#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qle h GLU 5 N 0.00 -0.16 -0.07 1.61 4.22 -1.93 -2.40 114.58 115.85 2qle h GLU 5 Ca 0.00 0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.47 2qle h GLU 5 Cb 0.00 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2qle h GLU 5 CO 0.00 -0.10 0.29 1.05 -2.18 0.00 0.00 179.01 178.06 2qle h GLU 6 N -0.16 0.00 0.00 1.92 4.11 -2.00 1.52 114.58 119.96 2qle h GLU 6 Ca 0.23 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.66 2qle h GLU 6 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2qle h GLU 6 CO -0.67 0.00 -0.01 1.25 0.07 0.00 0.00 179.01 179.65 2qle h LEU 7 N 0.00 0.00 -3.05 3.06 5.85 -1.86 -2.97 115.31 116.34 2qle h LEU 7 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2qle h LEU 7 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2qle h LEU 7 CO -0.00 0.01 0.00 0.49 -0.34 0.00 0.00 178.44 178.60 2qle n PHE 8 N -3.11 0.34 0.29 1.25 3.72 0.52 -4.71 117.46 115.75 2qle n PHE 8 Ca -0.01 -0.77 0.17 0.00 -0.05 0.00 0.00 57.45 56.80 2qle n PHE 8 Cb 0.23 -0.15 0.69 0.00 -0.94 0.00 0.00 39.48 39.30 2qle n PHE 8 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 2qle h THR 9 N 0.85 0.00 -1.26 4.37 1.35 -1.51 -3.38 112.91 113.34 2qle h THR 9 Ca 0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2qle h THR 9 Cb 0.96 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2qle h THR 9 CO 0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 2qle n GLY 10 N 0.01 5.78 3.69 5.82 0.00 -1.26 -4.76 105.19 114.46 2qle n GLY 10 Ca 0.01 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 2qle n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qle s VAL 11 N 1.29 4.90 -0.08 1.61 1.01 -1.26 -4.44 120.40 123.43 2qle s VAL 11 Ca 0.00 1.75 0.04 0.00 0.00 0.00 0.00 61.98 63.77 2qle s VAL 11 Cb 0.00 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.20 2qle s VAL 11 CO 0.00 0.11 -0.21 -0.69 0.00 0.00 0.00 175.10 174.31 2qle s VAL 12 N 1.52 1.82 0.48 2.92 1.01 -0.31 -4.96 120.40 122.88 2qle s VAL 12 Ca 0.43 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 2qle s VAL 12 Cb -0.18 -1.58 -0.07 0.00 0.00 0.00 0.00 36.38 34.55 2qle s VAL 12 CO 0.18 0.51 1.21 -2.16 0.00 0.00 0.00 175.10 174.84 2qle s PRO 13 N 0.35 3.60 0.05 2.72 0.05 -1.26 -1.52 135.00 138.99 2qle s PRO 13 Ca -0.16 1.87 0.07 0.00 0.05 0.00 0.00 61.00 62.83 2qle s PRO 13 Cb -0.17 -2.35 -0.03 0.00 0.05 0.00 0.00 34.50 32.00 2qle s PRO 13 CO 0.07 -0.71 -0.19 0.42 0.05 0.00 0.00 177.00 176.64 2qle s ILE 14 N -1.50 1.51 0.00 0.56 1.01 -0.45 0.38 121.20 122.71 2qle s ILE 14 Ca 0.66 -1.20 0.04 0.00 0.00 0.00 0.00 60.65 60.15 2qle s ILE 14 Cb -0.31 -1.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 2qle s ILE 14 CO 0.37 0.10 -0.14 -0.76 0.00 0.00 0.00 174.94 174.52 2qle s LEU 15 N -1.29 2.06 -0.01 2.97 1.43 0.02 -2.11 118.68 121.75 2qle s LEU 15 Ca 0.05 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 2qle s LEU 15 Cb -0.09 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 2qle s LEU 15 CO 0.02 0.14 -0.08 -0.69 0.23 0.00 0.00 176.35 175.97 2qle s VAL 16 N -0.43 0.64 -0.06 -1.59 1.01 -0.28 -1.53 120.40 118.16 2qle s VAL 16 Ca 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2qle s VAL 16 Cb -0.06 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.81 2qle s VAL 16 CO -0.00 0.18 -0.00 -1.61 0.00 0.00 0.00 175.10 173.67 2qle s GLU 17 N -0.17 0.52 -0.06 2.72 0.41 -0.84 0.45 118.70 121.72 2qle s GLU 17 Ca 0.03 0.09 0.03 0.00 -0.41 0.00 0.00 54.97 54.71 2qle s GLU 17 Cb -0.03 -0.82 0.00 0.00 -1.78 0.00 0.00 34.13 31.51 2qle s GLU 17 CO -0.00 -0.24 -0.16 -1.17 -0.49 0.00 0.00 175.26 173.20 2qle s LEU 18 N 1.64 1.83 -0.21 1.80 0.20 0.15 0.46 118.68 124.55 2qle s LEU 18 Ca -0.00 -0.36 -0.02 0.00 0.69 0.00 0.00 54.13 54.44 2qle s LEU 18 Cb -0.13 -0.98 0.01 0.00 -0.43 0.00 0.00 46.19 44.66 2qle s LEU 18 CO -0.03 0.10 -0.10 -0.62 -0.29 0.00 0.00 176.35 175.40 2qle s ASP 19 N 0.37 3.86 0.16 3.68 -1.08 -0.54 -0.71 116.67 122.41 2qle s ASP 19 Ca -0.11 -0.57 0.07 0.00 -0.52 0.00 0.00 52.55 51.42 2qle s ASP 19 Cb -0.15 -1.63 -0.04 0.00 -1.46 0.00 0.00 42.92 39.64 2qle s ASP 19 CO 0.04 -0.03 -0.15 -0.83 0.52 0.00 0.00 175.17 174.72 2qle s GLY 20 N 1.38 1.25 -0.21 2.66 0.00 0.10 -1.95 107.32 110.56 2qle s GLY 20 Ca 0.05 -1.47 -0.04 0.00 0.00 0.00 0.00 44.72 43.25 2qle s GLY 20 CO -0.07 -1.54 0.33 -0.35 0.00 0.00 0.00 173.10 171.46 2qle s ASP 21 N -2.84 0.44 -0.14 1.64 -1.08 -0.38 -1.41 116.67 112.91 2qle s ASP 21 Ca 0.15 0.31 0.01 0.00 -0.52 0.00 0.00 52.55 52.50 2qle s ASP 21 Cb -0.03 0.91 0.02 0.00 -1.46 0.00 0.00 42.92 42.36 2qle s ASP 21 CO 0.05 -0.28 -0.16 -0.69 0.52 0.00 0.00 175.17 174.61 2qle s VAL 22 N 2.48 1.62 -0.88 1.11 1.01 -0.26 0.89 120.40 126.38 2qle s VAL 22 Ca 0.07 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 2qle s VAL 22 Cb -0.14 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.74 2qle s VAL 22 CO -0.13 0.47 0.02 0.59 0.00 0.00 0.00 175.10 176.05 2qle n ASN 23 N 4.54 -3.38 0.00 3.32 4.13 0.58 0.16 115.26 124.61 2qle n ASN 23 Ca -0.18 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.30 2qle n ASN 23 Cb 0.50 -2.89 0.00 0.00 -1.54 0.00 0.00 39.78 35.85 2qle n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qle n GLY 24 N -0.77 1.79 3.59 7.41 0.00 -1.26 -5.00 105.19 110.95 2qle n GLY 24 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 2qle n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qle s HIS 25 N -2.33 2.95 0.07 1.61 3.76 0.12 -5.00 115.29 116.47 2qle s HIS 25 Ca 0.00 0.68 -0.22 0.00 -0.15 0.00 0.00 55.06 55.38 2qle s HIS 25 Cb 0.00 -4.02 -0.06 0.00 1.11 0.00 0.00 32.58 29.60 2qle s HIS 25 CO 0.00 -1.05 0.65 0.15 -0.85 0.00 0.00 174.74 173.64 2qle s LYS 26 N 3.92 4.36 0.15 1.40 -0.14 -1.26 -1.10 119.74 127.06 2qle s LYS 26 Ca 0.42 0.88 -0.19 0.00 -1.36 0.00 0.00 55.97 55.73 2qle s LYS 26 Cb -0.10 -3.29 0.05 0.00 -1.68 0.00 0.00 37.83 32.81 2qle s LYS 26 CO 0.25 0.50 0.50 -0.59 -0.76 0.00 0.00 175.35 175.25 2qle s PHE 27 N -0.74 -0.31 0.02 3.18 -0.71 -0.50 -4.99 117.98 113.93 2qle s PHE 27 Ca 0.32 0.03 -0.00 0.00 -1.04 0.00 0.00 56.93 56.24 2qle s PHE 27 Cb -0.20 0.39 -0.02 0.00 -1.21 0.00 0.00 43.02 41.98 2qle s PHE 27 CO 0.21 -0.79 -0.02 0.45 -1.34 0.00 0.00 175.22 173.72 2qle s SER 28 N -2.80 0.22 0.00 1.98 0.15 -1.26 0.03 113.70 112.02 2qle s SER 28 Ca 0.03 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.23 2qle s SER 28 Cb 0.00 0.10 -0.00 0.00 -1.71 0.00 0.00 66.02 64.40 2qle s SER 28 CO -0.11 -0.28 -0.03 -0.69 1.20 0.00 0.00 173.24 173.33 2qle s VAL 29 N -1.37 0.21 0.01 4.45 1.01 0.12 -1.38 120.40 123.46 2qle s VAL 29 Ca -0.15 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 61.71 2qle s VAL 29 Cb -0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 2qle s VAL 29 CO -0.01 0.01 -0.24 -0.94 0.00 0.00 0.00 175.10 173.92 2qle s SER 30 N -0.21 2.88 0.14 3.32 1.04 -0.49 -0.67 113.70 119.71 2qle s SER 30 Ca -0.00 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.93 2qle s SER 30 Cb -0.02 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.77 2qle s SER 30 CO -0.00 0.26 -0.00 -0.83 0.98 0.00 0.00 173.24 173.65 2qle s GLY 31 N -0.90 1.01 0.13 7.32 0.00 0.17 -0.56 107.32 114.49 2qle s GLY 31 Ca 0.10 -1.48 -0.23 0.00 0.00 0.00 0.00 44.72 43.11 2qle s GLY 31 CO 0.01 -1.46 0.59 -1.83 0.00 0.00 0.00 173.10 170.41 2qle s GLU 32 N -3.93 1.23 0.00 2.90 -1.05 -0.25 -1.12 118.70 116.47 2qle s GLU 32 Ca 0.20 -0.41 0.00 0.00 -0.15 0.00 0.00 54.97 54.61 2qle s GLU 32 Cb 0.06 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.32 2qle s GLU 32 CO 0.00 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.11 2qle n GLY 33 N -0.20 -0.66 3.15 -3.83 0.00 -0.90 -1.00 105.19 101.76 2qle n GLY 33 Ca -0.17 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.30 2qle n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qle s GLU 34 N -1.11 0.73 0.03 1.61 2.02 -0.45 -1.34 118.70 120.20 2qle s GLU 34 Ca 0.00 -1.01 0.04 0.00 0.02 0.00 0.00 54.97 54.02 2qle s GLU 34 Cb 0.00 0.28 -0.02 0.00 0.10 0.00 0.00 34.13 34.49 2qle s GLU 34 CO 0.00 -0.20 -0.12 0.20 0.02 0.00 0.00 175.26 175.16 2qle s GLY 35 N -2.76 0.68 -0.40 -1.39 0.00 -0.58 -1.61 107.32 101.26 2qle s GLY 35 Ca 0.04 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.06 2qle s GLY 35 CO -0.10 -0.70 0.27 -0.35 0.00 0.00 0.00 173.10 172.22 2qle s ASP 36 N -0.99 2.61 0.56 1.64 2.15 0.12 -1.17 116.67 121.59 2qle s ASP 36 Ca 0.00 -2.60 0.33 0.00 0.43 0.00 0.00 52.55 50.71 2qle s ASP 36 Cb -0.07 -0.54 1.62 0.00 -0.30 0.00 0.00 42.92 43.62 2qle s ASP 36 CO 0.01 -0.25 2.10 0.00 -0.17 0.00 0.00 175.17 176.86 2qle h ALA 37 N 6.45 1.11 -0.69 3.66 0.00 -1.74 -1.30 119.26 126.75 2qle h ALA 37 Ca 0.12 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2qle h ALA 37 Cb 0.94 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 2qle h ALA 37 CO 0.34 0.08 0.46 1.15 0.00 0.00 0.00 179.25 181.28 2qle h THR 38 N 0.00 0.84 -0.23 0.00 2.02 -1.86 -0.94 112.91 112.75 2qle h THR 38 Ca -0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 2qle h THR 38 Cb 0.35 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2qle h THR 38 CO 0.01 0.07 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 2qle n TYR 39 N -4.47 0.30 -2.48 3.16 4.02 -0.58 -4.96 117.16 112.16 2qle n TYR 39 Ca 0.12 -0.42 -0.20 0.00 -0.01 0.00 0.00 57.90 57.40 2qle n TYR 39 Cb 0.46 -0.03 -0.00 0.00 -0.02 0.00 0.00 39.34 39.75 2qle n TYR 39 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qle n GLY 40 N 0.32 -0.50 3.56 2.72 0.00 -0.36 -4.70 105.19 106.24 2qle n GLY 40 Ca 0.08 0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 2qle n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qle s LYS 41 N -5.12 3.75 0.02 1.61 2.20 -0.69 0.78 119.74 122.29 2qle s LYS 41 Ca 0.03 -0.44 0.05 0.00 -0.36 0.00 0.00 55.97 55.25 2qle s LYS 41 Cb -0.02 -3.02 -0.02 0.00 -1.51 0.00 0.00 37.83 33.27 2qle s LYS 41 CO 0.04 0.29 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.66 2qle s LEU 42 N 0.27 2.10 -0.11 5.43 1.43 -0.43 -0.70 118.68 126.67 2qle s LEU 42 Ca -0.00 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 52.70 2qle s LEU 42 Cb -0.13 -0.74 0.04 0.00 0.03 0.00 0.00 46.19 45.38 2qle s LEU 42 CO 0.02 0.13 0.00 -0.89 0.23 0.00 0.00 176.35 175.83 2qle s THR 43 N -0.60 0.51 0.06 5.49 2.01 -0.63 -1.33 115.64 121.14 2qle s THR 43 Ca 0.05 -0.12 0.00 0.00 0.31 0.00 0.00 61.69 61.92 2qle s THR 43 Cb -0.07 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 2qle s THR 43 CO 0.00 0.14 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.27 2qle s LEU 44 N 1.90 2.41 -0.02 4.42 1.43 0.45 -1.34 118.68 127.93 2qle s LEU 44 Ca 0.03 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2qle s LEU 44 Cb -0.14 0.06 0.01 0.00 0.03 0.00 0.00 46.19 46.15 2qle s LEU 44 CO -0.06 -0.45 -0.06 -0.75 0.23 0.00 0.00 176.35 175.26 2qle s LYS 45 N -3.05 0.73 0.01 1.70 2.20 -0.17 -0.79 119.74 120.36 2qle s LYS 45 Ca 0.01 -0.19 0.08 0.00 -0.36 0.00 0.00 55.97 55.50 2qle s LYS 45 Cb 0.01 -0.71 -0.02 0.00 -1.51 0.00 0.00 37.83 35.60 2qle s LYS 45 CO -0.05 0.05 -0.24 -0.06 -0.36 0.00 0.00 175.35 174.68 2qle s PHE 46 N 0.34 2.14 -0.04 4.03 0.40 -0.08 -1.09 117.98 123.69 2qle s PHE 46 Ca -0.04 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 55.92 2qle s PHE 46 Cb -0.09 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.10 2qle s PHE 46 CO 0.00 0.02 -0.13 0.42 0.70 0.00 0.00 175.22 176.24 2qle s ILE 47 N -0.65 1.07 -0.20 0.64 1.01 0.28 -1.34 121.20 122.01 2qle s ILE 47 Ca 0.10 -0.52 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 2qle s ILE 47 Cb -0.09 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.43 2qle s ILE 47 CO 0.00 0.32 0.86 0.00 0.00 0.00 0.00 174.94 176.12 2qle n THR 49 N 4.96 0.27 -0.40 0.00 -2.24 -0.48 -4.17 114.28 112.23 2qle n THR 49 Ca 0.06 -0.63 0.08 0.00 -2.27 0.00 0.00 64.05 61.29 2qle n THR 49 Cb 0.48 1.20 0.25 0.00 -2.10 0.00 0.00 70.33 70.16 2qle n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qle n THR 50 N 1.41 1.29 0.00 4.28 -2.24 -1.25 -4.98 114.28 112.79 2qle n THR 50 Ca 0.17 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 2qle n THR 50 Cb 0.60 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2qle n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qle n GLY 51 N 0.85 0.18 3.77 3.38 0.00 -1.26 -4.97 105.19 107.13 2qle n GLY 51 Ca 0.19 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 2qle n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qle s LYS 52 N 0.00 4.48 -0.08 1.61 2.47 -1.26 -4.55 119.74 122.41 2qle s LYS 52 Ca 0.00 1.72 -0.30 0.00 -1.56 0.00 0.00 55.97 55.83 2qle s LYS 52 Cb 0.00 -2.98 -0.02 0.00 -1.46 0.00 0.00 37.83 33.37 2qle s LYS 52 CO 0.00 0.09 1.13 -1.17 0.16 0.00 0.00 175.35 175.56 2qle s LEU 53 N -1.84 4.26 0.00 5.43 2.96 -1.26 -4.92 118.68 123.32 2qle s LEU 53 Ca 0.49 1.71 0.22 0.00 -0.22 0.00 0.00 54.13 56.33 2qle s LEU 53 Cb -0.29 -3.56 0.98 0.00 0.50 0.00 0.00 46.19 43.82 2qle s LEU 53 CO 0.37 -0.54 1.71 -0.81 -1.32 0.00 0.00 176.35 175.76 2qle n PRO 54 N 5.19 0.06 -4.29 0.98 -0.04 -1.26 -4.80 135.00 130.84 2qle n PRO 54 Ca 0.10 0.11 -0.16 0.00 -0.04 0.00 0.00 63.50 63.52 2qle n PRO 54 Cb 0.47 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 2qle n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2qle s VAL 55 N -2.92 0.96 0.46 0.52 -7.23 -1.26 -4.63 120.40 106.31 2qle s VAL 55 Ca 0.13 -2.02 -0.23 0.00 -1.81 0.00 0.00 61.98 58.04 2qle s VAL 55 Cb 0.15 -2.19 -0.07 0.00 0.56 0.00 0.00 36.38 34.83 2qle s VAL 55 CO 0.39 -0.44 1.24 -2.84 -0.31 0.00 0.00 175.10 173.13 2qle s PRO 56 N -3.86 3.68 0.17 4.82 0.02 -1.26 -4.90 135.00 133.67 2qle s PRO 56 Ca 0.25 1.96 -0.16 0.00 0.02 0.00 0.00 61.00 63.07 2qle s PRO 56 Cb 0.05 -2.46 0.10 0.00 0.02 0.00 0.00 34.50 32.21 2qle s PRO 56 CO 0.06 -0.67 1.69 -1.49 -0.33 0.00 0.00 177.00 176.26 2qle h TRP 57 N 2.08 -0.08 -0.45 6.54 4.06 -1.96 -1.59 115.95 124.55 2qle h TRP 57 Ca -0.50 0.03 0.13 0.00 2.06 0.00 0.00 58.89 60.62 2qle h TRP 57 Cb 1.26 0.10 -0.02 0.00 -1.00 0.00 0.00 29.16 29.50 2qle h TRP 57 CO 0.52 -0.11 0.38 -1.35 -3.56 0.00 0.00 178.44 174.31 2qle h PRO 58 N 0.07 0.00 0.00 0.49 0.11 -1.90 -0.19 132.00 130.58 2qle h PRO 58 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2qle h PRO 58 Cb 0.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.39 2qle h PRO 58 CO -0.35 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.23 2qle h THR 59 N 0.00 0.00 -0.17 -1.15 1.35 -1.65 -2.73 112.91 108.56 2qle h THR 59 Ca 0.21 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2qle h THR 59 Cb 0.97 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2qle h THR 59 CO -0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 2qle n LEU 60 N -2.56 3.09 -0.09 3.87 4.77 -0.08 -4.58 117.00 121.42 2qle n LEU 60 Ca 0.01 -1.21 -0.06 0.00 -0.03 0.00 0.00 56.01 54.72 2qle n LEU 60 Cb 0.24 -0.10 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2qle n LEU 60 CO 0.22 0.59 0.87 0.58 -1.33 0.00 0.00 177.39 178.32 2qle h VAL 61 N 4.35 0.79 0.00 4.08 2.07 -1.51 -1.59 116.25 124.44 2qle h VAL 61 Ca 0.00 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 2qle h VAL 61 Cb 0.94 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2qle h VAL 61 CO 0.00 0.02 -0.13 0.71 0.02 0.00 0.00 177.57 178.19 2qle h THR 62 N 0.12 0.36 -0.10 2.57 1.35 -1.81 -2.90 112.91 112.50 2qle h THR 62 Ca 0.16 -0.79 -0.11 0.00 -0.55 0.00 0.00 66.41 65.12 2qle h THR 62 Cb 0.20 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 2qle h THR 62 CO -0.24 0.13 -0.37 0.74 -0.25 0.00 0.00 175.52 175.53 2qle h THR 63 N 0.00 1.39 0.00 6.82 2.02 -1.63 -3.46 112.91 118.05 2qle h THR 63 Ca -0.00 -1.71 -0.31 0.00 0.77 0.00 0.00 66.41 65.16 2qle h THR 63 Cb 0.57 2.19 0.01 0.00 -1.74 0.00 0.00 68.15 69.18 2qle h THR 63 CO 0.02 0.50 2.10 0.49 0.37 0.00 0.00 175.52 179.00 2qle n PHE 64 N -4.36 1.06 0.00 3.16 3.72 -0.69 -5.04 117.46 115.31 2qle n PHE 64 Ca -0.08 -1.69 0.00 0.00 -0.05 0.00 0.00 57.45 55.64 2qle n PHE 64 Cb 0.52 -1.50 0.00 0.00 -0.94 0.00 0.00 39.48 37.56 2qle n PHE 64 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 2qle n VAL 68 N 4.01 0.00 0.25 -4.37 0.24 -1.26 -5.01 118.33 112.19 2qle n VAL 68 Ca 0.38 0.00 0.03 0.00 -2.04 0.00 0.00 64.34 62.71 2qle n VAL 68 Cb 0.18 0.00 0.14 0.00 -1.47 0.00 0.00 33.84 32.69 2qle n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qle n GLN 69 N 0.00 0.06 0.02 7.34 6.02 -1.26 -0.63 117.38 128.93 2qle n GLN 69 Ca 0.00 0.28 0.09 0.00 -0.01 0.00 0.00 57.00 57.36 2qle n GLN 69 Cb 0.00 -1.50 0.38 0.00 1.02 0.00 0.00 30.24 30.14 2qle n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qle n PHE 71 N -1.63 0.42 -2.09 0.00 3.72 0.20 -4.72 117.46 113.36 2qle n PHE 71 Ca 0.04 -0.21 -0.35 0.00 -0.05 0.00 0.00 57.45 56.88 2qle n PHE 71 Cb 0.21 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.77 2qle n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2qle s SER 72 N -1.26 5.47 -0.35 4.37 0.01 -0.80 -4.03 113.70 117.11 2qle s SER 72 Ca 0.30 2.16 -0.18 0.00 1.31 0.00 0.00 55.95 59.55 2qle s SER 72 Cb 0.16 -2.58 -0.00 0.00 0.21 0.00 0.00 66.02 63.81 2qle s SER 72 CO 0.23 -1.39 0.49 -0.60 0.41 0.00 0.00 173.24 172.38 2qle s ARG 73 N -3.51 3.60 -0.27 12.44 3.52 -0.49 -4.74 118.95 129.51 2qle s ARG 73 Ca 0.72 -0.21 -0.12 0.00 -0.13 0.00 0.00 55.73 55.99 2qle s ARG 73 Cb -0.24 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.29 2qle s ARG 73 CO 0.32 -0.63 0.22 0.71 -0.81 0.00 0.00 175.30 175.11 2qle s TYR 74 N 2.32 3.25 0.70 5.12 1.51 -1.26 -1.00 117.35 128.00 2qle s TYR 74 Ca 0.17 0.21 -0.16 0.00 -1.01 0.00 0.00 57.07 56.28 2qle s TYR 74 Cb -0.16 -2.39 0.02 0.00 -0.11 0.00 0.00 41.96 39.33 2qle s TYR 74 CO 0.13 -0.11 1.20 -2.14 -1.11 0.00 0.00 175.55 173.52 2qle s PRO 75 N 1.63 2.33 0.27 -1.71 0.02 -1.26 -4.76 135.00 131.52 2qle s PRO 75 Ca 0.09 1.75 0.00 0.00 0.02 0.00 0.00 61.00 62.86 2qle s PRO 75 Cb -0.15 -1.86 0.62 0.00 0.02 0.00 0.00 34.50 33.13 2qle s PRO 75 CO 0.09 -1.69 1.70 -0.44 -0.33 0.00 0.00 177.00 176.33 2qle h ASP 76 N -0.07 0.25 0.02 2.53 3.32 -2.00 0.49 116.42 120.95 2qle h ASP 76 Ca -0.48 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2qle h ASP 76 Cb 1.29 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.98 2qle h ASP 76 CO 0.51 0.01 0.00 0.00 -1.72 0.00 0.00 179.24 178.04 2qle n HIS 77 N -5.06 0.00 0.06 4.55 1.44 -1.26 -2.01 115.22 112.94 2qle n HIS 77 Ca 0.19 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.92 2qle n HIS 77 Cb 0.56 -0.02 0.04 0.00 0.12 0.00 0.00 29.99 30.70 2qle n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 2qle n MET 78 N -1.02 1.26 -0.36 -1.40 2.81 0.17 -4.80 117.12 113.77 2qle n MET 78 Ca 0.13 -1.24 0.26 0.00 -1.81 0.00 0.00 57.70 55.04 2qle n MET 78 Cb 0.07 -1.10 0.53 0.00 -0.71 0.00 0.00 33.22 32.01 2qle n MET 78 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2qle h LYS 79 N 0.87 0.30 0.00 0.03 3.64 -1.15 0.45 116.57 120.71 2qle h LYS 79 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2qle h LYS 79 Cb 0.39 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2qle h LYS 79 CO 0.00 0.20 0.00 2.89 -2.27 0.00 0.00 179.45 180.27 2qle n ARG 80 N -4.75 0.87 -0.20 1.90 1.85 -1.26 -2.59 116.66 112.48 2qle n ARG 80 Ca 0.30 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 57.22 2qle n ARG 80 Cb 1.04 -1.46 0.18 0.00 -1.05 0.00 0.00 32.46 31.16 2qle n ARG 80 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2qle n HIS 81 N -0.96 0.53 -2.85 2.89 8.25 0.15 -4.67 115.22 118.55 2qle n HIS 81 Ca 0.19 -0.44 -0.43 0.00 -0.26 0.00 0.00 57.72 56.78 2qle n HIS 81 Cb 0.09 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.17 2qle n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2qle s ASP 82 N -1.02 6.79 0.21 0.41 -1.08 -1.07 -4.56 116.67 116.34 2qle s ASP 82 Ca 0.28 -2.35 -0.08 0.00 -0.52 0.00 0.00 52.55 49.88 2qle s ASP 82 Cb 0.15 -2.44 0.13 0.00 -1.46 0.00 0.00 42.92 39.31 2qle s ASP 82 CO 0.20 -1.01 1.74 0.15 0.52 0.00 0.00 175.17 176.77 2qle h PHE 83 N 8.22 1.21 -0.31 -5.34 3.57 -1.89 -2.89 116.94 119.52 2qle h PHE 83 Ca 0.25 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.65 2qle h PHE 83 Cb 0.95 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 2qle h PHE 83 CO 1.18 0.95 0.13 0.74 -2.23 0.00 0.00 178.31 179.09 2qle h PHE 84 N 1.12 0.24 -0.32 0.41 0.04 -1.90 -2.76 116.94 113.78 2qle h PHE 84 Ca 0.24 0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.87 2qle h PHE 84 Cb 0.31 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 2qle h PHE 84 CO 0.03 0.12 -0.43 0.87 -0.60 0.00 0.00 178.31 178.30 2qle h LYS 85 N 0.29 0.80 -0.37 1.51 1.57 -1.84 -3.18 116.57 115.36 2qle h LYS 85 Ca 0.13 -0.44 0.11 0.00 -1.87 0.00 0.00 60.65 58.58 2qle h LYS 85 Cb 0.08 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2qle h LYS 85 CO -0.11 1.07 0.29 0.66 -0.57 0.00 0.00 179.45 180.79 2qle h SER 86 N 0.65 0.00 0.75 0.86 4.64 -1.27 3.93 113.55 123.10 2qle h SER 86 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2qle h SER 86 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2qle h SER 86 CO 0.10 0.00 -0.19 0.00 -0.87 0.00 0.00 176.83 175.86 2qle n ALA 87 N -2.53 2.82 -1.96 5.18 0.00 -1.07 -4.17 120.51 118.77 2qle n ALA 87 Ca 0.06 -0.21 -0.31 0.00 0.00 0.00 0.00 53.44 52.99 2qle n ALA 87 Cb 0.47 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 2qle n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2qle s MET 88 N -2.95 3.68 0.00 0.00 1.00 -0.52 -1.38 119.30 119.13 2qle s MET 88 Ca 0.14 0.67 0.28 0.00 0.00 0.00 0.00 55.69 56.79 2qle s MET 88 Cb 0.19 -2.17 1.08 0.00 0.00 0.00 0.00 34.83 33.93 2qle s MET 88 CO 0.59 -0.40 1.82 -0.35 0.00 0.00 0.00 175.02 176.67 2qle n PRO 89 N -2.30 0.03 0.24 2.03 -0.04 -1.26 -1.02 135.00 132.68 2qle n PRO 89 Ca 0.05 -0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.58 2qle n PRO 89 Cb 0.54 -1.50 0.59 0.00 -0.04 0.00 0.00 33.50 33.09 2qle n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2qle h GLU 90 N 0.01 0.00 0.00 0.54 5.08 -1.90 -2.04 114.58 116.27 2qle h GLU 90 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qle h GLU 90 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2qle h GLU 90 CO 0.00 0.11 0.00 0.41 -1.00 0.00 0.00 179.01 178.53 2qle n GLY 91 N -1.16 -2.93 3.13 -3.84 0.00 -0.48 -4.61 105.19 95.30 2qle n GLY 91 Ca -0.03 -1.95 -0.09 0.00 0.00 0.00 0.00 46.02 43.95 2qle n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2qle s TYR 92 N -0.54 0.21 -0.08 1.61 -0.85 -0.36 -0.35 117.35 116.98 2qle s TYR 92 Ca 0.00 -0.55 -0.13 0.00 -0.52 0.00 0.00 57.07 55.87 2qle s TYR 92 Cb 0.00 -0.14 -0.05 0.00 0.38 0.00 0.00 41.96 42.15 2qle s TYR 92 CO 0.00 -0.40 0.33 0.08 -1.52 0.00 0.00 175.55 174.04 2qle s VAL 93 N -2.94 5.21 -0.14 -3.49 1.01 0.68 -1.51 120.40 119.22 2qle s VAL 93 Ca -0.02 0.65 0.01 0.00 0.00 0.00 0.00 61.98 62.62 2qle s VAL 93 Cb 0.01 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.76 2qle s VAL 93 CO -0.06 0.50 -0.16 -1.58 0.00 0.00 0.00 175.10 173.80 2qle s GLN 94 N -0.40 2.44 0.02 2.72 0.74 0.20 -1.53 119.66 123.86 2qle s GLN 94 Ca 0.20 -0.62 0.09 0.00 0.05 0.00 0.00 55.36 55.08 2qle s GLN 94 Cb -0.15 -2.15 -0.03 0.00 1.10 0.00 0.00 33.01 31.79 2qle s GLN 94 CO 0.08 -0.17 -0.26 -1.21 -0.55 0.00 0.00 175.29 173.18 2qle s GLU 95 N 1.29 1.87 0.07 1.67 2.02 0.42 -0.25 118.70 125.78 2qle s GLU 95 Ca 0.01 -1.04 -0.04 0.00 0.02 0.00 0.00 54.97 53.93 2qle s GLU 95 Cb -0.14 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 32.11 2qle s GLU 95 CO -0.08 0.52 0.05 1.03 0.02 0.00 0.00 175.26 176.80 2qle s ARG 96 N -1.03 0.71 -0.05 1.61 0.52 -0.85 0.04 118.95 119.90 2qle s ARG 96 Ca 0.11 -1.14 0.04 0.00 -0.52 0.00 0.00 55.73 54.21 2qle s ARG 96 Cb -0.10 0.26 -0.00 0.00 0.52 0.00 0.00 34.95 35.63 2qle s ARG 96 CO 0.01 -0.17 -0.16 0.99 0.02 0.00 0.00 175.30 175.99 2qle s THR 97 N -3.91 1.34 -0.20 0.02 2.01 -0.21 -1.19 115.64 113.49 2qle s THR 97 Ca 0.07 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.43 2qle s THR 97 Cb 0.07 -1.17 0.04 0.00 0.01 0.00 0.00 72.50 71.45 2qle s THR 97 CO -0.10 0.39 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.47 2qle s ILE 98 N 0.15 1.81 -0.38 1.82 1.01 0.24 -1.40 121.20 124.45 2qle s ILE 98 Ca -0.06 -1.09 -0.15 0.00 0.00 0.00 0.00 60.65 59.35 2qle s ILE 98 Cb -0.12 -1.83 0.01 0.00 0.01 0.00 0.00 42.46 40.52 2qle s ILE 98 CO 0.02 0.22 0.33 -0.36 0.00 0.00 0.00 174.94 175.14 2qle s PHE 99 N 1.33 3.22 -0.22 3.97 0.40 0.44 -1.25 117.98 125.87 2qle s PHE 99 Ca -0.01 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 55.67 2qle s PHE 99 Cb -0.16 -2.64 0.01 0.00 0.51 0.00 0.00 43.02 40.73 2qle s PHE 99 CO -0.09 -0.53 1.07 -0.06 0.70 0.00 0.00 175.22 176.31 2qle s PHE 100 N 1.84 3.27 0.02 0.36 0.40 -0.88 -1.11 117.98 121.89 2qle s PHE 100 Ca 0.08 1.41 -0.36 0.00 -0.60 0.00 0.00 56.93 57.46 2qle s PHE 100 Cb -0.18 -3.30 -0.14 0.00 0.51 0.00 0.00 43.02 39.91 2qle s PHE 100 CO 0.11 -0.65 1.60 1.17 0.70 0.00 0.00 175.22 178.15 2qle n LYS 101 N 6.34 1.74 -1.88 0.44 3.00 -0.84 -0.71 118.16 126.23 2qle n LYS 101 Ca 0.12 0.63 -0.19 0.00 -0.00 0.00 0.00 58.31 58.87 2qle n LYS 101 Cb 0.46 -2.37 -0.05 0.00 0.00 0.00 0.00 35.03 33.07 2qle n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2qle n ASP 102 N 4.17 -5.33 -0.79 3.14 8.00 -1.26 -4.84 116.55 119.64 2qle n ASP 102 Ca 0.20 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.96 2qle n ASP 102 Cb 0.24 -4.44 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 2qle n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2qle n ASP 103 N -1.26 0.00 -2.55 -2.24 -0.08 0.11 -4.94 116.55 105.59 2qle n ASP 103 Ca -0.20 -0.79 0.00 0.00 -1.51 0.00 0.00 54.79 52.29 2qle n ASP 103 Cb 0.64 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.10 2qle n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qle n GLY 104 N 0.00 -1.70 3.08 0.27 0.00 -1.07 -4.54 105.19 101.23 2qle n GLY 104 Ca 0.00 -1.54 -0.08 0.00 0.00 0.00 0.00 46.02 44.40 2qle n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qle s ASN 105 N -1.26 0.36 -0.00 1.61 2.20 0.04 -2.06 114.94 115.82 2qle s ASN 105 Ca 0.00 -0.80 0.01 0.00 -0.94 0.00 0.00 52.86 51.14 2qle s ASN 105 Cb 0.00 0.19 -0.04 0.00 -2.00 0.00 0.00 41.25 39.40 2qle s ASN 105 CO 0.00 -0.53 0.00 -0.31 -2.94 0.00 0.00 177.10 173.33 2qle s TYR 106 N -3.17 3.08 -0.08 1.54 2.02 -0.38 -1.21 117.35 119.15 2qle s TYR 106 Ca -0.00 0.09 0.01 0.00 -0.37 0.00 0.00 57.07 56.80 2qle s TYR 106 Cb 0.02 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.93 2qle s TYR 106 CO -0.07 0.46 -0.11 0.15 -1.57 0.00 0.00 175.55 174.41 2qle s LYS 107 N -1.55 1.67 0.09 -0.62 1.02 -0.44 0.82 119.74 120.73 2qle s LYS 107 Ca 0.19 -0.37 0.03 0.00 0.02 0.00 0.00 55.97 55.85 2qle s LYS 107 Cb -0.12 -1.49 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 2qle s LYS 107 CO 0.10 -0.07 -0.10 0.95 -0.92 0.00 0.00 175.35 175.31 2qle s THR 108 N 1.00 0.88 -0.02 2.17 -4.23 -0.34 -1.67 115.64 113.43 2qle s THR 108 Ca -0.08 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 2qle s THR 108 Cb -0.15 -1.24 0.03 0.00 1.34 0.00 0.00 72.50 72.48 2qle s THR 108 CO -0.00 -0.52 0.01 -0.60 -0.54 0.00 0.00 174.62 172.96 2qle s ARG 109 N -2.59 0.17 0.06 3.99 3.52 -0.19 -2.01 118.95 121.89 2qle s ARG 109 Ca 0.03 0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.75 2qle s ARG 109 Cb -0.04 -0.38 -0.03 0.00 -1.56 0.00 0.00 34.95 32.94 2qle s ARG 109 CO -0.00 -0.14 -0.05 0.00 -0.81 0.00 0.00 175.30 174.30 2qle s ALA 110 N 0.98 0.58 -0.14 6.12 0.00 0.65 -1.34 121.76 128.62 2qle s ALA 110 Ca -0.09 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.89 2qle s ALA 110 Cb -0.13 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.15 2qle s ALA 110 CO -0.02 -0.19 -0.20 -1.21 0.00 0.00 0.00 175.76 174.14 2qle s GLU 111 N -2.73 2.84 -0.20 0.00 2.02 -0.63 0.60 118.70 120.60 2qle s GLU 111 Ca -0.01 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.20 2qle s GLU 111 Cb -0.02 -2.32 0.03 0.00 0.10 0.00 0.00 34.13 31.92 2qle s GLU 111 CO -0.04 -0.04 -0.17 0.08 0.02 0.00 0.00 175.26 175.11 2qle s VAL 112 N 0.88 2.04 0.20 2.63 1.01 -0.57 -0.89 120.40 125.70 2qle s VAL 112 Ca -0.06 -1.07 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 2qle s VAL 112 Cb -0.15 -1.92 0.05 0.00 0.00 0.00 0.00 36.38 34.36 2qle s VAL 112 CO -0.03 0.41 0.74 -1.59 0.00 0.00 0.00 175.10 174.63 2qle s LYS 113 N 1.27 1.46 0.29 2.72 -2.85 -0.72 -1.23 119.74 120.68 2qle s LYS 113 Ca 0.02 -0.72 -0.24 0.00 -1.00 0.00 0.00 55.97 54.03 2qle s LYS 113 Cb -0.15 0.55 -0.09 0.00 -2.06 0.00 0.00 37.83 36.08 2qle s LYS 113 CO -0.11 -0.66 0.87 -0.06 0.10 0.00 0.00 175.35 175.49 2qle s PHE 114 N -3.70 3.67 -0.40 1.78 0.08 -0.77 -1.41 117.98 117.24 2qle s PHE 114 Ca 0.08 1.65 0.01 0.00 0.12 0.00 0.00 56.93 58.79 2qle s PHE 114 Cb -0.03 -2.82 0.13 0.00 -0.57 0.00 0.00 43.02 39.72 2qle s PHE 114 CO -0.01 0.25 0.20 -1.21 -0.10 0.00 0.00 175.22 174.35 2qle s GLU 115 N -2.04 1.05 4.05 0.44 2.02 0.05 -4.93 118.70 119.34 2qle s GLU 115 Ca 0.48 -1.70 0.00 0.00 0.02 0.00 0.00 54.97 53.77 2qle s GLU 115 Cb -0.18 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 31.94 2qle s GLU 115 CO 0.23 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.79 2qle n GLY 116 N 3.91 0.44 1.44 -1.39 0.00 -1.26 -2.57 105.19 105.76 2qle n GLY 116 Ca 0.07 -0.95 0.10 0.00 0.00 0.00 0.00 46.02 45.24 2qle n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qle n ASP 117 N 4.42 4.21 -4.57 1.61 8.00 -1.26 -4.92 116.55 124.05 2qle n ASP 117 Ca 0.00 -2.19 -0.34 0.00 0.71 0.00 0.00 54.79 52.97 2qle n ASP 117 Cb 0.00 -0.52 -0.11 0.00 -0.02 0.00 0.00 41.12 40.47 2qle n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qle s THR 118 N -1.40 4.17 -0.22 -3.53 2.01 -1.06 -4.14 115.64 111.46 2qle s THR 118 Ca 0.49 -0.27 -0.21 0.00 0.31 0.00 0.00 61.69 62.01 2qle s THR 118 Cb 0.28 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 2qle s THR 118 CO 0.29 0.51 0.66 -0.22 -0.69 0.00 0.00 174.62 175.17 2qle s LEU 119 N 0.08 4.11 -0.06 4.42 1.98 0.16 -0.77 118.68 128.60 2qle s LEU 119 Ca 0.01 0.82 0.06 0.00 -2.89 0.00 0.00 54.13 52.13 2qle s LEU 119 Cb -0.13 -2.92 -0.01 0.00 0.66 0.00 0.00 46.19 43.78 2qle s LEU 119 CO 0.02 -0.33 -0.23 -0.69 -1.89 0.00 0.00 176.35 173.23 2qle s VAL 120 N 2.21 2.24 -0.29 1.68 1.01 -0.50 -0.80 120.40 125.95 2qle s VAL 120 Ca 0.29 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2qle s VAL 120 Cb -0.16 -1.83 0.07 0.00 0.00 0.00 0.00 36.38 34.47 2qle s VAL 120 CO 0.10 0.57 -0.05 0.21 0.00 0.00 0.00 175.10 175.92 2qle s ASN 121 N -0.25 4.57 -0.22 3.32 2.47 -0.58 -1.76 114.94 122.49 2qle s ASN 121 Ca -0.01 -1.64 -0.06 0.00 0.42 0.00 0.00 52.86 51.58 2qle s ASN 121 Cb -0.13 -1.58 -0.02 0.00 -1.45 0.00 0.00 41.25 38.06 2qle s ASN 121 CO 0.03 -0.25 0.01 -0.13 -3.72 0.00 0.00 177.10 173.04 2qle s ARG 122 N 1.04 3.60 0.07 0.43 0.52 -0.07 -1.99 118.95 122.54 2qle s ARG 122 Ca -0.03 -0.52 0.07 0.00 -0.52 0.00 0.00 55.73 54.74 2qle s ARG 122 Cb -0.20 -3.14 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 2qle s ARG 122 CO -0.06 -0.07 -0.20 0.42 0.02 0.00 0.00 175.30 175.41 2qle s ILE 123 N 1.24 1.63 -0.10 1.52 1.09 0.17 -1.61 121.20 125.15 2qle s ILE 123 Ca 0.04 -1.32 0.03 0.00 -1.10 0.00 0.00 60.65 58.29 2qle s ILE 123 Cb -0.15 -1.45 0.01 0.00 -1.06 0.00 0.00 42.46 39.81 2qle s ILE 123 CO 0.01 0.08 -0.20 -1.61 -0.10 0.00 0.00 174.94 173.12 2qle s GLU 124 N -1.48 2.66 -0.02 2.79 0.41 -0.45 -1.47 118.70 121.13 2qle s GLU 124 Ca 0.06 -0.74 0.02 0.00 -0.41 0.00 0.00 54.97 53.91 2qle s GLU 124 Cb -0.09 -2.08 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 2qle s GLU 124 CO 0.03 0.08 -0.08 -1.17 -0.49 0.00 0.00 175.26 173.63 2qle s LEU 125 N 0.58 1.79 -0.05 1.80 0.20 -0.82 -1.03 118.68 121.15 2qle s LEU 125 Ca -0.14 -0.16 0.02 0.00 0.69 0.00 0.00 54.13 54.54 2qle s LEU 125 Cb -0.17 -0.47 0.01 0.00 -0.43 0.00 0.00 46.19 45.14 2qle s LEU 125 CO 0.05 0.05 -0.09 -1.59 -0.29 0.00 0.00 176.35 174.48 2qle s LYS 126 N 0.19 1.27 0.01 1.98 0.00 -0.67 -1.24 119.74 121.27 2qle s LYS 126 Ca -0.03 -0.30 0.08 0.00 0.00 0.00 0.00 55.97 55.73 2qle s LYS 126 Cb -0.08 -1.12 -0.02 0.00 0.00 0.00 0.00 37.83 36.61 2qle s LYS 126 CO 0.00 0.02 -0.26 0.20 0.00 0.00 0.00 175.35 175.31 2qle s GLY 127 N 0.61 1.31 0.06 0.59 0.00 0.26 -1.33 107.32 108.82 2qle s GLY 127 Ca -0.11 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.41 2qle s GLY 127 CO 0.02 -1.01 0.04 -1.50 0.00 0.00 0.00 173.10 170.65 2qle s ILE 128 N -0.69 0.19 -1.61 0.90 1.10 -0.35 -0.30 121.20 120.44 2qle s ILE 128 Ca 0.11 -1.61 0.00 0.00 -0.51 0.00 0.00 60.65 58.63 2qle s ILE 128 Cb -0.10 -1.48 0.00 0.00 0.15 0.00 0.00 42.46 41.03 2qle s ILE 128 CO 0.00 -0.87 0.00 0.47 -2.11 0.00 0.00 174.94 172.43 2qle n ASP 129 N 0.05 -5.05 -4.75 4.50 8.00 -1.26 -0.78 116.55 117.25 2qle n ASP 129 Ca -0.14 0.17 -0.40 0.00 0.71 0.00 0.00 54.79 55.13 2qle n ASP 129 Cb 0.62 -4.10 -0.06 0.00 -0.02 0.00 0.00 41.12 37.56 2qle n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2qle s PHE 130 N -2.76 3.93 0.09 1.24 0.40 -1.26 -2.58 117.98 117.03 2qle s PHE 130 Ca 0.00 1.81 -0.30 0.00 -0.60 0.00 0.00 56.93 57.84 2qle s PHE 130 Cb 0.00 -2.93 -0.06 0.00 0.51 0.00 0.00 43.02 40.54 2qle s PHE 130 CO 0.00 0.43 1.19 0.15 0.70 0.00 0.00 175.22 177.68 2qle s LYS 131 N -0.94 4.46 0.65 0.44 1.02 -1.26 -4.88 119.74 119.22 2qle s LYS 131 Ca 0.40 1.78 0.33 0.00 0.02 0.00 0.00 55.97 58.50 2qle s LYS 131 Cb -0.25 -3.33 1.78 0.00 -0.52 0.00 0.00 37.83 35.52 2qle s LYS 131 CO 0.30 -0.20 2.04 1.05 -0.92 0.00 0.00 175.35 177.61 2qle h GLU 132 N 6.44 0.00 0.00 1.68 -0.00 -1.96 -1.57 114.58 119.17 2qle h GLU 132 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.94 2qle h GLU 132 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 2qle h GLU 132 CO 0.79 0.00 -0.04 -0.40 -0.00 0.00 0.00 179.01 179.37 2qle n ASP 133 N -3.14 1.47 -3.47 3.06 5.75 -1.26 -4.01 116.55 114.95 2qle n ASP 133 Ca -0.01 -1.96 -0.21 0.00 -0.01 0.00 0.00 54.79 52.60 2qle n ASP 133 Cb 0.34 -0.09 0.14 0.00 -1.03 0.00 0.00 41.12 40.48 2qle n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qle n GLY 134 N -0.51 -1.13 0.35 6.12 0.00 -0.59 -4.67 105.19 104.75 2qle n GLY 134 Ca 0.03 -1.74 0.18 0.00 0.00 0.00 0.00 46.02 44.48 2qle n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2qle h ASN 135 N -1.18 0.00 0.00 1.61 2.35 -1.92 0.23 115.58 116.68 2qle h ASN 135 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 2qle h ASN 135 Cb 0.88 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.25 2qle h ASN 135 CO 0.23 0.00 0.00 -0.38 -1.65 0.00 0.00 177.43 175.63 2qle n ILE 136 N -3.71 0.00 0.27 2.81 -0.00 -1.26 -1.59 119.36 115.88 2qle n ILE 136 Ca 0.02 0.31 0.13 0.00 -0.00 0.00 0.00 62.75 63.21 2qle n ILE 136 Cb 0.38 -1.01 0.77 0.00 -0.00 0.00 0.00 39.64 39.78 2qle n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2qle h LEU 137 N 0.00 0.00 -0.20 1.39 3.38 -1.76 -0.29 115.31 117.83 2qle h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qle h LEU 137 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qle h LEU 137 CO 0.00 0.09 -0.05 0.61 0.09 0.00 0.00 178.44 179.18 2qle n GLY 138 N -0.89 -0.93 3.70 0.83 0.00 0.07 -4.88 105.19 103.10 2qle n GLY 138 Ca -0.02 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 2qle n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qle n HIS 139 N -0.91 -1.91 -0.19 1.61 8.25 -0.12 -4.90 115.22 117.06 2qle n HIS 139 Ca 0.17 0.71 0.09 0.00 -0.26 0.00 0.00 57.72 58.43 2qle n HIS 139 Cb 0.23 -3.98 0.23 0.00 1.12 0.00 0.00 29.99 27.59 2qle n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2qle n LYS 140 N -4.18 2.69 -3.40 -0.41 5.02 -0.62 -4.98 118.16 112.27 2qle n LYS 140 Ca -0.22 -2.29 -0.37 0.00 -2.02 0.00 0.00 58.31 53.40 2qle n LYS 140 Cb 0.65 -1.41 -0.06 0.00 -0.02 0.00 0.00 35.03 34.19 2qle n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2qle s LEU 141 N -1.04 4.44 0.75 -0.35 1.43 -1.25 -1.27 118.68 121.39 2qle s LEU 141 Ca 0.35 1.07 -0.11 0.00 -1.03 0.00 0.00 54.13 54.41 2qle s LEU 141 Cb 0.18 -2.91 0.04 0.00 0.03 0.00 0.00 46.19 43.53 2qle s LEU 141 CO 0.24 0.23 1.08 -1.61 0.23 0.00 0.00 176.35 176.52 2qle s GLU 142 N -1.43 2.49 -1.24 1.70 2.02 0.04 -4.84 118.70 117.45 2qle s GLU 142 Ca 0.30 1.06 -0.10 0.00 0.02 0.00 0.00 54.97 56.25 2qle s GLU 142 Cb -0.17 -1.93 0.19 0.00 0.10 0.00 0.00 34.13 32.32 2qle s GLU 142 CO 0.17 -1.44 1.71 0.98 0.02 0.00 0.00 175.26 176.70 2qle n TYR 143 N -3.37 3.39 -3.90 1.61 9.36 -1.26 -4.83 117.16 118.15 2qle n TYR 143 Ca 0.08 -2.93 -0.11 0.00 3.32 0.00 0.00 57.90 58.26 2qle n TYR 143 Cb 0.53 -1.91 0.01 0.00 -0.63 0.00 0.00 39.34 37.34 2qle n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2qle s ASN 144 N 0.99 0.39 -0.19 2.98 2.20 -1.26 -4.89 114.94 115.17 2qle s ASN 144 Ca 0.39 -1.33 -0.19 0.00 -0.94 0.00 0.00 52.86 50.79 2qle s ASN 144 Cb 0.06 0.80 0.05 0.00 -2.00 0.00 0.00 41.25 40.16 2qle s ASN 144 CO 0.01 -1.60 0.54 -0.47 -2.94 0.00 0.00 177.10 172.65 2qle s TYR 145 N -2.39 -0.58 0.50 1.54 5.04 -1.26 -4.83 117.35 115.37 2qle s TYR 145 Ca 0.21 1.38 0.03 0.00 -2.44 0.00 0.00 57.07 56.25 2qle s TYR 145 Cb -0.04 0.21 0.02 0.00 0.35 0.00 0.00 41.96 42.51 2qle s TYR 145 CO 0.15 -0.31 0.71 -0.80 -1.34 0.00 0.00 175.55 173.96 2qle s ASN 146 N 0.12 5.44 0.11 4.32 0.01 -1.26 -4.78 114.94 118.91 2qle s ASN 146 Ca -0.01 -0.09 -0.20 0.00 -0.71 0.00 0.00 52.86 51.85 2qle s ASN 146 Cb -0.04 -0.89 -0.07 0.00 0.41 0.00 0.00 41.25 40.66 2qle s ASN 146 CO 0.01 -0.99 0.62 -0.94 -1.51 0.00 0.00 177.10 174.29 2qle s SER 147 N -4.38 7.09 0.07 -1.22 1.04 -1.26 -4.56 113.70 110.47 2qle s SER 147 Ca 0.56 1.32 -0.01 0.00 0.48 0.00 0.00 55.95 58.30 2qle s SER 147 Cb -0.10 -2.38 -0.04 0.00 0.10 0.00 0.00 66.02 63.60 2qle s SER 147 CO 0.37 0.21 -0.02 -1.00 0.98 0.00 0.00 173.24 173.79 2qle s HIS 148 N -1.21 0.60 -0.06 5.02 3.76 -0.61 -4.99 115.29 117.80 2qle s HIS 148 Ca 0.33 -1.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.16 2qle s HIS 148 Cb -0.19 -0.41 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 2qle s HIS 148 CO 0.20 -0.39 -0.07 -0.80 -0.85 0.00 0.00 174.74 172.84 2qle s ASN 149 N -2.95 4.65 -0.22 1.40 0.02 -1.26 -0.86 114.94 115.72 2qle s ASN 149 Ca 0.10 -0.03 0.00 0.00 -1.02 0.00 0.00 52.86 51.92 2qle s ASN 149 Cb 0.08 -1.16 0.03 0.00 0.02 0.00 0.00 41.25 40.22 2qle s ASN 149 CO -0.08 0.36 -0.13 -0.69 0.02 0.00 0.00 177.10 176.58 2qle s VAL 150 N -0.83 2.42 -0.12 1.60 1.01 0.46 -4.73 120.40 120.21 2qle s VAL 150 Ca 0.13 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 60.85 2qle s VAL 150 Cb -0.11 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 2qle s VAL 150 CO 0.02 0.30 0.39 -0.31 0.00 0.00 0.00 175.10 175.50 2qle s TYR 151 N 1.27 3.52 -0.08 5.22 2.02 -1.02 -0.84 117.35 127.44 2qle s TYR 151 Ca 0.00 0.78 0.04 0.00 -0.37 0.00 0.00 57.07 57.53 2qle s TYR 151 Cb -0.16 -2.43 -0.01 0.00 -0.40 0.00 0.00 41.96 38.97 2qle s TYR 151 CO -0.08 0.27 -0.22 0.42 -1.57 0.00 0.00 175.55 174.36 2qle s ILE 152 N 0.31 2.27 0.08 2.71 1.01 0.47 -1.76 121.20 126.29 2qle s ILE 152 Ca 0.22 -0.97 0.02 0.00 0.00 0.00 0.00 60.65 59.92 2qle s ILE 152 Cb -0.14 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 2qle s ILE 152 CO 0.08 0.56 -0.08 -0.04 0.00 0.00 0.00 174.94 175.46 2qle s MET 153 N 0.03 0.76 0.43 2.79 -1.94 -0.45 -1.83 119.30 119.10 2qle s MET 153 Ca -0.09 -1.14 -0.11 0.00 -1.71 0.00 0.00 55.69 52.64 2qle s MET 153 Cb -0.15 -0.33 -0.06 0.00 2.01 0.00 0.00 34.83 36.30 2qle s MET 153 CO 0.05 0.03 0.81 0.00 -0.01 0.00 0.00 175.02 175.90 2qle s ALA 154 N -2.70 3.30 -0.36 3.03 0.00 -1.25 -0.31 121.76 123.46 2qle s ALA 154 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2qle s ALA 154 Cb -0.01 -2.77 0.12 0.00 0.00 0.00 0.00 23.12 20.46 2qle s ALA 154 CO -0.02 -0.07 0.16 0.34 0.00 0.00 0.00 175.76 176.17 2qle s ASP 155 N -3.20 3.82 0.37 0.00 2.15 0.19 -4.63 116.67 115.37 2qle s ASP 155 Ca 0.52 -2.07 0.06 0.00 0.43 0.00 0.00 52.55 51.49 2qle s ASP 155 Cb -0.10 -0.91 0.73 0.00 -0.30 0.00 0.00 42.92 42.34 2qle s ASP 155 CO 0.32 -0.35 1.96 0.07 -0.17 0.00 0.00 175.17 177.00 2qle h LYS 156 N 7.47 0.50 -0.04 4.34 2.10 -1.96 -2.35 116.57 126.64 2qle h LYS 156 Ca -0.07 -0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.52 2qle h LYS 156 Cb 0.98 -0.09 -0.04 0.00 -0.90 0.00 0.00 32.23 32.18 2qle h LYS 156 CO 0.46 0.45 -0.34 1.96 -2.00 0.00 0.00 179.45 179.99 2qle h GLN 157 N 0.50 -0.38 -0.28 0.07 7.50 -1.95 -1.73 115.11 118.84 2qle h GLN 157 Ca 0.12 0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.30 2qle h GLN 157 Cb 0.17 0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.78 2qle h GLN 157 CO -0.01 -0.25 0.00 1.63 -1.50 0.00 0.00 178.83 178.70 2qle n LYS 158 N -4.33 1.01 -2.71 1.46 4.01 -1.22 -4.87 118.16 111.51 2qle n LYS 158 Ca -0.04 -0.01 -0.16 0.00 -0.51 0.00 0.00 58.31 57.59 2qle n LYS 158 Cb 0.24 -1.14 -0.00 0.00 -0.51 0.00 0.00 35.03 33.62 2qle n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2qle n ASN 159 N -0.35 -4.06 0.00 4.39 5.15 -0.65 -4.78 115.26 114.96 2qle n ASN 159 Ca 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 2qle n ASN 159 Cb 0.07 -3.41 0.00 0.00 -0.53 0.00 0.00 39.78 35.92 2qle n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2qle n GLY 160 N -0.95 5.61 3.32 8.20 0.00 -0.90 -4.46 105.19 116.01 2qle n GLY 160 Ca -0.11 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.23 2qle n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qle s ILE 161 N -0.29 1.71 0.02 -0.61 -4.36 -0.92 0.53 121.20 117.27 2qle s ILE 161 Ca 0.00 -2.02 0.08 0.00 -0.26 0.00 0.00 60.65 58.45 2qle s ILE 161 Cb 0.00 -1.88 -0.03 0.00 1.25 0.00 0.00 42.46 41.80 2qle s ILE 161 CO 0.00 -0.46 -0.22 -0.54 0.24 0.00 0.00 174.94 173.96 2qle s LYS 162 N -3.16 2.01 -0.00 0.37 1.02 0.58 -2.06 119.74 118.50 2qle s LYS 162 Ca 0.18 -1.00 0.01 0.00 0.02 0.00 0.00 55.97 55.18 2qle s LYS 162 Cb -0.03 -2.10 -0.00 0.00 -0.52 0.00 0.00 37.83 35.18 2qle s LYS 162 CO 0.06 0.54 -0.04 0.08 -0.92 0.00 0.00 175.35 175.07 2qle s VAL 163 N -0.80 0.33 -0.09 3.17 1.01 0.34 -1.34 120.40 123.02 2qle s VAL 163 Ca 0.12 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 2qle s VAL 163 Cb -0.10 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 36.02 2qle s VAL 163 CO 0.02 0.07 0.22 0.21 0.00 0.00 0.00 175.10 175.62 2qle s ASN 164 N -0.16 -0.22 0.10 3.32 3.84 -0.72 -0.87 114.94 120.23 2qle s ASN 164 Ca 0.01 0.45 -0.26 0.00 0.21 0.00 0.00 52.86 53.27 2qle s ASN 164 Cb -0.02 0.39 0.08 0.00 -0.55 0.00 0.00 41.25 41.15 2qle s ASN 164 CO -0.00 -0.12 0.86 0.72 -2.79 0.00 0.00 177.10 175.77 2qle s PHE 165 N 0.66 -0.28 -0.14 0.43 -0.71 -1.04 -2.44 117.98 114.45 2qle s PHE 165 Ca -0.04 0.05 0.01 0.00 -1.04 0.00 0.00 56.93 55.91 2qle s PHE 165 Cb -0.06 0.59 0.02 0.00 -1.21 0.00 0.00 43.02 42.36 2qle s PHE 165 CO -0.04 -0.75 -0.16 0.21 -1.34 0.00 0.00 175.22 173.14 2qle s LYS 166 N -3.34 2.46 0.01 1.99 2.20 -1.26 -1.15 119.74 120.65 2qle s LYS 166 Ca 0.07 -0.63 -0.24 0.00 -0.36 0.00 0.00 55.97 54.81 2qle s LYS 166 Cb -0.02 -2.16 -0.05 0.00 -1.51 0.00 0.00 37.83 34.10 2qle s LYS 166 CO -0.04 -0.16 0.72 0.42 -0.36 0.00 0.00 175.35 175.92 2qle s ILE 167 N 1.26 4.85 -0.45 5.43 -1.09 0.69 -4.83 121.20 127.06 2qle s ILE 167 Ca 0.01 1.52 -0.15 0.00 -2.23 0.00 0.00 60.65 59.79 2qle s ILE 167 Cb -0.14 -4.07 0.05 0.00 -1.58 0.00 0.00 42.46 36.73 2qle s ILE 167 CO -0.08 0.34 0.37 -0.13 -1.23 0.00 0.00 174.94 174.21 2qle s ARG 168 N 0.15 2.98 -0.23 2.79 0.52 -1.26 -0.78 118.95 123.13 2qle s ARG 168 Ca 0.37 -1.18 -0.12 0.00 -0.52 0.00 0.00 55.73 54.28 2qle s ARG 168 Cb -0.19 -4.06 -0.05 0.00 0.52 0.00 0.00 34.95 31.17 2qle s ARG 168 CO 0.21 -0.91 0.24 -1.01 0.02 0.00 0.00 175.30 173.85 2qle s HIS 169 N 1.71 3.32 0.19 -0.53 3.76 -0.43 -4.48 115.29 118.84 2qle s HIS 169 Ca 0.05 0.34 -0.30 0.00 -0.15 0.00 0.00 55.06 55.00 2qle s HIS 169 Cb -0.22 -2.37 -0.08 0.00 1.11 0.00 0.00 32.58 31.02 2qle s HIS 169 CO 0.08 0.02 1.24 -0.80 -0.85 0.00 0.00 174.74 174.43 2qle s ASN 170 N 1.12 7.01 0.17 1.40 0.02 -1.26 -0.76 114.94 122.64 2qle s ASN 170 Ca 0.11 2.30 0.00 0.00 -1.02 0.00 0.00 52.86 54.26 2qle s ASN 170 Cb -0.14 -2.61 -0.04 0.00 0.02 0.00 0.00 41.25 38.48 2qle s ASN 170 CO 0.06 -0.43 0.34 -0.63 0.02 0.00 0.00 177.10 176.46 2qle s ILE 171 N -0.03 5.26 0.66 0.60 1.01 0.75 -0.78 121.20 128.66 2qle s ILE 171 Ca 0.54 -0.47 0.35 0.00 0.00 0.00 0.00 60.65 61.07 2qle s ILE 171 Cb -0.34 -3.73 0.36 0.00 0.01 0.00 0.00 42.46 38.77 2qle s ILE 171 CO 0.38 -0.11 2.10 -0.33 0.00 0.00 0.00 174.94 176.97 2qle h GLU 172 N 2.16 0.00 0.00 2.79 3.07 -1.47 -2.05 114.58 119.07 2qle h GLU 172 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 2qle h GLU 172 Cb 1.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 2qle h GLU 172 CO 0.69 0.00 -0.29 0.38 -1.40 0.00 0.00 179.01 178.39 2qle h ASP 173 N 0.00 0.00 0.00 1.42 -0.00 -1.94 -3.47 116.42 112.43 2qle h ASP 173 Ca 0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 57.03 56.98 2qle h ASP 173 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.76 2qle h ASP 173 CO -0.00 0.03 0.00 0.61 -0.00 0.00 0.00 179.24 179.88 2qle n GLY 174 N 1.27 0.85 3.51 7.15 0.00 -0.77 -5.09 105.19 112.10 2qle n GLY 174 Ca 0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.85 2qle n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qle n SER 175 N 0.00 1.13 -4.12 1.61 2.88 -1.26 -4.85 113.62 109.01 2qle n SER 175 Ca 0.00 -1.98 -0.26 0.00 -1.33 0.00 0.00 58.87 55.30 2qle n SER 175 Cb 0.00 -0.61 -0.16 0.00 -0.75 0.00 0.00 64.21 62.69 2qle n SER 175 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2qle s VAL 176 N -2.84 1.43 -0.35 2.46 1.01 -1.26 -0.18 120.40 120.67 2qle s VAL 176 Ca 0.61 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.73 2qle s VAL 176 Cb -0.03 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.10 2qle s VAL 176 CO 0.40 0.42 0.40 -1.58 0.00 0.00 0.00 175.10 174.74 2qle s GLN 177 N 0.19 3.51 0.44 2.72 2.00 0.06 -4.90 119.66 123.68 2qle s GLN 177 Ca -0.07 -0.41 -0.15 0.00 -2.00 0.00 0.00 55.36 52.74 2qle s GLN 177 Cb -0.13 -3.83 -0.08 0.00 0.80 0.00 0.00 33.01 29.78 2qle s GLN 177 CO 0.03 -0.59 0.87 -0.51 -0.50 0.00 0.00 175.29 174.58 2qle s LEU 178 N 2.11 3.79 -0.19 3.68 1.43 -1.26 -1.31 118.68 126.94 2qle s LEU 178 Ca 0.13 1.38 -0.05 0.00 -1.03 0.00 0.00 54.13 54.57 2qle s LEU 178 Cb -0.16 -4.27 0.07 0.00 0.03 0.00 0.00 46.19 41.86 2qle s LEU 178 CO 0.12 -0.44 0.12 0.00 0.23 0.00 0.00 176.35 176.39 2qle s ALA 179 N -2.40 0.29 -0.20 4.21 0.00 0.04 -1.99 121.76 121.72 2qle s ALA 179 Ca 0.56 -0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.02 2qle s ALA 179 Cb -0.10 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.86 2qle s ALA 179 CO 0.27 -1.24 0.68 0.34 0.00 0.00 0.00 175.76 175.81 2qle s ASP 180 N 2.18 6.73 -0.20 0.00 2.15 -0.27 -0.22 116.67 127.04 2qle s ASP 180 Ca 0.04 0.90 -0.06 0.00 0.43 0.00 0.00 52.55 53.86 2qle s ASP 180 Cb -0.16 -2.37 -0.03 0.00 -0.30 0.00 0.00 42.92 40.06 2qle s ASP 180 CO -0.13 -0.32 0.02 -1.00 -0.17 0.00 0.00 175.17 173.56 2qle s HIS 181 N 2.09 3.08 -0.22 -5.34 3.76 -0.30 -0.42 115.29 117.93 2qle s HIS 181 Ca 0.31 -0.34 -0.01 0.00 -0.15 0.00 0.00 55.06 54.86 2qle s HIS 181 Cb -0.16 -2.09 0.02 0.00 1.11 0.00 0.00 32.58 31.46 2qle s HIS 181 CO 0.10 -0.17 -0.10 0.71 -0.85 0.00 0.00 174.74 174.43 2qle s TYR 182 N 0.91 2.98 0.02 1.40 2.02 -0.49 -2.51 117.35 121.68 2qle s TYR 182 Ca 0.02 -1.56 0.04 0.00 -0.37 0.00 0.00 57.07 55.20 2qle s TYR 182 Cb -0.14 -2.01 -0.02 0.00 -0.40 0.00 0.00 41.96 39.39 2qle s TYR 182 CO 0.02 -0.74 -0.13 -1.14 -1.57 0.00 0.00 175.55 172.00 2qle s GLN 183 N 1.32 0.90 -0.00 -0.62 0.74 -0.05 -1.05 119.66 120.90 2qle s GLN 183 Ca 0.02 -0.63 0.02 0.00 0.05 0.00 0.00 55.36 54.82 2qle s GLN 183 Cb -0.15 -0.88 -0.00 0.00 1.10 0.00 0.00 33.01 33.07 2qle s GLN 183 CO -0.07 0.22 -0.05 1.14 -0.55 0.00 0.00 175.29 175.98 2qle s GLN 184 N -0.84 0.41 -0.05 1.67 -2.07 0.11 -0.50 119.66 118.38 2qle s GLN 184 Ca 0.02 -0.18 0.05 0.00 -1.82 0.00 0.00 55.36 53.42 2qle s GLN 184 Cb -0.07 -0.40 -0.00 0.00 -1.09 0.00 0.00 33.01 31.45 2qle s GLN 184 CO 0.01 0.11 -0.19 -0.80 -1.32 0.00 0.00 175.29 173.10 2qle s ASN 185 N -0.11 2.34 -0.02 12.60 -0.87 -0.88 -0.44 114.94 127.56 2qle s ASN 185 Ca 0.02 -0.39 0.02 0.00 -1.57 0.00 0.00 52.86 50.95 2qle s ASN 185 Cb -0.02 -0.66 0.00 0.00 -0.02 0.00 0.00 41.25 40.55 2qle s ASN 185 CO -0.00 0.17 -0.09 -0.89 -2.57 0.00 0.00 177.10 173.72 2qle s THR 186 N 0.02 0.74 0.45 1.60 2.01 -0.58 -2.16 115.64 117.71 2qle s THR 186 Ca -0.04 -0.35 -0.24 0.00 0.31 0.00 0.00 61.69 61.36 2qle s THR 186 Cb -0.12 -0.65 -0.07 0.00 0.01 0.00 0.00 72.50 71.67 2qle s THR 186 CO 0.03 0.23 1.23 -2.84 -0.69 0.00 0.00 174.62 172.57 2qle s PRO 187 N 0.07 3.75 0.00 4.92 0.02 -1.26 -0.23 135.00 142.28 2qle s PRO 187 Ca -0.01 1.94 -0.09 0.00 0.02 0.00 0.00 61.00 62.87 2qle s PRO 187 Cb -0.07 -2.51 -0.31 0.00 0.02 0.00 0.00 34.50 31.64 2qle s PRO 187 CO 0.00 -0.60 0.86 0.82 -0.33 0.00 0.00 177.00 177.75 2qle h ILE 188 N 2.01 1.15 -3.70 2.83 2.04 -0.97 -3.45 117.51 117.43 2qle h ILE 188 Ca -0.50 -2.72 -0.43 0.00 1.00 0.00 0.00 64.86 62.22 2qle h ILE 188 Cb 1.25 2.85 0.18 0.00 -0.74 0.00 0.00 36.82 40.36 2qle h ILE 188 CO 0.61 0.84 0.19 -0.83 0.00 0.00 0.00 178.15 178.95 2qle s GLY 189 N -4.89 1.60 -0.01 5.37 0.00 -1.26 -5.02 107.32 103.11 2qle s GLY 189 Ca -0.11 -0.82 0.15 0.00 0.00 0.00 0.00 44.72 43.94 2qle s GLY 189 CO 0.88 -0.03 0.43 1.22 0.00 0.00 0.00 173.10 175.60 2qle n ASP 190 N -4.45 1.26 -4.56 1.64 8.00 -1.26 -5.01 116.55 112.17 2qle n ASP 190 Ca 0.11 -0.31 -0.28 0.00 0.71 0.00 0.00 54.79 55.02 2qle n ASP 190 Cb 0.59 1.43 0.22 0.00 -0.02 0.00 0.00 41.12 43.34 2qle n ASP 190 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2qle s GLY 191 N -3.22 1.56 0.43 0.44 0.00 -1.26 -4.96 107.32 100.30 2qle s GLY 191 Ca -0.01 -0.19 -0.23 0.00 0.00 0.00 0.00 44.72 44.29 2qle s GLY 191 CO 0.61 0.49 1.09 2.56 0.00 0.00 0.00 173.10 177.84 2qle s PRO 192 N -4.65 3.99 0.21 2.90 0.04 -1.26 -5.04 135.00 131.20 2qle s PRO 192 Ca 0.67 1.59 0.08 0.00 0.04 0.00 0.00 61.00 63.39 2qle s PRO 192 Cb -0.23 -2.46 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 2qle s PRO 192 CO 0.62 -0.31 -0.15 0.14 0.04 0.00 0.00 177.00 177.35 2qle s VAL 193 N -1.64 1.79 -0.14 -0.36 -7.23 -1.26 -4.89 120.40 106.67 2qle s VAL 193 Ca 0.60 -2.22 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 2qle s VAL 193 Cb -0.24 -2.08 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 2qle s VAL 193 CO 0.29 -0.57 0.99 -0.76 -0.31 0.00 0.00 175.10 174.74 2qle s LEU 194 N -3.33 4.21 -0.31 1.32 1.02 -1.26 -5.02 118.68 115.31 2qle s LEU 194 Ca 0.23 1.45 -0.11 0.00 0.02 0.00 0.00 54.13 55.72 2qle s LEU 194 Cb -0.01 -3.50 -0.03 0.00 0.02 0.00 0.00 46.19 42.67 2qle s LEU 194 CO 0.08 -0.48 0.20 -0.76 0.02 0.00 0.00 176.35 175.41 2qle s LEU 195 N 2.24 4.21 0.70 1.79 1.43 -1.26 -4.28 118.68 123.50 2qle s LEU 195 Ca 0.46 -0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.23 2qle s LEU 195 Cb -0.17 -2.11 0.04 0.00 0.03 0.00 0.00 46.19 43.98 2qle s LEU 195 CO 0.15 -0.14 1.04 -2.16 0.23 0.00 0.00 176.35 175.47 2qle s PRO 196 N 1.72 2.50 0.49 1.29 0.04 -1.26 -4.94 135.00 134.84 2qle s PRO 196 Ca 0.06 0.06 -0.08 0.00 0.04 0.00 0.00 61.00 61.09 2qle s PRO 196 Cb -0.17 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 2qle s PRO 196 CO 0.10 -1.12 0.83 -0.51 0.04 0.00 0.00 177.00 176.34 2qle s ASP 197 N -4.44 6.31 0.41 6.66 1.01 -1.26 -3.84 116.67 121.52 2qle s ASP 197 Ca 0.58 1.07 -0.26 0.00 0.71 0.00 0.00 52.55 54.66 2qle s ASP 197 Cb -0.11 -2.31 -0.10 0.00 1.01 0.00 0.00 42.92 41.41 2qle s ASP 197 CO 0.47 -0.60 1.31 0.59 0.21 0.00 0.00 175.17 177.15 2qle n ASN 198 N -2.16 2.76 -2.25 0.27 3.02 -1.26 -4.84 115.26 110.80 2qle n ASN 198 Ca 0.02 1.13 -0.01 0.00 -0.03 0.00 0.00 54.58 55.69 2qle n ASN 198 Cb 0.55 -1.52 0.01 0.00 -0.61 0.00 0.00 39.78 38.21 2qle n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qle n HIS 199 N -0.08 -0.89 -4.17 3.10 1.44 -0.76 -4.81 115.22 109.06 2qle n HIS 199 Ca 0.06 -0.63 -0.11 0.00 -2.01 0.00 0.00 57.72 55.03 2qle n HIS 199 Cb 0.39 0.31 -0.10 0.00 0.12 0.00 0.00 29.99 30.71 2qle n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2qle s TYR 200 N -3.76 0.97 -0.03 -1.40 -0.85 -0.77 -0.39 117.35 111.12 2qle s TYR 200 Ca 0.13 -1.28 0.05 0.00 -0.52 0.00 0.00 57.07 55.45 2qle s TYR 200 Cb -0.01 -0.50 -0.03 0.00 0.38 0.00 0.00 41.96 41.80 2qle s TYR 200 CO 0.02 -0.58 -0.18 -0.51 -1.52 0.00 0.00 175.55 172.78 2qle s LEU 201 N -3.09 2.53 -0.19 -3.49 1.43 -0.02 -0.81 118.68 115.05 2qle s LEU 201 Ca 0.30 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.06 2qle s LEU 201 Cb 0.07 -1.49 -0.02 0.00 0.03 0.00 0.00 46.19 44.78 2qle s LEU 201 CO 0.06 0.32 -0.04 -0.94 0.23 0.00 0.00 176.35 175.98 2qle s SER 202 N -0.81 4.52 -0.02 2.29 1.04 0.98 -0.41 113.70 121.29 2qle s SER 202 Ca 0.12 -0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.32 2qle s SER 202 Cb -0.10 -1.75 -0.01 0.00 0.10 0.00 0.00 66.02 64.25 2qle s SER 202 CO 0.01 0.07 -0.16 0.28 0.98 0.00 0.00 173.24 174.42 2qle s THR 203 N 0.92 1.31 -0.06 2.02 -1.32 -0.04 -1.36 115.64 117.12 2qle s THR 203 Ca -0.00 -0.69 0.06 0.00 -1.21 0.00 0.00 61.69 59.85 2qle s THR 203 Cb -0.15 -1.10 -0.01 0.00 -1.51 0.00 0.00 72.50 69.73 2qle s THR 203 CO 0.01 0.37 -0.24 -1.10 -2.21 0.00 0.00 174.62 171.46 2qle s GLN 204 N -0.23 2.47 -0.03 7.08 1.11 -0.47 -1.57 119.66 128.01 2qle s GLN 204 Ca 0.03 -0.87 0.04 0.00 0.01 0.00 0.00 55.36 54.58 2qle s GLN 204 Cb -0.08 -2.09 -0.00 0.00 -1.01 0.00 0.00 33.01 29.83 2qle s GLN 204 CO 0.00 0.36 -0.16 0.08 0.01 0.00 0.00 175.29 175.58 2qle s VAL 205 N -0.12 1.31 -0.12 1.09 1.01 -1.26 -1.01 120.40 121.31 2qle s VAL 205 Ca -0.04 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2qle s VAL 205 Cb -0.14 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.13 2qle s VAL 205 CO 0.04 0.38 -0.23 0.00 0.00 0.00 0.00 175.10 175.29 2qle s ALA 206 N -0.05 2.23 -0.03 5.51 0.00 0.13 -4.61 121.76 124.94 2qle s ALA 206 Ca -0.01 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2qle s ALA 206 Cb -0.10 -0.92 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 2qle s ALA 206 CO 0.01 0.13 -0.02 -0.51 0.00 0.00 0.00 175.76 175.37 2qle s LEU 207 N 0.57 3.40 0.00 0.00 1.43 -1.26 -1.60 118.68 121.23 2qle s LEU 207 Ca -0.13 -0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 2qle s LEU 207 Cb -0.17 -1.88 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2qle s LEU 207 CO 0.04 0.32 0.18 -1.54 0.23 0.00 0.00 176.35 175.58 2qle n SER 208 N 1.73 -0.53 -4.25 2.29 3.41 -0.31 -4.97 113.62 110.99 2qle n SER 208 Ca -0.16 -1.45 -0.21 0.00 -0.26 0.00 0.00 58.87 56.79 2qle n SER 208 Cb 0.53 0.91 -0.12 0.00 -0.26 0.00 0.00 64.21 65.27 2qle n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2qle s LYS 209 N -2.08 1.05 -0.37 4.33 -0.14 -1.26 -1.51 119.74 119.75 2qle s LYS 209 Ca 0.05 -1.18 -0.19 0.00 -1.36 0.00 0.00 55.97 53.29 2qle s LYS 209 Cb -0.01 -1.11 0.00 0.00 -1.68 0.00 0.00 37.83 35.04 2qle s LYS 209 CO 0.04 0.24 0.58 0.34 -0.76 0.00 0.00 175.35 175.79 2qle s ASP 210 N -2.15 6.36 0.62 2.83 -1.08 -1.26 -4.93 116.67 117.05 2qle s ASP 210 Ca 0.07 -0.01 0.35 0.00 -0.52 0.00 0.00 52.55 52.44 2qle s ASP 210 Cb -0.08 -2.30 1.91 0.00 -1.46 0.00 0.00 42.92 40.99 2qle s ASP 210 CO 0.04 -0.57 2.07 1.55 0.52 0.00 0.00 175.17 178.78 2qle h PRO 211 N 8.52 0.00 -0.01 4.34 0.13 -2.03 -2.27 132.00 140.68 2qle h PRO 211 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2qle h PRO 211 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qle h PRO 211 CO 0.82 0.00 -0.52 0.09 -0.23 0.00 0.00 178.00 178.16 2qle n ASN 212 N -2.87 1.10 -4.69 1.44 3.02 -1.26 -4.94 115.26 107.05 2qle n ASN 212 Ca -0.02 -0.88 -0.39 0.00 -0.03 0.00 0.00 54.58 53.25 2qle n ASN 212 Cb 0.21 0.41 -0.05 0.00 -0.61 0.00 0.00 39.78 39.74 2qle n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2qle s GLU 213 N -2.73 4.32 0.15 3.52 2.56 -0.86 -4.96 118.70 120.71 2qle s GLU 213 Ca 0.16 0.68 0.17 0.00 0.00 0.00 0.00 54.97 55.98 2qle s GLU 213 Cb 0.18 -3.50 -0.06 0.00 2.00 0.00 0.00 34.13 32.75 2qle s GLU 213 CO 0.65 -0.05 1.05 0.87 -0.56 0.00 0.00 175.26 177.22 2qle h LYS 214 N 7.07 0.00 -7.32 4.30 1.57 -1.92 -3.47 116.57 116.79 2qle h LYS 214 Ca -0.37 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 57.90 2qle h LYS 214 Cb 1.17 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.57 2qle h LYS 214 CO 0.77 0.33 0.37 1.03 -0.57 0.00 0.00 179.45 181.38 2qle s ARG 215 N -2.97 2.97 0.01 3.15 0.52 -1.26 -4.97 118.95 116.40 2qle s ARG 215 Ca -0.00 0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 55.88 2qle s ARG 215 Cb 0.08 -1.99 -0.06 0.00 0.52 0.00 0.00 34.95 33.50 2qle s ARG 215 CO 0.79 -1.07 1.39 0.34 0.02 0.00 0.00 175.30 176.77 2qle s ASP 216 N -3.70 6.86 0.39 0.23 -1.08 -1.26 -4.95 116.67 113.15 2qle s ASP 216 Ca 0.59 2.12 -0.12 0.00 -0.52 0.00 0.00 52.55 54.62 2qle s ASP 216 Cb -0.14 -2.56 0.05 0.00 -1.46 0.00 0.00 42.92 38.80 2qle s ASP 216 CO 0.53 -0.71 0.72 -1.38 0.52 0.00 0.00 175.17 174.85 2qle s HIS 217 N 2.29 0.40 -0.14 -5.34 -3.43 -1.26 -1.31 115.29 106.50 2qle s HIS 217 Ca 0.64 -0.98 -0.09 0.00 -0.80 0.00 0.00 55.06 53.83 2qle s HIS 217 Cb -0.32 0.61 0.05 0.00 -1.43 0.00 0.00 32.58 31.49 2qle s HIS 217 CO 0.27 -1.50 0.34 1.41 -2.00 0.00 0.00 174.74 173.26 2qle s MET 218 N -2.33 0.34 -0.15 -0.38 1.75 -0.45 -4.97 119.30 113.10 2qle s MET 218 Ca 0.20 0.60 -0.06 0.00 -1.25 0.00 0.00 55.69 55.18 2qle s MET 218 Cb -0.04 0.03 -0.04 0.00 2.84 0.00 0.00 34.83 37.62 2qle s MET 218 CO 0.14 -0.12 0.05 0.08 -0.65 0.00 0.00 175.02 174.53 2qle s VAL 219 N 0.91 4.73 -0.04 10.11 1.01 -0.57 -0.90 120.40 135.65 2qle s VAL 219 Ca -0.06 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.87 2qle s VAL 219 Cb -0.07 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.24 2qle s VAL 219 CO -0.07 0.52 -0.06 -0.22 0.00 0.00 0.00 175.10 175.27 2qle s LEU 220 N -0.09 1.47 -0.06 3.92 0.20 0.03 -1.16 118.68 122.99 2qle s LEU 220 Ca 0.06 -0.16 0.04 0.00 0.69 0.00 0.00 54.13 54.77 2qle s LEU 220 Cb -0.12 -0.51 -0.00 0.00 -0.43 0.00 0.00 46.19 45.13 2qle s LEU 220 CO 0.01 -0.02 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.10 2qle s LEU 221 N 0.73 1.94 0.03 -0.68 1.02 -0.62 -0.41 118.68 120.69 2qle s LEU 221 Ca -0.11 -0.41 -0.03 0.00 0.02 0.00 0.00 54.13 53.60 2qle s LEU 221 Cb -0.14 -1.10 -0.02 0.00 0.02 0.00 0.00 46.19 44.95 2qle s LEU 221 CO 0.01 0.16 0.04 -0.70 0.02 0.00 0.00 176.35 175.88 2qle s GLU 222 N 0.10 0.51 -0.06 1.70 2.12 -0.44 -0.69 118.70 121.94 2qle s GLU 222 Ca -0.07 -0.79 0.04 0.00 0.36 0.00 0.00 54.97 54.51 2qle s GLU 222 Cb -0.13 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.45 2qle s GLU 222 CO 0.04 -0.11 -0.17 -0.06 -0.54 0.00 0.00 175.26 174.42 2qle s PHE 223 N -2.49 1.75 -0.03 5.30 0.08 -0.18 -1.32 117.98 121.09 2qle s PHE 223 Ca -0.06 -0.58 -0.00 0.00 0.12 0.00 0.00 56.93 56.41 2qle s PHE 223 Cb -0.02 -1.20 0.03 0.00 -0.57 0.00 0.00 43.02 41.26 2qle s PHE 223 CO -0.04 -0.23 0.02 0.54 -0.10 0.00 0.00 175.22 175.41 2qle s VAL 224 N 0.26 0.07 0.00 -0.44 0.11 0.23 -1.37 120.40 119.26 2qle s VAL 224 Ca -0.09 0.20 0.03 0.00 -2.93 0.00 0.00 61.98 59.19 2qle s VAL 224 Cb -0.14 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 2qle s VAL 224 CO 0.04 0.15 -0.10 0.28 -3.33 0.00 0.00 175.10 172.13 2qle s THR 225 N 1.37 0.79 0.44 5.04 -1.32 -0.46 -1.39 115.64 120.10 2qle s THR 225 Ca -0.05 -0.55 -0.14 0.00 -1.21 0.00 0.00 61.69 59.74 2qle s THR 225 Cb -0.13 -0.69 -0.07 0.00 -1.51 0.00 0.00 72.50 70.10 2qle s THR 225 CO -0.03 0.13 0.85 0.00 -2.21 0.00 0.00 174.62 173.37 2qle s ALA 226 N -0.41 3.23 0.25 11.08 0.00 -0.17 -0.01 121.76 135.73 2qle s ALA 226 Ca 0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.76 2qle s ALA 226 Cb -0.05 -2.88 0.04 0.00 0.00 0.00 0.00 23.12 20.24 2qle s ALA 226 CO -0.00 -0.05 0.84 0.00 0.00 0.00 0.00 175.76 176.54 2qle s ALA 227 N -2.42 -1.29 0.00 0.00 0.00 0.01 -4.57 121.76 113.49 2qle s ALA 227 Ca 0.55 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2qle s ALA 227 Cb -0.10 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2qle s ALA 227 CO 0.29 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2qle n GLY 228 N -0.50 0.47 3.06 0.00 0.00 -1.26 -1.85 105.19 105.11 2qle n GLY 228 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 2qle n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qle s ILE 229 N -2.00 1.57 0.00 -0.61 1.01 -1.26 -4.93 121.20 114.98 2qle s ILE 229 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2qle s ILE 229 Cb 0.00 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 41.04 2qle s ILE 229 CO 0.00 0.46 0.45 0.35 0.00 0.00 0.00 174.94 176.19 2qle n THR 230 N 4.29 0.12 -3.60 2.92 -2.24 -1.26 -4.86 114.28 109.64 2qle n THR 230 Ca -0.19 -0.43 -0.22 0.00 -2.27 0.00 0.00 64.05 60.94 2qle n THR 230 Cb 0.51 1.16 -0.01 0.00 -2.10 0.00 0.00 70.33 69.89 2qle n THR 230 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2qle s HIS 231 N -0.12 3.43 0.00 4.78 -3.43 -1.26 -5.19 115.29 113.51 2qle s HIS 231 Ca 0.00 0.14 0.00 0.00 -0.80 0.00 0.00 55.06 54.40 2qle s HIS 231 Cb 0.00 -1.80 0.00 0.00 -1.43 0.00 0.00 32.58 29.35 2qle s HIS 231 CO 0.00 0.21 0.00 0.41 -2.00 0.00 0.00 174.74 173.36