#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk3 s SER 0 N 0.00 4.89 -0.47 1.61 0.01 -1.26 -5.05 113.70 113.42 1qk3 s SER 0 Ca 0.00 -0.25 0.08 0.00 1.31 0.00 0.00 55.95 57.09 1qk3 s SER 0 Cb 0.00 -1.11 0.29 0.00 0.21 0.00 0.00 66.02 65.41 1qk3 s SER 0 CO 0.00 0.15 0.70 1.41 0.41 0.00 0.00 173.24 175.91 1qk3 n HIS 0 N 0.42 1.36 -4.13 2.43 -0.00 -1.26 -4.97 115.22 109.06 1qk3 n HIS 0 Ca -0.11 -3.83 -0.15 0.00 -0.00 0.00 0.00 57.72 53.63 1qk3 n HIS 0 Cb 0.53 -0.44 -0.13 0.00 -0.00 0.00 0.00 29.99 29.95 1qk3 n HIS 0 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1qk3 s MET 1 N -2.18 0.49 0.10 -0.41 0.00 -1.25 -4.18 119.30 111.87 1qk3 s MET 1 Ca 0.40 -0.46 -0.16 0.00 0.00 0.00 0.00 55.69 55.47 1qk3 s MET 1 Cb 0.23 -0.39 -0.07 0.00 0.00 0.00 0.00 34.83 34.61 1qk3 s MET 1 CO -0.09 0.09 1.48 0.00 0.00 0.00 0.00 175.02 176.50 1qk3 h ALA 2 N 5.32 0.43 -2.79 3.16 0.00 -1.71 -3.44 119.26 120.23 1qk3 h ALA 2 Ca -0.32 -0.32 -0.55 0.00 0.00 0.00 0.00 54.91 53.73 1qk3 h ALA 2 Cb 1.20 -0.11 0.11 0.00 0.00 0.00 0.00 17.79 18.98 1qk3 h ALA 2 CO 0.46 0.31 0.72 -1.13 0.00 0.00 0.00 179.25 179.61 1qk3 n SER 3 N -4.41 3.52 -3.64 0.00 3.41 -1.26 -4.88 113.62 106.37 1qk3 n SER 3 Ca -0.03 1.21 -0.08 0.00 -0.26 0.00 0.00 58.87 59.71 1qk3 n SER 3 Cb 0.36 -1.58 -0.07 0.00 -0.26 0.00 0.00 64.21 62.67 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 -1.75 0.58 0.38 4.33 2.20 -1.26 -5.13 119.74 119.08 1qk3 s LYS 4 Ca 0.56 0.81 -0.28 0.00 -0.36 0.00 0.00 55.97 56.70 1qk3 s LYS 4 Cb -0.51 0.21 -0.11 0.00 -1.51 0.00 0.00 37.83 35.92 1qk3 s LYS 4 CO 0.61 -0.09 1.49 -2.14 -0.36 0.00 0.00 175.35 174.86 1qk3 s PRO 5 N 0.81 4.10 0.33 4.03 0.02 -1.26 -4.67 135.00 138.35 1qk3 s PRO 5 Ca -0.03 2.58 0.02 0.00 0.02 0.00 0.00 61.00 63.59 1qk3 s PRO 5 Cb -0.05 -2.96 0.57 0.00 0.02 0.00 0.00 34.50 32.08 1qk3 s PRO 5 CO -0.10 -0.55 1.92 0.82 -0.33 0.00 0.00 177.00 178.77 1qk3 h ILE 6 N 2.97 1.19 0.00 2.83 1.08 -1.94 -2.46 117.51 121.16 1qk3 h ILE 6 Ca -0.51 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.38 1qk3 h ILE 6 Cb 1.24 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1qk3 h ILE 6 CO 0.64 0.23 0.00 -0.62 -0.69 0.00 0.00 178.15 177.71 1qk3 n GLU 7 N -4.35 0.09 0.00 2.37 4.71 -1.26 -1.32 120.64 120.89 1qk3 n GLU 7 Ca 0.04 0.46 0.15 0.00 -0.01 0.00 0.00 57.16 57.80 1qk3 n GLU 7 Cb 0.15 -1.73 0.75 0.00 -1.01 0.00 0.00 31.44 29.61 1qk3 n GLU 7 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1qk3 n ASP 8 N -1.91 0.09 -4.65 1.62 8.00 -0.93 -4.90 116.55 113.87 1qk3 n ASP 8 Ca 0.01 -0.32 -0.47 0.00 0.71 0.00 0.00 54.79 54.72 1qk3 n ASP 8 Cb 0.11 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 40.95 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 -1.19 2.06 -0.70 1.24 9.36 -0.43 -1.74 117.16 125.76 1qk3 n TYR 9 Ca 0.15 0.38 0.00 0.00 3.32 0.00 0.00 57.90 61.75 1qk3 n TYR 9 Cb 0.23 -2.48 0.00 0.00 -0.63 0.00 0.00 39.34 36.46 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 3.10 1.43 0.10 2.98 0.00 -1.26 -4.89 105.19 106.64 1qk3 n GLY 10 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 0.51 -2.42 1.61 5.02 -0.71 -0.52 118.16 119.66 1qk3 n LYS 11 Ca 0.00 0.11 -0.18 0.00 -2.02 0.00 0.00 58.31 56.21 1qk3 n LYS 11 Cb 0.00 -1.78 -0.00 0.00 -0.02 0.00 0.00 35.03 33.23 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 1.23 -0.37 3.71 0.72 0.00 -1.25 -4.81 105.19 104.42 1qk3 n GLY 12 Ca 0.01 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1qk3 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qk3 s LYS 13 N -4.98 4.41 -0.08 1.61 1.02 -1.26 -2.85 119.74 117.61 1qk3 s LYS 13 Ca 0.03 1.79 0.00 0.00 0.02 0.00 0.00 55.97 57.82 1qk3 s LYS 13 Cb -0.01 -3.36 0.00 0.00 -0.52 0.00 0.00 37.83 33.94 1qk3 s LYS 13 CO 0.04 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 1qk3 n GLY 14 N 3.26 0.46 3.82 -3.33 0.00 -1.26 -5.01 105.19 103.13 1qk3 n GLY 14 Ca 0.09 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.76 2.61 -0.28 1.61 1.70 -1.13 -4.64 118.95 118.05 1qk3 s ARG 15 Ca 0.00 0.76 -0.23 0.00 -0.47 0.00 0.00 55.73 55.80 1qk3 s ARG 15 Cb 0.00 -1.97 -0.01 0.00 -0.57 0.00 0.00 34.95 32.41 1qk3 s ARG 15 CO 0.00 -1.28 0.74 0.42 -1.08 0.00 0.00 175.30 174.10 1qk3 s ILE 16 N -3.13 4.86 0.49 4.99 1.01 -1.26 -5.01 121.20 123.16 1qk3 s ILE 16 Ca 0.59 1.20 -0.23 0.00 0.00 0.00 0.00 60.65 62.21 1qk3 s ILE 16 Cb -0.14 -4.07 -0.08 0.00 0.01 0.00 0.00 42.46 38.18 1qk3 s ILE 16 CO 0.54 -0.14 1.16 -0.62 0.00 0.00 0.00 174.94 175.88 1qk3 n GLU 17 N 6.02 1.50 -1.26 2.79 -0.58 -1.26 -4.68 120.64 123.17 1qk3 n GLU 17 Ca 0.02 0.55 -0.31 0.00 -0.42 0.00 0.00 57.16 57.01 1qk3 n GLU 17 Cb 0.48 -2.30 0.11 0.00 -0.57 0.00 0.00 31.44 29.16 1qk3 n GLU 17 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1qk3 s PRO 18 N -2.44 1.93 0.13 3.49 0.04 -1.26 -4.96 135.00 131.93 1qk3 s PRO 18 Ca 0.67 1.02 -0.32 0.00 0.04 0.00 0.00 61.00 62.41 1qk3 s PRO 18 Cb -0.48 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.07 1qk3 s PRO 18 CO 0.53 -1.83 1.74 -0.12 0.04 0.00 0.00 177.00 177.37 1qk3 n MET 19 N -3.63 2.54 -3.10 4.56 0.00 -0.75 -4.70 117.12 112.04 1qk3 n MET 19 Ca 0.08 0.92 -0.41 0.00 -0.00 0.00 0.00 57.70 58.30 1qk3 n MET 19 Cb 0.54 -2.76 -0.06 0.00 0.00 0.00 0.00 33.22 30.93 1qk3 n MET 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 175.97 175.50 1qk3 s TYR 20 N 1.96 3.27 -0.41 1.12 5.04 -1.26 -0.58 117.35 126.49 1qk3 s TYR 20 Ca 0.80 0.78 -0.13 0.00 -2.44 0.00 0.00 57.07 56.08 1qk3 s TYR 20 Cb -0.57 -2.89 0.04 0.00 0.35 0.00 0.00 41.96 38.90 1qk3 s TYR 20 CO 0.38 -0.36 0.28 0.42 -1.34 0.00 0.00 175.55 174.92 1qk3 s ILE 21 N 2.55 4.90 0.82 3.14 -1.09 -0.34 -4.95 121.20 126.22 1qk3 s ILE 21 Ca 0.26 -0.88 -0.12 0.00 -2.23 0.00 0.00 60.65 57.68 1qk3 s ILE 21 Cb -0.15 -3.79 0.09 0.00 -1.58 0.00 0.00 42.46 37.02 1qk3 s ILE 21 CO 0.09 -0.35 1.18 -2.84 -1.23 0.00 0.00 174.94 171.79 1qk3 s PRO 22 N 1.60 1.63 0.58 2.79 0.02 -1.26 -4.38 135.00 135.98 1qk3 s PRO 22 Ca 0.03 1.64 -0.19 0.00 0.02 0.00 0.00 61.00 62.50 1qk3 s PRO 22 Cb -0.20 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 1qk3 s PRO 22 CO 0.07 -2.20 0.91 -0.25 -0.33 0.00 0.00 177.00 175.21 1qk3 n ASP 23 N -3.47 0.58 -4.03 2.53 9.92 -1.26 -3.28 116.55 117.55 1qk3 n ASP 23 Ca 0.13 0.82 -0.29 0.00 -0.53 0.00 0.00 54.79 54.92 1qk3 n ASP 23 Cb 0.51 -1.36 -0.02 0.00 -0.64 0.00 0.00 41.12 39.62 1qk3 n ASP 23 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 1qk3 n ASN 24 N -0.46 -1.68 -4.00 -2.24 5.15 -1.26 -4.98 115.26 105.79 1qk3 n ASN 24 Ca 0.13 -0.98 -0.29 0.00 -0.60 0.00 0.00 54.58 52.83 1qk3 n ASN 24 Cb 0.46 -3.07 -0.17 0.00 -0.53 0.00 0.00 39.78 36.48 1qk3 n ASN 24 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1qk3 s THR 25 N -3.69 1.47 0.16 -0.44 -4.23 -1.21 -5.11 115.64 102.60 1qk3 s THR 25 Ca 0.29 -0.57 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 1qk3 s THR 25 Cb -0.16 -1.40 -0.04 0.00 1.34 0.00 0.00 72.50 72.25 1qk3 s THR 25 CO 0.89 0.44 0.08 -0.36 -0.54 0.00 0.00 174.62 175.14 1qk3 s PHE 26 N 1.51 1.00 0.17 3.99 0.40 -1.26 -4.86 117.98 118.94 1qk3 s PHE 26 Ca 0.05 -1.28 0.07 0.00 -0.60 0.00 0.00 56.93 55.17 1qk3 s PHE 26 Cb -0.13 -0.53 -0.04 0.00 0.51 0.00 0.00 43.02 42.83 1qk3 s PHE 26 CO -0.10 -0.55 -0.01 0.71 0.70 0.00 0.00 175.22 175.97 1qk3 s TYR 27 N -4.07 2.82 -0.04 0.36 2.02 0.44 -4.95 117.35 113.94 1qk3 s TYR 27 Ca 0.30 -0.14 -0.30 0.00 -0.37 0.00 0.00 57.07 56.55 1qk3 s TYR 27 Cb 0.07 -1.37 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1qk3 s TYR 27 CO 0.06 0.52 1.32 1.21 -1.57 0.00 0.00 175.55 177.09 1qk3 s ASN 28 N -2.94 6.93 0.51 2.29 3.84 -1.26 -1.08 114.94 123.24 1qk3 s ASN 28 Ca 0.27 1.97 0.26 0.00 0.21 0.00 0.00 52.86 55.57 1qk3 s ASN 28 Cb -0.09 -2.56 1.37 0.00 -0.55 0.00 0.00 41.25 39.42 1qk3 s ASN 28 CO 0.18 -0.67 2.05 0.00 -2.79 0.00 0.00 177.10 175.87 1qk3 h ALA 29 N 7.76 1.31 0.00 1.71 0.00 -1.89 -2.12 119.26 126.03 1qk3 h ALA 29 Ca -0.36 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1qk3 h ALA 29 Cb 1.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1qk3 h ALA 29 CO 0.90 0.17 0.00 -0.44 0.00 0.00 0.00 179.25 179.88 1qk3 h ASP 30 N 0.00 0.00 0.05 0.00 3.32 -1.94 -2.72 116.42 115.14 1qk3 h ASP 30 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qk3 h ASP 30 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1qk3 h ASP 30 CO 0.02 0.00 -0.02 0.47 -1.72 0.00 0.00 179.24 177.99 1qk3 n ASP 31 N -2.64 0.68 -4.30 6.45 8.00 -0.80 -4.91 116.55 119.03 1qk3 n ASP 31 Ca 0.00 -1.13 -0.17 0.00 0.71 0.00 0.00 54.79 54.20 1qk3 n ASP 31 Cb 0.20 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.19 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 -2.08 1.53 -0.19 1.24 0.08 -1.03 -5.12 117.98 112.41 1qk3 s PHE 32 Ca 0.41 -0.62 -0.29 0.00 0.12 0.00 0.00 56.93 56.54 1qk3 s PHE 32 Cb 0.21 -0.74 -0.01 0.00 -0.57 0.00 0.00 43.02 41.92 1qk3 s PHE 32 CO 0.37 0.24 1.20 -0.51 -0.10 0.00 0.00 175.22 176.42 1qk3 s LEU 33 N -3.11 4.14 -0.03 -0.37 1.43 -1.26 -5.02 118.68 114.45 1qk3 s LEU 33 Ca 0.18 1.56 0.04 0.00 -1.03 0.00 0.00 54.13 54.89 1qk3 s LEU 33 Cb -0.01 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.67 1qk3 s LEU 33 CO 0.04 -0.76 -0.16 -0.69 0.23 0.00 0.00 176.35 175.01 1qk3 s VAL 34 N 3.47 1.32 0.26 -1.59 1.01 -1.26 -4.81 120.40 118.80 1qk3 s VAL 34 Ca 0.52 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 1qk3 s VAL 34 Cb -0.19 -1.13 -0.11 0.00 0.00 0.00 0.00 36.38 34.96 1qk3 s VAL 34 CO 0.13 0.38 1.52 -2.84 0.00 0.00 0.00 175.10 174.28 1qk3 s PRO 35 N -0.06 4.20 0.27 2.72 0.02 -1.26 -4.88 135.00 136.01 1qk3 s PRO 35 Ca -0.01 2.43 -0.00 0.00 0.02 0.00 0.00 61.00 63.44 1qk3 s PRO 35 Cb -0.10 -3.07 0.57 0.00 0.02 0.00 0.00 34.50 31.92 1qk3 s PRO 35 CO 0.01 -0.52 1.74 -1.35 -0.33 0.00 0.00 177.00 176.54 1qk3 h PRO 36 N 5.07 0.52 0.00 5.54 0.11 -2.00 -0.90 132.00 140.33 1qk3 h PRO 36 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1qk3 h PRO 36 Cb 1.22 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1qk3 h PRO 36 CO 0.79 0.34 -0.03 1.12 -0.21 0.00 0.00 178.00 180.01 1qk3 h HIS 37 N 0.53 0.00 0.00 0.65 2.07 -1.99 -2.66 115.15 113.75 1qk3 h HIS 37 Ca 0.48 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.81 1qk3 h HIS 37 Cb 0.76 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.71 1qk3 h HIS 37 CO -0.12 0.03 -1.17 0.00 -3.07 0.00 0.00 177.93 173.61 1qk3 h LYS 39 N 0.00 0.15 0.00 0.00 1.57 -1.13 -0.84 116.57 116.32 1qk3 h LYS 39 Ca -0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1qk3 h LYS 39 Cb 1.69 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.97 1qk3 h LYS 39 CO 0.08 0.10 0.00 -1.35 -0.57 0.00 0.00 179.45 177.71 1qk3 h PRO 40 N 0.16 0.00 -0.02 3.15 0.11 -1.79 -2.54 132.00 131.07 1qk3 h PRO 40 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1qk3 h PRO 40 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1qk3 h PRO 40 CO -0.65 0.00 -0.43 0.66 -0.21 0.00 0.00 178.00 177.37 1qk3 n TYR 41 N -3.06 0.00 -3.85 0.65 4.02 -0.34 -4.86 117.16 109.73 1qk3 n TYR 41 Ca -0.02 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.52 1qk3 n TYR 41 Cb 0.14 -0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.33 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 -2.44 3.20 0.03 -0.72 1.01 -0.96 -4.43 121.20 116.90 1qk3 s ILE 42 Ca 0.20 -1.53 -0.17 0.00 0.00 0.00 0.00 60.65 59.14 1qk3 s ILE 42 Cb 0.18 -2.94 -0.27 0.00 0.01 0.00 0.00 42.46 39.45 1qk3 s ILE 42 CO 0.55 -0.28 1.09 0.44 0.00 0.00 0.00 174.94 176.73 1qk3 h ASP 43 N 8.05 0.73 -5.02 3.58 3.32 -1.89 -3.48 116.42 121.70 1qk3 h ASP 43 Ca -0.19 -0.80 0.06 0.00 0.02 0.00 0.00 57.03 56.12 1qk3 h ASP 43 Cb 1.06 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 40.31 1qk3 h ASP 43 CO 0.59 1.45 0.27 -1.59 -1.72 0.00 0.00 179.24 178.24 1qk3 s LYS 44 N -3.05 1.54 -0.05 3.56 -2.85 -1.26 -4.64 119.74 112.99 1qk3 s LYS 44 Ca -0.11 -0.78 -0.00 0.00 -1.00 0.00 0.00 55.97 54.07 1qk3 s LYS 44 Cb 0.05 0.57 -0.03 0.00 -2.06 0.00 0.00 37.83 36.35 1qk3 s LYS 44 CO 0.88 -0.70 0.00 0.42 0.10 0.00 0.00 175.35 176.06 1qk3 s ILE 45 N -3.76 4.24 -0.18 3.79 1.01 -0.24 -4.60 121.20 121.46 1qk3 s ILE 45 Ca 0.08 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 1qk3 s ILE 45 Cb -0.04 -2.83 -0.14 0.00 0.01 0.00 0.00 42.46 39.46 1qk3 s ILE 45 CO 0.00 0.50 0.11 0.25 0.00 0.00 0.00 174.94 175.81 1qk3 h LEU 46 N 4.79 0.00 -7.54 2.97 5.85 -1.04 0.13 115.31 120.46 1qk3 h LEU 46 Ca -0.50 -0.35 -0.50 0.00 0.84 0.00 0.00 57.88 57.37 1qk3 h LEU 46 Cb 1.18 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 41.83 1qk3 h LEU 46 CO 0.56 1.18 -0.78 -0.76 -0.34 0.00 0.00 178.44 178.30 1qk3 s LEU 47 N -8.03 1.12 0.47 2.25 1.43 -0.65 -4.73 118.68 110.53 1qk3 s LEU 47 Ca -0.22 -0.42 -0.24 0.00 -1.03 0.00 0.00 54.13 52.21 1qk3 s LEU 47 Cb 0.04 -0.70 -0.08 0.00 0.03 0.00 0.00 46.19 45.48 1qk3 s LEU 47 CO 0.45 -0.19 1.39 -2.65 0.23 0.00 0.00 176.35 175.58 1qk3 n PRO 48 N 5.00 2.07 -0.25 1.29 -0.02 -1.26 -0.52 135.00 141.31 1qk3 n PRO 48 Ca -0.10 0.74 0.10 0.00 -2.02 0.00 0.00 63.50 62.22 1qk3 n PRO 48 Cb 0.49 -2.58 0.36 0.00 -0.02 0.00 0.00 33.50 31.75 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 2.04 1.14 1.81 -1.23 0.00 -1.92 -1.62 103.07 103.29 1qk3 h GLY 49 Ca -0.50 -0.31 -0.11 0.00 0.00 0.00 0.00 47.33 46.40 1qk3 h GLY 49 CO 0.60 0.15 -0.46 -1.33 0.00 0.00 0.00 176.54 175.50 1qk3 h GLY 50 N 0.74 0.23 1.02 4.60 0.00 -1.90 -1.49 103.07 106.27 1qk3 h GLY 50 Ca 0.40 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 1qk3 h GLY 50 CO -0.17 0.21 -0.12 -2.00 0.00 0.00 0.00 176.54 174.46 1qk3 h LEU 51 N 0.17 0.86 -0.31 3.11 5.85 -1.69 -1.96 115.31 121.35 1qk3 h LEU 51 Ca 0.01 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.40 1qk3 h LEU 51 Cb 0.88 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1qk3 h LEU 51 CO 0.07 1.03 0.07 0.58 -0.34 0.00 0.00 178.44 179.85 1qk3 h VAL 52 N 0.68 0.86 -0.77 1.05 2.07 -1.15 -1.80 116.25 117.19 1qk3 h VAL 52 Ca 0.11 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1qk3 h VAL 52 Cb 0.66 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1qk3 h VAL 52 CO 0.05 0.03 0.41 0.11 0.02 0.00 0.00 177.57 178.19 1qk3 h LYS 53 N 0.19 1.08 -0.62 1.57 1.57 -1.13 -0.19 116.57 119.04 1qk3 h LYS 53 Ca 0.14 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1qk3 h LYS 53 Cb 0.15 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 1qk3 h LYS 53 CO -0.18 0.81 0.27 -0.44 -0.57 0.00 0.00 179.45 179.33 1qk3 h ASP 54 N 1.07 0.81 -0.13 0.86 3.32 -1.19 0.34 116.42 121.50 1qk3 h ASP 54 Ca 0.27 -0.10 -0.17 0.00 0.02 0.00 0.00 57.03 57.05 1qk3 h ASP 54 Cb 0.05 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 1qk3 h ASP 54 CO -0.04 0.71 -0.55 0.03 -1.72 0.00 0.00 179.24 177.67 1qk3 h ARG 55 N 0.88 0.72 -0.73 3.56 2.47 -0.67 -2.54 114.38 118.07 1qk3 h ARG 55 Ca 0.21 -0.45 -0.04 0.00 -1.26 0.00 0.00 59.98 58.44 1qk3 h ARG 55 Cb 0.14 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.48 1qk3 h ARG 55 CO -0.02 1.07 0.28 0.28 0.56 0.00 0.00 179.97 182.14 1qk3 h VAL 56 N 0.55 1.25 -0.67 2.04 2.07 -0.77 -0.97 116.25 119.76 1qk3 h VAL 56 Ca 0.01 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 66.76 1qk3 h VAL 56 Cb 1.12 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1qk3 h VAL 56 CO 0.11 0.32 0.41 -0.08 0.02 0.00 0.00 177.57 178.35 1qk3 h GLU 57 N 1.05 0.77 -0.73 1.57 4.81 -0.84 0.87 114.58 122.08 1qk3 h GLU 57 Ca 0.24 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 1qk3 h GLU 57 Cb 0.23 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1qk3 h GLU 57 CO -0.02 0.51 0.22 -0.22 -0.73 0.00 0.00 179.01 178.77 1qk3 h LYS 58 N 0.79 1.14 -0.72 1.92 1.63 -1.17 -1.67 116.57 118.49 1qk3 h LYS 58 Ca 0.27 -0.25 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1qk3 h LYS 58 Cb 0.05 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 1qk3 h LYS 58 CO -0.12 0.98 0.32 -0.07 -3.45 0.00 0.00 179.45 177.11 1qk3 h LEU 59 N 1.09 0.96 -0.76 5.20 3.38 -0.80 -0.44 115.31 123.94 1qk3 h LEU 59 Ca 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1qk3 h LEU 59 Cb 0.32 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1qk3 h LEU 59 CO -0.01 0.85 0.43 0.00 0.09 0.00 0.00 178.44 179.80 1qk3 h ALA 60 N 1.15 0.97 -0.48 1.53 0.00 -0.55 0.20 119.26 122.09 1qk3 h ALA 60 Ca 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1qk3 h ALA 60 Cb 0.16 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1qk3 h ALA 60 CO -0.03 0.47 0.21 -0.92 0.00 0.00 0.00 179.25 178.98 1qk3 h TYR 61 N 1.04 0.71 -0.64 0.00 3.20 -0.95 -0.70 116.97 119.64 1qk3 h TYR 61 Ca 0.27 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1qk3 h TYR 61 Cb 0.01 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 1qk3 h TYR 61 CO -0.00 0.58 0.33 -0.44 -1.64 0.00 0.00 178.16 176.99 1qk3 h ASP 62 N 0.63 0.81 -0.24 -2.11 3.32 -0.58 -2.04 116.42 116.20 1qk3 h ASP 62 Ca 0.16 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1qk3 h ASP 62 Cb 0.16 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 1qk3 h ASP 62 CO -0.02 0.69 0.07 0.40 -1.72 0.00 0.00 179.24 178.66 1qk3 h ILE 63 N 0.87 1.20 -0.55 0.35 2.04 -0.80 -1.94 117.51 118.68 1qk3 h ILE 63 Ca 0.22 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1qk3 h ILE 63 Cb 0.07 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1qk3 h ILE 63 CO -0.03 0.21 0.34 -0.74 0.00 0.00 0.00 178.15 177.92 1qk3 h HIS 64 N 0.22 0.64 -0.50 1.37 2.76 -0.92 -2.42 115.15 116.30 1qk3 h HIS 64 Ca 0.08 0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1qk3 h HIS 64 Cb 0.25 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 1qk3 h HIS 64 CO 0.01 0.38 0.17 0.00 -1.30 0.00 0.00 177.93 177.18 1qk3 h ARG 65 N 0.68 0.76 -0.59 5.26 3.08 -1.28 -1.85 114.38 120.45 1qk3 h ARG 65 Ca 0.22 -0.16 0.07 0.00 0.07 0.00 0.00 59.98 60.18 1qk3 h ARG 65 Cb -0.00 -0.11 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 1qk3 h ARG 65 CO -0.08 0.71 0.27 1.15 -1.07 0.00 0.00 179.97 180.94 1qk3 h THR 66 N 0.67 0.88 -0.60 2.04 2.02 -1.06 -3.09 112.91 113.77 1qk3 h THR 66 Ca 0.16 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1qk3 h THR 66 Cb 0.25 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1qk3 h THR 66 CO -0.01 0.09 0.00 -1.22 0.37 0.00 0.00 175.52 174.75 1qk3 n TYR 67 N -4.91 1.34 -1.68 3.16 4.02 -0.94 -1.83 117.16 116.33 1qk3 n TYR 67 Ca 0.07 -0.62 -0.46 0.00 -0.01 0.00 0.00 57.90 56.88 1qk3 n TYR 67 Cb 0.20 -0.22 -0.04 0.00 -0.02 0.00 0.00 39.34 39.26 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 0.99 2.36 0.00 -0.72 7.35 -0.70 -0.53 117.46 126.21 1qk3 n PHE 68 Ca 0.24 0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.99 1qk3 n PHE 68 Cb 0.84 -2.64 0.00 0.00 0.35 0.00 0.00 39.48 38.04 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 4.01 1.92 3.89 7.13 0.00 -1.26 -5.02 105.19 115.87 1qk3 n GLY 69 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.39 3.23 -0.03 1.61 0.41 0.31 -4.49 118.70 119.36 1qk3 s GLU 70 Ca 0.00 -0.75 -0.30 0.00 -0.41 0.00 0.00 54.97 53.51 1qk3 s GLU 70 Cb 0.00 -2.82 -0.03 0.00 -1.78 0.00 0.00 34.13 29.50 1qk3 s GLU 70 CO 0.00 0.49 1.09 -2.00 -0.49 0.00 0.00 175.26 174.34 1qk3 s GLU 71 N -3.36 4.45 -0.09 1.61 2.12 -1.26 -4.73 118.70 117.43 1qk3 s GLU 71 Ca 0.33 1.55 0.04 0.00 0.36 0.00 0.00 54.97 57.26 1qk3 s GLU 71 Cb -0.10 -3.48 -0.00 0.00 0.26 0.00 0.00 34.13 30.81 1qk3 s GLU 71 CO 0.27 -0.26 -0.22 -1.17 -0.54 0.00 0.00 175.26 173.33 1qk3 s LEU 72 N 1.57 2.03 -0.24 2.70 2.96 -1.26 -4.27 118.68 122.17 1qk3 s LEU 72 Ca 0.54 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.89 1qk3 s LEU 72 Cb -0.23 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 1qk3 s LEU 72 CO 0.24 0.16 -0.01 -1.00 -1.32 0.00 0.00 176.35 174.43 1qk3 s HIS 73 N 0.29 3.02 -0.21 5.38 3.76 -0.29 -0.91 115.29 126.33 1qk3 s HIS 73 Ca -0.15 -0.92 -0.06 0.00 -0.15 0.00 0.00 55.06 53.78 1qk3 s HIS 73 Cb -0.17 -2.15 -0.03 0.00 1.11 0.00 0.00 32.58 31.35 1qk3 s HIS 73 CO 0.07 -0.54 0.02 0.42 -0.85 0.00 0.00 174.74 173.86 1qk3 s ILE 74 N 1.49 4.08 -0.24 0.60 1.01 0.18 -1.25 121.20 127.08 1qk3 s ILE 74 Ca 0.05 -0.27 -0.09 0.00 0.00 0.00 0.00 60.65 60.34 1qk3 s ILE 74 Cb -0.15 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 1qk3 s ILE 74 CO -0.01 0.42 0.12 -0.63 0.00 0.00 0.00 174.94 174.84 1qk3 s ILE 75 N 1.04 4.97 -0.44 2.92 1.01 0.37 -1.11 121.20 129.96 1qk3 s ILE 75 Ca 0.02 0.05 -0.18 0.00 0.00 0.00 0.00 60.65 60.54 1qk3 s ILE 75 Cb -0.14 -3.32 0.03 0.00 0.01 0.00 0.00 42.46 39.04 1qk3 s ILE 75 CO 0.02 0.35 0.50 0.00 0.00 0.00 0.00 174.94 175.80 1qk3 s ILE 77 N 2.29 3.16 -1.37 0.00 -1.09 -1.04 -2.20 121.20 120.95 1qk3 s ILE 77 Ca 0.14 0.68 -0.09 0.00 -2.23 0.00 0.00 60.65 59.15 1qk3 s ILE 77 Cb -0.17 -3.43 -0.07 0.00 -1.58 0.00 0.00 42.46 37.21 1qk3 s ILE 77 CO 0.14 0.01 2.93 0.18 -1.23 0.00 0.00 174.94 176.97 1qk3 n LEU 78 N 5.08 8.21 -3.95 2.97 4.77 0.08 -4.77 117.00 129.39 1qk3 n LEU 78 Ca 0.14 -4.33 -0.29 0.00 -0.03 0.00 0.00 56.01 51.50 1qk3 n LEU 78 Cb 0.41 -1.50 -0.16 0.00 -2.33 0.00 0.00 43.42 39.84 1qk3 n LEU 78 CO 0.61 2.03 -0.45 -0.75 -1.33 0.00 0.00 177.39 177.50 1qk3 s LYS 79 N 1.32 1.78 3.21 3.23 2.20 -1.26 -4.91 119.74 125.31 1qk3 s LYS 79 Ca 0.66 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.68 1qk3 s LYS 79 Cb 0.20 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.42 1qk3 s LYS 79 CO -0.06 -0.38 0.00 0.41 -0.36 0.00 0.00 175.35 174.96 1qk3 n GLY 80 N 4.81 -0.12 3.82 5.54 0.00 -1.26 -4.66 105.19 113.31 1qk3 n GLY 80 Ca -0.14 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 1qk3 n GLY 80 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qk3 s SER 81 N -4.00 7.00 0.00 1.61 0.15 -1.26 -4.97 113.70 112.22 1qk3 s SER 81 Ca 0.00 1.63 0.21 0.00 0.70 0.00 0.00 55.95 58.50 1qk3 s SER 81 Cb 0.00 -2.51 0.79 0.00 -1.71 0.00 0.00 66.02 62.59 1qk3 s SER 81 CO 0.00 -0.25 1.57 0.54 1.20 0.00 0.00 173.24 176.30 1qk3 n ARG 82 N -0.28 1.68 -0.12 5.44 1.74 -1.26 -4.39 116.66 119.47 1qk3 n ARG 82 Ca 0.05 -1.03 -0.05 0.00 -0.77 0.00 0.00 57.85 56.05 1qk3 n ARG 82 Cb 0.53 -1.40 0.01 0.00 -1.02 0.00 0.00 32.46 30.59 1qk3 n ARG 82 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1qk3 h GLY 83 N 5.02 0.14 0.90 -0.13 0.00 -1.93 0.93 103.07 108.01 1qk3 h GLY 83 Ca 0.00 0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 1qk3 h GLY 83 CO 0.00 -0.19 0.03 -2.75 0.00 0.00 0.00 176.54 173.63 1qk3 h PHE 84 N -0.10 0.60 -0.63 5.60 3.57 -1.84 -1.89 116.94 122.26 1qk3 h PHE 84 Ca 0.20 -0.09 0.06 0.00 3.53 0.00 0.00 57.97 61.67 1qk3 h PHE 84 Cb 0.40 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 1qk3 h PHE 84 CO -0.42 0.65 0.32 0.35 -2.23 0.00 0.00 178.31 176.98 1qk3 h PHE 85 N 0.38 0.59 -0.74 0.41 3.57 -1.77 -0.74 116.94 118.65 1qk3 h PHE 85 Ca 0.10 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1qk3 h PHE 85 Cb 0.39 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1qk3 h PHE 85 CO 0.03 0.26 0.30 -0.91 -2.23 0.00 0.00 178.31 175.76 1qk3 h ASN 86 N 0.59 1.02 -0.35 0.41 2.35 -0.70 -0.27 115.58 118.63 1qk3 h ASN 86 Ca 0.29 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1qk3 h ASN 86 Cb 0.23 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 1qk3 h ASN 86 CO -0.20 0.91 -0.03 0.25 -1.65 0.00 0.00 177.43 176.70 1qk3 h LEU 87 N 1.06 0.64 -0.23 1.61 5.85 -0.97 -0.84 115.31 122.44 1qk3 h LEU 87 Ca 0.25 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1qk3 h LEU 87 Cb 0.21 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1qk3 h LEU 87 CO -0.02 0.82 0.14 0.25 -0.34 0.00 0.00 178.44 179.29 1qk3 h LEU 88 N 0.45 0.25 -0.87 2.25 5.85 -0.91 -2.54 115.31 119.78 1qk3 h LEU 88 Ca 0.10 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1qk3 h LEU 88 Cb 0.51 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1qk3 h LEU 88 CO 0.02 0.18 0.58 0.40 -0.34 0.00 0.00 178.44 179.28 1qk3 h ILE 89 N 0.30 1.22 -0.38 4.05 1.08 -1.03 -1.03 117.51 121.72 1qk3 h ILE 89 Ca 0.08 -0.40 0.07 0.00 -0.39 0.00 0.00 64.86 64.21 1qk3 h ILE 89 Cb -0.03 -0.06 -0.06 0.00 -3.07 0.00 0.00 36.82 33.60 1qk3 h ILE 89 CO -0.02 0.22 0.03 -0.78 -0.69 0.00 0.00 178.15 176.90 1qk3 h ASP 90 N 1.18 -0.10 -0.36 1.72 1.82 -0.86 0.64 116.42 120.48 1qk3 h ASP 90 Ca 0.32 0.08 -0.12 0.00 -0.39 0.00 0.00 57.03 56.92 1qk3 h ASP 90 Cb -0.13 0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1qk3 h ASP 90 CO -0.07 -0.01 -0.23 1.88 -1.61 0.00 0.00 179.24 179.19 1qk3 h TYR 91 N 0.14 0.98 -0.33 0.28 -1.99 -1.18 -2.39 116.97 112.47 1qk3 h TYR 91 Ca 0.19 -0.23 -0.06 0.00 2.00 0.00 0.00 58.73 60.62 1qk3 h TYR 91 Cb 0.25 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.73 1qk3 h TYR 91 CO -0.24 1.00 -0.07 -0.07 -0.00 0.00 0.00 178.16 178.78 1qk3 h LEU 92 N 0.74 0.52 -0.51 3.88 3.38 -0.88 -1.47 115.31 120.97 1qk3 h LEU 92 Ca 0.10 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1qk3 h LEU 92 Cb 0.77 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1qk3 h LEU 92 CO 0.06 0.64 -0.44 0.00 0.09 0.00 0.00 178.44 178.79 1qk3 h ALA 93 N 1.42 0.69 -0.31 1.53 0.00 -0.73 -1.19 119.26 120.66 1qk3 h ALA 93 Ca 0.10 -0.47 -0.17 0.00 0.00 0.00 0.00 54.91 54.38 1qk3 h ALA 93 Cb 0.44 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1qk3 h ALA 93 CO 0.02 0.67 -0.46 1.15 0.00 0.00 0.00 179.25 180.63 1qk3 h THR 94 N 0.58 1.28 -0.53 0.00 2.02 -0.98 -0.85 112.91 114.43 1qk3 h THR 94 Ca 0.04 -1.65 -0.00 0.00 0.77 0.00 0.00 66.41 65.57 1qk3 h THR 94 Cb 0.99 1.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.91 1qk3 h THR 94 CO 0.09 0.54 0.32 0.40 0.37 0.00 0.00 175.52 177.24 1qk3 h ILE 95 N 0.66 1.16 -0.93 3.11 2.04 -1.23 -2.28 117.51 120.04 1qk3 h ILE 95 Ca 0.04 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1qk3 h ILE 95 Cb 1.04 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1qk3 h ILE 95 CO 0.10 0.16 0.55 -0.61 0.00 0.00 0.00 178.15 178.35 1qk3 h GLN 96 N 0.71 1.27 -0.14 2.37 4.15 -1.03 -0.25 115.11 122.19 1qk3 h GLN 96 Ca 0.19 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 59.37 1qk3 h GLN 96 Cb -0.01 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.40 1qk3 h GLN 96 CO -0.04 0.90 -0.40 -0.22 -1.93 0.00 0.00 178.83 177.14 1qk3 h LYS 97 N 1.29 0.31 -0.34 1.69 3.64 -0.91 -3.22 116.57 119.02 1qk3 h LYS 97 Ca 0.33 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1qk3 h LYS 97 Cb -0.03 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1qk3 h LYS 97 CO -0.06 0.67 0.00 0.66 -2.27 0.00 0.00 179.45 178.45 1qk3 n TYR 98 N -4.03 0.45 0.00 1.91 0.53 -0.88 -4.96 117.16 110.17 1qk3 n TYR 98 Ca -0.01 -0.36 0.00 0.00 -1.02 0.00 0.00 57.90 56.50 1qk3 n TYR 98 Cb 0.48 -0.01 0.00 0.00 -1.03 0.00 0.00 39.34 38.78 1qk3 n TYR 98 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1qk3 n SER 99 N 0.85 0.00 -4.55 7.72 2.88 -0.13 -4.93 113.62 115.46 1qk3 n SER 99 Ca 0.14 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.26 1qk3 n SER 99 Cb 0.45 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.88 1qk3 n SER 99 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1qk3 s GLY 100 N 0.00 1.27 -1.51 0.46 0.00 -1.26 -4.90 107.32 101.38 1qk3 s GLY 100 Ca 0.00 -2.19 -0.10 0.00 0.00 0.00 0.00 44.72 42.43 1qk3 s GLY 100 CO 0.00 2.61 2.61 0.54 0.00 0.00 0.00 173.10 178.86 1qk3 n ARG 101 N 8.72 3.67 -0.87 2.90 1.74 -1.26 -4.24 116.66 127.32 1qk3 n ARG 101 Ca 0.28 -2.63 0.05 0.00 -0.77 0.00 0.00 57.85 54.78 1qk3 n ARG 101 Cb 0.50 -2.89 0.12 0.00 -1.02 0.00 0.00 32.46 29.18 1qk3 n ARG 101 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1qk3 n GLU 102 N 3.83 0.91 0.00 5.56 -0.58 -1.26 -5.11 120.64 123.98 1qk3 n GLU 102 Ca 0.67 -2.65 0.00 0.00 -0.42 0.00 0.00 57.16 54.76 1qk3 n GLU 102 Cb 0.28 -0.97 0.00 0.00 -0.57 0.00 0.00 31.44 30.18 1qk3 n GLU 102 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1qk3 n SER 103 N -0.50 0.00 0.00 1.62 2.88 -1.26 -5.00 113.62 111.36 1qk3 n SER 103 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1qk3 n SER 103 Cb 0.85 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 1qk3 n SER 103 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1qk3 n SER 104 N -2.25 0.00 -0.04 -3.46 2.88 -1.26 -4.94 113.62 104.56 1qk3 n SER 104 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1qk3 n SER 104 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1qk3 n SER 104 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1qk3 n VAL 105 N 0.00 0.00 -1.79 2.46 0.31 -1.26 -4.75 118.33 113.30 1qk3 n VAL 105 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.92 1qk3 n VAL 105 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1qk3 n VAL 105 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1qk3 s PRO 106 N 0.00 4.04 0.88 5.55 0.02 -1.26 -4.96 135.00 139.26 1qk3 s PRO 106 Ca 0.00 2.57 -0.10 0.00 0.02 0.00 0.00 61.00 63.49 1qk3 s PRO 106 Cb 0.00 -2.92 0.13 0.00 0.02 0.00 0.00 34.50 31.73 1qk3 s PRO 106 CO 0.00 -0.59 1.14 -1.25 -0.33 0.00 0.00 177.00 175.97 1qk3 s PRO 107 N -2.16 1.28 0.78 5.54 0.04 -1.26 -4.65 135.00 134.57 1qk3 s PRO 107 Ca 0.54 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 1qk3 s PRO 107 Cb -0.46 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.38 1qk3 s PRO 107 CO 0.63 -2.43 1.13 -0.59 0.04 0.00 0.00 177.00 175.78 1qk3 s PHE 108 N -2.70 2.21 0.01 0.56 -0.12 -1.26 -4.73 117.98 111.95 1qk3 s PHE 108 Ca 0.66 1.63 0.03 0.00 -0.05 0.00 0.00 56.93 59.19 1qk3 s PHE 108 Cb -0.22 -3.24 -0.04 0.00 -0.63 0.00 0.00 43.02 38.90 1qk3 s PHE 108 CO 0.57 -2.22 -0.03 -0.06 -0.05 0.00 0.00 175.22 173.43 1qk3 s PHE 109 N -2.55 2.98 -0.08 3.49 0.40 -0.09 -5.01 117.98 117.12 1qk3 s PHE 109 Ca 0.66 0.02 0.01 0.00 -0.60 0.00 0.00 56.93 57.02 1qk3 s PHE 109 Cb -0.22 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 1qk3 s PHE 109 CO 0.52 0.43 -0.10 -1.21 0.70 0.00 0.00 175.22 175.55 1qk3 s GLU 110 N -1.59 2.81 0.01 0.44 2.02 -1.26 -0.65 118.70 120.48 1qk3 s GLU 110 Ca 0.19 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.57 1qk3 s GLU 110 Cb -0.11 -2.54 -0.01 0.00 0.10 0.00 0.00 34.13 31.56 1qk3 s GLU 110 CO 0.10 0.55 -0.03 -1.01 0.02 0.00 0.00 175.26 174.90 1qk3 s HIS 111 N -0.53 0.26 -0.17 1.61 3.76 -0.27 -4.94 115.29 115.01 1qk3 s HIS 111 Ca 0.08 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 1qk3 s HIS 111 Cb -0.12 -0.17 0.01 0.00 1.11 0.00 0.00 32.58 33.41 1qk3 s HIS 111 CO 0.02 -0.10 -0.16 0.71 -0.85 0.00 0.00 174.74 174.36 1qk3 s TYR 112 N -0.86 2.79 0.01 1.40 1.51 -1.26 -0.32 117.35 120.62 1qk3 s TYR 112 Ca -0.08 -1.29 0.09 0.00 -1.01 0.00 0.00 57.07 54.77 1qk3 s TYR 112 Cb -0.06 -1.92 -0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1qk3 s TYR 112 CO -0.00 -0.63 -0.26 0.08 -1.11 0.00 0.00 175.55 173.63 1qk3 s VAL 113 N 1.08 2.13 0.00 0.71 1.01 -0.94 -4.96 120.40 119.43 1qk3 s VAL 113 Ca -0.00 -1.24 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1qk3 s VAL 113 Cb -0.14 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1qk3 s VAL 113 CO -0.05 0.47 0.14 -2.11 0.00 0.00 0.00 175.10 173.54 1qk3 n ARG 114 N 2.09 0.00 0.00 2.72 0.00 -1.26 -0.74 116.66 119.47 1qk3 n ARG 114 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 1qk3 n ARG 114 Cb 0.51 -0.54 0.00 0.00 -0.00 0.00 0.00 32.46 32.43 1qk3 n ARG 114 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1qk3 n LEU 115 N -0.34 0.00 -4.42 2.89 4.77 -1.26 -4.09 117.00 114.54 1qk3 n LEU 115 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1qk3 n LEU 115 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1qk3 n LEU 115 CO 0.00 0.00 -0.54 -0.62 -1.33 0.00 0.00 177.39 174.90 1qk3 s ASP 133 N -0.61 3.46 0.00 -1.43 -1.08 -1.26 -5.15 116.67 110.61 1qk3 s ASP 133 Ca 0.00 -0.78 0.10 0.00 -0.52 0.00 0.00 52.55 51.36 1qk3 s ASP 133 Cb 0.00 -0.29 0.61 0.00 -1.46 0.00 0.00 42.92 41.79 1qk3 s ASP 133 CO 0.00 0.15 1.33 0.18 0.52 0.00 0.00 175.17 177.35 1qk3 n LEU 134 N 0.57 0.00 0.17 -1.34 4.77 -1.26 -4.41 117.00 115.50 1qk3 n LEU 134 Ca -0.15 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 55.98 1qk3 n LEU 134 Cb 0.54 0.00 0.75 0.00 -2.33 0.00 0.00 43.42 42.38 1qk3 n LEU 134 CO 0.27 0.00 1.14 0.77 -1.33 0.00 0.00 177.39 178.23 1qk3 h SER 135 N 0.00 0.00 0.47 -1.43 4.64 -1.99 -2.23 113.55 113.00 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 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qk3 h SER 135 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1qk3 n ILE 136 N -4.16 0.92 1.23 0.95 3.06 -1.26 -2.53 119.36 117.58 1qk3 n ILE 136 Ca 0.02 0.40 0.13 0.00 -2.50 0.00 0.00 62.75 60.80 1qk3 n ILE 136 Cb 0.32 -1.35 0.35 0.00 0.54 0.00 0.00 39.64 39.49 1qk3 n ILE 136 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1qk3 n PHE 137 N -2.22 0.05 -1.72 9.51 3.01 -0.84 -4.86 117.46 120.39 1qk3 n PHE 137 Ca 0.01 -0.03 -0.43 0.00 1.01 0.00 0.00 57.45 58.02 1qk3 n PHE 137 Cb 0.16 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.61 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 0.66 2.59 -2.42 -1.08 0.63 -1.05 -1.66 116.66 114.33 1qk3 n ARG 138 Ca 0.17 0.92 -0.16 0.00 -0.92 0.00 0.00 57.85 57.87 1qk3 n ARG 138 Cb 0.45 -2.71 -0.01 0.00 0.45 0.00 0.00 32.46 30.64 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 2.80 -4.78 -4.61 6.15 2.03 -0.57 -4.88 116.55 112.68 1qk3 n ASP 139 Ca 0.12 0.10 -0.23 0.00 0.52 0.00 0.00 54.79 55.30 1qk3 n ASP 139 Cb 0.35 -4.02 -0.08 0.00 -0.72 0.00 0.00 41.12 36.65 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 -5.03 2.17 -0.22 -0.67 -0.14 -0.66 -4.41 119.74 110.78 1qk3 s LYS 140 Ca 0.00 -1.50 -0.25 0.00 -1.36 0.00 0.00 55.97 52.86 1qk3 s LYS 140 Cb 0.00 -2.08 -0.01 0.00 -1.68 0.00 0.00 37.83 34.06 1qk3 s LYS 140 CO 0.00 0.34 0.84 -1.01 -0.76 0.00 0.00 175.35 174.77 1qk3 s HIS 141 N -2.37 3.34 -0.06 3.18 3.76 -1.26 -0.38 115.29 121.50 1qk3 s HIS 141 Ca 0.31 1.18 0.06 0.00 -0.15 0.00 0.00 55.06 56.47 1qk3 s HIS 141 Cb -0.06 -3.05 -0.01 0.00 1.11 0.00 0.00 32.58 30.57 1qk3 s HIS 141 CO 0.19 -0.37 -0.24 0.08 -0.85 0.00 0.00 174.74 173.56 1qk3 s VAL 142 N 2.69 1.96 -0.18 -0.90 1.01 -0.54 -1.14 120.40 123.31 1qk3 s VAL 142 Ca 0.36 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1qk3 s VAL 142 Cb -0.16 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1qk3 s VAL 142 CO 0.08 0.55 -0.20 -0.22 0.00 0.00 0.00 175.10 175.31 1qk3 s LEU 143 N -0.10 2.11 -0.22 3.92 2.96 -0.38 -1.60 118.68 125.37 1qk3 s LEU 143 Ca -0.05 -0.64 -0.11 0.00 -0.22 0.00 0.00 54.13 53.11 1qk3 s LEU 143 Cb -0.14 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 1qk3 s LEU 143 CO 0.04 -0.00 0.19 -0.63 -1.32 0.00 0.00 176.35 174.62 1qk3 s ILE 144 N 1.30 5.35 -0.15 6.68 1.01 0.05 -0.48 121.20 134.96 1qk3 s ILE 144 Ca 0.05 0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 1qk3 s ILE 144 Cb -0.13 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 1qk3 s ILE 144 CO -0.13 0.36 -0.09 -0.69 0.00 0.00 0.00 174.94 174.39 1qk3 s VAL 145 N 0.86 3.31 -0.01 2.92 1.01 0.34 -0.96 120.40 127.86 1qk3 s VAL 145 Ca 0.09 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 61.54 1qk3 s VAL 145 Cb -0.13 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.82 1qk3 s VAL 145 CO 0.03 0.50 -0.08 -0.70 0.00 0.00 0.00 175.10 174.85 1qk3 s GLU 146 N 0.58 0.71 0.18 2.72 2.56 -0.57 -2.50 118.70 122.38 1qk3 s GLU 146 Ca -0.06 -0.29 -0.16 0.00 0.00 0.00 0.00 54.97 54.46 1qk3 s GLU 146 Cb -0.15 -0.69 0.13 0.00 2.00 0.00 0.00 34.13 35.43 1qk3 s GLU 146 CO 0.03 0.16 1.65 0.38 -0.56 0.00 0.00 175.26 176.93 1qk3 h ASP 147 N 6.03 -0.46 -5.01 -1.70 2.03 -1.84 -3.31 116.42 112.15 1qk3 h ASP 147 Ca -0.31 0.14 -0.09 0.00 -0.73 0.00 0.00 57.03 56.04 1qk3 h ASP 147 Cb 1.18 0.30 -0.18 0.00 -0.83 0.00 0.00 39.33 39.79 1qk3 h ASP 147 CO 0.50 -0.16 -0.13 -0.51 -1.03 0.00 0.00 179.24 177.90 1qk3 s ILE 148 N -6.21 0.05 -0.22 4.15 2.07 -1.26 -2.90 121.20 116.87 1qk3 s ILE 148 Ca -0.14 -0.40 -0.05 0.00 -1.41 0.00 0.00 60.65 58.65 1qk3 s ILE 148 Cb 0.16 -0.82 -0.02 0.00 0.13 0.00 0.00 42.46 41.90 1qk3 s ILE 148 CO 0.71 -0.22 0.00 -0.69 -1.91 0.00 0.00 174.94 172.83 1qk3 s VAL 149 N -1.81 3.83 0.00 4.00 1.01 -0.65 -5.01 120.40 121.78 1qk3 s VAL 149 Ca -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1qk3 s VAL 149 Cb -0.02 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1qk3 s VAL 149 CO 0.02 0.41 0.00 -0.67 0.00 0.00 0.00 175.10 174.86 1qk3 n ASP 150 N 4.57 0.00 0.09 3.32 -0.08 -1.26 -2.75 116.55 120.45 1qk3 n ASP 150 Ca -0.17 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.12 1qk3 n ASP 150 Cb 0.51 -0.01 -0.02 0.00 2.34 0.00 0.00 41.12 43.94 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 0.72 0.00 5.18 1.35 -1.96 -3.44 112.91 114.76 1qk3 h THR 151 Ca 0.00 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.72 1qk3 h THR 151 Cb 0.00 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.68 1qk3 h THR 151 CO 0.00 0.41 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 1qk3 n GLY 152 N 1.29 0.96 0.27 5.82 0.00 -1.26 -4.74 105.19 107.53 1qk3 n GLY 152 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1qk3 n GLY 152 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1qk3 h PHE 153 N 0.00 1.04 0.08 1.61 3.57 -1.99 -1.07 116.94 120.19 1qk3 h PHE 153 Ca 0.00 -0.23 0.02 0.00 3.53 0.00 0.00 57.97 61.29 1qk3 h PHE 153 Cb 0.00 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 1qk3 h PHE 153 CO 0.00 1.01 -0.20 1.15 -2.23 0.00 0.00 178.31 178.04 1qk3 h THR 154 N 0.77 0.54 0.00 4.41 2.02 -2.00 -1.93 112.91 116.72 1qk3 h THR 154 Ca 0.12 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.22 1qk3 h THR 154 Cb 0.68 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1qk3 h THR 154 CO 0.05 0.00 -0.37 -0.07 0.37 0.00 0.00 175.52 175.50 1qk3 h LEU 155 N -0.36 0.00 -0.05 2.58 3.38 -1.96 -2.16 115.31 116.73 1qk3 h LEU 155 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1qk3 h LEU 155 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1qk3 h LEU 155 CO -0.13 0.37 -0.01 0.74 0.09 0.00 0.00 178.44 179.49 1qk3 h THR 156 N 0.00 1.30 -0.23 0.22 2.02 -1.02 -0.62 112.91 114.58 1qk3 h THR 156 Ca -0.00 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 1qk3 h THR 156 Cb 0.83 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 1qk3 h THR 156 CO 0.05 0.25 0.12 -0.33 0.37 0.00 0.00 175.52 175.99 1qk3 h GLU 157 N -0.25 0.32 -0.46 6.66 3.07 -1.35 -2.51 114.58 120.06 1qk3 h GLU 157 Ca 0.01 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 58.75 1qk3 h GLU 157 Cb 0.41 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 1qk3 h GLU 157 CO 0.01 0.30 -0.04 0.35 -1.40 0.00 0.00 179.01 178.22 1qk3 h PHE 158 N 0.26 0.86 -0.83 4.33 3.57 -1.45 -2.86 116.94 120.81 1qk3 h PHE 158 Ca 0.08 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1qk3 h PHE 158 Cb 0.07 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1qk3 h PHE 158 CO -0.03 0.81 0.54 0.78 -2.23 0.00 0.00 178.31 178.18 1qk3 h GLY 159 N 0.98 1.18 1.77 2.40 0.00 -0.86 -1.46 103.07 107.07 1qk3 h GLY 159 Ca 0.14 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1qk3 h GLY 159 CO 0.03 0.44 -0.22 0.83 0.00 0.00 0.00 176.54 177.62 1qk3 h GLU 160 N 1.13 0.28 -0.29 4.80 4.39 -1.22 -1.22 114.58 122.45 1qk3 h GLU 160 Ca 0.30 -0.09 -0.17 0.00 0.34 0.00 0.00 59.36 59.75 1qk3 h GLU 160 Cb -0.11 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1qk3 h GLU 160 CO -0.06 0.49 -0.49 0.00 -1.16 0.00 0.00 179.01 177.79 1qk3 h ARG 161 N 0.25 0.81 -0.32 2.33 3.08 -1.31 -3.16 114.38 116.06 1qk3 h ARG 161 Ca 0.04 -0.48 -0.11 0.00 0.07 0.00 0.00 59.98 59.51 1qk3 h ARG 161 Cb 0.54 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.62 1qk3 h ARG 161 CO 0.04 1.11 -0.26 1.25 -1.07 0.00 0.00 179.97 181.03 1qk3 h LEU 162 N 0.63 0.67 -1.67 3.04 5.85 -0.91 -3.02 115.31 119.90 1qk3 h LEU 162 Ca 0.03 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1qk3 h LEU 162 Cb 1.07 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 1qk3 h LEU 162 CO 0.11 0.90 0.15 0.11 -0.34 0.00 0.00 178.44 179.38 1qk3 h LYS 163 N 0.57 0.37 -0.05 1.25 1.57 -1.24 -2.14 116.57 116.90 1qk3 h LYS 163 Ca 0.08 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1qk3 h LYS 163 Cb 0.74 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 1qk3 h LYS 163 CO 0.06 0.27 0.04 0.00 -0.57 0.00 0.00 179.45 179.26 1qk3 h ALA 164 N 1.79 1.85 -0.01 3.86 0.00 -1.49 -2.36 119.26 122.90 1qk3 h ALA 164 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qk3 h ALA 164 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1qk3 h ALA 164 CO -0.02 -0.07 -0.20 1.33 0.00 0.00 0.00 179.25 180.29 1qk3 n VAL 165 N -4.22 0.00 -2.36 0.00 0.24 -0.80 -4.99 118.33 106.19 1qk3 n VAL 165 Ca -0.02 -0.11 -0.07 0.00 -2.04 0.00 0.00 64.34 62.10 1qk3 n VAL 165 Cb 0.14 0.25 0.03 0.00 -1.47 0.00 0.00 33.84 32.79 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 1.32 0.04 3.73 7.63 0.00 -0.89 -4.18 105.19 112.84 1qk3 n GLY 166 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.89 1.50 0.10 1.61 0.04 -1.26 -1.51 135.00 131.58 1qk3 s PRO 167 Ca 0.14 0.89 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 1qk3 s PRO 167 Cb -0.02 -1.83 -0.18 0.00 0.04 0.00 0.00 34.50 32.51 1qk3 s PRO 167 CO 0.32 -2.09 1.25 -0.22 0.04 0.00 0.00 177.00 176.30 1qk3 h LYS 168 N -1.44 0.67 -2.57 4.56 3.64 -0.92 -3.43 116.57 117.08 1qk3 h LYS 168 Ca -0.48 -0.66 -0.07 0.00 -1.27 0.00 0.00 60.65 58.17 1qk3 h LYS 168 Cb 1.27 0.17 -0.18 0.00 -0.41 0.00 0.00 32.23 33.09 1qk3 h LYS 168 CO 0.54 1.26 0.04 -1.54 -2.27 0.00 0.00 179.45 177.48 1qk3 s SER 169 N -7.20 -0.48 -0.05 4.20 1.04 -1.13 -4.67 113.70 105.43 1qk3 s SER 169 Ca -0.09 0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.66 1qk3 s SER 169 Cb 0.08 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.71 1qk3 s SER 169 CO 0.91 -0.65 0.04 -0.04 0.98 0.00 0.00 173.24 174.48 1qk3 s MET 170 N -1.89 0.11 0.21 4.02 -1.94 -1.26 -1.47 119.30 117.08 1qk3 s MET 170 Ca -0.08 0.29 0.04 0.00 -1.71 0.00 0.00 55.69 54.23 1qk3 s MET 170 Cb -0.01 -0.62 -0.05 0.00 2.01 0.00 0.00 34.83 36.16 1qk3 s MET 170 CO 0.03 -0.31 -0.02 1.03 -0.01 0.00 0.00 175.02 175.73 1qk3 s ARG 171 N 2.05 1.27 -0.01 2.03 0.52 -0.63 -4.67 118.95 119.52 1qk3 s ARG 171 Ca 0.04 -1.63 0.06 0.00 -0.52 0.00 0.00 55.73 53.69 1qk3 s ARG 171 Cb -0.12 -0.60 -0.02 0.00 0.52 0.00 0.00 34.95 34.73 1qk3 s ARG 171 CO -0.04 -0.06 -0.20 0.42 0.02 0.00 0.00 175.30 175.44 1qk3 s ILE 172 N -3.41 1.60 -0.07 1.52 1.01 -1.26 -0.77 121.20 119.82 1qk3 s ILE 172 Ca 0.26 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1qk3 s ILE 172 Cb 0.05 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.18 1qk3 s ILE 172 CO 0.07 0.41 -0.17 0.00 0.00 0.00 0.00 174.94 175.25 1qk3 s ALA 173 N -0.53 1.61 -0.03 9.38 0.00 -0.14 -1.06 121.76 130.99 1qk3 s ALA 173 Ca 0.08 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.27 1qk3 s ALA 173 Cb -0.08 -0.63 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1qk3 s ALA 173 CO -0.00 0.21 0.27 -0.08 0.00 0.00 0.00 175.76 176.15 1qk3 s THR 174 N 0.41 0.05 0.10 0.00 -1.32 -0.74 -1.51 115.64 112.63 1qk3 s THR 174 Ca -0.13 -0.40 -0.14 0.00 -1.21 0.00 0.00 61.69 59.81 1qk3 s THR 174 Cb -0.15 -0.52 -0.11 0.00 -1.51 0.00 0.00 72.50 70.20 1qk3 s THR 174 CO 0.05 -0.22 1.36 0.25 -2.21 0.00 0.00 174.62 173.86 1qk3 h LEU 175 N 4.43 0.83 -7.99 9.08 5.85 -1.62 -1.92 115.31 123.97 1qk3 h LEU 175 Ca -0.29 -0.54 -0.27 0.00 0.84 0.00 0.00 57.88 57.62 1qk3 h LEU 175 Cb 1.18 -0.24 -0.25 0.00 0.37 0.00 0.00 40.66 41.73 1qk3 h LEU 175 CO 0.38 1.22 -0.73 -0.69 -0.34 0.00 0.00 178.44 178.28 1qk3 s VAL 176 N -4.08 0.36 0.00 1.05 1.01 -1.24 -0.89 120.40 116.61 1qk3 s VAL 176 Ca -0.12 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1qk3 s VAL 176 Cb 0.09 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 1qk3 s VAL 176 CO 0.86 -0.18 -0.20 -1.83 0.00 0.00 0.00 175.10 173.75 1qk3 s GLU 177 N -0.86 1.53 -0.05 2.72 -1.05 -0.18 -1.63 118.70 119.17 1qk3 s GLU 177 Ca -0.06 -0.78 -0.03 0.00 -0.15 0.00 0.00 54.97 53.95 1qk3 s GLU 177 Cb -0.06 -1.53 -0.04 0.00 -0.44 0.00 0.00 34.13 32.06 1qk3 s GLU 177 CO -0.00 0.41 0.10 0.15 0.95 0.00 0.00 175.26 176.87 1qk3 s LYS 178 N -0.70 3.22 -1.09 -4.83 1.02 -1.11 -1.85 119.74 114.41 1qk3 s LYS 178 Ca 0.07 -0.34 -0.18 0.00 0.02 0.00 0.00 55.97 55.54 1qk3 s LYS 178 Cb -0.08 -2.98 0.11 0.00 -0.52 0.00 0.00 37.83 34.36 1qk3 s LYS 178 CO 0.00 0.70 1.39 1.03 -0.92 0.00 0.00 175.35 177.55 1qk3 s ARG 179 N -1.42 3.79 0.74 1.68 0.52 -0.35 -4.95 118.95 118.96 1qk3 s ARG 179 Ca 0.20 -1.85 -0.06 0.00 -0.52 0.00 0.00 55.73 53.50 1qk3 s ARG 179 Cb -0.12 -5.18 0.10 0.00 0.52 0.00 0.00 34.95 30.27 1qk3 s ARG 179 CO 0.10 -1.97 1.04 0.95 0.02 0.00 0.00 175.30 175.44 1qk3 s THR 180 N 3.26 2.23 -0.93 0.02 -4.23 -1.26 -3.92 115.64 110.81 1qk3 s THR 180 Ca 0.42 -0.34 -0.24 0.00 -1.18 0.00 0.00 61.69 60.35 1qk3 s THR 180 Cb -0.01 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.96 1qk3 s THR 180 CO -0.04 0.00 1.55 -0.62 -0.54 0.00 0.00 174.62 174.97 1qk3 s ASP 181 N -4.63 6.10 0.11 3.99 -1.08 -1.26 -5.09 116.67 114.81 1qk3 s ASP 181 Ca 0.64 -1.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.64 1qk3 s ASP 181 Cb -0.08 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 1qk3 s ASP 181 CO 0.45 -1.86 0.00 -2.11 0.52 0.00 0.00 175.17 172.17 1qk3 n ARG 182 N 8.98 -2.05 0.00 4.34 0.00 -1.26 -5.26 116.66 121.42 1qk3 n ARG 182 Ca 0.29 1.46 0.00 0.00 -0.00 0.00 0.00 57.85 59.60 1qk3 n ARG 182 Cb 0.50 -1.91 0.00 0.00 -0.00 0.00 0.00 32.46 31.05 1qk3 n ARG 182 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1qk3 n SER 185 N 1.07 0.00 -4.54 2.89 2.88 -1.26 -5.21 113.62 109.45 1qk3 n SER 185 Ca 0.00 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 57.06 1qk3 n SER 185 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1qk3 n SER 185 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1qk3 n LEU 186 N 0.00 0.96 -4.04 2.46 7.94 -1.26 -4.93 117.00 118.12 1qk3 n LEU 186 Ca 0.00 1.15 -0.14 0.00 -1.11 0.00 0.00 56.01 55.91 1qk3 n LEU 186 Cb 0.00 -1.16 -0.12 0.00 0.53 0.00 0.00 43.42 42.66 1qk3 n LEU 186 CO 0.00 -1.69 -0.41 -0.54 -1.11 0.00 0.00 177.39 173.64 1qk3 s LYS 187 N -0.80 0.54 0.76 1.96 1.02 0.33 -4.89 119.74 118.66 1qk3 s LYS 187 Ca 0.69 -0.62 -0.06 0.00 0.02 0.00 0.00 55.97 55.99 1qk3 s LYS 187 Cb -0.85 -0.38 0.11 0.00 -0.52 0.00 0.00 37.83 36.18 1qk3 s LYS 187 CO 0.55 0.08 1.06 0.20 -0.92 0.00 0.00 175.35 176.33 1qk3 s GLY 188 N -1.19 1.74 -0.20 -3.33 0.00 -1.26 -3.81 107.32 99.28 1qk3 s GLY 188 Ca -0.06 -1.24 0.11 0.00 0.00 0.00 0.00 44.72 43.53 1qk3 s GLY 188 CO 0.00 -0.72 0.06 1.22 0.00 0.00 0.00 173.10 173.67 1qk3 n ASP 189 N -3.05 0.78 -3.91 1.64 8.00 -0.23 -4.42 116.55 115.37 1qk3 n ASP 189 Ca 0.12 0.01 -0.30 0.00 0.71 0.00 0.00 54.79 55.33 1qk3 n ASP 189 Cb 0.60 0.38 -0.15 0.00 -0.02 0.00 0.00 41.12 41.93 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 -2.51 3.02 -0.06 1.24 0.40 -0.32 -4.41 117.98 115.33 1qk3 s PHE 190 Ca -0.17 -2.61 0.06 0.00 -0.60 0.00 0.00 56.93 53.60 1qk3 s PHE 190 Cb 0.07 -2.50 -0.01 0.00 0.51 0.00 0.00 43.02 41.09 1qk3 s PHE 190 CO 0.76 -0.90 -0.24 0.08 0.70 0.00 0.00 175.22 175.61 1qk3 s VAL 191 N 1.00 2.00 -0.03 -0.44 1.01 -1.26 -1.80 120.40 120.88 1qk3 s VAL 191 Ca 0.11 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1qk3 s VAL 191 Cb -0.19 -1.70 -0.12 0.00 0.00 0.00 0.00 36.38 34.36 1qk3 s VAL 191 CO -0.12 0.56 0.83 1.23 0.00 0.00 0.00 175.10 177.60 1qk3 h GLY 192 N 6.20 -0.48 -4.39 4.51 0.00 -0.80 -3.37 103.07 104.74 1qk3 h GLY 192 Ca -0.30 0.18 -0.24 0.00 0.00 0.00 0.00 47.33 46.97 1qk3 h GLY 192 CO 0.47 -0.18 -0.72 -1.36 0.00 0.00 0.00 176.54 174.76 1qk3 s PHE 193 N -3.66 0.65 -0.23 5.60 0.40 -0.07 -1.81 117.98 118.85 1qk3 s PHE 193 Ca -0.11 -0.61 -0.04 0.00 -0.60 0.00 0.00 56.93 55.57 1qk3 s PHE 193 Cb 0.01 -0.39 -0.00 0.00 0.51 0.00 0.00 43.02 43.15 1qk3 s PHE 193 CO 0.37 -0.13 -0.04 0.45 0.70 0.00 0.00 175.22 176.58 1qk3 s SER 194 N -1.91 4.37 0.35 1.36 0.15 0.25 -1.01 113.70 117.25 1qk3 s SER 194 Ca -0.06 -0.51 0.06 0.00 0.70 0.00 0.00 55.95 56.14 1qk3 s SER 194 Cb -0.06 -1.74 -0.07 0.00 -1.71 0.00 0.00 66.02 62.44 1qk3 s SER 194 CO -0.01 -0.06 0.01 0.27 1.20 0.00 0.00 173.24 174.65 1qk3 s ILE 195 N 1.45 1.61 0.82 6.45 -4.36 -0.77 -1.20 121.20 125.20 1qk3 s ILE 195 Ca 0.05 -2.03 -0.12 0.00 -0.26 0.00 0.00 60.65 58.29 1qk3 s ILE 195 Cb -0.15 -2.80 0.08 0.00 1.25 0.00 0.00 42.46 40.85 1qk3 s ILE 195 CO -0.03 -0.07 1.10 -1.83 0.24 0.00 0.00 174.94 174.36 1qk3 s GLU 196 N -3.78 1.92 -1.19 0.37 -1.05 -1.26 -1.21 118.70 112.49 1qk3 s GLU 196 Ca 0.35 0.58 -0.22 0.00 -0.15 0.00 0.00 54.97 55.53 1qk3 s GLU 196 Cb 0.08 -1.90 -0.06 0.00 -0.44 0.00 0.00 34.13 31.81 1qk3 s GLU 196 CO 0.16 -1.72 1.90 0.34 0.95 0.00 0.00 175.26 176.88 1qk3 s ASP 197 N -3.92 5.35 0.10 0.83 3.68 -1.25 -4.57 116.67 116.89 1qk3 s ASP 197 Ca 0.61 -1.76 0.03 0.00 2.13 0.00 0.00 52.55 53.56 1qk3 s ASP 197 Cb -0.14 -2.59 -0.04 0.00 -1.45 0.00 0.00 42.92 38.70 1qk3 s ASP 197 CO 0.54 -2.73 -0.08 0.68 0.13 0.00 0.00 175.17 173.71 1qk3 s VAL 198 N 9.78 0.80 -0.20 1.11 -7.23 -1.26 -5.09 120.40 118.31 1qk3 s VAL 198 Ca 0.66 -1.74 -0.19 0.00 -1.81 0.00 0.00 61.98 58.90 1qk3 s VAL 198 Cb -0.00 -1.46 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 1qk3 s VAL 198 CO 0.12 -0.70 0.53 0.86 -0.31 0.00 0.00 175.10 175.59 1qk3 s TRP 199 N -2.94 3.37 0.22 2.82 -0.11 -1.26 -5.04 118.94 116.00 1qk3 s TRP 199 Ca 0.07 0.78 0.08 0.00 1.22 0.00 0.00 56.10 58.25 1qk3 s TRP 199 Cb 0.00 -2.68 -0.04 0.00 -1.50 0.00 0.00 33.47 29.25 1qk3 s TRP 199 CO -0.02 -0.12 0.03 0.96 -4.62 0.00 0.00 176.95 173.19 1qk3 s ILE 200 N 1.69 3.75 0.09 5.86 -4.36 -1.26 -0.83 121.20 126.14 1qk3 s ILE 200 Ca 0.24 -1.60 -0.04 0.00 -0.26 0.00 0.00 60.65 58.99 1qk3 s ILE 200 Cb -0.15 -2.96 -0.03 0.00 1.25 0.00 0.00 42.46 40.57 1qk3 s ILE 200 CO 0.10 -0.25 0.08 0.68 0.24 0.00 0.00 174.94 175.79 1qk3 s VAL 201 N -2.03 0.16 0.00 8.37 -7.23 0.15 -4.63 120.40 115.20 1qk3 s VAL 201 Ca 0.30 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1qk3 s VAL 201 Cb -0.08 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.23 1qk3 s VAL 201 CO 0.20 -0.71 0.00 0.61 -0.31 0.00 0.00 175.10 174.89 1qk3 n GLY 202 N -0.02 1.50 5.06 2.32 0.00 0.45 -0.98 105.19 113.53 1qk3 n GLY 202 Ca -0.12 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.02 0.45 0.32 0.00 1.51 -0.62 -4.60 117.35 112.39 1qk3 s TYR 205 Ca 0.28 -0.65 -0.07 0.00 -1.01 0.00 0.00 57.07 55.62 1qk3 s TYR 205 Cb 0.27 -0.30 0.01 0.00 -0.11 0.00 0.00 41.96 41.82 1qk3 s TYR 205 CO -0.03 -0.20 0.50 0.34 -1.11 0.00 0.00 175.55 175.05 1qk3 s ASP 206 N -1.88 0.51 -0.23 2.29 -1.08 -1.26 -0.41 116.67 114.61 1qk3 s ASP 206 Ca -0.08 -1.29 -0.03 0.00 -0.52 0.00 0.00 52.55 50.63 1qk3 s ASP 206 Cb -0.05 0.66 0.12 0.00 -1.46 0.00 0.00 42.92 42.18 1qk3 s ASP 206 CO -0.03 -1.29 0.30 0.12 0.52 0.00 0.00 175.17 174.79 1qk3 s PHE 207 N -3.26 -0.53 -1.40 -5.34 5.36 -1.26 -4.90 117.98 106.65 1qk3 s PHE 207 Ca 0.27 0.42 -0.08 0.00 -0.96 0.00 0.00 56.93 56.58 1qk3 s PHE 207 Cb -0.01 -0.22 0.05 0.00 -0.34 0.00 0.00 43.02 42.50 1qk3 s PHE 207 CO 0.16 -0.69 0.56 0.09 -1.46 0.00 0.00 175.22 173.88 1qk3 n ASN 208 N 5.34 -4.70 0.00 6.13 3.02 -1.26 -1.85 115.26 121.93 1qk3 n ASN 208 Ca -0.04 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.14 1qk3 n ASN 208 Cb 0.49 -3.84 0.00 0.00 -0.61 0.00 0.00 39.78 35.83 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 -3.90 -0.97 0.24 3.52 -0.58 -1.26 -4.86 120.64 112.83 1qk3 n GLU 209 Ca -0.05 0.24 0.08 0.00 -0.42 0.00 0.00 57.16 57.01 1qk3 n GLU 209 Cb 0.57 -4.50 0.59 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 0.27 0.00 -0.06 3.49 2.86 -1.78 -3.03 114.93 116.69 1qk3 h MET 210 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1qk3 h MET 210 Cb 0.48 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1qk3 h MET 210 CO 0.00 0.15 -0.39 1.19 1.06 0.00 0.00 176.91 178.92 1qk3 n PHE 211 N -4.11 0.18 0.24 -0.22 3.72 -1.26 -4.81 117.46 111.19 1qk3 n PHE 211 Ca -0.02 -1.47 0.07 0.00 -0.05 0.00 0.00 57.45 55.98 1qk3 n PHE 211 Cb 0.23 -0.28 0.60 0.00 -0.94 0.00 0.00 39.48 39.09 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 0.92 0.03 -0.30 -1.08 0.11 -1.87 -2.23 114.38 109.96 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 1.11 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.18 1qk3 h ARG 212 CO 0.06 0.06 0.00 -0.40 0.10 0.00 0.00 179.97 179.79 1qk3 n ASP 213 N -4.49 3.47 -4.61 0.08 5.75 -1.26 -4.97 116.55 110.52 1qk3 n ASP 213 Ca -0.03 -2.56 -0.41 0.00 -0.01 0.00 0.00 54.79 51.78 1qk3 n ASP 213 Cb 0.12 -0.40 -0.06 0.00 -1.03 0.00 0.00 41.12 39.75 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 -2.00 3.22 -2.20 2.11 5.36 -0.84 -4.76 117.98 118.86 1qk3 s PHE 214 Ca 0.34 0.67 0.20 0.00 -0.96 0.00 0.00 56.93 57.18 1qk3 s PHE 214 Cb 0.24 -3.04 0.84 0.00 -0.34 0.00 0.00 43.02 40.72 1qk3 s PHE 214 CO 0.12 -0.49 1.59 -0.25 -1.46 0.00 0.00 175.22 174.73 1qk3 n ASP 215 N 5.96 1.21 -4.47 6.13 10.43 -1.26 -0.79 116.55 133.77 1qk3 n ASP 215 Ca 0.00 -1.63 -0.23 0.00 2.57 0.00 0.00 54.79 55.50 1qk3 n ASP 215 Cb 0.49 -0.08 -0.10 0.00 1.84 0.00 0.00 41.12 43.27 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 -1.85 2.13 -0.14 1.24 3.76 -1.26 -3.72 115.29 115.45 1qk3 s HIS 216 Ca 0.31 -0.57 -0.11 0.00 -0.15 0.00 0.00 55.06 54.53 1qk3 s HIS 216 Cb 0.16 -1.16 -0.05 0.00 1.11 0.00 0.00 32.58 32.64 1qk3 s HIS 216 CO 0.25 0.45 0.23 0.08 -0.85 0.00 0.00 174.74 174.90 1qk3 s VAL 217 N -2.80 5.34 0.24 -0.90 1.01 0.32 -2.92 120.40 120.69 1qk3 s VAL 217 Ca 0.30 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.71 1qk3 s VAL 217 Cb 0.02 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.80 1qk3 s VAL 217 CO 0.13 0.48 0.09 0.00 0.00 0.00 0.00 175.10 175.81 1qk3 s ALA 218 N -0.11 1.61 0.21 5.51 0.00 -0.15 -0.41 121.76 128.42 1qk3 s ALA 218 Ca 0.15 -1.82 -0.30 0.00 0.00 0.00 0.00 51.96 49.99 1qk3 s ALA 218 Cb -0.13 1.06 -0.08 0.00 0.00 0.00 0.00 23.12 23.97 1qk3 s ALA 218 CO 0.04 -0.47 0.98 0.08 0.00 0.00 0.00 175.76 176.39 1qk3 s VAL 219 N -3.81 4.06 -0.14 0.00 1.01 -1.26 -0.67 120.40 119.60 1qk3 s VAL 219 Ca 0.37 1.96 -0.29 0.00 0.00 0.00 0.00 61.98 64.02 1qk3 s VAL 219 Cb 0.08 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1qk3 s VAL 219 CO 0.13 0.42 1.69 -0.22 0.00 0.00 0.00 175.10 177.12 1qk3 s LEU 220 N -0.89 4.07 0.66 3.92 2.96 -0.01 -4.83 118.68 124.55 1qk3 s LEU 220 Ca 0.44 1.95 -0.11 0.00 -0.22 0.00 0.00 54.13 56.19 1qk3 s LEU 220 Cb -0.27 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.88 1qk3 s LEU 220 CO 0.33 -1.16 1.05 -0.94 -1.32 0.00 0.00 176.35 174.31 1qk3 s SER 221 N 4.17 5.83 0.40 3.68 1.04 -1.26 -4.87 113.70 122.68 1qk3 s SER 221 Ca 0.75 1.43 0.14 0.00 0.48 0.00 0.00 55.95 58.76 1qk3 s SER 221 Cb -0.30 -2.39 0.84 0.00 0.10 0.00 0.00 66.02 64.27 1qk3 s SER 221 CO 0.30 -1.13 1.88 -0.78 0.98 0.00 0.00 173.24 174.49 1qk3 h ASP 222 N -0.50 0.00 -0.36 7.02 3.58 -1.94 0.55 116.42 124.78 1qk3 h ASP 222 Ca -0.44 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 1qk3 h ASP 222 Cb 1.21 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 1qk3 h ASP 222 CO 0.61 0.31 0.20 0.00 -2.88 0.00 0.00 179.24 177.47 1qk3 h ALA 223 N 1.69 0.46 -0.01 -0.78 0.00 -1.94 0.11 119.26 118.79 1qk3 h ALA 223 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1qk3 h ALA 223 Cb 0.56 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1qk3 h ALA 223 CO 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1qk3 h ALA 224 N 1.06 0.01 -0.41 0.00 0.00 -1.74 -2.86 119.26 115.32 1qk3 h ALA 224 Ca 0.13 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1qk3 h ALA 224 Cb 0.06 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1qk3 h ALA 224 CO -0.02 -0.42 0.06 -0.09 0.00 0.00 0.00 179.25 178.79 1qk3 h ARG 225 N -0.12 0.18 0.00 0.00 2.43 -0.54 -1.98 114.38 114.35 1qk3 h ARG 225 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1qk3 h ARG 225 Cb 0.14 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1qk3 h ARG 225 CO -0.00 0.12 0.00 0.87 -1.51 0.00 0.00 179.97 179.45 1qk3 h LYS 226 N 0.19 0.00 0.00 0.20 1.57 -0.81 0.82 116.57 118.54 1qk3 h LYS 226 Ca 0.20 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1qk3 h LYS 226 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1qk3 h LYS 226 CO -0.28 0.00 -0.13 1.57 -0.57 0.00 0.00 179.45 180.04 1qk3 h LYS 227 N 0.00 0.00 0.00 3.15 -0.00 -1.11 -3.32 116.57 115.29 1qk3 h LYS 227 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1qk3 h LYS 227 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.50 1qk3 h LYS 227 CO 0.00 0.13 -0.74 1.19 -0.00 0.00 0.00 179.45 180.03 1qk3 n PHE 228 N -3.57 0.00 -0.18 0.07 3.01 -0.80 -5.14 117.46 110.84 1qk3 n PHE 228 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1qk3 n PHE 228 Cb 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 1qk3 n PHE 228 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16