#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk3 n SER 0 N 0.00 0.00 0.00 1.61 7.64 -1.24 -4.88 113.62 116.75 1qk3 n SER 0 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1qk3 n SER 0 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1qk3 n SER 0 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1qk3 n HIS 0 N 0.00 0.00 -1.92 1.43 -0.00 -1.26 -4.68 115.22 108.78 1qk3 n HIS 0 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 1qk3 n HIS 0 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 1qk3 n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1qk3 s MET 1 N 0.00 4.21 0.07 -0.41 1.75 -1.26 -4.15 119.30 119.51 1qk3 s MET 1 Ca 0.00 2.40 -0.28 0.00 -1.25 0.00 0.00 55.69 56.55 1qk3 s MET 1 Cb 0.00 -3.09 -0.13 0.00 2.84 0.00 0.00 34.83 34.44 1qk3 s MET 1 CO 0.00 -0.53 1.44 0.00 -0.65 0.00 0.00 175.02 175.29 1qk3 h ALA 2 N 5.39 -1.04 -2.98 4.11 0.00 -1.81 -3.42 119.26 119.50 1qk3 h ALA 2 Ca -0.45 -0.14 -0.56 0.00 0.00 0.00 0.00 54.91 53.76 1qk3 h ALA 2 Cb 1.21 0.68 0.15 0.00 0.00 0.00 0.00 17.79 19.84 1qk3 h ALA 2 CO 0.81 -1.08 0.45 -1.13 0.00 0.00 0.00 179.25 178.30 1qk3 n SER 3 N -4.88 2.01 -3.64 0.00 3.41 -1.26 -4.94 113.62 104.33 1qk3 n SER 3 Ca -0.09 0.90 -0.08 0.00 -0.26 0.00 0.00 58.87 59.34 1qk3 n SER 3 Cb 0.36 -1.52 -0.07 0.00 -0.26 0.00 0.00 64.21 62.72 1qk3 n SER 3 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1qk3 s LYS 4 N -2.97 0.44 0.24 4.33 2.20 -1.26 -5.07 119.74 117.64 1qk3 s LYS 4 Ca 0.76 0.54 -0.31 0.00 -0.36 0.00 0.00 55.97 56.60 1qk3 s LYS 4 Cb -0.41 0.20 -0.13 0.00 -1.51 0.00 0.00 37.83 35.97 1qk3 s LYS 4 CO 0.46 -0.06 1.40 -2.30 -0.36 0.00 0.00 175.35 174.49 1qk3 n PRO 5 N 2.32 2.00 -0.03 4.03 -0.02 -1.26 -4.70 135.00 137.35 1qk3 n PRO 5 Ca -0.13 0.71 0.06 0.00 -2.02 0.00 0.00 63.50 62.13 1qk3 n PRO 5 Cb 0.56 -2.36 0.44 0.00 -0.02 0.00 0.00 33.50 32.12 1qk3 n PRO 5 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1qk3 h ILE 6 N 3.03 1.04 0.00 4.25 1.08 -1.94 -1.99 117.51 122.99 1qk3 h ILE 6 Ca -0.45 -0.18 -0.00 0.00 -0.39 0.00 0.00 64.86 63.84 1qk3 h ILE 6 Cb 1.28 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.50 1qk3 h ILE 6 CO 0.75 0.10 -0.00 -0.33 -0.69 0.00 0.00 178.15 177.98 1qk3 h GLU 7 N 0.53 0.00 0.00 2.37 3.07 -1.99 -1.62 114.58 116.95 1qk3 h GLU 7 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1qk3 h GLU 7 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1qk3 h GLU 7 CO -0.05 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.31 1qk3 n ASP 8 N -3.15 0.00 -4.64 1.42 8.00 -0.75 -4.89 116.55 112.55 1qk3 n ASP 8 Ca -0.03 -0.06 -0.49 0.00 0.71 0.00 0.00 54.79 54.92 1qk3 n ASP 8 Cb 0.07 -0.31 -0.05 0.00 -0.02 0.00 0.00 41.12 40.81 1qk3 n ASP 8 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qk3 n TYR 9 N -1.31 1.93 -0.87 1.24 9.36 -0.61 -1.47 117.16 125.42 1qk3 n TYR 9 Ca 0.13 0.43 0.00 0.00 3.32 0.00 0.00 57.90 61.78 1qk3 n TYR 9 Cb 0.25 -2.45 0.00 0.00 -0.63 0.00 0.00 39.34 36.51 1qk3 n TYR 9 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1qk3 n GLY 10 N 3.12 1.12 0.02 2.98 0.00 -1.26 -4.89 105.19 106.28 1qk3 n GLY 10 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 1qk3 n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1qk3 n LYS 11 N -2.00 0.18 -2.88 1.61 5.02 -0.54 -0.64 118.16 118.90 1qk3 n LYS 11 Ca 0.00 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.06 1qk3 n LYS 11 Cb 0.00 -1.55 0.03 0.00 -0.02 0.00 0.00 35.03 33.48 1qk3 n LYS 11 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qk3 n GLY 12 N 1.42 -0.52 3.70 0.72 0.00 -1.25 -4.78 105.19 104.48 1qk3 n GLY 12 Ca 0.03 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1qk3 n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qk3 s LYS 13 N -5.56 4.47 -0.38 1.61 2.20 -1.26 -2.90 119.74 117.92 1qk3 s LYS 13 Ca 0.24 1.50 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 1qk3 s LYS 13 Cb -0.10 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 1qk3 s LYS 13 CO 0.29 -0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 1qk3 n GLY 14 N 3.07 0.65 3.83 5.54 0.00 -1.26 0.42 105.19 117.44 1qk3 n GLY 14 Ca 0.08 -0.57 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 1qk3 n GLY 14 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qk3 s ARG 15 N -1.83 2.33 -0.22 1.61 1.70 -1.14 -3.62 118.95 117.78 1qk3 s ARG 15 Ca 0.00 0.55 -0.23 0.00 -0.47 0.00 0.00 55.73 55.59 1qk3 s ARG 15 Cb 0.00 -1.95 -0.02 0.00 -0.57 0.00 0.00 34.95 32.41 1qk3 s ARG 15 CO 0.00 -1.43 0.73 0.42 -1.08 0.00 0.00 175.30 173.94 1qk3 s ILE 16 N -3.24 4.93 0.48 4.99 1.01 -1.26 -4.92 121.20 123.18 1qk3 s ILE 16 Ca 0.60 1.37 -0.24 0.00 0.00 0.00 0.00 60.65 62.38 1qk3 s ILE 16 Cb -0.13 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 38.24 1qk3 s ILE 16 CO 0.53 0.02 1.40 -1.61 0.00 0.00 0.00 174.94 175.28 1qk3 s GLU 17 N 2.37 3.53 1.03 2.79 0.41 -1.26 -4.73 118.70 122.83 1qk3 s GLU 17 Ca 0.32 2.34 -0.12 0.00 -0.41 0.00 0.00 54.97 57.10 1qk3 s GLU 17 Cb -0.16 -2.53 0.21 0.00 -1.78 0.00 0.00 34.13 29.87 1qk3 s GLU 17 CO 0.09 -0.92 1.07 -1.25 -0.49 0.00 0.00 175.26 173.77 1qk3 s PRO 18 N -2.59 0.13 0.06 0.39 0.04 -1.26 -4.95 135.00 126.82 1qk3 s PRO 18 Ca 0.64 0.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.20 1qk3 s PRO 18 Cb -0.42 -1.68 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 1qk3 s PRO 18 CO 0.53 -3.01 1.62 1.41 0.04 0.00 0.00 177.00 177.59 1qk3 s MET 19 N -4.73 4.21 -0.17 4.56 -2.45 -0.92 -4.72 119.30 115.08 1qk3 s MET 19 Ca 0.66 2.28 -0.25 0.00 -1.25 0.00 0.00 55.69 57.14 1qk3 s MET 19 Cb -0.21 -3.61 -0.02 0.00 1.25 0.00 0.00 34.83 32.24 1qk3 s MET 19 CO 0.60 -0.72 0.82 -0.47 1.05 0.00 0.00 175.02 176.30 1qk3 s TYR 20 N 2.67 3.42 -0.34 4.11 5.04 -1.26 -0.87 117.35 130.11 1qk3 s TYR 20 Ca 0.73 1.23 -0.04 0.00 -2.44 0.00 0.00 57.07 56.55 1qk3 s TYR 20 Cb -0.39 -3.00 0.06 0.00 0.35 0.00 0.00 41.96 38.99 1qk3 s TYR 20 CO 0.31 -0.24 0.09 0.42 -1.34 0.00 0.00 175.55 174.80 1qk3 s ILE 21 N 2.13 3.38 0.82 3.14 -1.09 -0.33 -4.95 121.20 124.30 1qk3 s ILE 21 Ca 0.37 -1.46 -0.12 0.00 -2.23 0.00 0.00 60.65 57.21 1qk3 s ILE 21 Cb -0.16 -3.02 0.09 0.00 -1.58 0.00 0.00 42.46 37.78 1qk3 s ILE 21 CO 0.12 -0.29 1.18 -2.84 -1.23 0.00 0.00 174.94 171.88 1qk3 s PRO 22 N 1.28 1.62 0.51 2.79 0.02 -1.26 -4.33 135.00 135.63 1qk3 s PRO 22 Ca -0.01 1.63 -0.22 0.00 0.02 0.00 0.00 61.00 62.43 1qk3 s PRO 22 Cb -0.21 -1.79 -0.08 0.00 0.02 0.00 0.00 34.50 32.45 1qk3 s PRO 22 CO -0.00 -2.20 1.04 -0.25 -0.33 0.00 0.00 177.00 175.25 1qk3 n ASP 23 N -3.48 1.27 -4.05 2.53 8.00 -1.26 -3.23 116.55 116.32 1qk3 n ASP 23 Ca 0.12 0.94 -0.29 0.00 0.71 0.00 0.00 54.79 56.28 1qk3 n ASP 23 Cb 0.51 -1.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.19 1qk3 n ASP 23 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1qk3 n ASN 24 N -0.13 -1.23 -4.19 -2.24 5.15 -1.26 -4.97 115.26 106.39 1qk3 n ASN 24 Ca 0.11 -1.02 -0.32 0.00 -0.60 0.00 0.00 54.58 52.75 1qk3 n ASN 24 Cb 0.43 -2.90 -0.17 0.00 -0.53 0.00 0.00 39.78 36.61 1qk3 n ASN 24 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1qk3 s THR 25 N -3.78 2.09 0.25 -0.44 -1.32 -1.20 -5.12 115.64 106.12 1qk3 s THR 25 Ca 0.24 -0.98 -0.01 0.00 -1.21 0.00 0.00 61.69 59.73 1qk3 s THR 25 Cb -0.13 -1.82 -0.03 0.00 -1.51 0.00 0.00 72.50 69.01 1qk3 s THR 25 CO 0.91 0.55 0.24 -0.36 -2.21 0.00 0.00 174.62 173.74 1qk3 s PHE 26 N 0.67 1.19 0.27 9.09 0.40 -1.26 -4.86 117.98 123.48 1qk3 s PHE 26 Ca -0.11 -1.36 0.09 0.00 -0.60 0.00 0.00 56.93 54.95 1qk3 s PHE 26 Cb -0.16 -0.46 -0.04 0.00 0.51 0.00 0.00 43.02 42.86 1qk3 s PHE 26 CO 0.01 -0.78 0.05 0.71 0.70 0.00 0.00 175.22 175.91 1qk3 s TYR 27 N -3.88 2.79 -0.22 0.36 2.02 0.42 -4.96 117.35 113.89 1qk3 s TYR 27 Ca 0.37 -0.20 -0.28 0.00 -0.37 0.00 0.00 57.07 56.58 1qk3 s TYR 27 Cb 0.04 -1.26 0.00 0.00 -0.40 0.00 0.00 41.96 40.34 1qk3 s TYR 27 CO 0.16 0.58 0.99 1.21 -1.57 0.00 0.00 175.55 176.92 1qk3 s ASN 28 N -3.72 7.06 0.56 2.29 2.47 -1.26 -1.63 114.94 120.71 1qk3 s ASN 28 Ca 0.32 1.32 0.24 0.00 0.42 0.00 0.00 52.86 55.17 1qk3 s ASN 28 Cb -0.07 -2.52 1.57 0.00 -1.45 0.00 0.00 41.25 38.78 1qk3 s ASN 28 CO 0.21 -0.60 2.18 0.00 -3.72 0.00 0.00 177.10 175.16 1qk3 h ALA 29 N 7.45 1.81 0.00 1.71 0.00 -1.86 -1.69 119.26 126.68 1qk3 h ALA 29 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1qk3 h ALA 29 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1qk3 h ALA 29 CO 0.94 -0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.85 1qk3 n ASP 30 N -4.13 0.45 -0.01 0.00 8.00 -1.26 -2.01 116.55 117.59 1qk3 n ASP 30 Ca -0.01 0.65 0.14 0.00 0.71 0.00 0.00 54.79 56.27 1qk3 n ASP 30 Cb 0.16 -0.73 0.53 0.00 -0.02 0.00 0.00 41.12 41.06 1qk3 n ASP 30 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1qk3 n ASP 31 N -2.04 0.16 -4.41 -2.24 8.00 -0.63 -4.92 116.55 110.47 1qk3 n ASP 31 Ca 0.01 0.20 -0.21 0.00 0.71 0.00 0.00 54.79 55.51 1qk3 n ASP 31 Cb 0.13 -0.26 -0.10 0.00 -0.02 0.00 0.00 41.12 40.87 1qk3 n ASP 31 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qk3 s PHE 32 N -2.95 1.92 -0.23 1.24 0.08 -0.85 -5.11 117.98 112.07 1qk3 s PHE 32 Ca 0.15 -0.60 -0.29 0.00 0.12 0.00 0.00 56.93 56.30 1qk3 s PHE 32 Cb 0.19 -0.99 0.00 0.00 -0.57 0.00 0.00 43.02 41.65 1qk3 s PHE 32 CO 0.57 0.37 1.17 -1.17 -0.10 0.00 0.00 175.22 176.06 1qk3 s LEU 33 N -3.41 4.07 -0.04 -0.37 2.96 -1.26 -5.02 118.68 115.62 1qk3 s LEU 33 Ca 0.27 1.42 0.04 0.00 -0.22 0.00 0.00 54.13 55.64 1qk3 s LEU 33 Cb 0.01 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.16 1qk3 s LEU 33 CO 0.10 -0.80 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.48 1qk3 s VAL 34 N 3.55 1.39 0.27 1.68 1.01 -1.26 -4.84 120.40 122.20 1qk3 s VAL 34 Ca 0.50 -0.71 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 1qk3 s VAL 34 Cb -0.17 -1.19 -0.12 0.00 0.00 0.00 0.00 36.38 34.90 1qk3 s VAL 34 CO 0.13 0.40 1.59 -2.65 0.00 0.00 0.00 175.10 174.57 1qk3 n PRO 35 N 3.05 2.61 -0.28 2.72 -0.02 -1.26 -4.88 135.00 136.93 1qk3 n PRO 35 Ca -0.17 0.93 0.14 0.00 -2.02 0.00 0.00 63.50 62.37 1qk3 n PRO 35 Cb 0.53 -2.70 0.39 0.00 -0.02 0.00 0.00 33.50 31.70 1qk3 n PRO 35 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1qk3 h PRO 36 N 4.97 0.64 0.00 0.52 0.11 -2.01 -0.05 132.00 136.18 1qk3 h PRO 36 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1qk3 h PRO 36 Cb 1.23 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1qk3 h PRO 36 CO 0.81 0.42 0.00 -2.39 -0.21 0.00 0.00 178.00 176.63 1qk3 n HIS 37 N -4.59 0.49 0.94 0.65 1.44 -1.26 -1.98 115.22 110.92 1qk3 n HIS 37 Ca 0.19 0.19 0.11 0.00 -2.01 0.00 0.00 57.72 56.20 1qk3 n HIS 37 Cb 0.54 -0.81 -0.02 0.00 0.12 0.00 0.00 29.99 29.81 1qk3 n HIS 37 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qk3 h LYS 39 N 0.00 0.70 0.00 0.00 1.57 -1.21 -0.58 116.57 117.05 1qk3 h LYS 39 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1qk3 h LYS 39 Cb 0.53 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1qk3 h LYS 39 CO 0.00 0.46 0.00 -1.35 -0.57 0.00 0.00 179.45 177.99 1qk3 h PRO 40 N 0.72 0.00 -0.09 3.15 0.11 -1.79 -2.87 132.00 131.24 1qk3 h PRO 40 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1qk3 h PRO 40 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1qk3 h PRO 40 CO -0.07 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.38 1qk3 n TYR 41 N -2.85 0.10 -3.68 0.65 4.02 -0.25 -4.87 117.16 110.28 1qk3 n TYR 41 Ca -0.01 -0.09 -0.25 0.00 -0.01 0.00 0.00 57.90 57.55 1qk3 n TYR 41 Cb 0.17 -0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.32 1qk3 n TYR 41 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1qk3 s ILE 42 N -1.10 0.16 -0.14 -0.72 1.01 -1.05 -4.45 121.20 114.91 1qk3 s ILE 42 Ca 0.18 -0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.79 1qk3 s ILE 42 Cb 0.12 -0.63 -0.14 0.00 0.01 0.00 0.00 42.46 41.82 1qk3 s ILE 42 CO 0.17 -0.09 -0.01 -0.90 0.00 0.00 0.00 174.94 174.11 1qk3 n ASP 43 N 5.19 2.10 -4.14 3.58 5.75 -1.26 -4.81 116.55 122.95 1qk3 n ASP 43 Ca -0.07 -0.02 -0.17 0.00 -0.01 0.00 0.00 54.79 54.51 1qk3 n ASP 43 Cb 0.49 0.51 -0.12 0.00 -1.03 0.00 0.00 41.12 40.97 1qk3 n ASP 43 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1qk3 s LYS 44 N -2.31 0.75 -0.09 0.11 1.02 -1.26 -2.90 119.74 115.06 1qk3 s LYS 44 Ca -0.11 -0.89 -0.01 0.00 0.02 0.00 0.00 55.97 54.98 1qk3 s LYS 44 Cb 0.04 -0.70 -0.03 0.00 -0.52 0.00 0.00 37.83 36.62 1qk3 s LYS 44 CO 0.48 0.15 -0.04 0.42 -0.92 0.00 0.00 175.35 175.45 1qk3 s ILE 45 N -1.26 3.96 -0.17 2.17 1.01 -0.65 -4.59 121.20 121.67 1qk3 s ILE 45 Ca -0.04 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.08 1qk3 s ILE 45 Cb -0.10 -2.65 -0.22 0.00 0.01 0.00 0.00 42.46 39.50 1qk3 s ILE 45 CO 0.02 0.59 0.27 -0.11 0.00 0.00 0.00 174.94 175.70 1qk3 n LEU 46 N 2.35 2.17 -3.66 2.97 7.94 0.77 -0.43 117.00 129.10 1qk3 n LEU 46 Ca -0.18 0.34 -0.25 0.00 -1.11 0.00 0.00 56.01 54.81 1qk3 n LEU 46 Cb 0.53 -1.03 -0.17 0.00 0.53 0.00 0.00 43.42 43.28 1qk3 n LEU 46 CO 0.28 0.51 -0.34 -0.76 -1.11 0.00 0.00 177.39 175.96 1qk3 s LEU 47 N -7.55 0.53 0.44 -1.96 1.43 -0.82 -4.71 118.68 106.04 1qk3 s LEU 47 Ca -0.26 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.08 1qk3 s LEU 47 Cb 0.06 -0.33 -0.09 0.00 0.03 0.00 0.00 46.19 45.87 1qk3 s LEU 47 CO 0.66 -0.31 1.34 -2.65 0.23 0.00 0.00 176.35 175.62 1qk3 n PRO 48 N 5.22 2.06 -0.09 1.29 -0.02 -1.26 -0.99 135.00 141.21 1qk3 n PRO 48 Ca -0.07 0.74 0.14 0.00 -2.02 0.00 0.00 63.50 62.29 1qk3 n PRO 48 Cb 0.49 -2.49 0.53 0.00 -0.02 0.00 0.00 33.50 32.00 1qk3 n PRO 48 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1qk3 h GLY 49 N 2.16 0.53 1.80 -1.23 0.00 -1.91 -0.91 103.07 103.51 1qk3 h GLY 49 Ca -0.49 -0.15 -0.14 0.00 0.00 0.00 0.00 47.33 46.55 1qk3 h GLY 49 CO 0.60 0.07 -0.61 -1.33 0.00 0.00 0.00 176.54 175.27 1qk3 h GLY 50 N 0.35 0.22 1.00 4.60 0.00 -1.90 -1.45 103.07 105.90 1qk3 h GLY 50 Ca 0.30 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 1qk3 h GLY 50 CO -0.08 0.25 -0.18 -2.00 0.00 0.00 0.00 176.54 174.53 1qk3 h LEU 51 N 0.15 0.82 -0.59 3.11 5.85 -1.56 -1.64 115.31 121.45 1qk3 h LEU 51 Ca -0.01 -0.40 0.10 0.00 0.84 0.00 0.00 57.88 58.41 1qk3 h LEU 51 Cb 1.12 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 1qk3 h LEU 51 CO 0.09 1.04 0.16 0.58 -0.34 0.00 0.00 178.44 179.98 1qk3 h VAL 52 N 0.60 0.70 -0.47 1.05 2.07 -1.10 -1.61 116.25 117.49 1qk3 h VAL 52 Ca 0.09 -0.11 -0.14 0.00 0.82 0.00 0.00 66.70 67.36 1qk3 h VAL 52 Cb 0.73 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1qk3 h VAL 52 CO 0.05 0.06 -0.24 0.11 0.02 0.00 0.00 177.57 177.57 1qk3 h LYS 53 N 0.31 0.98 -0.59 1.57 1.57 -1.11 -1.40 116.57 117.91 1qk3 h LYS 53 Ca 0.31 -0.43 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1qk3 h LYS 53 Cb 0.42 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1qk3 h LYS 53 CO -0.36 1.11 0.24 -0.44 -0.57 0.00 0.00 179.45 179.43 1qk3 h ASP 54 N 0.84 0.77 -0.40 0.86 3.32 -0.96 -1.33 116.42 119.51 1qk3 h ASP 54 Ca 0.10 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 1qk3 h ASP 54 Cb 0.82 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1qk3 h ASP 54 CO 0.07 0.69 -0.31 0.03 -1.72 0.00 0.00 179.24 178.00 1qk3 h ARG 55 N 0.84 0.92 -0.70 3.56 2.47 -0.95 -2.14 114.38 118.38 1qk3 h ARG 55 Ca 0.20 -0.45 -0.01 0.00 -1.26 0.00 0.00 59.98 58.46 1qk3 h ARG 55 Cb 0.16 -0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 1qk3 h ARG 55 CO -0.02 1.11 0.39 0.28 0.56 0.00 0.00 179.97 182.29 1qk3 h VAL 56 N 0.75 1.20 -0.58 2.04 2.07 -0.90 0.07 116.25 120.90 1qk3 h VAL 56 Ca 0.08 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1qk3 h VAL 56 Cb 0.90 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1qk3 h VAL 56 CO 0.08 0.22 0.28 -0.08 0.02 0.00 0.00 177.57 178.10 1qk3 h GLU 57 N 0.97 0.83 -0.48 1.57 4.81 -1.11 -0.73 114.58 120.44 1qk3 h GLU 57 Ca 0.25 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 1qk3 h GLU 57 Cb 0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1qk3 h GLU 57 CO -0.04 0.67 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.46 1qk3 h LYS 58 N 0.79 1.00 -0.24 1.92 1.63 -0.85 -1.63 116.57 119.19 1qk3 h LYS 58 Ca 0.20 -0.44 -0.06 0.00 -0.85 0.00 0.00 60.65 59.51 1qk3 h LYS 58 Cb 0.11 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1qk3 h LYS 58 CO -0.03 1.11 -0.10 -0.07 -3.45 0.00 0.00 179.45 176.91 1qk3 h LEU 59 N 0.85 0.36 -0.52 5.20 3.38 -0.68 -1.16 115.31 122.74 1qk3 h LEU 59 Ca 0.11 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1qk3 h LEU 59 Cb 0.81 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1qk3 h LEU 59 CO 0.07 0.51 -0.05 0.00 0.09 0.00 0.00 178.44 179.06 1qk3 h ALA 60 N 1.54 0.70 -0.04 1.53 0.00 -0.83 0.44 119.26 122.60 1qk3 h ALA 60 Ca 0.07 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1qk3 h ALA 60 Cb 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1qk3 h ALA 60 CO 0.02 0.56 -0.12 -0.92 0.00 0.00 0.00 179.25 178.79 1qk3 h TYR 61 N 0.81 -0.30 -0.23 0.00 3.20 -0.80 -1.09 116.97 118.56 1qk3 h TYR 61 Ca 0.14 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1qk3 h TYR 61 Cb 0.59 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 1qk3 h TYR 61 CO 0.04 -0.18 0.02 -0.44 -1.64 0.00 0.00 178.16 175.96 1qk3 h ASP 62 N -0.18 -0.04 -0.51 -2.11 3.32 -0.72 -1.63 116.42 114.55 1qk3 h ASP 62 Ca 0.06 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.19 1qk3 h ASP 62 Cb 0.26 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1qk3 h ASP 62 CO -0.15 0.01 0.27 0.40 -1.72 0.00 0.00 179.24 178.05 1qk3 h ILE 63 N 0.10 0.98 -0.79 0.35 2.04 -0.81 -1.62 117.51 117.76 1qk3 h ILE 63 Ca 0.11 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.81 1qk3 h ILE 63 Cb 0.13 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 1qk3 h ILE 63 CO -0.17 0.10 0.51 -0.74 0.00 0.00 0.00 178.15 177.86 1qk3 h HIS 64 N 0.53 0.97 -0.48 1.37 2.76 -0.95 -1.79 115.15 117.55 1qk3 h HIS 64 Ca 0.22 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.34 1qk3 h HIS 64 Cb 0.11 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.73 1qk3 h HIS 64 CO -0.09 0.58 -0.00 -0.09 -1.30 0.00 0.00 177.93 177.03 1qk3 h ARG 65 N 1.03 0.86 -0.71 5.26 2.43 -1.11 -0.81 114.38 121.32 1qk3 h ARG 65 Ca 0.30 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1qk3 h ARG 65 Cb -0.05 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1qk3 h ARG 65 CO -0.09 0.90 0.45 1.15 -1.51 0.00 0.00 179.97 180.87 1qk3 h THR 66 N 0.71 1.19 -0.64 0.20 2.02 -0.57 -2.91 112.91 112.91 1qk3 h THR 66 Ca 0.14 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1qk3 h THR 66 Cb 0.51 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1qk3 h THR 66 CO 0.03 0.19 0.00 -1.22 0.37 0.00 0.00 175.52 174.88 1qk3 n TYR 67 N -4.57 1.26 -1.61 3.16 4.02 -0.74 -3.05 117.16 115.63 1qk3 n TYR 67 Ca 0.06 -0.53 -0.52 0.00 -0.01 0.00 0.00 57.90 56.90 1qk3 n TYR 67 Cb 0.03 -0.16 -0.06 0.00 -0.02 0.00 0.00 39.34 39.13 1qk3 n TYR 67 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1qk3 n PHE 68 N 1.21 1.63 -0.97 -0.72 7.35 -0.32 -1.05 117.46 124.58 1qk3 n PHE 68 Ca 0.24 0.59 0.00 0.00 -0.76 0.00 0.00 57.45 57.52 1qk3 n PHE 68 Cb 0.76 -2.36 0.00 0.00 0.35 0.00 0.00 39.48 38.23 1qk3 n PHE 68 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1qk3 n GLY 69 N 2.77 0.35 3.57 7.13 0.00 -1.26 -5.01 105.19 112.74 1qk3 n GLY 69 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1qk3 n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qk3 s GLU 70 N -0.71 2.04 -0.13 1.61 0.41 -0.22 -4.98 118.70 116.73 1qk3 s GLU 70 Ca 0.00 -1.39 -0.29 0.00 -0.41 0.00 0.00 54.97 52.88 1qk3 s GLU 70 Cb 0.00 -2.09 -0.01 0.00 -1.78 0.00 0.00 34.13 30.25 1qk3 s GLU 70 CO 0.00 0.40 1.01 -2.00 -0.49 0.00 0.00 175.26 174.18 1qk3 s GLU 71 N -3.14 4.39 -0.09 1.61 2.12 -1.26 -4.82 118.70 117.51 1qk3 s GLU 71 Ca 0.27 1.39 0.03 0.00 0.36 0.00 0.00 54.97 57.02 1qk3 s GLU 71 Cb -0.08 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.74 1qk3 s GLU 71 CO 0.16 -0.37 -0.19 -1.17 -0.54 0.00 0.00 175.26 173.15 1qk3 s LEU 72 N 2.24 2.41 -0.28 2.70 2.96 -1.26 -4.30 118.68 123.14 1qk3 s LEU 72 Ca 0.48 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.93 1qk3 s LEU 72 Cb -0.18 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.04 1qk3 s LEU 72 CO 0.16 0.21 0.04 -1.00 -1.32 0.00 0.00 176.35 174.44 1qk3 s HIS 73 N 0.04 3.14 -0.32 5.38 3.76 -0.49 -1.31 115.29 125.49 1qk3 s HIS 73 Ca -0.07 -1.19 -0.10 0.00 -0.15 0.00 0.00 55.06 53.55 1qk3 s HIS 73 Cb -0.15 -2.20 -0.01 0.00 1.11 0.00 0.00 32.58 31.33 1qk3 s HIS 73 CO 0.05 -0.63 0.17 0.42 -0.85 0.00 0.00 174.74 173.90 1qk3 s ILE 74 N 1.44 4.77 -0.31 0.60 1.01 0.21 -1.45 121.20 127.46 1qk3 s ILE 74 Ca 0.01 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.13 1qk3 s ILE 74 Cb -0.17 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 38.84 1qk3 s ILE 74 CO 0.00 0.04 0.42 -0.63 0.00 0.00 0.00 174.94 174.78 1qk3 s ILE 75 N 1.64 5.12 -0.33 2.92 1.01 0.10 -1.05 121.20 130.61 1qk3 s ILE 75 Ca 0.05 0.38 -0.11 0.00 0.00 0.00 0.00 60.65 60.97 1qk3 s ILE 75 Cb -0.17 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1qk3 s ILE 75 CO 0.07 -0.03 0.20 0.00 0.00 0.00 0.00 174.94 175.18 1qk3 n ILE 77 N 5.04 0.72 -1.67 0.00 5.41 -1.09 -1.69 119.36 126.08 1qk3 n ILE 77 Ca -0.13 -0.13 -0.45 0.00 1.00 0.00 0.00 62.75 63.04 1qk3 n ILE 77 Cb 0.49 -2.30 -0.04 0.00 -0.71 0.00 0.00 39.64 37.09 1qk3 n ILE 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1qk3 n LEU 78 N 7.29 3.86 -4.50 1.39 7.94 -0.42 -4.90 117.00 127.66 1qk3 n LEU 78 Ca 0.20 0.94 -0.25 0.00 -1.11 0.00 0.00 56.01 55.79 1qk3 n LEU 78 Cb 0.40 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 42.81 1qk3 n LEU 78 CO 0.68 0.09 -0.20 -0.54 -1.11 0.00 0.00 177.39 176.31 1qk3 s LYS 79 N 4.23 1.88 0.00 1.96 -0.14 -1.26 -5.04 119.74 121.36 1qk3 s LYS 79 Ca 0.90 -2.13 0.00 0.00 -1.36 0.00 0.00 55.97 53.38 1qk3 s LYS 79 Cb -0.55 -0.62 0.00 0.00 -1.68 0.00 0.00 37.83 34.99 1qk3 s LYS 79 CO 0.46 -0.44 0.00 0.41 -0.76 0.00 0.00 175.35 175.02 1qk3 n GLY 80 N -0.87 -0.42 0.33 -3.33 0.00 -1.26 -4.86 105.19 94.78 1qk3 n GLY 80 Ca -0.05 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.34 1qk3 n GLY 80 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qk3 h SER 81 N 0.00 0.33 -0.02 1.61 4.64 -2.02 -1.22 113.55 116.87 1qk3 h SER 81 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qk3 h SER 81 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1qk3 h SER 81 CO 0.00 0.22 0.00 0.54 -0.87 0.00 0.00 176.83 176.72 1qk3 n ARG 82 N -4.48 1.43 -1.49 4.77 1.74 -1.26 -4.86 116.66 112.52 1qk3 n ARG 82 Ca 0.06 -0.62 -0.34 0.00 -0.77 0.00 0.00 57.85 56.18 1qk3 n ARG 82 Cb 0.25 -1.48 0.08 0.00 -1.02 0.00 0.00 32.46 30.29 1qk3 n ARG 82 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1qk3 s GLY 83 N -1.98 2.24 0.35 -0.13 0.00 -0.46 -3.70 107.32 103.63 1qk3 s GLY 83 Ca 0.41 0.75 0.06 0.00 0.00 0.00 0.00 44.72 45.94 1qk3 s GLY 83 CO 0.34 1.14 1.92 -2.75 0.00 0.00 0.00 173.10 173.75 1qk3 h PHE 84 N -0.30 0.83 0.00 1.90 3.57 -1.90 -2.41 116.94 118.64 1qk3 h PHE 84 Ca -0.47 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.03 1qk3 h PHE 84 Cb 1.28 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.74 1qk3 h PHE 84 CO 0.50 0.40 -0.11 0.27 -2.23 0.00 0.00 178.31 177.14 1qk3 h PHE 85 N 0.78 0.00 -0.45 0.41 -5.15 -1.92 -1.88 116.94 108.74 1qk3 h PHE 85 Ca 0.37 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 58.03 1qk3 h PHE 85 Cb 0.39 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.55 1qk3 h PHE 85 CO -0.00 0.11 -0.15 -0.91 -2.00 0.00 0.00 178.31 175.36 1qk3 h ASN 86 N 0.00 0.91 -0.26 -0.68 2.35 -1.76 -1.09 115.58 115.05 1qk3 h ASN 86 Ca -0.00 -0.38 -0.17 0.00 -0.55 0.00 0.00 56.30 55.20 1qk3 h ASN 86 Cb 0.20 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1qk3 h ASN 86 CO 0.01 1.08 -0.49 0.25 -1.65 0.00 0.00 177.43 176.63 1qk3 h LEU 87 N 0.74 0.93 -0.39 1.61 5.85 -1.52 -1.79 115.31 120.73 1qk3 h LEU 87 Ca 0.11 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1qk3 h LEU 87 Cb 0.70 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1qk3 h LEU 87 CO 0.05 1.26 0.22 0.25 -0.34 0.00 0.00 178.44 179.88 1qk3 h LEU 88 N 0.66 0.49 -0.93 2.25 5.85 -1.26 -2.42 115.31 119.96 1qk3 h LEU 88 Ca 0.03 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1qk3 h LEU 88 Cb 1.09 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 1qk3 h LEU 88 CO 0.11 0.42 0.55 0.40 -0.34 0.00 0.00 178.44 179.59 1qk3 h ILE 89 N 0.51 1.26 -0.41 4.05 1.08 -1.16 -0.81 117.51 122.03 1qk3 h ILE 89 Ca 0.14 -0.58 0.06 0.00 -0.39 0.00 0.00 64.86 64.09 1qk3 h ILE 89 Cb 0.04 -0.05 -0.05 0.00 -3.07 0.00 0.00 36.82 33.69 1qk3 h ILE 89 CO -0.02 0.27 0.11 0.44 -0.69 0.00 0.00 178.15 178.26 1qk3 h ASP 90 N 1.29 0.08 -0.40 1.72 3.32 -0.98 0.12 116.42 121.56 1qk3 h ASP 90 Ca 0.33 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.33 1qk3 h ASP 90 Cb -0.04 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1qk3 h ASP 90 CO -0.06 0.08 -0.16 1.88 -1.72 0.00 0.00 179.24 179.25 1qk3 h TYR 91 N 0.26 0.94 -0.43 4.55 -1.99 -1.12 -1.56 116.97 117.62 1qk3 h TYR 91 Ca 0.19 -0.22 -0.05 0.00 2.00 0.00 0.00 58.73 60.65 1qk3 h TYR 91 Cb 0.21 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.70 1qk3 h TYR 91 CO -0.18 0.98 0.07 -0.07 -0.00 0.00 0.00 178.16 178.96 1qk3 h LEU 92 N 0.63 0.60 -0.63 3.88 3.38 -0.86 -1.38 115.31 120.93 1qk3 h LEU 92 Ca 0.09 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 1qk3 h LEU 92 Cb 0.71 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1qk3 h LEU 92 CO 0.05 0.63 -0.30 0.00 0.09 0.00 0.00 178.44 178.91 1qk3 h ALA 93 N 1.45 0.81 -0.47 1.53 0.00 -0.57 -1.50 119.26 120.52 1qk3 h ALA 93 Ca 0.14 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1qk3 h ALA 93 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1qk3 h ALA 93 CO 0.00 0.64 -0.09 1.15 0.00 0.00 0.00 179.25 180.95 1qk3 h THR 94 N 0.63 1.27 -0.55 0.00 2.02 -0.83 -1.50 112.91 113.95 1qk3 h THR 94 Ca 0.07 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 66.03 1qk3 h THR 94 Cb 0.83 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1qk3 h THR 94 CO 0.07 0.42 0.28 0.40 0.37 0.00 0.00 175.52 177.05 1qk3 h ILE 95 N 0.73 1.20 -0.88 3.11 2.04 -1.20 -2.58 117.51 119.93 1qk3 h ILE 95 Ca 0.12 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 1qk3 h ILE 95 Cb 0.63 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1qk3 h ILE 95 CO 0.04 0.22 0.45 -0.61 0.00 0.00 0.00 178.15 178.25 1qk3 h GLN 96 N 0.75 1.24 0.00 2.37 4.15 -1.13 -2.43 115.11 120.06 1qk3 h GLN 96 Ca 0.19 -0.17 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 1qk3 h GLN 96 Cb 0.10 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1qk3 h GLN 96 CO -0.03 0.93 -0.28 -0.22 -1.93 0.00 0.00 178.83 177.31 1qk3 h LYS 97 N 1.24 0.00 -0.33 1.69 3.64 -1.01 -3.00 116.57 118.81 1qk3 h LYS 97 Ca 0.30 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 1qk3 h LYS 97 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1qk3 h LYS 97 CO -0.04 0.28 0.00 0.66 -2.27 0.00 0.00 179.45 178.07 1qk3 n TYR 98 N -4.05 0.99 -3.11 1.91 0.53 -1.00 -4.73 117.16 107.70 1qk3 n TYR 98 Ca -0.02 -0.78 -0.39 0.00 -1.02 0.00 0.00 57.90 55.69 1qk3 n TYR 98 Cb 0.34 -0.28 -0.01 0.00 -1.03 0.00 0.00 39.34 38.36 1qk3 n TYR 98 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 1qk3 n SER 99 N -0.13 5.75 -0.14 7.72 7.64 -0.95 -4.91 113.62 128.61 1qk3 n SER 99 Ca 0.20 -3.43 0.17 0.00 1.01 0.00 0.00 58.87 56.82 1qk3 n SER 99 Cb 0.84 -1.11 0.54 0.00 -1.01 0.00 0.00 64.21 63.47 1qk3 n SER 99 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1qk3 h GLY 100 N 5.07 0.57 2.00 0.23 0.00 -1.85 -1.46 103.07 107.63 1qk3 h GLY 100 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.39 1qk3 h GLY 100 CO 1.21 0.05 0.00 0.07 0.00 0.00 0.00 176.54 177.86 1qk3 h ARG 101 N 0.33 0.00 -0.63 4.80 -0.00 -1.99 -2.98 114.38 113.91 1qk3 h ARG 101 Ca 0.35 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 60.14 1qk3 h ARG 101 Cb 0.90 0.00 -0.11 0.00 -0.00 0.00 0.00 29.97 30.76 1qk3 h ARG 101 CO -0.10 0.00 0.20 0.39 -0.00 0.00 0.00 179.97 180.47 1qk3 n GLU 102 N -2.46 3.33 0.30 0.08 1.02 -0.55 -4.67 120.64 117.69 1qk3 n GLU 102 Ca 0.02 -3.07 0.20 0.00 -0.02 0.00 0.00 57.16 54.29 1qk3 n GLU 102 Cb 0.26 -2.11 0.94 0.00 -0.02 0.00 0.00 31.44 30.51 1qk3 n GLU 102 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1qk3 h SER 103 N 2.28 0.00 0.86 1.62 4.64 -1.64 -2.11 113.55 119.19 1qk3 h SER 103 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1qk3 h SER 103 Cb 2.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.23 1qk3 h SER 103 CO 0.63 0.00 -0.08 -1.54 -0.87 0.00 0.00 176.83 174.98 1qk3 n SER 104 N -3.04 0.09 -4.77 4.97 3.41 -1.26 -4.80 113.62 108.23 1qk3 n SER 104 Ca -0.01 0.28 -0.38 0.00 -0.26 0.00 0.00 58.87 58.50 1qk3 n SER 104 Cb 0.18 -0.35 -0.06 0.00 -0.26 0.00 0.00 64.21 63.72 1qk3 n SER 104 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1qk3 s VAL 105 N -2.94 5.02 0.26 -3.33 1.01 -0.80 -5.02 120.40 114.61 1qk3 s VAL 105 Ca 0.16 1.07 -0.31 0.00 0.00 0.00 0.00 61.98 62.89 1qk3 s VAL 105 Cb 0.19 -3.85 -0.13 0.00 0.00 0.00 0.00 36.38 32.60 1qk3 s VAL 105 CO 0.55 0.42 1.51 -2.65 0.00 0.00 0.00 175.10 174.94 1qk3 n PRO 106 N 2.82 2.37 -1.01 2.72 -0.02 -1.26 -4.95 135.00 135.66 1qk3 n PRO 106 Ca -0.08 0.84 -0.32 0.00 -2.02 0.00 0.00 63.50 61.92 1qk3 n PRO 106 Cb 0.51 -2.57 0.13 0.00 -0.02 0.00 0.00 33.50 31.55 1qk3 n PRO 106 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1qk3 s PRO 107 N -0.30 1.57 0.84 0.52 0.04 -1.26 -4.69 135.00 131.71 1qk3 s PRO 107 Ca 0.67 1.54 -0.12 0.00 0.04 0.00 0.00 61.00 63.13 1qk3 s PRO 107 Cb -0.58 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 32.27 1qk3 s PRO 107 CO 0.48 -2.22 1.19 -0.59 0.04 0.00 0.00 177.00 175.89 1qk3 s PHE 108 N -2.50 1.75 -0.13 0.56 -0.12 -1.26 -4.77 117.98 111.51 1qk3 s PHE 108 Ca 0.68 1.71 -0.01 0.00 -0.05 0.00 0.00 56.93 59.26 1qk3 s PHE 108 Cb -0.24 -3.45 -0.02 0.00 -0.63 0.00 0.00 43.02 38.69 1qk3 s PHE 108 CO 0.54 -2.85 -0.11 -0.06 -0.05 0.00 0.00 175.22 172.69 1qk3 s PHE 109 N -2.29 2.85 -0.22 3.49 0.40 -0.43 -5.03 117.98 116.75 1qk3 s PHE 109 Ca 0.71 -0.56 -0.10 0.00 -0.60 0.00 0.00 56.93 56.38 1qk3 s PHE 109 Cb -0.27 -1.86 -0.05 0.00 0.51 0.00 0.00 43.02 41.35 1qk3 s PHE 109 CO 0.53 -0.16 0.14 -2.00 0.70 0.00 0.00 175.22 174.42 1qk3 s GLU 110 N 0.31 4.09 0.09 0.44 2.12 -1.26 -0.62 118.70 123.87 1qk3 s GLU 110 Ca -0.09 -0.26 0.08 0.00 0.36 0.00 0.00 54.97 55.06 1qk3 s GLU 110 Cb -0.15 -3.47 -0.03 0.00 0.26 0.00 0.00 34.13 30.73 1qk3 s GLU 110 CO 0.05 0.15 -0.21 -1.01 -0.54 0.00 0.00 175.26 173.70 1qk3 s HIS 111 N 0.79 1.83 -0.12 5.30 3.76 -0.21 -4.95 115.29 121.69 1qk3 s HIS 111 Ca 0.07 -0.41 0.02 0.00 -0.15 0.00 0.00 55.06 54.60 1qk3 s HIS 111 Cb -0.13 -1.02 -0.01 0.00 1.11 0.00 0.00 32.58 32.54 1qk3 s HIS 111 CO 0.02 0.19 -0.19 0.71 -0.85 0.00 0.00 174.74 174.62 1qk3 s TYR 112 N -1.08 2.69 0.10 1.40 1.51 -1.26 -0.08 117.35 120.63 1qk3 s TYR 112 Ca 0.07 -0.91 0.08 0.00 -1.01 0.00 0.00 57.07 55.30 1qk3 s TYR 112 Cb -0.10 -1.79 -0.03 0.00 -0.11 0.00 0.00 41.96 39.93 1qk3 s TYR 112 CO 0.04 -0.36 -0.21 0.08 -1.11 0.00 0.00 175.55 173.99 1qk3 s VAL 113 N 0.43 1.72 0.13 0.71 1.01 -0.68 -0.24 120.40 123.47 1qk3 s VAL 113 Ca -0.14 -1.55 0.10 0.00 0.00 0.00 0.00 61.98 60.39 1qk3 s VAL 113 Cb -0.17 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1qk3 s VAL 113 CO 0.06 -0.06 -0.21 -0.13 0.00 0.00 0.00 175.10 174.77 1qk3 s ARG 114 N -1.91 1.67 0.00 2.72 1.81 -0.50 -1.30 118.95 121.44 1qk3 s ARG 114 Ca 0.07 -1.25 0.27 0.00 -1.72 0.00 0.00 55.73 53.09 1qk3 s ARG 114 Cb -0.10 -2.04 0.80 0.00 -0.45 0.00 0.00 34.95 33.16 1qk3 s ARG 114 CO 0.04 0.47 1.60 1.28 -0.68 0.00 0.00 175.30 178.01 1qk3 n LEU 115 N 0.78 1.49 -4.41 2.53 4.77 -1.26 -4.48 117.00 116.41 1qk3 n LEU 115 Ca -0.16 -0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 55.13 1qk3 n LEU 115 Cb 0.53 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1qk3 n LEU 115 CO 0.27 0.26 -0.46 -0.54 -1.33 0.00 0.00 177.39 175.58 1qk3 s LYS 116 N -2.21 1.52 -0.13 3.23 -0.14 -1.26 -5.09 119.74 115.66 1qk3 s LYS 116 Ca 0.31 -1.68 -0.32 0.00 -1.36 0.00 0.00 55.97 52.92 1qk3 s LYS 116 Cb 0.20 -1.49 -0.10 0.00 -1.68 0.00 0.00 37.83 34.76 1qk3 s LYS 116 CO 0.41 0.27 2.02 0.43 -0.76 0.00 0.00 175.35 177.72 1qk3 n SER 117 N -0.48 3.39 -4.45 2.83 7.64 -1.26 -4.88 113.62 116.41 1qk3 n SER 117 Ca -0.07 0.72 -0.41 0.00 1.01 0.00 0.00 58.87 60.12 1qk3 n SER 117 Cb 0.60 -1.43 -0.11 0.00 -1.01 0.00 0.00 64.21 62.27 1qk3 n SER 117 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1qk3 s TYR 118 N 5.49 3.23 0.28 1.43 5.04 -1.26 -5.09 117.35 126.47 1qk3 s TYR 118 Ca 0.96 -0.59 -0.12 0.00 -2.44 0.00 0.00 57.07 54.88 1qk3 s TYR 118 Cb -0.59 -2.50 -0.08 0.00 0.35 0.00 0.00 41.96 39.15 1qk3 s TYR 118 CO 0.46 -0.53 0.64 -0.65 -1.34 0.00 0.00 175.55 174.13 1qk3 s GLN 119 N 1.65 3.90 0.28 4.97 -1.52 -1.26 -4.87 119.66 122.81 1qk3 s GLN 119 Ca 0.04 0.47 -0.06 0.00 -1.95 0.00 0.00 55.36 53.86 1qk3 s GLN 119 Cb -0.18 -2.54 -0.01 0.00 -0.22 0.00 0.00 33.01 30.06 1qk3 s GLN 119 CO 0.09 0.24 0.41 1.21 -0.25 0.00 0.00 175.29 176.98 1qk3 s ASN 120 N -2.32 0.42 -0.10 5.90 3.84 -1.26 -5.08 114.94 116.33 1qk3 s ASN 120 Ca 0.51 -1.27 0.01 0.00 0.21 0.00 0.00 52.86 52.32 1qk3 s ASN 120 Cb -0.11 0.58 0.02 0.00 -0.55 0.00 0.00 41.25 41.19 1qk3 s ASN 120 CO 0.19 -1.15 -0.13 -1.81 -2.79 0.00 0.00 177.10 171.41 1qk3 s ASP 121 N -3.15 2.22 0.39 -4.21 1.01 -1.26 -5.12 116.67 106.55 1qk3 s ASP 121 Ca 0.29 -0.37 -0.27 0.00 0.71 0.00 0.00 52.55 52.91 1qk3 s ASP 121 Cb 0.01 -0.97 -0.10 0.00 1.01 0.00 0.00 42.92 42.86 1qk3 s ASP 121 CO 0.15 -0.01 1.43 0.20 0.21 0.00 0.00 175.17 177.15 1qk3 s ASN 122 N 1.07 6.32 -1.32 0.27 0.01 -1.26 -3.12 114.94 116.92 1qk3 s ASN 122 Ca -0.06 2.94 0.00 0.00 -0.71 0.00 0.00 52.86 55.03 1qk3 s ASN 122 Cb -0.15 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 38.85 1qk3 s ASN 122 CO -0.02 -0.87 0.00 -1.20 -1.51 0.00 0.00 177.10 173.50 1qk3 n SER 123 N 0.37 -4.37 -1.44 -1.22 7.64 -1.26 -4.84 113.62 108.49 1qk3 n SER 123 Ca 0.02 0.18 0.09 0.00 1.01 0.00 0.00 58.87 60.16 1qk3 n SER 123 Cb 0.40 -3.74 0.32 0.00 -1.01 0.00 0.00 64.21 60.18 1qk3 n SER 123 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1qk3 n THR 124 N -3.29 1.57 -1.14 0.44 -2.24 -1.18 -4.93 114.28 103.50 1qk3 n THR 124 Ca -0.17 -1.04 -0.05 0.00 -2.27 0.00 0.00 64.05 60.53 1qk3 n THR 124 Cb 0.61 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 1qk3 n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qk3 n GLY 125 N 1.11 0.61 3.88 3.38 0.00 -1.26 -5.01 105.19 107.89 1qk3 n GLY 125 Ca 0.23 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1qk3 n GLY 125 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qk3 s GLN 126 N -1.94 2.07 0.20 1.61 -0.21 -1.26 -4.98 119.66 115.15 1qk3 s GLN 126 Ca 0.00 0.24 -0.31 0.00 0.02 0.00 0.00 55.36 55.31 1qk3 s GLN 126 Cb 0.00 -1.95 -0.10 0.00 1.00 0.00 0.00 33.01 31.96 1qk3 s GLN 126 CO 0.00 -1.55 1.46 -1.17 -2.12 0.00 0.00 175.29 171.92 1qk3 s LEU 127 N -5.59 4.38 -0.48 2.90 2.96 -1.26 -4.93 118.68 116.66 1qk3 s LEU 127 Ca 0.61 2.59 -0.29 0.00 -0.22 0.00 0.00 54.13 56.82 1qk3 s LEU 127 Cb -0.12 -3.61 0.02 0.00 0.50 0.00 0.00 46.19 42.99 1qk3 s LEU 127 CO 0.50 -0.72 1.26 -0.89 -1.32 0.00 0.00 176.35 175.19 1qk3 s THR 128 N 0.51 4.04 -0.15 3.68 2.01 -1.26 -4.99 115.64 119.48 1qk3 s THR 128 Ca 0.63 1.02 0.01 0.00 0.31 0.00 0.00 61.69 63.66 1qk3 s THR 128 Cb -0.41 -4.48 0.00 0.00 0.01 0.00 0.00 72.50 67.62 1qk3 s THR 128 CO 0.37 -1.00 -0.17 -0.69 -0.69 0.00 0.00 174.62 172.44 1qk3 s VAL 129 N 5.02 2.51 0.37 3.82 1.01 -1.26 -4.44 120.40 127.43 1qk3 s VAL 129 Ca 0.52 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 1qk3 s VAL 129 Cb -0.10 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.19 1qk3 s VAL 129 CO 0.31 0.52 0.67 -0.76 0.00 0.00 0.00 175.10 175.84 1qk3 s LEU 130 N 0.78 3.90 0.00 3.92 1.43 0.66 -4.89 118.68 124.48 1qk3 s LEU 130 Ca -0.06 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1qk3 s LEU 130 Cb -0.15 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.33 1qk3 s LEU 130 CO 0.00 -0.34 0.00 -1.54 0.23 0.00 0.00 176.35 174.70 1qk3 n SER 131 N -1.35 0.00 0.02 2.29 3.41 -1.26 -1.41 113.62 115.32 1qk3 n SER 131 Ca -0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1qk3 n SER 131 Cb 0.54 0.07 0.06 0.00 -0.26 0.00 0.00 64.21 64.62 1qk3 n SER 131 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qk3 h ASP 132 N 0.00 0.56 -3.62 4.04 3.32 -1.90 -3.42 116.42 115.41 1qk3 h ASP 132 Ca 0.00 -0.31 -0.69 0.00 0.02 0.00 0.00 57.03 56.05 1qk3 h ASP 132 Cb 0.00 -0.16 -0.25 0.00 0.22 0.00 0.00 39.33 39.14 1qk3 h ASP 132 CO 0.00 1.01 -0.56 -0.62 -1.72 0.00 0.00 179.24 177.35 1qk3 s ASP 133 N -6.92 5.52 -0.09 6.45 2.15 -1.26 -4.93 116.67 117.59 1qk3 s ASP 133 Ca -0.07 -0.84 0.14 0.00 0.43 0.00 0.00 52.55 52.21 1qk3 s ASP 133 Cb 0.11 -1.97 0.41 0.00 -0.30 0.00 0.00 42.92 41.17 1qk3 s ASP 133 CO 0.83 -0.29 1.33 0.18 -0.17 0.00 0.00 175.17 177.05 1qk3 n LEU 134 N 4.94 3.37 0.32 -1.34 4.77 -1.26 -4.77 117.00 123.03 1qk3 n LEU 134 Ca -0.13 -2.53 0.20 0.00 -0.03 0.00 0.00 56.01 53.52 1qk3 n LEU 134 Cb 0.47 -0.38 1.11 0.00 -2.33 0.00 0.00 43.42 42.28 1qk3 n LEU 134 CO 0.34 0.70 1.16 0.77 -1.33 0.00 0.00 177.39 179.03 1qk3 h SER 135 N 1.81 0.00 0.41 -1.43 4.64 -1.96 -2.44 113.55 114.59 1qk3 h SER 135 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qk3 h SER 135 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1qk3 h SER 135 CO 0.11 0.00 0.00 0.16 -0.87 0.00 0.00 176.83 176.23 1qk3 h ILE 136 N 0.00 0.00 -0.01 0.95 3.07 -1.98 -2.70 117.51 116.84 1qk3 h ILE 136 Ca -0.00 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1qk3 h ILE 136 Cb 0.00 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 37.51 1qk3 h ILE 136 CO 0.00 0.00 -0.04 0.49 -1.05 0.00 0.00 178.15 177.55 1qk3 n PHE 137 N -2.64 0.00 -1.68 0.16 3.01 -0.92 -4.86 117.46 110.53 1qk3 n PHE 137 Ca -0.01 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.00 1qk3 n PHE 137 Cb 0.15 -0.06 -0.04 0.00 -0.01 0.00 0.00 39.48 39.52 1qk3 n PHE 137 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1qk3 n ARG 138 N -0.62 2.35 -2.29 -1.08 0.63 -1.02 -1.78 116.66 112.86 1qk3 n ARG 138 Ca 0.19 0.85 -0.19 0.00 -0.92 0.00 0.00 57.85 57.78 1qk3 n ARG 138 Cb 0.25 -2.67 -0.02 0.00 0.45 0.00 0.00 32.46 30.47 1qk3 n ARG 138 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1qk3 n ASP 139 N 4.57 -5.44 -4.63 6.15 2.03 -0.57 -4.89 116.55 113.77 1qk3 n ASP 139 Ca 0.18 0.03 -0.25 0.00 0.52 0.00 0.00 54.79 55.27 1qk3 n ASP 139 Cb 0.31 -4.50 -0.08 0.00 -0.72 0.00 0.00 41.12 36.14 1qk3 n ASP 139 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1qk3 s LYS 140 N -4.82 2.27 -0.23 -0.67 -0.14 -0.73 -4.39 119.74 111.03 1qk3 s LYS 140 Ca 0.00 -1.30 -0.26 0.00 -1.36 0.00 0.00 55.97 53.05 1qk3 s LYS 140 Cb 0.00 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.93 1qk3 s LYS 140 CO 0.00 0.41 0.91 -1.01 -0.76 0.00 0.00 175.35 174.90 1qk3 s HIS 141 N -2.02 3.33 -0.06 3.18 3.76 -1.26 -1.20 115.29 121.02 1qk3 s HIS 141 Ca 0.29 1.27 0.06 0.00 -0.15 0.00 0.00 55.06 56.53 1qk3 s HIS 141 Cb -0.08 -3.13 -0.01 0.00 1.11 0.00 0.00 32.58 30.47 1qk3 s HIS 141 CO 0.18 -0.42 -0.24 0.08 -0.85 0.00 0.00 174.74 173.49 1qk3 s VAL 142 N 2.93 2.12 -0.24 -0.90 1.01 -0.63 -1.39 120.40 123.29 1qk3 s VAL 142 Ca 0.39 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1qk3 s VAL 142 Cb -0.15 -1.77 0.05 0.00 0.00 0.00 0.00 36.38 34.51 1qk3 s VAL 142 CO 0.07 0.57 -0.13 -0.22 0.00 0.00 0.00 175.10 175.39 1qk3 s LEU 143 N -0.17 3.05 -0.16 3.92 2.96 -0.53 -1.52 118.68 126.24 1qk3 s LEU 143 Ca -0.03 -1.16 -0.22 0.00 -0.22 0.00 0.00 54.13 52.50 1qk3 s LEU 143 Cb -0.14 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1qk3 s LEU 143 CO 0.04 -0.13 0.65 -0.63 -1.32 0.00 0.00 176.35 174.95 1qk3 s ILE 144 N 1.16 5.03 -0.20 6.68 1.01 0.49 0.02 121.20 135.40 1qk3 s ILE 144 Ca -0.05 1.26 -0.04 0.00 0.00 0.00 0.00 60.65 61.83 1qk3 s ILE 144 Cb -0.18 -3.97 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 1qk3 s ILE 144 CO -0.07 0.15 -0.03 0.54 0.00 0.00 0.00 174.94 175.52 1qk3 s VAL 145 N 1.59 3.65 -0.00 2.92 0.11 0.02 -0.71 120.40 127.98 1qk3 s VAL 145 Ca 0.31 -0.42 0.03 0.00 -2.93 0.00 0.00 61.98 58.97 1qk3 s VAL 145 Cb -0.16 -2.64 -0.01 0.00 -1.53 0.00 0.00 36.38 32.04 1qk3 s VAL 145 CO 0.12 0.44 -0.08 -0.70 -3.33 0.00 0.00 175.10 171.55 1qk3 s GLU 146 N 1.04 0.65 0.17 1.54 2.56 -0.59 -2.67 118.70 121.40 1qk3 s GLU 146 Ca 0.01 -0.31 -0.14 0.00 0.00 0.00 0.00 54.97 54.53 1qk3 s GLU 146 Cb -0.15 -0.63 0.12 0.00 2.00 0.00 0.00 34.13 35.47 1qk3 s GLU 146 CO 0.01 0.17 1.77 -0.44 -0.56 0.00 0.00 175.26 176.20 1qk3 h ASP 147 N 5.89 0.25 -4.34 -1.70 3.32 -1.93 -3.27 116.42 114.64 1qk3 h ASP 147 Ca -0.30 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.70 1qk3 h ASP 147 Cb 1.18 -0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.52 1qk3 h ASP 147 CO 0.49 0.18 -0.05 -0.51 -1.72 0.00 0.00 179.24 177.64 1qk3 s ILE 148 N -6.14 0.01 -0.36 0.35 2.07 -1.26 -3.11 121.20 112.76 1qk3 s ILE 148 Ca -0.13 -0.08 -0.10 0.00 -1.41 0.00 0.00 60.65 58.94 1qk3 s ILE 148 Cb 0.13 -0.80 0.03 0.00 0.13 0.00 0.00 42.46 41.96 1qk3 s ILE 148 CO 0.73 -0.04 0.17 -0.69 -1.91 0.00 0.00 174.94 173.20 1qk3 s VAL 149 N -0.29 4.33 0.00 4.00 1.01 0.12 -4.89 120.40 124.68 1qk3 s VAL 149 Ca -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1qk3 s VAL 149 Cb -0.03 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.92 1qk3 s VAL 149 CO 0.03 -0.21 0.00 -0.67 0.00 0.00 0.00 175.10 174.25 1qk3 n ASP 150 N 4.94 0.00 0.01 3.32 -0.08 -1.26 -1.77 116.55 121.71 1qk3 n ASP 150 Ca -0.12 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.11 1qk3 n ASP 150 Cb 0.46 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.80 1qk3 n ASP 150 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1qk3 h THR 151 N 0.00 0.78 0.00 5.18 1.35 -1.96 -3.44 112.91 114.82 1qk3 h THR 151 Ca 0.00 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.36 1qk3 h THR 151 Cb 0.00 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1qk3 h THR 151 CO 0.00 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1qk3 n GLY 152 N 1.48 0.45 0.34 5.82 0.00 -1.26 -4.46 105.19 107.56 1qk3 n GLY 152 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1qk3 n GLY 152 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1qk3 h PHE 153 N 0.00 0.63 -0.80 1.61 0.05 -1.99 -0.89 116.94 115.55 1qk3 h PHE 153 Ca 0.00 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.80 1qk3 h PHE 153 Cb 0.15 -0.21 -0.04 0.00 2.00 0.00 0.00 35.95 37.85 1qk3 h PHE 153 CO 0.10 0.35 0.46 1.79 -0.18 0.00 0.00 178.31 180.83 1qk3 h THR 154 N 0.64 1.23 -0.01 -1.55 1.35 -2.00 -1.67 112.91 110.90 1qk3 h THR 154 Ca 0.26 -0.54 -0.15 0.00 -0.55 0.00 0.00 66.41 65.43 1qk3 h THR 154 Cb 0.21 0.14 -0.02 0.00 -1.73 0.00 0.00 68.15 66.75 1qk3 h THR 154 CO -0.08 0.25 -0.68 -0.07 -0.25 0.00 0.00 175.52 174.70 1qk3 h LEU 155 N 1.10 0.06 -0.09 3.87 3.38 -1.74 -1.97 115.31 119.92 1qk3 h LEU 155 Ca 0.28 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1qk3 h LEU 155 Cb -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1qk3 h LEU 155 CO -0.05 0.72 -0.04 0.74 0.09 0.00 0.00 178.44 179.90 1qk3 h THR 156 N 0.03 1.32 -0.36 0.22 2.02 -1.00 -0.76 112.91 114.38 1qk3 h THR 156 Ca -0.01 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 1qk3 h THR 156 Cb 1.20 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 69.42 1qk3 h THR 156 CO 0.09 0.29 0.16 -0.33 0.37 0.00 0.00 175.52 176.10 1qk3 h GLU 157 N -0.18 0.53 -0.66 6.66 5.08 -1.33 -2.12 114.58 122.56 1qk3 h GLU 157 Ca 0.02 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 1qk3 h GLU 157 Cb 0.47 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1qk3 h GLU 157 CO 0.01 0.50 0.16 0.35 -1.00 0.00 0.00 179.01 179.03 1qk3 h PHE 158 N 0.44 1.09 -0.81 4.33 3.57 -1.42 -2.75 116.94 121.39 1qk3 h PHE 158 Ca 0.12 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1qk3 h PHE 158 Cb 0.15 -0.31 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1qk3 h PHE 158 CO -0.01 0.89 0.49 0.78 -2.23 0.00 0.00 178.31 178.23 1qk3 h GLY 159 N 1.06 1.18 1.57 2.40 0.00 -0.90 -0.73 103.07 107.65 1qk3 h GLY 159 Ca 0.21 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 1qk3 h GLY 159 CO 0.00 0.47 -0.20 0.83 0.00 0.00 0.00 176.54 177.64 1qk3 h GLU 160 N 1.12 0.51 -0.27 4.80 4.39 -1.11 -0.29 114.58 123.73 1qk3 h GLU 160 Ca 0.29 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 1qk3 h GLU 160 Cb -0.04 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 1qk3 h GLU 160 CO -0.05 0.68 -0.29 0.00 -1.16 0.00 0.00 179.01 178.19 1qk3 h ARG 161 N 0.46 0.67 -0.78 2.33 3.08 -1.11 -3.08 114.38 115.95 1qk3 h ARG 161 Ca 0.07 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 59.72 1qk3 h ARG 161 Cb 0.60 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1qk3 h ARG 161 CO 0.04 0.97 0.31 1.25 -1.07 0.00 0.00 179.97 181.48 1qk3 h LEU 162 N 0.40 1.06 -1.47 3.04 5.85 -0.84 -2.71 115.31 120.64 1qk3 h LEU 162 Ca 0.04 -0.16 0.12 0.00 0.84 0.00 0.00 57.88 58.72 1qk3 h LEU 162 Cb 0.86 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1qk3 h LEU 162 CO 0.07 0.94 0.49 0.11 -0.34 0.00 0.00 178.44 179.71 1qk3 h LYS 163 N 1.13 0.55 0.00 1.25 1.57 -0.97 -1.91 116.57 118.18 1qk3 h LYS 163 Ca 0.26 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 1qk3 h LYS 163 Cb 0.21 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1qk3 h LYS 163 CO -0.02 0.36 0.00 0.00 -0.57 0.00 0.00 179.45 179.22 1qk3 n ALA 164 N -2.48 1.18 1.10 3.86 0.00 -1.02 -1.57 120.51 121.58 1qk3 n ALA 164 Ca 0.13 0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.87 1qk3 n ALA 164 Cb 0.41 -1.33 0.16 0.00 0.00 0.00 0.00 19.45 18.69 1qk3 n ALA 164 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1qk3 n VAL 165 N -2.26 0.00 -2.53 0.00 0.24 -0.72 -5.01 118.33 108.05 1qk3 n VAL 165 Ca -0.01 -0.17 -0.08 0.00 -2.04 0.00 0.00 64.34 62.04 1qk3 n VAL 165 Cb 0.08 0.81 0.04 0.00 -1.47 0.00 0.00 33.84 33.30 1qk3 n VAL 165 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qk3 n GLY 166 N 1.40 -0.12 3.76 7.63 0.00 -0.61 -4.22 105.19 113.02 1qk3 n GLY 166 Ca 0.10 0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 1qk3 n GLY 166 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qk3 s PRO 167 N -4.06 2.41 0.14 1.61 0.04 -1.26 -1.51 135.00 132.36 1qk3 s PRO 167 Ca 0.16 1.36 -0.08 0.00 0.04 0.00 0.00 61.00 62.48 1qk3 s PRO 167 Cb -0.02 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 1qk3 s PRO 167 CO 0.39 -1.55 1.38 -0.22 0.04 0.00 0.00 177.00 177.04 1qk3 h LYS 168 N -0.56 0.69 -3.03 4.56 3.64 -1.36 -3.43 116.57 117.08 1qk3 h LYS 168 Ca -0.45 -0.52 -0.05 0.00 -1.27 0.00 0.00 60.65 58.36 1qk3 h LYS 168 Cb 1.25 0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 33.02 1qk3 h LYS 168 CO 0.52 1.14 0.02 -1.54 -2.27 0.00 0.00 179.45 177.31 1qk3 s SER 169 N -7.02 -0.38 -0.03 4.20 1.04 -1.14 -4.65 113.70 105.71 1qk3 s SER 169 Ca -0.09 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.31 1qk3 s SER 169 Cb 0.10 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1qk3 s SER 169 CO 0.88 -0.80 0.04 -0.04 0.98 0.00 0.00 173.24 174.30 1qk3 s MET 170 N -3.09 0.02 0.11 4.02 -1.94 -1.26 -1.61 119.30 115.55 1qk3 s MET 170 Ca -0.02 0.25 0.01 0.00 -1.71 0.00 0.00 55.69 54.22 1qk3 s MET 170 Cb 0.00 -0.42 -0.04 0.00 2.01 0.00 0.00 34.83 36.38 1qk3 s MET 170 CO -0.07 -0.24 -0.04 1.03 -0.01 0.00 0.00 175.02 175.70 1qk3 s ARG 171 N 1.56 0.86 -0.03 2.03 0.52 -0.57 -4.63 118.95 118.69 1qk3 s ARG 171 Ca -0.03 -1.37 0.07 0.00 -0.52 0.00 0.00 55.73 53.89 1qk3 s ARG 171 Cb -0.13 -0.11 -0.02 0.00 0.52 0.00 0.00 34.95 35.22 1qk3 s ARG 171 CO -0.03 -0.08 -0.25 0.42 0.02 0.00 0.00 175.30 175.39 1qk3 s ILE 172 N -3.72 1.97 -0.07 1.52 1.01 -1.26 -0.37 121.20 120.27 1qk3 s ILE 172 Ca 0.15 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 59.80 1qk3 s ILE 172 Cb 0.06 -1.64 -0.01 0.00 0.01 0.00 0.00 42.46 40.88 1qk3 s ILE 172 CO -0.03 0.55 -0.24 0.00 0.00 0.00 0.00 174.94 175.22 1qk3 s ALA 173 N -0.42 2.21 -0.02 9.38 0.00 0.11 -0.67 121.76 132.35 1qk3 s ALA 173 Ca 0.05 -1.02 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 1qk3 s ALA 173 Cb -0.11 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1qk3 s ALA 173 CO 0.01 0.38 0.24 -0.08 0.00 0.00 0.00 175.76 176.30 1qk3 s THR 174 N -0.02 0.06 0.19 0.00 -1.32 -0.11 -1.54 115.64 112.89 1qk3 s THR 174 Ca -0.07 -0.48 -0.02 0.00 -1.21 0.00 0.00 61.69 59.90 1qk3 s THR 174 Cb -0.15 -0.51 -0.06 0.00 -1.51 0.00 0.00 72.50 70.27 1qk3 s THR 174 CO 0.05 -0.27 1.50 0.25 -2.21 0.00 0.00 174.62 173.94 1qk3 h LEU 175 N 4.32 0.57 -7.67 9.08 5.85 -1.59 -2.07 115.31 123.80 1qk3 h LEU 175 Ca -0.29 -0.32 -0.24 0.00 0.84 0.00 0.00 57.88 57.87 1qk3 h LEU 175 Cb 1.19 -0.17 -0.29 0.00 0.37 0.00 0.00 40.66 41.76 1qk3 h LEU 175 CO 0.39 1.03 -0.71 -0.69 -0.34 0.00 0.00 178.44 178.13 1qk3 s VAL 176 N -3.92 -0.01 -0.10 1.05 1.01 -1.24 -0.55 120.40 116.64 1qk3 s VAL 176 Ca -0.07 0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.98 1qk3 s VAL 176 Cb 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 36.38 36.46 1qk3 s VAL 176 CO 0.84 0.02 -0.17 -0.70 0.00 0.00 0.00 175.10 175.09 1qk3 s GLU 177 N 0.25 2.35 0.21 2.72 2.12 -0.27 -0.70 118.70 125.38 1qk3 s GLU 177 Ca -0.02 -0.62 -0.24 0.00 0.36 0.00 0.00 54.97 54.45 1qk3 s GLU 177 Cb -0.03 -1.93 -0.08 0.00 0.26 0.00 0.00 34.13 32.35 1qk3 s GLU 177 CO -0.01 -0.00 0.80 0.15 -0.54 0.00 0.00 175.26 175.66 1qk3 s LYS 178 N 0.80 4.50 0.05 4.30 1.02 -0.73 -1.94 119.74 127.75 1qk3 s LYS 178 Ca -0.10 1.13 -0.29 0.00 0.02 0.00 0.00 55.97 56.73 1qk3 s LYS 178 Cb -0.16 -3.08 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 1qk3 s LYS 178 CO 0.01 0.47 0.93 1.03 -0.92 0.00 0.00 175.35 176.87 1qk3 s ARG 179 N -1.53 4.61 0.08 1.68 0.52 0.16 -4.91 118.95 119.56 1qk3 s ARG 179 Ca 0.40 1.36 0.02 0.00 -0.52 0.00 0.00 55.73 56.99 1qk3 s ARG 179 Cb -0.21 -3.41 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1qk3 s ARG 179 CO 0.25 0.12 -0.06 -0.08 0.02 0.00 0.00 175.30 175.54 1qk3 s THR 180 N 0.41 0.61 -1.97 0.02 -1.32 -1.26 -3.97 115.64 108.17 1qk3 s THR 180 Ca 0.47 -1.74 0.25 0.00 -1.21 0.00 0.00 61.69 59.47 1qk3 s THR 180 Cb -0.22 -1.44 0.22 0.00 -1.51 0.00 0.00 72.50 69.55 1qk3 s THR 180 CO 0.28 -0.78 1.44 -0.90 -2.21 0.00 0.00 174.62 172.44 1qk3 n ASP 181 N 0.29 1.45 -4.69 8.08 5.68 -1.26 -4.92 116.55 121.19 1qk3 n ASP 181 Ca -0.15 -1.18 -0.44 0.00 -0.50 0.00 0.00 54.79 52.52 1qk3 n ASP 181 Cb 0.60 0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 40.76 1qk3 n ASP 181 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1qk3 n ARG 182 N -0.29 2.20 -2.85 0.11 1.74 -1.26 -4.94 116.66 111.37 1qk3 n ARG 182 Ca 0.12 0.79 -0.39 0.00 -0.77 0.00 0.00 57.85 57.60 1qk3 n ARG 182 Cb 0.39 -2.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.28 1qk3 n ARG 182 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1qk3 s SER 183 N 0.48 7.46 -1.44 0.55 1.04 -1.26 -3.94 113.70 116.59 1qk3 s SER 183 Ca 0.70 1.80 -0.11 0.00 0.48 0.00 0.00 55.95 58.82 1qk3 s SER 183 Cb -0.62 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 62.99 1qk3 s SER 183 CO 0.47 0.11 1.05 -0.46 0.98 0.00 0.00 173.24 175.39 1qk3 n ASN 184 N 1.25 -5.10 -4.82 7.02 6.94 -1.26 -4.97 115.26 114.33 1qk3 n ASN 184 Ca -0.02 -0.68 -0.33 0.00 -0.02 0.00 0.00 54.58 53.52 1qk3 n ASN 184 Cb 0.48 -4.38 -0.06 0.00 -2.36 0.00 0.00 39.78 33.46 1qk3 n ASN 184 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1qk3 s SER 185 N -3.42 6.76 0.35 0.53 1.04 -1.25 -4.99 113.70 112.72 1qk3 s SER 185 Ca 0.57 1.72 -0.29 0.00 0.48 0.00 0.00 55.95 58.44 1qk3 s SER 185 Cb -0.27 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.20 1qk3 s SER 185 CO 0.79 -0.49 1.51 -0.22 0.98 0.00 0.00 173.24 175.81 1qk3 s LEU 186 N -3.37 4.33 0.08 2.42 0.20 -1.26 -4.91 118.68 116.17 1qk3 s LEU 186 Ca 0.63 3.01 0.08 0.00 0.69 0.00 0.00 54.13 58.54 1qk3 s LEU 186 Cb -0.11 -3.66 -0.03 0.00 -0.43 0.00 0.00 46.19 41.96 1qk3 s LEU 186 CO 0.17 -0.88 -0.21 -0.54 -0.29 0.00 0.00 176.35 174.60 1qk3 s LYS 187 N -1.60 1.20 0.68 1.98 -0.14 0.18 -4.89 119.74 117.15 1qk3 s LYS 187 Ca 0.56 -1.09 -0.04 0.00 -1.36 0.00 0.00 55.97 54.04 1qk3 s LYS 187 Cb -0.47 -1.43 0.07 0.00 -1.68 0.00 0.00 37.83 34.33 1qk3 s LYS 187 CO 0.58 0.34 0.96 0.20 -0.76 0.00 0.00 175.35 176.67 1qk3 s GLY 188 N -1.68 1.75 -0.19 -3.33 0.00 -1.26 -3.80 107.32 98.81 1qk3 s GLY 188 Ca 0.07 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.60 1qk3 s GLY 188 CO 0.03 -0.78 0.06 1.22 0.00 0.00 0.00 173.10 173.64 1qk3 n ASP 189 N -2.78 1.76 -4.01 1.64 8.00 0.15 -4.32 116.55 116.99 1qk3 n ASP 189 Ca 0.10 0.03 -0.31 0.00 0.71 0.00 0.00 54.79 55.32 1qk3 n ASP 189 Cb 0.60 -0.40 -0.15 0.00 -0.02 0.00 0.00 41.12 41.15 1qk3 n ASP 189 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1qk3 s PHE 190 N -2.54 3.63 -0.10 1.24 0.40 -0.59 -4.39 117.98 115.64 1qk3 s PHE 190 Ca -0.26 -3.03 0.03 0.00 -0.60 0.00 0.00 56.93 53.07 1qk3 s PHE 190 Cb 0.08 -2.91 -0.01 0.00 0.51 0.00 0.00 43.02 40.68 1qk3 s PHE 190 CO 0.70 -0.90 -0.19 0.08 0.70 0.00 0.00 175.22 175.60 1qk3 s VAL 191 N 0.64 2.51 -0.01 -0.44 1.01 -1.26 -0.94 120.40 121.91 1qk3 s VAL 191 Ca 0.12 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 1qk3 s VAL 191 Cb -0.21 -1.99 -0.10 0.00 0.00 0.00 0.00 36.38 34.08 1qk3 s VAL 191 CO -0.06 0.55 0.81 1.23 0.00 0.00 0.00 175.10 177.64 1qk3 h GLY 192 N 6.42 -0.69 -4.91 4.51 0.00 -1.00 -3.38 103.07 104.03 1qk3 h GLY 192 Ca -0.27 0.25 -0.31 0.00 0.00 0.00 0.00 47.33 47.01 1qk3 h GLY 192 CO 0.50 -0.25 -0.75 -1.36 0.00 0.00 0.00 176.54 174.69 1qk3 s PHE 193 N -3.74 0.69 -0.27 5.60 0.40 0.29 -2.16 117.98 118.79 1qk3 s PHE 193 Ca -0.10 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 55.77 1qk3 s PHE 193 Cb 0.01 -0.42 -0.04 0.00 0.51 0.00 0.00 43.02 43.09 1qk3 s PHE 193 CO 0.29 -0.05 0.14 0.45 0.70 0.00 0.00 175.22 176.75 1qk3 s SER 194 N -1.15 5.60 0.34 1.36 0.15 -0.05 -1.12 113.70 118.83 1qk3 s SER 194 Ca -0.05 -0.16 0.07 0.00 0.70 0.00 0.00 55.95 56.50 1qk3 s SER 194 Cb -0.08 -2.03 -0.07 0.00 -1.71 0.00 0.00 66.02 62.14 1qk3 s SER 194 CO 0.00 -0.06 -0.02 0.27 1.20 0.00 0.00 173.24 174.63 1qk3 s ILE 195 N 1.68 1.73 0.86 6.45 -4.36 -0.82 -1.19 121.20 125.57 1qk3 s ILE 195 Ca 0.06 -2.07 -0.11 0.00 -0.26 0.00 0.00 60.65 58.27 1qk3 s ILE 195 Cb -0.16 -2.72 0.12 0.00 1.25 0.00 0.00 42.46 40.95 1qk3 s ILE 195 CO 0.07 -0.13 1.16 -0.70 0.24 0.00 0.00 174.94 175.59 1qk3 s GLU 196 N -3.74 1.34 -1.16 0.37 2.12 -1.26 -0.67 118.70 115.70 1qk3 s GLU 196 Ca 0.33 1.58 -0.21 0.00 0.36 0.00 0.00 54.97 57.03 1qk3 s GLU 196 Cb 0.06 -1.76 0.04 0.00 0.26 0.00 0.00 34.13 32.73 1qk3 s GLU 196 CO 0.15 -2.40 1.67 0.34 -0.54 0.00 0.00 175.26 174.48 1qk3 s ASP 197 N -2.58 6.44 0.10 -1.70 3.68 -1.25 -4.51 116.67 116.84 1qk3 s ASP 197 Ca 0.68 -1.90 0.03 0.00 2.13 0.00 0.00 52.55 53.49 1qk3 s ASP 197 Cb -0.24 -2.58 -0.04 0.00 -1.45 0.00 0.00 42.92 38.61 1qk3 s ASP 197 CO 0.55 -1.57 -0.08 0.68 0.13 0.00 0.00 175.17 174.88 1qk3 s VAL 198 N 5.52 0.84 -0.22 1.11 -7.23 -1.26 -5.07 120.40 114.09 1qk3 s VAL 198 Ca 0.54 -1.84 -0.15 0.00 -1.81 0.00 0.00 61.98 58.72 1qk3 s VAL 198 Cb 0.01 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1qk3 s VAL 198 CO 0.01 -0.74 0.36 0.86 -0.31 0.00 0.00 175.10 175.28 1qk3 s TRP 199 N -3.14 3.34 0.21 2.82 -0.11 -1.26 -5.04 118.94 115.75 1qk3 s TRP 199 Ca 0.10 0.52 0.08 0.00 1.22 0.00 0.00 56.10 58.02 1qk3 s TRP 199 Cb 0.02 -2.50 -0.04 0.00 -1.50 0.00 0.00 33.47 29.45 1qk3 s TRP 199 CO -0.02 -0.04 0.01 0.96 -4.62 0.00 0.00 176.95 173.24 1qk3 s ILE 200 N 1.43 3.68 0.12 5.86 -4.36 -1.26 -0.88 121.20 125.78 1qk3 s ILE 200 Ca 0.17 -1.58 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 1qk3 s ILE 200 Cb -0.15 -2.90 -0.04 0.00 1.25 0.00 0.00 42.46 40.62 1qk3 s ILE 200 CO 0.08 -0.21 -0.02 0.68 0.24 0.00 0.00 174.94 175.71 1qk3 s VAL 201 N -1.94 0.50 0.00 8.37 -7.23 0.09 -4.52 120.40 115.68 1qk3 s VAL 201 Ca 0.29 -1.92 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1qk3 s VAL 201 Cb -0.08 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 35.00 1qk3 s VAL 201 CO 0.19 -0.70 0.00 0.61 -0.31 0.00 0.00 175.10 174.89 1qk3 n GLY 202 N -0.09 2.49 7.00 2.32 0.00 0.10 -1.00 105.19 116.01 1qk3 n GLY 202 Ca -0.10 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1qk3 n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qk3 s TYR 205 N -2.68 3.47 0.35 0.00 1.51 -0.09 -4.77 117.35 115.15 1qk3 s TYR 205 Ca 0.25 0.16 -0.15 0.00 -1.01 0.00 0.00 57.07 56.32 1qk3 s TYR 205 Cb 0.20 -1.69 0.04 0.00 -0.11 0.00 0.00 41.96 40.39 1qk3 s TYR 205 CO 0.47 0.55 0.72 0.34 -1.11 0.00 0.00 175.55 176.52 1qk3 s ASP 206 N -2.88 0.08 -0.28 2.29 -1.08 -1.26 -0.72 116.67 112.82 1qk3 s ASP 206 Ca 0.34 -1.09 0.01 0.00 -0.52 0.00 0.00 52.55 51.29 1qk3 s ASP 206 Cb -0.12 0.79 0.16 0.00 -1.46 0.00 0.00 42.92 42.30 1qk3 s ASP 206 CO 0.28 -1.55 0.46 0.12 0.52 0.00 0.00 175.17 174.99 1qk3 s PHE 207 N -2.78 -1.18 -1.59 -5.34 5.36 -1.26 -4.88 117.98 106.31 1qk3 s PHE 207 Ca 0.17 0.78 -0.14 0.00 -0.96 0.00 0.00 56.93 56.79 1qk3 s PHE 207 Cb -0.04 0.07 0.11 0.00 -0.34 0.00 0.00 43.02 42.81 1qk3 s PHE 207 CO 0.12 -0.92 0.81 0.09 -1.46 0.00 0.00 175.22 173.87 1qk3 n ASN 208 N 5.38 -3.42 0.00 6.13 3.02 -1.26 -2.10 115.26 123.01 1qk3 n ASN 208 Ca -0.00 -0.92 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 1qk3 n ASN 208 Cb 0.51 -3.26 0.00 0.00 -0.61 0.00 0.00 39.78 36.41 1qk3 n ASN 208 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1qk3 n GLU 209 N -4.50 -0.82 0.24 3.52 -0.58 -1.26 -4.85 120.64 112.39 1qk3 n GLU 209 Ca 0.00 0.20 0.07 0.00 -0.42 0.00 0.00 57.16 57.01 1qk3 n GLU 209 Cb 0.53 -4.43 0.57 0.00 -0.57 0.00 0.00 31.44 27.54 1qk3 n GLU 209 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1qk3 h MET 210 N 0.32 0.00 -0.04 3.49 2.86 -1.83 -3.09 114.93 116.64 1qk3 h MET 210 Ca 0.00 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1qk3 h MET 210 Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 1qk3 h MET 210 CO 0.00 0.14 -0.45 1.19 1.06 0.00 0.00 176.91 178.85 1qk3 n PHE 211 N -4.25 0.12 0.30 -0.22 3.72 -1.26 -4.81 117.46 111.07 1qk3 n PHE 211 Ca -0.02 -1.51 0.17 0.00 -0.05 0.00 0.00 57.45 56.03 1qk3 n PHE 211 Cb 0.22 -0.28 0.99 0.00 -0.94 0.00 0.00 39.48 39.47 1qk3 n PHE 211 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 1qk3 h ARG 212 N 1.00 0.00 0.00 -1.08 0.11 -1.89 -1.93 114.38 110.60 1qk3 h ARG 212 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 1qk3 h ARG 212 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1qk3 h ARG 212 CO 0.04 0.00 -0.01 -0.40 0.10 0.00 0.00 179.97 179.71 1qk3 n ASP 213 N -3.65 2.08 -4.58 0.08 5.75 -1.26 -5.02 116.55 109.94 1qk3 n ASP 213 Ca -0.03 -2.44 -0.43 0.00 -0.01 0.00 0.00 54.79 51.88 1qk3 n ASP 213 Cb 0.09 -0.19 -0.04 0.00 -1.03 0.00 0.00 41.12 39.95 1qk3 n ASP 213 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1qk3 s PHE 214 N -1.77 3.02 -0.37 2.11 5.36 -0.72 -4.78 117.98 120.82 1qk3 s PHE 214 Ca 0.14 0.54 0.05 0.00 -0.96 0.00 0.00 56.93 56.69 1qk3 s PHE 214 Cb 0.12 -3.72 0.58 0.00 -0.34 0.00 0.00 43.02 39.66 1qk3 s PHE 214 CO 0.01 -0.92 1.72 -0.25 -1.46 0.00 0.00 175.22 174.32 1qk3 n ASP 215 N 6.85 3.91 -4.23 6.13 10.43 -1.26 -0.91 116.55 137.47 1qk3 n ASP 215 Ca 0.06 -3.21 -0.13 0.00 2.57 0.00 0.00 54.79 54.07 1qk3 n ASP 215 Cb 0.48 -0.75 -0.10 0.00 1.84 0.00 0.00 41.12 42.59 1qk3 n ASP 215 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 1qk3 s HIS 216 N -2.68 1.16 -0.08 1.24 3.76 -1.26 -3.56 115.29 113.87 1qk3 s HIS 216 Ca 0.47 -1.05 -0.02 0.00 -0.15 0.00 0.00 55.06 54.31 1qk3 s HIS 216 Cb 0.39 -0.66 -0.04 0.00 1.11 0.00 0.00 32.58 33.38 1qk3 s HIS 216 CO 0.10 -0.26 0.04 0.08 -0.85 0.00 0.00 174.74 173.85 1qk3 s VAL 217 N -3.71 4.57 0.16 -0.90 1.01 -0.16 -3.12 120.40 118.25 1qk3 s VAL 217 Ca 0.24 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1qk3 s VAL 217 Cb 0.06 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1qk3 s VAL 217 CO 0.04 0.57 0.18 0.00 0.00 0.00 0.00 175.10 175.89 1qk3 s ALA 218 N -0.96 0.47 0.11 5.51 0.00 -0.17 -0.17 121.76 126.55 1qk3 s ALA 218 Ca 0.15 -1.21 -0.29 0.00 0.00 0.00 0.00 51.96 50.61 1qk3 s ALA 218 Cb -0.12 0.93 -0.06 0.00 0.00 0.00 0.00 23.12 23.88 1qk3 s ALA 218 CO 0.04 -0.59 0.91 0.08 0.00 0.00 0.00 175.76 176.21 1qk3 s VAL 219 N -4.02 4.51 0.00 0.00 1.01 -1.26 -0.73 120.40 119.90 1qk3 s VAL 219 Ca 0.23 1.96 -0.32 0.00 0.00 0.00 0.00 61.98 63.85 1qk3 s VAL 219 Cb 0.05 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 1qk3 s VAL 219 CO 0.02 0.35 1.93 -0.11 0.00 0.00 0.00 175.10 177.30 1qk3 n LEU 220 N 2.63 3.90 -4.92 3.92 7.94 -0.06 -4.84 117.00 125.58 1qk3 n LEU 220 Ca 0.01 0.93 -0.27 0.00 -1.11 0.00 0.00 56.01 55.57 1qk3 n LEU 220 Cb 0.49 -1.47 0.04 0.00 0.53 0.00 0.00 43.42 43.01 1qk3 n LEU 220 CO 0.50 0.11 0.58 -0.94 -1.11 0.00 0.00 177.39 176.52 1qk3 s SER 221 N 4.17 5.41 0.20 1.96 1.04 -1.26 -4.94 113.70 120.29 1qk3 s SER 221 Ca 0.90 0.71 -0.09 0.00 0.48 0.00 0.00 55.95 57.95 1qk3 s SER 221 Cb -0.53 -1.61 0.14 0.00 0.10 0.00 0.00 66.02 64.12 1qk3 s SER 221 CO 0.45 -1.21 1.79 0.44 0.98 0.00 0.00 173.24 175.69 1qk3 h ASP 222 N -0.32 0.99 -0.95 7.02 3.32 -1.93 -1.04 116.42 123.50 1qk3 h ASP 222 Ca -0.45 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 56.50 1qk3 h ASP 222 Cb 1.27 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.51 1qk3 h ASP 222 CO 0.61 0.86 0.61 0.00 -1.72 0.00 0.00 179.24 179.60 1qk3 h ALA 223 N 1.17 1.26 -0.38 3.45 0.00 -1.92 0.47 119.26 123.32 1qk3 h ALA 223 Ca 0.26 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1qk3 h ALA 223 Cb 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1qk3 h ALA 223 CO -0.03 0.47 -0.36 0.00 0.00 0.00 0.00 179.25 179.33 1qk3 h ALA 224 N 1.40 0.56 -0.49 0.00 0.00 -1.79 -1.36 119.26 117.57 1qk3 h ALA 224 Ca 0.38 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1qk3 h ALA 224 Cb 0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1qk3 h ALA 224 CO -0.13 0.64 0.25 0.00 0.00 0.00 0.00 179.25 180.01 1qk3 h ARG 225 N 0.73 0.70 -0.39 0.00 3.08 -0.02 -2.91 114.38 115.57 1qk3 h ARG 225 Ca 0.06 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1qk3 h ARG 225 Cb 0.95 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1qk3 h ARG 225 CO 0.09 0.57 0.21 0.87 -1.07 0.00 0.00 179.97 180.64 1qk3 h LYS 226 N 0.65 0.53 -0.05 0.04 1.79 0.02 -2.65 116.57 116.90 1qk3 h LYS 226 Ca 0.17 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1qk3 h LYS 226 Cb 0.09 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1qk3 h LYS 226 CO -0.02 0.39 0.18 -0.22 -1.08 0.00 0.00 179.45 178.70 1qk3 h LYS 227 N 0.54 0.00 -0.03 3.15 1.63 -1.03 -3.51 116.57 117.32 1qk3 h LYS 227 Ca 0.14 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1qk3 h LYS 227 Cb 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 1qk3 h LYS 227 CO -0.02 0.00 0.00 1.19 -3.45 0.00 0.00 179.45 177.17