLU 150 Cb -0.12 -3.23 0.01 0.00 0.10 0.00 0.00 34.13 30.89 3lur s GLU 150 CO 0.02 0.68 -0.06 0.42 0.02 0.00 0.00 175.26 176.34 3lur s ILE 151 N -0.98 3.04 0.40 -1.63 1.01 0.90 -0.52 121.20 123.43 3lur s ILE 151 Ca 0.22 -0.79 0.08 0.00 0.00 0.00 0.00 60.65 60.15 3lur s ILE 151 Cb -0.16 -2.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.84 3lur s ILE 151 CO 0.11 0.31 0.43 0.26 0.00 0.00 0.00 174.94 176.05 3lur s TRP 152 N 1.39 2.78 0.01 3.97 0.52 0.86 0.14 118.94 128.60 3lur s TRP 152 Ca 0.03 -0.43 0.01 0.00 0.02 0.00 0.00 56.10 55.72 3lur s TRP 152 Cb -0.15 -2.18 -0.01 0.00 -1.15 0.00 0.00 33.47 29.97 3lur s TRP 152 CO -0.05 -0.17 -0.03 -1.25 0.02 0.00 0.00 176.95 175.47 3lur s PRO 154 N -4.18 0.24 0.12 4.98 0.04 -1.26 -1.96 135.00 132.98 3lur s PRO 154 Ca 0.49 -0.31 0.06 0.00 0.04 0.00 0.00 61.00 61.28 3lur s PRO 154 Cb -0.06 -0.09 -0.04 0.00 0.04 0.00 0.00 34.50 34.35 3lur s PRO 154 CO 0.29 0.02 -0.15 0.14 0.04 0.00 0.00 177.00 177.34 3lur s VAL 155 N -0.61 1.37 0.41 -0.36 -7.23 -0.37 -2.43 120.40 111.18 3lur s VAL 155 Ca -0.05 -1.70 -0.24 0.00 -1.81 0.00 0.00 61.98 58.17 3lur s VAL 155 Cb -0.05 -1.53 -0.09 0.00 0.56 0.00 0.00 36.38 35.28 3lur s VAL 155 CO -0.00 -0.38 1.09 -0.54 -0.31 0.00 0.00 175.10 174.95 3lur s LYS 156 N -2.59 4.07 0.00 4.82 1.02 0.87 -4.10 119.74 123.83 3lur s LYS 156 Ca 0.09 1.61 0.00 0.00 0.02 0.00 0.00 55.97 57.68 3lur s LYS 156 Cb -0.05 -2.53 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 3lur s LYS 156 CO 0.03 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.63