#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lx6 n PHE 3 N 0.00 0.00 -0.04 1.61 1.16 -0.93 -2.36 117.46 116.90 1lx6 n PHE 3 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1lx6 n PHE 3 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1lx6 n PHE 3 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1lx6 n LEU 4 N -0.94 1.13 -4.68 5.98 4.77 0.48 -4.56 117.00 119.16 1lx6 n LEU 4 Ca 0.12 -1.13 -0.45 0.00 -0.03 0.00 0.00 56.01 54.53 1lx6 n LEU 4 Cb 0.06 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.11 1lx6 n LEU 4 CO 0.09 0.28 1.21 -1.20 -1.33 0.00 0.00 177.39 176.44 1lx6 n SER 5 N -0.08 3.27 0.00 -1.43 7.64 -0.92 -0.96 113.62 121.14 1lx6 n SER 5 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1lx6 n SER 5 Cb 0.05 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.79 1lx6 n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1lx6 n GLY 6 N 3.28 0.21 3.73 0.23 0.00 -1.25 -4.96 105.19 106.43 1lx6 n GLY 6 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 1lx6 n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lx6 s LYS 7 N -0.87 4.24 -0.39 1.61 -0.14 -0.13 -5.00 119.74 119.05 1lx6 s LYS 7 Ca 0.00 0.06 -0.08 0.00 -1.36 0.00 0.00 55.97 54.60 1lx6 s LYS 7 Cb 0.00 -3.42 0.07 0.00 -1.68 0.00 0.00 37.83 32.80 1lx6 s LYS 7 CO 0.00 0.25 0.21 1.03 -0.76 0.00 0.00 175.35 176.08 1lx6 s ARG 8 N 0.44 2.54 -0.04 1.68 0.52 -1.26 -0.27 118.95 122.57 1lx6 s ARG 8 Ca 0.16 -1.42 0.07 0.00 -0.52 0.00 0.00 55.73 54.02 1lx6 s ARG 8 Cb -0.13 -3.67 -0.02 0.00 0.52 0.00 0.00 34.95 31.66 1lx6 s ARG 8 CO 0.03 -0.89 -0.25 0.42 0.02 0.00 0.00 175.30 174.64 1lx6 s ILE 9 N 1.39 2.03 -0.17 1.52 -1.09 0.42 -0.06 121.20 125.24 1lx6 s ILE 9 Ca 0.02 -1.08 -0.18 0.00 -2.23 0.00 0.00 60.65 57.18 1lx6 s ILE 9 Cb -0.22 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 1lx6 s ILE 9 CO 0.02 0.57 0.50 -0.22 -1.23 0.00 0.00 174.94 174.57 1lx6 s LEU 10 N -0.38 4.20 -0.21 2.97 2.96 -0.83 -1.79 118.68 125.59 1lx6 s LEU 10 Ca 0.03 0.72 -0.03 0.00 -0.22 0.00 0.00 54.13 54.64 1lx6 s LEU 10 Cb -0.12 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 1lx6 s LEU 10 CO 0.01 -0.11 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.18 1lx6 s VAL 11 N 1.24 3.25 0.45 1.68 1.01 0.70 -0.08 120.40 128.65 1lx6 s VAL 11 Ca 0.25 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1lx6 s VAL 11 Cb -0.15 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.77 1lx6 s VAL 11 CO 0.10 0.44 0.48 0.42 0.00 0.00 0.00 175.10 176.54 1lx6 s THR 12 N 1.34 2.54 -0.23 3.92 -4.23 -0.94 -2.65 115.64 115.39 1lx6 s THR 12 Ca 0.04 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1lx6 s THR 12 Cb -0.14 -2.78 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1lx6 s THR 12 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 1lx6 n GLY 13 N -1.74 0.52 3.68 3.99 0.00 -1.26 -4.21 105.19 106.17 1lx6 n GLY 13 Ca 0.05 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1lx6 n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lx6 s VAL 14 N -1.88 4.77 0.00 1.61 1.01 -1.26 -4.53 120.40 120.12 1lx6 s VAL 14 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.95 1lx6 s VAL 14 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1lx6 s VAL 14 CO 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.06 1lx6 n ALA 15 N 5.39 0.86 -3.70 5.51 0.00 -1.26 -4.81 120.51 122.50 1lx6 n ALA 15 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1lx6 n ALA 15 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 1lx6 n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1lx6 s SER 16 N -0.62 -0.07 0.00 0.00 1.04 -1.26 -4.97 113.70 107.81 1lx6 s SER 16 Ca 0.00 -0.23 0.14 0.00 0.48 0.00 0.00 55.95 56.34 1lx6 s SER 16 Cb 0.00 0.25 0.67 0.00 0.10 0.00 0.00 66.02 67.05 1lx6 s SER 16 CO 0.00 -0.47 1.38 1.17 0.98 0.00 0.00 173.24 176.30 1lx6 n LYS 17 N -0.53 0.15 -0.00 4.02 4.81 -1.26 -1.38 118.16 123.97 1lx6 n LYS 17 Ca -0.07 0.18 0.11 0.00 -0.87 0.00 0.00 58.31 57.66 1lx6 n LYS 17 Cb 0.62 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 34.01 1lx6 n LYS 17 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1lx6 n LEU 18 N -1.33 0.09 -4.50 3.14 4.77 -1.26 -4.87 117.00 113.03 1lx6 n LEU 18 Ca 0.06 -0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.66 1lx6 n LEU 18 Cb 0.12 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1lx6 n LEU 18 CO 0.11 -0.00 0.17 -1.20 -1.33 0.00 0.00 177.39 175.14 1lx6 n SER 19 N -2.25 -0.68 -0.03 -1.43 7.64 -0.48 -4.93 113.62 111.46 1lx6 n SER 19 Ca -0.03 0.73 -0.14 0.00 1.01 0.00 0.00 58.87 60.43 1lx6 n SER 19 Cb 0.56 -1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 62.51 1lx6 n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1lx6 h ILE 20 N 0.19 1.29 0.00 0.44 2.04 -1.87 -2.88 117.51 116.72 1lx6 h ILE 20 Ca -0.46 -1.86 0.00 0.00 1.00 0.00 0.00 64.86 63.54 1lx6 h ILE 20 Cb 1.39 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.27 1lx6 h ILE 20 CO 0.47 0.59 0.00 0.00 0.00 0.00 0.00 178.15 179.21 1lx6 h ALA 21 N 0.72 1.00 -0.06 1.87 0.00 -1.85 -0.71 119.26 120.23 1lx6 h ALA 21 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1lx6 h ALA 21 Cb 1.24 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1lx6 h ALA 21 CO 0.13 0.00 -0.92 -0.92 0.00 0.00 0.00 179.25 177.54 1lx6 h TYR 22 N 0.00 0.97 -0.11 0.00 3.20 -1.78 0.31 116.97 119.57 1lx6 h TYR 22 Ca 0.00 -0.49 -0.16 0.00 3.14 0.00 0.00 58.73 61.22 1lx6 h TYR 22 Cb 0.35 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 1lx6 h TYR 22 CO 0.00 1.32 -0.62 0.78 -1.64 0.00 0.00 178.16 178.00 1lx6 h GLY 23 N 0.62 0.43 0.69 1.82 0.00 -1.21 -1.98 103.07 103.44 1lx6 h GLY 23 Ca -0.09 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 1lx6 h GLY 23 CO 0.18 0.48 -0.10 -2.22 0.00 0.00 0.00 176.54 174.88 1lx6 h ILE 24 N 0.29 1.35 -0.04 2.60 2.04 -1.13 -2.69 117.51 119.93 1lx6 h ILE 24 Ca -0.01 -1.24 0.03 0.00 1.00 0.00 0.00 64.86 64.64 1lx6 h ILE 24 Cb 1.16 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 39.13 1lx6 h ILE 24 CO 0.11 0.35 -0.19 0.00 0.00 0.00 0.00 178.15 178.42 1lx6 h ALA 25 N 0.59 -0.20 -0.14 1.87 0.00 -0.32 0.16 119.26 121.22 1lx6 h ALA 25 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1lx6 h ALA 25 Cb 0.61 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1lx6 h ALA 25 CO 0.03 -0.67 -0.32 1.96 0.00 0.00 0.00 179.25 180.25 1lx6 h GLN 26 N -0.28 -0.37 -0.84 0.00 4.20 -1.39 0.10 115.11 116.53 1lx6 h GLN 26 Ca 0.07 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 1lx6 h GLN 26 Cb 0.38 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.20 1lx6 h GLN 26 CO -0.20 -0.25 0.49 0.00 -0.67 0.00 0.00 178.83 178.20 1lx6 h ALA 27 N 0.45 1.07 -0.03 3.87 0.00 -1.09 0.29 119.26 123.82 1lx6 h ALA 27 Ca 0.10 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1lx6 h ALA 27 Cb 0.54 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1lx6 h ALA 27 CO -0.36 0.55 -0.36 0.52 0.00 0.00 0.00 179.25 179.60 1lx6 h MET 28 N 1.16 0.06 -0.05 0.00 2.86 -0.16 -2.29 114.93 116.51 1lx6 h MET 28 Ca 0.30 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1lx6 h MET 28 Cb -0.02 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1lx6 h MET 28 CO -0.05 0.42 -0.24 1.25 1.06 0.00 0.00 176.91 179.34 1lx6 h HIS 29 N 0.05 0.34 -0.64 -0.22 6.17 0.14 -0.29 115.15 120.71 1lx6 h HIS 29 Ca 0.00 -0.15 0.13 0.00 0.71 0.00 0.00 60.37 61.07 1lx6 h HIS 29 Cb 0.67 -0.05 -0.04 0.00 2.52 0.00 0.00 27.41 30.51 1lx6 h HIS 29 CO 0.00 0.87 0.43 -0.09 0.71 0.00 0.00 177.93 179.86 1lx6 h ARG 30 N -0.28 0.28 -0.20 5.26 2.43 -0.28 -2.32 114.38 119.27 1lx6 h ARG 30 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1lx6 h ARG 30 Cb 0.90 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1lx6 h ARG 30 CO 0.05 0.18 0.00 0.39 -1.51 0.00 0.00 179.97 179.09 1lx6 n GLU 31 N -4.45 1.70 0.00 0.20 -0.58 -0.88 -4.76 120.64 111.88 1lx6 n GLU 31 Ca 0.12 -1.07 0.00 0.00 -0.42 0.00 0.00 57.16 55.79 1lx6 n GLU 31 Cb 0.50 -1.36 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 1lx6 n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1lx6 n GLY 32 N 1.09 0.66 3.77 0.62 0.00 -0.87 -0.39 105.19 110.07 1lx6 n GLY 32 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1lx6 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lx6 s ALA 33 N -2.00 2.47 -0.17 4.61 0.00 -0.13 -3.72 121.76 122.82 1lx6 s ALA 33 Ca 0.00 0.56 -0.03 0.00 0.00 0.00 0.00 51.96 52.49 1lx6 s ALA 33 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 1lx6 s ALA 33 CO 0.00 -1.28 -0.05 -1.21 0.00 0.00 0.00 175.76 173.22 1lx6 s GLU 34 N -4.07 3.52 0.16 0.00 2.02 0.63 -4.61 118.70 116.35 1lx6 s GLU 34 Ca 0.67 -0.58 0.10 0.00 0.02 0.00 0.00 54.97 55.18 1lx6 s GLU 34 Cb -0.21 -2.90 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 1lx6 s GLU 34 CO 0.41 0.08 -0.19 -0.51 0.02 0.00 0.00 175.26 175.08 1lx6 s LEU 35 N 0.75 2.63 0.06 1.80 1.43 -1.26 -0.43 118.68 123.67 1lx6 s LEU 35 Ca -0.02 -0.70 0.09 0.00 -1.03 0.00 0.00 54.13 52.47 1lx6 s LEU 35 Cb -0.15 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 1lx6 s LEU 35 CO 0.02 0.14 -0.26 0.00 0.23 0.00 0.00 176.35 176.47 1lx6 s ALA 36 N -1.48 2.24 0.27 4.21 0.00 -0.74 -4.66 121.76 121.60 1lx6 s ALA 36 Ca 0.20 -1.30 0.08 0.00 0.00 0.00 0.00 51.96 50.95 1lx6 s ALA 36 Cb -0.09 -0.45 -0.05 0.00 0.00 0.00 0.00 23.12 22.53 1lx6 s ALA 36 CO 0.11 0.52 -0.11 -0.06 0.00 0.00 0.00 175.76 176.22 1lx6 s PHE 37 N -0.86 2.00 0.03 0.00 0.08 0.57 -0.21 117.98 119.60 1lx6 s PHE 37 Ca 0.12 -0.58 0.02 0.00 0.12 0.00 0.00 56.93 56.60 1lx6 s PHE 37 Cb -0.10 -1.05 -0.02 0.00 -0.57 0.00 0.00 43.02 41.28 1lx6 s PHE 37 CO 0.03 0.41 -0.06 0.95 -0.10 0.00 0.00 175.22 176.45 1lx6 s THR 38 N -2.87 0.42 0.06 0.64 -4.23 -1.08 -0.80 115.64 107.78 1lx6 s THR 38 Ca 0.28 -0.99 0.06 0.00 -1.18 0.00 0.00 61.69 59.87 1lx6 s THR 38 Cb 0.01 -0.50 -0.03 0.00 1.34 0.00 0.00 72.50 73.32 1lx6 s THR 38 CO 0.12 -0.38 -0.17 -0.72 -0.54 0.00 0.00 174.62 172.92 1lx6 s TYR 39 N -1.33 1.46 0.08 3.99 1.13 -0.75 -4.39 117.35 117.56 1lx6 s TYR 39 Ca -0.11 -0.39 -0.12 0.00 -1.41 0.00 0.00 57.07 55.04 1lx6 s TYR 39 Cb -0.10 -0.84 -0.21 0.00 -1.10 0.00 0.00 41.96 39.71 1lx6 s TYR 39 CO 0.00 0.09 1.21 0.37 -2.51 0.00 0.00 175.55 174.70 1lx6 h GLN 40 N 4.62 0.65 0.00 -3.49 4.15 -1.90 -0.54 115.11 118.60 1lx6 h GLN 40 Ca -0.41 -0.71 -0.11 0.00 0.77 0.00 0.00 58.65 58.19 1lx6 h GLN 40 Cb 1.18 0.20 -0.02 0.00 0.21 0.00 0.00 27.48 29.05 1lx6 h GLN 40 CO 0.42 1.29 0.03 0.27 -1.93 0.00 0.00 178.83 178.91 1lx6 n ASN 41 N -3.83 -1.18 -0.36 -0.69 0.23 -1.26 -4.47 115.26 103.70 1lx6 n ASN 41 Ca -0.10 -2.16 0.05 0.00 -0.53 0.00 0.00 54.58 51.83 1lx6 n ASN 41 Cb 0.88 2.06 0.20 0.00 -2.08 0.00 0.00 39.78 40.85 1lx6 n ASN 41 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1lx6 h ASP 42 N 1.30 0.94 -0.91 0.53 3.32 -2.01 -1.69 116.42 117.91 1lx6 h ASP 42 Ca -0.20 0.03 0.07 0.00 0.02 0.00 0.00 57.03 56.95 1lx6 h ASP 42 Cb 0.80 -0.16 -0.07 0.00 0.22 0.00 0.00 39.33 40.12 1lx6 h ASP 42 CO 0.26 0.55 0.57 0.50 -1.72 0.00 0.00 179.24 179.40 1lx6 h LYS 43 N 1.04 0.98 0.00 3.56 1.63 -2.02 -3.11 116.57 118.66 1lx6 h LYS 43 Ca 0.46 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.20 1lx6 h LYS 43 Cb 0.33 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1lx6 h LYS 43 CO -0.22 0.65 -1.20 1.28 -3.45 0.00 0.00 179.45 176.50 1lx6 n LEU 44 N -4.60 0.59 -0.26 5.20 4.32 -0.81 -4.58 117.00 116.88 1lx6 n LEU 44 Ca 0.14 0.15 -0.09 0.00 -0.02 0.00 0.00 56.01 56.18 1lx6 n LEU 44 Cb 0.20 -0.06 -0.05 0.00 -1.62 0.00 0.00 43.42 41.88 1lx6 n LEU 44 CO 0.31 -0.07 0.54 0.50 -1.22 0.00 0.00 177.39 177.44 1lx6 h LYS 45 N 0.00 -0.19 -0.37 3.23 3.64 -1.26 -1.00 116.57 120.62 1lx6 h LYS 45 Ca 0.00 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1lx6 h LYS 45 Cb 0.91 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1lx6 h LYS 45 CO 0.00 -0.12 0.24 0.78 -2.27 0.00 0.00 179.45 178.08 1lx6 h GLY 46 N -0.19 0.45 0.74 5.01 0.00 -1.81 -0.93 103.07 106.34 1lx6 h GLY 46 Ca 0.17 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.22 1lx6 h GLY 46 CO -0.75 0.14 -0.42 -0.09 0.00 0.00 0.00 176.54 175.42 1lx6 h ARG 47 N 0.40 0.39 -0.68 4.80 9.65 -1.54 -3.01 114.38 124.39 1lx6 h ARG 47 Ca 0.15 -0.34 -0.08 0.00 -1.10 0.00 0.00 59.98 58.61 1lx6 h ARG 47 Cb 0.09 0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.72 1lx6 h ARG 47 CO -0.03 0.99 0.13 0.28 2.80 0.00 0.00 179.97 184.14 1lx6 h VAL 48 N -0.09 1.26 -0.38 0.20 2.07 -0.86 -2.77 116.25 115.67 1lx6 h VAL 48 Ca -0.04 -1.02 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 1lx6 h VAL 48 Cb 1.09 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1lx6 h VAL 48 CO 0.09 0.39 0.13 -0.33 0.02 0.00 0.00 177.57 177.86 1lx6 h GLU 49 N 1.05 0.55 -0.15 1.57 5.08 -1.25 -0.98 114.58 120.45 1lx6 h GLU 49 Ca 0.21 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1lx6 h GLU 49 Cb 0.42 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1lx6 h GLU 49 CO 0.01 0.48 -0.04 1.49 -1.00 0.00 0.00 179.01 179.95 1lx6 h GLU 50 N 0.55 0.30 -0.46 2.33 4.81 -1.37 -2.28 114.58 118.46 1lx6 h GLU 50 Ca 0.13 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.14 1lx6 h GLU 50 Cb 0.16 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 1lx6 h GLU 50 CO -0.01 0.59 -0.13 0.74 -0.73 0.00 0.00 179.01 179.47 1lx6 h PHE 51 N -0.01 0.95 -0.64 0.92 0.04 -1.21 -2.23 116.94 114.76 1lx6 h PHE 51 Ca 0.04 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 1lx6 h PHE 51 Cb 0.48 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 1lx6 h PHE 51 CO 0.06 0.93 0.37 0.00 -0.60 0.00 0.00 178.31 179.07 1lx6 h ALA 52 N 1.09 1.46 -0.44 2.45 0.00 -1.16 0.10 119.26 122.75 1lx6 h ALA 52 Ca 0.12 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1lx6 h ALA 52 Cb 0.64 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1lx6 h ALA 52 CO 0.04 0.46 0.03 0.00 0.00 0.00 0.00 179.25 179.79 1lx6 h ALA 53 N 1.53 0.59 0.00 0.00 0.00 -1.00 0.98 119.26 121.36 1lx6 h ALA 53 Ca 0.23 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1lx6 h ALA 53 Cb -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1lx6 h ALA 53 CO -0.04 0.36 -0.27 1.96 0.00 0.00 0.00 179.25 181.26 1lx6 h GLN 54 N 0.61 0.00 -0.41 0.00 4.20 -0.78 -2.02 115.11 116.71 1lx6 h GLN 54 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1lx6 h GLN 54 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1lx6 h GLN 54 CO 0.02 0.27 0.00 1.28 -0.67 0.00 0.00 178.83 179.73 1lx6 n LEU 55 N -3.84 2.50 0.00 1.46 4.77 -0.05 -4.92 117.00 116.93 1lx6 n LEU 55 Ca -0.02 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1lx6 n LEU 55 Cb 0.36 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1lx6 n LEU 55 CO 0.35 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1lx6 n GLY 56 N 1.27 0.82 3.92 -0.72 0.00 -0.56 -4.91 105.19 105.00 1lx6 n GLY 56 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.93 1lx6 n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1lx6 s SER 57 N -2.65 6.16 0.00 1.61 0.15 0.33 -4.95 113.70 114.35 1lx6 s SER 57 Ca 0.00 0.09 0.18 0.00 0.70 0.00 0.00 55.95 56.93 1lx6 s SER 57 Cb 0.00 -1.80 0.30 0.00 -1.71 0.00 0.00 66.02 62.81 1lx6 s SER 57 CO 0.00 0.04 1.11 -0.90 1.20 0.00 0.00 173.24 174.69 1lx6 n ASP 58 N -0.62 0.67 -4.15 5.45 5.75 -1.26 -2.76 116.55 119.62 1lx6 n ASP 58 Ca -0.07 -1.99 -0.39 0.00 -0.01 0.00 0.00 54.79 52.33 1lx6 n ASP 58 Cb 0.55 -0.25 -0.08 0.00 -1.03 0.00 0.00 41.12 40.30 1lx6 n ASP 58 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1lx6 s ILE 59 N 0.00 4.18 -0.29 2.12 1.01 -1.26 -5.02 121.20 121.94 1lx6 s ILE 59 Ca 0.24 -2.80 0.02 0.00 0.00 0.00 0.00 60.65 58.11 1lx6 s ILE 59 Cb 0.27 -3.68 0.08 0.00 0.01 0.00 0.00 42.46 39.14 1lx6 s ILE 59 CO -0.12 -0.91 0.00 -0.69 0.00 0.00 0.00 174.94 173.22 1lx6 s VAL 60 N 0.04 1.88 0.10 2.92 1.01 -1.26 -0.31 120.40 124.77 1lx6 s VAL 60 Ca 0.17 -1.80 0.09 0.00 0.00 0.00 0.00 61.98 60.44 1lx6 s VAL 60 Cb -0.18 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1lx6 s VAL 60 CO -0.05 -0.38 -0.22 -0.76 0.00 0.00 0.00 175.10 173.70 1lx6 s LEU 61 N 1.16 2.51 0.44 3.92 1.43 0.02 -4.97 118.68 123.19 1lx6 s LEU 61 Ca 0.03 -0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 52.32 1lx6 s LEU 61 Cb -0.19 -1.41 -0.11 0.00 0.03 0.00 0.00 46.19 44.51 1lx6 s LEU 61 CO -0.09 0.20 0.97 -1.58 0.23 0.00 0.00 176.35 176.07 1lx6 s GLN 62 N -1.89 4.16 -0.30 1.70 2.00 -1.26 -1.80 119.66 122.27 1lx6 s GLN 62 Ca 0.15 1.17 -0.08 0.00 -2.00 0.00 0.00 55.36 54.61 1lx6 s GLN 62 Cb -0.10 -2.18 0.16 0.00 0.80 0.00 0.00 33.01 31.69 1lx6 s GLN 62 CO 0.07 -0.09 0.73 0.00 -0.50 0.00 0.00 175.29 175.50 1lx6 s ASP 64 N 2.82 5.82 0.00 0.00 2.15 -1.26 -4.27 116.67 121.94 1lx6 s ASP 64 Ca 0.06 -1.68 0.01 0.00 0.43 0.00 0.00 52.55 51.37 1lx6 s ASP 64 Cb -0.12 -2.06 0.07 0.00 -0.30 0.00 0.00 42.92 40.51 1lx6 s ASP 64 CO -0.19 -0.66 0.86 1.33 -0.17 0.00 0.00 175.17 176.34 1lx6 n VAL 65 N 5.01 1.16 0.69 1.11 0.24 -1.26 -0.52 118.33 124.75 1lx6 n VAL 65 Ca -0.10 0.29 0.13 0.00 -2.04 0.00 0.00 64.34 62.62 1lx6 n VAL 65 Cb 0.42 -1.27 0.42 0.00 -1.47 0.00 0.00 33.84 31.94 1lx6 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lx6 n ALA 66 N -1.30 2.35 -3.84 2.33 0.00 -1.26 -4.69 120.51 114.09 1lx6 n ALA 66 Ca 0.01 -0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 1lx6 n ALA 66 Cb 0.01 -1.45 -0.16 0.00 0.00 0.00 0.00 19.45 17.86 1lx6 n ALA 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1lx6 s GLU 67 N -3.09 3.10 0.47 0.00 0.41 0.32 -4.98 118.70 114.93 1lx6 s GLU 67 Ca 0.11 -0.79 0.12 0.00 -0.41 0.00 0.00 54.97 54.01 1lx6 s GLU 67 Cb 0.13 -2.63 1.10 0.00 -1.78 0.00 0.00 34.13 30.95 1lx6 s GLU 67 CO 0.60 -0.14 2.11 -0.44 -0.49 0.00 0.00 175.26 176.89 1lx6 h ASP 68 N 7.78 0.19 -0.03 -0.19 3.32 -1.83 -1.59 116.42 124.07 1lx6 h ASP 68 Ca -0.41 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.49 1lx6 h ASP 68 Cb 1.16 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 1lx6 h ASP 68 CO 0.61 0.14 -0.47 0.00 -1.72 0.00 0.00 179.24 177.80 1lx6 h ALA 69 N 1.89 0.76 -0.41 3.45 0.00 -1.94 -1.92 119.26 121.09 1lx6 h ALA 69 Ca 0.06 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1lx6 h ALA 69 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1lx6 h ALA 69 CO -0.01 0.67 -0.03 1.03 0.00 0.00 0.00 179.25 180.90 1lx6 h SER 70 N 0.46 0.66 0.26 0.00 0.87 -1.55 -1.95 113.55 112.30 1lx6 h SER 70 Ca 0.03 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 1lx6 h SER 70 Cb 1.00 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.79 1lx6 h SER 70 CO 0.09 0.75 -0.13 0.40 -0.53 0.00 0.00 176.83 177.41 1lx6 h ILE 71 N 0.64 0.76 -0.56 2.23 2.04 -1.28 -1.81 117.51 119.53 1lx6 h ILE 71 Ca 0.12 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.39 1lx6 h ILE 71 Cb 0.45 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 1lx6 h ILE 71 CO 0.02 0.13 0.25 0.44 0.00 0.00 0.00 178.15 178.99 1lx6 h ASP 72 N -0.72 0.31 -0.53 1.72 3.45 -1.31 -1.30 116.42 118.03 1lx6 h ASP 72 Ca -0.04 0.05 -0.06 0.00 0.43 0.00 0.00 57.03 57.41 1lx6 h ASP 72 Cb 0.49 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.24 1lx6 h ASP 72 CO 0.06 0.20 0.12 0.74 -1.57 0.00 0.00 179.24 178.79 1lx6 h THR 73 N 0.46 1.24 -0.25 0.35 2.02 -1.35 0.15 112.91 115.55 1lx6 h THR 73 Ca 0.26 -0.90 -0.08 0.00 0.77 0.00 0.00 66.41 66.46 1lx6 h THR 73 Cb 0.25 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1lx6 h THR 73 CO -0.23 0.34 -0.17 -0.03 0.37 0.00 0.00 175.52 175.80 1lx6 h MET 74 N 0.87 0.55 0.00 6.66 1.85 -0.67 -1.37 114.93 122.82 1lx6 h MET 74 Ca 0.18 -0.26 -0.03 0.00 -0.61 0.00 0.00 59.70 58.98 1lx6 h MET 74 Cb 0.35 -0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.37 1lx6 h MET 74 CO 0.00 0.83 -0.17 0.74 -0.40 0.00 0.00 176.91 177.92 1lx6 h PHE 75 N 0.26 0.00 -0.21 1.39 0.04 -1.05 -0.17 116.94 117.21 1lx6 h PHE 75 Ca 0.05 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.64 1lx6 h PHE 75 Cb 0.69 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 1lx6 h PHE 75 CO 0.07 0.17 -0.59 0.00 -0.60 0.00 0.00 178.31 177.36 1lx6 h ALA 76 N 1.83 0.58 -0.00 2.45 0.00 -0.52 -0.07 119.26 123.52 1lx6 h ALA 76 Ca -0.00 -0.53 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 1lx6 h ALA 76 Cb 0.47 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1lx6 h ALA 76 CO 0.02 0.69 -0.61 0.93 0.00 0.00 0.00 179.25 180.29 1lx6 h GLU 77 N 0.51 0.01 -0.26 0.00 4.39 -0.24 -3.13 114.58 115.86 1lx6 h GLU 77 Ca 0.00 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 1lx6 h GLU 77 Cb 1.16 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1lx6 h GLU 77 CO 0.12 0.62 -0.17 1.25 -1.16 0.00 0.00 179.01 179.67 1lx6 h LEU 78 N 0.01 0.59 -2.01 1.33 5.85 -0.71 -2.87 115.31 117.50 1lx6 h LEU 78 Ca -0.01 -0.43 0.16 0.00 0.84 0.00 0.00 57.88 58.44 1lx6 h LEU 78 Cb 1.08 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1lx6 h LEU 78 CO 0.08 0.90 0.42 1.23 -0.34 0.00 0.00 178.44 180.73 1lx6 h GLY 79 N 0.29 0.00 2.00 3.75 0.00 -0.97 0.35 103.07 108.50 1lx6 h GLY 79 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1lx6 h GLY 79 CO 0.05 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.09 1lx6 h LYS 80 N 0.00 0.00 0.00 4.80 1.57 -1.49 -3.00 116.57 118.45 1lx6 h LYS 80 Ca 0.26 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 1lx6 h LYS 80 Cb 1.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1lx6 h LYS 80 CO -0.00 0.00 -1.03 1.55 -0.57 0.00 0.00 179.45 179.40 1lx6 n VAL 81 N -2.99 0.03 -3.60 0.50 3.14 0.44 -4.88 118.33 110.96 1lx6 n VAL 81 Ca -0.00 -0.02 -0.27 0.00 -2.96 0.00 0.00 64.34 61.09 1lx6 n VAL 81 Cb 0.24 -0.94 -0.11 0.00 -1.06 0.00 0.00 33.84 31.98 1lx6 n VAL 81 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 1lx6 s TRP 82 N -2.01 2.09 0.55 1.45 0.52 0.96 -4.97 118.94 117.53 1lx6 s TRP 82 Ca -0.00 -2.73 0.35 0.00 0.02 0.00 0.00 56.10 53.74 1lx6 s TRP 82 Cb 0.00 -1.64 1.52 0.00 -1.15 0.00 0.00 33.47 32.19 1lx6 s TRP 82 CO 0.02 -0.71 1.80 -1.35 0.02 0.00 0.00 176.95 176.72 1lx6 h PRO 83 N 5.56 0.00 -3.13 4.98 0.11 -1.71 -3.36 132.00 134.45 1lx6 h PRO 83 Ca 0.21 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.20 1lx6 h PRO 83 Cb 0.85 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.76 1lx6 h PRO 83 CO 0.51 0.00 -0.32 0.15 -0.21 0.00 0.00 178.00 178.13 1lx6 s LYS 84 N -4.89 0.63 0.33 1.05 1.02 -1.26 -4.70 119.74 111.91 1lx6 s LYS 84 Ca -0.05 -0.23 -0.00 0.00 0.02 0.00 0.00 55.97 55.71 1lx6 s LYS 84 Cb 0.22 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.81 1lx6 s LYS 84 CO 0.76 -0.17 0.43 1.97 -0.92 0.00 0.00 175.35 177.42 1lx6 n PHE 85 N 1.31 -1.29 -0.99 3.18 -1.74 -0.50 -4.99 117.46 112.44 1lx6 n PHE 85 Ca -0.22 -2.26 0.02 0.00 -0.56 0.00 0.00 57.45 54.44 1lx6 n PHE 85 Cb 0.56 0.48 0.34 0.00 1.52 0.00 0.00 39.48 42.38 1lx6 n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1lx6 n ASP 86 N -1.68 5.01 0.00 5.98 8.00 0.91 -1.82 116.55 132.95 1lx6 n ASP 86 Ca 0.02 -3.08 0.00 0.00 0.71 0.00 0.00 54.79 52.43 1lx6 n ASP 86 Cb 0.55 -0.68 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 1lx6 n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lx6 n GLY 87 N 0.09 1.25 3.23 0.44 0.00 -1.26 -1.59 105.19 107.36 1lx6 n GLY 87 Ca 0.31 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 1lx6 n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1lx6 s PHE 88 N -1.20 -0.09 -0.24 1.61 -0.12 -1.21 -1.97 117.98 114.76 1lx6 s PHE 88 Ca 0.00 -0.03 -0.11 0.00 -0.05 0.00 0.00 56.93 56.75 1lx6 s PHE 88 Cb 0.00 0.07 -0.05 0.00 -0.63 0.00 0.00 43.02 42.41 1lx6 s PHE 88 CO 0.00 -0.47 0.17 0.08 -0.05 0.00 0.00 175.22 174.95 1lx6 s VAL 89 N -2.34 5.35 -0.53 -2.49 1.01 0.88 -1.90 120.40 120.38 1lx6 s VAL 89 Ca -0.07 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.98 1lx6 s VAL 89 Cb -0.02 -3.51 0.13 0.00 0.00 0.00 0.00 36.38 32.99 1lx6 s VAL 89 CO -0.02 0.33 0.45 -2.28 0.00 0.00 0.00 175.10 173.58 1lx6 s HIS 90 N 1.13 3.37 -0.61 5.22 5.04 0.12 -2.22 115.29 127.34 1lx6 s HIS 90 Ca 0.08 -1.64 0.05 0.00 -1.54 0.00 0.00 55.06 52.00 1lx6 s HIS 90 Cb -0.14 -3.65 0.33 0.00 0.04 0.00 0.00 32.58 29.16 1lx6 s HIS 90 CO 0.05 -1.00 0.98 0.45 -2.34 0.00 0.00 174.74 172.88 1lx6 n SER 91 N 4.96 4.59 -4.28 9.88 2.88 -1.26 -3.45 113.62 126.96 1lx6 n SER 91 Ca -0.09 -3.67 -0.28 0.00 -1.33 0.00 0.00 58.87 53.50 1lx6 n SER 91 Cb 0.41 -0.60 -0.15 0.00 -0.75 0.00 0.00 64.21 63.12 1lx6 n SER 91 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1lx6 s ILE 92 N -4.34 1.84 -0.20 2.46 1.01 -1.26 -4.06 121.20 116.65 1lx6 s ILE 92 Ca 0.48 -1.13 -0.27 0.00 0.00 0.00 0.00 60.65 59.72 1lx6 s ILE 92 Cb 0.27 -1.56 0.10 0.00 0.01 0.00 0.00 42.46 41.27 1lx6 s ILE 92 CO -0.13 0.39 0.86 -0.83 0.00 0.00 0.00 174.94 175.23 1lx6 s GLY 93 N -0.88 -0.38 -0.26 6.18 0.00 -1.26 -4.65 107.32 106.07 1lx6 s GLY 93 Ca 0.09 2.07 -0.25 0.00 0.00 0.00 0.00 44.72 46.62 1lx6 s GLY 93 CO 0.01 1.46 0.73 -0.12 0.00 0.00 0.00 173.10 175.18 1lx6 s PHE 94 N -0.30 -0.77 -0.15 1.90 5.36 -1.26 -4.93 117.98 117.83 1lx6 s PHE 94 Ca -0.02 1.86 -0.08 0.00 -0.96 0.00 0.00 56.93 57.73 1lx6 s PHE 94 Cb -0.03 0.28 0.05 0.00 -0.34 0.00 0.00 43.02 42.98 1lx6 s PHE 94 CO 0.01 -0.39 0.35 0.00 -1.46 0.00 0.00 175.22 173.74 1lx6 s ALA 95 N 0.30 -0.87 0.30 11.12 0.00 -1.26 -3.78 121.76 127.56 1lx6 s ALA 95 Ca -0.00 1.34 -0.29 0.00 0.00 0.00 0.00 51.96 53.00 1lx6 s ALA 95 Cb -0.05 -0.82 -0.13 0.00 0.00 0.00 0.00 23.12 22.13 1lx6 s ALA 95 CO 0.01 -0.24 1.35 -2.30 0.00 0.00 0.00 175.76 174.58 1lx6 n PRO 96 N 4.23 2.14 -0.23 0.00 -0.02 -1.26 -4.89 135.00 134.97 1lx6 n PRO 96 Ca -0.24 0.76 -0.06 0.00 -2.02 0.00 0.00 63.50 61.94 1lx6 n PRO 96 Cb 0.54 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 1lx6 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lx6 n GLY 97 N 1.33 -1.64 0.44 -1.23 0.00 -1.26 -0.54 105.19 102.30 1lx6 n GLY 97 Ca 0.07 0.70 0.25 0.00 0.00 0.00 0.00 46.02 47.04 1lx6 n GLY 97 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1lx6 h ASP 98 N 0.00 0.00 -0.11 1.61 -0.00 -1.97 -3.05 116.42 112.90 1lx6 h ASP 98 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 57.10 1lx6 h ASP 98 Cb 0.23 0.00 -0.00 0.00 -0.00 0.00 0.00 39.33 39.55 1lx6 h ASP 98 CO -0.52 0.00 -0.00 1.56 -0.00 0.00 0.00 179.24 180.28 1lx6 h GLN 99 N 0.00 0.19 -1.78 4.15 1.08 -1.09 -3.29 115.11 114.38 1lx6 h GLN 99 Ca 0.32 -0.06 -0.27 0.00 -1.45 0.00 0.00 58.65 57.19 1lx6 h GLN 99 Cb 1.69 -0.02 -0.11 0.00 -0.05 0.00 0.00 27.48 28.99 1lx6 h GLN 99 CO -0.00 0.45 0.22 1.28 -0.95 0.00 0.00 178.83 179.83 1lx6 n LEU 100 N -4.80 6.08 -3.60 1.46 7.99 -1.15 -4.63 117.00 118.34 1lx6 n LEU 100 Ca -0.06 -3.24 -0.17 0.00 -0.01 0.00 0.00 56.01 52.53 1lx6 n LEU 100 Cb 0.20 -1.15 -0.14 0.00 -0.11 0.00 0.00 43.42 42.22 1lx6 n LEU 100 CO 0.35 1.34 -0.21 -0.62 -1.51 0.00 0.00 177.39 176.74 1lx6 s ASP 101 N 0.83 0.99 0.00 -1.43 2.15 -1.24 -4.74 116.67 113.23 1lx6 s ASP 101 Ca 0.34 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.45 1lx6 s ASP 101 Cb 0.23 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 43.21 1lx6 s ASP 101 CO -0.05 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 1lx6 n GLY 102 N 5.33 -1.68 3.59 2.66 0.00 -1.26 -4.72 105.19 109.10 1lx6 n GLY 102 Ca -0.05 -1.46 -0.55 0.00 0.00 0.00 0.00 46.02 43.96 1lx6 n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1lx6 n ASP 103 N 0.18 2.30 -0.22 1.61 -0.08 -1.26 -4.32 116.55 114.76 1lx6 n ASP 103 Ca 0.00 0.81 -0.06 0.00 -1.51 0.00 0.00 54.79 54.03 1lx6 n ASP 103 Cb 0.00 -1.19 -0.00 0.00 2.34 0.00 0.00 41.12 42.27 1lx6 n ASP 103 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1lx6 h TYR 104 N 9.32 -1.05 -0.81 -0.67 3.20 -1.93 0.63 116.97 125.67 1lx6 h TYR 104 Ca -0.37 0.08 0.02 0.00 3.14 0.00 0.00 58.73 61.59 1lx6 h TYR 104 Cb 1.32 0.55 -0.04 0.00 1.54 0.00 0.00 36.73 40.10 1lx6 h TYR 104 CO 0.86 -0.40 0.53 0.28 -1.64 0.00 0.00 178.16 177.80 1lx6 h VAL 105 N -0.16 1.18 0.00 1.81 2.07 -1.93 -0.17 116.25 119.04 1lx6 h VAL 105 Ca 0.23 -0.36 -0.17 0.00 0.82 0.00 0.00 66.70 67.21 1lx6 h VAL 105 Cb 0.56 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 1lx6 h VAL 105 CO -0.72 0.19 -0.83 0.78 0.02 0.00 0.00 177.57 177.02 1lx6 h ASN 106 N 1.05 0.00 0.05 0.57 2.35 -1.61 -3.35 115.58 114.64 1lx6 h ASN 106 Ca 0.31 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1lx6 h ASN 106 Cb -0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1lx6 h ASN 106 CO -0.08 0.83 -0.02 0.00 -1.65 0.00 0.00 177.43 176.51 1lx6 h ALA 107 N 1.17 -0.07 -2.16 -0.83 0.00 -0.36 -3.46 119.26 113.55 1lx6 h ALA 107 Ca -0.01 -0.32 -0.60 0.00 0.00 0.00 0.00 54.91 53.98 1lx6 h ALA 107 Cb 1.58 0.03 0.09 0.00 0.00 0.00 0.00 17.79 19.49 1lx6 h ALA 107 CO 0.11 -0.15 0.46 1.55 0.00 0.00 0.00 179.25 181.22 1lx6 n VAL 108 N -4.77 1.15 -4.13 0.00 3.14 -0.13 -4.69 118.33 108.90 1lx6 n VAL 108 Ca -0.08 -0.29 -0.14 0.00 -2.96 0.00 0.00 64.34 60.87 1lx6 n VAL 108 Cb 0.32 -1.27 -0.11 0.00 -1.06 0.00 0.00 33.84 31.72 1lx6 n VAL 108 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1lx6 s THR 109 N -0.30 0.80 0.32 1.55 -4.23 -1.26 -4.97 115.64 107.54 1lx6 s THR 109 Ca 0.67 -1.36 0.10 0.00 -1.18 0.00 0.00 61.69 59.92 1lx6 s THR 109 Cb -0.70 -1.01 0.31 0.00 1.34 0.00 0.00 72.50 72.44 1lx6 s THR 109 CO 0.53 -0.43 1.72 -0.09 -0.54 0.00 0.00 174.62 175.80 1lx6 h ARG 110 N 4.06 0.52 0.03 3.99 2.43 -1.99 0.35 114.38 123.77 1lx6 h ARG 110 Ca -0.37 -0.03 -0.26 0.00 -0.81 0.00 0.00 59.98 58.51 1lx6 h ARG 110 Cb 1.19 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1lx6 h ARG 110 CO 0.46 0.34 -1.32 0.93 -1.51 0.00 0.00 179.97 178.87 1lx6 h GLU 111 N 0.53 0.06 -0.32 0.20 4.39 -1.99 -2.12 114.58 115.34 1lx6 h GLU 111 Ca 0.65 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 60.18 1lx6 h GLU 111 Cb 1.26 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 1lx6 h GLU 111 CO -0.50 0.89 -0.06 0.78 -1.16 0.00 0.00 179.01 178.96 1lx6 h GLY 112 N 2.80 0.57 0.78 -3.84 0.00 -1.66 -0.89 103.07 100.83 1lx6 h GLY 112 Ca -0.14 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1lx6 h GLY 112 CO 0.13 0.34 -0.20 -2.75 0.00 0.00 0.00 176.54 174.05 1lx6 h PHE 113 N 0.50 -0.52 -0.30 5.60 3.04 -0.96 -1.47 116.94 122.82 1lx6 h PHE 113 Ca 0.10 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.10 1lx6 h PHE 113 Cb 0.42 0.17 -0.07 0.00 2.56 0.00 0.00 35.95 39.04 1lx6 h PHE 113 CO 0.01 -0.22 -0.13 -0.22 -2.02 0.00 0.00 178.31 175.74 1lx6 h LYS 114 N -0.79 -0.07 0.04 1.11 3.11 -1.03 -1.31 116.57 117.62 1lx6 h LYS 114 Ca -0.06 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.79 1lx6 h LYS 114 Cb 0.54 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 1lx6 h LYS 114 CO 0.09 -0.05 -0.02 0.82 -2.81 0.00 0.00 179.45 177.49 1lx6 h ILE 115 N -0.07 1.01 -0.95 2.00 2.04 -1.18 0.17 117.51 120.53 1lx6 h ILE 115 Ca 0.16 -0.16 0.11 0.00 1.00 0.00 0.00 64.86 65.97 1lx6 h ILE 115 Cb 0.31 1.12 -0.08 0.00 -0.74 0.00 0.00 36.82 37.43 1lx6 h ILE 115 CO -0.36 0.04 0.58 0.00 0.00 0.00 0.00 178.15 178.42 1lx6 h ALA 116 N 0.85 1.40 0.09 1.87 0.00 -1.02 -0.51 119.26 121.94 1lx6 h ALA 116 Ca -0.00 0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 1lx6 h ALA 116 Cb 0.10 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 17.73 1lx6 h ALA 116 CO 0.01 0.20 -1.21 0.45 0.00 0.00 0.00 179.25 178.70 1lx6 h HIS 117 N 0.94 1.03 0.17 0.00 3.86 -1.08 -2.38 115.15 117.69 1lx6 h HIS 117 Ca 0.46 -0.63 0.01 0.00 -1.16 0.00 0.00 60.37 59.05 1lx6 h HIS 117 Cb 0.43 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 1lx6 h HIS 117 CO -0.02 1.47 -0.18 0.22 0.86 0.00 0.00 177.93 180.28 1lx6 h ASP 118 N 0.31 -0.48 0.26 2.45 3.58 -0.02 -1.05 116.42 121.47 1lx6 h ASP 118 Ca -0.18 0.05 -0.30 0.00 0.42 0.00 0.00 57.03 57.02 1lx6 h ASP 118 Cb 1.87 0.17 0.03 0.00 1.72 0.00 0.00 39.33 43.12 1lx6 h ASP 118 CO 0.23 -0.27 -1.28 0.40 -2.88 0.00 0.00 179.24 175.44 1lx6 h ILE 119 N -0.38 1.32 0.00 2.25 1.08 -1.24 -2.46 117.51 118.09 1lx6 h ILE 119 Ca 0.01 -2.61 -0.11 0.00 -0.39 0.00 0.00 64.86 61.76 1lx6 h ILE 119 Cb 0.37 2.80 -0.02 0.00 -3.07 0.00 0.00 36.82 36.90 1lx6 h ILE 119 CO -0.05 0.79 -0.90 0.28 -0.69 0.00 0.00 178.15 177.57 1lx6 h SER 120 N 0.21 0.00 0.00 1.72 0.02 -1.50 -3.38 113.55 110.63 1lx6 h SER 120 Ca -0.19 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 1lx6 h SER 120 Cb 1.96 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.50 1lx6 h SER 120 CO 0.24 0.43 -0.90 -0.24 -1.14 0.00 0.00 176.83 175.22 1lx6 n SER 121 N -3.01 0.50 0.03 3.07 2.88 -0.54 -4.76 113.62 111.80 1lx6 n SER 121 Ca -0.03 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1lx6 n SER 121 Cb 0.74 -0.18 0.31 0.00 -0.75 0.00 0.00 64.21 64.34 1lx6 n SER 121 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1lx6 h TYR 122 N -0.12 0.46 -0.17 0.66 3.20 -1.02 -2.60 116.97 117.37 1lx6 h TYR 122 Ca -0.06 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.81 1lx6 h TYR 122 Cb 0.82 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.95 1lx6 h TYR 122 CO -0.02 0.50 0.21 0.66 -1.64 0.00 0.00 178.16 177.87 1lx6 h SER 123 N 0.42 0.00 0.50 -2.11 4.64 -1.62 -1.75 113.55 113.62 1lx6 h SER 123 Ca 0.09 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1lx6 h SER 123 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1lx6 h SER 123 CO 0.02 0.00 -0.24 0.15 -0.87 0.00 0.00 176.83 175.89 1lx6 h PHE 124 N 0.00 -0.62 0.00 4.77 3.57 -1.76 -2.68 116.94 120.23 1lx6 h PHE 124 Ca 0.08 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.48 1lx6 h PHE 124 Cb 0.49 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 1lx6 h PHE 124 CO 0.00 -0.30 -0.44 -0.24 -2.23 0.00 0.00 178.31 175.10 1lx6 h VAL 125 N -0.99 1.13 -0.57 1.41 3.04 -1.65 -2.79 116.25 115.82 1lx6 h VAL 125 Ca -0.07 -1.61 -0.05 0.00 -1.01 0.00 0.00 66.70 63.96 1lx6 h VAL 125 Cb 0.60 1.92 -0.03 0.00 -2.01 0.00 0.00 31.29 31.78 1lx6 h VAL 125 CO 0.11 0.43 0.15 0.00 -1.01 0.00 0.00 177.57 177.25 1lx6 h ALA 126 N 1.56 1.18 -0.13 3.17 0.00 -1.36 0.31 119.26 124.00 1lx6 h ALA 126 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1lx6 h ALA 126 Cb 0.88 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1lx6 h ALA 126 CO 0.06 0.56 -0.20 0.52 0.00 0.00 0.00 179.25 180.19 1lx6 h MET 127 N 0.85 0.36 -0.59 0.00 2.07 -1.21 -1.81 114.93 114.60 1lx6 h MET 127 Ca 0.19 -0.22 -0.04 0.00 -2.07 0.00 0.00 59.70 57.56 1lx6 h MET 127 Cb 0.29 0.02 -0.03 0.00 -1.87 0.00 0.00 31.60 30.02 1lx6 h MET 127 CO -0.00 0.80 0.20 0.00 1.07 0.00 0.00 176.91 178.98 1lx6 h ALA 128 N 0.55 1.23 0.07 6.32 0.00 -1.43 -1.13 119.26 124.87 1lx6 h ALA 128 Ca 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1lx6 h ALA 128 Cb 0.77 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1lx6 h ALA 128 CO 0.05 0.55 -0.11 -0.22 0.00 0.00 0.00 179.25 179.52 1lx6 h LYS 129 N 0.86 -0.21 0.00 0.00 3.64 -0.93 0.19 116.57 120.12 1lx6 h LYS 129 Ca 0.20 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1lx6 h LYS 129 Cb 0.23 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1lx6 h LYS 129 CO -0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 179.45 177.03 1lx6 h ALA 130 N 0.69 1.00 0.00 5.00 0.00 -0.78 -3.22 119.26 121.95 1lx6 h ALA 130 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1lx6 h ALA 130 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1lx6 h ALA 130 CO -0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1lx6 h ARG 132 N 0.00 -0.04 -0.58 0.00 2.43 -0.66 0.18 114.38 115.71 1lx6 h ARG 132 Ca 0.00 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 1lx6 h ARG 132 Cb 0.43 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1lx6 h ARG 132 CO 0.00 -0.03 0.39 0.66 -1.51 0.00 0.00 179.97 179.48 1lx6 h SER 133 N -0.05 0.41 0.64 -3.80 4.64 -1.87 -1.47 113.55 112.06 1lx6 h SER 133 Ca 0.32 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1lx6 h SER 133 Cb 0.59 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1lx6 h SER 133 CO -0.90 0.26 0.00 0.23 -0.87 0.00 0.00 176.83 175.55 1lx6 n MET 134 N -4.47 0.11 -2.90 4.77 2.81 0.64 -4.84 117.12 113.23 1lx6 n MET 134 Ca 0.09 0.11 -0.38 0.00 -1.81 0.00 0.00 57.70 55.70 1lx6 n MET 134 Cb 0.31 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 1lx6 n MET 134 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1lx6 s LEU 135 N -2.85 4.50 0.16 4.03 1.43 -0.56 -1.41 118.68 123.98 1lx6 s LEU 135 Ca 0.14 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 54.83 1lx6 s LEU 135 Cb 0.15 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 1lx6 s LEU 135 CO 0.38 0.10 0.53 0.20 0.23 0.00 0.00 176.35 177.79 1lx6 s ASN 136 N -1.35 6.75 0.40 2.29 0.01 -0.75 -4.90 114.94 117.38 1lx6 s ASN 136 Ca 0.42 1.00 -0.27 0.00 -0.71 0.00 0.00 52.86 53.30 1lx6 s ASN 136 Cb -0.22 -2.26 -0.09 0.00 0.41 0.00 0.00 41.25 39.09 1lx6 s ASN 136 CO 0.26 0.07 1.38 -2.16 -1.51 0.00 0.00 177.10 175.14 1lx6 s PRO 137 N -2.16 3.98 0.00 -0.60 0.04 -1.26 -1.07 135.00 133.92 1lx6 s PRO 137 Ca 0.39 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1lx6 s PRO 137 Cb -0.14 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1lx6 s PRO 137 CO 0.19 -0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1lx6 n GLY 138 N 0.61 0.65 3.75 0.56 0.00 0.16 -5.02 105.19 105.90 1lx6 n GLY 138 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1lx6 n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1lx6 s SER 139 N -2.71 7.38 -0.04 1.61 0.01 -0.24 -4.87 113.70 114.84 1lx6 s SER 139 Ca 0.00 2.11 0.04 0.00 1.31 0.00 0.00 55.95 59.40 1lx6 s SER 139 Cb 0.00 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.62 1lx6 s SER 139 CO 0.00 -0.09 -0.14 0.00 0.41 0.00 0.00 173.24 173.42 1lx6 s ALA 140 N -0.81 1.28 -0.07 1.44 0.00 -0.62 -0.88 121.76 122.10 1lx6 s ALA 140 Ca 0.45 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1lx6 s ALA 140 Cb -0.29 -0.44 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 1lx6 s ALA 140 CO 0.36 0.22 -0.06 -0.51 0.00 0.00 0.00 175.76 175.78 1lx6 s LEU 141 N 0.11 3.23 -0.01 0.00 1.43 -0.14 -3.35 118.68 119.95 1lx6 s LEU 141 Ca -0.04 0.00 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1lx6 s LEU 141 Cb -0.11 -1.71 -0.00 0.00 0.03 0.00 0.00 46.19 44.41 1lx6 s LEU 141 CO 0.02 0.36 -0.06 -0.22 0.23 0.00 0.00 176.35 176.68 1lx6 s LEU 142 N -0.82 1.94 0.41 1.79 2.96 -0.80 -1.45 118.68 122.72 1lx6 s LEU 142 Ca 0.12 -0.11 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1lx6 s LEU 142 Cb -0.11 -0.31 -0.05 0.00 0.50 0.00 0.00 46.19 46.22 1lx6 s LEU 142 CO 0.02 0.06 0.05 0.28 -1.32 0.00 0.00 176.35 175.43 1lx6 s THR 143 N -0.04 1.26 -0.09 3.68 -1.32 -0.94 0.11 115.64 118.30 1lx6 s THR 143 Ca 0.01 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.52 1lx6 s THR 143 Cb -0.03 -2.60 0.01 0.00 -1.51 0.00 0.00 72.50 68.37 1lx6 s THR 143 CO -0.00 0.00 -0.17 -0.76 -2.21 0.00 0.00 174.62 171.48 1lx6 s LEU 144 N -3.67 1.81 0.00 9.08 1.43 -1.22 -1.96 118.68 124.14 1lx6 s LEU 144 Ca 0.26 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.95 1lx6 s LEU 144 Cb 0.06 -1.09 -0.00 0.00 0.03 0.00 0.00 46.19 45.19 1lx6 s LEU 144 CO 0.13 0.07 0.03 -0.24 0.23 0.00 0.00 176.35 176.57 1lx6 n SER 145 N 3.84 1.63 -3.78 2.29 2.88 0.26 -4.94 113.62 115.81 1lx6 n SER 145 Ca -0.21 -1.77 -0.11 0.00 -1.33 0.00 0.00 58.87 55.45 1lx6 n SER 145 Cb 0.52 0.27 -0.08 0.00 -0.75 0.00 0.00 64.21 64.17 1lx6 n SER 145 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1lx6 s TYR 146 N -1.90 -0.07 0.52 0.66 5.04 -1.26 -2.77 117.35 117.57 1lx6 s TYR 146 Ca 0.04 -0.09 0.31 0.00 -2.44 0.00 0.00 57.07 54.90 1lx6 s TYR 146 Cb 0.00 0.07 1.45 0.00 0.35 0.00 0.00 41.96 43.83 1lx6 s TYR 146 CO 0.03 -0.48 1.85 1.25 -1.34 0.00 0.00 175.55 176.86 1lx6 h LEU 147 N 3.29 0.06 0.00 6.97 5.85 -1.91 -1.14 115.31 128.42 1lx6 h LEU 147 Ca -0.32 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.41 1lx6 h LEU 147 Cb 1.20 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1lx6 h LEU 147 CO 0.46 0.02 0.07 0.61 -0.34 0.00 0.00 178.44 179.26 1lx6 n GLY 148 N -1.70 -0.34 0.15 3.75 0.00 -1.26 -0.06 105.19 105.73 1lx6 n GLY 148 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 1lx6 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lx6 h ALA 149 N 1.65 0.03 0.00 4.61 0.00 -1.34 -3.37 119.26 120.84 1lx6 h ALA 149 Ca 0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 54.91 53.87 1lx6 h ALA 149 Cb 0.14 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1lx6 h ALA 149 CO 0.00 0.76 -1.64 0.39 0.00 0.00 0.00 179.25 178.76 1lx6 n GLU 150 N -3.72 0.63 -4.26 0.00 1.02 0.91 -4.56 120.64 110.67 1lx6 n GLU 150 Ca -0.12 0.22 -0.17 0.00 -0.02 0.00 0.00 57.16 57.07 1lx6 n GLU 150 Cb 1.00 -1.77 -0.11 0.00 -0.02 0.00 0.00 31.44 30.55 1lx6 n GLU 150 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1lx6 s ARG 151 N -2.76 1.07 -0.48 3.49 0.52 -0.35 -5.11 118.95 115.33 1lx6 s ARG 151 Ca -0.04 -1.36 -0.25 0.00 -0.52 0.00 0.00 55.73 53.55 1lx6 s ARG 151 Cb 0.08 -0.82 0.03 0.00 0.52 0.00 0.00 34.95 34.76 1lx6 s ARG 151 CO 0.82 0.14 0.91 0.00 0.02 0.00 0.00 175.30 177.19 1lx6 s ALA 152 N -2.70 3.22 -0.15 2.13 0.00 -1.26 -4.12 121.76 118.88 1lx6 s ALA 152 Ca 0.14 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.11 1lx6 s ALA 152 Cb -0.02 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 1lx6 s ALA 152 CO 0.03 -2.13 -0.00 0.42 0.00 0.00 0.00 175.76 174.07 1lx6 s ILE 153 N 3.75 4.22 0.24 0.00 1.01 -1.26 -5.07 121.20 124.09 1lx6 s ILE 153 Ca 0.34 -0.25 -0.31 0.00 0.00 0.00 0.00 60.65 60.44 1lx6 s ILE 153 Cb -0.11 -2.85 -0.14 0.00 0.01 0.00 0.00 42.46 39.37 1lx6 s ILE 153 CO 0.24 0.51 1.29 -2.65 0.00 0.00 0.00 174.94 174.32 1lx6 n PRO 154 N 3.27 1.76 0.00 2.79 -0.02 -1.26 -2.24 135.00 139.31 1lx6 n PRO 154 Ca -0.17 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1lx6 n PRO 154 Cb 0.53 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1lx6 n PRO 154 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1lx6 n ASN 155 N 1.83 0.00 0.22 2.55 3.02 -1.26 -4.72 115.26 116.90 1lx6 n ASN 155 Ca 0.11 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.73 1lx6 n ASN 155 Cb 0.31 -0.08 0.50 0.00 -0.61 0.00 0.00 39.78 39.90 1lx6 n ASN 155 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1lx6 h TYR 156 N 0.00 0.00 0.00 3.10 3.20 -1.74 -3.35 116.97 118.18 1lx6 h TYR 156 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1lx6 h TYR 156 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1lx6 h TYR 156 CO 0.00 0.26 0.00 0.09 -1.64 0.00 0.00 178.16 176.87 1lx6 n ASN 157 N -3.87 0.00 0.28 -2.11 3.02 -1.25 -1.28 115.26 110.04 1lx6 n ASN 157 Ca -0.02 0.00 0.18 0.00 -0.03 0.00 0.00 54.58 54.71 1lx6 n ASN 157 Cb 0.34 0.00 0.90 0.00 -0.61 0.00 0.00 39.78 40.41 1lx6 n ASN 157 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1lx6 h VAL 158 N 0.00 0.15 -0.20 2.41 3.04 -1.88 -0.22 116.25 119.54 1lx6 h VAL 158 Ca 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 65.61 1lx6 h VAL 158 Cb 0.00 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 30.04 1lx6 h VAL 158 CO 0.00 0.00 -0.23 0.24 -1.01 0.00 0.00 177.57 176.57 1lx6 h MET 159 N 0.00 0.37 -0.55 4.17 2.86 -1.56 -1.99 114.93 118.23 1lx6 h MET 159 Ca 0.04 -0.12 -0.03 0.00 -2.06 0.00 0.00 59.70 57.53 1lx6 h MET 159 Cb 0.54 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1lx6 h MET 159 CO -0.00 0.58 0.24 0.78 1.06 0.00 0.00 176.91 179.57 1lx6 h GLY 160 N 0.98 0.87 1.64 8.32 0.00 -1.05 -0.73 103.07 113.10 1lx6 h GLY 160 Ca 0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 1lx6 h GLY 160 CO 0.04 0.43 0.02 1.41 0.00 0.00 0.00 176.54 178.44 1lx6 h LEU 161 N 0.75 0.42 -0.37 3.11 4.07 -1.51 -1.76 115.31 120.04 1lx6 h LEU 161 Ca 0.19 -0.07 -0.17 0.00 0.08 0.00 0.00 57.88 57.91 1lx6 h LEU 161 Cb 0.16 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 1lx6 h LEU 161 CO -0.02 0.48 -0.81 0.00 -1.08 0.00 0.00 178.44 177.01 1lx6 h ALA 162 N 1.58 0.66 -0.17 1.53 0.00 -0.91 -2.49 119.26 119.46 1lx6 h ALA 162 Ca 0.10 -0.73 -0.15 0.00 0.00 0.00 0.00 54.91 54.13 1lx6 h ALA 162 Cb 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1lx6 h ALA 162 CO 0.00 1.01 -0.53 0.87 0.00 0.00 0.00 179.25 180.61 1lx6 h LYS 163 N 0.00 0.48 -0.31 0.00 1.79 -0.65 -1.84 116.57 116.05 1lx6 h LYS 163 Ca -0.01 -0.30 -0.03 0.00 -2.18 0.00 0.00 60.65 58.13 1lx6 h LYS 163 Cb 1.44 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.11 1lx6 h LYS 163 CO 0.10 0.89 0.06 0.00 -1.08 0.00 0.00 179.45 179.43 1lx6 h ALA 164 N 1.05 0.41 -0.72 3.86 0.00 -1.24 0.23 119.26 122.86 1lx6 h ALA 164 Ca 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1lx6 h ALA 164 Cb 1.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1lx6 h ALA 164 CO 0.10 0.09 0.34 1.03 0.00 0.00 0.00 179.25 180.81 1lx6 h SER 165 N 0.33 0.92 -0.07 0.00 0.87 -1.44 -0.93 113.55 113.22 1lx6 h SER 165 Ca 0.09 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1lx6 h SER 165 Cb 0.32 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1lx6 h SER 165 CO 0.00 0.78 -0.00 0.25 -0.53 0.00 0.00 176.83 177.33 1lx6 h LEU 166 N 1.01 0.12 -1.41 2.23 5.85 -0.95 0.13 115.31 122.30 1lx6 h LEU 166 Ca 0.25 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1lx6 h LEU 166 Cb 0.10 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1lx6 h LEU 166 CO -0.03 0.40 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.13 1lx6 h GLU 167 N -0.16 0.37 -0.37 1.25 5.08 -0.33 -0.85 114.58 119.57 1lx6 h GLU 167 Ca 0.02 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 1lx6 h GLU 167 Cb 0.34 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1lx6 h GLU 167 CO 0.00 0.41 -0.35 0.00 -1.00 0.00 0.00 179.01 178.07 1lx6 h ALA 168 N 1.63 0.67 -0.99 3.43 0.00 -0.91 -2.59 119.26 120.49 1lx6 h ALA 168 Ca 0.08 -0.44 0.04 0.00 0.00 0.00 0.00 54.91 54.60 1lx6 h ALA 168 Cb 0.26 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1lx6 h ALA 168 CO 0.01 0.67 0.65 -0.97 0.00 0.00 0.00 179.25 179.61 1lx6 h ASN 169 N 0.72 1.07 -0.89 0.00 -0.00 0.36 -2.05 115.58 114.79 1lx6 h ASN 169 Ca 0.07 -0.01 0.05 0.00 -0.00 0.00 0.00 56.30 56.41 1lx6 h ASN 169 Cb 0.92 -0.24 -0.05 0.00 -0.00 0.00 0.00 38.32 38.95 1lx6 h ASN 169 CO 0.09 0.73 0.58 0.58 -0.00 0.00 0.00 177.43 179.41 1lx6 h VAL 170 N 1.24 1.12 -0.02 2.57 2.07 -0.79 0.54 116.25 122.97 1lx6 h VAL 170 Ca 0.40 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1lx6 h VAL 170 Cb 0.03 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 29.75 1lx6 h VAL 170 CO -0.13 0.20 -0.03 0.03 0.02 0.00 0.00 177.57 177.65 1lx6 h ARG 171 N 1.08 0.06 -0.53 1.57 3.08 -1.30 -1.09 114.38 117.26 1lx6 h ARG 171 Ca 0.37 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.31 1lx6 h ARG 171 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1lx6 h ARG 171 CO -0.12 0.59 0.07 1.88 -1.07 0.00 0.00 179.97 181.32 1lx6 h TYR 172 N -0.47 0.94 -0.49 3.04 -1.99 -1.33 -0.34 116.97 116.33 1lx6 h TYR 172 Ca 0.00 -0.14 -0.09 0.00 2.00 0.00 0.00 58.73 60.51 1lx6 h TYR 172 Cb 0.59 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 1lx6 h TYR 172 CO 0.12 0.85 -0.04 0.52 -0.00 0.00 0.00 178.16 179.61 1lx6 h MET 173 N 0.76 0.90 -0.90 4.88 2.86 -0.96 -2.36 114.93 120.10 1lx6 h MET 173 Ca 0.16 -0.31 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1lx6 h MET 173 Cb 0.43 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 1lx6 h MET 173 CO 0.01 0.95 0.59 0.00 1.06 0.00 0.00 176.91 179.52 1lx6 h ALA 174 N 0.92 1.15 -0.06 6.32 0.00 -0.89 -0.96 119.26 125.73 1lx6 h ALA 174 Ca 0.14 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1lx6 h ALA 174 Cb 0.57 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1lx6 h ALA 174 CO 0.03 0.52 -0.66 -0.97 0.00 0.00 0.00 179.25 178.17 1lx6 h ASN 175 N 1.20 0.29 0.07 0.00 -0.00 -1.02 -2.17 115.58 113.94 1lx6 h ASN 175 Ca 0.33 -0.18 -0.10 0.00 -0.00 0.00 0.00 56.30 56.35 1lx6 h ASN 175 Cb -0.12 -0.09 0.01 0.00 -0.00 0.00 0.00 38.32 38.12 1lx6 h ASN 175 CO -0.08 0.87 -0.45 0.00 -0.00 0.00 0.00 177.43 177.77 1lx6 h ALA 176 N 1.13 -0.02 0.00 1.57 0.00 -1.18 -3.38 119.26 117.37 1lx6 h ALA 176 Ca -0.01 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 1lx6 h ALA 176 Cb 1.20 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1lx6 h ALA 176 CO 0.10 0.22 -0.43 0.52 0.00 0.00 0.00 179.25 179.66 1lx6 h MET 177 N -0.70 0.00 -0.85 0.00 2.86 -1.29 -3.37 114.93 111.57 1lx6 h MET 177 Ca -0.09 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.74 1lx6 h MET 177 Cb 1.32 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.82 1lx6 h MET 177 CO 0.06 0.43 -0.10 0.78 1.06 0.00 0.00 176.91 179.13 1lx6 h GLY 178 N 3.28 0.80 1.25 8.32 0.00 -1.32 -0.34 103.07 115.06 1lx6 h GLY 178 Ca -0.00 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.59 1lx6 h GLY 178 CO 0.06 -0.35 0.33 -2.55 0.00 0.00 0.00 176.54 174.02 1lx6 h PRO 179 N 0.03 0.00 -0.32 4.80 0.11 -1.83 0.17 132.00 134.96 1lx6 h PRO 179 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1lx6 h PRO 179 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1lx6 h PRO 179 CO -0.82 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 177.36 1lx6 n GLU 180 N -3.37 2.36 -0.08 1.05 4.71 -0.14 -4.94 120.64 120.23 1lx6 n GLU 180 Ca 0.02 -2.05 0.00 0.00 -0.01 0.00 0.00 57.16 55.12 1lx6 n GLU 180 Cb 0.43 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.37 1lx6 n GLU 180 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1lx6 n GLY 181 N 1.43 0.95 3.54 0.62 0.00 0.05 -4.39 105.19 107.39 1lx6 n GLY 181 Ca 0.18 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1lx6 n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1lx6 s VAL 182 N -2.00 3.83 0.11 1.61 1.01 -1.21 0.36 120.40 124.11 1lx6 s VAL 182 Ca 0.00 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.64 1lx6 s VAL 182 Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1lx6 s VAL 182 CO 0.00 0.54 -0.02 -0.13 0.00 0.00 0.00 175.10 175.49 1lx6 s ARG 183 N -0.14 2.41 -0.08 2.72 0.52 -0.06 -3.10 118.95 121.23 1lx6 s ARG 183 Ca 0.02 -0.94 -0.02 0.00 -0.52 0.00 0.00 55.73 54.28 1lx6 s ARG 183 Cb -0.13 -2.45 0.03 0.00 0.52 0.00 0.00 34.95 32.93 1lx6 s ARG 183 CO 0.03 0.52 0.03 0.08 0.02 0.00 0.00 175.30 175.97 1lx6 s VAL 184 N -1.37 0.19 0.35 3.52 1.01 -1.26 -0.97 120.40 121.88 1lx6 s VAL 184 Ca 0.25 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.41 1lx6 s VAL 184 Cb -0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.80 1lx6 s VAL 184 CO 0.17 0.15 0.13 0.59 0.00 0.00 0.00 175.10 176.15 1lx6 n ASN 185 N 5.20 1.12 -3.77 3.32 3.02 -0.53 -0.28 115.26 123.35 1lx6 n ASN 185 Ca -0.06 -2.89 -0.13 0.00 -0.03 0.00 0.00 54.58 51.47 1lx6 n ASN 185 Cb 0.50 0.92 -0.09 0.00 -0.61 0.00 0.00 39.78 40.50 1lx6 n ASN 185 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lx6 s ALA 186 N -2.97 -0.74 -0.18 5.41 0.00 -0.34 -2.21 121.76 120.73 1lx6 s ALA 186 Ca 0.19 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.38 1lx6 s ALA 186 Cb 0.01 0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 1lx6 s ALA 186 CO 0.13 -0.28 -0.12 0.42 0.00 0.00 0.00 175.76 175.92 1lx6 s ILE 187 N -1.51 2.87 -0.57 0.00 1.01 -0.83 -0.38 121.20 121.79 1lx6 s ILE 187 Ca -0.12 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 1lx6 s ILE 187 Cb -0.05 -2.25 0.12 0.00 0.01 0.00 0.00 42.46 40.29 1lx6 s ILE 187 CO 0.03 0.49 0.59 -0.55 0.00 0.00 0.00 174.94 175.50 1lx6 s SER 188 N 1.11 6.20 0.23 3.58 0.15 0.33 -0.57 113.70 124.73 1lx6 s SER 188 Ca 0.01 -1.67 -0.18 0.00 0.70 0.00 0.00 55.95 54.81 1lx6 s SER 188 Cb -0.14 -2.25 -0.08 0.00 -1.71 0.00 0.00 66.02 61.83 1lx6 s SER 188 CO -0.03 -0.96 0.70 0.00 1.20 0.00 0.00 173.24 174.14 1lx6 s ALA 189 N 2.02 3.42 0.86 5.45 0.00 -1.11 -0.76 121.76 131.64 1lx6 s ALA 189 Ca 0.07 0.08 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 1lx6 s ALA 189 Cb -0.27 -2.75 0.11 0.00 0.00 0.00 0.00 23.12 20.20 1lx6 s ALA 189 CO 0.04 0.35 1.09 0.20 0.00 0.00 0.00 175.76 177.44 1lx6 s GLY 190 N -1.81 1.63 -0.02 0.00 0.00 -0.24 -4.65 107.32 102.24 1lx6 s GLY 190 Ca 0.45 -0.00 -0.30 0.00 0.00 0.00 0.00 44.72 44.86 1lx6 s GLY 190 CO 0.20 0.45 1.59 2.56 0.00 0.00 0.00 173.10 177.90 1lx6 s PRO 191 N -4.95 4.21 -0.04 2.90 0.04 -1.26 -4.83 135.00 131.06 1lx6 s PRO 191 Ca 0.63 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1lx6 s PRO 191 Cb -0.17 -3.81 0.04 0.00 0.04 0.00 0.00 34.50 30.60 1lx6 s PRO 191 CO 0.56 -0.76 1.56 -0.89 0.04 0.00 0.00 177.00 177.51 1lx6 n ILE 192 N 5.13 1.67 0.00 0.56 2.08 -1.26 -4.47 119.36 123.08 1lx6 n ILE 192 Ca 0.16 -0.43 0.00 0.00 0.56 0.00 0.00 62.75 63.04 1lx6 n ILE 192 Cb 0.42 -1.23 0.00 0.00 -0.75 0.00 0.00 39.64 38.08 1lx6 n ILE 192 CO 0.00 0.00 0.00 0.80 0.56 0.00 0.00 176.55 177.91 1lx6 n MET 206 N 0.87 0.00 -0.32 0.38 0.00 -1.26 -5.11 117.12 111.68 1lx6 n MET 206 Ca 0.05 0.00 0.07 0.00 -0.00 0.00 0.00 57.70 57.81 1lx6 n MET 206 Cb 0.55 0.00 0.23 0.00 0.00 0.00 0.00 33.22 33.99 1lx6 n MET 206 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1lx6 h LEU 207 N 0.00 0.70 -0.51 -0.89 3.38 -1.98 0.13 115.31 116.14 1lx6 h LEU 207 Ca 0.00 0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1lx6 h LEU 207 Cb 0.00 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1lx6 h LEU 207 CO 0.00 0.34 -0.47 0.00 0.09 0.00 0.00 178.44 178.40 1lx6 h ALA 208 N 1.54 0.69 -0.35 1.53 0.00 -2.01 0.41 119.26 121.07 1lx6 h ALA 208 Ca 0.47 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1lx6 h ALA 208 Cb 0.57 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1lx6 h ALA 208 CO -0.31 0.67 -0.01 1.25 0.00 0.00 0.00 179.25 180.86 1lx6 h HIS 209 N 0.54 0.68 -0.61 0.00 -0.00 -1.67 -2.18 115.15 111.90 1lx6 h HIS 209 Ca 0.03 -0.12 -0.08 0.00 -0.00 0.00 0.00 60.37 60.20 1lx6 h HIS 209 Cb 1.02 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 28.23 1lx6 h HIS 209 CO 0.05 0.73 0.05 0.00 -0.00 0.00 0.00 177.93 178.76 1lx6 h GLU 211 N 0.96 0.00 0.04 0.00 5.08 -0.75 0.06 114.58 119.97 1lx6 h GLU 211 Ca 0.18 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.31 1lx6 h GLU 211 Cb 0.48 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 1lx6 h GLU 211 CO 0.02 0.26 -1.05 0.00 -1.00 0.00 0.00 179.01 177.24 1lx6 h ALA 212 N 1.74 0.31 -0.01 3.43 0.00 -1.03 -3.33 119.26 120.37 1lx6 h ALA 212 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1lx6 h ALA 212 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1lx6 h ALA 212 CO 0.03 1.09 -0.29 1.33 0.00 0.00 0.00 179.25 181.42 1lx6 n VAL 213 N -3.47 0.00 -2.85 0.00 0.24 -0.71 -4.97 118.33 106.57 1lx6 n VAL 213 Ca -0.03 -0.36 -0.41 0.00 -2.04 0.00 0.00 64.34 61.50 1lx6 n VAL 213 Cb 0.94 1.20 -0.04 0.00 -1.47 0.00 0.00 33.84 34.47 1lx6 n VAL 213 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1lx6 s THR 214 N -1.80 4.84 0.28 3.34 2.01 -0.02 -4.87 115.64 119.42 1lx6 s THR 214 Ca 0.14 1.82 -0.01 0.00 0.31 0.00 0.00 61.69 63.95 1lx6 s THR 214 Cb 0.13 -4.21 0.33 0.00 0.01 0.00 0.00 72.50 68.76 1lx6 s THR 214 CO 0.37 0.24 1.62 -0.65 -0.69 0.00 0.00 174.62 175.52 1lx6 h PRO 215 N 6.41 0.12 0.00 4.92 0.11 -1.79 0.86 132.00 142.63 1lx6 h PRO 215 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1lx6 h PRO 215 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1lx6 h PRO 215 CO 0.74 0.08 0.00 0.44 -0.21 0.00 0.00 178.00 179.05 1lx6 n ILE 216 N -5.33 0.01 -3.68 4.15 -5.35 -1.20 -4.92 119.36 103.03 1lx6 n ILE 216 Ca 0.20 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.43 1lx6 n ILE 216 Cb 0.64 -0.53 0.06 0.00 -1.74 0.00 0.00 39.64 38.08 1lx6 n ILE 216 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1lx6 n ARG 217 N -1.04 -6.68 -3.59 6.28 5.12 0.30 -4.97 116.66 112.06 1lx6 n ARG 217 Ca 0.21 0.74 -0.10 0.00 -1.93 0.00 0.00 57.85 56.78 1lx6 n ARG 217 Cb 0.12 -5.68 -0.05 0.00 -1.16 0.00 0.00 32.46 25.69 1lx6 n ARG 217 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1lx6 s ARG 218 N -6.23 0.53 0.75 5.56 1.70 -1.25 -4.87 118.95 115.15 1lx6 s ARG 218 Ca 0.46 0.19 -0.11 0.00 -0.47 0.00 0.00 55.73 55.80 1lx6 s ARG 218 Cb -0.21 0.25 0.04 0.00 -0.57 0.00 0.00 34.95 34.46 1lx6 s ARG 218 CO 0.77 -0.15 1.08 0.95 -1.08 0.00 0.00 175.30 176.87 1lx6 s THR 219 N -0.90 3.47 0.42 4.99 -4.23 -1.26 -4.79 115.64 113.34 1lx6 s THR 219 Ca -0.00 0.48 -0.05 0.00 -1.18 0.00 0.00 61.69 60.93 1lx6 s THR 219 Cb -0.01 -3.23 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 1lx6 s THR 219 CO -0.00 -0.62 0.72 0.68 -0.54 0.00 0.00 174.62 174.85 1lx6 s VAL 220 N -3.12 4.93 0.43 2.29 -7.23 -1.26 -5.06 120.40 111.38 1lx6 s VAL 220 Ca 0.60 0.16 0.07 0.00 -1.81 0.00 0.00 61.98 61.00 1lx6 s VAL 220 Cb -0.14 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 32.95 1lx6 s VAL 220 CO 0.54 -0.68 0.34 0.42 -0.31 0.00 0.00 175.10 175.41 1lx6 s THR 221 N -2.53 2.45 -0.37 5.32 -4.23 -1.26 -4.54 115.64 110.48 1lx6 s THR 221 Ca 0.47 -1.44 0.26 0.00 -1.18 0.00 0.00 61.69 59.79 1lx6 s THR 221 Cb -0.10 -2.89 0.28 0.00 1.34 0.00 0.00 72.50 71.13 1lx6 s THR 221 CO 0.39 0.00 1.77 0.16 -0.54 0.00 0.00 174.62 176.41 1lx6 h ILE 222 N 1.08 0.00 0.09 2.99 3.07 -1.94 -1.52 117.51 121.29 1lx6 h ILE 222 Ca -0.41 -0.31 -0.00 0.00 1.55 0.00 0.00 64.86 65.69 1lx6 h ILE 222 Cb 1.27 1.11 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 1lx6 h ILE 222 CO 0.60 0.00 -0.04 -0.33 -1.05 0.00 0.00 178.15 177.33 1lx6 h GLU 223 N 0.00 -0.12 -0.48 0.16 3.07 -1.94 0.39 114.58 115.65 1lx6 h GLU 223 Ca 0.00 0.01 0.09 0.00 -0.50 0.00 0.00 59.36 58.95 1lx6 h GLU 223 Cb 0.42 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 28.28 1lx6 h GLU 223 CO 0.00 0.41 0.07 -0.44 -1.40 0.00 0.00 179.01 177.64 1lx6 h ASP 224 N -0.76 -0.06 -0.47 1.42 3.32 -1.78 -0.16 116.42 117.92 1lx6 h ASP 224 Ca -0.01 0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1lx6 h ASP 224 Cb 0.58 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 1lx6 h ASP 224 CO 0.02 -0.00 -0.16 0.58 -1.72 0.00 0.00 179.24 177.96 1lx6 h VAL 225 N 0.19 1.27 -0.53 -1.35 2.07 -1.34 -2.90 116.25 113.66 1lx6 h VAL 225 Ca 0.24 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.41 1lx6 h VAL 225 Cb 0.34 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1lx6 h VAL 225 CO -0.34 0.45 0.14 1.23 0.02 0.00 0.00 177.57 179.07 1lx6 h GLY 226 N 0.93 0.90 1.01 2.17 0.00 -0.15 -0.74 103.07 107.18 1lx6 h GLY 226 Ca 0.12 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1lx6 h GLY 226 CO 0.05 0.51 0.42 3.43 0.00 0.00 0.00 176.54 180.96 1lx6 h ASN 227 N 0.74 0.73 -0.56 0.19 2.35 -1.01 -0.10 115.58 117.91 1lx6 h ASN 227 Ca 0.17 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.78 1lx6 h ASN 227 Cb 0.31 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1lx6 h ASN 227 CO -0.00 0.53 -0.09 0.28 -1.65 0.00 0.00 177.43 176.51 1lx6 h SER 228 N 0.86 1.05 -0.49 5.81 0.02 -1.33 -2.68 113.55 116.79 1lx6 h SER 228 Ca 0.23 -0.34 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1lx6 h SER 228 Cb -0.09 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.14 1lx6 h SER 228 CO -0.05 1.14 0.15 0.00 -1.14 0.00 0.00 176.83 176.94 1lx6 h ALA 229 N 0.94 0.64 -0.74 3.77 0.00 -0.78 -0.27 119.26 122.81 1lx6 h ALA 229 Ca 0.15 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1lx6 h ALA 229 Cb 0.66 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1lx6 h ALA 229 CO 0.05 0.30 0.41 0.00 0.00 0.00 0.00 179.25 180.00 1lx6 h ALA 230 N 1.01 1.03 -0.29 0.00 0.00 -0.96 -1.11 119.26 118.93 1lx6 h ALA 230 Ca 0.16 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 1lx6 h ALA 230 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1lx6 h ALA 230 CO -0.00 0.06 -0.28 0.35 0.00 0.00 0.00 179.25 179.37 1lx6 h PHE 231 N 0.72 0.85 0.00 0.00 3.57 -1.12 -2.46 116.94 118.50 1lx6 h PHE 231 Ca 0.35 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1lx6 h PHE 231 Cb 0.29 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.85 1lx6 h PHE 231 CO -0.08 1.00 0.00 1.28 -2.23 0.00 0.00 178.31 178.28 1lx6 n LEU 232 N -4.26 0.55 -0.70 0.59 4.77 -0.15 -1.67 117.00 116.14 1lx6 n LEU 232 Ca -0.04 0.67 0.08 0.00 -0.03 0.00 0.00 56.01 56.69 1lx6 n LEU 232 Cb 0.47 -0.64 0.11 0.00 -2.33 0.00 0.00 43.42 41.03 1lx6 n LEU 232 CO 0.45 -0.65 0.55 0.00 -1.33 0.00 0.00 177.39 176.41 1lx6 s SER 234 N -1.19 5.38 0.01 0.00 1.04 -0.67 -4.69 113.70 113.58 1lx6 s SER 234 Ca 0.22 -0.52 0.16 0.00 0.48 0.00 0.00 55.95 56.29 1lx6 s SER 234 Cb 0.14 -0.82 0.68 0.00 0.10 0.00 0.00 66.02 66.12 1lx6 s SER 234 CO 0.20 -0.54 1.51 0.47 0.98 0.00 0.00 173.24 175.86 1lx6 n ASP 235 N -1.56 0.03 0.29 7.02 8.00 -1.26 -2.23 116.55 126.84 1lx6 n ASP 235 Ca 0.02 0.51 0.17 0.00 0.71 0.00 0.00 54.79 56.20 1lx6 n ASP 235 Cb 0.60 -0.51 0.87 0.00 -0.02 0.00 0.00 41.12 42.06 1lx6 n ASP 235 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1lx6 h LEU 236 N 0.00 0.00 -3.59 0.64 3.38 -1.89 -2.05 115.31 111.80 1lx6 h LEU 236 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1lx6 h LEU 236 Cb 0.28 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.86 1lx6 h LEU 236 CO 0.00 0.05 0.20 -1.54 0.09 0.00 0.00 178.44 177.24 1lx6 n SER 237 N -3.33 3.30 -0.16 -0.43 3.41 -0.95 -4.74 113.62 110.72 1lx6 n SER 237 Ca -0.02 -3.58 0.26 0.00 -0.26 0.00 0.00 58.87 55.27 1lx6 n SER 237 Cb 0.20 -0.70 0.70 0.00 -0.26 0.00 0.00 64.21 64.15 1lx6 n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lx6 h ALA 238 N 1.29 2.74 -0.06 7.33 0.00 -1.54 0.13 119.26 129.14 1lx6 h ALA 238 Ca 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1lx6 h ALA 238 Cb 2.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1lx6 h ALA 238 CO 0.64 -0.98 0.00 0.41 0.00 0.00 0.00 179.25 179.32 1lx6 n GLY 239 N -1.68 0.08 3.26 0.00 0.00 -1.26 -4.79 105.19 100.79 1lx6 n GLY 239 Ca 0.17 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.38 1lx6 n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1lx6 s ILE 240 N -1.93 3.91 -0.00 -0.61 1.01 0.47 -5.08 121.20 118.96 1lx6 s ILE 240 Ca 0.36 -1.30 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1lx6 s ILE 240 Cb 0.20 -3.31 -0.00 0.00 0.01 0.00 0.00 42.46 39.35 1lx6 s ILE 240 CO 0.31 -0.34 0.01 -0.55 0.00 0.00 0.00 174.94 174.38 1lx6 s SER 241 N 1.69 0.04 -0.51 3.58 0.15 -1.26 -4.78 113.70 112.61 1lx6 s SER 241 Ca 0.01 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1lx6 s SER 241 Cb -0.21 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 1lx6 s SER 241 CO 0.02 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1lx6 n GLY 242 N 2.65 0.74 3.89 9.45 0.00 0.62 -4.95 105.19 117.60 1lx6 n GLY 242 Ca -0.15 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 1lx6 n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1lx6 s GLU 243 N -2.06 3.27 -0.50 1.61 2.56 -1.26 -4.62 118.70 117.70 1lx6 s GLU 243 Ca 0.00 -0.64 0.02 0.00 0.00 0.00 0.00 54.97 54.35 1lx6 s GLU 243 Cb 0.00 -2.88 0.13 0.00 2.00 0.00 0.00 34.13 33.38 1lx6 s GLU 243 CO 0.00 0.53 0.26 0.08 -0.56 0.00 0.00 175.26 175.57 1lx6 s VAL 244 N -1.68 2.80 -0.06 3.70 1.01 -1.26 -1.19 120.40 123.72 1lx6 s VAL 244 Ca 0.33 -3.01 -0.30 0.00 0.00 0.00 0.00 61.98 59.00 1lx6 s VAL 244 Cb -0.11 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 1lx6 s VAL 244 CO 0.27 -0.78 1.04 -0.69 0.00 0.00 0.00 175.10 174.94 1lx6 s VAL 245 N 0.04 4.68 -0.42 2.92 1.01 0.49 -4.78 120.40 124.34 1lx6 s VAL 245 Ca 0.15 1.94 -0.26 0.00 0.00 0.00 0.00 61.98 63.82 1lx6 s VAL 245 Cb -0.23 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 31.92 1lx6 s VAL 245 CO -0.02 0.05 0.94 -1.00 0.00 0.00 0.00 175.10 175.07 1lx6 s HIS 246 N 1.71 2.98 -0.78 5.22 3.76 -1.26 -0.52 115.29 126.40 1lx6 s HIS 246 Ca 0.51 0.58 0.03 0.00 -0.15 0.00 0.00 55.06 56.03 1lx6 s HIS 246 Cb -0.21 -3.86 0.27 0.00 1.11 0.00 0.00 32.58 29.89 1lx6 s HIS 246 CO 0.22 -0.99 0.98 0.28 -0.85 0.00 0.00 174.74 174.37 1lx6 n VAL 247 N 6.26 3.32 -1.75 -0.90 0.31 0.06 -4.70 118.33 120.92 1lx6 n VAL 247 Ca 0.07 -5.45 0.03 0.00 -0.01 0.00 0.00 64.34 58.98 1lx6 n VAL 247 Cb 0.48 -2.10 0.04 0.00 -0.91 0.00 0.00 33.84 31.35 1lx6 n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1lx6 n ASP 248 N 1.03 0.63 -1.38 4.52 5.75 -1.26 -1.08 116.55 124.76 1lx6 n ASP 248 Ca 0.28 -2.29 -0.16 0.00 -0.01 0.00 0.00 54.79 52.61 1lx6 n ASP 248 Cb 0.38 -0.26 -0.05 0.00 -1.03 0.00 0.00 41.12 40.16 1lx6 n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1lx6 n GLY 249 N -0.38 1.14 1.91 6.12 0.00 -1.26 -2.32 105.19 110.39 1lx6 n GLY 249 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1lx6 n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lx6 n GLY 250 N -1.01 0.50 0.35 -0.02 0.00 -1.26 -3.27 105.19 100.48 1lx6 n GLY 250 Ca -0.17 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.65 1lx6 n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1lx6 h PHE 251 N 0.00 1.10 0.00 1.61 3.57 -1.80 -2.63 116.94 118.80 1lx6 h PHE 251 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1lx6 h PHE 251 Cb 0.00 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 1lx6 h PHE 251 CO 0.00 0.55 -0.01 0.66 -2.23 0.00 0.00 178.31 177.28 1lx6 h SER 252 N 1.07 0.00 -0.53 0.41 4.64 -1.92 -3.13 113.55 114.09 1lx6 h SER 252 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1lx6 h SER 252 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1lx6 h SER 252 CO -0.18 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.09 1lx6 n ILE 253 N -3.11 1.84 -4.37 0.95 -6.64 -0.99 -4.91 119.36 102.13 1lx6 n ILE 253 Ca 0.01 -1.06 -0.24 0.00 -1.77 0.00 0.00 62.75 59.69 1lx6 n ILE 253 Cb 0.31 -0.08 -0.08 0.00 -1.44 0.00 0.00 39.64 38.35 1lx6 n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1lx6 s ALA 254 N -2.06 3.01 -0.09 -1.28 0.00 -1.19 -5.14 121.76 115.02 1lx6 s ALA 254 Ca 0.44 -1.78 -0.10 0.00 0.00 0.00 0.00 51.96 50.52 1lx6 s ALA 254 Cb 0.31 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1lx6 s ALA 254 CO 0.18 0.24 0.27 0.00 0.00 0.00 0.00 175.76 176.46 1lx6 s ALA 255 N -2.42 -0.67 -1.68 0.00 0.00 -1.26 -4.93 121.76 110.80 1lx6 s ALA 255 Ca 0.31 0.66 -0.12 0.00 0.00 0.00 0.00 51.96 52.81 1lx6 s ALA 255 Cb -0.05 -0.35 0.12 0.00 0.00 0.00 0.00 23.12 22.84 1lx6 s ALA 255 CO 0.18 -0.15 0.42 -1.33 0.00 0.00 0.00 175.76 174.88 1lx6 n MET 256 N 2.62 -1.63 0.00 0.00 2.81 -1.26 -5.24 117.12 114.42 1lx6 n MET 256 Ca -0.15 0.21 0.11 0.00 -1.81 0.00 0.00 57.70 56.06 1lx6 n MET 256 Cb 0.58 -4.41 0.65 0.00 -0.71 0.00 0.00 33.22 29.32 1lx6 n MET 256 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57