#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lwx n ASN 7 N 0.00 6.91 -2.25 6.55 6.94 -1.26 -4.59 115.26 127.56 1lwx n ASN 7 Ca 0.00 -3.43 -0.32 0.00 -0.02 0.00 0.00 54.58 50.81 1lwx n ASN 7 Cb 0.00 -1.18 0.06 0.00 -2.36 0.00 0.00 39.78 36.30 1lwx n ASN 7 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1lwx n LYS 8 N 0.39 2.97 -2.60 -3.83 4.76 -1.26 -3.78 118.16 114.81 1lwx n LYS 8 Ca 0.51 -3.56 -0.37 0.00 -2.87 0.00 0.00 58.31 52.03 1lwx n LYS 8 Cb 0.42 -2.29 -0.05 0.00 -1.84 0.00 0.00 35.03 31.28 1lwx n LYS 8 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1lwx s GLU 9 N -3.76 4.28 0.17 1.97 2.12 -1.25 -4.84 118.70 117.38 1lwx s GLU 9 Ca 0.61 1.47 0.05 0.00 0.36 0.00 0.00 54.97 57.45 1lwx s GLU 9 Cb 0.48 -2.61 -0.05 0.00 0.26 0.00 0.00 34.13 32.21 1lwx s GLU 9 CO -0.00 -0.03 -0.09 1.03 -0.54 0.00 0.00 175.26 175.63 1lwx s ARG 10 N -2.39 1.16 0.08 4.30 0.52 -1.26 -0.85 118.95 120.51 1lwx s ARG 10 Ca 0.56 -1.51 -0.06 0.00 -0.52 0.00 0.00 55.73 54.20 1lwx s ARG 10 Cb -0.21 -0.72 -0.02 0.00 0.52 0.00 0.00 34.95 34.53 1lwx s ARG 10 CO 0.27 0.07 0.11 -0.08 0.02 0.00 0.00 175.30 175.68 1lwx s THR 11 N -3.27 0.17 -0.17 0.02 -1.32 -0.20 -4.65 115.64 106.21 1lwx s THR 11 Ca 0.20 -1.43 -0.01 0.00 -1.21 0.00 0.00 61.69 59.24 1lwx s THR 11 Cb 0.02 -1.43 -0.00 0.00 -1.51 0.00 0.00 72.50 69.58 1lwx s THR 11 CO 0.03 -0.76 -0.13 0.12 -2.21 0.00 0.00 174.62 171.67 1lwx s PHE 12 N -3.89 2.83 0.11 9.09 5.36 -1.26 -2.32 117.98 127.90 1lwx s PHE 12 Ca 0.06 -1.03 0.10 0.00 -0.96 0.00 0.00 56.93 55.10 1lwx s PHE 12 Cb 0.06 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.76 1lwx s PHE 12 CO -0.10 -0.50 -0.25 -0.51 -1.46 0.00 0.00 175.22 172.41 1lwx s LEU 13 N 0.98 2.30 -0.06 6.12 1.43 0.66 -1.71 118.68 128.39 1lwx s LEU 13 Ca -0.02 -0.71 -0.03 0.00 -1.03 0.00 0.00 54.13 52.35 1lwx s LEU 13 Cb -0.15 -1.10 0.04 0.00 0.03 0.00 0.00 46.19 45.01 1lwx s LEU 13 CO -0.02 0.14 0.13 0.00 0.23 0.00 0.00 176.35 176.83 1lwx s ALA 14 N -1.07 -0.17 -0.17 4.21 0.00 0.11 -1.25 121.76 123.41 1lwx s ALA 14 Ca 0.11 0.58 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 1lwx s ALA 14 Cb -0.10 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.47 1lwx s ALA 14 CO 0.05 -0.26 0.69 0.08 0.00 0.00 0.00 175.76 176.32 1lwx s VAL 15 N 1.47 4.99 0.54 0.00 1.01 -0.19 -0.83 120.40 127.40 1lwx s VAL 15 Ca -0.06 1.34 -0.02 0.00 0.00 0.00 0.00 61.98 63.25 1lwx s VAL 15 Cb -0.12 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1lwx s VAL 15 CO -0.05 0.11 0.79 -0.54 0.00 0.00 0.00 175.10 175.40 1lwx s LYS 16 N 1.84 2.80 0.62 2.72 1.02 -0.25 -1.52 119.74 126.96 1lwx s LYS 16 Ca 0.32 -0.42 0.23 0.00 0.02 0.00 0.00 55.97 56.13 1lwx s LYS 16 Cb -0.16 -2.43 0.98 0.00 -0.52 0.00 0.00 37.83 35.70 1lwx s LYS 16 CO 0.12 -0.60 1.45 -1.35 -0.92 0.00 0.00 175.35 174.05 1lwx h PRO 17 N 0.06 0.00 0.17 -1.68 0.11 -1.84 0.81 132.00 129.63 1lwx h PRO 17 Ca -0.45 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.32 1lwx h PRO 17 Cb 1.27 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.39 1lwx h PRO 17 CO 0.57 0.00 -1.71 0.38 -0.21 0.00 0.00 178.00 177.03 1lwx h ASP 18 N 0.00 0.56 0.29 -2.05 2.03 -1.89 -1.52 116.42 113.84 1lwx h ASP 18 Ca 0.31 -0.84 -0.10 0.00 -0.73 0.00 0.00 57.03 55.67 1lwx h ASP 18 Cb 2.18 -0.18 -0.01 0.00 -0.83 0.00 0.00 39.33 40.49 1lwx h ASP 18 CO -0.00 1.70 -0.42 1.23 -1.03 0.00 0.00 179.24 180.72 1lwx h GLY 19 N 0.93 0.20 0.35 7.15 0.00 0.31 -0.92 103.07 111.09 1lwx h GLY 19 Ca -0.32 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 1lwx h GLY 19 CO 0.17 0.17 -0.02 -2.08 0.00 0.00 0.00 176.54 174.78 1lwx h VAL 20 N 0.15 1.35 0.00 4.60 2.07 -0.83 -2.26 116.25 121.34 1lwx h VAL 20 Ca 0.01 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.11 1lwx h VAL 20 Cb 0.82 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1lwx h VAL 20 CO 0.06 0.35 0.00 0.00 0.02 0.00 0.00 177.57 178.01 1lwx h ALA 21 N 0.19 1.00 -0.09 1.67 0.00 -1.21 -2.49 119.26 118.33 1lwx h ALA 21 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1lwx h ALA 21 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1lwx h ALA 21 CO 0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.80 1lwx n ARG 22 N -2.89 1.42 -3.16 0.00 1.74 -0.36 -4.90 116.66 108.52 1lwx n ARG 22 Ca 0.00 -0.64 -0.15 0.00 -0.77 0.00 0.00 57.85 56.30 1lwx n ARG 22 Cb 0.24 -1.35 0.05 0.00 -1.02 0.00 0.00 32.46 30.37 1lwx n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1lwx n GLY 23 N 0.99 0.02 0.71 -0.13 0.00 -0.94 -4.97 105.19 100.88 1lwx n GLY 23 Ca 0.15 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1lwx n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lwx n LEU 24 N -3.27 2.54 -0.15 0.99 4.77 -0.85 -4.71 117.00 116.33 1lwx n LEU 24 Ca -0.00 -1.15 -0.06 0.00 -0.03 0.00 0.00 56.01 54.77 1lwx n LEU 24 Cb 0.54 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 1lwx n LEU 24 CO 0.40 0.49 1.03 0.58 -1.33 0.00 0.00 177.39 178.56 1lwx h VAL 25 N 3.26 1.03 -0.25 4.08 2.07 -1.86 -2.93 116.25 121.65 1lwx h VAL 25 Ca 0.00 -0.18 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 1lwx h VAL 25 Cb 0.72 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1lwx h VAL 25 CO 0.00 0.10 -0.45 1.23 0.02 0.00 0.00 177.57 178.47 1lwx h GLY 26 N 0.53 0.69 1.01 2.17 0.00 -1.96 -2.26 103.07 103.24 1lwx h GLY 26 Ca 0.19 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1lwx h GLY 26 CO -0.10 0.66 0.42 -2.09 0.00 0.00 0.00 176.54 175.43 1lwx h GLU 27 N 0.51 1.00 -0.08 4.80 4.57 -1.86 -1.42 114.58 122.10 1lwx h GLU 27 Ca 0.03 -0.11 -0.03 0.00 -1.18 0.00 0.00 59.36 58.08 1lwx h GLU 27 Cb 0.98 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1lwx h GLU 27 CO 0.09 0.73 -0.07 0.82 -1.18 0.00 0.00 179.01 179.40 1lwx h ILE 28 N 1.00 1.36 -0.47 2.32 2.04 -1.40 -2.62 117.51 119.74 1lwx h ILE 28 Ca 0.26 -1.21 0.05 0.00 1.00 0.00 0.00 64.86 64.96 1lwx h ILE 28 Cb 0.01 1.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 1lwx h ILE 28 CO -0.04 0.34 0.19 0.40 0.00 0.00 0.00 178.15 179.03 1lwx h ILE 29 N -0.23 0.88 -0.19 -0.67 2.04 -1.32 -2.03 117.51 115.99 1lwx h ILE 29 Ca 0.01 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.75 1lwx h ILE 29 Cb 0.58 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1lwx h ILE 29 CO 0.02 0.07 0.13 0.00 0.00 0.00 0.00 178.15 178.36 1lwx h ALA 30 N 1.29 1.90 -0.79 1.87 0.00 -1.23 -0.05 119.26 122.25 1lwx h ALA 30 Ca 0.22 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1lwx h ALA 30 Cb 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1lwx h ALA 30 CO -0.20 0.09 0.31 0.00 0.00 0.00 0.00 179.25 179.45 1lwx h ARG 31 N 0.23 1.19 0.08 0.00 3.08 -0.98 0.69 114.38 118.67 1lwx h ARG 31 Ca 0.07 -0.22 -0.27 0.00 0.07 0.00 0.00 59.98 59.64 1lwx h ARG 31 Cb 0.01 -0.19 0.01 0.00 0.08 0.00 0.00 29.97 29.89 1lwx h ARG 31 CO -0.01 0.97 -1.13 1.88 -1.07 0.00 0.00 179.97 180.60 1lwx h TYR 32 N 1.16 0.75 -0.19 3.04 0.05 -1.15 -2.79 116.97 117.83 1lwx h TYR 32 Ca 0.26 -0.46 -0.08 0.00 0.05 0.00 0.00 58.73 58.50 1lwx h TYR 32 Cb 0.22 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 1lwx h TYR 32 CO 0.02 1.31 -0.23 0.93 -1.05 0.00 0.00 178.16 179.14 1lwx h GLU 33 N 0.22 0.34 -0.08 4.88 5.08 -0.90 -2.54 114.58 121.59 1lwx h GLU 33 Ca -0.13 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.00 1lwx h GLU 33 Cb 1.80 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 31.01 1lwx h GLU 33 CO 0.20 0.56 -0.44 0.87 -1.00 0.00 0.00 179.01 179.21 1lwx h LYS 34 N 0.31 0.18 -0.14 2.33 1.57 -0.80 -3.12 116.57 116.89 1lwx h LYS 34 Ca 0.05 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1lwx h LYS 34 Cb 0.59 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1lwx h LYS 34 CO 0.04 0.59 -0.56 -0.22 -0.57 0.00 0.00 179.45 178.73 1lwx h LYS 35 N 0.15 0.43 0.00 3.15 1.63 -1.18 -3.47 116.57 117.27 1lwx h LYS 35 Ca 0.01 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 59.54 1lwx h LYS 35 Cb 0.83 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 1lwx h LYS 35 CO 0.06 0.87 0.00 0.41 -3.45 0.00 0.00 179.45 177.35 1lwx n GLY 36 N 0.24 0.72 3.76 5.01 0.00 -1.06 -5.11 105.19 108.75 1lwx n GLY 36 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1lwx n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1lwx s PHE 37 N -0.84 3.40 -0.16 1.61 0.08 -1.08 -4.78 117.98 116.22 1lwx s PHE 37 Ca 0.00 1.59 -0.10 0.00 0.12 0.00 0.00 56.93 58.55 1lwx s PHE 37 Cb 0.00 -3.42 -0.05 0.00 -0.57 0.00 0.00 43.02 38.99 1lwx s PHE 37 CO 0.00 -1.00 0.17 0.08 -0.10 0.00 0.00 175.22 174.36 1lwx s VAL 38 N -1.08 5.41 -0.20 -0.44 1.01 -0.49 -4.44 120.40 120.18 1lwx s VAL 38 Ca 0.46 0.27 -0.28 0.00 0.00 0.00 0.00 61.98 62.44 1lwx s VAL 38 Cb -0.34 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.56 1lwx s VAL 38 CO 0.44 0.50 0.95 -0.22 0.00 0.00 0.00 175.10 176.78 1lwx s LEU 39 N -0.17 4.14 0.00 3.92 2.96 -1.26 -0.67 118.68 127.59 1lwx s LEU 39 Ca 0.12 1.30 0.10 0.00 -0.22 0.00 0.00 54.13 55.43 1lwx s LEU 39 Cb -0.12 -3.42 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 1lwx s LEU 39 CO 0.02 -0.55 0.55 1.33 -1.32 0.00 0.00 176.35 176.38 1lwx n VAL 40 N 5.05 0.00 -3.57 1.68 0.24 -0.56 -4.96 118.33 116.20 1lwx n VAL 40 Ca 0.09 -0.36 -0.15 0.00 -2.04 0.00 0.00 64.34 61.87 1lwx n VAL 40 Cb 0.47 1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 33.86 1lwx n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1lwx s GLY 41 N -1.50 -0.49 -0.29 7.63 0.00 -1.21 0.03 107.32 111.49 1lwx s GLY 41 Ca 0.07 1.75 -0.16 0.00 0.00 0.00 0.00 44.72 46.38 1lwx s GLY 41 CO 0.29 1.30 0.93 -2.27 0.00 0.00 0.00 173.10 173.34 1lwx s LEU 42 N -0.55 -0.58 0.22 0.66 2.96 -1.26 -2.45 118.68 117.68 1lwx s LEU 42 Ca -0.05 0.93 -0.22 0.00 -0.22 0.00 0.00 54.13 54.57 1lwx s LEU 42 Cb -0.02 1.86 0.04 0.00 0.50 0.00 0.00 46.19 48.57 1lwx s LEU 42 CO 0.05 -0.15 0.67 -1.59 -1.32 0.00 0.00 176.35 174.01 1lwx s LYS 43 N 1.38 1.54 0.00 1.98 -2.85 -1.01 -5.04 119.74 115.73 1lwx s LYS 43 Ca -0.09 -0.74 0.08 0.00 -1.00 0.00 0.00 55.97 54.22 1lwx s LYS 43 Cb -0.04 0.60 -0.02 0.00 -2.06 0.00 0.00 37.83 36.31 1lwx s LYS 43 CO -0.16 -0.69 -0.25 -1.14 0.10 0.00 0.00 175.35 173.21 1lwx s GLN 44 N -3.83 1.95 0.22 1.78 0.74 -1.26 -1.79 119.66 117.46 1lwx s GLN 44 Ca 0.06 -0.97 -0.22 0.00 0.05 0.00 0.00 55.36 54.28 1lwx s GLN 44 Cb -0.04 -1.96 0.04 0.00 1.10 0.00 0.00 33.01 32.16 1lwx s GLN 44 CO -0.03 0.53 0.68 -0.48 -0.55 0.00 0.00 175.29 175.45 1lwx s LEU 45 N -0.81 -0.39 -0.35 3.68 2.34 -0.80 -4.99 118.68 117.34 1lwx s LEU 45 Ca 0.10 -0.33 -0.09 0.00 0.06 0.00 0.00 54.13 53.87 1lwx s LEU 45 Cb -0.10 2.63 0.03 0.00 -0.56 0.00 0.00 46.19 48.19 1lwx s LEU 45 CO 0.00 -1.15 0.16 -0.69 -1.06 0.00 0.00 176.35 173.61 1lwx s VAL 46 N -3.80 4.28 0.44 1.48 1.01 -1.26 -0.52 120.40 122.03 1lwx s VAL 46 Ca 0.07 -0.91 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 1lwx s VAL 46 Cb -0.04 -3.37 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 1lwx s VAL 46 CO -0.02 -0.18 1.24 -2.65 0.00 0.00 0.00 175.10 173.50 1lwx n PRO 47 N 4.93 1.81 -3.57 2.72 -0.02 -1.26 -5.01 135.00 134.60 1lwx n PRO 47 Ca -0.12 0.65 -0.31 0.00 -2.02 0.00 0.00 63.50 61.70 1lwx n PRO 47 Cb 0.46 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 1lwx n PRO 47 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1lwx s THR 48 N -1.23 5.09 0.30 3.45 -1.32 -1.26 -4.62 115.64 116.04 1lwx s THR 48 Ca 0.63 0.12 0.05 0.00 -1.21 0.00 0.00 61.69 61.28 1lwx s THR 48 Cb -0.50 -3.64 0.31 0.00 -1.51 0.00 0.00 72.50 67.16 1lwx s THR 48 CO 0.56 -0.05 1.67 0.50 -2.21 0.00 0.00 174.62 175.09 1lwx h LYS 49 N 2.56 0.28 0.00 7.08 3.64 -1.95 0.14 116.57 128.32 1lwx h LYS 49 Ca -0.46 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1lwx h LYS 49 Cb 1.17 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 1lwx h LYS 49 CO 0.71 0.19 -0.07 -0.44 -2.27 0.00 0.00 179.45 177.56 1lwx h ASP 50 N 0.29 0.00 0.29 4.20 3.32 -1.99 -0.91 116.42 121.62 1lwx h ASP 50 Ca 0.58 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.30 1lwx h ASP 50 Cb 1.18 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 1lwx h ASP 50 CO -0.60 0.07 -1.91 -0.11 -1.72 0.00 0.00 179.24 174.97 1lwx n LEU 51 N -3.22 1.58 -0.16 1.55 7.94 0.30 -2.95 117.00 122.03 1lwx n LEU 51 Ca 0.00 0.28 -0.08 0.00 -1.11 0.00 0.00 56.01 55.10 1lwx n LEU 51 Cb 0.32 -0.34 0.01 0.00 0.53 0.00 0.00 43.42 43.94 1lwx n LEU 51 CO 0.29 0.60 1.03 0.00 -1.11 0.00 0.00 177.39 178.19 1lwx h ALA 52 N 0.60 0.60 -0.08 1.96 0.00 -0.72 0.20 119.26 121.83 1lwx h ALA 52 Ca -0.37 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 1lwx h ALA 52 Cb 2.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.63 1lwx h ALA 52 CO 0.07 0.10 -0.69 0.93 0.00 0.00 0.00 179.25 179.66 1lwx h GLU 53 N 0.62 0.34 0.26 0.00 5.08 -1.31 -2.34 114.58 117.23 1lwx h GLU 53 Ca 0.17 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1lwx h GLU 53 Cb 0.02 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1lwx h GLU 53 CO -0.03 0.90 -0.13 0.77 -1.00 0.00 0.00 179.01 179.53 1lwx h SER 54 N 0.24 -0.30 -0.92 1.42 0.02 -1.40 -2.44 113.55 110.17 1lwx h SER 54 Ca -0.02 -0.21 0.14 0.00 -0.84 0.00 0.00 61.79 60.86 1lwx h SER 54 Cb 1.24 0.08 -0.15 0.00 0.14 0.00 0.00 62.40 63.71 1lwx h SER 54 CO 0.11 0.19 -0.40 -0.74 -1.14 0.00 0.00 176.83 174.85 1lwx h HIS 55 N -0.94 -1.15 -1.06 3.45 -0.00 -0.66 0.24 115.15 115.03 1lwx h HIS 55 Ca -0.04 0.10 -0.68 0.00 -0.00 0.00 0.00 60.37 59.76 1lwx h HIS 55 Cb 0.49 0.64 -0.30 0.00 -0.00 0.00 0.00 27.41 28.24 1lwx h HIS 55 CO 0.05 -0.40 0.78 0.66 -0.00 0.00 0.00 177.93 179.02 1lwx n TYR 56 N -5.45 3.19 -0.29 5.26 4.01 -0.88 -4.75 117.16 118.24 1lwx n TYR 56 Ca 0.08 -2.94 0.06 0.00 -0.16 0.00 0.00 57.90 54.95 1lwx n TYR 56 Cb 0.38 -1.36 0.27 0.00 -0.31 0.00 0.00 39.34 38.32 1lwx n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1lwx h ALA 57 N 2.09 1.58 0.00 -0.72 0.00 0.01 -2.18 119.26 120.04 1lwx h ALA 57 Ca 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1lwx h ALA 57 Cb 0.80 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1lwx h ALA 57 CO 1.53 0.26 0.00 1.05 0.00 0.00 0.00 179.25 182.09 1lwx h GLU 58 N 0.95 0.00 -0.29 0.00 4.11 -1.85 -2.06 114.58 115.44 1lwx h GLU 58 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.84 1lwx h GLU 58 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1lwx h GLU 58 CO -0.17 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.63 1lwx n HIS 59 N -2.59 0.74 -0.32 2.06 8.25 -0.82 -4.74 115.22 117.80 1lwx n HIS 59 Ca -0.02 -0.73 0.17 0.00 -0.26 0.00 0.00 57.72 56.89 1lwx n HIS 59 Cb 0.06 -0.20 0.42 0.00 1.12 0.00 0.00 29.99 31.39 1lwx n HIS 59 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1lwx h LYS 60 N 1.86 0.55 0.00 -0.41 3.64 -1.45 -1.98 116.57 118.78 1lwx h LYS 60 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1lwx h LYS 60 Cb 1.16 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1lwx h LYS 60 CO 0.13 0.36 -1.44 0.39 -2.27 0.00 0.00 179.45 176.63 1lwx n GLU 61 N -4.68 0.54 -1.92 1.90 1.02 -1.26 -4.90 120.64 111.34 1lwx n GLU 61 Ca 0.23 -0.05 -0.37 0.00 -0.02 0.00 0.00 57.16 56.96 1lwx n GLU 61 Cb 0.70 -1.64 0.04 0.00 -0.02 0.00 0.00 31.44 30.52 1lwx n GLU 61 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1lwx s ARG 62 N -3.39 3.03 0.13 3.49 1.81 -0.74 -4.94 118.95 118.34 1lwx s ARG 62 Ca -0.03 1.99 -0.30 0.00 -1.72 0.00 0.00 55.73 55.67 1lwx s ARG 62 Cb 0.13 -2.07 -0.07 0.00 -0.45 0.00 0.00 34.95 32.49 1lwx s ARG 62 CO 0.85 -1.20 1.58 -1.00 -0.68 0.00 0.00 175.30 174.84 1lwx h PRO 63 N 1.13 -0.50 0.00 3.54 0.13 -1.93 -2.65 132.00 131.73 1lwx h PRO 63 Ca -0.51 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1lwx h PRO 63 Cb 1.30 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1lwx h PRO 63 CO 0.56 -0.33 0.00 1.97 -0.23 0.00 0.00 178.00 179.97 1lwx n PHE 64 N -5.44 0.19 -0.08 1.56 1.16 -1.26 -3.82 117.46 109.77 1lwx n PHE 64 Ca -0.05 0.10 -0.12 0.00 -1.87 0.00 0.00 57.45 55.51 1lwx n PHE 64 Cb 0.37 -0.65 -0.06 0.00 -1.61 0.00 0.00 39.48 37.52 1lwx n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1lwx h PHE 65 N 0.00 -1.34 -0.48 2.97 3.57 -1.68 0.30 116.94 120.28 1lwx h PHE 65 Ca 0.00 0.06 0.09 0.00 3.53 0.00 0.00 57.97 61.65 1lwx h PHE 65 Cb 0.02 0.63 -0.08 0.00 2.79 0.00 0.00 35.95 39.30 1lwx h PHE 65 CO 0.00 -0.47 0.01 0.78 -2.23 0.00 0.00 178.31 176.40 1lwx h GLY 66 N -0.41 0.50 1.83 2.40 0.00 -1.81 0.34 103.07 105.91 1lwx h GLY 66 Ca 0.10 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1lwx h GLY 66 CO -0.51 -0.12 0.09 -1.33 0.00 0.00 0.00 176.54 174.67 1lwx h GLY 67 N 0.13 0.24 0.23 4.60 0.00 -1.36 -1.79 103.07 105.13 1lwx h GLY 67 Ca 0.24 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1lwx h GLY 67 CO -0.38 0.09 -0.04 -2.00 0.00 0.00 0.00 176.54 174.21 1lwx h LEU 68 N 0.23 -0.09 -0.93 3.11 5.85 0.87 -3.11 115.31 121.25 1lwx h LEU 68 Ca 0.06 -0.51 0.06 0.00 0.84 0.00 0.00 57.88 58.33 1lwx h LEU 68 Cb 0.01 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 1lwx h LEU 68 CO -0.01 0.58 0.59 0.58 -0.34 0.00 0.00 178.44 179.84 1lwx h VAL 69 N -0.88 1.06 -0.27 1.05 2.07 -0.87 -0.21 116.25 118.21 1lwx h VAL 69 Ca -0.01 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1lwx h VAL 69 Cb 0.60 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 1lwx h VAL 69 CO 0.02 0.19 0.12 0.28 0.02 0.00 0.00 177.57 178.20 1lwx h SER 70 N 1.07 0.32 0.01 0.57 0.02 -1.42 -3.09 113.55 111.02 1lwx h SER 70 Ca 0.40 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1lwx h SER 70 Cb 0.18 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1lwx h SER 70 CO -0.18 0.28 -0.00 0.15 -1.14 0.00 0.00 176.83 175.94 1lwx h PHE 71 N 0.37 -0.01 0.00 3.45 3.57 -1.06 -3.03 116.94 120.23 1lwx h PHE 71 Ca 0.09 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1lwx h PHE 71 Cb 0.05 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1lwx h PHE 71 CO 0.00 0.58 0.01 1.51 -2.23 0.00 0.00 178.31 178.19 1lwx n ILE 72 N -4.69 0.93 -0.08 1.41 3.06 -0.24 -0.08 119.36 119.67 1lwx n ILE 72 Ca -0.06 0.24 0.00 0.00 -2.50 0.00 0.00 62.75 60.43 1lwx n ILE 72 Cb 0.29 -1.24 0.00 0.00 0.54 0.00 0.00 39.64 39.23 1lwx n ILE 72 CO 0.00 0.00 0.00 0.35 -2.50 0.00 0.00 176.55 174.40 1lwx n THR 73 N -1.22 0.27 1.83 9.51 -2.24 -1.17 -4.26 114.28 116.99 1lwx n THR 73 Ca 0.00 -0.59 0.15 0.00 -2.27 0.00 0.00 64.05 61.34 1lwx n THR 73 Cb 0.01 0.92 0.87 0.00 -2.10 0.00 0.00 70.33 70.04 1lwx n THR 73 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1lwx n SER 74 N -0.13 0.00 -2.68 3.42 3.41 0.89 -4.82 113.62 113.71 1lwx n SER 74 Ca 0.00 -0.88 0.02 0.00 -0.26 0.00 0.00 58.87 57.75 1lwx n SER 74 Cb 0.09 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.03 1lwx n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1lwx n GLY 75 N 0.88 0.39 3.77 5.00 0.00 -1.26 -5.11 105.19 108.87 1lwx n GLY 75 Ca 0.22 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1lwx n GLY 75 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1lwx s PRO 76 N -2.01 4.24 0.02 1.61 0.04 -1.26 -4.21 135.00 133.42 1lwx s PRO 76 Ca 0.18 2.38 0.06 0.00 0.04 0.00 0.00 61.00 63.66 1lwx s PRO 76 Cb -0.00 -3.02 -0.02 0.00 0.04 0.00 0.00 34.50 31.50 1lwx s PRO 76 CO -0.00 -0.35 -0.18 0.08 0.04 0.00 0.00 177.00 176.59 1lwx s VAL 77 N -1.13 1.40 -0.30 -0.36 1.01 0.32 -3.12 120.40 118.21 1lwx s VAL 77 Ca 0.51 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1lwx s VAL 77 Cb -0.43 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 34.79 1lwx s VAL 77 CO 0.58 0.24 0.01 0.54 0.00 0.00 0.00 175.10 176.48 1lwx s VAL 78 N -0.62 3.15 0.07 2.92 0.11 -0.58 -1.91 120.40 123.54 1lwx s VAL 78 Ca 0.06 -1.27 -0.18 0.00 -2.93 0.00 0.00 61.98 57.65 1lwx s VAL 78 Cb -0.08 -2.78 -0.07 0.00 -1.53 0.00 0.00 36.38 31.93 1lwx s VAL 78 CO 0.01 -0.08 0.55 0.00 -3.33 0.00 0.00 175.10 172.24 1lwx s ALA 79 N 1.30 3.60 0.05 1.54 0.00 -0.74 -1.02 121.76 126.49 1lwx s ALA 79 Ca -0.04 -0.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 1lwx s ALA 79 Cb -0.19 -2.59 0.04 0.00 0.00 0.00 0.00 23.12 20.38 1lwx s ALA 79 CO -0.01 0.42 0.47 0.00 0.00 0.00 0.00 175.76 176.64 1lwx s MET 80 N -1.18 0.99 -0.13 0.00 0.23 -0.38 -2.41 119.30 116.42 1lwx s MET 80 Ca 0.29 -0.32 -0.01 0.00 -1.03 0.00 0.00 55.69 54.61 1lwx s MET 80 Cb -0.19 0.45 0.04 0.00 -1.53 0.00 0.00 34.83 33.60 1lwx s MET 80 CO 0.18 -0.35 -0.02 0.14 -2.03 0.00 0.00 175.02 172.94 1lwx s VAL 81 N -2.56 0.70 0.19 5.16 -7.23 -1.03 -0.25 120.40 115.39 1lwx s VAL 81 Ca -0.05 -0.29 0.01 0.00 -1.81 0.00 0.00 61.98 59.85 1lwx s VAL 81 Cb -0.01 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 1lwx s VAL 81 CO -0.03 0.14 0.36 -0.36 -0.31 0.00 0.00 175.10 174.90 1lwx s PHE 82 N 1.82 3.48 0.11 2.82 0.08 -0.98 -1.50 117.98 123.81 1lwx s PHE 82 Ca 0.03 0.22 0.05 0.00 0.12 0.00 0.00 56.93 57.34 1lwx s PHE 82 Cb -0.14 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1lwx s PHE 82 CO -0.07 0.42 -0.11 -2.00 -0.10 0.00 0.00 175.22 173.36 1lwx s GLU 83 N -3.42 0.94 0.00 0.44 2.12 0.15 -1.04 118.70 117.89 1lwx s GLU 83 Ca 0.37 -1.22 0.00 0.00 0.36 0.00 0.00 54.97 54.47 1lwx s GLU 83 Cb -0.11 -0.68 0.00 0.00 0.26 0.00 0.00 34.13 33.61 1lwx s GLU 83 CO 0.29 0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.54 1lwx n GLY 84 N 0.45 3.71 3.67 -1.50 0.00 -0.03 -1.40 105.19 110.10 1lwx n GLY 84 Ca -0.15 -1.32 -0.45 0.00 0.00 0.00 0.00 46.02 44.09 1lwx n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1lwx n LYS 85 N -1.64 2.20 -1.29 1.61 4.81 -1.25 -1.97 118.16 120.63 1lwx n LYS 85 Ca 0.00 0.79 -0.12 0.00 -0.87 0.00 0.00 58.31 58.11 1lwx n LYS 85 Cb 0.00 -2.56 -0.05 0.00 0.02 0.00 0.00 35.03 32.44 1lwx n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1lwx n GLY 86 N 3.32 1.15 0.46 3.14 0.00 -1.26 -4.81 105.19 107.19 1lwx n GLY 86 Ca 0.16 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.47 1lwx n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1lwx h VAL 87 N 0.00 0.55 0.08 1.61 3.04 -1.69 -2.04 116.25 117.80 1lwx h VAL 87 Ca -0.25 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1lwx h VAL 87 Cb 1.01 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 1lwx h VAL 87 CO 0.36 0.00 -0.04 0.58 -1.01 0.00 0.00 177.57 177.46 1lwx h VAL 88 N 0.00 1.17 -0.00 1.51 2.07 -1.85 -1.80 116.25 117.34 1lwx h VAL 88 Ca 0.42 -0.98 -0.15 0.00 0.82 0.00 0.00 66.70 66.81 1lwx h VAL 88 Cb 1.69 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 33.24 1lwx h VAL 88 CO -0.00 0.24 -0.70 0.00 0.02 0.00 0.00 177.57 177.13 1lwx h ALA 89 N 0.29 0.83 -0.15 1.67 0.00 -1.81 -2.82 119.26 117.28 1lwx h ALA 89 Ca -0.01 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 1lwx h ALA 89 Cb 0.47 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1lwx h ALA 89 CO 0.02 0.86 -0.25 1.03 0.00 0.00 0.00 179.25 180.91 1lwx h SER 90 N 0.02 0.48 0.04 0.00 0.87 -1.46 -1.83 113.55 111.67 1lwx h SER 90 Ca -0.01 -0.53 -0.04 0.00 -1.23 0.00 0.00 61.79 59.98 1lwx h SER 90 Cb 1.24 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 1lwx h SER 90 CO 0.09 0.93 -0.10 0.00 -0.53 0.00 0.00 176.83 177.21 1lwx h ALA 91 N 0.57 1.64 -0.12 6.23 0.00 -1.33 0.21 119.26 126.46 1lwx h ALA 91 Ca 0.01 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1lwx h ALA 91 Cb 0.83 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1lwx h ALA 91 CO 0.06 0.26 -0.49 0.00 0.00 0.00 0.00 179.25 179.08 1lwx h ARG 92 N 0.14 0.55 -0.46 0.00 2.47 -1.46 -2.29 114.38 113.34 1lwx h ARG 92 Ca 0.03 -0.42 0.01 0.00 -1.26 0.00 0.00 59.98 58.34 1lwx h ARG 92 Cb 0.28 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.66 1lwx h ARG 92 CO 0.02 1.05 0.28 1.25 0.56 0.00 0.00 179.97 183.13 1lwx h LEU 93 N 0.17 0.47 -1.45 3.04 5.85 -0.42 -2.09 115.31 120.88 1lwx h LEU 93 Ca -0.03 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1lwx h LEU 93 Cb 1.12 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1lwx h LEU 93 CO 0.10 0.34 -0.23 0.24 -0.34 0.00 0.00 178.44 178.55 1lwx h MET 94 N 0.57 0.00 0.04 1.25 2.86 -0.59 -2.83 114.93 116.23 1lwx h MET 94 Ca 0.18 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.56 1lwx h MET 94 Cb -0.02 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.65 1lwx h MET 94 CO -0.07 0.23 -1.05 0.82 1.06 0.00 0.00 176.91 177.90 1lwx h ILE 95 N 0.00 1.37 0.00 -1.22 2.04 -1.04 0.20 117.51 118.85 1lwx h ILE 95 Ca -0.00 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.38 1lwx h ILE 95 Cb 0.58 2.52 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1lwx h ILE 95 CO 0.03 0.75 0.00 0.61 0.00 0.00 0.00 178.15 179.54 1lwx n GLY 96 N 1.12 0.20 2.42 5.37 0.00 -0.82 -0.79 105.19 112.68 1lwx n GLY 96 Ca -0.09 -1.92 -0.18 0.00 0.00 0.00 0.00 46.02 43.83 1lwx n GLY 96 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1lwx n VAL 97 N 0.00 0.00 -0.30 1.61 0.24 -1.26 -4.68 118.33 113.94 1lwx n VAL 97 Ca 0.00 -1.45 -0.05 0.00 -2.04 0.00 0.00 64.34 60.80 1lwx n VAL 97 Cb 0.00 -0.03 0.07 0.00 -1.47 0.00 0.00 33.84 32.41 1lwx n VAL 97 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 1lwx h THR 98 N 0.79 1.24 -3.60 3.34 2.02 -1.97 -3.40 112.91 111.34 1lwx h THR 98 Ca -0.24 -0.60 -0.62 0.00 0.77 0.00 0.00 66.41 65.72 1lwx h THR 98 Cb 0.82 0.15 -0.13 0.00 -1.74 0.00 0.00 68.15 67.26 1lwx h THR 98 CO 0.38 0.27 -0.13 0.21 0.37 0.00 0.00 175.52 176.63 1lwx s ASN 99 N -6.14 6.39 0.49 4.18 3.04 -1.26 -4.64 114.94 117.00 1lwx s ASN 99 Ca -0.13 0.46 0.27 0.00 0.04 0.00 0.00 52.86 53.50 1lwx s ASN 99 Cb 0.16 -2.25 1.24 0.00 -1.54 0.00 0.00 41.25 38.86 1lwx s ASN 99 CO 0.81 -0.20 1.97 -0.65 -3.04 0.00 0.00 177.10 175.99 1lwx h PRO 100 N 7.88 0.00 0.00 0.43 0.11 -1.85 -2.64 132.00 135.92 1lwx h PRO 100 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1lwx h PRO 100 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1lwx h PRO 100 CO 0.69 0.16 0.00 -0.07 -0.21 0.00 0.00 178.00 178.57 1lwx h LEU 101 N 0.00 0.00 -3.00 2.35 3.38 -1.79 -2.97 115.31 113.28 1lwx h LEU 101 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1lwx h LEU 101 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1lwx h LEU 101 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1lwx n ALA 102 N -1.91 2.58 -2.56 1.53 0.00 -1.00 -4.95 120.51 114.20 1lwx n ALA 102 Ca 0.03 -1.50 -0.39 0.00 0.00 0.00 0.00 53.44 51.58 1lwx n ALA 102 Cb 0.32 -0.68 -0.06 0.00 0.00 0.00 0.00 19.45 19.04 1lwx n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1lwx s SER 103 N -1.17 6.89 0.44 0.00 0.01 -1.12 -4.84 113.70 113.90 1lwx s SER 103 Ca 0.37 1.06 -0.25 0.00 1.31 0.00 0.00 55.95 58.43 1lwx s SER 103 Cb 0.23 -2.34 -0.08 0.00 0.21 0.00 0.00 66.02 64.04 1lwx s SER 103 CO 0.19 0.09 1.37 0.00 0.41 0.00 0.00 173.24 175.29 1lwx s ALA 104 N -0.01 3.22 0.31 1.44 0.00 -1.26 -4.46 121.76 121.00 1lwx s ALA 104 Ca 0.29 1.35 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 1lwx s ALA 104 Cb -0.17 -3.54 -0.12 0.00 0.00 0.00 0.00 23.12 19.29 1lwx s ALA 104 CO 0.15 -1.04 1.52 -2.30 0.00 0.00 0.00 175.76 174.10 1lwx n PRO 105 N -0.11 2.56 0.00 0.00 -0.02 -1.26 -2.57 135.00 133.60 1lwx n PRO 105 Ca 0.05 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1lwx n PRO 105 Cb 0.43 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.26 1lwx n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lwx n GLY 106 N 1.67 2.17 3.96 -1.23 0.00 -1.26 -4.98 105.19 105.52 1lwx n GLY 106 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1lwx n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1lwx s SER 107 N -1.82 6.32 0.09 1.61 1.04 -1.06 -4.93 113.70 114.95 1lwx s SER 107 Ca 0.00 0.22 -0.35 0.00 0.48 0.00 0.00 55.95 56.30 1lwx s SER 107 Cb 0.00 -1.93 -0.15 0.00 0.10 0.00 0.00 66.02 64.04 1lwx s SER 107 CO 0.00 -0.13 1.57 0.40 0.98 0.00 0.00 173.24 176.06 1lwx h ILE 108 N 1.09 0.05 -0.17 -1.02 2.04 -0.63 -0.83 117.51 118.03 1lwx h ILE 108 Ca -0.51 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1lwx h ILE 108 Cb 1.22 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1lwx h ILE 108 CO 0.62 0.00 -0.05 0.03 0.00 0.00 0.00 178.15 178.75 1lwx h ARG 109 N -0.89 0.25 -0.16 2.37 3.08 -1.21 -2.01 114.38 115.79 1lwx h ARG 109 Ca -0.04 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1lwx h ARG 109 Cb 0.81 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1lwx h ARG 109 CO -0.14 0.32 -0.15 0.78 -1.07 0.00 0.00 179.97 179.71 1lwx h GLY 110 N 0.60 0.29 0.72 0.04 0.00 -1.59 -0.91 103.07 102.22 1lwx h GLY 110 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1lwx h GLY 110 CO 0.01 0.17 -1.23 1.22 0.00 0.00 0.00 176.54 176.72 1lwx n ASP 111 N -4.24 0.62 0.00 0.19 8.00 -0.37 -4.60 116.55 116.15 1lwx n ASP 111 Ca -0.01 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1lwx n ASP 111 Cb 0.29 0.84 0.00 0.00 -0.02 0.00 0.00 41.12 42.23 1lwx n ASP 111 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1lwx n PHE 112 N -2.47 0.00 -4.16 1.24 3.72 -0.81 -5.07 117.46 109.90 1lwx n PHE 112 Ca -0.01 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.16 1lwx n PHE 112 Cb 0.54 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.01 1lwx n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1lwx s GLY 113 N -0.69 1.82 0.00 1.37 0.00 -0.37 -5.01 107.32 104.44 1lwx s GLY 113 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1lwx s GLY 113 CO 0.00 -1.73 0.00 3.33 0.00 0.00 0.00 173.10 174.70 1lwx n VAL 114 N -1.07 0.00 -4.93 1.40 0.24 -1.26 -4.43 118.33 108.28 1lwx n VAL 114 Ca -0.04 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.97 1lwx n VAL 114 Cb 0.60 0.22 -0.17 0.00 -1.47 0.00 0.00 33.84 33.03 1lwx n VAL 114 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1lwx s ASP 115 N 0.00 2.54 0.52 -1.34 2.15 -1.26 -4.49 116.67 114.78 1lwx s ASP 115 Ca 0.00 -0.45 0.22 0.00 0.43 0.00 0.00 52.55 52.75 1lwx s ASP 115 Cb 0.00 -1.16 1.33 0.00 -0.30 0.00 0.00 42.92 42.79 1lwx s ASP 115 CO 0.00 0.10 2.02 -0.37 -0.17 0.00 0.00 175.17 176.76 1lwx h VAL 116 N 5.83 0.80 0.00 1.11 -1.51 -1.97 0.10 116.25 120.61 1lwx h VAL 116 Ca -0.24 -0.02 -0.03 0.00 -1.23 0.00 0.00 66.70 65.18 1lwx h VAL 116 Cb 1.22 0.75 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 1lwx h VAL 116 CO 0.47 0.01 -0.12 1.23 -1.23 0.00 0.00 177.57 177.93 1lwx h GLY 117 N 0.05 0.00 -6.49 5.19 0.00 -1.94 -3.26 103.07 96.61 1lwx h GLY 117 Ca 0.21 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.94 1lwx h GLY 117 CO -0.01 0.00 -0.74 0.54 0.00 0.00 0.00 176.54 176.33 1lwx n ARG 118 N -3.47 1.58 -0.02 4.80 5.12 0.02 -4.95 116.66 119.74 1lwx n ARG 118 Ca -0.01 -4.11 0.13 0.00 -1.93 0.00 0.00 57.85 51.93 1lwx n ARG 118 Cb 0.28 -1.99 0.61 0.00 -1.16 0.00 0.00 32.46 30.20 1lwx n ARG 118 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1lwx n ALA 119 N 1.67 2.60 0.00 7.54 0.00 -1.22 -4.36 120.51 126.75 1lwx n ALA 119 Ca 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1lwx n ALA 119 Cb 0.42 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1lwx n ALA 119 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1lwx n ILE 120 N -0.35 0.00 -3.80 0.00 5.41 -1.26 -4.76 119.36 114.60 1lwx n ILE 120 Ca 0.18 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.81 1lwx n ILE 120 Cb 0.21 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 39.03 1lwx n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1lwx s ILE 121 N 0.00 0.02 -0.15 1.39 2.07 -1.26 -1.09 121.20 122.19 1lwx s ILE 121 Ca 0.00 -0.20 -0.05 0.00 -1.41 0.00 0.00 60.65 58.99 1lwx s ILE 121 Cb 0.00 -0.40 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 1lwx s ILE 121 CO 0.00 -0.11 0.02 -2.28 -1.91 0.00 0.00 174.94 170.66 1lwx s HIS 122 N -0.36 3.18 -0.05 3.50 5.65 -0.01 -4.94 115.29 122.27 1lwx s HIS 122 Ca -0.05 0.03 0.02 0.00 0.25 0.00 0.00 55.06 55.32 1lwx s HIS 122 Cb -0.03 -1.96 0.01 0.00 -1.18 0.00 0.00 32.58 29.42 1lwx s HIS 122 CO 0.01 0.22 -0.11 0.20 -0.65 0.00 0.00 174.74 174.41 1lwx s GLY 123 N -0.04 0.68 0.35 1.59 0.00 -1.26 -0.71 107.32 107.93 1lwx s GLY 123 Ca 0.04 -0.36 -0.26 0.00 0.00 0.00 0.00 44.72 44.14 1lwx s GLY 123 CO 0.02 0.07 1.02 1.44 0.00 0.00 0.00 173.10 175.64 1lwx n SER 124 N 3.64 1.33 -0.20 1.64 7.64 -0.69 -4.93 113.62 122.05 1lwx n SER 124 Ca -0.22 1.11 0.11 0.00 1.01 0.00 0.00 58.87 60.89 1lwx n SER 124 Cb 0.52 -1.33 0.07 0.00 -1.01 0.00 0.00 64.21 62.47 1lwx n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1lwx n ASP 125 N 0.90 1.25 -3.49 6.43 5.68 -1.26 -4.79 116.55 121.26 1lwx n ASP 125 Ca 0.09 -1.01 -0.12 0.00 -0.50 0.00 0.00 54.79 53.25 1lwx n ASP 125 Cb 0.36 0.54 -0.03 0.00 -1.14 0.00 0.00 41.12 40.85 1lwx n ASP 125 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1lwx s SER 126 N -2.74 -0.49 0.27 -1.12 1.04 -1.26 -4.94 113.70 104.45 1lwx s SER 126 Ca 0.15 0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.80 1lwx s SER 126 Cb 0.18 0.47 0.59 0.00 0.10 0.00 0.00 66.02 67.36 1lwx s SER 126 CO 0.68 -0.69 1.76 0.58 0.98 0.00 0.00 173.24 176.55 1lwx h VAL 127 N 2.30 0.70 -0.94 5.02 2.07 -1.93 -0.04 116.25 123.42 1lwx h VAL 127 Ca -0.26 -0.22 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1lwx h VAL 127 Cb 1.23 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.97 1lwx h VAL 127 CO 0.35 0.11 0.62 -0.33 0.02 0.00 0.00 177.57 178.35 1lwx h GLU 128 N 0.63 1.23 0.00 1.57 3.07 -1.99 -2.23 114.58 116.87 1lwx h GLU 128 Ca 0.50 -0.07 -0.17 0.00 -0.50 0.00 0.00 59.36 59.11 1lwx h GLU 128 Cb 0.75 -0.28 -0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1lwx h GLU 128 CO -0.38 0.82 -0.82 1.03 -1.40 0.00 0.00 179.01 178.25 1lwx h SER 129 N 1.27 0.00 0.69 1.42 0.87 -1.51 -2.62 113.55 113.66 1lwx h SER 129 Ca 0.35 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.88 1lwx h SER 129 Cb -0.13 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 1lwx h SER 129 CO -0.08 0.82 -0.41 0.00 -0.53 0.00 0.00 176.83 176.63 1lwx h ALA 130 N 1.18 -1.06 -0.78 6.23 0.00 -0.73 0.21 119.26 124.31 1lwx h ALA 130 Ca -0.01 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.85 1lwx h ALA 130 Cb 1.59 0.50 -0.11 0.00 0.00 0.00 0.00 17.79 19.78 1lwx h ALA 130 CO 0.11 -1.11 0.27 -0.91 0.00 0.00 0.00 179.25 177.61 1lwx h ASN 131 N -1.03 0.19 -0.05 0.00 2.35 -1.45 0.78 115.58 116.37 1lwx h ASN 131 Ca -0.09 0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1lwx h ASN 131 Cb 0.83 0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.34 1lwx h ASN 131 CO 0.10 0.03 0.01 -0.09 -1.65 0.00 0.00 177.43 175.83 1lwx h ARG 132 N 0.37 0.08 -0.10 0.81 2.43 -1.19 -2.85 114.38 113.93 1lwx h ARG 132 Ca 0.44 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.52 1lwx h ARG 132 Cb 0.74 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1lwx h ARG 132 CO -0.47 0.29 -0.29 0.93 -1.51 0.00 0.00 179.97 178.91 1lwx h GLU 133 N -0.14 0.18 0.19 0.20 5.08 0.20 -2.23 114.58 118.05 1lwx h GLU 133 Ca 0.02 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1lwx h GLU 133 Cb 0.24 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1lwx h GLU 133 CO 0.00 0.46 -0.09 0.82 -1.00 0.00 0.00 179.01 179.20 1lwx h ILE 134 N 0.16 0.00 -1.34 3.13 2.04 0.43 -2.06 117.51 119.87 1lwx h ILE 134 Ca 0.02 -0.09 0.39 0.00 1.00 0.00 0.00 64.86 66.19 1lwx h ILE 134 Cb 0.60 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 1lwx h ILE 134 CO 0.04 0.00 0.96 0.00 0.00 0.00 0.00 178.15 179.16 1lwx h ALA 135 N -1.80 3.27 -0.15 1.87 0.00 -1.53 0.35 119.26 121.27 1lwx h ALA 135 Ca -0.03 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1lwx h ALA 135 Cb 0.19 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1lwx h ALA 135 CO 0.04 -1.65 -0.69 1.25 0.00 0.00 0.00 179.25 178.20 1lwx h LEU 136 N 0.00 0.71 0.00 0.00 5.85 -1.29 -3.32 115.31 117.26 1lwx h LEU 136 Ca 0.64 -0.44 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1lwx h LEU 136 Cb 2.56 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 43.38 1lwx h LEU 136 CO -0.01 1.19 -1.60 0.79 -0.34 0.00 0.00 178.44 178.47 1lwx n TRP 137 N -3.91 0.00 -4.31 1.25 7.02 0.47 -4.96 117.44 112.99 1lwx n TRP 137 Ca -0.05 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.14 1lwx n TRP 137 Cb 0.69 -0.31 -0.17 0.00 -2.42 0.00 0.00 31.31 29.10 1lwx n TRP 137 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1lwx s PHE 138 N -3.23 2.06 0.52 -5.99 0.40 0.92 -5.09 117.98 107.58 1lwx s PHE 138 Ca -0.03 -1.04 -0.21 0.00 -0.60 0.00 0.00 56.93 55.06 1lwx s PHE 138 Cb 0.14 -1.50 -0.06 0.00 0.51 0.00 0.00 43.02 42.11 1lwx s PHE 138 CO 0.83 -0.55 1.15 0.15 0.70 0.00 0.00 175.22 177.50 1lwx s LYS 139 N 1.16 3.48 0.45 0.44 1.02 -1.26 -4.48 119.74 120.56 1lwx s LYS 139 Ca -0.03 1.68 0.21 0.00 0.02 0.00 0.00 55.97 57.86 1lwx s LYS 139 Cb -0.14 -2.14 1.20 0.00 -0.52 0.00 0.00 37.83 36.22 1lwx s LYS 139 CO -0.05 -0.76 1.87 -1.35 -0.92 0.00 0.00 175.35 174.14 1lwx h PRO 140 N 1.49 0.28 0.00 -1.68 0.11 -1.97 -2.72 132.00 127.50 1lwx h PRO 140 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1lwx h PRO 140 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1lwx h PRO 140 CO 0.58 0.18 0.00 1.49 -0.21 0.00 0.00 178.00 180.04 1lwx h GLU 141 N 0.28 0.00 0.00 1.05 4.57 -2.03 -3.14 114.58 115.32 1lwx h GLU 141 Ca 0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.63 1lwx h GLU 141 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1lwx h GLU 141 CO -0.13 0.00 0.00 0.39 -1.18 0.00 0.00 179.01 178.09 1lwx n GLU 142 N -2.98 0.72 -4.65 1.92 1.02 -1.03 -4.76 120.64 110.88 1lwx n GLU 142 Ca 0.02 0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 56.84 1lwx n GLU 142 Cb 0.39 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.19 1lwx n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1lwx s LEU 143 N -2.19 3.05 0.33 -4.62 1.43 -1.19 -4.49 118.68 111.00 1lwx s LEU 143 Ca 0.37 -0.11 -0.27 0.00 -1.03 0.00 0.00 54.13 53.08 1lwx s LEU 143 Cb 0.19 -1.67 -0.09 0.00 0.03 0.00 0.00 46.19 44.65 1lwx s LEU 143 CO 0.36 0.30 1.12 -0.76 0.23 0.00 0.00 176.35 177.60 1lwx s LEU 144 N -0.42 4.38 -0.15 1.79 2.01 0.10 -4.98 118.68 121.42 1lwx s LEU 144 Ca 0.06 2.28 -0.22 0.00 0.01 0.00 0.00 54.13 56.25 1lwx s LEU 144 Cb -0.12 -3.82 -0.19 0.00 0.01 0.00 0.00 46.19 42.06 1lwx s LEU 144 CO 0.02 -0.36 0.49 0.71 1.01 0.00 0.00 176.35 178.22 1lwx h THR 145 N 2.74 1.25 -1.76 5.49 1.35 -1.95 -3.48 112.91 116.55 1lwx h THR 145 Ca -0.48 -2.04 0.02 0.00 -0.55 0.00 0.00 66.41 63.37 1lwx h THR 145 Cb 1.22 2.46 -0.23 0.00 -1.73 0.00 0.00 68.15 69.86 1lwx h THR 145 CO 0.65 0.42 0.35 -0.70 -0.25 0.00 0.00 175.52 175.99 1lwx s GLU 146 N -2.15 0.70 0.21 4.72 2.12 -1.26 -5.17 118.70 117.88 1lwx s GLU 146 Ca -0.18 0.54 -0.16 0.00 0.36 0.00 0.00 54.97 55.53 1lwx s GLU 146 Cb -0.00 0.34 0.06 0.00 0.26 0.00 0.00 34.13 34.78 1lwx s GLU 146 CO 0.54 -0.14 0.79 1.55 -0.54 0.00 0.00 175.26 177.46 1lwx n VAL 147 N 1.79 0.00 -3.62 3.70 3.14 -1.26 -5.17 118.33 116.92 1lwx n VAL 147 Ca -0.13 -0.59 -0.37 0.00 -2.96 0.00 0.00 64.34 60.29 1lwx n VAL 147 Cb 0.56 0.70 -0.10 0.00 -1.06 0.00 0.00 33.84 33.95 1lwx n VAL 147 CO 0.00 0.00 0.00 -1.59 -6.46 0.00 0.00 176.83 168.78 1lwx s LYS 148 N -2.05 4.05 0.79 1.45 -2.85 -1.26 -5.10 119.74 114.77 1lwx s LYS 148 Ca 0.17 -0.23 -0.09 0.00 -1.00 0.00 0.00 55.97 54.82 1lwx s LYS 148 Cb -0.03 -3.57 0.11 0.00 -2.06 0.00 0.00 37.83 32.29 1lwx s LYS 148 CO 0.06 -0.00 1.12 -1.25 0.10 0.00 0.00 175.35 175.38 1lwx s PRO 149 N 1.24 1.65 0.05 1.78 0.04 -1.26 -4.94 135.00 133.56 1lwx s PRO 149 Ca 0.09 -0.38 -0.33 0.00 0.04 0.00 0.00 61.00 60.42 1lwx s PRO 149 Cb -0.14 -2.07 -0.12 0.00 0.04 0.00 0.00 34.50 32.21 1lwx s PRO 149 CO 0.06 -1.65 1.81 -1.71 0.04 0.00 0.00 177.00 175.55 1lwx n ASN 150 N -3.20 3.63 0.00 6.66 2.85 -1.26 -4.82 115.26 119.12 1lwx n ASN 150 Ca 0.11 1.00 0.05 0.00 -0.11 0.00 0.00 54.58 55.63 1lwx n ASN 150 Cb 0.60 -1.45 0.28 0.00 1.24 0.00 0.00 39.78 40.45 1lwx n ASN 150 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1lwx n PRO 151 N 5.68 0.22 0.00 1.20 -0.04 -1.26 -2.07 135.00 138.73 1lwx n PRO 151 Ca 0.20 0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 1lwx n PRO 151 Cb 0.33 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.44 1lwx n PRO 151 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lwx n ASN 152 N -1.17 0.81 0.09 3.54 3.02 -1.26 -4.16 115.26 116.12 1lwx n ASN 152 Ca 0.06 -0.63 -0.22 0.00 -0.03 0.00 0.00 54.58 53.77 1lwx n ASN 152 Cb 0.06 0.46 -0.13 0.00 -0.61 0.00 0.00 39.78 39.55 1lwx n ASN 152 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1lwx h LEU 153 N 0.32 0.80 -9.89 3.41 3.38 -1.79 -3.48 115.31 108.07 1lwx h LEU 153 Ca 0.00 -0.85 -0.55 0.00 0.09 0.00 0.00 57.88 56.58 1lwx h LEU 153 Cb 0.52 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1lwx h LEU 153 CO 0.00 1.57 -0.50 -0.31 0.09 0.00 0.00 178.44 179.29 1lwx s TYR 154 N -2.89 2.66 -2.62 1.13 2.02 -1.26 -5.17 117.35 111.23 1lwx s TYR 154 Ca -0.10 -0.48 0.27 0.00 -0.37 0.00 0.00 57.07 56.39 1lwx s TYR 154 Cb 0.05 -1.84 0.84 0.00 -0.40 0.00 0.00 41.96 40.61 1lwx s TYR 154 CO 0.91 0.22 1.63 0.39 -1.57 0.00 0.00 175.55 177.13