#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qy3 h GLY 4 N 0.00 0.00 2.00 3.14 0.00 -1.72 -3.02 103.07 103.47 1qy3 h GLY 4 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1qy3 h GLY 4 CO 0.00 0.00 -0.04 1.05 0.00 0.00 0.00 176.54 177.55 1qy3 h GLU 5 N 0.00 0.00 0.00 4.80 4.11 -1.91 -2.67 114.58 118.91 1qy3 h GLU 5 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1qy3 h GLU 5 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1qy3 h GLU 5 CO 0.01 0.04 0.00 0.39 0.07 0.00 0.00 179.01 179.52 1qy3 n GLU 6 N -3.27 0.20 0.00 1.06 1.02 -1.14 -1.92 120.64 116.59 1qy3 n GLU 6 Ca -0.01 0.43 0.13 0.00 -0.02 0.00 0.00 57.16 57.69 1qy3 n GLU 6 Cb 0.21 -1.89 0.48 0.00 -0.02 0.00 0.00 31.44 30.22 1qy3 n GLU 6 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1qy3 n LEU 7 N -2.27 0.83 -0.23 -4.62 4.77 -1.01 -4.04 117.00 110.44 1qy3 n LEU 7 Ca 0.02 -0.17 0.06 0.00 -0.03 0.00 0.00 56.01 55.89 1qy3 n LEU 7 Cb 0.23 -0.14 0.11 0.00 -2.33 0.00 0.00 43.42 41.29 1qy3 n LEU 7 CO 0.20 0.15 0.57 0.49 -1.33 0.00 0.00 177.39 177.47 1qy3 n PHE 8 N -0.73 0.19 0.26 -1.77 3.01 -0.81 -4.70 117.46 112.91 1qy3 n PHE 8 Ca 0.13 -0.76 0.14 0.00 1.01 0.00 0.00 57.45 57.98 1qy3 n PHE 8 Cb 0.32 -0.13 0.68 0.00 -0.01 0.00 0.00 39.48 40.34 1qy3 n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1qy3 h THR 9 N 0.48 0.37 -2.53 4.37 1.35 -1.70 -3.38 112.91 111.87 1qy3 h THR 9 Ca 0.00 -0.67 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1qy3 h THR 9 Cb 0.86 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 1qy3 h THR 9 CO 0.03 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1qy3 n GLY 10 N -0.27 5.73 3.70 5.82 0.00 -1.26 -4.79 105.19 114.12 1qy3 n GLY 10 Ca -0.01 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 1qy3 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qy3 s VAL 11 N -0.46 4.24 -0.11 1.61 1.01 -1.26 -4.50 120.40 120.94 1qy3 s VAL 11 Ca 0.00 1.60 0.02 0.00 0.00 0.00 0.00 61.98 63.60 1qy3 s VAL 11 Cb 0.00 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.37 1qy3 s VAL 11 CO 0.00 0.08 -0.18 -0.69 0.00 0.00 0.00 175.10 174.31 1qy3 s VAL 12 N 1.47 1.70 0.43 2.92 1.01 -0.55 -4.98 120.40 122.40 1qy3 s VAL 12 Ca 0.57 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 61.52 1qy3 s VAL 12 Cb -0.26 -1.52 -0.08 0.00 0.00 0.00 0.00 36.38 34.51 1qy3 s VAL 12 CO 0.26 0.48 1.21 -2.16 0.00 0.00 0.00 175.10 174.89 1qy3 s PRO 13 N 0.80 3.90 0.04 2.72 0.04 -1.26 -1.50 135.00 139.73 1qy3 s PRO 13 Ca -0.10 1.91 0.08 0.00 0.04 0.00 0.00 61.00 62.93 1qy3 s PRO 13 Cb -0.16 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 1qy3 s PRO 13 CO 0.01 -0.47 -0.23 0.42 0.04 0.00 0.00 177.00 176.76 1qy3 s ILE 14 N -1.41 1.89 -0.06 0.56 1.01 0.89 -1.70 121.20 122.38 1qy3 s ILE 14 Ca 0.60 -1.26 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1qy3 s ILE 14 Cb -0.32 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.55 1qy3 s ILE 14 CO 0.40 0.31 -0.07 -0.76 0.00 0.00 0.00 174.94 174.82 1qy3 s LEU 15 N -1.13 1.33 -0.08 2.97 1.43 -0.44 -2.46 118.68 120.30 1qy3 s LEU 15 Ca 0.09 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.02 1qy3 s LEU 15 Cb -0.09 -0.61 0.01 0.00 0.03 0.00 0.00 46.19 45.52 1qy3 s LEU 15 CO 0.02 -0.05 -0.17 -0.69 0.23 0.00 0.00 176.35 175.69 1qy3 s VAL 16 N 1.06 1.49 -0.11 -1.59 1.01 -0.35 -1.08 120.40 120.82 1qy3 s VAL 16 Ca -0.08 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1qy3 s VAL 16 Cb -0.14 -1.32 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1qy3 s VAL 16 CO -0.01 0.43 -0.08 -1.61 0.00 0.00 0.00 175.10 173.84 1qy3 s GLU 17 N 0.57 1.55 -0.05 2.72 0.41 -0.38 0.30 118.70 123.82 1qy3 s GLU 17 Ca -0.16 -0.27 0.05 0.00 -0.41 0.00 0.00 54.97 54.19 1qy3 s GLU 17 Cb -0.17 -1.59 -0.01 0.00 -1.78 0.00 0.00 34.13 30.59 1qy3 s GLU 17 CO 0.05 -0.26 -0.21 -1.17 -0.49 0.00 0.00 175.26 173.19 1qy3 s LEU 18 N 1.66 2.00 -0.15 1.80 2.96 0.14 -0.20 118.68 126.89 1qy3 s LEU 18 Ca 0.04 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 1qy3 s LEU 18 Cb -0.13 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.42 1qy3 s LEU 18 CO -0.08 0.21 -0.20 -1.81 -1.32 0.00 0.00 176.35 173.15 1qy3 s ASP 19 N -0.12 2.97 0.27 3.68 1.01 -0.51 -0.85 116.67 123.12 1qy3 s ASP 19 Ca -0.02 -0.58 0.05 0.00 0.71 0.00 0.00 52.55 52.71 1qy3 s ASP 19 Cb -0.12 -1.37 -0.06 0.00 1.01 0.00 0.00 42.92 42.38 1qy3 s ASP 19 CO 0.02 0.03 -0.01 -0.83 0.21 0.00 0.00 175.17 174.60 1qy3 s GLY 20 N 1.04 1.78 -0.27 0.21 0.00 0.95 -0.69 107.32 110.34 1qy3 s GLY 20 Ca -0.02 -1.89 -0.01 0.00 0.00 0.00 0.00 44.72 42.80 1qy3 s GLY 20 CO -0.06 -1.76 0.47 -0.35 0.00 0.00 0.00 173.10 171.40 1qy3 s ASP 21 N -3.40 -0.41 -0.24 1.64 -1.08 -0.65 -1.88 116.67 110.66 1qy3 s ASP 21 Ca 0.31 0.40 0.02 0.00 -0.52 0.00 0.00 52.55 52.76 1qy3 s ASP 21 Cb 0.06 1.53 0.05 0.00 -1.46 0.00 0.00 42.92 43.10 1qy3 s ASP 21 CO 0.11 -0.29 -0.10 -0.69 0.52 0.00 0.00 175.17 174.72 1qy3 s VAL 22 N 2.67 1.93 -1.41 1.11 1.01 -0.84 0.48 120.40 125.36 1qy3 s VAL 22 Ca 0.15 -1.40 -0.06 0.00 0.00 0.00 0.00 61.98 60.67 1qy3 s VAL 22 Cb -0.15 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.21 1qy3 s VAL 22 CO -0.19 0.02 0.48 0.59 0.00 0.00 0.00 175.10 175.99 1qy3 n ASN 23 N 4.54 -4.93 0.00 3.32 4.13 -0.53 -1.31 115.26 120.48 1qy3 n ASN 23 Ca -0.14 -0.27 0.00 0.00 1.68 0.00 0.00 54.58 55.85 1qy3 n ASN 23 Cb 0.44 -4.04 0.00 0.00 -1.54 0.00 0.00 39.78 34.64 1qy3 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qy3 n GLY 24 N -1.29 1.27 3.54 7.41 0.00 -1.26 -5.01 105.19 109.84 1qy3 n GLY 24 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 1qy3 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qy3 s HIS 25 N -2.47 2.69 0.17 1.61 3.76 -0.43 -5.02 115.29 115.60 1qy3 s HIS 25 Ca 0.00 0.08 -0.25 0.00 -0.15 0.00 0.00 55.06 54.74 1qy3 s HIS 25 Cb 0.00 -4.27 -0.08 0.00 1.11 0.00 0.00 32.58 29.34 1qy3 s HIS 25 CO 0.00 -1.50 0.77 0.15 -0.85 0.00 0.00 174.74 173.31 1qy3 s LYS 26 N 4.41 4.55 0.15 1.40 1.02 -1.26 -1.98 119.74 128.03 1qy3 s LYS 26 Ca 0.34 1.14 -0.19 0.00 0.02 0.00 0.00 55.97 57.29 1qy3 s LYS 26 Cb -0.11 -3.24 0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1qy3 s LYS 26 CO 0.20 0.57 0.49 -0.59 -0.92 0.00 0.00 175.35 175.10 1qy3 s PHE 27 N -1.17 -0.29 0.00 3.18 -0.71 -0.79 -4.99 117.98 113.23 1qy3 s PHE 27 Ca 0.36 -0.01 0.02 0.00 -1.04 0.00 0.00 56.93 56.26 1qy3 s PHE 27 Cb -0.23 0.38 -0.01 0.00 -1.21 0.00 0.00 43.02 41.96 1qy3 s PHE 27 CO 0.26 -0.80 -0.06 -1.12 -1.34 0.00 0.00 175.22 172.15 1qy3 s SER 28 N -2.80 0.74 -0.05 1.98 0.01 -1.26 -0.03 113.70 112.29 1qy3 s SER 28 Ca 0.04 -0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.16 1qy3 s SER 28 Cb 0.00 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.17 1qy3 s SER 28 CO -0.10 0.04 -0.15 -0.69 0.41 0.00 0.00 173.24 172.75 1qy3 s VAL 29 N -0.31 1.25 -0.12 3.43 1.01 -0.02 -1.83 120.40 123.80 1qy3 s VAL 29 Ca 0.01 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1qy3 s VAL 29 Cb -0.03 -1.10 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 1qy3 s VAL 29 CO -0.00 0.37 -0.20 -0.44 0.00 0.00 0.00 175.10 174.83 1qy3 s SER 30 N 0.24 3.40 0.01 3.32 0.01 0.23 -0.68 113.70 120.22 1qy3 s SER 30 Ca -0.07 -0.50 0.07 0.00 1.31 0.00 0.00 55.95 56.77 1qy3 s SER 30 Cb -0.12 -1.49 -0.02 0.00 0.21 0.00 0.00 66.02 64.60 1qy3 s SER 30 CO 0.02 0.14 -0.22 -0.83 0.41 0.00 0.00 173.24 172.76 1qy3 s GLY 31 N 0.50 1.14 0.02 3.44 0.00 0.15 -0.42 107.32 112.15 1qy3 s GLY 31 Ca -0.13 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.56 1qy3 s GLY 31 CO 0.05 -0.90 -0.03 -0.54 0.00 0.00 0.00 173.10 171.67 1qy3 s GLU 32 N -0.82 0.30 0.00 2.90 2.02 -0.89 -1.21 118.70 121.01 1qy3 s GLU 32 Ca 0.09 -0.49 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1qy3 s GLU 32 Cb -0.09 -0.02 0.00 0.00 0.10 0.00 0.00 34.13 34.12 1qy3 s GLU 32 CO 0.00 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.68 1qy3 n GLY 33 N 1.96 -0.53 3.18 -1.39 0.00 -1.03 -1.18 105.19 106.20 1qy3 n GLY 33 Ca -0.21 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 1qy3 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1qy3 s GLU 34 N -1.36 0.77 0.02 1.61 -1.05 -0.50 -0.07 118.70 118.12 1qy3 s GLU 34 Ca 0.00 -0.90 0.03 0.00 -0.15 0.00 0.00 54.97 53.95 1qy3 s GLU 34 Cb 0.00 0.31 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 1qy3 s GLU 34 CO 0.00 -0.23 -0.09 0.20 0.95 0.00 0.00 175.26 176.09 1qy3 s GLY 35 N -2.65 0.50 -0.38 -3.83 0.00 -0.57 -1.73 107.32 98.67 1qy3 s GLY 35 Ca 0.02 -0.57 0.01 0.00 0.00 0.00 0.00 44.72 44.18 1qy3 s GLY 35 CO -0.09 -0.55 0.19 -0.35 0.00 0.00 0.00 173.10 172.30 1qy3 s ASP 36 N -0.81 3.60 0.56 1.64 3.68 0.32 -1.47 116.67 124.19 1qy3 s ASP 36 Ca -0.01 -2.23 0.26 0.00 2.13 0.00 0.00 52.55 52.69 1qy3 s ASP 36 Cb -0.06 -0.83 1.53 0.00 -1.45 0.00 0.00 42.92 42.10 1qy3 s ASP 36 CO 0.00 -0.32 2.09 0.00 0.13 0.00 0.00 175.17 177.07 1qy3 h ALA 37 N 7.20 2.00 0.00 3.66 0.00 -1.74 -1.20 119.26 129.18 1qy3 h ALA 37 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1qy3 h ALA 37 Cb 0.96 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1qy3 h ALA 37 CO 0.43 -0.32 -0.04 1.15 0.00 0.00 0.00 179.25 180.48 1qy3 h THR 38 N 0.00 0.67 0.00 0.00 2.02 -1.87 -2.31 112.91 111.42 1qy3 h THR 38 Ca 0.11 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1qy3 h THR 38 Cb 0.50 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1qy3 h THR 38 CO -0.00 0.04 0.00 -1.22 0.37 0.00 0.00 175.52 174.71 1qy3 n TYR 39 N -3.97 0.00 -2.23 3.16 4.01 -0.82 -4.98 117.16 112.33 1qy3 n TYR 39 Ca -0.03 -0.12 -0.21 0.00 -0.16 0.00 0.00 57.90 57.39 1qy3 n TYR 39 Cb 0.13 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 1qy3 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qy3 n GLY 40 N -0.12 0.01 3.73 2.72 0.00 -0.53 -4.80 105.19 106.21 1qy3 n GLY 40 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1qy3 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qy3 s LYS 41 N -4.77 4.26 -0.10 1.61 2.20 -0.77 -1.47 119.74 120.69 1qy3 s LYS 41 Ca 0.00 0.24 0.02 0.00 -0.36 0.00 0.00 55.97 55.87 1qy3 s LYS 41 Cb 0.00 -3.41 0.02 0.00 -1.51 0.00 0.00 37.83 32.92 1qy3 s LYS 41 CO 0.00 0.24 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.59 1qy3 s LEU 42 N 0.42 1.63 -0.21 5.43 1.43 0.13 -0.52 118.68 126.99 1qy3 s LEU 42 Ca 0.20 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 1qy3 s LEU 42 Cb -0.14 -0.99 0.05 0.00 0.03 0.00 0.00 46.19 45.14 1qy3 s LEU 42 CO 0.07 0.00 -0.08 0.42 0.23 0.00 0.00 176.35 176.98 1qy3 s THR 43 N 1.01 1.56 0.04 5.49 -4.23 -0.70 -0.80 115.64 118.01 1qy3 s THR 43 Ca -0.07 -1.03 0.01 0.00 -1.18 0.00 0.00 61.69 59.42 1qy3 s THR 43 Cb -0.15 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 1qy3 s THR 43 CO -0.01 0.09 -0.06 -0.76 -0.54 0.00 0.00 174.62 173.34 1qy3 s LEU 44 N 1.42 2.29 -0.16 4.79 1.43 -0.15 -1.41 118.68 126.89 1qy3 s LEU 44 Ca -0.02 -0.60 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1qy3 s LEU 44 Cb -0.17 -0.04 0.04 0.00 0.03 0.00 0.00 46.19 46.05 1qy3 s LEU 44 CO -0.08 -0.29 -0.05 -0.75 0.23 0.00 0.00 176.35 175.42 1qy3 s LYS 45 N -1.90 1.35 -0.14 1.70 2.20 -0.33 -0.04 119.74 122.59 1qy3 s LYS 45 Ca -0.09 -0.45 -0.06 0.00 -0.36 0.00 0.00 55.97 55.02 1qy3 s LYS 45 Cb -0.07 -1.91 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 1qy3 s LYS 45 CO -0.01 -0.42 0.06 -0.06 -0.36 0.00 0.00 175.35 174.56 1qy3 s PHE 46 N 1.67 3.31 -0.05 4.03 0.40 0.37 -2.09 117.98 125.62 1qy3 s PHE 46 Ca 0.01 0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.59 1qy3 s PHE 46 Cb -0.15 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.42 1qy3 s PHE 46 CO -0.08 0.38 -0.15 0.42 0.70 0.00 0.00 175.22 176.50 1qy3 s ILE 47 N -0.32 1.27 -0.49 0.64 1.01 0.45 -0.90 121.20 122.86 1qy3 s ILE 47 Ca 0.09 -0.60 -0.25 0.00 0.00 0.00 0.00 60.65 59.88 1qy3 s ILE 47 Cb -0.12 -1.12 0.03 0.00 0.01 0.00 0.00 42.46 41.26 1qy3 s ILE 47 CO 0.02 0.38 0.95 0.00 0.00 0.00 0.00 174.94 176.28 1qy3 n THR 49 N 6.38 0.00 1.03 0.00 -2.24 -0.76 -3.65 114.28 115.04 1qy3 n THR 49 Ca 0.05 -0.01 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 1qy3 n THR 49 Cb 0.48 -0.40 0.06 0.00 -2.10 0.00 0.00 70.33 68.37 1qy3 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qy3 n THR 50 N -1.38 0.00 0.00 4.28 -2.24 -1.25 -5.00 114.28 108.69 1qy3 n THR 50 Ca 0.10 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 1qy3 n THR 50 Cb 0.30 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 1qy3 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qy3 n GLY 51 N 1.39 0.25 3.77 3.38 0.00 -1.24 -5.01 105.19 107.73 1qy3 n GLY 51 Ca 0.11 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.45 1qy3 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qy3 s LYS 52 N 0.00 4.53 -0.13 1.61 2.20 -1.26 -4.44 119.74 122.25 1qy3 s LYS 52 Ca 0.00 1.11 -0.29 0.00 -0.36 0.00 0.00 55.97 56.43 1qy3 s LYS 52 Cb 0.00 -3.28 -0.01 0.00 -1.51 0.00 0.00 37.83 33.03 1qy3 s LYS 52 CO 0.00 0.53 1.04 -1.17 -0.36 0.00 0.00 175.35 175.39 1qy3 s LEU 53 N -0.95 4.22 0.00 5.43 2.96 -1.26 -4.94 118.68 124.14 1qy3 s LEU 53 Ca 0.36 1.53 0.24 0.00 -0.22 0.00 0.00 54.13 56.04 1qy3 s LEU 53 Cb -0.22 -3.55 1.21 0.00 0.50 0.00 0.00 46.19 44.12 1qy3 s LEU 53 CO 0.25 -0.52 1.78 -0.81 -1.32 0.00 0.00 176.35 175.74 1qy3 n PRO 54 N 5.36 0.36 -4.31 0.98 -0.04 -1.26 -4.79 135.00 131.30 1qy3 n PRO 54 Ca 0.10 0.06 -0.19 0.00 -0.04 0.00 0.00 63.50 63.42 1qy3 n PRO 54 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 1qy3 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qy3 s VAL 55 N -2.54 1.62 0.46 0.52 -7.23 -1.26 -4.59 120.40 107.38 1qy3 s VAL 55 Ca 0.23 -1.95 -0.23 0.00 -1.81 0.00 0.00 61.98 58.23 1qy3 s VAL 55 Cb 0.16 -1.81 -0.08 0.00 0.56 0.00 0.00 36.38 35.22 1qy3 s VAL 55 CO 0.36 -0.44 1.14 -2.84 -0.31 0.00 0.00 175.10 173.00 1qy3 s PRO 56 N -3.04 3.78 0.29 4.82 0.02 -1.26 -4.96 135.00 134.65 1qy3 s PRO 56 Ca 0.16 1.70 0.02 0.00 0.02 0.00 0.00 61.00 62.90 1qy3 s PRO 56 Cb -0.04 -2.38 0.57 0.00 0.02 0.00 0.00 34.50 32.68 1qy3 s PRO 56 CO 0.05 -0.52 1.83 -1.49 -0.33 0.00 0.00 177.00 176.55 1qy3 h TRP 57 N 2.01 1.14 0.00 6.54 4.06 -1.95 -2.53 115.95 125.22 1qy3 h TRP 57 Ca -0.49 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.48 1qy3 h TRP 57 Cb 1.24 -0.36 -0.00 0.00 -1.00 0.00 0.00 29.16 29.04 1qy3 h TRP 57 CO 0.54 0.44 -0.04 -1.35 -3.56 0.00 0.00 178.44 174.47 1qy3 h PRO 58 N 0.98 0.00 0.00 0.49 0.11 -1.88 -1.84 132.00 129.86 1qy3 h PRO 58 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1qy3 h PRO 58 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1qy3 h PRO 58 CO -0.27 0.04 0.00 1.79 -0.21 0.00 0.00 178.00 179.35 1qy3 h THR 59 N 0.00 0.00 -0.01 -1.15 1.35 -1.84 -2.97 112.91 108.29 1qy3 h THR 59 Ca -0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1qy3 h THR 59 Cb 0.11 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1qy3 h THR 59 CO 0.01 0.00 -0.55 0.18 -0.25 0.00 0.00 175.52 174.90 1qy3 n LEU 60 N -2.70 1.58 -0.12 3.87 4.77 -0.70 -4.63 117.00 119.08 1qy3 n LEU 60 Ca 0.01 -0.69 -0.06 0.00 -0.03 0.00 0.00 56.01 55.25 1qy3 n LEU 60 Cb 0.28 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 1qy3 n LEU 60 CO 0.24 0.31 0.94 0.58 -1.33 0.00 0.00 177.39 178.13 1qy3 h VAL 61 N 1.54 0.87 -0.36 4.08 2.07 -1.47 -0.26 116.25 122.72 1qy3 h VAL 61 Ca 0.00 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1qy3 h VAL 61 Cb 0.60 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1qy3 h VAL 61 CO 0.00 0.05 -0.06 0.71 0.02 0.00 0.00 177.57 178.29 1qy3 h THR 62 N 0.27 1.23 -0.21 2.57 1.35 -1.82 0.19 112.91 116.49 1qy3 h THR 62 Ca 0.18 -0.96 -0.12 0.00 -0.55 0.00 0.00 66.41 64.95 1qy3 h THR 62 Cb 0.17 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1qy3 h THR 62 CO -0.19 0.32 -0.35 0.74 -0.25 0.00 0.00 175.52 175.79 1qy3 h THR 63 N 0.55 1.32 0.00 6.82 2.02 -1.77 -0.43 112.91 121.42 1qy3 h THR 63 Ca 0.11 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.72 1qy3 h THR 63 Cb 0.44 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1qy3 h THR 63 CO 0.02 0.49 0.00 -0.07 0.37 0.00 0.00 175.52 176.33 1qy3 h LEU 64 N 0.30 0.00 -0.42 2.58 3.38 -0.78 -3.26 115.31 117.11 1qy3 h LEU 64 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1qy3 h LEU 64 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1qy3 h LEU 64 CO 0.08 0.00 -0.28 0.35 0.09 0.00 0.00 178.44 178.68 1qy3 n THR 65 N -2.73 0.00 -0.00 0.22 -2.24 0.03 -4.64 114.28 104.92 1qy3 n THR 65 Ca 0.03 -0.36 -0.11 0.00 -2.27 0.00 0.00 64.05 61.35 1qy3 n THR 65 Cb 0.40 1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 69.64 1qy3 n THR 65 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1qy3 h TYR 66 N 0.58 0.06 0.00 4.78 -0.00 -1.11 -2.64 116.97 118.65 1qy3 h TYR 66 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 1qy3 h TYR 66 Cb 0.26 -0.01 0.00 0.00 -0.00 0.00 0.00 36.73 36.98 1qy3 h TYR 66 CO 0.00 0.03 0.00 0.41 -0.00 0.00 0.00 178.16 178.60 1qy3 n GLY 67 N -1.13 -1.05 1.31 1.82 0.00 -1.26 -2.69 105.19 102.19 1qy3 n GLY 67 Ca -0.05 0.05 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1qy3 n GLY 67 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1qy3 n VAL 68 N -1.93 2.57 0.89 1.61 0.24 -0.99 -4.53 118.33 116.20 1qy3 n VAL 68 Ca 0.02 -2.07 0.09 0.00 -2.04 0.00 0.00 64.34 60.34 1qy3 n VAL 68 Cb 0.16 -0.31 0.46 0.00 -1.47 0.00 0.00 33.84 32.68 1qy3 n VAL 68 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qy3 n GLN 69 N -0.62 0.31 0.01 7.34 6.02 -1.10 -1.78 117.38 127.57 1qy3 n GLN 69 Ca 0.31 0.10 0.11 0.00 -0.01 0.00 0.00 57.00 57.51 1qy3 n GLN 69 Cb 1.10 -1.50 0.48 0.00 1.02 0.00 0.00 30.24 31.34 1qy3 n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qy3 n PHE 71 N -1.59 1.23 -2.40 0.00 3.72 -0.73 -4.68 117.46 113.01 1qy3 n PHE 71 Ca 0.05 -0.53 -0.39 0.00 -0.05 0.00 0.00 57.45 56.53 1qy3 n PHE 71 Cb 0.28 -0.15 -0.03 0.00 -0.94 0.00 0.00 39.48 38.63 1qy3 n PHE 71 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1qy3 s SER 72 N -0.91 6.99 -0.46 4.37 0.01 -1.07 -4.05 113.70 118.58 1qy3 s SER 72 Ca 0.47 2.32 -0.26 0.00 1.31 0.00 0.00 55.95 59.79 1qy3 s SER 72 Cb 0.28 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.92 1qy3 s SER 72 CO 0.26 -0.34 0.95 -0.60 0.41 0.00 0.00 173.24 173.91 1qy3 s ARG 73 N -1.79 3.56 -0.32 12.44 3.52 -0.41 -4.82 118.95 131.12 1qy3 s ARG 73 Ca 0.49 0.21 -0.15 0.00 -0.13 0.00 0.00 55.73 56.15 1qy3 s ARG 73 Cb -0.32 -3.92 -0.02 0.00 -1.56 0.00 0.00 34.95 29.13 1qy3 s ARG 73 CO 0.41 -1.23 0.34 0.71 -0.81 0.00 0.00 175.30 174.72 1qy3 s TYR 74 N 3.82 3.22 0.68 5.12 1.51 -1.26 -0.97 117.35 129.46 1qy3 s TYR 74 Ca 0.38 0.07 -0.17 0.00 -1.01 0.00 0.00 57.07 56.35 1qy3 s TYR 74 Cb -0.10 -2.62 -0.01 0.00 -0.11 0.00 0.00 41.96 39.12 1qy3 s TYR 74 CO 0.27 -0.36 0.96 -2.30 -1.11 0.00 0.00 175.55 173.01 1qy3 n PRO 75 N 5.33 0.64 -0.35 -1.71 -0.02 -1.26 -4.71 135.00 132.93 1qy3 n PRO 75 Ca -0.10 0.27 0.14 0.00 -2.02 0.00 0.00 63.50 61.80 1qy3 n PRO 75 Cb 0.50 -2.20 0.35 0.00 -0.02 0.00 0.00 33.50 32.12 1qy3 n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1qy3 h ASP 76 N -0.00 0.74 0.60 2.55 3.58 -2.01 0.81 116.42 122.69 1qy3 h ASP 76 Ca -0.48 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1qy3 h ASP 76 Cb 1.35 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.37 1qy3 h ASP 76 CO 0.48 0.23 0.00 0.00 -2.88 0.00 0.00 179.24 177.07 1qy3 n HIS 77 N -4.78 0.25 -0.10 0.28 1.44 -1.26 -2.48 115.22 108.58 1qy3 n HIS 77 Ca 0.24 0.10 0.05 0.00 -2.01 0.00 0.00 57.72 56.10 1qy3 n HIS 77 Cb 0.63 -0.66 0.12 0.00 0.12 0.00 0.00 29.99 30.19 1qy3 n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 1qy3 n MET 78 N -1.73 2.66 0.23 -1.40 2.81 0.25 -4.75 117.12 115.18 1qy3 n MET 78 Ca 0.03 -1.87 0.16 0.00 -1.81 0.00 0.00 57.70 54.21 1qy3 n MET 78 Cb 0.20 -1.22 0.84 0.00 -0.71 0.00 0.00 33.22 32.33 1qy3 n MET 78 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1qy3 h LYS 79 N 1.68 0.00 0.00 0.03 2.10 -1.15 -1.28 116.57 117.95 1qy3 h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1qy3 h LYS 79 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1qy3 h LYS 79 CO 0.00 0.00 0.00 1.04 -2.00 0.00 0.00 179.45 178.49 1qy3 n GLN 80 N -3.90 0.64 -0.25 0.07 3.00 -1.26 -3.25 117.38 112.43 1qy3 n GLN 80 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.08 1qy3 n GLN 80 Cb 0.24 -1.50 0.22 0.00 0.00 0.00 0.00 30.24 29.20 1qy3 n GLN 80 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1qy3 n HIS 81 N -1.17 0.66 -3.06 1.08 8.25 -0.48 -4.64 115.22 115.85 1qy3 n HIS 81 Ca 0.18 -0.48 -0.45 0.00 -0.26 0.00 0.00 57.72 56.71 1qy3 n HIS 81 Cb 0.19 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 1qy3 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1qy3 s ASP 82 N -1.01 6.75 0.04 0.41 -1.08 -1.20 -4.60 116.67 115.97 1qy3 s ASP 82 Ca 0.33 -2.40 -0.23 0.00 -0.52 0.00 0.00 52.55 49.73 1qy3 s ASP 82 Cb 0.18 -2.34 -0.16 0.00 -1.46 0.00 0.00 42.92 39.14 1qy3 s ASP 82 CO 0.23 -0.86 1.48 0.15 0.52 0.00 0.00 175.17 176.69 1qy3 h PHE 83 N 8.26 0.12 -0.52 -5.34 3.57 -1.90 -3.13 116.94 118.00 1qy3 h PHE 83 Ca 0.16 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.74 1qy3 h PHE 83 Cb 1.00 -0.03 -0.10 0.00 2.79 0.00 0.00 35.95 39.61 1qy3 h PHE 83 CO 1.11 0.37 -0.33 0.74 -2.23 0.00 0.00 178.31 177.96 1qy3 h PHE 84 N -0.16 -0.91 -0.01 0.41 0.04 -1.89 -2.15 116.94 112.27 1qy3 h PHE 84 Ca 0.02 0.07 -0.13 0.00 2.80 0.00 0.00 57.97 60.73 1qy3 h PHE 84 Cb 0.32 0.48 -0.02 0.00 2.20 0.00 0.00 35.95 38.92 1qy3 h PHE 84 CO 0.03 -0.38 -0.60 0.87 -0.60 0.00 0.00 178.31 177.63 1qy3 h LYS 85 N -0.19 0.04 0.00 1.51 1.57 -1.84 -3.18 116.57 114.48 1qy3 h LYS 85 Ca 0.21 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 1qy3 h LYS 85 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1qy3 h LYS 85 CO -0.62 0.63 -0.31 0.66 -0.57 0.00 0.00 179.45 179.23 1qy3 h SER 86 N 0.03 0.00 0.83 0.86 4.64 -1.35 -2.66 113.55 115.91 1qy3 h SER 86 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1qy3 h SER 86 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1qy3 h SER 86 CO 0.08 0.31 0.00 0.00 -0.87 0.00 0.00 176.83 176.35 1qy3 n ALA 87 N -2.32 2.32 -2.05 5.18 0.00 -0.87 -4.53 120.51 118.24 1qy3 n ALA 87 Ca -0.01 -0.11 -0.32 0.00 0.00 0.00 0.00 53.44 53.00 1qy3 n ALA 87 Cb 0.43 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.37 1qy3 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1qy3 s MET 88 N -2.87 4.00 0.48 0.00 1.00 -1.00 -0.09 119.30 120.82 1qy3 s MET 88 Ca 0.18 0.76 0.27 0.00 0.00 0.00 0.00 55.69 56.89 1qy3 s MET 88 Cb 0.19 -2.34 0.84 0.00 0.00 0.00 0.00 34.83 33.51 1qy3 s MET 88 CO 0.49 0.04 1.79 -1.00 0.00 0.00 0.00 175.02 176.33 1qy3 h PRO 89 N 1.86 0.00 -0.29 2.03 0.13 -1.88 -3.36 132.00 130.48 1qy3 h PRO 89 Ca -0.48 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1qy3 h PRO 89 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1qy3 h PRO 89 CO 0.64 0.06 0.12 0.93 -0.23 0.00 0.00 178.00 179.51 1qy3 h GLU 90 N 0.00 0.39 0.00 0.86 3.07 -1.91 -2.09 114.58 114.91 1qy3 h GLU 90 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1qy3 h GLU 90 Cb 0.78 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 1qy3 h GLU 90 CO 0.01 0.33 0.00 0.41 -1.40 0.00 0.00 179.01 178.35 1qy3 n GLY 91 N -1.30 -1.73 3.22 -3.84 0.00 0.87 -4.67 105.19 97.74 1qy3 n GLY 91 Ca 0.01 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 1qy3 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qy3 s TYR 92 N 0.00 -0.04 -0.00 1.61 -0.85 -0.59 -1.40 117.35 116.08 1qy3 s TYR 92 Ca 0.00 -0.12 -0.19 0.00 -0.52 0.00 0.00 57.07 56.23 1qy3 s TYR 92 Cb 0.00 0.05 -0.06 0.00 0.38 0.00 0.00 41.96 42.33 1qy3 s TYR 92 CO 0.00 -0.47 0.56 0.08 -1.52 0.00 0.00 175.55 174.19 1qy3 s VAL 93 N -2.54 4.92 -0.09 -3.49 1.01 0.84 -2.01 120.40 119.03 1qy3 s VAL 93 Ca -0.05 1.16 0.02 0.00 0.00 0.00 0.00 61.98 63.11 1qy3 s VAL 93 Cb -0.01 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1qy3 s VAL 93 CO -0.03 0.45 -0.16 -1.10 0.00 0.00 0.00 175.10 174.26 1qy3 s GLN 94 N -0.39 2.98 -0.06 2.72 -0.21 0.13 -1.65 119.66 123.17 1qy3 s GLN 94 Ca 0.29 -0.73 -0.01 0.00 0.02 0.00 0.00 55.36 54.94 1qy3 s GLN 94 Cb -0.18 -2.47 0.03 0.00 1.00 0.00 0.00 33.01 31.38 1qy3 s GLN 94 CO 0.16 0.36 -0.00 -1.21 -2.12 0.00 0.00 175.29 172.48 1qy3 s GLU 95 N -0.06 0.59 0.01 2.91 2.02 -0.41 -0.76 118.70 123.01 1qy3 s GLU 95 Ca -0.03 0.08 0.01 0.00 0.02 0.00 0.00 54.97 55.04 1qy3 s GLU 95 Cb -0.14 -0.88 -0.01 0.00 0.10 0.00 0.00 34.13 33.20 1qy3 s GLU 95 CO 0.04 -0.25 -0.04 0.00 0.02 0.00 0.00 175.26 175.03 1qy3 s ALA 96 N 1.69 0.30 -0.19 5.21 0.00 -0.83 -0.18 121.76 127.75 1qy3 s ALA 96 Ca 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1qy3 s ALA 96 Cb -0.13 0.00 0.03 0.00 0.00 0.00 0.00 23.12 23.02 1qy3 s ALA 96 CO -0.04 0.00 -0.16 0.99 0.00 0.00 0.00 175.76 176.55 1qy3 s THR 97 N -0.62 1.93 -0.35 0.00 2.01 -0.74 -0.52 115.64 117.35 1qy3 s THR 97 Ca -0.05 -0.99 -0.05 0.00 0.31 0.00 0.00 61.69 60.91 1qy3 s THR 97 Cb -0.05 -1.83 0.06 0.00 0.01 0.00 0.00 72.50 70.69 1qy3 s THR 97 CO -0.00 0.40 0.12 -0.63 -0.69 0.00 0.00 174.62 173.81 1qy3 s ILE 98 N 1.31 3.56 -0.35 1.82 1.01 0.65 -2.05 121.20 127.15 1qy3 s ILE 98 Ca 0.02 -1.41 -0.13 0.00 0.00 0.00 0.00 60.65 59.14 1qy3 s ILE 98 Cb -0.14 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 1qy3 s ILE 98 CO -0.11 -0.30 0.24 -0.44 0.00 0.00 0.00 174.94 174.33 1qy3 s SER 99 N 1.55 5.99 -0.19 3.58 0.01 -0.05 -0.74 113.70 123.86 1qy3 s SER 99 Ca -0.00 -0.58 -0.24 0.00 1.31 0.00 0.00 55.95 56.44 1qy3 s SER 99 Cb -0.21 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 1qy3 s SER 99 CO 0.00 -0.29 0.76 -0.36 0.41 0.00 0.00 173.24 173.76 1qy3 s PHE 100 N 1.69 3.39 0.17 2.43 0.40 -0.61 -1.21 117.98 124.24 1qy3 s PHE 100 Ca 0.05 1.12 -0.32 0.00 -0.60 0.00 0.00 56.93 57.18 1qy3 s PHE 100 Cb -0.18 -2.94 -0.12 0.00 0.51 0.00 0.00 43.02 40.29 1qy3 s PHE 100 CO 0.10 -0.23 1.73 1.17 0.70 0.00 0.00 175.22 178.68 1qy3 n LYS 101 N 5.24 2.64 -1.86 0.44 4.81 -0.51 -1.90 118.16 127.03 1qy3 n LYS 101 Ca 0.02 0.95 -0.18 0.00 -0.87 0.00 0.00 58.31 58.24 1qy3 n LYS 101 Cb 0.49 -2.80 -0.05 0.00 0.02 0.00 0.00 35.03 32.69 1qy3 n LYS 101 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1qy3 n ASP 102 N 4.35 -5.23 -0.13 3.14 8.00 -1.26 -4.80 116.55 120.62 1qy3 n ASP 102 Ca 0.17 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1qy3 n ASP 102 Cb 0.34 -4.32 0.00 0.00 -0.02 0.00 0.00 41.12 37.12 1qy3 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1qy3 n ASP 103 N -1.15 0.00 -2.38 -2.24 -0.08 -0.80 -4.95 116.55 104.95 1qy3 n ASP 103 Ca -0.20 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 52.95 1qy3 n ASP 103 Cb 0.62 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.08 1qy3 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1qy3 n GLY 104 N 0.00 -1.00 3.06 0.27 0.00 -1.17 -4.62 105.19 101.73 1qy3 n GLY 104 Ca 0.00 -1.65 -0.11 0.00 0.00 0.00 0.00 46.02 44.25 1qy3 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qy3 s ASN 105 N -1.00 0.74 -0.13 1.61 2.20 -0.82 -1.57 114.94 115.96 1qy3 s ASN 105 Ca 0.00 -0.64 -0.02 0.00 -0.94 0.00 0.00 52.86 51.26 1qy3 s ASN 105 Cb 0.00 0.07 -0.03 0.00 -2.00 0.00 0.00 41.25 39.30 1qy3 s ASN 105 CO 0.00 -0.29 -0.06 -0.31 -2.94 0.00 0.00 177.10 173.49 1qy3 s TYR 106 N -1.92 2.96 -0.17 1.54 2.02 0.08 -1.63 117.35 120.23 1qy3 s TYR 106 Ca -0.07 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.36 1qy3 s TYR 106 Cb -0.06 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1qy3 s TYR 106 CO -0.01 0.02 -0.20 0.15 -1.57 0.00 0.00 175.55 173.94 1qy3 s LYS 107 N 0.07 2.92 0.07 -0.62 1.02 0.51 -0.25 119.74 123.46 1qy3 s LYS 107 Ca -0.02 -0.81 0.09 0.00 0.02 0.00 0.00 55.97 55.26 1qy3 s LYS 107 Cb -0.14 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.65 1qy3 s LYS 107 CO 0.03 -0.17 -0.25 0.95 -0.92 0.00 0.00 175.35 175.00 1qy3 s THR 108 N 1.20 2.31 -0.07 2.17 -4.23 0.32 -1.04 115.64 116.30 1qy3 s THR 108 Ca 0.02 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1qy3 s THR 108 Cb -0.14 -1.95 0.02 0.00 1.34 0.00 0.00 72.50 71.77 1qy3 s THR 108 CO -0.10 0.28 -0.06 -0.60 -0.54 0.00 0.00 174.62 173.60 1qy3 s ARG 109 N -1.52 1.15 0.13 3.99 3.52 -0.60 -1.97 118.95 123.64 1qy3 s ARG 109 Ca 0.13 -0.17 -0.03 0.00 -0.13 0.00 0.00 55.73 55.54 1qy3 s ARG 109 Cb -0.10 -1.17 -0.03 0.00 -1.56 0.00 0.00 34.95 32.08 1qy3 s ARG 109 CO 0.04 -0.15 0.09 0.00 -0.81 0.00 0.00 175.30 174.48 1qy3 s ALA 110 N 1.26 0.64 -0.03 6.12 0.00 0.06 -1.04 121.76 128.77 1qy3 s ALA 110 Ca -0.05 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.59 1qy3 s ALA 110 Cb -0.14 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.81 1qy3 s ALA 110 CO -0.02 -0.51 0.03 -1.21 0.00 0.00 0.00 175.76 174.05 1qy3 s GLU 111 N -4.02 0.05 -0.10 0.00 2.02 -0.66 0.17 118.70 116.16 1qy3 s GLU 111 Ca 0.21 0.22 0.03 0.00 0.02 0.00 0.00 54.97 55.44 1qy3 s GLU 111 Cb 0.07 -0.41 0.01 0.00 0.10 0.00 0.00 34.13 33.90 1qy3 s GLU 111 CO -0.00 -0.22 -0.19 0.54 0.02 0.00 0.00 175.26 175.42 1qy3 s VAL 112 N 1.42 1.72 0.32 2.63 0.11 -0.85 -1.40 120.40 124.34 1qy3 s VAL 112 Ca -0.04 -0.80 -0.18 0.00 -2.93 0.00 0.00 61.98 58.02 1qy3 s VAL 112 Cb -0.13 -1.52 0.03 0.00 -1.53 0.00 0.00 36.38 33.23 1qy3 s VAL 112 CO -0.03 0.48 0.73 -1.59 -3.33 0.00 0.00 175.10 171.36 1qy3 s LYS 113 N 0.67 1.93 -0.01 1.54 -2.85 -0.67 -1.54 119.74 118.81 1qy3 s LYS 113 Ca -0.13 -1.17 -0.18 0.00 -1.00 0.00 0.00 55.97 53.49 1qy3 s LYS 113 Cb -0.16 0.61 -0.05 0.00 -2.06 0.00 0.00 37.83 36.16 1qy3 s LYS 113 CO 0.03 -0.89 0.52 -0.06 0.10 0.00 0.00 175.35 175.05 1qy3 s PHE 114 N -3.36 3.68 -0.53 1.78 0.08 -0.79 -0.84 117.98 118.01 1qy3 s PHE 114 Ca 0.13 1.10 0.04 0.00 0.12 0.00 0.00 56.93 58.32 1qy3 s PHE 114 Cb -0.05 -2.50 0.14 0.00 -0.57 0.00 0.00 43.02 40.03 1qy3 s PHE 114 CO 0.09 0.43 0.28 -1.21 -0.10 0.00 0.00 175.22 174.71 1qy3 s GLU 115 N -0.39 1.90 6.31 0.44 0.41 0.32 -4.92 118.70 122.76 1qy3 s GLU 115 Ca 0.28 -2.59 0.00 0.00 -0.41 0.00 0.00 54.97 52.24 1qy3 s GLU 115 Cb -0.17 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.04 1qy3 s GLU 115 CO 0.15 -1.14 0.00 0.41 -0.49 0.00 0.00 175.26 174.19 1qy3 n GLY 116 N 3.05 0.88 1.51 -1.39 0.00 -1.26 -2.70 105.19 105.28 1qy3 n GLY 116 Ca 0.08 -0.66 0.08 0.00 0.00 0.00 0.00 46.02 45.52 1qy3 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qy3 n ASP 117 N 7.26 4.84 -4.42 1.61 8.00 -1.26 -4.92 116.55 127.65 1qy3 n ASP 117 Ca 0.00 -2.68 -0.33 0.00 0.71 0.00 0.00 54.79 52.49 1qy3 n ASP 117 Cb 0.00 -0.59 -0.13 0.00 -0.02 0.00 0.00 41.12 40.38 1qy3 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qy3 s THR 118 N -2.26 3.36 -0.31 -3.53 2.01 -1.10 -4.42 115.64 109.39 1qy3 s THR 118 Ca 0.49 -0.56 -0.25 0.00 0.31 0.00 0.00 61.69 61.68 1qy3 s THR 118 Cb 0.35 -2.43 0.01 0.00 0.01 0.00 0.00 72.50 70.44 1qy3 s THR 118 CO 0.19 0.52 0.88 -0.22 -0.69 0.00 0.00 174.62 175.30 1qy3 s LEU 119 N 0.27 4.04 -0.05 4.42 1.98 -0.69 -0.52 118.68 128.14 1qy3 s LEU 119 Ca -0.07 0.79 0.03 0.00 -2.89 0.00 0.00 54.13 51.99 1qy3 s LEU 119 Cb -0.15 -3.23 -0.03 0.00 0.66 0.00 0.00 46.19 43.44 1qy3 s LEU 119 CO 0.04 -0.70 -0.13 -0.69 -1.89 0.00 0.00 176.35 172.99 1qy3 s VAL 120 N 3.18 3.21 -0.24 1.68 1.01 -0.02 -1.33 120.40 127.89 1qy3 s VAL 120 Ca 0.37 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1qy3 s VAL 120 Cb -0.14 -2.27 0.07 0.00 0.00 0.00 0.00 36.38 34.04 1qy3 s VAL 120 CO 0.13 0.58 0.02 0.21 0.00 0.00 0.00 175.10 176.05 1qy3 s ASN 121 N -0.78 3.56 -0.27 3.32 2.47 -0.24 -1.66 114.94 121.33 1qy3 s ASN 121 Ca 0.12 -1.19 -0.11 0.00 0.42 0.00 0.00 52.86 52.10 1qy3 s ASN 121 Cb -0.11 -0.88 -0.05 0.00 -1.45 0.00 0.00 41.25 38.76 1qy3 s ASN 121 CO 0.01 -0.32 0.17 -0.13 -3.72 0.00 0.00 177.10 173.12 1qy3 s ARG 122 N 1.62 3.93 0.05 0.43 0.52 -0.49 -1.25 118.95 123.75 1qy3 s ARG 122 Ca 0.01 -0.33 0.08 0.00 -0.52 0.00 0.00 55.73 54.97 1qy3 s ARG 122 Cb -0.18 -3.61 -0.03 0.00 0.52 0.00 0.00 34.95 31.66 1qy3 s ARG 122 CO -0.12 -0.16 -0.23 0.42 0.02 0.00 0.00 175.30 175.23 1qy3 s ILE 123 N 1.68 1.87 -0.15 1.52 1.01 0.72 -1.66 121.20 126.19 1qy3 s ILE 123 Ca 0.07 -1.33 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1qy3 s ILE 123 Cb -0.16 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.72 1qy3 s ILE 123 CO 0.10 0.23 -0.13 -1.61 0.00 0.00 0.00 174.94 173.53 1qy3 s GLU 124 N -1.31 2.15 -0.08 2.79 2.02 -0.21 -1.43 118.70 122.63 1qy3 s GLU 124 Ca 0.09 -0.56 0.02 0.00 0.02 0.00 0.00 54.97 54.54 1qy3 s GLU 124 Cb -0.09 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 32.03 1qy3 s GLU 124 CO 0.02 -0.27 -0.14 -1.17 0.02 0.00 0.00 175.26 173.72 1qy3 s LEU 125 N 1.50 2.75 -0.17 1.80 0.20 0.13 -1.56 118.68 123.33 1qy3 s LEU 125 Ca 0.04 -0.23 -0.01 0.00 0.69 0.00 0.00 54.13 54.62 1qy3 s LEU 125 Cb -0.13 -1.58 0.05 0.00 -0.43 0.00 0.00 46.19 44.09 1qy3 s LEU 125 CO -0.10 0.28 -0.03 -0.75 -0.29 0.00 0.00 176.35 175.46 1qy3 s LYS 126 N -0.34 1.23 -0.15 1.98 2.47 -0.20 -1.64 119.74 123.09 1qy3 s LYS 126 Ca 0.03 -0.50 -0.02 0.00 -1.56 0.00 0.00 55.97 53.92 1qy3 s LYS 126 Cb -0.13 -2.01 -0.02 0.00 -1.46 0.00 0.00 37.83 34.21 1qy3 s LYS 126 CO 0.02 -0.48 -0.08 0.20 0.16 0.00 0.00 175.35 175.17 1qy3 s GLY 127 N 1.68 1.62 0.17 5.54 0.00 0.18 -0.36 107.32 116.15 1qy3 s GLY 127 Ca -0.00 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 43.86 1qy3 s GLY 127 CO -0.07 -0.08 -0.03 -0.26 0.00 0.00 0.00 173.10 172.66 1qy3 s ILE 128 N 0.46 0.88 -1.47 0.90 -4.36 -0.65 -1.45 121.20 115.52 1qy3 s ILE 128 Ca -0.06 -2.01 -0.05 0.00 -0.26 0.00 0.00 60.65 58.27 1qy3 s ILE 128 Cb -0.15 -2.05 0.02 0.00 1.25 0.00 0.00 42.46 41.54 1qy3 s ILE 128 CO 0.04 -0.56 0.45 0.47 0.24 0.00 0.00 174.94 175.58 1qy3 n ASP 129 N -0.24 -5.28 -4.79 4.36 8.00 -1.26 -1.95 116.55 115.39 1qy3 n ASP 129 Ca -0.08 -0.23 -0.39 0.00 0.71 0.00 0.00 54.79 54.80 1qy3 n ASP 129 Cb 0.62 -4.32 -0.06 0.00 -0.02 0.00 0.00 41.12 37.35 1qy3 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qy3 s PHE 130 N -3.05 3.85 0.13 1.24 0.40 -1.26 -3.02 117.98 116.28 1qy3 s PHE 130 Ca 0.26 1.52 -0.30 0.00 -0.60 0.00 0.00 56.93 57.81 1qy3 s PHE 130 Cb -0.13 -2.68 -0.06 0.00 0.51 0.00 0.00 43.02 40.66 1qy3 s PHE 130 CO 0.33 0.51 0.97 0.15 0.70 0.00 0.00 175.22 177.88 1qy3 s LYS 131 N -1.24 4.71 0.25 0.44 1.02 -1.26 -4.93 119.74 118.73 1qy3 s LYS 131 Ca 0.35 1.47 -0.04 0.00 0.02 0.00 0.00 55.97 57.78 1qy3 s LYS 131 Cb -0.21 -3.36 0.40 0.00 -0.52 0.00 0.00 37.83 34.14 1qy3 s LYS 131 CO 0.24 0.23 1.83 0.93 -0.92 0.00 0.00 175.35 177.66 1qy3 h GLU 132 N 5.41 0.88 -0.63 1.68 4.39 -1.96 -2.36 114.58 121.99 1qy3 h GLU 132 Ca -0.43 -0.05 -0.38 0.00 0.34 0.00 0.00 59.36 58.84 1qy3 h GLU 132 Cb 1.21 -0.20 -0.22 0.00 -0.10 0.00 0.00 28.75 29.44 1qy3 h GLU 132 CO 0.71 0.59 0.08 -3.47 -1.16 0.00 0.00 179.01 175.76 1qy3 n ASP 133 N -4.66 3.92 -3.72 1.42 2.03 -1.26 -3.79 116.55 110.49 1qy3 n ASP 133 Ca 0.14 -3.76 -0.23 0.00 0.52 0.00 0.00 54.79 51.46 1qy3 n ASP 133 Cb 0.25 -0.68 0.15 0.00 -0.72 0.00 0.00 41.12 40.12 1qy3 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qy3 n GLY 134 N -1.03 -0.83 0.23 0.27 0.00 -0.89 -4.78 105.19 98.15 1qy3 n GLY 134 Ca 0.44 -1.79 0.09 0.00 0.00 0.00 0.00 46.02 44.76 1qy3 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qy3 h ASN 135 N -1.17 0.00 0.00 1.61 2.35 -1.94 -1.53 115.58 114.90 1qy3 h ASN 135 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1qy3 h ASN 135 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 1qy3 h ASN 135 CO 0.26 0.23 -0.13 0.40 -1.65 0.00 0.00 177.43 176.55 1qy3 h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.93 -2.24 117.51 121.18 1qy3 h ILE 136 Ca -0.00 -0.38 -0.01 0.00 -0.12 0.00 0.00 64.86 64.34 1qy3 h ILE 136 Cb 0.59 0.00 -0.00 0.00 -3.03 0.00 0.00 36.82 34.38 1qy3 h ILE 136 CO 0.03 0.00 -0.06 -0.07 -0.68 0.00 0.00 178.15 177.37 1qy3 h LEU 137 N -0.38 0.00 -0.82 1.44 3.38 -1.76 -2.39 115.31 114.77 1qy3 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1qy3 h LEU 137 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1qy3 h LEU 137 CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1qy3 n GLY 138 N -0.24 -0.14 3.77 0.83 0.00 -0.57 -4.92 105.19 103.92 1qy3 n GLY 138 Ca -0.00 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 1qy3 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qy3 n HIS 139 N 0.00 -1.84 0.04 1.61 8.25 -0.90 -4.92 115.22 117.47 1qy3 n HIS 139 Ca 0.20 0.74 0.11 0.00 -0.26 0.00 0.00 57.72 58.51 1qy3 n HIS 139 Cb 0.32 -4.01 0.28 0.00 1.12 0.00 0.00 29.99 27.70 1qy3 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qy3 n LYS 140 N -4.27 2.53 -3.69 -0.41 5.02 -0.84 -4.96 118.16 111.55 1qy3 n LYS 140 Ca -0.26 -2.36 -0.37 0.00 -2.02 0.00 0.00 58.31 53.30 1qy3 n LYS 140 Cb 0.67 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 1qy3 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qy3 s LEU 141 N -1.20 4.37 0.60 -0.35 1.43 -1.25 -0.75 118.68 121.53 1qy3 s LEU 141 Ca 0.43 0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 53.95 1qy3 s LEU 141 Cb 0.23 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1qy3 s LEU 141 CO 0.31 0.30 1.17 -1.61 0.23 0.00 0.00 176.35 176.76 1qy3 s GLU 142 N -0.62 3.01 -1.31 1.70 2.02 0.16 -4.86 118.70 118.80 1qy3 s GLU 142 Ca 0.17 1.70 -0.11 0.00 0.02 0.00 0.00 54.97 56.75 1qy3 s GLU 142 Cb -0.13 -1.95 0.14 0.00 0.10 0.00 0.00 34.13 32.28 1qy3 s GLU 142 CO 0.06 -1.14 1.89 0.98 0.02 0.00 0.00 175.26 177.07 1qy3 n TYR 143 N -1.68 3.37 -3.94 1.61 9.36 -1.26 -4.81 117.16 119.80 1qy3 n TYR 143 Ca 0.13 -2.90 -0.10 0.00 3.32 0.00 0.00 57.90 58.35 1qy3 n TYR 143 Cb 0.50 -2.13 -0.02 0.00 -0.63 0.00 0.00 39.34 37.06 1qy3 n TYR 143 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1qy3 s ASN 144 N 1.72 0.12 -0.16 2.98 2.20 -1.26 -4.88 114.94 115.67 1qy3 s ASN 144 Ca 0.42 -1.05 -0.05 0.00 -0.94 0.00 0.00 52.86 51.24 1qy3 s ASN 144 Cb 0.09 0.70 0.08 0.00 -2.00 0.00 0.00 41.25 40.11 1qy3 s ASN 144 CO -0.01 -1.36 0.31 -0.47 -2.94 0.00 0.00 177.10 172.63 1qy3 s TYR 145 N -3.35 -0.55 0.47 1.54 5.04 -1.26 -4.83 117.35 114.41 1qy3 s TYR 145 Ca 0.20 1.10 -0.21 0.00 -2.44 0.00 0.00 57.07 55.73 1qy3 s TYR 145 Cb -0.03 0.06 -0.09 0.00 0.35 0.00 0.00 41.96 42.25 1qy3 s TYR 145 CO 0.12 -0.42 1.03 -0.80 -1.34 0.00 0.00 175.55 174.14 1qy3 s ASN 146 N 2.48 6.43 0.36 4.32 0.01 -1.26 -4.47 114.94 122.80 1qy3 s ASN 146 Ca 0.01 1.93 -0.27 0.00 -0.71 0.00 0.00 52.86 53.82 1qy3 s ASN 146 Cb -0.12 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 38.88 1qy3 s ASN 146 CO -0.10 -0.72 1.17 -0.44 -1.51 0.00 0.00 177.10 175.50 1qy3 s SER 147 N -1.94 6.75 0.29 -1.22 0.01 -1.26 -4.76 113.70 111.57 1qy3 s SER 147 Ca 0.66 2.38 -0.15 0.00 1.31 0.00 0.00 55.95 60.15 1qy3 s SER 147 Cb -0.17 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.46 1qy3 s SER 147 CO 0.20 -0.52 0.62 -1.38 0.41 0.00 0.00 173.24 172.58 1qy3 s HIS 148 N -1.31 0.19 0.06 2.43 -3.43 -0.85 -5.02 115.29 107.35 1qy3 s HIS 148 Ca 0.53 -0.63 0.06 0.00 -0.80 0.00 0.00 55.06 54.21 1qy3 s HIS 148 Cb -0.32 0.47 -0.04 0.00 -1.43 0.00 0.00 32.58 31.26 1qy3 s HIS 148 CO 0.41 -1.20 -0.12 -0.80 -2.00 0.00 0.00 174.74 171.03 1qy3 s ASN 149 N -3.01 4.25 -0.35 7.38 0.02 -1.26 -0.81 114.94 121.16 1qy3 s ASN 149 Ca 0.18 -0.34 -0.01 0.00 -1.02 0.00 0.00 52.86 51.67 1qy3 s ASN 149 Cb -0.03 -0.82 0.08 0.00 0.02 0.00 0.00 41.25 40.50 1qy3 s ASN 149 CO 0.10 0.23 0.10 -0.69 0.02 0.00 0.00 177.10 176.86 1qy3 s VAL 150 N -1.06 3.01 -0.34 1.60 1.01 -0.20 -4.69 120.40 119.73 1qy3 s VAL 150 Ca 0.18 -1.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.05 1qy3 s VAL 150 Cb -0.11 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.34 1qy3 s VAL 150 CO 0.09 -0.43 1.08 -0.31 0.00 0.00 0.00 175.10 175.53 1qy3 s TYR 151 N 1.15 3.10 -0.14 5.22 2.02 -0.91 -1.37 117.35 126.42 1qy3 s TYR 151 Ca 0.03 1.13 -0.07 0.00 -0.37 0.00 0.00 57.07 57.79 1qy3 s TYR 151 Cb -0.21 -3.79 -0.04 0.00 -0.40 0.00 0.00 41.96 37.51 1qy3 s TYR 151 CO -0.03 -0.84 0.11 0.42 -1.57 0.00 0.00 175.55 173.64 1qy3 s ILE 152 N 3.76 5.23 0.03 2.71 1.01 0.18 -1.05 121.20 133.08 1qy3 s ILE 152 Ca 0.46 0.11 0.03 0.00 0.00 0.00 0.00 60.65 61.24 1qy3 s ILE 152 Cb -0.11 -3.31 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 1qy3 s ILE 152 CO 0.18 0.55 -0.08 0.42 0.00 0.00 0.00 174.94 176.01 1qy3 s THR 153 N -0.50 0.60 0.34 2.92 -4.23 -0.55 -2.70 115.64 111.53 1qy3 s THR 153 Ca 0.11 -0.91 -0.12 0.00 -1.18 0.00 0.00 61.69 59.59 1qy3 s THR 153 Cb -0.12 -0.62 -0.08 0.00 1.34 0.00 0.00 72.50 73.03 1qy3 s THR 153 CO 0.02 -0.23 0.71 0.00 -0.54 0.00 0.00 174.62 174.58 1qy3 s ALA 154 N -1.06 3.38 -0.43 3.99 0.00 -1.26 -0.38 121.76 126.00 1qy3 s ALA 154 Ca -0.06 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.80 1qy3 s ALA 154 Cb -0.08 -2.68 0.14 0.00 0.00 0.00 0.00 23.12 20.51 1qy3 s ALA 154 CO 0.00 0.23 0.26 0.34 0.00 0.00 0.00 175.76 176.59 1qy3 s ASP 155 N -2.65 3.20 0.49 0.00 2.15 -0.09 -4.81 116.67 114.95 1qy3 s ASP 155 Ca 0.52 -2.63 0.20 0.00 0.43 0.00 0.00 52.55 51.07 1qy3 s ASP 155 Cb -0.10 -0.79 1.23 0.00 -0.30 0.00 0.00 42.92 42.96 1qy3 s ASP 155 CO 0.24 -0.25 2.04 0.11 -0.17 0.00 0.00 175.17 177.13 1qy3 h LYS 156 N 6.58 0.00 -0.10 4.34 1.57 -1.95 -1.31 116.57 125.70 1qy3 h LYS 156 Ca 0.06 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.73 1qy3 h LYS 156 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1qy3 h LYS 156 CO 0.41 0.15 -0.43 1.96 -0.57 0.00 0.00 179.45 180.98 1qy3 h GLN 157 N 0.00 0.22 -0.13 3.15 4.20 -1.94 -2.77 115.11 117.85 1qy3 h GLN 157 Ca -0.00 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1qy3 h GLN 157 Cb 0.31 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1qy3 h GLN 157 CO 0.02 0.61 0.00 1.63 -0.67 0.00 0.00 178.83 180.42 1qy3 n LYS 158 N -4.01 2.23 -2.07 1.46 4.76 -1.07 -4.96 118.16 114.49 1qy3 n LYS 158 Ca -0.02 -1.96 -0.18 0.00 -2.87 0.00 0.00 58.31 53.28 1qy3 n LYS 158 Cb 0.49 -1.45 -0.04 0.00 -1.84 0.00 0.00 35.03 32.19 1qy3 n LYS 158 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1qy3 n ASN 159 N 1.32 -5.11 0.00 4.39 2.85 -0.70 -4.75 115.26 113.25 1qy3 n ASN 159 Ca 0.15 0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.82 1qy3 n ASN 159 Cb 0.57 -4.38 0.00 0.00 1.24 0.00 0.00 39.78 37.21 1qy3 n ASN 159 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1qy3 n GLY 160 N -0.71 5.49 3.33 8.20 0.00 -0.58 -4.54 105.19 116.38 1qy3 n GLY 160 Ca -0.20 -1.38 -0.17 0.00 0.00 0.00 0.00 46.02 44.27 1qy3 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1qy3 s ILE 161 N 0.30 0.60 0.09 -0.61 -4.36 -0.78 -0.91 121.20 115.54 1qy3 s ILE 161 Ca 0.00 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 1qy3 s ILE 161 Cb 0.00 -2.65 -0.03 0.00 1.25 0.00 0.00 42.46 41.03 1qy3 s ILE 161 CO 0.00 0.00 -0.14 -0.54 0.24 0.00 0.00 174.94 174.50 1qy3 s LYS 162 N -4.02 0.91 -0.02 0.37 1.02 0.49 -1.20 119.74 117.29 1qy3 s LYS 162 Ca 0.38 -1.10 0.01 0.00 0.02 0.00 0.00 55.97 55.28 1qy3 s LYS 162 Cb 0.08 -0.85 0.02 0.00 -0.52 0.00 0.00 37.83 36.56 1qy3 s LYS 162 CO 0.14 0.17 -0.01 0.00 -0.92 0.00 0.00 175.35 174.73 1qy3 s ALA 163 N -1.73 0.30 -0.04 5.17 0.00 0.25 -1.48 121.76 124.22 1qy3 s ALA 163 Ca 0.03 0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.06 1qy3 s ALA 163 Cb -0.07 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1qy3 s ALA 163 CO 0.02 -0.02 -0.06 -0.80 0.00 0.00 0.00 175.76 174.90 1qy3 s ASN 164 N 0.61 1.06 0.08 0.00 -0.87 -0.21 -0.52 114.94 115.09 1qy3 s ASN 164 Ca -0.06 -0.16 -0.26 0.00 -1.57 0.00 0.00 52.86 50.81 1qy3 s ASN 164 Cb -0.09 -0.49 0.08 0.00 -0.02 0.00 0.00 41.25 40.73 1qy3 s ASN 164 CO -0.01 -0.03 0.77 0.72 -2.57 0.00 0.00 177.10 175.98 1qy3 s PHE 165 N 0.78 -0.41 -0.11 2.20 -0.12 -1.10 -2.14 117.98 117.07 1qy3 s PHE 165 Ca -0.11 0.23 0.01 0.00 -0.05 0.00 0.00 56.93 57.00 1qy3 s PHE 165 Cb -0.14 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.79 1qy3 s PHE 165 CO 0.01 -0.71 -0.14 0.15 -0.05 0.00 0.00 175.22 174.48 1qy3 s LYS 166 N -3.41 3.21 -0.12 1.99 1.02 -1.26 -0.67 119.74 120.49 1qy3 s LYS 166 Ca 0.04 -0.70 -0.02 0.00 0.02 0.00 0.00 55.97 55.31 1qy3 s LYS 166 Cb -0.01 -2.57 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 1qy3 s LYS 166 CO -0.10 0.28 -0.07 0.42 -0.92 0.00 0.00 175.35 174.97 1qy3 s ILE 167 N 0.16 3.65 -0.38 2.17 -1.09 -0.14 -4.90 121.20 120.67 1qy3 s ILE 167 Ca -0.07 -0.46 -0.01 0.00 -2.23 0.00 0.00 60.65 57.88 1qy3 s ILE 167 Cb -0.15 -2.56 0.10 0.00 -1.58 0.00 0.00 42.46 38.28 1qy3 s ILE 167 CO 0.05 0.53 0.15 0.00 -1.23 0.00 0.00 174.94 174.44 1qy3 s ARG 168 N 0.03 1.88 0.19 2.79 1.70 -1.26 -0.09 118.95 124.18 1qy3 s ARG 168 Ca -0.01 -1.81 -0.30 0.00 -0.47 0.00 0.00 55.73 53.14 1qy3 s ARG 168 Cb -0.14 -3.46 -0.08 0.00 -0.57 0.00 0.00 34.95 30.70 1qy3 s ARG 168 CO 0.03 -1.01 0.95 -1.01 -1.08 0.00 0.00 175.30 173.18 1qy3 s HIS 169 N 1.08 3.91 -0.22 5.89 3.76 -0.33 -4.67 115.29 124.71 1qy3 s HIS 169 Ca 0.08 1.87 -0.24 0.00 -0.15 0.00 0.00 55.06 56.62 1qy3 s HIS 169 Cb -0.22 -3.02 -0.01 0.00 1.11 0.00 0.00 32.58 30.45 1qy3 s HIS 169 CO -0.05 0.34 0.80 -0.80 -0.85 0.00 0.00 174.74 174.17 1qy3 s ASN 170 N -0.68 6.84 0.38 1.40 0.01 -1.26 -0.62 114.94 121.00 1qy3 s ASN 170 Ca 0.44 1.03 -0.14 0.00 -0.71 0.00 0.00 52.86 53.48 1qy3 s ASN 170 Cb -0.25 -2.43 -0.08 0.00 0.41 0.00 0.00 41.25 38.90 1qy3 s ASN 170 CO 0.31 -0.45 0.79 -0.63 -1.51 0.00 0.00 177.10 175.62 1qy3 s ILE 171 N 2.53 4.68 0.66 0.60 1.01 -0.45 -0.67 121.20 129.56 1qy3 s ILE 171 Ca 0.35 0.89 0.41 0.00 0.00 0.00 0.00 60.65 62.30 1qy3 s ILE 171 Cb -0.16 -3.67 0.41 0.00 0.01 0.00 0.00 42.46 39.06 1qy3 s ILE 171 CO 0.09 -0.38 2.28 1.05 0.00 0.00 0.00 174.94 177.98 1qy3 h GLU 172 N 1.69 0.00 -0.25 2.79 4.11 -1.25 -1.81 114.58 119.86 1qy3 h GLU 172 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1qy3 h GLU 172 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1qy3 h GLU 172 CO 0.64 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.32 1qy3 n ASP 173 N -3.13 2.08 0.00 3.06 5.75 -1.26 -4.91 116.55 118.14 1qy3 n ASP 173 Ca -0.03 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1qy3 n ASP 173 Cb 0.13 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 1qy3 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qy3 n GLY 174 N 1.20 0.56 1.76 6.12 0.00 -0.68 -5.07 105.19 109.07 1qy3 n GLY 174 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1qy3 n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qy3 n SER 175 N 0.00 0.17 -4.15 1.61 2.88 -1.25 -4.83 113.62 108.05 1qy3 n SER 175 Ca 0.00 -1.29 -0.26 0.00 -1.33 0.00 0.00 58.87 56.00 1qy3 n SER 175 Cb 0.00 -0.42 -0.16 0.00 -0.75 0.00 0.00 64.21 62.88 1qy3 n SER 175 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1qy3 s VAL 176 N -2.09 1.42 -0.35 2.46 1.01 -1.26 -1.34 120.40 120.26 1qy3 s VAL 176 Ca 0.33 -0.74 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 1qy3 s VAL 176 Cb -0.01 -1.20 0.07 0.00 0.00 0.00 0.00 36.38 35.24 1qy3 s VAL 176 CO 0.23 0.41 0.09 -1.58 0.00 0.00 0.00 175.10 174.25 1qy3 s GLN 177 N -0.16 2.30 0.29 2.72 2.00 0.21 -4.91 119.66 122.10 1qy3 s GLN 177 Ca 0.01 -1.46 -0.29 0.00 -2.00 0.00 0.00 55.36 51.62 1qy3 s GLN 177 Cb -0.09 -3.37 -0.10 0.00 0.80 0.00 0.00 33.01 30.25 1qy3 s GLN 177 CO 0.01 -0.79 1.11 -1.17 -0.50 0.00 0.00 175.29 173.95 1qy3 s LEU 178 N 1.23 4.51 -0.29 3.68 2.96 -1.26 -1.19 118.68 128.32 1qy3 s LEU 178 Ca 0.00 2.28 -0.04 0.00 -0.22 0.00 0.00 54.13 56.16 1qy3 s LEU 178 Cb -0.21 -3.68 0.10 0.00 0.50 0.00 0.00 46.19 42.90 1qy3 s LEU 178 CO -0.02 -0.21 0.13 0.00 -1.32 0.00 0.00 176.35 174.93 1qy3 s ALA 179 N -1.20 0.73 0.11 5.97 0.00 0.87 -1.42 121.76 126.82 1qy3 s ALA 179 Ca 0.46 -1.16 -0.30 0.00 0.00 0.00 0.00 51.96 50.96 1qy3 s ALA 179 Cb -0.32 -1.42 -0.06 0.00 0.00 0.00 0.00 23.12 21.32 1qy3 s ALA 179 CO 0.41 -1.65 0.99 -0.51 0.00 0.00 0.00 175.76 174.99 1qy3 s ASP 180 N 2.04 7.45 -0.04 0.00 1.01 -0.35 -0.96 116.67 125.82 1qy3 s ASP 180 Ca 0.09 1.83 0.06 0.00 0.71 0.00 0.00 52.55 55.24 1qy3 s ASP 180 Cb -0.16 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.16 1qy3 s ASP 180 CO -0.35 -0.11 -0.20 -1.00 0.21 0.00 0.00 175.17 173.72 1qy3 s HIS 181 N 0.06 2.54 -0.24 4.23 3.76 0.15 -0.87 115.29 124.92 1qy3 s HIS 181 Ca 0.48 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 55.06 1qy3 s HIS 181 Cb -0.24 -1.57 0.08 0.00 1.11 0.00 0.00 32.58 31.95 1qy3 s HIS 181 CO 0.30 0.08 0.09 -0.47 -0.85 0.00 0.00 174.74 173.89 1qy3 s TYR 182 N -0.65 0.74 -0.03 1.40 5.04 -0.87 -2.70 117.35 120.28 1qy3 s TYR 182 Ca 0.10 -0.88 0.00 0.00 -2.44 0.00 0.00 57.07 53.85 1qy3 s TYR 182 Cb -0.10 -1.03 -0.04 0.00 0.35 0.00 0.00 41.96 41.14 1qy3 s TYR 182 CO -0.00 -0.69 0.01 -0.65 -1.34 0.00 0.00 175.55 172.87 1qy3 s GLN 183 N 1.95 2.86 -0.05 4.97 -0.21 0.32 -1.79 119.66 127.71 1qy3 s GLN 183 Ca 0.04 -0.54 0.00 0.00 0.02 0.00 0.00 55.36 54.88 1qy3 s GLN 183 Cb -0.17 -2.71 0.02 0.00 1.00 0.00 0.00 33.01 31.15 1qy3 s GLN 183 CO -0.19 0.65 -0.03 -0.65 -2.12 0.00 0.00 175.29 172.95 1qy3 s GLN 184 N -1.37 0.75 -0.10 2.91 -0.21 0.74 -0.58 119.66 121.80 1qy3 s GLN 184 Ca 0.18 -0.04 0.04 0.00 0.02 0.00 0.00 55.36 55.56 1qy3 s GLN 184 Cb -0.11 -0.87 0.00 0.00 1.00 0.00 0.00 33.01 33.02 1qy3 s GLN 184 CO 0.08 -0.15 -0.23 -0.80 -2.12 0.00 0.00 175.29 172.06 1qy3 s ASN 185 N 1.24 3.06 -0.07 5.90 0.01 -0.34 -1.29 114.94 123.45 1qy3 s ASN 185 Ca -0.06 -0.56 0.01 0.00 -0.71 0.00 0.00 52.86 51.54 1qy3 s ASN 185 Cb -0.14 -1.40 0.02 0.00 0.41 0.00 0.00 41.25 40.14 1qy3 s ASN 185 CO -0.02 0.15 -0.08 -0.89 -1.51 0.00 0.00 177.10 174.75 1qy3 s THR 186 N 0.41 0.87 0.42 1.60 2.01 -0.66 -1.86 115.64 118.42 1qy3 s THR 186 Ca -0.17 -0.27 -0.26 0.00 0.31 0.00 0.00 61.69 61.30 1qy3 s THR 186 Cb -0.18 -0.86 -0.09 0.00 0.01 0.00 0.00 72.50 71.38 1qy3 s THR 186 CO 0.08 0.32 1.36 -2.16 -0.69 0.00 0.00 174.62 173.52 1qy3 s PRO 187 N 1.18 3.85 -0.01 4.92 0.04 -1.26 -0.11 135.00 143.61 1qy3 s PRO 187 Ca -0.06 2.27 -0.18 0.00 0.04 0.00 0.00 61.00 63.07 1qy3 s PRO 187 Cb -0.14 -2.72 -0.33 0.00 0.04 0.00 0.00 34.50 31.35 1qy3 s PRO 187 CO -0.02 -0.63 0.92 0.82 0.04 0.00 0.00 177.00 178.13 1qy3 h ILE 188 N 2.41 1.34 -4.42 0.56 2.04 -1.52 -3.45 117.51 114.47 1qy3 h ILE 188 Ca -0.50 -2.61 -0.47 0.00 1.00 0.00 0.00 64.86 62.28 1qy3 h ILE 188 Cb 1.25 3.08 0.11 0.00 -0.74 0.00 0.00 36.82 40.53 1qy3 h ILE 188 CO 0.62 0.77 0.35 -0.83 0.00 0.00 0.00 178.15 179.06 1qy3 s GLY 189 N -4.58 1.58 0.02 5.37 0.00 -1.26 -5.00 107.32 103.45 1qy3 s GLY 189 Ca -0.12 -0.57 0.23 0.00 0.00 0.00 0.00 44.72 44.26 1qy3 s GLY 189 CO 0.89 -0.05 1.11 1.22 0.00 0.00 0.00 173.10 176.26 1qy3 n ASP 190 N -3.54 0.69 -4.73 1.64 8.00 -1.26 -4.98 116.55 112.37 1qy3 n ASP 190 Ca 0.07 -0.47 -0.32 0.00 0.71 0.00 0.00 54.79 54.78 1qy3 n ASP 190 Cb 0.60 0.69 0.11 0.00 -0.02 0.00 0.00 41.12 42.50 1qy3 n ASP 190 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1qy3 s GLY 191 N -3.23 1.83 0.26 0.44 0.00 -1.26 -4.97 107.32 100.38 1qy3 s GLY 191 Ca 0.07 0.48 -0.30 0.00 0.00 0.00 0.00 44.72 44.98 1qy3 s GLY 191 CO 0.79 0.86 1.45 -4.14 0.00 0.00 0.00 173.10 172.06 1qy3 s PRO 192 N -4.59 4.25 0.29 2.90 0.02 -1.26 -5.04 135.00 131.56 1qy3 s PRO 192 Ca 0.65 2.33 0.11 0.00 0.02 0.00 0.00 61.00 64.11 1qy3 s PRO 192 Cb -0.21 -3.09 -0.05 0.00 0.02 0.00 0.00 34.50 31.17 1qy3 s PRO 192 CO 0.53 -0.43 -0.10 0.14 -0.33 0.00 0.00 177.00 176.81 1qy3 s VAL 193 N -0.11 2.80 -0.25 3.83 -7.23 -1.26 -4.81 120.40 113.38 1qy3 s VAL 193 Ca 0.59 -2.18 -0.21 0.00 -1.81 0.00 0.00 61.98 58.37 1qy3 s VAL 193 Cb -0.42 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.94 1qy3 s VAL 193 CO 0.45 -0.36 0.66 -0.76 -0.31 0.00 0.00 175.10 174.78 1qy3 s LEU 194 N -3.60 4.07 -0.45 1.32 1.43 -1.26 -5.02 118.68 115.17 1qy3 s LEU 194 Ca 0.31 0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 54.01 1qy3 s LEU 194 Cb -0.04 -2.90 0.04 0.00 0.03 0.00 0.00 46.19 43.31 1qy3 s LEU 194 CO 0.17 -0.38 0.43 -0.76 0.23 0.00 0.00 176.35 176.05 1qy3 s LEU 195 N 2.49 5.13 0.67 1.79 1.43 -1.26 -4.01 118.68 124.91 1qy3 s LEU 195 Ca 0.28 -0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 52.34 1qy3 s LEU 195 Cb -0.15 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.75 1qy3 s LEU 195 CO 0.08 -0.63 1.06 -2.16 0.23 0.00 0.00 176.35 174.94 1qy3 s PRO 196 N 2.01 3.15 0.55 1.29 0.04 -1.26 -4.95 135.00 135.83 1qy3 s PRO 196 Ca 0.09 0.55 -0.05 0.00 0.04 0.00 0.00 61.00 61.64 1qy3 s PRO 196 Cb -0.20 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1qy3 s PRO 196 CO 0.11 -0.83 0.85 -0.51 0.04 0.00 0.00 177.00 176.65 1qy3 s ASP 197 N -4.29 5.69 0.13 6.66 1.01 -1.26 -4.08 116.67 120.53 1qy3 s ASP 197 Ca 0.57 0.65 -0.32 0.00 0.71 0.00 0.00 52.55 54.15 1qy3 s ASP 197 Cb -0.11 -1.71 -0.12 0.00 1.01 0.00 0.00 42.92 41.99 1qy3 s ASP 197 CO 0.52 -0.96 1.75 0.59 0.21 0.00 0.00 175.17 177.29 1qy3 n ASN 198 N -2.46 3.71 -2.31 0.27 3.02 -1.26 -4.86 115.26 111.36 1qy3 n ASN 198 Ca 0.04 1.03 -0.08 0.00 -0.03 0.00 0.00 54.58 55.53 1qy3 n ASN 198 Cb 0.57 -1.50 0.01 0.00 -0.61 0.00 0.00 39.78 38.25 1qy3 n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qy3 n HIS 199 N 4.81 -1.68 -4.02 3.10 1.44 -1.10 -4.75 115.22 113.02 1qy3 n HIS 199 Ca 0.18 -1.44 -0.08 0.00 -2.01 0.00 0.00 57.72 54.37 1qy3 n HIS 199 Cb 0.34 0.56 -0.10 0.00 0.12 0.00 0.00 29.99 30.91 1qy3 n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 1qy3 s TYR 200 N -3.96 0.39 -0.27 -1.40 -0.85 -0.50 -0.65 117.35 110.11 1qy3 s TYR 200 Ca 0.15 -0.85 -0.06 0.00 -0.52 0.00 0.00 57.07 55.78 1qy3 s TYR 200 Cb -0.02 -0.29 -0.00 0.00 0.38 0.00 0.00 41.96 42.03 1qy3 s TYR 200 CO 0.11 -0.37 0.05 -0.51 -1.52 0.00 0.00 175.55 173.31 1qy3 s LEU 201 N -2.59 3.55 -0.37 -3.49 1.43 -0.47 -0.63 118.68 116.10 1qy3 s LEU 201 Ca 0.02 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.35 1qy3 s LEU 201 Cb 0.04 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1qy3 s LEU 201 CO -0.08 -0.11 0.90 -0.55 0.23 0.00 0.00 176.35 176.74 1qy3 s SER 202 N 1.53 6.65 -0.13 2.29 0.15 0.18 -1.03 113.70 123.33 1qy3 s SER 202 Ca 0.04 0.51 -0.01 0.00 0.70 0.00 0.00 55.95 57.19 1qy3 s SER 202 Cb -0.16 -2.45 -0.02 0.00 -1.71 0.00 0.00 66.02 61.68 1qy3 s SER 202 CO 0.02 -0.85 -0.09 -0.89 1.20 0.00 0.00 173.24 172.62 1qy3 s THR 203 N 3.43 3.39 -0.10 6.45 2.01 0.01 -1.21 115.64 129.61 1qy3 s THR 203 Ca 0.37 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.84 1qy3 s THR 203 Cb -0.12 -2.44 0.02 0.00 0.01 0.00 0.00 72.50 69.96 1qy3 s THR 203 CO 0.19 0.52 -0.14 -1.10 -0.69 0.00 0.00 174.62 173.39 1qy3 s GLN 204 N 0.28 2.10 -0.04 4.92 1.11 -0.35 -2.00 119.66 125.68 1qy3 s GLN 204 Ca -0.07 -0.52 0.03 0.00 0.01 0.00 0.00 55.36 54.81 1qy3 s GLN 204 Cb -0.15 -1.81 0.01 0.00 -1.01 0.00 0.00 33.01 30.05 1qy3 s GLN 204 CO 0.04 -0.07 -0.11 -1.12 0.01 0.00 0.00 175.29 174.05 1qy3 s SER 205 N 1.01 1.51 -0.22 5.90 0.01 -1.26 -1.06 113.70 119.58 1qy3 s SER 205 Ca -0.07 -0.24 -0.00 0.00 1.31 0.00 0.00 55.95 56.95 1qy3 s SER 205 Cb -0.15 -0.52 0.03 0.00 0.21 0.00 0.00 66.02 65.59 1qy3 s SER 205 CO -0.02 0.06 -0.11 0.00 0.41 0.00 0.00 173.24 173.58 1qy3 s ALA 206 N 0.36 2.56 -0.02 1.44 0.00 0.28 -4.46 121.76 121.92 1qy3 s ALA 206 Ca -0.07 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 50.40 1qy3 s ALA 206 Cb -0.12 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.45 1qy3 s ALA 206 CO 0.02 -0.68 0.28 -0.51 0.00 0.00 0.00 175.76 174.86 1qy3 s LEU 207 N 1.29 4.40 0.33 0.00 1.43 -1.26 -1.69 118.68 123.18 1qy3 s LEU 207 Ca 0.01 0.65 -0.09 0.00 -1.03 0.00 0.00 54.13 53.66 1qy3 s LEU 207 Cb -0.16 -2.53 0.02 0.00 0.03 0.00 0.00 46.19 43.55 1qy3 s LEU 207 CO -0.07 0.30 0.57 -0.94 0.23 0.00 0.00 176.35 176.44 1qy3 s SER 208 N -1.40 0.38 0.10 2.29 1.04 -0.22 -4.97 113.70 110.92 1qy3 s SER 208 Ca 0.24 -1.23 0.09 0.00 0.48 0.00 0.00 55.95 55.53 1qy3 s SER 208 Cb -0.14 0.70 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 1qy3 s SER 208 CO 0.13 -1.37 -0.23 -0.54 0.98 0.00 0.00 173.24 172.21 1qy3 s LYS 209 N -3.12 1.25 -0.33 4.02 -0.14 -1.26 -1.52 119.74 118.64 1qy3 s LYS 209 Ca 0.24 -1.18 -0.19 0.00 -1.36 0.00 0.00 55.97 53.47 1qy3 s LYS 209 Cb -0.02 -1.55 -0.01 0.00 -1.68 0.00 0.00 37.83 34.57 1qy3 s LYS 209 CO 0.15 0.37 0.57 0.34 -0.76 0.00 0.00 175.35 176.02 1qy3 s ASP 210 N -1.84 6.40 0.56 2.83 2.15 -1.26 -4.97 116.67 120.54 1qy3 s ASP 210 Ca 0.09 0.21 0.29 0.00 0.43 0.00 0.00 52.55 53.57 1qy3 s ASP 210 Cb -0.10 -2.30 1.46 0.00 -0.30 0.00 0.00 42.92 41.68 1qy3 s ASP 210 CO 0.04 -0.48 1.89 1.55 -0.17 0.00 0.00 175.17 178.01 1qy3 h PRO 211 N 8.33 0.00 -0.01 4.34 0.13 -2.04 -1.63 132.00 141.12 1qy3 h PRO 211 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1qy3 h PRO 211 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1qy3 h PRO 211 CO 0.79 0.00 -0.51 0.09 -0.23 0.00 0.00 178.00 178.14 1qy3 n ASN 212 N -3.97 1.33 -4.66 1.44 3.02 -1.26 -4.90 115.26 106.26 1qy3 n ASN 212 Ca 0.13 -1.06 -0.40 0.00 -0.03 0.00 0.00 54.58 53.21 1qy3 n ASN 212 Cb 0.79 0.44 -0.06 0.00 -0.61 0.00 0.00 39.78 40.34 1qy3 n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1qy3 s GLU 213 N -2.65 4.21 0.02 3.52 2.56 -0.62 -4.95 118.70 120.79 1qy3 s GLU 213 Ca 0.17 0.69 0.22 0.00 0.00 0.00 0.00 54.97 56.05 1qy3 s GLU 213 Cb 0.18 -3.59 -0.08 0.00 2.00 0.00 0.00 34.13 32.64 1qy3 s GLU 213 CO 0.63 -0.29 0.91 1.63 -0.56 0.00 0.00 175.26 177.58 1qy3 n LYS 214 N 5.23 0.27 -2.23 4.30 5.02 -1.26 -4.88 118.16 124.61 1qy3 n LYS 214 Ca 0.00 -0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 55.95 1qy3 n LYS 214 Cb 0.49 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.94 1qy3 n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1qy3 s ARG 215 N -3.19 3.71 -0.11 1.97 0.52 -1.26 -4.98 118.95 115.61 1qy3 s ARG 215 Ca 0.03 0.71 -0.29 0.00 -0.52 0.00 0.00 55.73 55.65 1qy3 s ARG 215 Cb 0.15 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.41 1qy3 s ARG 215 CO 0.84 -0.38 1.60 0.34 0.02 0.00 0.00 175.30 177.71 1qy3 s ASP 216 N -3.74 6.63 0.32 0.23 -1.08 -1.26 -4.96 116.67 112.82 1qy3 s ASP 216 Ca 0.55 2.02 -0.00 0.00 -0.52 0.00 0.00 52.55 54.60 1qy3 s ASP 216 Cb -0.11 -2.53 -0.01 0.00 -1.46 0.00 0.00 42.92 38.81 1qy3 s ASP 216 CO 0.44 -0.99 0.39 -1.38 0.52 0.00 0.00 175.17 174.15 1qy3 s HIS 217 N 4.26 1.24 -0.20 -5.34 -3.43 -1.26 -1.23 115.29 109.32 1qy3 s HIS 217 Ca 0.71 -1.38 -0.07 0.00 -0.80 0.00 0.00 55.06 53.52 1qy3 s HIS 217 Cb -0.30 -0.30 0.09 0.00 -1.43 0.00 0.00 32.58 30.65 1qy3 s HIS 217 CO 0.27 -1.01 0.42 1.41 -2.00 0.00 0.00 174.74 173.84 1qy3 s MET 218 N -3.32 0.33 -0.17 -0.38 1.75 -0.08 -4.96 119.30 112.47 1qy3 s MET 218 Ca 0.34 1.04 -0.12 0.00 -1.25 0.00 0.00 55.69 55.70 1qy3 s MET 218 Cb 0.01 0.33 -0.05 0.00 2.84 0.00 0.00 34.83 37.97 1qy3 s MET 218 CO 0.21 -0.26 0.21 0.08 -0.65 0.00 0.00 175.02 174.61 1qy3 s VAL 219 N 2.62 5.36 -0.04 10.11 1.01 -0.57 -0.48 120.40 138.41 1qy3 s VAL 219 Ca -0.01 0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1qy3 s VAL 219 Cb -0.12 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.72 1qy3 s VAL 219 CO -0.13 0.44 -0.10 -0.22 0.00 0.00 0.00 175.10 175.09 1qy3 s LEU 220 N 0.23 1.71 -0.21 3.92 2.96 0.95 -1.05 118.68 127.18 1qy3 s LEU 220 Ca 0.13 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.82 1qy3 s LEU 220 Cb -0.12 -0.64 0.03 0.00 0.50 0.00 0.00 46.19 45.96 1qy3 s LEU 220 CO 0.02 0.05 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.74 1qy3 s LEU 221 N 0.36 2.69 -0.01 -0.68 2.96 -0.68 -0.98 118.68 122.34 1qy3 s LEU 221 Ca -0.07 -0.85 0.03 0.00 -0.22 0.00 0.00 54.13 53.03 1qy3 s LEU 221 Cb -0.11 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 1qy3 s LEU 221 CO 0.01 -0.07 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.16 1qy3 s GLU 222 N 1.27 0.93 -0.17 1.98 2.12 0.02 -0.56 118.70 124.29 1qy3 s GLU 222 Ca 0.01 -0.38 0.01 0.00 0.36 0.00 0.00 54.97 54.97 1qy3 s GLU 222 Cb -0.15 -0.89 0.02 0.00 0.26 0.00 0.00 34.13 33.36 1qy3 s GLU 222 CO -0.09 0.21 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.58 1qy3 s PHE 223 N -0.17 2.74 -0.10 5.30 0.40 -0.23 -0.69 117.98 125.23 1qy3 s PHE 223 Ca 0.03 -1.58 0.03 0.00 -0.60 0.00 0.00 56.93 54.81 1qy3 s PHE 223 Cb -0.05 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.59 1qy3 s PHE 223 CO -0.00 -0.77 -0.19 0.08 0.70 0.00 0.00 175.22 175.04 1qy3 s VAL 224 N 1.19 1.74 -0.03 -0.44 1.01 -0.54 -1.22 120.40 122.11 1qy3 s VAL 224 Ca 0.02 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1qy3 s VAL 224 Cb -0.14 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1qy3 s VAL 224 CO -0.11 0.49 -0.03 -0.89 0.00 0.00 0.00 175.10 174.56 1qy3 s THR 225 N 0.69 0.36 0.28 3.92 2.01 -0.35 -1.29 115.64 121.26 1qy3 s THR 225 Ca -0.12 -0.07 -0.28 0.00 0.31 0.00 0.00 61.69 61.53 1qy3 s THR 225 Cb -0.16 -0.40 -0.09 0.00 0.01 0.00 0.00 72.50 71.86 1qy3 s THR 225 CO 0.03 0.17 0.94 0.00 -0.69 0.00 0.00 174.62 175.06 1qy3 s ALA 226 N 0.69 3.28 0.38 7.40 0.00 -0.14 0.49 121.76 133.86 1qy3 s ALA 226 Ca -0.08 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 52.35 1qy3 s ALA 226 Cb -0.11 -3.19 0.04 0.00 0.00 0.00 0.00 23.12 19.86 1qy3 s ALA 226 CO -0.01 0.20 0.68 0.00 0.00 0.00 0.00 175.76 176.63 1qy3 s ALA 227 N -1.38 -0.11 0.00 0.00 0.00 0.19 -4.57 121.76 115.90 1qy3 s ALA 227 Ca 0.45 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1qy3 s ALA 227 Cb -0.23 0.84 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1qy3 s ALA 227 CO 0.28 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1qy3 n GLY 228 N -0.56 2.38 0.00 0.00 0.00 -1.26 -1.41 105.19 104.34 1qy3 n GLY 228 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1qy3 n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71