#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lul s THR 3 N 0.00 0.58 -0.14 0.52 2.01 -1.26 -1.04 115.64 116.31 3lul s THR 3 Ca 0.00 -0.07 0.01 0.00 0.31 0.00 0.00 61.69 61.94 3lul s THR 3 Cb 0.00 -0.65 -0.00 0.00 0.01 0.00 0.00 72.50 71.86 3lul s THR 3 CO 0.00 0.27 -0.17 -0.60 -0.69 0.00 0.00 174.62 173.43 3lul s ARG 4 N 1.42 3.22 -0.15 4.92 3.52 0.17 -4.92 118.95 127.13 3lul s ARG 4 Ca -0.03 -0.76 -0.27 0.00 -0.13 0.00 0.00 55.73 54.54 3lul s ARG 4 Cb -0.13 -2.55 -0.01 0.00 -1.56 0.00 0.00 34.95 30.69 3lul s ARG 4 CO -0.03 0.10 0.88 0.08 -0.81 0.00 0.00 175.30 175.52 3lul s VAL 5 N 0.60 4.85 -0.37 7.11 1.01 -1.26 -0.87 120.40 131.48 3lul s VAL 5 Ca -0.09 1.76 -0.26 0.00 0.00 0.00 0.00 61.98 63.38 3lul s VAL 5 Cb -0.16 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 32.05 3lul s VAL 5 CO 0.03 0.02 0.93 -0.63 0.00 0.00 0.00 175.10 175.45 3lul s ILE 6 N 2.13 4.58 0.32 2.22 1.01 -0.19 -4.92 121.20 126.35 3lul s ILE 6 Ca 0.41 1.22 0.04 0.00 0.00 0.00 0.00 60.65 62.32 3lul s ILE 6 Cb -0.17 -4.34 -0.02 0.00 0.01 0.00 0.00 42.46 37.95 3lul s ILE 6 CO 0.14 -0.53 0.47 -0.70 0.00 0.00 0.00 174.94 174.31 3lul s GLU 7 N 3.48 3.26 0.22 2.79 2.56 -1.26 -4.67 118.70 125.07 3lul s GLU 7 Ca 0.38 -0.78 -0.32 0.00 0.00 0.00 0.00 54.97 54.26 3lul s GLU 7 Cb -0.12 -2.79 -0.12 0.00 2.00 0.00 0.00 34.13 33.10 3lul s GLU 7 CO 0.18 0.15 1.71 -0.25 -0.56 0.00 0.00 175.26 176.50 3lul n ASP 8 N -1.64 4.00 -0.27 -1.70 9.92 -1.26 -4.58 116.55 121.02 3lul n ASP 8 Ca -0.03 1.07 0.00 0.00 -0.53 0.00 0.00 54.79 55.30 3lul n ASP 8 Cb 0.57 -1.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.47 3lul n ASP 8 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3lul n LYS 9 N 3.76 0.00 -1.67 -1.24 5.02 -1.26 -5.03 118.16 117.75 3lul n LYS 9 Ca 0.15 -0.13 -0.44 0.00 -2.02 0.00 0.00 58.31 55.87 3lul n LYS 9 Cb 0.35 -0.08 -0.02 0.00 -0.02 0.00 0.00 35.03 35.26 3lul n LYS 9 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3lul n THR 13 N 0.00 1.32 -2.32 -0.18 -1.04 -1.26 -5.25 114.28 105.55 3lul n THR 13 Ca 0.00 -0.33 -0.32 0.00 -2.04 0.00 0.00 64.05 61.35 3lul n THR 13 Cb 0.52 -1.43 -0.02 0.00 -1.82 0.00 0.00 70.33 67.58 3lul n THR 13 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3lul s PRO 14 N -0.91 3.76 0.33 -2.82 0.04 -1.26 -5.08 135.00 129.06 3lul s PRO 14 Ca 0.64 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.79 3lul s PRO 14 Cb -0.64 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 31.78 3lul s PRO 14 CO 0.54 -0.43 0.36 0.45 0.04 0.00 0.00 177.00 177.96 3lul n SER 15 N -1.62 -0.96 -4.85 6.66 2.88 -1.26 -5.08 113.62 109.38 3lul n SER 15 Ca 0.07 -3.02 -0.36 0.00 -1.33 0.00 0.00 58.87 54.24 3lul n SER 15 Cb 0.54 1.99 -0.06 0.00 -0.75 0.00 0.00 64.21 65.93 3lul n SER 15 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3lul s PHE 16 N -3.16 3.62 0.69 0.66 0.08 -1.26 -5.08 117.98 113.53 3lul s PHE 16 Ca 0.35 0.91 -0.11 0.00 0.12 0.00 0.00 56.93 58.19 3lul s PHE 16 Cb 0.01 -2.25 0.01 0.00 -0.57 0.00 0.00 43.02 40.22 3lul s PHE 16 CO 0.25 0.52 1.08 0.20 -0.10 0.00 0.00 175.22 177.17 3lul s GLY 17 N -1.60 1.64 0.50 4.36 0.00 -1.26 -4.95 107.32 106.02 3lul s GLY 17 Ca 0.32 -0.24 0.31 0.00 0.00 0.00 0.00 44.72 45.12 3lul s GLY 17 CO 0.17 0.11 1.91 1.19 0.00 0.00 0.00 173.10 176.48 3lul h ILE 18 N -0.61 0.00 -0.03 0.90 6.09 -2.03 -1.46 117.51 120.37 3lul h ILE 18 Ca -0.45 -0.55 0.00 0.00 -1.37 0.00 0.00 64.86 62.49 3lul h ILE 18 Cb 1.24 1.52 0.00 0.00 0.47 0.00 0.00 36.82 40.05 3lul h ILE 18 CO 0.62 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.80 3lul n ASP 19 N -3.00 0.43 -4.75 2.19 5.75 -1.26 -4.91 116.55 111.01 3lul n ASP 19 Ca 0.01 -1.37 -0.41 0.00 -0.01 0.00 0.00 54.79 53.02 3lul n ASP 19 Cb 0.33 -0.02 -0.04 0.00 -1.03 0.00 0.00 41.12 40.36 3lul n ASP 19 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3lul s ASP 20 N -1.73 7.28 0.07 -1.12 -1.08 -0.55 -2.88 116.67 116.66 3lul s ASP 20 Ca 0.35 2.17 0.15 0.00 -0.52 0.00 0.00 52.55 54.70 3lul s ASP 20 Cb 0.17 -2.61 0.64 0.00 -1.46 0.00 0.00 42.92 39.66 3lul s ASP 20 CO 0.28 -0.18 1.47 0.54 0.52 0.00 0.00 175.17 177.80 3lul n ARG 21 N 1.83 0.05 0.10 4.34 1.74 -0.34 -2.19 116.66 122.19 3lul n ARG 21 Ca 0.01 0.33 0.19 0.00 -0.77 0.00 0.00 57.85 57.60 3lul n ARG 21 Cb 0.45 -1.59 0.75 0.00 -1.02 0.00 0.00 32.46 31.05 3lul n ARG 21 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3lul h ILE 22 N 0.00 0.58 0.00 0.55 2.10 -1.83 -0.06 117.51 118.85 3lul h ILE 22 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3lul h ILE 22 Cb 0.24 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 3lul h ILE 22 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 3lul n PHE 23 N -4.04 0.00 0.95 2.19 3.72 -0.93 -1.66 117.46 117.69 3lul n PHE 23 Ca 0.06 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.57 3lul n PHE 23 Cb 0.50 -0.39 0.09 0.00 -0.94 0.00 0.00 39.48 38.73 3lul n PHE 23 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3lul n LEU 24 N -1.39 2.83 0.00 4.37 4.77 -0.08 -4.96 117.00 122.54 3lul n LEU 24 Ca 0.07 -0.98 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 3lul n LEU 24 Cb 0.18 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3lul n LEU 24 CO 0.15 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3lul n GLY 25 N 1.29 0.74 3.46 -0.72 0.00 -0.66 -5.01 105.19 104.28 3lul n GLY 25 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 3lul n GLY 25 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3lul n GLU 26 N -2.04 3.32 -3.53 1.61 2.13 -0.92 -4.61 120.64 116.61 3lul n GLU 26 Ca 0.00 -3.63 -0.18 0.00 0.66 0.00 0.00 57.16 54.01 3lul n GLU 26 Cb 0.00 -3.19 -0.06 0.00 0.27 0.00 0.00 31.44 28.46 3lul n GLU 26 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3lul s GLY 27 N 3.18 -0.57 0.14 8.31 0.00 -1.26 -1.23 107.32 115.89 3lul s GLY 27 Ca 0.46 1.32 0.07 0.00 0.00 0.00 0.00 44.72 46.57 3lul s GLY 27 CO 0.03 0.96 -0.15 1.08 0.00 0.00 0.00 173.10 175.02 3lul s LEU 28 N -1.16 2.44 0.11 0.66 1.43 0.34 -1.58 118.68 120.91 3lul s LEU 28 Ca -0.11 -0.86 -0.03 0.00 -1.03 0.00 0.00 54.13 52.11 3lul s LEU 28 Cb -0.00 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.55 3lul s LEU 28 CO 0.10 -0.13 0.07 0.72 0.23 0.00 0.00 176.35 177.34 3lul s PHE 29 N -2.26 0.64 -0.01 0.29 -0.71 -1.26 -0.49 117.98 114.17 3lul s PHE 29 Ca 0.13 -1.07 0.01 0.00 -1.04 0.00 0.00 56.93 54.96 3lul s PHE 29 Cb -0.04 -0.36 0.00 0.00 -1.21 0.00 0.00 43.02 41.41 3lul s PHE 29 CO 0.04 -0.50 -0.04 -1.21 -1.34 0.00 0.00 175.22 172.17 3lul s GLU 30 N -3.98 0.43 -0.23 1.99 0.41 -0.41 -4.81 118.70 112.10 3lul s GLU 30 Ca 0.16 -0.14 -0.02 0.00 -0.41 0.00 0.00 54.97 54.57 3lul s GLU 30 Cb 0.07 -0.44 0.02 0.00 -1.78 0.00 0.00 34.13 31.99 3lul s GLU 30 CO -0.03 0.06 -0.08 0.95 -0.49 0.00 0.00 175.26 175.67 3lul s THR 31 N 0.13 2.88 -0.15 3.63 -4.23 -1.26 -0.67 115.64 115.98 3lul s THR 31 Ca -0.01 -0.88 0.01 0.00 -1.18 0.00 0.00 61.69 59.62 3lul s THR 31 Cb -0.05 -2.40 -0.00 0.00 1.34 0.00 0.00 72.50 71.39 3lul s THR 31 CO -0.00 0.30 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.59 3lul s ILE 32 N 1.36 2.67 0.25 2.99 1.01 0.68 -4.74 121.20 125.41 3lul s ILE 32 Ca 0.02 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 3lul s ILE 32 Cb -0.16 -2.12 -0.09 0.00 0.01 0.00 0.00 42.46 40.11 3lul s ILE 32 CO -0.05 0.52 1.15 -0.60 0.00 0.00 0.00 174.94 175.95 3lul s ARG 33 N 0.71 4.57 -0.18 2.79 3.52 -1.26 -0.65 118.95 128.45 3lul s ARG 33 Ca -0.07 1.85 -0.01 0.00 -0.13 0.00 0.00 55.73 57.37 3lul s ARG 33 Cb -0.16 -3.20 -0.00 0.00 -1.56 0.00 0.00 34.95 30.03 3lul s ARG 33 CO 0.02 0.08 -0.11 0.08 -0.81 0.00 0.00 175.30 174.55 3lul s VAL 34 N -0.75 2.92 -0.13 7.11 1.01 0.82 -0.80 120.40 130.58 3lul s VAL 34 Ca 0.48 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3lul s VAL 34 Cb -0.33 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3lul s VAL 34 CO 0.40 0.49 -0.17 0.20 0.00 0.00 0.00 175.10 176.01 3lul s ASN 35 N 1.06 2.70 -1.51 3.32 0.01 -0.31 -0.95 114.94 119.26 3lul s ASN 35 Ca -0.00 -0.50 -0.11 0.00 -0.71 0.00 0.00 52.86 51.54 3lul s ASN 35 Cb -0.15 -1.23 0.08 0.00 0.41 0.00 0.00 41.25 40.36 3lul s ASN 35 CO -0.02 0.03 0.85 -1.20 -1.51 0.00 0.00 177.10 175.24 3lul n SER 36 N 4.25 -3.52 -0.15 -1.22 7.64 -0.83 -1.18 113.62 118.61 3lul n SER 36 Ca -0.19 -0.85 -0.02 0.00 1.01 0.00 0.00 58.87 58.82 3lul n SER 36 Cb 0.51 -3.65 -0.01 0.00 -1.01 0.00 0.00 64.21 60.05 3lul n SER 36 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3lul n SER 37 N -2.86 -4.32 -4.31 6.43 7.64 0.34 -5.01 113.62 111.54 3lul n SER 37 Ca -0.04 0.05 -0.33 0.00 1.01 0.00 0.00 58.87 59.56 3lul n SER 37 Cb 0.56 -1.99 -0.15 0.00 -1.01 0.00 0.00 64.21 61.62 3lul n SER 37 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3lul s LYS 38 N -1.29 3.22 0.05 1.43 1.02 -0.32 -4.93 119.74 118.92 3lul s LYS 38 Ca 0.00 -0.77 -0.31 0.00 0.02 0.00 0.00 55.97 54.92 3lul s LYS 38 Cb 0.00 -2.49 -0.07 0.00 -0.52 0.00 0.00 37.83 34.76 3lul s LYS 38 CO 0.00 0.21 1.43 -1.25 -0.92 0.00 0.00 175.35 174.82 3lul s PRO 39 N 0.32 4.29 -0.09 -1.68 0.04 -1.26 -1.16 135.00 135.46 3lul s PRO 39 Ca -0.14 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.66 3lul s PRO 39 Cb -0.17 -3.45 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 3lul s PRO 39 CO 0.07 -0.54 0.98 0.45 0.04 0.00 0.00 177.00 178.00 3lul s SER 40 N 1.64 7.24 -1.45 6.66 0.15 0.02 -4.04 113.70 123.92 3lul s SER 40 Ca 0.65 1.52 -0.11 0.00 0.70 0.00 0.00 55.95 58.72 3lul s SER 40 Cb -0.35 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.46 3lul s SER 40 CO 0.29 -0.40 1.00 0.49 1.20 0.00 0.00 173.24 175.81 3lul n PHE 41 N 4.81 -2.49 -0.32 3.44 3.72 -0.56 -4.53 117.46 121.53 3lul n PHE 41 Ca 0.08 0.89 0.14 0.00 -0.05 0.00 0.00 57.45 58.50 3lul n PHE 41 Cb 0.49 -4.42 0.37 0.00 -0.94 0.00 0.00 39.48 34.98 3lul n PHE 41 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3lul h ALA 42 N 0.99 1.83 0.00 4.37 0.00 -1.84 -2.38 119.26 122.24 3lul h ALA 42 Ca -0.56 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3lul h ALA 42 Cb 1.37 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3lul h ALA 42 CO 0.61 -0.16 0.00 0.98 0.00 0.00 0.00 179.25 180.68 3lul n TYR 43 N -4.66 0.00 0.00 0.00 4.19 -1.26 -1.54 117.16 113.89 3lul n TYR 43 Ca 0.21 -0.03 0.00 0.00 3.31 0.00 0.00 57.90 61.40 3lul n TYR 43 Cb 0.58 -0.05 0.00 0.00 0.49 0.00 0.00 39.34 40.36 3lul n TYR 43 CO 0.00 0.00 0.00 0.72 0.91 0.00 0.00 176.86 178.49 3lul n HIS 45 N 0.56 0.00 -0.26 2.98 8.25 -0.90 -0.61 115.22 125.25 3lul n HIS 45 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 3lul n HIS 45 Cb 0.06 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.23 3lul n HIS 45 CO 0.00 0.00 0.00 2.35 0.64 0.00 0.00 176.34 179.33 3lul h TRP 46 N 0.00 0.88 -0.03 4.41 7.01 -1.55 -1.50 115.95 125.17 3lul h TRP 46 Ca 0.00 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 3lul h TRP 46 Cb 0.00 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 26.76 3lul h TRP 46 CO 0.00 0.54 0.02 1.49 -2.79 0.00 0.00 178.44 177.70 3lul h GLU 47 N 0.94 0.04 -0.36 2.65 4.81 -1.13 -0.83 114.58 120.71 3lul h GLU 47 Ca 0.27 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 3lul h GLU 47 Cb -0.08 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3lul h GLU 47 CO -0.07 0.11 0.08 -0.09 -0.73 0.00 0.00 179.01 178.31 3lul h ARG 48 N -0.03 0.58 -0.67 1.92 2.43 -1.79 -0.55 114.38 116.26 3lul h ARG 48 Ca 0.01 -0.14 0.02 0.00 -0.81 0.00 0.00 59.98 59.05 3lul h ARG 48 Cb 0.08 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.52 3lul h ARG 48 CO -0.00 0.63 0.44 1.25 -1.51 0.00 0.00 179.97 180.77 3lul h LEU 49 N 0.43 0.74 -0.51 3.80 5.85 -1.19 -1.35 115.31 123.07 3lul h LEU 49 Ca 0.11 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 3lul h LEU 49 Cb 0.32 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 3lul h LEU 49 CO 0.00 0.53 -0.12 1.23 -0.34 0.00 0.00 178.44 179.74 3lul h GLY 50 N 0.88 1.07 1.00 3.75 0.00 -0.96 -0.27 103.07 108.53 3lul h GLY 50 Ca 0.26 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3lul h GLY 50 CO -0.08 0.80 0.30 3.43 0.00 0.00 0.00 176.54 180.99 3lul h ASN 51 N 0.85 0.54 -0.56 0.19 2.35 -0.74 -0.68 115.58 117.52 3lul h ASN 51 Ca 0.13 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3lul h ASN 51 Cb 0.68 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 3lul h ASN 51 CO 0.05 0.40 0.19 0.28 -1.65 0.00 0.00 177.43 176.70 3lul h SER 52 N 0.62 0.81 -0.22 5.81 0.02 -1.15 -2.16 113.55 117.28 3lul h SER 52 Ca 0.17 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3lul h SER 52 Cb -0.05 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3lul h SER 52 CO -0.04 0.79 0.11 0.00 -1.14 0.00 0.00 176.83 176.56 3lul h ALA 53 N 1.05 0.26 -0.68 3.77 0.00 -0.81 -2.32 119.26 120.53 3lul h ALA 53 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3lul h ALA 53 Cb 0.26 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 3lul h ALA 53 CO -0.01 -0.30 0.34 -0.09 0.00 0.00 0.00 179.25 179.20 3lul h ARG 54 N 0.24 0.58 -0.35 0.00 2.43 -1.04 -0.00 114.38 116.23 3lul h ARG 54 Ca 0.09 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3lul h ARG 54 Cb 0.01 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3lul h ARG 54 CO -0.06 0.39 0.01 0.37 -1.51 0.00 0.00 179.97 179.18 3lul h GLN 55 N 0.60 0.54 -0.01 0.20 4.15 -1.02 -2.26 115.11 117.31 3lul h GLN 55 Ca 0.32 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.63 3lul h GLN 55 Cb 0.30 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.91 3lul h GLN 55 CO -0.24 0.56 -0.06 1.28 -1.93 0.00 0.00 178.83 178.43 3lul n LEU 56 N -4.29 1.44 -0.38 -2.39 4.77 -0.81 -4.95 117.00 110.39 3lul n LEU 56 Ca 0.02 -0.46 -0.05 0.00 -0.03 0.00 0.00 56.01 55.49 3lul n LEU 56 Cb 0.24 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 3lul n LEU 56 CO 0.39 0.25 -0.05 0.61 -1.33 0.00 0.00 177.39 177.26 3lul n GLY 57 N 1.22 0.73 3.66 -0.72 0.00 -0.31 -5.00 105.19 104.78 3lul n GLY 57 Ca 0.17 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3lul n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lul s ILE 58 N -2.03 4.97 0.40 -0.61 1.01 -0.17 -4.97 121.20 119.80 3lul s ILE 58 Ca 0.00 1.35 -0.26 0.00 0.00 0.00 0.00 60.65 61.74 3lul s ILE 58 Cb 0.00 -4.02 -0.10 0.00 0.01 0.00 0.00 42.46 38.35 3lul s ILE 58 CO 0.00 0.08 1.27 -2.65 0.00 0.00 0.00 174.94 173.64 3lul n PRO 59 N 5.13 1.98 -3.23 2.79 -0.02 -1.26 -4.15 135.00 136.24 3lul n PRO 59 Ca 0.01 0.70 -0.24 0.00 -2.02 0.00 0.00 63.50 61.94 3lul n PRO 59 Cb 0.49 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 3lul n PRO 59 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3lul n PHE 60 N -0.05 -0.21 -2.89 6.00 7.35 -1.26 -4.66 117.46 121.73 3lul n PHE 60 Ca 0.06 -3.57 -0.42 0.00 -0.76 0.00 0.00 57.45 52.76 3lul n PHE 60 Cb 0.39 -0.29 0.01 0.00 0.35 0.00 0.00 39.48 39.93 3lul n PHE 60 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3lul n GLU 61 N 1.54 4.78 -4.12 -4.13 -0.58 -1.26 -4.88 120.64 111.99 3lul n GLU 61 Ca 0.22 -4.59 -0.23 0.00 -0.42 0.00 0.00 57.16 52.15 3lul n GLU 61 Cb 0.52 -2.50 -0.17 0.00 -0.57 0.00 0.00 31.44 28.72 3lul n GLU 61 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 3lul s ILE 62 N -3.26 0.70 0.75 -3.67 2.07 -1.26 -4.61 121.20 111.92 3lul s ILE 62 Ca 0.33 -0.17 -0.11 0.00 -1.41 0.00 0.00 60.65 59.30 3lul s ILE 62 Cb 0.09 -0.73 0.04 0.00 0.13 0.00 0.00 42.46 42.00 3lul s ILE 62 CO 0.04 0.28 1.08 -0.94 -1.91 0.00 0.00 174.94 173.49 3lul s SER 63 N 1.20 4.80 0.19 4.50 1.04 -1.26 -4.82 113.70 119.35 3lul s SER 63 Ca -0.06 1.72 -0.12 0.00 0.48 0.00 0.00 55.95 57.97 3lul s SER 63 Cb -0.14 -2.49 0.15 0.00 0.10 0.00 0.00 66.02 63.64 3lul s SER 63 CO -0.02 -1.83 1.81 0.15 0.98 0.00 0.00 173.24 174.34 3lul h PHE 64 N -0.99 0.63 -0.72 5.02 3.57 -2.00 -0.75 116.94 121.69 3lul h PHE 64 Ca -0.44 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.10 3lul h PHE 64 Cb 1.23 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 3lul h PHE 64 CO 0.59 0.34 0.47 -0.44 -2.23 0.00 0.00 178.31 177.04 3lul h ASP 65 N 0.66 0.80 -0.56 0.41 3.32 -1.99 0.12 116.42 119.17 3lul h ASP 65 Ca 0.24 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.16 3lul h ASP 65 Cb 0.07 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3lul h ASP 65 CO -0.12 0.56 -0.10 0.44 -1.72 0.00 0.00 179.24 178.30 3lul h ASP 66 N 0.94 1.05 0.05 6.45 3.32 -1.86 -0.63 116.42 125.74 3lul h ASP 66 Ca 0.28 -0.35 0.02 0.00 0.02 0.00 0.00 57.03 57.00 3lul h ASP 66 Cb -0.05 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.18 3lul h ASP 66 CO -0.08 1.15 -0.19 -0.25 -1.72 0.00 0.00 179.24 178.15 3lul h TRP 67 N 0.94 -0.49 -0.42 4.55 2.91 -0.73 0.55 115.95 123.25 3lul h TRP 67 Ca 0.15 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.19 3lul h TRP 67 Cb 0.67 0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 29.51 3lul h TRP 67 CO 0.05 -0.27 0.27 0.35 -1.03 0.00 0.00 178.44 177.81 3lul h PHE 68 N -0.33 0.52 -0.73 2.65 3.57 -0.64 -1.61 116.94 120.36 3lul h PHE 68 Ca 0.04 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 3lul h PHE 68 Cb 0.38 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3lul h PHE 68 CO -0.21 0.32 0.40 0.93 -2.23 0.00 0.00 178.31 177.52 3lul h GLU 69 N 0.56 1.00 -0.82 1.11 4.39 -0.82 -0.64 114.58 119.35 3lul h GLU 69 Ca 0.16 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 3lul h GLU 69 Cb -0.05 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.36 3lul h GLU 69 CO -0.05 0.73 0.47 0.45 -1.16 0.00 0.00 179.01 179.45 3lul h HIS 70 N 1.01 1.11 -0.38 4.33 3.86 -0.37 -0.51 115.15 124.21 3lul h HIS 70 Ca 0.26 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 3lul h HIS 70 Cb 0.01 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.11 3lul h HIS 70 CO 0.01 0.76 0.17 -0.07 0.86 0.00 0.00 177.93 179.66 3lul h LEU 71 N 1.14 0.51 -0.69 2.43 3.38 -0.41 -2.11 115.31 119.56 3lul h LEU 71 Ca 0.29 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3lul h LEU 71 Cb 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3lul h LEU 71 CO -0.05 0.51 0.24 0.40 0.09 0.00 0.00 178.44 179.63 3lul h ILE 72 N 0.47 1.25 -0.14 1.22 1.08 -0.93 -1.40 117.51 119.07 3lul h ILE 72 Ca 0.13 -0.83 -0.09 0.00 -0.39 0.00 0.00 64.86 63.67 3lul h ILE 72 Cb 0.15 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 3lul h ILE 72 CO -0.01 0.33 -0.33 1.56 -0.69 0.00 0.00 178.15 179.00 3lul h GLN 73 N 1.00 0.27 -0.15 2.37 1.08 -0.91 -0.54 115.11 118.23 3lul h GLN 73 Ca 0.23 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.27 3lul h GLN 73 Cb 0.26 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 3lul h GLN 73 CO -0.01 0.58 -0.06 0.87 -0.95 0.00 0.00 178.83 179.26 3lul h LYS 74 N 0.24 0.31 -0.24 1.46 1.79 -1.05 -1.19 116.57 117.88 3lul h LYS 74 Ca 0.03 -0.13 0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3lul h LYS 74 Cb 0.71 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.32 3lul h LYS 74 CO 0.05 0.62 0.07 0.82 -1.08 0.00 0.00 179.45 179.93 3lul h ILE 75 N -0.01 0.92 -0.34 1.86 2.04 -0.99 -0.69 117.51 120.29 3lul h ILE 75 Ca 0.03 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 3lul h ILE 75 Cb 0.53 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3lul h ILE 75 CO 0.02 0.03 0.17 1.56 0.00 0.00 0.00 178.15 179.93 3lul h GLN 76 N 0.17 0.48 -0.60 2.37 4.20 -1.15 -0.13 115.11 120.45 3lul h GLN 76 Ca 0.11 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 3lul h GLN 76 Cb 0.09 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 3lul h GLN 76 CO -0.13 0.43 0.06 -0.22 -0.67 0.00 0.00 178.83 178.30 3lul h LYS 77 N 0.41 1.02 -0.25 1.46 3.64 -1.04 -2.77 116.57 119.05 3lul h LYS 77 Ca 0.12 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3lul h LYS 77 Cb 0.10 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3lul h LYS 77 CO -0.02 0.98 0.00 -0.25 -2.27 0.00 0.00 179.45 177.90 3lul n ASP 78 N -4.25 1.95 -3.43 4.20 8.00 -0.28 -4.95 116.55 117.78 3lul n ASP 78 Ca 0.03 -1.81 -0.25 0.00 0.71 0.00 0.00 54.79 53.47 3lul n ASP 78 Cb 0.31 -0.16 0.04 0.00 -0.02 0.00 0.00 41.12 41.29 3lul n ASP 78 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3lul n ASN 79 N 0.52 -5.54 -4.74 -2.24 3.02 -0.26 -4.95 115.26 101.06 3lul n ASN 79 Ca 0.16 -0.48 -0.40 0.00 -0.03 0.00 0.00 54.58 53.82 3lul n ASN 79 Cb 0.36 -4.44 -0.05 0.00 -0.61 0.00 0.00 39.78 35.03 3lul n ASN 79 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3lul s LEU 80 N -6.96 4.56 0.00 3.41 2.96 -0.22 -4.96 118.68 117.46 3lul s LEU 80 Ca 0.48 1.83 0.00 0.00 -0.22 0.00 0.00 54.13 56.22 3lul s LEU 80 Cb -0.23 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.90 3lul s LEU 80 CO 0.59 0.05 0.00 0.00 -1.32 0.00 0.00 176.35 175.67 3lul n TYR 81 N 2.19 0.00 -4.00 5.38 9.36 -1.26 -4.25 117.16 124.58 3lul n TYR 81 Ca -0.00 0.00 -0.36 0.00 3.32 0.00 0.00 57.90 60.86 3lul n TYR 81 Cb 0.48 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 39.13 3lul n TYR 81 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 3lul s HIS 82 N -0.71 3.49 -4.53 2.98 3.76 -1.26 -0.50 115.29 118.51 3lul s HIS 82 Ca 0.00 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 3lul s HIS 82 Cb 0.00 -1.89 0.00 0.00 1.11 0.00 0.00 32.58 31.80 3lul s HIS 82 CO 0.00 0.67 0.00 0.41 -0.85 0.00 0.00 174.74 174.97 3lul n GLY 83 N 1.93 -0.52 3.15 -2.22 0.00 -0.13 -4.81 105.19 102.59 3lul n GLY 83 Ca -0.19 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 3lul n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3lul s GLY 84 N 0.00 0.71 -0.05 -0.02 0.00 0.04 -0.13 107.32 107.87 3lul s GLY 84 Ca 0.00 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.42 3lul s GLY 84 CO 0.00 -1.42 -0.12 -0.42 0.00 0.00 0.00 173.10 171.14 3lul s ILE 85 N -3.71 1.10 -0.19 0.90 1.01 0.18 -1.08 121.20 119.42 3lul s ILE 85 Ca 0.11 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 3lul s ILE 85 Cb 0.06 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.51 3lul s ILE 85 CO -0.06 0.34 0.00 -0.75 0.00 0.00 0.00 174.94 174.48 3lul s LYS 86 N 0.42 3.68 -0.19 2.79 2.20 0.44 -0.23 119.74 128.85 3lul s LYS 86 Ca -0.09 -0.49 -0.07 0.00 -0.36 0.00 0.00 55.97 54.95 3lul s LYS 86 Cb -0.13 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 3lul s LYS 86 CO 0.03 0.10 0.05 0.00 -0.36 0.00 0.00 175.35 175.16 3lul s ALA 87 N 0.79 3.32 -0.14 3.13 0.00 0.16 -1.45 121.76 127.56 3lul s ALA 87 Ca 0.01 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3lul s ALA 87 Cb -0.14 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.07 3lul s ALA 87 CO 0.02 0.06 -0.20 0.42 0.00 0.00 0.00 175.76 176.06 3lul s ILE 88 N 0.59 2.23 -0.24 0.00 1.01 -0.15 -1.29 121.20 123.36 3lul s ILE 88 Ca 0.03 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 59.71 3lul s ILE 88 Cb -0.13 -1.90 -0.00 0.00 0.01 0.00 0.00 42.46 40.44 3lul s ILE 88 CO 0.01 0.54 -0.02 -0.22 0.00 0.00 0.00 174.94 175.25 3lul s LEU 89 N 0.78 3.09 0.14 2.97 2.96 0.36 -1.18 118.68 127.79 3lul s LEU 89 Ca -0.07 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 3lul s LEU 89 Cb -0.16 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 3lul s LEU 89 CO -0.01 -0.06 0.27 -0.94 -1.32 0.00 0.00 176.35 174.30 3lul s SER 90 N 1.47 6.30 0.53 3.68 1.04 0.05 -0.50 113.70 126.27 3lul s SER 90 Ca 0.05 0.17 0.26 0.00 0.48 0.00 0.00 55.95 56.90 3lul s SER 90 Cb -0.15 -1.89 1.46 0.00 0.10 0.00 0.00 66.02 65.54 3lul s SER 90 CO -0.02 0.07 2.10 1.23 0.98 0.00 0.00 173.24 177.59 3lul h GLY 91 N 2.25 0.00 0.00 7.32 0.00 -1.49 -2.85 103.07 108.31 3lul h GLY 91 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3lul h GLY 91 CO 0.69 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.84 3lul n GLY 92 N -0.90 0.84 3.74 4.60 0.00 -1.26 -4.03 105.19 108.19 3lul n GLY 92 Ca -0.02 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 3lul n GLY 92 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3lul n PRO 93 N 1.14 2.41 -3.57 1.61 -0.02 -1.26 -1.20 135.00 134.11 3lul n PRO 93 Ca 0.00 0.85 -0.10 0.00 -2.02 0.00 0.00 63.50 62.22 3lul n PRO 93 Cb 0.00 -2.54 -0.02 0.00 -0.02 0.00 0.00 33.50 30.92 3lul n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3lul s ALA 94 N -1.12 -1.40 0.81 3.55 0.00 -1.14 -4.35 121.76 118.11 3lul s ALA 94 Ca 0.55 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 3lul s ALA 94 Cb -0.50 0.87 0.08 0.00 0.00 0.00 0.00 23.12 23.56 3lul s ALA 94 CO 0.62 -0.83 1.11 -1.54 0.00 0.00 0.00 175.76 175.12 3lul s SER 95 N -2.81 4.05 0.38 0.00 1.04 -1.26 -4.89 113.70 110.21 3lul s SER 95 Ca 0.04 1.95 -0.27 0.00 0.48 0.00 0.00 55.95 58.15 3lul s SER 95 Cb -0.02 -2.54 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 3lul s SER 95 CO -0.07 -2.34 1.29 -0.60 0.98 0.00 0.00 173.24 172.49 3lul s ARG 96 N -4.79 4.13 0.00 4.02 3.52 -1.26 -4.80 118.95 119.76 3lul s ARG 96 Ca 0.63 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 58.37 3lul s ARG 96 Cb -0.19 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.33 3lul s ARG 96 CO 0.56 -0.36 0.00 0.41 -0.81 0.00 0.00 175.30 175.10 3lul n GLY 97 N 0.72 4.75 0.32 8.12 0.00 -1.26 -4.87 105.19 112.96 3lul n GLY 97 Ca 0.02 -0.82 0.02 0.00 0.00 0.00 0.00 46.02 45.24 3lul n GLY 97 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3lul h LEU 98 N 0.00 0.60 -3.04 0.99 5.85 -2.04 -2.81 115.31 114.85 3lul h LEU 98 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3lul h LEU 98 Cb 0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 3lul h LEU 98 CO 0.00 0.45 0.00 0.00 -0.34 0.00 0.00 178.44 178.55 3lul n ALA 99 N -2.46 2.65 -0.81 1.25 0.00 -1.26 -4.97 120.51 114.91 3lul n ALA 99 Ca 0.04 -1.57 -0.29 0.00 0.00 0.00 0.00 53.44 51.63 3lul n ALA 99 Cb 0.07 -0.70 0.20 0.00 0.00 0.00 0.00 19.45 19.02 3lul n ALA 99 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3lul s GLU 100 N -1.68 0.07 -0.06 0.00 0.41 -1.06 -5.05 118.70 111.33 3lul s GLU 100 Ca 0.38 0.90 0.02 0.00 -0.41 0.00 0.00 54.97 55.86 3lul s GLU 100 Cb 0.24 -1.67 0.02 0.00 -1.78 0.00 0.00 34.13 30.94 3lul s GLU 100 CO 0.18 -3.07 -0.10 0.50 -0.49 0.00 0.00 175.26 172.28 3lul s ARG 101 N -4.68 1.40 -0.08 1.61 6.06 -1.26 -5.05 118.95 116.96 3lul s ARG 101 Ca 0.67 -0.31 -0.30 0.00 -2.50 0.00 0.00 55.73 53.29 3lul s ARG 101 Cb -0.22 -1.21 -0.02 0.00 0.06 0.00 0.00 34.95 33.56 3lul s ARG 101 CO 0.61 -0.01 1.06 0.20 -2.50 0.00 0.00 175.30 174.66 3lul s GLY 102 N 0.74 2.34 0.24 8.12 0.00 -1.26 -4.81 107.32 112.69 3lul s GLY 102 Ca -0.13 0.47 0.04 0.00 0.00 0.00 0.00 44.72 45.10 3lul s GLY 102 CO 0.03 1.98 1.57 1.46 0.00 0.00 0.00 173.10 178.14 3lul h GLN 103 N 7.16 0.26 -4.31 2.90 4.20 -1.81 -3.42 115.11 120.08 3lul h GLN 103 Ca -0.33 -0.17 -0.59 0.00 0.06 0.00 0.00 58.65 57.62 3lul h GLN 103 Cb 1.16 0.02 -0.38 0.00 0.30 0.00 0.00 27.48 28.58 3lul h GLN 103 CO 0.85 0.77 -0.79 0.08 -0.67 0.00 0.00 178.83 179.07 3lul s VAL 104 N -3.81 1.39 0.64 -0.54 1.01 -1.26 -4.67 120.40 113.16 3lul s VAL 104 Ca -0.04 -0.97 -0.12 0.00 0.00 0.00 0.00 61.98 60.84 3lul s VAL 104 Cb 0.12 -1.60 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 3lul s VAL 104 CO 0.80 0.02 1.05 -0.94 0.00 0.00 0.00 175.10 176.02 3lul s SER 105 N 1.49 5.77 -0.03 3.32 1.04 -0.20 -4.24 113.70 120.84 3lul s SER 105 Ca -0.03 1.61 0.05 0.00 0.48 0.00 0.00 55.95 58.06 3lul s SER 105 Cb -0.17 -2.50 -0.01 0.00 0.10 0.00 0.00 66.02 63.44 3lul s SER 105 CO -0.07 -1.18 -0.17 -1.10 0.98 0.00 0.00 173.24 171.69 3lul s GLN 106 N -4.77 1.67 -0.08 4.02 -1.52 -1.07 -0.65 119.66 117.25 3lul s GLN 106 Ca 0.59 -0.62 0.04 0.00 -1.95 0.00 0.00 55.36 53.42 3lul s GLN 106 Cb -0.13 -1.50 -0.00 0.00 -0.22 0.00 0.00 33.01 31.16 3lul s GLN 106 CO 0.49 0.29 -0.22 -1.17 -0.25 0.00 0.00 175.29 174.43 3lul s LEU 107 N -0.11 2.00 -0.05 2.90 2.96 -0.05 -0.77 118.68 125.57 3lul s LEU 107 Ca -0.00 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 3lul s LEU 107 Cb -0.10 -1.28 -0.01 0.00 0.50 0.00 0.00 46.19 45.31 3lul s LEU 107 CO 0.01 0.16 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.37 3lul s ILE 108 N 0.24 1.66 -0.09 6.68 1.01 -0.33 -1.02 121.20 129.36 3lul s ILE 108 Ca -0.13 -0.85 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3lul s ILE 108 Cb -0.16 -1.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.87 3lul s ILE 108 CO 0.06 0.47 -0.09 -0.36 0.00 0.00 0.00 174.94 175.03 3lul s PHE 109 N -0.07 2.89 -0.02 3.97 0.08 -1.26 -0.97 117.98 122.60 3lul s PHE 109 Ca -0.03 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 56.85 3lul s PHE 109 Cb -0.12 -1.76 0.01 0.00 -0.57 0.00 0.00 43.02 40.58 3lul s PHE 109 CO 0.02 0.15 -0.02 -0.65 -0.10 0.00 0.00 175.22 174.62 3lul s GLN 110 N -0.39 0.34 0.32 0.44 -1.52 -0.53 -4.99 119.66 113.32 3lul s GLN 110 Ca 0.05 -0.06 0.02 0.00 -1.95 0.00 0.00 55.36 53.43 3lul s GLN 110 Cb -0.12 -0.40 -0.03 0.00 -0.22 0.00 0.00 33.01 32.24 3lul s GLN 110 CO 0.02 -0.01 0.49 0.95 -0.25 0.00 0.00 175.29 176.49 3lul s THR 111 N 0.38 5.01 0.12 -0.19 -4.23 -1.26 -0.42 115.64 115.05 3lul s THR 111 Ca -0.04 -0.68 -0.22 0.00 -1.18 0.00 0.00 61.69 59.57 3lul s THR 111 Cb -0.07 -3.80 0.06 0.00 1.34 0.00 0.00 72.50 70.03 3lul s THR 111 CO -0.01 -0.44 0.56 0.72 -0.54 0.00 0.00 174.62 174.91 3lul s PHE 112 N -2.21 -0.47 -0.02 3.99 -0.71 -0.24 -4.95 117.98 113.38 3lul s PHE 112 Ca 0.39 0.33 0.02 0.00 -1.04 0.00 0.00 56.93 56.62 3lul s PHE 112 Cb -0.09 0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 42.14 3lul s PHE 112 CO 0.33 -0.77 -0.03 -0.80 -1.34 0.00 0.00 175.22 172.62 3lul s ASN 113 N -2.51 4.94 0.09 1.98 -0.87 -1.26 -0.78 114.94 116.53 3lul s ASN 113 Ca -0.01 -0.03 -0.20 0.00 -1.57 0.00 0.00 52.86 51.05 3lul s ASN 113 Cb -0.00 -1.26 0.05 0.00 -0.02 0.00 0.00 41.25 40.02 3lul s ASN 113 CO -0.09 0.30 0.50 -0.72 -2.57 0.00 0.00 177.10 174.51 3lul s TYR 114 N -1.01 -0.37 -0.11 2.20 1.13 -1.26 -4.97 117.35 112.96 3lul s TYR 114 Ca 0.17 0.26 -0.13 0.00 -1.41 0.00 0.00 57.07 55.96 3lul s TYR 114 Cb -0.11 0.36 -0.05 0.00 -1.10 0.00 0.00 41.96 41.06 3lul s TYR 114 CO 0.08 -0.70 0.29 -1.12 -2.51 0.00 0.00 175.55 171.59 3lul s SER 115 N -2.38 6.52 -0.06 -0.18 0.01 -1.26 -4.88 113.70 111.47 3lul s SER 115 Ca -0.01 0.62 -0.30 0.00 1.31 0.00 0.00 55.95 57.57 3lul s SER 115 Cb 0.00 -2.18 -0.04 0.00 0.21 0.00 0.00 66.02 64.01 3lul s SER 115 CO -0.07 0.22 1.43 -0.63 0.41 0.00 0.00 173.24 174.60 3lul s ILE 116 N -0.22 3.84 -0.18 1.44 1.01 -1.26 -4.99 121.20 120.84 3lul s ILE 116 Ca 0.18 1.11 -0.27 0.00 0.00 0.00 0.00 60.65 61.68 3lul s ILE 116 Cb -0.14 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.61 3lul s ILE 116 CO 0.06 -0.05 0.90 -1.10 0.00 0.00 0.00 174.94 174.75 3lul s GLN 117 N 3.15 4.30 -0.00 2.79 -0.21 -1.26 -4.96 119.66 123.46 3lul s GLN 117 Ca 0.64 1.13 0.12 0.00 0.02 0.00 0.00 55.36 57.27 3lul s GLN 117 Cb -0.29 -3.59 -0.14 0.00 1.00 0.00 0.00 33.01 29.98 3lul s GLN 117 CO 0.24 -0.41 0.43 0.36 -2.12 0.00 0.00 175.29 173.80 3lul n LYS 118 N 5.50 2.35 -1.77 2.91 2.85 -1.26 -4.97 118.16 123.77 3lul n LYS 118 Ca 0.07 -0.03 -0.41 0.00 -1.05 0.00 0.00 58.31 56.88 3lul n LYS 118 Cb 0.48 -1.12 -0.01 0.00 -0.65 0.00 0.00 35.03 33.73 3lul n LYS 118 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3lul s HIS 119 N -2.31 2.69 0.56 5.58 3.76 -1.26 -4.90 115.29 119.40 3lul s HIS 119 Ca 0.02 0.89 -0.19 0.00 -0.15 0.00 0.00 55.06 55.63 3lul s HIS 119 Cb 0.09 -4.07 -0.05 0.00 1.11 0.00 0.00 32.58 29.66 3lul s HIS 119 CO 0.49 -3.46 1.15 -2.14 -0.85 0.00 0.00 174.74 169.94 3lul s PRO 120 N -0.99 3.21 0.14 8.40 0.02 -1.26 -4.82 135.00 139.70 3lul s PRO 120 Ca 0.60 1.68 -0.15 0.00 0.02 0.00 0.00 61.00 63.15 3lul s PRO 120 Cb -0.48 -1.98 -0.07 0.00 0.02 0.00 0.00 34.50 32.00 3lul s PRO 120 CO 0.53 -0.98 0.56 0.54 -0.33 0.00 0.00 177.00 177.32 3lul s VAL 121 N -1.73 4.83 -0.21 3.83 0.11 0.34 -4.64 120.40 122.93 3lul s VAL 121 Ca 0.74 0.90 -0.09 0.00 -2.93 0.00 0.00 61.98 60.61 3lul s VAL 121 Cb -0.26 -3.76 -0.04 0.00 -1.53 0.00 0.00 36.38 30.79 3lul s VAL 121 CO 0.29 0.29 0.10 -0.13 -3.33 0.00 0.00 175.10 172.33 3lul s ARG 122 N -1.82 3.97 0.10 1.54 0.52 -1.26 -0.40 118.95 121.60 3lul s ARG 122 Ca 0.36 -0.33 0.07 0.00 -0.52 0.00 0.00 55.73 55.31 3lul s ARG 122 Cb -0.16 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 3lul s ARG 122 CO 0.19 0.12 -0.09 -0.51 0.02 0.00 0.00 175.30 175.03 3lul s LEU 123 N 0.82 3.09 0.10 2.53 1.43 0.11 0.08 118.68 126.85 3lul s LEU 123 Ca 0.05 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 52.88 3lul s LEU 123 Cb -0.13 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3lul s LEU 123 CO 0.02 0.18 -0.22 0.27 0.23 0.00 0.00 176.35 176.83 3lul s ILE 124 N -1.23 1.80 0.08 -0.59 -4.36 -0.95 -0.77 121.20 115.19 3lul s ILE 124 Ca 0.22 -1.53 -0.25 0.00 -0.26 0.00 0.00 60.65 58.83 3lul s ILE 124 Cb -0.11 -1.62 -0.06 0.00 1.25 0.00 0.00 42.46 41.92 3lul s ILE 124 CO 0.14 0.00 0.75 -0.44 0.24 0.00 0.00 174.94 175.64 3lul s SER 125 N -1.83 7.25 0.22 4.36 0.01 -1.26 -0.99 113.70 121.45 3lul s SER 125 Ca 0.08 1.49 -0.21 0.00 1.31 0.00 0.00 55.95 58.61 3lul s SER 125 Cb -0.10 -2.47 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 3lul s SER 125 CO 0.04 0.09 0.75 -0.63 0.41 0.00 0.00 173.24 173.89 3lul s ILE 126 N -0.43 4.51 0.06 1.44 -1.09 -0.22 -4.90 121.20 120.58 3lul s ILE 126 Ca 0.37 1.39 -0.01 0.00 -2.23 0.00 0.00 60.65 60.17 3lul s ILE 126 Cb -0.21 -3.92 -0.27 0.00 -1.58 0.00 0.00 42.46 36.48 3lul s ILE 126 CO 0.23 0.27 1.09 -0.55 -1.23 0.00 0.00 174.94 174.75 3lul h ASN 127 N 3.58 0.33 -3.98 3.58 -1.07 -1.97 -3.43 115.58 112.62 3lul h ASN 127 Ca -0.48 -0.38 -0.47 0.00 0.07 0.00 0.00 56.30 55.05 3lul h ASN 127 Cb 1.20 -0.11 0.00 0.00 -2.07 0.00 0.00 38.32 37.34 3lul h ASN 127 CO 0.65 1.30 0.38 -1.66 0.07 0.00 0.00 177.43 178.17 3lul s TRP 128 N -2.65 3.36 0.18 4.14 -2.14 -1.26 -5.06 118.94 115.51 3lul s TRP 128 Ca -0.04 1.67 0.06 0.00 2.66 0.00 0.00 56.10 60.45 3lul s TRP 128 Cb 0.08 -3.00 -0.04 0.00 -3.10 0.00 0.00 33.47 27.40 3lul s TRP 128 CO 0.86 -0.31 0.10 -0.51 -2.66 0.00 0.00 176.95 174.43 3lul s LEU 129 N -2.70 3.63 -0.10 -4.66 1.43 -1.26 -4.62 118.68 110.40 3lul s LEU 129 Ca 0.58 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 3lul s LEU 129 Cb -0.18 -2.24 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 3lul s LEU 129 CO 0.22 0.06 -0.04 -0.13 0.23 0.00 0.00 176.35 176.69 3lul s ARG 130 N -3.18 3.09 -0.12 1.70 0.52 -0.60 -4.83 118.95 115.54 3lul s ARG 130 Ca 0.30 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.71 3lul s ARG 130 Cb -0.09 -2.74 -0.02 0.00 0.52 0.00 0.00 34.95 32.62 3lul s ARG 130 CO 0.22 0.54 1.19 0.34 0.02 0.00 0.00 175.30 177.61 3lul s ASP 131 N -0.47 7.04 0.55 0.23 -1.08 -1.26 -0.84 116.67 120.84 3lul s ASP 131 Ca 0.07 1.70 0.36 0.00 -0.52 0.00 0.00 52.55 54.16 3lul s ASP 131 Cb -0.12 -2.55 1.95 0.00 -1.46 0.00 0.00 42.92 40.74 3lul s ASP 131 CO 0.02 -0.64 2.09 0.07 0.52 0.00 0.00 175.17 177.23 3lul h LYS 132 N 7.69 0.00 -0.00 4.34 2.10 -1.92 -1.19 116.57 127.59 3lul h LYS 132 Ca -0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 3lul h LYS 132 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 3lul h LYS 132 CO 0.92 0.00 -0.10 0.00 -2.00 0.00 0.00 179.45 178.27 3lul n ALA 133 N -1.96 2.71 -2.59 0.07 0.00 -1.26 -4.51 120.51 112.97 3lul n ALA 133 Ca -0.02 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 3lul n ALA 133 Cb 0.09 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 3lul n ALA 133 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3lul s ASN 134 N -2.60 6.85 0.46 0.00 3.84 -0.45 -4.91 114.94 118.13 3lul s ASN 134 Ca 0.26 1.02 0.32 0.00 0.21 0.00 0.00 52.86 54.66 3lul s ASN 134 Cb 0.20 -2.54 1.46 0.00 -0.55 0.00 0.00 41.25 39.81 3lul s ASN 134 CO 0.50 -0.96 1.95 1.55 -2.79 0.00 0.00 177.10 177.34 3lul h PRO 135 N 8.45 0.00 -0.72 0.43 0.13 -1.88 -2.88 132.00 135.53 3lul h PRO 135 Ca -0.22 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.05 3lul h PRO 135 Cb 1.07 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 3lul h PRO 135 CO 1.04 0.00 0.48 -0.07 -0.23 0.00 0.00 178.00 179.22 3lul h LEU 136 N 0.00 0.39 -0.06 1.56 -0.00 -1.94 -2.63 115.31 112.63 3lul h LEU 136 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 3lul h LEU 136 Cb 0.29 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 3lul h LEU 136 CO 0.00 0.21 -0.02 -1.22 -0.00 0.00 0.00 178.44 177.41 3lul n TYR 137 N -4.48 0.00 -0.08 1.13 4.01 -1.09 -2.17 117.16 114.49 3lul n TYR 137 Ca 0.13 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.94 3lul n TYR 137 Cb 0.48 -0.20 0.18 0.00 -0.31 0.00 0.00 39.34 39.48 3lul n TYR 137 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3lul n GLN 138 N -1.14 2.50 0.00 -0.72 6.02 -0.99 -2.44 117.38 120.60 3lul n GLN 138 Ca 0.16 -2.07 0.00 0.00 -0.01 0.00 0.00 57.00 55.09 3lul n GLN 138 Cb 0.22 -1.34 0.00 0.00 1.02 0.00 0.00 30.24 30.15 3lul n GLN 138 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3lul n LEU 139 N 0.83 0.00 0.00 1.08 4.77 -0.92 -4.70 117.00 118.06 3lul n LEU 139 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 3lul n LEU 139 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3lul n LEU 139 CO 0.10 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.62 3lul n SER 141 N 0.00 0.00 0.00 -1.43 3.41 -1.26 -4.99 113.62 109.35 3lul n SER 141 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 3lul n SER 141 Cb 0.00 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 64.57 3lul n SER 141 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3lul n VAL 142 N -1.27 0.05 -1.90 -3.33 0.24 -0.62 -4.44 118.33 107.07 3lul n VAL 142 Ca 0.00 0.01 -0.41 0.00 -2.04 0.00 0.00 64.34 61.91 3lul n VAL 142 Cb 0.00 -0.68 -0.01 0.00 -1.47 0.00 0.00 33.84 31.69 3lul n VAL 142 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3lul n ASN 143 N -1.04 7.23 -1.46 -1.34 3.02 -1.26 -4.67 115.26 115.75 3lul n ASN 143 Ca 0.15 -2.99 0.11 0.00 -0.03 0.00 0.00 54.58 51.82 3lul n ASN 143 Cb 0.09 -1.45 0.34 0.00 -0.61 0.00 0.00 39.78 38.14 3lul n ASN 143 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3lul n TYR 144 N 2.93 1.19 -0.33 3.10 4.02 -1.26 -4.51 117.16 122.29 3lul n TYR 144 Ca 0.60 -0.53 0.06 0.00 -0.01 0.00 0.00 57.90 58.01 3lul n TYR 144 Cb 0.28 -0.10 0.24 0.00 -0.02 0.00 0.00 39.34 39.74 3lul n TYR 144 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3lul h LEU 145 N 4.22 0.91 -0.50 7.72 5.85 -1.98 -0.40 115.31 131.14 3lul h LEU 145 Ca 0.00 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3lul h LEU 145 Cb 1.17 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.98 3lul h LEU 145 CO 0.09 0.54 0.18 -0.08 -0.34 0.00 0.00 178.44 178.84 3lul h GLU 146 N 1.01 0.35 -0.60 1.25 4.81 -2.00 0.10 114.58 119.50 3lul h GLU 146 Ca 0.44 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.61 3lul h GLU 146 Cb 0.34 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3lul h GLU 146 CO -0.19 0.23 0.24 0.00 -0.73 0.00 0.00 179.01 178.56 3lul h ALA 147 N 1.33 0.78 -0.04 2.92 0.00 -1.63 -1.62 119.26 121.00 3lul h ALA 147 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3lul h ALA 147 Cb 0.25 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3lul h ALA 147 CO -0.24 0.40 0.02 0.82 0.00 0.00 0.00 179.25 180.24 3lul h ILE 148 N 0.84 0.99 -0.29 0.00 2.04 -0.40 0.13 117.51 120.81 3lul h ILE 148 Ca 0.20 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.06 3lul h ILE 148 Cb 0.20 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3lul h ILE 148 CO -0.02 0.01 0.18 0.40 0.00 0.00 0.00 178.15 178.72 3lul h ILE 149 N 0.04 1.04 -0.50 -0.67 2.04 -0.71 -0.74 117.51 118.01 3lul h ILE 149 Ca 0.02 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 3lul h ILE 149 Cb 0.01 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3lul h ILE 149 CO -0.02 0.07 0.30 0.00 0.00 0.00 0.00 178.15 178.50 3lul h ALA 150 N 1.12 0.64 -0.55 1.87 0.00 -1.17 -1.42 119.26 119.76 3lul h ALA 150 Ca 0.11 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 3lul h ALA 150 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3lul h ALA 150 CO -0.04 0.12 0.07 0.37 0.00 0.00 0.00 179.25 179.77 3lul h GLN 151 N 0.67 0.92 -0.73 0.00 4.15 -0.73 -1.85 115.11 117.53 3lul h GLN 151 Ca 0.18 -0.25 0.08 0.00 0.77 0.00 0.00 58.65 59.42 3lul h GLN 151 Cb -0.02 -0.10 -0.05 0.00 0.21 0.00 0.00 27.48 27.52 3lul h GLN 151 CO -0.03 0.89 0.48 0.00 -1.93 0.00 0.00 178.83 178.24 3lul h ARG 152 N 0.80 0.68 -0.33 1.69 3.08 -0.89 -0.67 114.38 118.75 3lul h ARG 152 Ca 0.16 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 3lul h ARG 152 Cb 0.43 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3lul h ARG 152 CO 0.01 0.45 -0.14 1.96 -1.07 0.00 0.00 179.97 181.19 3lul h GLN 153 N 0.70 0.68 -0.08 0.04 4.20 -0.73 -0.17 115.11 119.76 3lul h GLN 153 Ca 0.33 -0.29 0.04 0.00 0.06 0.00 0.00 58.65 58.79 3lul h GLN 153 Cb 0.36 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.06 3lul h GLN 153 CO -0.11 0.88 -0.23 0.00 -0.67 0.00 0.00 178.83 178.70 3lul h ALA 154 N 0.78 -0.24 -0.99 3.87 0.00 -1.01 -2.19 119.26 119.49 3lul h ALA 154 Ca 0.08 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3lul h ALA 154 Cb 0.66 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 3lul h ALA 154 CO 0.04 -0.71 0.64 0.82 0.00 0.00 0.00 179.25 180.05 3lul h ILE 155 N -0.32 1.17 -0.13 0.00 2.04 -1.01 0.31 117.51 119.57 3lul h ILE 155 Ca 0.08 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 3lul h ILE 155 Cb 0.44 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3lul h ILE 155 CO -0.26 0.23 -0.01 0.00 0.00 0.00 0.00 178.15 178.11 3lul h ALA 156 N 1.40 1.76 -0.58 1.87 0.00 -0.66 -2.90 119.26 120.15 3lul h ALA 156 Ca 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3lul h ALA 156 Cb 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3lul h ALA 156 CO -0.13 0.19 0.00 1.33 0.00 0.00 0.00 179.25 180.64 3lul n VAL 157 N -4.42 2.39 -0.43 0.00 0.24 -0.86 -4.94 118.33 110.31 3lul n VAL 157 Ca -0.01 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 3lul n VAL 157 Cb 0.16 -0.12 0.00 0.00 -1.47 0.00 0.00 33.84 32.41 3lul n VAL 157 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3lul n GLY 158 N 0.74 0.71 3.51 7.63 0.00 -1.09 -5.07 105.19 111.62 3lul n GLY 158 Ca 0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 3lul n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lul n ALA 159 N -0.72 0.84 -0.07 4.61 0.00 0.06 -4.99 120.51 120.25 3lul n ALA 159 Ca 0.00 -1.85 -0.08 0.00 0.00 0.00 0.00 53.44 51.51 3lul n ALA 159 Cb 0.00 0.45 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 3lul n ALA 159 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3lul n ASP 160 N -2.55 2.41 -3.90 0.00 8.00 0.11 -3.54 116.55 117.09 3lul n ASP 160 Ca 0.15 -0.04 -0.09 0.00 0.71 0.00 0.00 54.79 55.52 3lul n ASP 160 Cb 0.54 0.29 -0.04 0.00 -0.02 0.00 0.00 41.12 41.89 3lul n ASP 160 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3lul s ASP 161 N -4.97 -0.16 0.05 -2.24 -1.08 -0.92 -4.72 116.67 102.62 3lul s ASP 161 Ca -0.13 -0.74 0.09 0.00 -0.52 0.00 0.00 52.55 51.25 3lul s ASP 161 Cb 0.04 0.60 -0.03 0.00 -1.46 0.00 0.00 42.92 42.08 3lul s ASP 161 CO 0.42 -1.14 -0.26 0.00 0.52 0.00 0.00 175.17 174.72 3lul s ALA 162 N -3.96 2.28 -0.16 3.66 0.00 -1.26 -2.23 121.76 120.09 3lul s ALA 162 Ca 0.16 -1.27 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3lul s ALA 162 Cb -0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 3lul s ALA 162 CO 0.05 0.54 -0.11 -1.17 0.00 0.00 0.00 175.76 175.07 3lul s LEU 163 N -1.27 2.74 0.05 0.00 2.96 -0.16 -2.77 118.68 120.24 3lul s LEU 163 Ca 0.12 -0.36 -0.03 0.00 -0.22 0.00 0.00 54.13 53.64 3lul s LEU 163 Cb -0.10 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 3lul s LEU 163 CO 0.02 0.10 0.25 -0.36 -1.32 0.00 0.00 176.35 175.05 3lul s PHE 164 N 0.74 3.53 0.16 5.38 0.08 -0.50 -1.06 117.98 126.31 3lul s PHE 164 Ca -0.05 0.40 0.11 0.00 0.12 0.00 0.00 56.93 57.52 3lul s PHE 164 Cb -0.15 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.38 3lul s PHE 164 CO 0.02 0.57 -0.25 -0.06 -0.10 0.00 0.00 175.22 175.40 3lul s PHE 165 N -1.46 2.32 0.72 0.36 0.40 -1.26 -0.91 117.98 118.15 3lul s PHE 165 Ca 0.33 -0.37 -0.03 0.00 -0.60 0.00 0.00 56.93 56.26 3lul s PHE 165 Cb -0.13 -1.20 0.11 0.00 0.51 0.00 0.00 43.02 42.31 3lul s PHE 165 CO 0.23 0.42 1.01 0.54 0.70 0.00 0.00 175.22 178.11 3lul s ASN 166 N -2.35 4.40 0.00 1.36 2.20 0.26 -1.55 114.94 119.26 3lul s ASN 166 Ca 0.17 -0.09 0.20 0.00 -0.94 0.00 0.00 52.86 52.20 3lul s ASN 166 Cb -0.09 -0.36 1.12 0.00 -2.00 0.00 0.00 41.25 39.91 3lul s ASN 166 CO 0.08 -1.82 1.61 0.35 -2.94 0.00 0.00 177.10 174.38 3lul n THR 167 N -2.90 0.19 -0.35 0.54 -2.24 -0.02 -1.12 114.28 108.38 3lul n THR 167 Ca 0.13 0.05 0.10 0.00 -2.27 0.00 0.00 64.05 62.05 3lul n THR 167 Cb 0.60 -0.72 0.32 0.00 -2.10 0.00 0.00 70.33 68.43 3lul n THR 167 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3lul n GLU 168 N -1.13 3.17 -2.88 -0.78 1.02 -1.26 -4.95 120.64 113.83 3lul n GLU 168 Ca 0.13 -2.60 -0.22 0.00 -0.02 0.00 0.00 57.16 54.45 3lul n GLU 168 Cb 0.11 -1.73 0.02 0.00 -0.02 0.00 0.00 31.44 29.82 3lul n GLU 168 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3lul n ASN 169 N 1.24 -5.80 -4.69 1.62 4.13 -0.28 -5.01 115.26 106.46 3lul n ASN 169 Ca 0.24 -0.21 -0.35 0.00 1.68 0.00 0.00 54.58 55.94 3lul n ASN 169 Cb 0.74 -4.74 -0.09 0.00 -1.54 0.00 0.00 39.78 34.15 3lul n ASN 169 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 3lul s HIS 170 N -3.11 3.18 0.44 3.10 3.76 -1.25 -4.29 115.29 117.12 3lul s HIS 170 Ca 0.23 0.20 -0.25 0.00 -0.15 0.00 0.00 55.06 55.10 3lul s HIS 170 Cb -0.10 -1.79 -0.08 0.00 1.11 0.00 0.00 32.58 31.72 3lul s HIS 170 CO 0.28 0.48 1.27 0.54 -0.85 0.00 0.00 174.74 176.46 3lul s VAL 171 N -0.90 2.70 0.00 -0.90 0.11 -0.08 -0.57 120.40 120.76 3lul s VAL 171 Ca 0.14 0.58 0.00 0.00 -2.93 0.00 0.00 61.98 59.77 3lul s VAL 171 Cb -0.11 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 3lul s VAL 171 CO 0.03 0.05 0.00 0.35 -3.33 0.00 0.00 175.10 172.20 3lul n THR 172 N -0.20 0.00 -3.83 5.04 -2.24 -0.09 -4.72 114.28 108.25 3lul n THR 172 Ca 0.06 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.76 3lul n THR 172 Cb 0.45 -0.66 0.01 0.00 -2.10 0.00 0.00 70.33 68.02 3lul n THR 172 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3lul s GLU 173 N 0.00 1.98 0.00 -0.78 -1.05 -1.24 -4.43 118.70 113.18 3lul s GLU 173 Ca 0.00 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.60 3lul s GLU 173 Cb 0.00 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.28 3lul s GLU 173 CO 0.00 -0.92 0.00 0.25 0.95 0.00 0.00 175.26 175.54 3lul n THR 174 N -0.52 0.00 0.31 1.83 -2.24 -0.20 -1.42 114.28 112.05 3lul n THR 174 Ca -0.07 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.89 3lul n THR 174 Cb 0.60 -1.46 0.75 0.00 -2.10 0.00 0.00 70.33 68.12 3lul n THR 174 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3lul h THR 175 N -0.25 0.00 0.00 4.28 1.35 -1.88 -3.37 112.91 113.04 3lul h THR 175 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 3lul h THR 175 Cb 0.00 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 3lul h THR 175 CO 0.00 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 175.23 3lul s ALA 177 N 0.00 -1.70 0.56 0.00 0.00 -1.26 -4.73 121.76 114.63 3lul s ALA 177 Ca 0.00 1.23 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 3lul s ALA 177 Cb 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 23.12 23.09 3lul s ALA 177 CO 0.00 -0.37 0.97 -0.80 0.00 0.00 0.00 175.76 175.56 3lul s ASN 178 N -1.23 6.38 -0.05 0.00 -0.87 -0.60 -1.03 114.94 117.54 3lul s ASN 178 Ca -0.11 1.39 0.03 0.00 -1.57 0.00 0.00 52.86 52.61 3lul s ASN 178 Cb -0.00 -2.45 -0.03 0.00 -0.02 0.00 0.00 41.25 38.75 3lul s ASN 178 CO 0.09 -0.72 -0.14 -0.22 -2.57 0.00 0.00 177.10 173.54 3lul s LEU 179 N -4.69 2.74 0.09 0.60 0.20 -1.26 -1.13 118.68 115.22 3lul s LEU 179 Ca 0.55 -0.20 0.06 0.00 0.69 0.00 0.00 54.13 55.24 3lul s LEU 179 Cb -0.11 -1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 44.07 3lul s LEU 179 CO 0.44 0.34 -0.16 -0.36 -0.29 0.00 0.00 176.35 176.32 3lul s PHE 180 N -0.70 1.43 0.20 5.38 0.40 -0.11 -4.17 117.98 120.41 3lul s PHE 180 Ca 0.11 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 56.02 3lul s PHE 180 Cb -0.11 -0.79 -0.05 0.00 0.51 0.00 0.00 43.02 42.58 3lul s PHE 180 CO 0.01 0.12 -0.02 -0.48 0.70 0.00 0.00 175.22 175.54 3lul s LEU 181 N -1.88 2.24 -0.09 -0.37 0.05 -0.16 -1.28 118.68 117.18 3lul s LEU 181 Ca 0.02 -1.17 0.02 0.00 0.05 0.00 0.00 54.13 53.06 3lul s LEU 181 Cb -0.09 -0.23 0.01 0.00 -2.05 0.00 0.00 46.19 43.82 3lul s LEU 181 CO 0.03 -0.49 -0.16 -0.63 -0.55 0.00 0.00 176.35 174.55 3lul s ILE 182 N -3.46 1.52 -0.03 1.48 1.01 0.19 -0.82 121.20 121.10 3lul s ILE 182 Ca 0.25 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 3lul s ILE 182 Cb 0.05 -1.37 0.03 0.00 0.01 0.00 0.00 42.46 41.18 3lul s ILE 182 CO 0.06 0.44 0.02 -0.70 0.00 0.00 0.00 174.94 174.76 3lul s GLU 183 N 0.74 0.08 -1.46 2.79 2.12 -0.37 -0.38 118.70 122.21 3lul s GLU 183 Ca -0.12 0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.34 3lul s GLU 183 Cb -0.16 -0.35 0.03 0.00 0.26 0.00 0.00 34.13 33.90 3lul s GLU 183 CO 0.02 -0.17 0.47 -1.71 -0.54 0.00 0.00 175.26 173.33 3lul n ASN 184 N 4.26 -0.83 -1.51 -1.70 5.15 -1.26 -1.51 115.26 117.86 3lul n ASN 184 Ca -0.25 -1.01 -0.20 0.00 -0.60 0.00 0.00 54.58 52.52 3lul n ASN 184 Cb 0.50 -2.97 -0.08 0.00 -0.53 0.00 0.00 39.78 36.70 3lul n ASN 184 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3lul n ASN 185 N -2.93 -5.38 -4.39 1.20 3.02 -1.26 -4.99 115.26 100.54 3lul n ASN 185 Ca -0.24 0.49 -0.32 0.00 -0.03 0.00 0.00 54.58 54.47 3lul n ASN 185 Cb 0.65 -4.61 -0.14 0.00 -0.61 0.00 0.00 39.78 35.06 3lul n ASN 185 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3lul s ILE 186 N -2.73 2.73 0.01 2.41 1.01 -0.57 -4.73 121.20 119.33 3lul s ILE 186 Ca 0.00 -0.82 -0.18 0.00 0.00 0.00 0.00 60.65 59.65 3lul s ILE 186 Cb 0.00 -2.06 -0.06 0.00 0.01 0.00 0.00 42.46 40.35 3lul s ILE 186 CO 0.00 0.57 0.51 -0.76 0.00 0.00 0.00 174.94 175.26 3lul s LEU 187 N -0.34 4.45 0.04 2.97 1.43 -0.73 -1.24 118.68 125.26 3lul s LEU 187 Ca 0.03 1.09 0.05 0.00 -1.03 0.00 0.00 54.13 54.26 3lul s LEU 187 Cb -0.13 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 3lul s LEU 187 CO 0.02 0.21 -0.14 -0.31 0.23 0.00 0.00 176.35 176.37 3lul s TYR 188 N -0.65 1.18 -0.08 0.29 1.51 0.00 0.08 117.35 119.70 3lul s TYR 188 Ca 0.27 -0.35 -0.19 0.00 -1.01 0.00 0.00 57.07 55.80 3lul s TYR 188 Cb -0.18 -0.71 0.04 0.00 -0.11 0.00 0.00 41.96 41.01 3lul s TYR 188 CO 0.16 0.03 0.45 -0.08 -1.11 0.00 0.00 175.55 174.99 3lul s THR 189 N -0.84 0.02 0.55 -0.71 -1.32 -0.45 -0.99 115.64 111.91 3lul s THR 189 Ca 0.01 -0.21 -0.21 0.00 -1.21 0.00 0.00 61.69 60.08 3lul s THR 189 Cb -0.08 -0.71 -0.06 0.00 -1.51 0.00 0.00 72.50 70.14 3lul s THR 189 CO 0.01 -0.11 1.12 -2.65 -2.21 0.00 0.00 174.62 170.78 3lul n PRO 190 N 1.74 1.25 -1.98 7.08 -0.02 -1.25 -1.65 135.00 140.16 3lul n PRO 190 Ca -0.18 0.47 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 3lul n PRO 190 Cb 0.56 -2.30 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 3lul n PRO 190 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3lul s ARG 191 N -2.69 3.20 0.29 -0.52 0.52 -1.21 -4.67 118.95 113.86 3lul s ARG 191 Ca 0.72 1.26 0.03 0.00 -0.52 0.00 0.00 55.73 57.22 3lul s ARG 191 Cb -0.44 -2.01 0.64 0.00 0.52 0.00 0.00 34.95 33.66 3lul s ARG 191 CO 0.49 -0.91 1.78 -0.39 0.02 0.00 0.00 175.30 176.29 3lul h VAL 192 N 0.36 0.74 0.00 3.52 -1.51 -1.93 -1.60 116.25 115.83 3lul h VAL 192 Ca -0.47 -0.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 3lul h VAL 192 Cb 1.23 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.32 3lul h VAL 192 CO 0.57 0.14 0.00 -0.62 -1.23 0.00 0.00 177.57 176.42 3lul n GLU 193 N -4.79 0.08 0.00 5.19 4.71 -1.26 -2.19 120.64 122.39 3lul n GLU 193 Ca 0.21 0.36 0.10 0.00 -0.01 0.00 0.00 57.16 57.82 3lul n GLU 193 Cb 0.50 -1.66 0.50 0.00 -1.01 0.00 0.00 31.44 29.76 3lul n GLU 193 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3lul n ASP 194 N -1.82 0.00 -0.29 1.62 8.00 -0.60 -4.90 116.55 118.57 3lul n ASP 194 Ca 0.02 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.66 3lul n ASP 194 Cb 0.17 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 3lul n ASP 194 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lul n GLY 195 N 0.53 0.52 3.69 0.44 0.00 -0.93 -4.58 105.19 104.86 3lul n GLY 195 Ca 0.08 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 3lul n GLY 195 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3lul s ILE 196 N -1.64 3.31 -0.06 -0.61 -4.36 -1.23 -4.79 121.20 111.82 3lul s ILE 196 Ca 0.00 -1.81 -0.30 0.00 -0.26 0.00 0.00 60.65 58.28 3lul s ILE 196 Cb 0.00 -2.92 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 3lul s ILE 196 CO 0.00 -0.30 1.31 -0.22 0.24 0.00 0.00 174.94 175.98 3lul s LEU 197 N -3.75 4.27 -1.10 0.37 1.98 -1.02 -4.29 118.68 115.14 3lul s LEU 197 Ca 0.34 1.92 -0.22 0.00 -2.89 0.00 0.00 54.13 53.27 3lul s LEU 197 Cb -0.05 -3.55 -0.01 0.00 0.66 0.00 0.00 46.19 43.25 3lul s LEU 197 CO 0.21 -0.69 1.77 -2.16 -1.89 0.00 0.00 176.35 173.59 3lul s PRO 198 N 2.70 3.14 0.55 0.98 0.04 -1.26 -4.93 135.00 136.23 3lul s PRO 198 Ca 0.59 -1.13 -0.21 0.00 0.04 0.00 0.00 61.00 60.30 3lul s PRO 198 Cb -0.27 -5.30 -0.05 0.00 0.04 0.00 0.00 34.50 28.93 3lul s PRO 198 CO 0.22 -2.98 1.27 0.20 0.04 0.00 0.00 177.00 175.75 3lul s GLY 199 N 5.97 2.82 0.16 0.56 0.00 -1.26 -4.92 107.32 110.65 3lul s GLY 199 Ca 0.60 1.14 -0.10 0.00 0.00 0.00 0.00 44.72 46.36 3lul s GLY 199 CO 0.03 1.60 1.55 -2.22 0.00 0.00 0.00 173.10 174.06 3lul h ILE 200 N 1.26 1.27 -0.24 0.90 2.04 -1.97 -1.57 117.51 119.20 3lul h ILE 200 Ca -0.50 -1.36 -0.07 0.00 1.00 0.00 0.00 64.86 63.92 3lul h ILE 200 Cb 1.29 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 3lul h ILE 200 CO 0.57 0.47 -0.12 0.74 0.00 0.00 0.00 178.15 179.81 3lul h THR 201 N 0.86 1.30 -0.39 -0.27 2.02 -1.91 -0.83 112.91 113.69 3lul h THR 201 Ca 0.12 -1.21 0.08 0.00 0.77 0.00 0.00 66.41 66.17 3lul h THR 201 Cb 0.78 1.59 -0.08 0.00 -1.74 0.00 0.00 68.15 68.69 3lul h THR 201 CO 0.06 0.37 -0.16 -0.09 0.37 0.00 0.00 175.52 176.07 3lul h ARG 202 N 0.22 -0.08 -0.67 6.66 2.43 -1.88 -0.01 114.38 121.04 3lul h ARG 202 Ca 0.05 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3lul h ARG 202 Cb 0.63 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 3lul h ARG 202 CO 0.04 -0.06 0.44 0.00 -1.51 0.00 0.00 179.97 178.88 3lul h ALA 203 N 1.22 0.85 -0.62 2.80 0.00 -1.02 -1.75 119.26 120.75 3lul h ALA 203 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3lul h ALA 203 Cb 0.38 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3lul h ALA 203 CO -0.45 0.28 0.25 0.00 0.00 0.00 0.00 179.25 179.33 3lul h ARG 204 N 0.91 0.92 -0.38 0.00 3.08 -0.67 -1.91 114.38 116.33 3lul h ARG 204 Ca 0.24 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3lul h ARG 204 Cb -0.09 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.79 3lul h ARG 204 CO -0.05 0.78 0.13 -0.07 -1.07 0.00 0.00 179.97 179.68 3lul h LEU 205 N 0.86 0.54 -0.58 3.04 3.38 -0.77 -0.69 115.31 121.10 3lul h LEU 205 Ca 0.21 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.03 3lul h LEU 205 Cb 0.19 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3lul h LEU 205 CO -0.02 0.59 0.32 0.40 0.09 0.00 0.00 178.44 179.82 3lul h ILE 206 N 0.46 1.00 -0.11 1.22 2.04 -1.22 -1.23 117.51 119.67 3lul h ILE 206 Ca 0.12 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3lul h ILE 206 Cb 0.23 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3lul h ILE 206 CO -0.01 0.11 0.07 -1.28 0.00 0.00 0.00 178.15 177.05 3lul h SER 207 N 0.62 0.13 -0.75 1.72 0.87 -1.02 -1.03 113.55 114.09 3lul h SER 207 Ca 0.25 -0.02 0.11 0.00 -1.23 0.00 0.00 61.79 60.91 3lul h SER 207 Cb 0.11 -0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 61.96 3lul h SER 207 CO -0.15 0.10 0.37 0.45 -0.53 0.00 0.00 176.83 177.07 3lul h HIS 208 N 0.14 0.65 -0.48 2.24 3.86 -0.85 -0.26 115.15 120.44 3lul h HIS 208 Ca 0.04 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 3lul h HIS 208 Cb -0.00 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3lul h HIS 208 CO -0.07 0.20 0.13 0.00 0.86 0.00 0.00 177.93 179.05 3lul h GLN 210 N 0.65 0.77 -0.53 0.00 4.20 -0.71 0.61 115.11 120.10 3lul h GLN 210 Ca 0.15 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 3lul h GLN 210 Cb 0.31 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3lul h GLN 210 CO -0.00 0.59 0.15 1.96 -0.67 0.00 0.00 178.83 180.86 3lul h GLN 211 N 0.73 0.80 -0.44 1.46 4.20 -0.87 -2.76 115.11 118.24 3lul h GLN 211 Ca 0.19 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3lul h GLN 211 Cb 0.05 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.71 3lul h GLN 211 CO -0.03 0.70 0.00 0.72 -0.67 0.00 0.00 178.83 179.55 3lul n HIS 212 N -4.29 0.58 -2.16 2.96 8.25 -0.36 -5.10 115.22 115.10 3lul n HIS 212 Ca 0.04 -0.29 -0.00 0.00 -0.26 0.00 0.00 57.72 57.21 3lul n HIS 212 Cb 0.21 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.32 3lul n HIS 212 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3lul n LYS 213 N 0.91 -1.70 -4.31 -0.41 4.01 0.15 -5.03 118.16 111.78 3lul n LYS 213 Ca 0.17 1.25 -0.26 0.00 -0.51 0.00 0.00 58.31 58.96 3lul n LYS 213 Cb 0.42 -1.87 -0.17 0.00 -0.51 0.00 0.00 35.03 32.91 3lul n LYS 213 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3lul s SER 215 N -0.19 2.03 -0.04 4.39 0.15 -1.26 -5.03 113.70 113.74 3lul s SER 215 Ca -0.01 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.33 3lul s SER 215 Cb 0.00 -0.88 0.03 0.00 -1.71 0.00 0.00 66.02 63.46 3lul s SER 215 CO 0.02 -0.03 -0.01 0.54 1.20 0.00 0.00 173.24 174.96 3lul s VAL 216 N 1.10 0.33 -0.16 4.45 0.11 -1.26 -1.77 120.40 123.20 3lul s VAL 216 Ca -0.06 0.02 0.01 0.00 -2.93 0.00 0.00 61.98 59.02 3lul s VAL 216 Cb -0.14 -0.41 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 3lul s VAL 216 CO -0.02 0.19 -0.20 -1.10 -3.33 0.00 0.00 175.10 170.65 3lul s GLN 217 N 1.14 2.90 -0.66 1.54 -1.52 0.11 -4.97 119.66 118.21 3lul s GLN 217 Ca -0.08 -0.80 -0.19 0.00 -1.95 0.00 0.00 55.36 52.34 3lul s GLN 217 Cb -0.14 -2.46 0.11 0.00 -0.22 0.00 0.00 33.01 30.30 3lul s GLN 217 CO -0.02 -0.16 0.81 -1.21 -0.25 0.00 0.00 175.29 174.46 3lul s GLU 218 N 1.17 3.15 0.13 2.91 2.02 -1.26 -1.34 118.70 125.48 3lul s GLU 218 Ca 0.01 -1.34 -0.03 0.00 0.02 0.00 0.00 54.97 53.64 3lul s GLU 218 Cb -0.14 -4.34 -0.03 0.00 0.10 0.00 0.00 34.13 29.72 3lul s GLU 218 CO -0.09 -1.61 0.10 0.96 0.02 0.00 0.00 175.26 174.63 3lul s ILE 219 N 2.82 0.11 0.08 -1.63 -4.36 -0.66 -4.65 121.20 112.90 3lul s ILE 219 Ca 0.16 -1.79 -0.30 0.00 -0.26 0.00 0.00 60.65 58.46 3lul s ILE 219 Cb -0.20 -1.95 -0.05 0.00 1.25 0.00 0.00 42.46 41.51 3lul s ILE 219 CO 0.04 -0.48 1.06 -0.44 0.24 0.00 0.00 174.94 175.37 3lul s SER 220 N -3.02 7.30 -0.12 4.36 0.01 -1.26 -3.34 113.70 117.63 3lul s SER 220 Ca 0.21 1.87 0.03 0.00 1.31 0.00 0.00 55.95 59.37 3lul s SER 220 Cb 0.07 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.72 3lul s SER 220 CO 0.00 -0.27 -0.20 -0.76 0.41 0.00 0.00 173.24 172.42 3lul s LEU 221 N 0.53 1.97 0.77 2.44 1.43 -1.26 -5.05 118.68 119.51 3lul s LEU 221 Ca 0.52 -0.52 -0.09 0.00 -1.03 0.00 0.00 54.13 53.00 3lul s LEU 221 Cb -0.25 -1.30 0.08 0.00 0.03 0.00 0.00 46.19 44.75 3lul s LEU 221 CO 0.30 0.08 1.10 0.42 0.23 0.00 0.00 176.35 178.49 3lul s THR 222 N 0.73 2.13 0.31 5.49 -4.23 -1.26 -0.90 115.64 117.91 3lul s THR 222 Ca -0.11 -0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.27 3lul s THR 222 Cb -0.16 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 70.85 3lul s THR 222 CO 0.01 0.00 1.85 0.50 -0.54 0.00 0.00 174.62 176.44 3lul h LYS 223 N -0.86 0.70 -0.76 3.99 3.64 -1.98 -2.32 116.57 118.98 3lul h LYS 223 Ca -0.45 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 58.78 3lul h LYS 223 Cb 1.32 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.99 3lul h LYS 223 CO 0.61 0.66 0.46 -0.22 -2.27 0.00 0.00 179.45 178.69 3lul h LYS 224 N 0.68 1.03 -0.97 1.90 3.64 -1.95 -0.94 116.57 119.95 3lul h LYS 224 Ca 0.15 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3lul h LYS 224 Cb 0.30 -0.22 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 3lul h LYS 224 CO 0.00 0.72 0.64 0.00 -2.27 0.00 0.00 179.45 178.54 3lul h ARG 225 N 1.05 1.22 -0.12 1.90 2.47 -1.79 -1.64 114.38 117.46 3lul h ARG 225 Ca 0.27 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.89 3lul h ARG 225 Cb -0.05 -0.28 -0.00 0.00 -1.65 0.00 0.00 29.97 28.00 3lul h ARG 225 CO -0.05 0.81 -0.03 0.82 0.56 0.00 0.00 179.97 182.08 3lul h ILE 226 N 1.26 1.29 0.00 2.04 2.04 -1.29 -2.51 117.51 120.33 3lul h ILE 226 Ca 0.37 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 3lul h ILE 226 Cb -0.06 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3lul h ILE 226 CO -0.10 0.28 -0.22 1.05 0.00 0.00 0.00 178.15 179.15 3lul h GLU 227 N -0.07 0.00 -0.01 2.37 4.11 -1.01 -1.12 114.58 118.84 3lul h GLU 227 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3lul h GLU 227 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3lul h GLU 227 CO 0.01 0.22 -0.05 -0.25 0.07 0.00 0.00 179.01 179.01 3lul n ASP 228 N -4.24 0.79 -4.75 3.06 8.00 -0.63 -4.97 116.55 113.80 3lul n ASP 228 Ca -0.02 -1.08 -0.34 0.00 0.71 0.00 0.00 54.79 54.06 3lul n ASP 228 Cb 0.28 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.42 3lul n ASP 228 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3lul s ALA 229 N -2.16 2.40 0.10 2.24 0.00 -0.43 -4.97 121.76 118.95 3lul s ALA 229 Ca 0.37 0.82 -0.13 0.00 0.00 0.00 0.00 51.96 53.03 3lul s ALA 229 Cb 0.21 -3.41 -0.17 0.00 0.00 0.00 0.00 23.12 19.75 3lul s ALA 229 CO 0.39 -1.38 1.28 -0.44 0.00 0.00 0.00 175.76 175.61 3lul h ASP 230 N 0.31 0.93 -5.12 0.00 3.32 -1.05 -3.47 116.42 111.34 3lul h ASP 230 Ca -0.48 -0.65 -0.06 0.00 0.02 0.00 0.00 57.03 55.86 3lul h ASP 230 Cb 1.28 -0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.42 3lul h ASP 230 CO 0.53 1.45 -0.17 0.00 -1.72 0.00 0.00 179.24 179.33 3lul s ALA 231 N -3.63 -0.64 -0.02 3.45 0.00 -1.06 -4.08 121.76 115.79 3lul s ALA 231 Ca -0.10 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 3lul s ALA 231 Cb 0.08 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3lul s ALA 231 CO 0.91 -0.62 0.04 0.08 0.00 0.00 0.00 175.76 176.17 3lul s VAL 232 N -3.84 -0.00 0.15 0.00 1.01 -1.26 -0.64 120.40 115.82 3lul s VAL 232 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.89 3lul s VAL 232 Cb 0.03 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.36 3lul s VAL 232 CO -0.10 0.00 0.40 0.72 0.00 0.00 0.00 175.10 176.13 3lul s PHE 233 N 0.02 -0.03 0.26 5.22 -0.12 -0.40 -1.61 117.98 121.32 3lul s PHE 233 Ca -0.00 -0.32 0.12 0.00 -0.05 0.00 0.00 56.93 56.68 3lul s PHE 233 Cb -0.00 0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 42.56 3lul s PHE 233 CO 0.00 -0.77 -0.19 -0.51 -0.05 0.00 0.00 175.22 173.70 3lul s LEU 234 N -2.86 2.60 -0.01 -1.99 1.43 0.43 -0.94 118.68 117.34 3lul s LEU 234 Ca 0.08 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 3lul s LEU 234 Cb 0.01 -1.17 -0.00 0.00 0.03 0.00 0.00 46.19 45.07 3lul s LEU 234 CO -0.06 0.06 -0.05 0.42 0.23 0.00 0.00 176.35 176.95 3lul s THR 235 N -2.30 0.39 0.28 5.49 -4.23 -0.28 -0.97 115.64 114.02 3lul s THR 235 Ca 0.28 -0.19 -0.20 0.00 -1.18 0.00 0.00 61.69 60.39 3lul s THR 235 Cb -0.06 -0.34 0.03 0.00 1.34 0.00 0.00 72.50 73.47 3lul s THR 235 CO 0.14 0.12 0.77 0.54 -0.54 0.00 0.00 174.62 175.65 3lul s ASN 236 N -0.02 -0.19 0.18 3.99 2.20 -0.90 -1.55 114.94 118.65 3lul s ASN 236 Ca 0.01 -0.69 -0.05 0.00 -0.94 0.00 0.00 52.86 51.18 3lul s ASN 236 Cb -0.03 0.72 0.09 0.00 -2.00 0.00 0.00 41.25 40.03 3lul s ASN 236 CO -0.00 -1.36 1.51 0.28 -2.94 0.00 0.00 177.10 174.59 3lul h SER 237 N 2.00 0.73 0.17 3.54 0.02 -1.87 0.59 113.55 118.72 3lul h SER 237 Ca -0.22 -0.36 -0.28 0.00 -0.84 0.00 0.00 61.79 60.09 3lul h SER 237 Cb 1.25 -0.21 0.02 0.00 0.14 0.00 0.00 62.40 63.60 3lul h SER 237 CO 0.27 1.09 -1.14 -0.07 -1.14 0.00 0.00 176.83 175.84 3lul h LEU 238 N 0.53 0.80 0.00 5.07 3.38 -1.94 -3.37 115.31 119.77 3lul h LEU 238 Ca 0.03 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.30 3lul h LEU 238 Cb 1.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3lul h LEU 238 CO 0.10 1.50 -1.24 0.00 0.09 0.00 0.00 178.44 178.89 3lul n GLN 239 N -3.78 0.64 0.00 1.13 1.13 -1.23 -4.93 117.38 110.34 3lul n GLN 239 Ca -0.11 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 54.89 3lul n GLN 239 Cb 0.93 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.86 3lul n GLN 239 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3lul n GLY 240 N 1.43 2.59 3.73 1.08 0.00 0.20 -4.62 105.19 109.60 3lul n GLY 240 Ca 0.01 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3lul n GLY 240 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lul s ILE 241 N 0.00 5.09 -0.11 -0.61 1.01 -1.26 -2.11 121.20 123.20 3lul s ILE 241 Ca 0.00 1.13 0.03 0.00 0.00 0.00 0.00 60.65 61.81 3lul s ILE 241 Cb 0.00 -3.89 0.01 0.00 0.01 0.00 0.00 42.46 38.59 3lul s ILE 241 CO 0.00 0.34 -0.19 -0.60 0.00 0.00 0.00 174.94 174.49 3lul s ARG 242 N 0.41 2.63 0.39 2.79 6.06 -0.14 -4.97 118.95 126.12 3lul s ARG 242 Ca 0.30 -0.72 -0.24 0.00 -2.50 0.00 0.00 55.73 52.57 3lul s ARG 242 Cb -0.16 -2.12 -0.10 0.00 0.06 0.00 0.00 34.95 32.63 3lul s ARG 242 CO 0.14 0.01 1.00 1.03 -2.50 0.00 0.00 175.30 174.98 3lul s ARG 243 N 0.76 4.26 -0.22 5.12 0.52 -1.26 -0.43 118.95 127.71 3lul s ARG 243 Ca -0.10 1.37 -0.06 0.00 -0.52 0.00 0.00 55.73 56.42 3lul s ARG 243 Cb -0.16 -2.50 -0.02 0.00 0.52 0.00 0.00 34.95 32.79 3lul s ARG 243 CO 0.01 -0.03 0.02 0.08 0.02 0.00 0.00 175.30 175.40 3lul s VAL 244 N -1.78 3.97 0.02 3.52 1.01 -0.63 -0.51 120.40 126.00 3lul s VAL 244 Ca 0.57 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 62.20 3lul s VAL 244 Cb -0.18 -2.82 -0.29 0.00 0.00 0.00 0.00 36.38 33.09 3lul s VAL 244 CO 0.23 0.40 0.91 0.25 0.00 0.00 0.00 175.10 176.89 3lul h LEU 245 N 7.84 0.48 -7.00 3.92 5.85 -0.99 -3.42 115.31 121.99 3lul h LEU 245 Ca -0.38 -0.61 -0.03 0.00 0.84 0.00 0.00 57.88 57.70 3lul h LEU 245 Cb 1.17 -0.16 -0.16 0.00 0.37 0.00 0.00 40.66 41.88 3lul h LEU 245 CO 0.60 1.50 0.23 -0.94 -0.34 0.00 0.00 178.44 179.49 3lul s SER 246 N -7.12 -0.59 -0.14 1.25 1.04 -1.21 -0.56 113.70 106.37 3lul s SER 246 Ca -0.09 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.75 3lul s SER 246 Cb 0.06 0.54 0.03 0.00 0.10 0.00 0.00 66.02 66.75 3lul s SER 246 CO 0.87 -0.73 -0.11 -0.22 0.98 0.00 0.00 173.24 174.04 3lul s LEU 247 N -1.82 1.52 0.00 2.42 2.96 -0.29 -0.71 118.68 122.77 3lul s LEU 247 Ca -0.05 -0.45 0.00 0.00 -0.22 0.00 0.00 54.13 53.41 3lul s LEU 247 Cb -0.00 -1.03 0.00 0.00 0.50 0.00 0.00 46.19 45.65 3lul s LEU 247 CO 0.00 -0.09 0.00 0.47 -1.32 0.00 0.00 176.35 175.41 3lul n ASP 248 N 4.84 0.00 -2.55 3.68 8.00 0.05 -1.40 116.55 129.17 3lul n ASP 248 Ca -0.15 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.00 3lul n ASP 248 Cb 0.50 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.64 3lul n ASP 248 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3lul n ASN 249 N 5.36 7.43 -3.78 -2.24 6.94 -1.26 -4.88 115.26 122.82 3lul n ASN 249 Ca 0.00 -3.70 -0.24 0.00 -0.02 0.00 0.00 54.58 50.63 3lul n ASN 249 Cb 0.00 -1.05 -0.17 0.00 -2.36 0.00 0.00 39.78 36.20 3lul n ASN 249 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3lul s ILE 250 N -4.49 0.44 -0.14 1.53 1.01 -0.49 -5.12 121.20 113.94 3lul s ILE 250 Ca 0.56 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 61.18 3lul s ILE 250 Cb 0.45 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 42.26 3lul s ILE 250 CO -0.20 0.24 0.13 -0.63 0.00 0.00 0.00 174.94 174.48 3lul s ILE 251 N 1.94 5.46 0.14 2.92 1.01 -1.26 -1.13 121.20 130.27 3lul s ILE 251 Ca 0.05 0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.96 3lul s ILE 251 Cb -0.13 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 3lul s ILE 251 CO -0.06 0.58 -0.07 -0.36 0.00 0.00 0.00 174.94 175.04 3lul s PHE 252 N -0.72 2.76 0.17 3.97 0.08 0.28 -4.98 117.98 119.54 3lul s PHE 252 Ca 0.13 -0.16 -0.32 0.00 0.12 0.00 0.00 56.93 56.71 3lul s PHE 252 Cb -0.12 -1.39 -0.10 0.00 -0.57 0.00 0.00 43.02 40.84 3lul s PHE 252 CO 0.03 0.47 1.60 -2.00 -0.10 0.00 0.00 175.22 175.22 3lul s GLU 253 N -2.54 4.20 0.10 0.44 2.56 -1.26 -4.78 118.70 117.41 3lul s GLU 253 Ca 0.24 2.41 0.24 0.00 0.00 0.00 0.00 54.97 57.86 3lul s GLU 253 Cb -0.10 -3.14 0.24 0.00 2.00 0.00 0.00 34.13 33.12 3lul s GLU 253 CO 0.16 -0.64 1.21 1.33 -0.56 0.00 0.00 175.26 176.76 3lul n VAL 254 N 3.98 0.31 -3.80 3.70 0.24 -1.26 -4.49 118.33 117.02 3lul n VAL 254 Ca 0.14 -0.28 -0.36 0.00 -2.04 0.00 0.00 64.34 61.80 3lul n VAL 254 Cb 0.38 -0.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.65 3lul n VAL 254 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3lul s ASN 255 N -4.20 6.48 -0.27 -1.34 0.01 -1.26 -4.88 114.94 109.47 3lul s ASN 255 Ca 0.05 0.55 -0.22 0.00 -0.71 0.00 0.00 52.86 52.53 3lul s ASN 255 Cb 0.13 -2.10 0.08 0.00 0.41 0.00 0.00 41.25 39.78 3lul s ASN 255 CO 0.75 0.35 0.74 -2.28 -1.51 0.00 0.00 177.10 175.15 3lul s HIS 256 N -1.13 -0.84 0.48 2.20 2.46 -1.26 -4.96 115.29 112.24 3lul s HIS 256 Ca 0.20 1.92 0.16 0.00 0.47 0.00 0.00 55.06 57.81 3lul s HIS 256 Cb -0.13 0.39 1.16 0.00 -0.13 0.00 0.00 32.58 33.87 3lul s HIS 256 CO 0.10 -0.41 2.05 -1.35 -2.47 0.00 0.00 174.74 172.65 3lul h PRO 257 N 5.56 0.20 -0.84 2.88 0.11 -2.00 -1.79 132.00 136.13 3lul h PRO 257 Ca -0.29 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 3lul h PRO 257 Cb 1.18 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3lul h PRO 257 CO 0.09 0.13 0.40 0.82 -0.21 0.00 0.00 178.00 179.24 3lul h ILE 258 N 0.21 1.26 -0.37 4.15 2.04 -1.99 -1.19 117.51 121.62 3lul h ILE 258 Ca 0.16 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3lul h ILE 258 Cb 0.39 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3lul h ILE 258 CO -0.03 0.31 0.11 0.40 0.00 0.00 0.00 178.15 178.95 3lul h ILE 259 N 1.20 1.21 -0.87 -0.67 2.04 -1.74 -0.86 117.51 117.81 3lul h ILE 259 Ca 0.29 -0.70 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 3lul h ILE 259 Cb 0.12 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3lul h ILE 259 CO -0.04 0.24 0.44 0.44 0.00 0.00 0.00 178.15 179.24 3lul h ASP 260 N 0.45 1.12 -0.20 1.72 3.32 -1.18 -0.66 116.42 120.99 3lul h ASP 260 Ca 0.12 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3lul h ASP 260 Cb 0.26 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3lul h ASP 260 CO -0.00 0.93 0.11 0.50 -1.72 0.00 0.00 179.24 179.05 3lul h LYS 261 N 1.23 0.28 -0.72 3.56 3.64 -1.00 -1.82 116.57 121.73 3lul h LYS 261 Ca 0.30 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.59 3lul h LYS 261 Cb 0.08 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3lul h LYS 261 CO -0.04 0.26 0.22 -0.07 -2.27 0.00 0.00 179.45 177.54 3lul h LEU 262 N 0.22 1.05 -0.55 5.20 3.38 -0.85 -0.95 115.31 122.80 3lul h LEU 262 Ca 0.07 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.88 3lul h LEU 262 Cb 0.06 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 3lul h LEU 262 CO -0.01 0.98 0.31 0.40 0.09 0.00 0.00 178.44 180.21 3lul h ILE 263 N 1.08 1.01 -0.07 1.22 2.04 -1.04 -0.50 117.51 121.25 3lul h ILE 263 Ca 0.23 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3lul h ILE 263 Cb 0.31 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3lul h ILE 263 CO -0.01 0.11 0.04 0.15 0.00 0.00 0.00 178.15 178.44 3lul h PHE 264 N 0.60 0.07 -0.41 1.37 3.04 -0.90 -1.13 116.94 119.59 3lul h PHE 264 Ca 0.23 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.15 3lul h PHE 264 Cb 0.09 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 3lul h PHE 264 CO -0.08 0.05 0.12 -0.07 -2.02 0.00 0.00 178.31 176.30 3lul h LEU 265 N 0.08 0.61 -1.20 0.59 3.38 -0.82 -1.60 115.31 116.35 3lul h LEU 265 Ca 0.03 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3lul h LEU 265 Cb -0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3lul h LEU 265 CO -0.01 0.66 0.52 -0.07 0.09 0.00 0.00 178.44 179.63 3lul h LEU 266 N 0.52 0.93 -0.89 1.67 3.38 -1.02 -2.61 115.31 117.28 3lul h LEU 266 Ca 0.13 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3lul h LEU 266 Cb 0.28 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3lul h LEU 266 CO -0.00 0.68 -0.06 0.78 0.09 0.00 0.00 178.44 179.93 3lul h ASN 267 N 1.09 0.73 0.48 -0.43 2.35 -0.60 -3.00 115.58 116.19 3lul h ASN 267 Ca 0.29 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 3lul h ASN 267 Cb -0.11 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.05 3lul h ASN 267 CO -0.06 0.84 -0.29 1.56 -1.65 0.00 0.00 177.43 177.83 3lul h GLN 268 N 0.69 0.00 -6.26 0.81 1.08 -0.92 -3.45 115.11 107.07 3lul h GLN 268 Ca 0.13 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 56.77 3lul h GLN 268 Cb 0.51 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 3lul h GLN 268 CO 0.03 0.29 1.18 -0.51 -0.95 0.00 0.00 178.83 178.87 3lul s ASP 269 N -6.59 6.38 -0.15 1.46 1.01 -1.14 -4.87 116.67 112.78 3lul s ASP 269 Ca -0.02 2.13 0.16 0.00 0.71 0.00 0.00 52.55 55.53 3lul s ASP 269 Cb 0.13 -2.53 0.69 0.00 1.01 0.00 0.00 42.92 42.22 3lul s ASP 269 CO 0.67 -1.18 1.60 -1.84 0.21 0.00 0.00 175.17 174.64 3lul n GLU 270 N 7.58 3.85 0.00 8.23 0.28 -1.26 -5.03 120.64 134.29 3lul n GLU 270 Ca 0.20 -2.89 0.13 0.00 -0.16 0.00 0.00 57.16 54.43 3lul n GLU 270 Cb 0.43 -1.94 0.76 0.00 1.43 0.00 0.00 31.44 32.13 3lul n GLU 270 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84