#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 0.00 0.00 1.61 4.11 -1.90 -0.59 114.58 117.81 2qle h GLU 5 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 2qle h GLU 5 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2qle h GLU 5 CO 0.00 0.04 -0.05 0.93 0.07 0.00 0.00 179.01 180.00 2qle h GLU 6 N 0.00 0.00 0.00 1.06 5.08 -1.99 -1.12 114.58 117.61 2qle h GLU 6 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2qle h GLU 6 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2qle h GLU 6 CO 0.01 0.05 0.00 1.28 -1.00 0.00 0.00 179.01 179.34 2qle n LEU 7 N -4.18 0.00 -0.48 1.33 4.77 -0.23 -3.52 117.00 114.69 2qle n LEU 7 Ca -0.03 0.50 0.04 0.00 -0.03 0.00 0.00 56.01 56.49 2qle n LEU 7 Cb 0.13 -0.50 0.11 0.00 -2.33 0.00 0.00 43.42 40.84 2qle n LEU 7 CO 0.32 -0.23 0.58 0.49 -1.33 0.00 0.00 177.39 177.22 2qle n PHE 8 N -1.50 0.33 0.31 -1.77 3.72 -0.42 -4.66 117.46 113.46 2qle n PHE 8 Ca 0.04 -0.46 0.17 0.00 -0.05 0.00 0.00 57.45 57.15 2qle n PHE 8 Cb 0.18 -0.03 0.74 0.00 -0.94 0.00 0.00 39.48 39.43 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 1.58 0.00 -2.74 4.37 1.35 -1.67 -3.36 112.91 112.45 2qle h THR 9 Ca 0.00 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 2qle h THR 9 Cb 0.65 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 2qle h THR 9 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2qle n GLY 10 N -0.27 6.01 3.74 5.82 0.00 -1.26 -4.72 105.19 114.50 2qle n GLY 10 Ca 0.00 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 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 -0.22 4.25 -0.05 1.61 1.01 -1.26 -4.46 120.40 121.28 2qle s VAL 11 Ca 0.00 2.04 0.03 0.00 0.00 0.00 0.00 61.98 64.05 2qle s VAL 11 Cb 0.00 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 32.09 2qle s VAL 11 CO 0.00 0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 174.68 2qle s VAL 12 N -0.56 1.08 0.46 2.92 1.01 0.36 -4.94 120.40 120.74 2qle s VAL 12 Ca 0.44 -0.49 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 2qle s VAL 12 Cb -0.25 -0.97 -0.08 0.00 0.00 0.00 0.00 36.38 35.08 2qle s VAL 12 CO 0.31 0.33 1.08 -2.16 0.00 0.00 0.00 175.10 174.67 2qle s PRO 13 N 0.39 3.84 0.02 2.72 0.05 -1.26 0.52 135.00 141.28 2qle s PRO 13 Ca -0.09 1.54 0.06 0.00 0.05 0.00 0.00 61.00 62.56 2qle s PRO 13 Cb -0.13 -2.29 -0.02 0.00 0.05 0.00 0.00 34.50 32.12 2qle s PRO 13 CO 0.02 -0.43 -0.17 0.42 0.05 0.00 0.00 177.00 176.89 2qle s ILE 14 N -1.75 1.38 0.01 0.56 1.01 0.83 -1.89 121.20 121.36 2qle s ILE 14 Ca 0.64 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 60.42 2qle s ILE 14 Cb -0.22 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 2qle s ILE 14 CO 0.27 0.24 -0.18 -0.22 0.00 0.00 0.00 174.94 175.04 2qle s LEU 15 N -0.81 2.10 0.03 2.97 2.96 -0.58 -1.81 118.68 123.54 2qle s LEU 15 Ca 0.06 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.60 2qle s LEU 15 Cb -0.07 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 2qle s LEU 15 CO 0.01 0.17 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.39 2qle s VAL 16 N -0.62 0.97 -0.10 1.68 1.01 -0.18 -1.29 120.40 121.88 2qle s VAL 16 Ca 0.06 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 2qle s VAL 16 Cb -0.08 -0.89 0.05 0.00 0.00 0.00 0.00 36.38 35.46 2qle s VAL 16 CO 0.00 -0.02 0.22 -1.61 0.00 0.00 0.00 175.10 173.69 2qle s GLU 17 N -1.07 0.16 -0.02 2.72 8.01 -0.43 -0.16 118.70 127.91 2qle s GLU 17 Ca 0.00 0.51 0.04 0.00 0.01 0.00 0.00 54.97 55.53 2qle s GLU 17 Cb -0.07 -0.14 -0.00 0.00 -4.31 0.00 0.00 34.13 29.61 2qle s GLU 17 CO 0.01 -0.18 -0.13 -1.17 0.01 0.00 0.00 175.26 173.80 2qle s LEU 18 N 1.40 1.90 -0.15 1.80 0.20 -0.44 0.11 118.68 123.51 2qle s LEU 18 Ca -0.08 -0.25 0.02 0.00 0.69 0.00 0.00 54.13 54.52 2qle s LEU 18 Cb -0.11 -0.70 0.01 0.00 -0.43 0.00 0.00 46.19 44.96 2qle s LEU 18 CO -0.08 0.12 -0.21 -1.81 -0.29 0.00 0.00 176.35 174.09 2qle s ASP 19 N -0.03 3.07 0.17 3.68 1.01 -0.81 -0.89 116.67 122.88 2qle s ASP 19 Ca -0.00 -0.61 0.06 0.00 0.71 0.00 0.00 52.55 52.71 2qle s ASP 19 Cb -0.08 -1.43 -0.05 0.00 1.01 0.00 0.00 42.92 42.37 2qle s ASP 19 CO 0.00 0.04 -0.12 -0.83 0.21 0.00 0.00 175.17 174.47 2qle s GLY 20 N 1.03 1.23 -0.15 0.21 0.00 0.21 -1.15 107.32 108.70 2qle s GLY 20 Ca -0.02 -1.57 -0.04 0.00 0.00 0.00 0.00 44.72 43.09 2qle s GLY 20 CO -0.07 -1.67 0.23 -0.35 0.00 0.00 0.00 173.10 171.24 2qle s ASP 21 N -3.23 0.85 -0.21 1.64 -1.08 -0.63 -0.42 116.67 113.58 2qle s ASP 21 Ca 0.19 0.20 0.02 0.00 -0.52 0.00 0.00 52.55 52.44 2qle s ASP 21 Cb 0.01 0.49 0.04 0.00 -1.46 0.00 0.00 42.92 42.00 2qle s ASP 21 CO 0.03 -0.28 -0.13 0.54 0.52 0.00 0.00 175.17 175.86 2qle s VAL 22 N 2.36 1.90 -1.32 1.11 0.11 0.29 0.11 120.40 124.96 2qle s VAL 22 Ca 0.04 -1.17 -0.12 0.00 -2.93 0.00 0.00 61.98 57.80 2qle s VAL 22 Cb -0.14 -1.92 0.01 0.00 -1.53 0.00 0.00 36.38 32.80 2qle s VAL 22 CO -0.10 0.21 0.50 0.59 -3.33 0.00 0.00 175.10 172.98 2qle n ASN 23 N 4.59 -2.12 0.00 3.54 4.13 -0.86 0.72 115.26 125.26 2qle n ASN 23 Ca -0.16 -1.10 0.00 0.00 1.68 0.00 0.00 54.58 54.99 2qle n ASN 23 Cb 0.46 -2.67 0.00 0.00 -1.54 0.00 0.00 39.78 36.03 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 -2.02 0.09 3.56 7.41 0.00 -1.26 -4.91 105.19 108.06 2qle n GLY 24 Ca -0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.26 2.89 0.00 1.61 3.76 0.22 -5.01 115.29 117.50 2qle s HIS 25 Ca 0.00 0.33 -0.16 0.00 -0.15 0.00 0.00 55.06 55.07 2qle s HIS 25 Cb 0.00 -4.02 -0.06 0.00 1.11 0.00 0.00 32.58 29.62 2qle s HIS 25 CO 0.00 -1.16 0.46 0.15 -0.85 0.00 0.00 174.74 173.34 2qle s LYS 26 N 3.84 4.05 0.19 1.40 -0.14 -1.26 -0.55 119.74 127.28 2qle s LYS 26 Ca 0.36 0.50 -0.18 0.00 -1.36 0.00 0.00 55.97 55.30 2qle s LYS 26 Cb -0.10 -3.25 0.03 0.00 -1.68 0.00 0.00 37.83 32.83 2qle s LYS 26 CO 0.25 0.61 0.54 -0.59 -0.76 0.00 0.00 175.35 175.40 2qle s PHE 27 N -0.87 -0.17 0.00 3.18 -0.71 0.44 -4.98 117.98 114.88 2qle s PHE 27 Ca 0.25 -0.17 0.02 0.00 -1.04 0.00 0.00 56.93 56.00 2qle s PHE 27 Cb -0.17 0.42 -0.01 0.00 -1.21 0.00 0.00 43.02 42.05 2qle s PHE 27 CO 0.14 -0.92 -0.08 -1.12 -1.34 0.00 0.00 175.22 171.90 2qle s SER 28 N -2.86 0.92 0.00 1.98 0.01 -1.26 0.63 113.70 113.12 2qle s SER 28 Ca 0.08 -0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.16 2qle s SER 28 Cb -0.01 -0.08 -0.01 0.00 0.21 0.00 0.00 66.02 66.13 2qle s SER 28 CO -0.03 0.05 -0.09 -0.69 0.41 0.00 0.00 173.24 172.88 2qle s VAL 29 N -0.37 0.71 0.04 3.43 1.01 -0.07 -1.71 120.40 123.44 2qle s VAL 29 Ca 0.01 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.62 2qle s VAL 29 Cb -0.04 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2qle s VAL 29 CO -0.00 0.14 -0.25 -0.44 0.00 0.00 0.00 175.10 174.55 2qle s SER 30 N -0.36 3.01 0.11 3.32 0.01 0.36 -1.32 113.70 118.81 2qle s SER 30 Ca 0.02 -0.57 -0.02 0.00 1.31 0.00 0.00 55.95 56.69 2qle s SER 30 Cb -0.04 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2qle s SER 30 CO -0.00 0.24 0.05 -0.83 0.41 0.00 0.00 173.24 173.10 2qle s GLY 31 N -1.22 0.77 0.07 3.44 0.00 0.77 -0.59 107.32 110.56 2qle s GLY 31 Ca 0.11 -1.33 -0.25 0.00 0.00 0.00 0.00 44.72 43.25 2qle s GLY 31 CO 0.02 -1.30 0.59 -1.83 0.00 0.00 0.00 173.10 170.58 2qle s GLU 32 N -4.00 1.14 0.00 2.90 -1.05 -0.41 -1.01 118.70 116.27 2qle s GLU 32 Ca 0.18 -0.22 0.00 0.00 -0.15 0.00 0.00 54.97 54.78 2qle s GLU 32 Cb 0.07 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.29 2qle s GLU 32 CO -0.02 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 176.16 2qle n GLY 33 N 0.19 -0.60 3.42 -3.83 0.00 -0.75 -1.12 105.19 102.50 2qle n GLY 33 Ca -0.18 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 2qle n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qle s GLU 34 N -1.31 1.25 0.17 1.61 -1.05 -0.44 -0.12 118.70 118.82 2qle s GLU 34 Ca 0.00 -0.62 0.06 0.00 -0.15 0.00 0.00 54.97 54.26 2qle s GLU 34 Cb 0.00 0.54 -0.05 0.00 -0.44 0.00 0.00 34.13 34.19 2qle s GLU 34 CO 0.00 -0.53 -0.12 0.20 0.95 0.00 0.00 175.26 175.75 2qle s GLY 35 N -2.79 1.24 -0.41 -3.83 0.00 0.19 -1.91 107.32 99.81 2qle s GLY 35 Ca 0.03 -1.56 0.03 0.00 0.00 0.00 0.00 44.72 43.22 2qle s GLY 35 CO -0.10 -1.66 0.36 -0.35 0.00 0.00 0.00 173.10 171.34 2qle s ASP 36 N -3.21 1.39 0.58 1.64 -1.08 0.36 -0.48 116.67 115.86 2qle s ASP 36 Ca 0.19 -2.63 0.28 0.00 -0.52 0.00 0.00 52.55 49.88 2qle s ASP 36 Cb 0.01 -0.10 1.54 0.00 -1.46 0.00 0.00 42.92 42.91 2qle s ASP 36 CO 0.04 -0.19 1.99 0.00 0.52 0.00 0.00 175.17 177.52 2qle h ALA 37 N 5.97 2.06 -0.24 3.66 0.00 -1.72 -1.00 119.26 127.98 2qle h ALA 37 Ca 0.19 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.16 2qle h ALA 37 Cb 0.96 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2qle h ALA 37 CO 0.30 -0.54 0.20 1.15 0.00 0.00 0.00 179.25 180.36 2qle h THR 38 N 0.00 0.71 -0.01 0.00 2.02 -1.85 -1.59 112.91 112.20 2qle h THR 38 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 2qle h THR 38 Cb 0.88 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 2qle h THR 38 CO -0.00 0.00 -0.23 -1.22 0.37 0.00 0.00 175.52 174.44 2qle n TYR 39 N -4.21 0.00 -2.28 3.16 4.02 -0.44 -4.96 117.16 112.45 2qle n TYR 39 Ca 0.03 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.78 2qle n TYR 39 Cb 0.35 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.66 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 0.93 -0.21 3.56 2.72 0.00 -0.60 -4.69 105.19 106.90 2qle n GLY 40 Ca 0.05 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -4.72 3.80 0.01 1.61 2.20 -0.97 -0.38 119.74 121.29 2qle s LYS 41 Ca 0.00 -0.44 0.05 0.00 -0.36 0.00 0.00 55.97 55.23 2qle s LYS 41 Cb -0.00 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.25 2qle s LYS 41 CO 0.01 0.27 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.58 2qle s LEU 42 N 0.34 2.09 -0.13 5.43 1.43 -0.23 -0.49 118.68 127.12 2qle s LEU 42 Ca -0.01 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2qle s LEU 42 Cb -0.13 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.31 2qle s LEU 42 CO 0.02 0.15 -0.01 0.42 0.23 0.00 0.00 176.35 177.16 2qle s THR 43 N -0.58 0.66 0.05 5.49 -4.23 -0.80 -1.03 115.64 115.20 2qle s THR 43 Ca 0.05 -0.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.34 2qle s THR 43 Cb -0.07 -0.88 -0.03 0.00 1.34 0.00 0.00 72.50 72.86 2qle s THR 43 CO 0.00 0.14 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.37 2qle s LEU 44 N 1.83 2.26 -0.05 4.79 1.43 -0.06 -1.33 118.68 127.55 2qle s LEU 44 Ca 0.03 -0.56 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 2qle s LEU 44 Cb -0.14 -0.25 0.02 0.00 0.03 0.00 0.00 46.19 45.84 2qle s LEU 44 CO -0.07 -0.17 -0.09 -0.75 0.23 0.00 0.00 176.35 175.50 2qle s LYS 45 N -1.60 1.34 -0.03 1.70 2.20 -0.27 -0.56 119.74 122.51 2qle s LYS 45 Ca -0.08 -0.29 0.07 0.00 -0.36 0.00 0.00 55.97 55.31 2qle s LYS 45 Cb -0.10 -1.16 -0.02 0.00 -1.51 0.00 0.00 37.83 35.04 2qle s LYS 45 CO 0.01 -0.01 -0.25 -0.06 -0.36 0.00 0.00 175.35 174.68 2qle s PHE 46 N 0.73 2.39 -0.07 4.03 0.40 0.04 -1.29 117.98 124.21 2qle s PHE 46 Ca -0.13 -0.48 0.02 0.00 -0.60 0.00 0.00 56.93 55.74 2qle s PHE 46 Cb -0.15 -1.53 0.01 0.00 0.51 0.00 0.00 43.02 41.86 2qle s PHE 46 CO 0.02 -0.06 -0.12 0.42 0.70 0.00 0.00 175.22 176.18 2qle s ILE 47 N -0.52 1.13 -0.36 0.64 1.01 0.24 -1.61 121.20 121.73 2qle s ILE 47 Ca 0.07 -0.47 -0.28 0.00 0.00 0.00 0.00 60.65 59.97 2qle s ILE 47 Cb -0.11 -1.03 0.02 0.00 0.01 0.00 0.00 42.46 41.34 2qle s ILE 47 CO 0.00 0.35 1.05 0.00 0.00 0.00 0.00 174.94 176.35 2qle n THR 49 N 6.07 0.00 0.32 0.00 -2.24 -0.69 -4.12 114.28 113.62 2qle n THR 49 Ca 0.11 -0.13 0.10 0.00 -2.27 0.00 0.00 64.05 61.86 2qle n THR 49 Cb 0.48 0.15 0.17 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.54 0.45 0.00 4.28 -2.24 -1.25 -4.99 114.28 109.99 2qle n THR 50 Ca 0.16 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2qle n THR 50 Cb 0.30 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 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 1.25 0.19 3.66 3.38 0.00 -1.26 -4.99 105.19 107.42 2qle n GLY 51 Ca 0.16 -1.96 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 2qle n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qle s LYS 52 N -0.09 0.87 -0.17 1.61 0.00 -1.26 -4.53 119.74 116.16 2qle s LYS 52 Ca 0.00 1.09 -0.08 0.00 0.00 0.00 0.00 55.97 56.98 2qle s LYS 52 Cb 0.00 -1.74 -0.05 0.00 0.00 0.00 0.00 37.83 36.04 2qle s LYS 52 CO 0.00 -2.59 0.11 -1.17 0.00 0.00 0.00 175.35 171.70 2qle s LEU 53 N -6.50 4.13 0.00 2.77 2.96 -1.26 -4.99 118.68 115.79 2qle s LEU 53 Ca 0.65 0.24 0.23 0.00 -0.22 0.00 0.00 54.13 55.04 2qle s LEU 53 Cb -0.21 -2.05 1.24 0.00 0.50 0.00 0.00 46.19 45.68 2qle s LEU 53 CO 0.59 0.24 1.76 -0.81 -1.32 0.00 0.00 176.35 176.80 2qle n PRO 54 N 3.14 0.47 -4.37 0.98 -0.04 -1.26 -4.77 135.00 129.14 2qle n PRO 54 Ca -0.17 0.05 -0.19 0.00 -0.04 0.00 0.00 63.50 63.15 2qle n PRO 54 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.38 1.23 0.33 0.52 -7.23 -1.26 -4.65 120.40 106.96 2qle s VAL 55 Ca 0.26 -2.05 -0.28 0.00 -1.81 0.00 0.00 61.98 58.10 2qle s VAL 55 Cb 0.16 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.57 2qle s VAL 55 CO 0.32 -0.28 1.17 -2.84 -0.31 0.00 0.00 175.10 173.17 2qle s PRO 56 N -3.83 4.40 0.27 4.82 0.02 -1.26 -4.91 135.00 134.51 2qle s PRO 56 Ca 0.30 1.91 -0.01 0.00 0.02 0.00 0.00 61.00 63.23 2qle s PRO 56 Cb 0.06 -3.01 0.50 0.00 0.02 0.00 0.00 34.50 32.07 2qle s PRO 56 CO 0.10 -0.04 1.83 -1.49 -0.33 0.00 0.00 177.00 177.07 2qle h TRP 57 N 3.36 1.05 0.00 6.54 4.06 -1.96 -2.24 115.95 126.77 2qle h TRP 57 Ca -0.48 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.48 2qle h TRP 57 Cb 1.22 -0.33 -0.00 0.00 -1.00 0.00 0.00 29.16 29.05 2qle h TRP 57 CO 0.57 0.42 -0.11 -1.35 -3.56 0.00 0.00 178.44 174.41 2qle h PRO 58 N 0.93 0.00 0.00 0.49 0.11 -1.91 -1.51 132.00 130.11 2qle h PRO 58 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 2qle h PRO 58 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2qle h PRO 58 CO -0.26 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 177.89 2qle n THR 59 N -3.93 0.75 0.84 -1.15 -2.24 -0.84 -2.36 114.28 105.35 2qle n THR 59 Ca -0.02 0.19 0.09 0.00 -2.27 0.00 0.00 64.05 62.04 2qle n THR 59 Cb 0.20 -0.90 -0.01 0.00 -2.10 0.00 0.00 70.33 67.52 2qle n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qle n LEU 60 N -1.44 1.79 -0.07 3.22 4.77 -0.57 -4.64 117.00 120.06 2qle n LEU 60 Ca 0.05 -0.76 -0.07 0.00 -0.03 0.00 0.00 56.01 55.21 2qle n LEU 60 Cb 0.18 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2qle n LEU 60 CO 0.15 0.34 0.78 0.58 -1.33 0.00 0.00 177.39 177.91 2qle h VAL 61 N 2.04 0.62 -0.14 4.08 2.07 -1.48 -1.92 116.25 121.52 2qle h VAL 61 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2qle h VAL 61 Cb 0.64 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 2qle h VAL 61 CO 0.00 0.00 -0.08 0.71 0.02 0.00 0.00 177.57 178.22 2qle h THR 62 N -0.06 1.14 -0.34 2.57 1.35 -1.82 -2.73 112.91 113.01 2qle h THR 62 Ca 0.14 -0.59 -0.04 0.00 -0.55 0.00 0.00 66.41 65.37 2qle h THR 62 Cb 0.28 1.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 2qle h THR 62 CO -0.33 0.19 0.04 0.74 -0.25 0.00 0.00 175.52 175.91 2qle h THR 63 N 0.20 1.24 0.00 6.82 2.02 -1.67 -3.45 112.91 118.07 2qle h THR 63 Ca 0.04 -0.86 -0.48 0.00 0.77 0.00 0.00 66.41 65.88 2qle h THR 63 Cb 0.27 1.15 0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2qle h THR 63 CO 0.01 0.29 2.82 0.49 0.37 0.00 0.00 175.52 179.50 2qle n PHE 64 N -4.57 1.73 0.00 3.16 3.72 -0.80 -5.03 117.46 115.67 2qle n PHE 64 Ca -0.02 -2.20 0.00 0.00 -0.05 0.00 0.00 57.45 55.18 2qle n PHE 64 Cb 0.23 -1.87 0.00 0.00 -0.94 0.00 0.00 39.48 36.90 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 4.38 0.00 0.17 -4.37 0.24 -1.26 -5.01 118.33 112.49 2qle n VAL 68 Ca 0.52 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.84 2qle n VAL 68 Cb 0.20 0.00 0.10 0.00 -1.47 0.00 0.00 33.84 32.67 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 0.03 0.00 7.34 6.02 -1.26 -1.26 117.38 128.25 2qle n GLN 69 Ca 0.00 0.33 0.06 0.00 -0.01 0.00 0.00 57.00 57.38 2qle n GLN 69 Cb 0.00 -1.50 0.27 0.00 1.02 0.00 0.00 30.24 30.03 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 -1.46 0.19 -1.75 0.00 3.72 -0.39 -4.72 117.46 113.05 2qle n PHE 71 Ca 0.03 -0.09 -0.39 0.00 -0.05 0.00 0.00 57.45 56.96 2qle n PHE 71 Cb 0.13 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.72 2qle n PHE 71 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2qle n SER 72 N 0.55 2.76 -4.65 4.37 7.64 -0.74 -4.04 113.62 119.52 2qle n SER 72 Ca 0.17 0.98 -0.40 0.00 1.01 0.00 0.00 58.87 60.63 2qle n SER 72 Cb 0.40 -1.59 -0.06 0.00 -1.01 0.00 0.00 64.21 61.95 2qle n SER 72 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2qle s ARG 73 N -2.90 4.18 -0.26 1.43 3.52 -0.34 -4.76 118.95 119.82 2qle s ARG 73 Ca 0.72 0.60 -0.07 0.00 -0.13 0.00 0.00 55.73 56.85 2qle s ARG 73 Cb -0.41 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.36 2qle s ARG 73 CO 0.49 -0.29 0.06 0.71 -0.81 0.00 0.00 175.30 175.45 2qle s TYR 74 N 2.10 3.08 0.64 5.12 1.51 -1.26 -0.22 117.35 128.31 2qle s TYR 74 Ca 0.28 -0.64 -0.18 0.00 -1.01 0.00 0.00 57.07 55.53 2qle s TYR 74 Cb -0.16 -2.22 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 2qle s TYR 74 CO 0.10 -0.44 0.94 -2.30 -1.11 0.00 0.00 175.55 172.73 2qle n PRO 75 N 4.89 0.76 -0.29 -1.71 -0.02 -1.26 -4.71 135.00 132.66 2qle n PRO 75 Ca -0.16 0.30 0.20 0.00 -2.02 0.00 0.00 63.50 61.82 2qle n PRO 75 Cb 0.50 -2.16 0.50 0.00 -0.02 0.00 0.00 33.50 32.32 2qle n PRO 75 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2qle h ASP 76 N 0.24 0.45 -0.01 2.55 2.03 -2.01 0.35 116.42 120.03 2qle h ASP 76 Ca -0.48 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 2qle h ASP 76 Cb 1.36 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.84 2qle h ASP 76 CO 0.49 0.15 0.00 0.00 -1.03 0.00 0.00 179.24 178.85 2qle n HIS 77 N -4.57 0.01 -0.04 4.15 1.44 -1.26 -2.58 115.22 112.37 2qle n HIS 77 Ca 0.22 -0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.92 2qle n HIS 77 Cb 0.76 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.87 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 -0.63 1.88 -0.34 -1.40 2.00 0.12 -4.78 117.12 113.96 2qle n MET 78 Ca 0.08 -1.20 0.14 0.00 0.00 0.00 0.00 57.70 56.72 2qle n MET 78 Cb 0.04 -0.98 0.36 0.00 0.00 0.00 0.00 33.22 32.64 2qle n MET 78 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 175.97 176.84 2qle h LYS 79 N 0.00 0.68 0.00 0.03 6.56 -1.27 0.18 116.57 122.75 2qle h LYS 79 Ca 0.00 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2qle h LYS 79 Cb 0.39 -0.15 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 2qle h LYS 79 CO 0.00 0.45 0.00 2.89 -2.06 0.00 0.00 179.45 180.73 2qle n ARG 80 N -4.74 0.46 -0.35 3.15 1.85 -1.26 -2.75 116.66 113.02 2qle n ARG 80 Ca 0.23 0.05 0.10 0.00 -1.00 0.00 0.00 57.85 57.23 2qle n ARG 80 Cb 0.62 -1.50 0.28 0.00 -1.05 0.00 0.00 32.46 30.81 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 -1.16 0.89 -3.00 2.89 8.25 0.62 -4.67 115.22 119.04 2qle n HIS 81 Ca 0.12 -0.52 -0.44 0.00 -0.26 0.00 0.00 57.72 56.62 2qle n HIS 81 Cb 0.12 -0.04 -0.03 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 -1.01 6.54 0.07 0.41 -1.08 -1.11 -4.53 116.67 115.96 2qle s ASP 82 Ca 0.42 -1.94 -0.18 0.00 -0.52 0.00 0.00 52.55 50.33 2qle s ASP 82 Cb 0.23 -2.36 -0.11 0.00 -1.46 0.00 0.00 42.92 39.21 2qle s ASP 82 CO 0.27 -1.04 1.39 0.15 0.52 0.00 0.00 175.17 176.46 2qle h PHE 83 N 8.81 0.59 -0.46 -5.34 3.57 -1.89 -3.06 116.94 119.16 2qle h PHE 83 Ca 0.04 -0.17 0.09 0.00 3.53 0.00 0.00 57.97 61.47 2qle h PHE 83 Cb 1.04 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 39.56 2qle h PHE 83 CO 1.08 0.83 -0.14 0.74 -2.23 0.00 0.00 178.31 178.59 2qle h PHE 84 N 0.18 -0.31 -0.02 0.41 0.04 -1.89 -2.07 116.94 113.29 2qle h PHE 84 Ca 0.04 0.04 -0.15 0.00 2.80 0.00 0.00 57.97 60.70 2qle h PHE 84 Cb 0.71 0.21 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 2qle h PHE 84 CO 0.07 -0.22 -0.68 0.87 -0.60 0.00 0.00 178.31 177.76 2qle h LYS 85 N -0.03 0.09 -0.09 1.51 1.57 -1.85 -3.13 116.57 114.65 2qle h LYS 85 Ca 0.22 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 2qle h LYS 85 Cb 0.37 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2qle h LYS 85 CO -0.49 0.73 -0.06 0.66 -0.57 0.00 0.00 179.45 179.73 2qle h SER 86 N 0.06 0.12 0.50 0.86 4.64 -1.28 -1.91 113.55 116.53 2qle h SER 86 Ca -0.01 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2qle h SER 86 Cb 1.20 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2qle h SER 86 CO 0.09 0.20 0.00 0.00 -0.87 0.00 0.00 176.83 176.25 2qle n ALA 87 N -2.51 2.26 -2.21 5.18 0.00 -0.93 -4.53 120.51 117.77 2qle n ALA 87 Ca -0.01 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 2qle n ALA 87 Cb 0.18 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 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 -2.60 3.86 0.06 0.00 1.00 -0.72 -0.41 119.30 120.49 2qle s MET 88 Ca 0.23 0.51 0.26 0.00 0.00 0.00 0.00 55.69 56.69 2qle s MET 88 Cb 0.17 -2.44 0.72 0.00 0.00 0.00 0.00 34.83 33.27 2qle s MET 88 CO 0.39 0.09 1.59 -0.35 0.00 0.00 0.00 175.02 176.74 2qle n PRO 89 N -0.79 0.11 0.26 2.03 -0.04 -1.26 -3.95 135.00 131.36 2qle n PRO 89 Ca 0.02 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.63 2qle n PRO 89 Cb 0.53 -1.59 0.69 0.00 -0.04 0.00 0.00 33.50 33.10 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 0.00 0.00 0.00 0.54 3.07 -1.91 -2.52 114.58 113.76 2qle h GLU 90 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2qle h GLU 90 Cb 0.59 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.50 2qle h GLU 90 CO 0.00 0.04 0.00 0.41 -1.40 0.00 0.00 179.01 178.06 2qle n GLY 91 N -1.36 -3.56 3.08 -3.84 0.00 0.45 -4.57 105.19 95.40 2qle n GLY 91 Ca -0.03 -2.05 -0.08 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.74 0.52 -0.13 1.61 -0.85 -0.18 -0.61 117.35 116.97 2qle s TYR 92 Ca 0.00 -0.97 -0.11 0.00 -0.52 0.00 0.00 57.07 55.47 2qle s TYR 92 Cb 0.00 -0.37 -0.05 0.00 0.38 0.00 0.00 41.96 41.92 2qle s TYR 92 CO 0.00 -0.33 0.23 0.08 -1.52 0.00 0.00 175.55 174.01 2qle s VAL 93 N -3.52 5.35 -0.20 -3.49 1.01 0.50 -1.07 120.40 118.97 2qle s VAL 93 Ca 0.04 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.44 2qle s VAL 93 Cb 0.05 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.94 2qle s VAL 93 CO -0.08 0.51 -0.09 -1.58 0.00 0.00 0.00 175.10 173.85 2qle s GLN 94 N -0.32 1.94 0.07 2.72 0.74 0.11 -1.75 119.66 123.17 2qle s GLN 94 Ca 0.16 -0.85 0.08 0.00 0.05 0.00 0.00 55.36 54.79 2qle s GLN 94 Cb -0.13 -2.41 -0.03 0.00 1.10 0.00 0.00 33.01 31.53 2qle s GLN 94 CO 0.04 -0.45 -0.17 -1.21 -0.55 0.00 0.00 175.29 172.95 2qle s GLU 95 N 1.41 1.99 0.10 1.67 2.02 -0.51 -0.24 118.70 125.14 2qle s GLU 95 Ca -0.02 -1.04 -0.09 0.00 0.02 0.00 0.00 54.97 53.84 2qle s GLU 95 Cb -0.17 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 31.89 2qle s GLU 95 CO -0.08 0.52 0.22 1.03 0.02 0.00 0.00 175.26 176.97 2qle s ARG 96 N -1.69 0.91 -0.09 1.61 0.52 -0.34 -1.49 118.95 118.39 2qle s ARG 96 Ca 0.16 -0.99 0.03 0.00 -0.52 0.00 0.00 55.73 54.41 2qle s ARG 96 Cb -0.11 0.35 0.01 0.00 0.52 0.00 0.00 34.95 35.72 2qle s ARG 96 CO 0.07 -0.30 -0.19 0.99 0.02 0.00 0.00 175.30 175.89 2qle s THR 97 N -3.88 1.70 -0.26 0.02 2.01 -0.25 -0.68 115.64 114.29 2qle s THR 97 Ca 0.07 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 2qle s THR 97 Cb 0.04 -1.49 0.04 0.00 0.01 0.00 0.00 72.50 71.10 2qle s THR 97 CO -0.09 0.48 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.64 2qle s ILE 98 N 0.50 2.80 -0.25 1.82 1.01 0.02 -0.92 121.20 126.18 2qle s ILE 98 Ca -0.17 -1.21 -0.12 0.00 0.00 0.00 0.00 60.65 59.15 2qle s ILE 98 Cb -0.17 -2.50 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 2qle s ILE 98 CO 0.06 0.09 0.25 -0.36 0.00 0.00 0.00 174.94 174.99 2qle s PHE 99 N 1.28 3.28 -0.37 3.97 0.40 -0.40 -0.78 117.98 125.35 2qle s PHE 99 Ca -0.02 0.29 -0.19 0.00 -0.60 0.00 0.00 56.93 56.41 2qle s PHE 99 Cb -0.18 -2.41 0.01 0.00 0.51 0.00 0.00 43.02 40.94 2qle s PHE 99 CO -0.04 -0.09 0.55 -0.06 0.70 0.00 0.00 175.22 176.28 2qle s PHE 100 N 1.57 3.15 0.17 0.36 0.40 -0.67 -0.70 117.98 122.25 2qle s PHE 100 Ca 0.11 0.10 -0.33 0.00 -0.60 0.00 0.00 56.93 56.21 2qle s PHE 100 Cb -0.15 -3.03 -0.16 0.00 0.51 0.00 0.00 43.02 40.19 2qle s PHE 100 CO 0.08 -0.63 1.14 1.17 0.70 0.00 0.00 175.22 177.68 2qle n LYS 101 N 5.87 1.07 -1.53 0.44 3.00 -1.06 0.04 118.16 125.98 2qle n LYS 101 Ca -0.04 0.38 -0.18 0.00 -0.00 0.00 0.00 58.31 58.47 2qle n LYS 101 Cb 0.48 -1.86 -0.08 0.00 0.00 0.00 0.00 35.03 33.57 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 1.99 -5.24 -0.22 3.14 8.00 -1.26 -4.84 116.55 118.11 2qle n ASP 102 Ca 0.15 0.46 0.00 0.00 0.71 0.00 0.00 54.79 56.11 2qle n ASP 102 Cb 0.24 -4.36 0.00 0.00 -0.02 0.00 0.00 41.12 36.97 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 -1.00 0.00 -2.73 -2.24 -0.08 0.11 -4.90 116.55 105.70 2qle n ASP 103 Ca -0.18 -0.22 -0.08 0.00 -1.51 0.00 0.00 54.79 52.79 2qle n ASP 103 Cb 0.61 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.13 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 -2.27 3.10 0.27 0.00 -1.09 -4.47 105.19 100.73 2qle n GLY 104 Ca 0.00 -1.50 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.31 1.06 0.01 1.61 2.20 -0.93 -1.67 114.94 114.91 2qle s ASN 105 Ca 0.19 -0.64 -0.02 0.00 -0.94 0.00 0.00 52.86 51.46 2qle s ASN 105 Cb -0.02 0.03 -0.04 0.00 -2.00 0.00 0.00 41.25 39.22 2qle s ASN 105 CO 0.15 -0.23 0.16 -0.31 -2.94 0.00 0.00 177.10 173.93 2qle s TYR 106 N -1.76 3.47 -0.04 1.54 2.02 0.04 -1.93 117.35 120.69 2qle s TYR 106 Ca -0.05 0.30 0.03 0.00 -0.37 0.00 0.00 57.07 56.98 2qle s TYR 106 Cb -0.07 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.70 2qle s TYR 106 CO -0.00 0.61 -0.14 0.15 -1.57 0.00 0.00 175.55 174.60 2qle s LYS 107 N -2.00 1.59 0.07 -0.62 1.02 0.11 -0.80 119.74 119.12 2qle s LYS 107 Ca 0.27 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.78 2qle s LYS 107 Cb -0.13 -1.38 -0.03 0.00 -0.52 0.00 0.00 37.83 35.77 2qle s LYS 107 CO 0.19 0.17 -0.08 0.95 -0.92 0.00 0.00 175.35 175.67 2qle s THR 108 N 0.19 0.68 -0.05 2.17 -4.23 0.14 -1.02 115.64 113.51 2qle s THR 108 Ca -0.06 -1.47 -0.02 0.00 -1.18 0.00 0.00 61.69 58.96 2qle s THR 108 Cb -0.12 -1.12 0.03 0.00 1.34 0.00 0.00 72.50 72.64 2qle s THR 108 CO 0.02 -0.58 0.09 -0.60 -0.54 0.00 0.00 174.62 173.01 2qle s ARG 109 N -2.56 -0.03 0.13 3.99 3.52 -0.85 -1.19 118.95 121.96 2qle s ARG 109 Ca 0.00 0.39 0.04 0.00 -0.13 0.00 0.00 55.73 56.03 2qle s ARG 109 Cb -0.04 -0.38 -0.04 0.00 -1.56 0.00 0.00 34.95 32.94 2qle s ARG 109 CO -0.01 -0.28 -0.10 0.00 -0.81 0.00 0.00 175.30 174.09 2qle s ALA 110 N 1.91 1.38 -0.11 6.12 0.00 0.67 -1.43 121.76 130.30 2qle s ALA 110 Ca 0.01 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.58 2qle s ALA 110 Cb -0.12 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.04 2qle s ALA 110 CO -0.04 -0.08 -0.23 -1.21 0.00 0.00 0.00 175.76 174.20 2qle s GLU 111 N -3.51 3.01 -0.15 0.00 2.02 -0.60 0.08 118.70 119.56 2qle s GLU 111 Ca 0.14 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.27 2qle s GLU 111 Cb 0.01 -2.33 0.02 0.00 0.10 0.00 0.00 34.13 31.94 2qle s GLU 111 CO 0.00 0.12 -0.16 0.08 0.02 0.00 0.00 175.26 175.32 2qle s VAL 112 N 0.50 1.68 0.18 2.63 1.01 -0.24 -1.20 120.40 124.97 2qle s VAL 112 Ca -0.15 -0.71 -0.24 0.00 0.00 0.00 0.00 61.98 60.88 2qle s VAL 112 Cb -0.17 -1.56 0.05 0.00 0.00 0.00 0.00 36.38 34.70 2qle s VAL 112 CO 0.05 0.48 0.85 -1.59 0.00 0.00 0.00 175.10 174.89 2qle s LYS 113 N 1.39 1.37 0.18 2.72 -2.85 -0.76 -1.01 119.74 120.79 2qle s LYS 113 Ca 0.04 -0.73 -0.21 0.00 -1.00 0.00 0.00 55.97 54.06 2qle s LYS 113 Cb -0.13 0.48 -0.08 0.00 -2.06 0.00 0.00 37.83 36.05 2qle s LYS 113 CO -0.10 -0.63 0.71 -0.06 0.10 0.00 0.00 175.35 175.37 2qle s PHE 114 N -3.51 3.75 -0.27 1.78 0.08 -0.95 0.05 117.98 118.90 2qle s PHE 114 Ca 0.11 1.44 -0.02 0.00 0.12 0.00 0.00 56.93 58.57 2qle s PHE 114 Cb -0.03 -2.64 0.09 0.00 -0.57 0.00 0.00 43.02 39.87 2qle s PHE 114 CO 0.02 0.43 0.09 -1.21 -0.10 0.00 0.00 175.22 174.45 2qle s GLU 115 N -1.58 0.56 3.66 0.44 2.02 0.18 -4.91 118.70 119.08 2qle s GLU 115 Ca 0.38 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.64 2qle s GLU 115 Cb -0.19 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.21 2qle s GLU 115 CO 0.22 -0.88 0.00 0.41 0.02 0.00 0.00 175.26 175.03 2qle n GLY 116 N 5.01 0.57 0.00 -1.39 0.00 -1.26 -2.04 105.19 106.07 2qle n GLY 116 Ca -0.05 -0.77 0.06 0.00 0.00 0.00 0.00 46.02 45.26 2qle n GLY 116 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qle n ASP 117 N -1.73 0.00 -4.67 1.61 5.75 -1.26 -4.80 116.55 111.45 2qle n ASP 117 Ca 0.00 -1.46 -0.35 0.00 -0.01 0.00 0.00 54.79 52.97 2qle n ASP 117 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 2qle n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2qle s THR 118 N -2.00 4.25 -0.34 2.12 2.01 -0.87 -4.43 115.64 116.38 2qle s THR 118 Ca 0.17 -0.29 -0.25 0.00 0.31 0.00 0.00 61.69 61.63 2qle s THR 118 Cb 0.08 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.81 2qle s THR 118 CO 0.13 0.59 0.89 -0.22 -0.69 0.00 0.00 174.62 175.32 2qle s LEU 119 N -0.91 4.04 -0.11 4.42 1.98 -0.79 0.50 118.68 127.80 2qle s LEU 119 Ca 0.14 0.66 0.00 0.00 -2.89 0.00 0.00 54.13 52.04 2qle s LEU 119 Cb -0.11 -3.22 -0.02 0.00 0.66 0.00 0.00 46.19 43.50 2qle s LEU 119 CO 0.03 -0.76 -0.10 -0.69 -1.89 0.00 0.00 176.35 172.93 2qle s VAL 120 N 3.28 3.34 -0.34 1.68 1.01 0.11 -1.53 120.40 127.94 2qle s VAL 120 Ca 0.36 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.74 2qle s VAL 120 Cb -0.13 -2.39 0.07 0.00 0.00 0.00 0.00 36.38 33.94 2qle s VAL 120 CO 0.16 0.55 0.08 0.21 0.00 0.00 0.00 175.10 176.09 2qle s ASN 121 N -0.10 5.03 -0.27 3.32 2.47 -0.41 -1.82 114.94 123.16 2qle s ASN 121 Ca -0.00 -1.56 -0.07 0.00 0.42 0.00 0.00 52.86 51.65 2qle s ASN 121 Cb -0.13 -1.76 -0.01 0.00 -1.45 0.00 0.00 41.25 37.90 2qle s ASN 121 CO 0.03 -0.36 0.06 -0.60 -3.72 0.00 0.00 177.10 172.51 2qle s ARG 122 N 1.21 3.36 0.01 0.43 3.52 -0.34 -1.32 118.95 125.82 2qle s ARG 122 Ca 0.00 -0.67 0.09 0.00 -0.13 0.00 0.00 55.73 55.02 2qle s ARG 122 Cb -0.21 -3.32 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 2qle s ARG 122 CO -0.02 -0.31 -0.26 0.42 -0.81 0.00 0.00 175.30 174.32 2qle s ILE 123 N 1.55 2.09 -0.09 4.11 1.01 0.12 -1.56 121.20 128.42 2qle s ILE 123 Ca 0.05 -1.25 0.03 0.00 0.00 0.00 0.00 60.65 59.47 2qle s ILE 123 Cb -0.16 -1.76 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 2qle s ILE 123 CO 0.02 0.46 -0.17 -1.61 0.00 0.00 0.00 174.94 173.65 2qle s GLU 124 N -0.94 2.91 -0.01 2.79 2.02 -0.51 -1.93 118.70 123.03 2qle s GLU 124 Ca 0.11 -0.74 0.04 0.00 0.02 0.00 0.00 54.97 54.39 2qle s GLU 124 Cb -0.10 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.69 2qle s GLU 124 CO 0.01 0.38 -0.13 -1.17 0.02 0.00 0.00 175.26 174.37 2qle s LEU 125 N -0.11 2.03 -0.07 1.80 0.20 -0.30 -2.01 118.68 120.23 2qle s LEU 125 Ca -0.03 -0.25 0.00 0.00 0.69 0.00 0.00 54.13 54.55 2qle s LEU 125 Cb -0.14 -0.67 0.02 0.00 -0.43 0.00 0.00 46.19 44.97 2qle s LEU 125 CO 0.04 0.15 -0.05 -0.75 -0.29 0.00 0.00 176.35 175.45 2qle s LYS 126 N -0.36 1.05 0.04 1.98 2.47 -0.19 -1.60 119.74 123.13 2qle s LYS 126 Ca 0.05 -0.14 0.08 0.00 -1.56 0.00 0.00 55.97 54.40 2qle s LYS 126 Cb -0.05 -1.11 -0.03 0.00 -1.46 0.00 0.00 37.83 35.18 2qle s LYS 126 CO -0.00 -0.15 -0.20 0.20 0.16 0.00 0.00 175.35 175.35 2qle s GLY 127 N 1.27 1.53 0.20 5.54 0.00 0.12 0.09 107.32 116.07 2qle s GLY 127 Ca -0.05 -1.22 -0.13 0.00 0.00 0.00 0.00 44.72 43.32 2qle s GLY 127 CO -0.02 -1.11 0.43 -0.26 0.00 0.00 0.00 173.10 172.14 2qle s ILE 128 N -0.90 0.03 -1.04 0.90 -4.36 -0.81 -2.03 121.20 112.99 2qle s ILE 128 Ca 0.14 -1.16 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 2qle s ILE 128 Cb -0.10 -1.83 0.00 0.00 1.25 0.00 0.00 42.46 41.77 2qle s ILE 128 CO 0.04 -0.15 0.00 0.47 0.24 0.00 0.00 174.94 175.54 2qle n ASP 129 N -0.31 -4.38 -4.75 4.36 8.00 -1.26 -2.19 116.55 116.03 2qle n ASP 129 Ca -0.07 0.24 -0.40 0.00 0.71 0.00 0.00 54.79 55.27 2qle n ASP 129 Cb 0.62 -2.74 -0.05 0.00 -0.02 0.00 0.00 41.12 38.93 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 -2.30 3.89 0.05 1.24 0.40 -1.26 -2.68 117.98 117.33 2qle s PHE 130 Ca 0.00 1.77 -0.31 0.00 -0.60 0.00 0.00 56.93 57.80 2qle s PHE 130 Cb 0.00 -2.94 -0.06 0.00 0.51 0.00 0.00 43.02 40.53 2qle s PHE 130 CO 0.00 0.37 1.31 0.15 0.70 0.00 0.00 175.22 177.75 2qle s LYS 131 N -0.69 4.35 0.66 0.44 1.02 -1.26 -4.88 119.74 119.38 2qle s LYS 131 Ca 0.41 1.90 0.42 0.00 0.02 0.00 0.00 55.97 58.73 2qle s LYS 131 Cb -0.24 -3.39 2.34 0.00 -0.52 0.00 0.00 37.83 36.02 2qle s LYS 131 CO 0.29 -0.41 2.36 1.05 -0.92 0.00 0.00 175.35 177.72 2qle h GLU 132 N 7.11 0.00 0.00 1.68 -0.00 -1.95 -2.12 114.58 119.29 2qle h GLU 132 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.96 2qle h GLU 132 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 2qle h GLU 132 CO 0.86 0.00 -0.07 -0.40 -0.00 0.00 0.00 179.01 179.39 2qle n ASP 133 N -3.22 1.81 -2.79 3.06 5.75 -1.26 -3.94 116.55 115.96 2qle n ASP 133 Ca -0.03 -2.60 -0.11 0.00 -0.01 0.00 0.00 54.79 52.04 2qle n ASP 133 Cb 0.07 -0.29 0.08 0.00 -1.03 0.00 0.00 41.12 39.96 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 -0.96 -1.76 0.21 6.12 0.00 -0.80 -4.65 105.19 103.35 2qle n GLY 134 Ca 0.10 -1.60 0.06 0.00 0.00 0.00 0.00 46.02 44.57 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 -1.04 0.00 0.00 1.61 2.35 -1.89 -0.19 115.58 116.42 2qle h ASN 135 Ca -0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2qle h ASN 135 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 2qle h ASN 135 CO 0.11 0.27 0.00 -0.38 -1.65 0.00 0.00 177.43 175.78 2qle n ILE 136 N -4.00 0.00 0.27 2.81 -0.00 -1.26 -0.83 119.36 116.35 2qle n ILE 136 Ca -0.02 0.45 0.14 0.00 -0.00 0.00 0.00 62.75 63.33 2qle n ILE 136 Cb 0.34 -1.37 0.85 0.00 -0.00 0.00 0.00 39.64 39.46 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 -3.13 1.39 3.38 -1.73 0.53 115.31 115.75 2qle h LEU 137 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2qle h LEU 137 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 2qle h LEU 137 CO 0.00 0.00 0.14 0.61 0.09 0.00 0.00 178.44 179.28 2qle n GLY 138 N -1.38 3.00 3.79 0.83 0.00 -0.08 -4.87 105.19 106.49 2qle n GLY 138 Ca -0.02 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.97 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 0.14 -1.14 -0.39 1.61 8.25 0.18 -4.84 115.22 119.02 2qle n HIS 139 Ca 0.28 0.23 0.06 0.00 -0.26 0.00 0.00 57.72 58.03 2qle n HIS 139 Cb 1.10 -1.96 0.17 0.00 1.12 0.00 0.00 29.99 30.43 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 -3.24 2.88 -3.31 -0.41 5.02 -0.01 -4.99 118.16 114.10 2qle n LYS 140 Ca -0.13 -2.24 -0.36 0.00 -2.02 0.00 0.00 58.31 53.55 2qle n LYS 140 Cb 0.43 -1.41 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.50 4.39 0.55 -0.35 1.43 -1.25 -0.13 118.68 121.82 2qle s LEU 141 Ca 0.27 1.16 -0.16 0.00 -1.03 0.00 0.00 54.13 54.37 2qle s LEU 141 Cb 0.17 -3.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.13 2qle s LEU 141 CO 0.13 0.14 1.02 -1.61 0.23 0.00 0.00 176.35 176.26 2qle s GLU 142 N -1.74 3.66 -1.32 1.70 2.02 -0.69 -4.77 118.70 117.56 2qle s GLU 142 Ca 0.36 1.06 -0.13 0.00 0.02 0.00 0.00 54.97 56.28 2qle s GLU 142 Cb -0.16 -2.09 0.12 0.00 0.10 0.00 0.00 34.13 32.10 2qle s GLU 142 CO 0.19 -0.51 1.85 0.98 0.02 0.00 0.00 175.26 177.79 2qle n TYR 143 N -1.80 3.79 -3.84 1.61 9.36 -1.26 -4.82 117.16 120.20 2qle n TYR 143 Ca 0.08 -2.97 -0.09 0.00 3.32 0.00 0.00 57.90 58.23 2qle n TYR 143 Cb 0.53 -2.26 0.02 0.00 -0.63 0.00 0.00 39.34 37.00 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 2.39 0.11 -0.05 2.98 2.20 -1.26 -4.91 114.94 116.39 2qle s ASN 144 Ca 0.44 -1.18 -0.23 0.00 -0.94 0.00 0.00 52.86 50.95 2qle s ASN 144 Cb 0.07 0.83 0.05 0.00 -2.00 0.00 0.00 41.25 40.20 2qle s ASN 144 CO -0.01 -1.65 0.52 -0.47 -2.94 0.00 0.00 177.10 172.55 2qle s TYR 145 N -2.41 -0.46 0.41 1.54 5.04 -1.26 -4.86 117.35 115.35 2qle s TYR 145 Ca 0.17 0.80 0.08 0.00 -2.44 0.00 0.00 57.07 55.67 2qle s TYR 145 Cb -0.05 0.26 -0.00 0.00 0.35 0.00 0.00 41.96 42.52 2qle s TYR 145 CO 0.12 -0.49 0.48 -0.80 -1.34 0.00 0.00 175.55 173.52 2qle s ASN 146 N -1.13 5.43 0.17 4.32 0.01 -1.26 -4.80 114.94 117.68 2qle s ASN 146 Ca -0.11 -0.54 -0.25 0.00 -0.71 0.00 0.00 52.86 51.25 2qle s ASN 146 Cb -0.02 -0.67 -0.08 0.00 0.41 0.00 0.00 41.25 40.89 2qle s ASN 146 CO 0.07 -0.68 0.78 -0.55 -1.51 0.00 0.00 177.10 175.21 2qle s SER 147 N -4.24 7.39 0.14 -1.22 0.15 -1.26 -4.45 113.70 110.20 2qle s SER 147 Ca 0.51 1.65 -0.00 0.00 0.70 0.00 0.00 55.95 58.81 2qle s SER 147 Cb -0.07 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2qle s SER 147 CO 0.31 0.20 0.03 -1.00 1.20 0.00 0.00 173.24 173.98 2qle s HIS 148 N -1.17 0.96 -0.11 3.44 3.76 -0.26 -4.97 115.29 116.94 2qle s HIS 148 Ca 0.36 -1.15 -0.01 0.00 -0.15 0.00 0.00 55.06 54.12 2qle s HIS 148 Cb -0.23 -0.55 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 2qle s HIS 148 CO 0.26 -0.40 -0.07 -0.80 -0.85 0.00 0.00 174.74 172.88 2qle s ASN 149 N -3.08 4.55 -0.17 1.40 0.02 -1.26 -1.15 114.94 115.25 2qle s ASN 149 Ca 0.23 -0.13 -0.01 0.00 -1.02 0.00 0.00 52.86 51.93 2qle s ASN 149 Cb 0.07 -1.46 -0.00 0.00 0.02 0.00 0.00 41.25 39.88 2qle s ASN 149 CO 0.02 0.25 -0.12 -0.69 0.02 0.00 0.00 177.10 176.58 2qle s VAL 150 N -0.17 2.86 -0.13 1.60 1.01 -0.29 -4.78 120.40 120.52 2qle s VAL 150 Ca 0.02 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 2qle s VAL 150 Cb -0.13 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 2qle s VAL 150 CO 0.03 0.50 0.26 -0.31 0.00 0.00 0.00 175.10 175.57 2qle s TYR 151 N 0.95 3.54 -0.04 5.22 2.02 -0.89 -1.17 117.35 126.97 2qle s TYR 151 Ca -0.02 0.62 0.07 0.00 -0.37 0.00 0.00 57.07 57.36 2qle s TYR 151 Cb -0.15 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.19 2qle s TYR 151 CO -0.01 0.44 -0.25 0.42 -1.57 0.00 0.00 175.55 174.58 2qle s ILE 152 N -0.20 2.10 0.06 2.71 1.01 -0.10 -2.11 121.20 124.67 2qle s ILE 152 Ca 0.16 -1.07 0.03 0.00 0.00 0.00 0.00 60.65 59.78 2qle s ILE 152 Cb -0.13 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2qle s ILE 152 CO 0.05 0.57 -0.10 -0.04 0.00 0.00 0.00 174.94 175.42 2qle s MET 153 N -0.37 0.65 0.52 2.79 -1.94 0.08 -2.56 119.30 118.47 2qle s MET 153 Ca 0.03 -0.86 -0.13 0.00 -1.71 0.00 0.00 55.69 53.02 2qle s MET 153 Cb -0.12 -0.48 -0.06 0.00 2.01 0.00 0.00 34.83 36.18 2qle s MET 153 CO 0.02 0.09 0.94 0.00 -0.01 0.00 0.00 175.02 176.06 2qle s ALA 154 N -1.47 3.17 -0.49 3.03 0.00 -1.25 -0.16 121.76 124.59 2qle s ALA 154 Ca -0.06 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.89 2qle s ALA 154 Cb -0.09 -2.97 0.15 0.00 0.00 0.00 0.00 23.12 20.21 2qle s ALA 154 CO 0.01 -0.34 0.31 0.34 0.00 0.00 0.00 175.76 176.09 2qle s ASP 155 N -3.52 3.41 0.25 0.00 2.15 0.57 -4.66 116.67 114.88 2qle s ASP 155 Ca 0.55 -2.97 -0.03 0.00 0.43 0.00 0.00 52.55 50.53 2qle s ASP 155 Cb -0.10 -1.02 0.45 0.00 -0.30 0.00 0.00 42.92 41.94 2qle s ASP 155 CO 0.39 -0.21 1.81 0.07 -0.17 0.00 0.00 175.17 177.06 2qle h LYS 156 N 6.22 0.77 -0.91 4.34 2.10 -1.95 -2.34 116.57 124.80 2qle h LYS 156 Ca 0.08 -0.05 0.14 0.00 -2.00 0.00 0.00 60.65 58.83 2qle h LYS 156 Cb 0.89 -0.17 -0.14 0.00 -0.90 0.00 0.00 32.23 31.90 2qle h LYS 156 CO 0.50 0.51 -0.36 1.04 -2.00 0.00 0.00 179.45 179.14 2qle n GLN 157 N -4.74 -0.22 -0.92 0.07 3.00 -1.26 -0.24 117.38 113.06 2qle n GLN 157 Ca 0.15 1.40 0.05 0.00 -0.01 0.00 0.00 57.00 58.59 2qle n GLN 157 Cb 0.32 -2.08 0.39 0.00 0.00 0.00 0.00 30.24 28.87 2qle n GLN 157 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2qle n LYS 158 N -5.33 4.71 -3.74 -1.09 4.01 -0.92 -4.93 118.16 110.86 2qle n LYS 158 Ca 0.09 -3.16 -0.29 0.00 -0.51 0.00 0.00 58.31 54.44 2qle n LYS 158 Cb 0.36 -2.26 -0.01 0.00 -0.51 0.00 0.00 35.03 32.61 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 0.47 -3.83 0.00 4.39 2.85 0.66 -4.78 115.26 115.03 2qle n ASN 159 Ca 0.30 -0.66 0.00 0.00 -0.11 0.00 0.00 54.58 54.11 2qle n ASN 159 Cb 1.23 -3.13 0.00 0.00 1.24 0.00 0.00 39.78 39.13 2qle n ASN 159 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2qle n GLY 160 N -1.34 4.96 3.26 8.20 0.00 -0.96 -4.30 105.19 115.01 2qle n GLY 160 Ca 0.03 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.19 0.81 -0.05 -0.61 -4.36 -0.75 -0.31 121.20 115.74 2qle s ILE 161 Ca 0.00 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 2qle s ILE 161 Cb 0.00 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.61 2qle s ILE 161 CO 0.00 -0.49 -0.12 -0.54 0.24 0.00 0.00 174.94 174.02 2qle s LYS 162 N -3.88 1.55 -0.02 0.37 3.01 0.78 -1.65 119.74 119.90 2qle s LYS 162 Ca 0.23 -0.42 0.06 0.00 -1.01 0.00 0.00 55.97 54.84 2qle s LYS 162 Cb 0.05 -1.32 -0.01 0.00 -1.01 0.00 0.00 37.83 35.54 2qle s LYS 162 CO 0.04 0.08 -0.20 0.08 0.51 0.00 0.00 175.35 175.86 2qle s VAL 163 N 0.48 1.61 -0.08 3.17 1.01 0.81 -0.74 120.40 126.67 2qle s VAL 163 Ca -0.11 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 2qle s VAL 163 Cb -0.14 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 34.93 2qle s VAL 163 CO 0.03 0.46 0.19 0.21 0.00 0.00 0.00 175.10 175.98 2qle s ASN 164 N -0.39 -0.19 -0.01 3.32 2.47 -0.89 -0.09 114.94 119.16 2qle s ASN 164 Ca 0.06 0.39 -0.29 0.00 0.42 0.00 0.00 52.86 53.43 2qle s ASN 164 Cb -0.09 0.35 0.10 0.00 -1.45 0.00 0.00 41.25 40.16 2qle s ASN 164 CO -0.00 -0.10 0.92 0.72 -3.72 0.00 0.00 177.10 174.92 2qle s PHE 165 N 0.52 -0.31 -0.21 0.43 -0.71 -1.12 -2.09 117.98 114.49 2qle s PHE 165 Ca -0.03 0.17 0.01 0.00 -1.04 0.00 0.00 56.93 56.04 2qle s PHE 165 Cb -0.05 0.54 0.05 0.00 -1.21 0.00 0.00 43.02 42.35 2qle s PHE 165 CO -0.03 -0.54 -0.08 0.21 -1.34 0.00 0.00 175.22 173.44 2qle s LYS 166 N -3.07 1.86 0.05 1.99 2.20 -1.26 -0.27 119.74 121.24 2qle s LYS 166 Ca 0.06 -0.89 -0.24 0.00 -0.36 0.00 0.00 55.97 54.54 2qle s LYS 166 Cb -0.01 -2.46 -0.06 0.00 -1.51 0.00 0.00 37.83 33.79 2qle s LYS 166 CO -0.08 -0.49 0.73 0.42 -0.36 0.00 0.00 175.35 175.57 2qle s ILE 167 N 1.40 4.72 -0.35 5.43 -1.09 -0.15 -4.87 121.20 126.29 2qle s ILE 167 Ca -0.03 1.56 -0.09 0.00 -2.23 0.00 0.00 60.65 59.86 2qle s ILE 167 Cb -0.17 -4.08 0.03 0.00 -1.58 0.00 0.00 42.46 36.66 2qle s ILE 167 CO -0.07 0.40 0.17 -0.13 -1.23 0.00 0.00 174.94 174.07 2qle s ARG 168 N -0.23 2.83 -0.29 2.79 0.52 -1.26 -0.32 118.95 122.98 2qle s ARG 168 Ca 0.37 -1.06 -0.08 0.00 -0.52 0.00 0.00 55.73 54.43 2qle s ARG 168 Cb -0.20 -3.62 -0.01 0.00 0.52 0.00 0.00 34.95 31.64 2qle s ARG 168 CO 0.22 -0.65 0.12 -1.01 0.02 0.00 0.00 175.30 174.00 2qle s HIS 169 N 1.51 3.14 0.22 -0.53 3.76 -0.29 -4.48 115.29 118.63 2qle s HIS 169 Ca 0.01 -0.56 -0.32 0.00 -0.15 0.00 0.00 55.06 54.05 2qle s HIS 169 Cb -0.19 -2.30 -0.12 0.00 1.11 0.00 0.00 32.58 31.08 2qle s HIS 169 CO 0.05 -0.43 1.69 -0.80 -0.85 0.00 0.00 174.74 174.40 2qle s ASN 170 N 1.60 6.39 0.14 1.40 0.02 -1.26 0.18 114.94 123.41 2qle s ASN 170 Ca 0.05 2.87 -0.03 0.00 -1.02 0.00 0.00 52.86 54.73 2qle s ASN 170 Cb -0.16 -2.61 -0.05 0.00 0.02 0.00 0.00 41.25 38.45 2qle s ASN 170 CO 0.05 -0.95 0.35 -0.63 0.02 0.00 0.00 177.10 175.94 2qle s ILE 171 N 0.96 5.21 0.55 0.60 1.01 0.54 -1.71 121.20 128.35 2qle s ILE 171 Ca 0.72 -0.12 0.21 0.00 0.00 0.00 0.00 60.65 61.47 2qle s ILE 171 Cb -0.49 -3.65 0.30 0.00 0.01 0.00 0.00 42.46 38.64 2qle s ILE 171 CO 0.35 0.01 2.18 1.05 0.00 0.00 0.00 174.94 178.53 2qle h GLU 172 N 2.69 0.00 0.00 2.79 4.11 -0.83 0.38 114.58 123.72 2qle h GLU 172 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2qle h GLU 172 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2qle h GLU 172 CO 0.72 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.40 2qle n ASP 173 N -4.29 0.00 0.00 3.06 5.75 -1.26 -4.82 116.55 114.98 2qle n ASP 173 Ca -0.03 -0.55 0.00 0.00 -0.01 0.00 0.00 54.79 54.20 2qle n ASP 173 Cb 0.10 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 2qle n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qle n GLY 174 N 0.27 2.76 0.81 6.12 0.00 0.13 -5.05 105.19 110.24 2qle n GLY 174 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.70 -4.18 1.61 2.88 -1.25 -4.59 113.62 106.39 2qle n SER 175 Ca 0.00 -0.50 -0.27 0.00 -1.33 0.00 0.00 58.87 56.76 2qle n SER 175 Cb 0.00 -0.24 -0.16 0.00 -0.75 0.00 0.00 64.21 63.06 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 -1.40 1.61 -0.31 2.46 1.01 -1.26 -0.34 120.40 122.17 2qle s VAL 176 Ca 0.17 -0.83 -0.08 0.00 0.00 0.00 0.00 61.98 61.24 2qle s VAL 176 Cb -0.02 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 35.00 2qle s VAL 176 CO 0.13 0.46 0.11 -1.58 0.00 0.00 0.00 175.10 174.22 2qle s GLN 177 N -0.14 3.06 0.36 2.72 2.00 0.13 -4.88 119.66 122.92 2qle s GLN 177 Ca -0.01 -0.89 -0.20 0.00 -2.00 0.00 0.00 55.36 52.27 2qle s GLN 177 Cb -0.11 -3.45 -0.10 0.00 0.80 0.00 0.00 33.01 30.15 2qle s GLN 177 CO 0.02 -0.48 0.87 -0.51 -0.50 0.00 0.00 175.29 174.68 2qle s LEU 178 N 1.51 4.07 -0.32 3.68 2.01 -1.26 -1.14 118.68 127.23 2qle s LEU 178 Ca 0.02 1.56 -0.01 0.00 0.01 0.00 0.00 54.13 55.72 2qle s LEU 178 Cb -0.18 -4.24 0.11 0.00 0.01 0.00 0.00 46.19 41.89 2qle s LEU 178 CO 0.03 -0.24 0.12 0.00 1.01 0.00 0.00 176.35 177.28 2qle s ALA 179 N -1.98 1.39 -0.30 4.21 0.00 0.56 -2.58 121.76 123.05 2qle s ALA 179 Ca 0.56 -1.67 -0.27 0.00 0.00 0.00 0.00 51.96 50.59 2qle s ALA 179 Cb -0.11 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.41 2qle s ALA 179 CO 0.17 -1.73 0.96 0.34 0.00 0.00 0.00 175.76 175.49 2qle s ASP 180 N 1.55 6.84 -0.15 0.00 -1.08 0.12 -0.97 116.67 122.98 2qle s ASP 180 Ca 0.11 0.93 -0.10 0.00 -0.52 0.00 0.00 52.55 52.97 2qle s ASP 180 Cb -0.18 -2.49 -0.05 0.00 -1.46 0.00 0.00 42.92 38.74 2qle s ASP 180 CO -0.23 -0.75 0.19 -1.00 0.52 0.00 0.00 175.17 173.90 2qle s HIS 181 N 3.32 3.52 -0.17 -5.34 3.76 0.63 -1.27 115.29 119.74 2qle s HIS 181 Ca 0.40 0.51 0.01 0.00 -0.15 0.00 0.00 55.06 55.83 2qle s HIS 181 Cb -0.13 -2.13 0.02 0.00 1.11 0.00 0.00 32.58 31.45 2qle s HIS 181 CO 0.13 0.47 -0.17 0.71 -0.85 0.00 0.00 174.74 175.03 2qle s TYR 182 N -0.24 2.52 0.03 1.40 2.02 -0.10 -2.78 117.35 120.21 2qle s TYR 182 Ca 0.14 -1.49 0.03 0.00 -0.37 0.00 0.00 57.07 55.38 2qle s TYR 182 Cb -0.12 -1.77 -0.02 0.00 -0.40 0.00 0.00 41.96 39.65 2qle s TYR 182 CO 0.03 -0.75 -0.10 -1.14 -1.57 0.00 0.00 175.55 172.01 2qle s GLN 183 N 1.37 0.69 -0.01 -0.62 0.74 0.88 -1.09 119.66 121.63 2qle s GLN 183 Ca 0.04 -0.62 -0.01 0.00 0.05 0.00 0.00 55.36 54.82 2qle s GLN 183 Cb -0.13 -0.62 -0.00 0.00 1.10 0.00 0.00 33.01 33.36 2qle s GLN 183 CO -0.12 0.15 0.02 1.14 -0.55 0.00 0.00 175.29 175.94 2qle s GLN 184 N -1.02 0.11 -0.01 1.67 -2.07 -0.55 -0.13 119.66 117.65 2qle s GLN 184 Ca -0.02 -0.10 0.04 0.00 -1.82 0.00 0.00 55.36 53.46 2qle s GLN 184 Cb -0.07 0.04 -0.01 0.00 -1.09 0.00 0.00 33.01 31.88 2qle s GLN 184 CO 0.01 -0.02 -0.13 -0.80 -1.32 0.00 0.00 175.29 173.02 2qle s ASN 185 N -0.33 1.60 0.00 12.60 -0.87 -0.66 -1.42 114.94 125.87 2qle s ASN 185 Ca -0.04 -0.25 -0.01 0.00 -1.57 0.00 0.00 52.86 51.00 2qle s ASN 185 Cb -0.02 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.25 40.98 2qle s ASN 185 CO -0.00 0.16 0.01 0.42 -2.57 0.00 0.00 177.10 175.11 2qle s THR 186 N -0.25 0.04 0.58 1.60 -4.23 -0.71 -1.80 115.64 110.86 2qle s THR 186 Ca 0.04 -0.32 -0.21 0.00 -1.18 0.00 0.00 61.69 60.02 2qle s THR 186 Cb -0.06 -0.12 -0.04 0.00 1.34 0.00 0.00 72.50 73.62 2qle s THR 186 CO -0.00 -0.18 1.34 -2.84 -0.54 0.00 0.00 174.62 172.40 2qle s PRO 187 N -0.52 2.96 -0.17 3.99 0.02 -1.26 -0.37 135.00 139.65 2qle s PRO 187 Ca -0.06 2.17 -0.21 0.00 0.02 0.00 0.00 61.00 62.93 2qle s PRO 187 Cb -0.04 -2.12 -0.23 0.00 0.02 0.00 0.00 34.50 32.14 2qle s PRO 187 CO -0.00 -1.31 0.40 0.82 -0.33 0.00 0.00 177.00 176.57 2qle h ILE 188 N 1.16 1.09 -3.57 2.83 2.04 -1.15 -3.44 117.51 116.47 2qle h ILE 188 Ca -0.51 -2.27 -0.42 0.00 1.00 0.00 0.00 64.86 62.67 2qle h ILE 188 Cb 1.31 2.56 0.19 0.00 -0.74 0.00 0.00 36.82 40.14 2qle h ILE 188 CO 0.56 0.48 0.19 -0.83 0.00 0.00 0.00 178.15 178.56 2qle s GLY 189 N -4.80 1.64 0.00 5.37 0.00 -1.26 -5.01 107.32 103.26 2qle s GLY 189 Ca -0.25 -1.08 0.18 0.00 0.00 0.00 0.00 44.72 43.58 2qle s GLY 189 CO 0.66 -0.19 1.08 1.22 0.00 0.00 0.00 173.10 175.87 2qle n ASP 190 N -4.60 2.52 -4.68 1.64 9.92 -1.26 -5.00 116.55 115.09 2qle n ASP 190 Ca 0.15 -1.76 -0.30 0.00 -0.53 0.00 0.00 54.79 52.34 2qle n ASP 190 Cb 0.60 0.01 0.16 0.00 -0.64 0.00 0.00 41.12 41.25 2qle n ASP 190 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2qle s GLY 191 N -1.55 1.66 0.63 0.44 0.00 -1.26 -4.97 107.32 102.27 2qle s GLY 191 Ca 0.21 0.35 -0.16 0.00 0.00 0.00 0.00 44.72 45.13 2qle s GLY 191 CO 0.24 0.80 1.12 -4.14 0.00 0.00 0.00 173.10 171.12 2qle s PRO 192 N -4.71 2.91 0.08 2.90 0.02 -1.26 -5.04 135.00 129.90 2qle s PRO 192 Ca 0.65 1.46 -0.00 0.00 0.02 0.00 0.00 61.00 63.13 2qle s PRO 192 Cb -0.21 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 2qle s PRO 192 CO 0.58 -1.17 -0.02 0.14 -0.33 0.00 0.00 177.00 176.20 2qle s VAL 193 N -2.19 0.34 -0.09 3.83 -7.23 -1.26 -4.83 120.40 108.96 2qle s VAL 193 Ca 0.69 -1.87 -0.18 0.00 -1.81 0.00 0.00 61.98 58.81 2qle s VAL 193 Cb -0.22 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 2qle s VAL 193 CO 0.38 -0.85 0.49 -0.76 -0.31 0.00 0.00 175.10 174.05 2qle s LEU 194 N -2.99 4.32 -0.17 1.32 1.43 -1.26 -5.05 118.68 116.28 2qle s LEU 194 Ca 0.12 0.88 -0.05 0.00 -1.03 0.00 0.00 54.13 54.05 2qle s LEU 194 Cb 0.07 -2.72 -0.03 0.00 0.03 0.00 0.00 46.19 43.54 2qle s LEU 194 CO -0.06 0.05 0.00 -0.76 0.23 0.00 0.00 176.35 175.81 2qle s LEU 195 N 0.33 3.48 0.58 1.79 1.43 -1.26 -4.24 118.68 120.80 2qle s LEU 195 Ca 0.27 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.32 2qle s LEU 195 Cb -0.16 -1.86 0.05 0.00 0.03 0.00 0.00 46.19 44.25 2qle s LEU 195 CO 0.12 0.17 0.82 -2.16 0.23 0.00 0.00 176.35 175.52 2qle s PRO 196 N 0.40 2.40 0.54 1.29 0.04 -1.26 -4.91 135.00 133.49 2qle s PRO 196 Ca -0.01 -0.80 -0.07 0.00 0.04 0.00 0.00 61.00 60.16 2qle s PRO 196 Cb -0.13 -2.45 -0.03 0.00 0.04 0.00 0.00 34.50 31.93 2qle s PRO 196 CO 0.02 -0.85 0.88 -0.51 0.04 0.00 0.00 177.00 176.57 2qle s ASP 197 N -4.48 6.18 0.29 6.66 1.01 -1.26 -3.97 116.67 121.10 2qle s ASP 197 Ca 0.59 1.07 -0.28 0.00 0.71 0.00 0.00 52.55 54.64 2qle s ASP 197 Cb -0.10 -2.27 -0.14 0.00 1.01 0.00 0.00 42.92 41.43 2qle s ASP 197 CO 0.40 -0.73 1.05 0.59 0.21 0.00 0.00 175.17 176.69 2qle n ASN 198 N -2.46 1.44 -1.83 0.27 4.13 -1.26 -4.86 115.26 110.69 2qle n ASN 198 Ca 0.03 1.18 -0.02 0.00 1.68 0.00 0.00 54.58 57.45 2qle n ASN 198 Cb 0.55 -1.30 0.01 0.00 -1.54 0.00 0.00 39.78 37.50 2qle n ASN 198 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qle n HIS 199 N 0.33 -0.99 -4.04 3.10 1.44 -1.06 -4.80 115.22 109.21 2qle n HIS 199 Ca 0.10 -0.52 -0.09 0.00 -2.01 0.00 0.00 57.72 55.20 2qle n HIS 199 Cb 0.32 0.26 -0.09 0.00 0.12 0.00 0.00 29.99 30.60 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 -4.88 0.54 -0.02 -1.40 -0.85 -0.41 -0.92 117.35 109.41 2qle s TYR 200 Ca 0.08 -0.97 0.04 0.00 -0.52 0.00 0.00 57.07 55.70 2qle s TYR 200 Cb -0.01 -0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.01 2qle s TYR 200 CO 0.03 -0.53 -0.13 -0.51 -1.52 0.00 0.00 175.55 172.89 2qle s LEU 201 N -2.96 2.82 -0.20 -3.49 1.43 -0.32 -0.63 118.68 115.33 2qle s LEU 201 Ca 0.14 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2qle s LEU 201 Cb 0.06 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.67 2qle s LEU 201 CO -0.04 0.32 -0.07 -0.55 0.23 0.00 0.00 176.35 176.23 2qle s SER 202 N -1.02 4.13 -0.02 2.29 0.15 0.18 -1.13 113.70 118.27 2qle s SER 202 Ca 0.13 -0.41 0.06 0.00 0.70 0.00 0.00 55.95 56.43 2qle s SER 202 Cb -0.11 -1.69 -0.01 0.00 -1.71 0.00 0.00 66.02 62.50 2qle s SER 202 CO 0.03 0.01 -0.20 0.28 1.20 0.00 0.00 173.24 174.56 2qle s THR 203 N 1.31 1.60 -0.10 6.45 -1.32 -0.30 -1.65 115.64 121.64 2qle s THR 203 Ca 0.04 -0.85 0.04 0.00 -1.21 0.00 0.00 61.69 59.70 2qle s THR 203 Cb -0.14 -1.34 -0.00 0.00 -1.51 0.00 0.00 72.50 69.51 2qle s THR 203 CO -0.03 0.45 -0.23 -1.10 -2.21 0.00 0.00 174.62 171.50 2qle s GLN 204 N -0.37 3.01 -0.07 7.08 -0.21 -0.58 -1.11 119.66 127.41 2qle s GLN 204 Ca 0.05 -0.86 0.03 0.00 0.02 0.00 0.00 55.36 54.61 2qle s GLN 204 Cb -0.09 -2.32 0.00 0.00 1.00 0.00 0.00 33.01 31.61 2qle s GLN 204 CO -0.00 0.22 -0.17 0.08 -2.12 0.00 0.00 175.29 173.30 2qle s VAL 205 N 0.25 1.45 -0.20 1.09 1.01 -1.26 -1.67 120.40 121.06 2qle s VAL 205 Ca -0.15 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 2qle s VAL 205 Cb -0.17 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 2qle s VAL 205 CO 0.08 0.42 -0.06 0.00 0.00 0.00 0.00 175.10 175.54 2qle s ALA 206 N 0.39 2.81 -0.05 5.51 0.00 0.15 -4.59 121.76 125.98 2qle s ALA 206 Ca -0.12 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.73 2qle s ALA 206 Cb -0.15 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 2qle s ALA 206 CO 0.04 -0.25 0.08 -0.51 0.00 0.00 0.00 175.76 175.13 2qle s LEU 207 N 1.17 3.97 0.00 0.00 1.43 -1.26 -1.09 118.68 122.90 2qle s LEU 207 Ca 0.02 0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.28 2qle s LEU 207 Cb -0.14 -2.16 0.03 0.00 0.03 0.00 0.00 46.19 43.94 2qle s LEU 207 CO -0.01 0.32 0.40 -1.54 0.23 0.00 0.00 176.35 175.75 2qle n SER 208 N 1.53 -1.15 -4.37 2.29 3.41 -0.28 -4.97 113.62 110.08 2qle n SER 208 Ca -0.15 -1.89 -0.24 0.00 -0.26 0.00 0.00 58.87 56.33 2qle n SER 208 Cb 0.53 1.94 -0.11 0.00 -0.26 0.00 0.00 64.21 66.31 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 -2.12 1.36 -0.30 4.33 -0.14 -1.26 -1.82 119.74 119.79 2qle s LYS 209 Ca 0.10 -1.44 -0.10 0.00 -1.36 0.00 0.00 55.97 53.17 2qle s LYS 209 Cb -0.02 -1.53 -0.02 0.00 -1.68 0.00 0.00 37.83 34.57 2qle s LYS 209 CO 0.07 0.32 0.16 0.34 -0.76 0.00 0.00 175.35 175.48 2qle s ASP 210 N -2.62 5.63 0.37 2.83 2.15 -1.26 -4.94 116.67 118.82 2qle s ASP 210 Ca 0.17 -0.37 0.07 0.00 0.43 0.00 0.00 52.55 52.86 2qle s ASP 210 Cb -0.07 -2.03 0.72 0.00 -0.30 0.00 0.00 42.92 41.24 2qle s ASP 210 CO 0.08 -0.15 1.91 1.55 -0.17 0.00 0.00 175.17 178.39 2qle h PRO 211 N 8.35 0.36 0.00 4.34 0.13 -2.03 -0.84 132.00 142.31 2qle h PRO 211 Ca -0.34 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2qle h PRO 211 Cb 1.16 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qle h PRO 211 CO 0.60 0.44 0.00 0.09 -0.23 0.00 0.00 178.00 178.90 2qle n ASN 212 N -4.29 0.00 -4.61 1.44 4.13 -1.26 -4.75 115.26 105.91 2qle n ASN 212 Ca 0.00 -0.54 -0.41 0.00 1.68 0.00 0.00 54.58 55.31 2qle n ASN 212 Cb 0.25 -0.07 -0.06 0.00 -1.54 0.00 0.00 39.78 38.36 2qle n ASN 212 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2qle s GLU 213 N -2.14 3.99 0.01 3.52 2.56 -0.32 -4.94 118.70 121.37 2qle s GLU 213 Ca 0.31 0.53 0.15 0.00 0.00 0.00 0.00 54.97 55.95 2qle s GLU 213 Cb 0.15 -3.71 -0.19 0.00 2.00 0.00 0.00 34.13 32.39 2qle s GLU 213 CO 0.28 -0.59 0.74 1.63 -0.56 0.00 0.00 175.26 176.75 2qle n LYS 214 N 6.02 0.63 -1.58 4.30 4.76 -1.26 -4.92 118.16 126.10 2qle n LYS 214 Ca 0.02 0.26 -0.31 0.00 -2.87 0.00 0.00 58.31 55.41 2qle n LYS 214 Cb 0.48 -1.80 0.06 0.00 -1.84 0.00 0.00 35.03 31.93 2qle n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2qle s ARG 215 N -2.75 2.74 0.27 1.97 0.52 -1.26 -4.98 118.95 115.46 2qle s ARG 215 Ca -0.04 0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 55.73 2qle s ARG 215 Cb 0.08 -1.98 -0.10 0.00 0.52 0.00 0.00 34.95 33.48 2qle s ARG 215 CO 0.82 -1.21 1.36 0.34 0.02 0.00 0.00 175.30 176.63 2qle s ASP 216 N -3.85 6.76 0.19 0.23 -1.08 -1.26 -4.94 116.67 112.72 2qle s ASP 216 Ca 0.59 2.61 -0.16 0.00 -0.52 0.00 0.00 52.55 55.07 2qle s ASP 216 Cb -0.14 -2.63 0.06 0.00 -1.46 0.00 0.00 42.92 38.75 2qle s ASP 216 CO 0.55 -0.60 0.77 0.00 0.52 0.00 0.00 175.17 176.41 2qle n HIS 217 N 1.84 -1.43 -3.69 -5.34 1.44 -1.26 -2.09 115.22 104.69 2qle n HIS 217 Ca 0.04 -1.13 -0.10 0.00 -2.01 0.00 0.00 57.72 54.51 2qle n HIS 217 Cb 0.41 0.56 -0.10 0.00 0.12 0.00 0.00 29.99 30.98 2qle n HIS 217 CO 0.00 0.00 0.00 1.41 -2.81 0.00 0.00 176.34 174.94 2qle s MET 218 N -2.05 0.49 -0.14 -1.40 1.75 -0.63 -4.99 119.30 112.33 2qle s MET 218 Ca 0.17 0.84 -0.06 0.00 -1.25 0.00 0.00 55.69 55.39 2qle s MET 218 Cb -0.03 0.07 -0.04 0.00 2.84 0.00 0.00 34.83 37.68 2qle s MET 218 CO 0.06 -0.14 0.06 0.08 -0.65 0.00 0.00 175.02 174.43 2qle s VAL 219 N 1.18 4.82 -0.06 10.11 1.01 -0.76 -0.78 120.40 135.92 2qle s VAL 219 Ca -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.87 2qle s VAL 219 Cb -0.07 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.22 2qle s VAL 219 CO -0.11 0.53 -0.04 -0.22 0.00 0.00 0.00 175.10 175.26 2qle s LEU 220 N -0.27 1.15 -0.08 3.92 2.96 0.28 -1.13 118.68 125.51 2qle s LEU 220 Ca 0.08 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 2qle s LEU 220 Cb -0.12 -0.51 0.01 0.00 0.50 0.00 0.00 46.19 46.07 2qle s LEU 220 CO 0.01 -0.09 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.01 2qle s LEU 221 N 1.23 1.87 0.05 -0.68 1.43 -0.25 -0.88 118.68 121.45 2qle s LEU 221 Ca -0.06 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2qle s LEU 221 Cb -0.14 -1.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 2qle s LEU 221 CO -0.02 0.10 -0.09 -0.70 0.23 0.00 0.00 176.35 175.87 2qle s GLU 222 N 0.48 0.59 -0.08 1.70 2.12 -0.20 -0.67 118.70 122.64 2qle s GLU 222 Ca -0.16 -0.81 0.02 0.00 0.36 0.00 0.00 54.97 54.38 2qle s GLU 222 Cb -0.17 -0.39 0.01 0.00 0.26 0.00 0.00 34.13 33.85 2qle s GLU 222 CO 0.06 0.07 -0.14 -0.06 -0.54 0.00 0.00 175.26 174.65 2qle s PHE 223 N -1.42 1.70 -0.07 5.30 0.08 -0.67 -1.07 117.98 121.83 2qle s PHE 223 Ca -0.08 -0.69 -0.05 0.00 0.12 0.00 0.00 56.93 56.24 2qle s PHE 223 Cb -0.10 -1.23 0.03 0.00 -0.57 0.00 0.00 43.02 41.15 2qle s PHE 223 CO 0.01 -0.35 0.17 0.54 -0.10 0.00 0.00 175.22 175.49 2qle s VAL 224 N 0.74 -0.02 0.02 -0.44 0.11 0.49 -1.53 120.40 119.77 2qle s VAL 224 Ca -0.13 0.07 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 2qle s VAL 224 Cb -0.16 -0.26 -0.02 0.00 -1.53 0.00 0.00 36.38 34.42 2qle s VAL 224 CO 0.03 0.03 -0.03 0.28 -3.33 0.00 0.00 175.10 172.08 2qle s THR 225 N 0.55 0.11 0.56 5.04 -1.32 -0.66 -1.20 115.64 118.73 2qle s THR 225 Ca -0.04 -0.72 -0.13 0.00 -1.21 0.00 0.00 61.69 59.59 2qle s THR 225 Cb -0.05 -0.23 -0.06 0.00 -1.51 0.00 0.00 72.50 70.65 2qle s THR 225 CO -0.03 -0.38 0.99 0.00 -2.21 0.00 0.00 174.62 173.00 2qle s ALA 226 N -1.13 3.11 0.20 11.08 0.00 0.69 0.47 121.76 136.18 2qle s ALA 226 Ca -0.12 -0.00 -0.23 0.00 0.00 0.00 0.00 51.96 51.60 2qle s ALA 226 Cb -0.08 -3.06 0.05 0.00 0.00 0.00 0.00 23.12 20.03 2qle s ALA 226 CO -0.01 -0.47 0.79 0.00 0.00 0.00 0.00 175.76 176.07 2qle s ALA 227 N -2.91 -1.46 0.00 0.00 0.00 0.20 -4.63 121.76 112.95 2qle s ALA 227 Ca 0.56 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.58 2qle s ALA 227 Cb -0.11 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.77 2qle s ALA 227 CO 0.44 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2qle n GLY 228 N -0.43 0.72 2.94 0.00 0.00 -1.26 -1.28 105.19 105.87 2qle n GLY 228 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 1.33 -1.02 -0.61 1.01 -1.26 -4.91 121.20 113.74 2qle s ILE 229 Ca 0.00 -0.74 0.19 0.00 0.00 0.00 0.00 60.65 60.09 2qle s ILE 229 Cb 0.00 -1.44 -0.17 0.00 0.01 0.00 0.00 42.46 40.86 2qle s ILE 229 CO 0.00 0.18 0.82 0.35 0.00 0.00 0.00 174.94 176.29 2qle n THR 230 N 4.80 0.00 1.07 2.92 -2.24 -1.26 -4.81 114.28 114.76 2qle n THR 230 Ca -0.13 -0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.68 2qle n THR 230 Cb 0.48 1.03 0.16 0.00 -2.10 0.00 0.00 70.33 69.90 2qle n THR 230 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50