#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qk3 h ALA 2 N 0.00 1.08 -2.93 -5.12 0.00 -1.84 -3.46 119.26 106.99 1qk3 h ALA 2 Ca 0.00 -0.29 -0.54 0.00 0.00 0.00 0.00 54.91 54.07 1qk3 h ALA 2 Cb 0.00 -0.05 0.12 0.00 0.00 0.00 0.00 17.79 17.85 1qk3 h ALA 2 CO 0.00 0.40 0.73 0.43 0.00 0.00 0.00 179.25 180.81 1qk3 n SER 3 N -3.59 3.55 -3.62 0.00 7.64 -1.26 -4.90 113.62 111.43 1qk3 n SER 3 Ca -0.01 1.18 -0.03 0.00 1.01 0.00 0.00 58.87 61.02 1qk3 n SER 3 Cb 0.45 -1.61 -0.06 0.00 -1.01 0.00 0.00 64.21 61.98 1qk3 n SER 3 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1qk3 s LYS 4 N -2.23 0.48 0.25 1.43 2.20 -1.26 -5.13 119.74 115.47 1qk3 s LYS 4 Ca 0.57 0.87 -0.31 0.00 -0.36 0.00 0.00 55.97 56.74 1qk3 s LYS 4 Cb -0.47 0.17 -0.13 0.00 -1.51 0.00 0.00 37.83 35.89 1qk3 s LYS 4 CO 0.61 -0.11 1.49 -2.30 -0.36 0.00 0.00 175.35 174.69 1qk3 n PRO 5 N 4.09 2.28 -0.27 4.03 -0.02 -1.26 -4.64 135.00 139.21 1qk3 n PRO 5 Ca -0.18 0.81 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 1qk3 n PRO 5 Cb 0.57 -2.53 0.36 0.00 -0.02 0.00 0.00 33.50 31.89 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 3.22 0.86 0.00 4.25 1.08 -1.94 -1.66 117.51 123.32 1qk3 h ILE 6 Ca -0.46 -0.25 0.00 0.00 -0.39 0.00 0.00 64.86 63.77 1qk3 h ILE 6 Cb 1.25 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1qk3 h ILE 6 CO 0.79 0.13 0.00 -1.84 -0.69 0.00 0.00 178.15 176.54 1qk3 n GLU 7 N -4.56 0.00 0.00 2.37 0.00 -1.26 -1.70 120.64 115.49 1qk3 n GLU 7 Ca 0.17 0.34 0.14 0.00 0.00 0.00 0.00 57.16 57.81 1qk3 n GLU 7 Cb 0.44 -1.51 0.59 0.00 0.00 0.00 0.00 31.44 30.97 1qk3 n GLU 7 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1qk3 n ASP 8 N -1.51 0.81 -4.67 -1.84 8.00 -0.62 -4.89 116.55 111.83 1qk3 n ASP 8 Ca 0.02 -0.98 -0.47 0.00 0.71 0.00 0.00 54.79 54.07 1qk3 n ASP 8 Cb 0.11 -0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.17 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 -0.56 2.21 -0.38 1.24 9.36 -0.69 -1.43 117.16 126.91 1qk3 n TYR 9 Ca 0.17 0.25 0.00 0.00 3.32 0.00 0.00 57.90 61.64 1qk3 n TYR 9 Cb 0.29 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.45 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 3.57 1.44 0.11 2.98 0.00 -1.26 -4.91 105.19 107.13 1qk3 n GLY 10 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1qk3 n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1qk3 h LYS 11 N 3.12 0.00 -2.53 1.61 1.57 -1.42 0.10 116.57 119.02 1qk3 h LYS 11 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1qk3 h LYS 11 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1qk3 h LYS 11 CO 0.00 0.00 -0.39 0.41 -0.57 0.00 0.00 179.45 178.90 1qk3 n GLY 12 N 1.20 -0.21 3.69 3.86 0.00 -1.26 -4.82 105.19 107.66 1qk3 n GLY 12 Ca 0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -4.96 4.34 -0.33 1.61 2.20 -1.26 -2.95 119.74 118.38 1qk3 s LYS 13 Ca 0.08 1.82 0.00 0.00 -0.36 0.00 0.00 55.97 57.51 1qk3 s LYS 13 Cb -0.04 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1qk3 s LYS 13 CO 0.10 -0.46 0.00 0.41 -0.36 0.00 0.00 175.35 175.04 1qk3 n GLY 14 N 3.45 0.62 3.82 5.54 0.00 -1.26 -5.02 105.19 112.34 1qk3 n GLY 14 Ca 0.11 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.76 2.41 -0.28 1.61 1.70 -1.15 -5.02 118.95 116.46 1qk3 s ARG 15 Ca 0.00 0.70 -0.23 0.00 -0.47 0.00 0.00 55.73 55.73 1qk3 s ARG 15 Cb 0.00 -1.95 -0.01 0.00 -0.57 0.00 0.00 34.95 32.42 1qk3 s ARG 15 CO 0.00 -1.41 0.75 0.42 -1.08 0.00 0.00 175.30 173.99 1qk3 s ILE 16 N -3.15 4.85 0.71 4.99 1.01 -1.26 -5.03 121.20 123.32 1qk3 s ILE 16 Ca 0.60 1.23 -0.16 0.00 0.00 0.00 0.00 60.65 62.31 1qk3 s ILE 16 Cb -0.14 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.25 1qk3 s ILE 16 CO 0.54 -0.15 1.02 -0.62 0.00 0.00 0.00 174.94 175.73 1qk3 n GLU 17 N 6.04 0.58 -1.46 2.79 -0.58 -1.26 -4.71 120.64 122.05 1qk3 n GLU 17 Ca 0.03 0.26 -0.30 0.00 -0.42 0.00 0.00 57.16 56.73 1qk3 n GLU 17 Cb 0.48 -2.27 0.11 0.00 -0.57 0.00 0.00 31.44 29.19 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 -3.34 1.79 0.16 3.49 0.04 -1.26 -4.97 135.00 130.91 1qk3 s PRO 18 Ca 0.75 0.66 -0.31 0.00 0.04 0.00 0.00 61.00 62.13 1qk3 s PRO 18 Cb -0.35 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 1qk3 s PRO 18 CO 0.49 -1.83 1.59 1.41 0.04 0.00 0.00 177.00 178.70 1qk3 s MET 19 N -5.11 4.20 -0.21 4.56 -2.45 -0.84 -4.72 119.30 114.74 1qk3 s MET 19 Ca 0.62 2.38 -0.18 0.00 -1.25 0.00 0.00 55.69 57.26 1qk3 s MET 19 Cb -0.15 -3.20 -0.03 0.00 1.25 0.00 0.00 34.83 32.69 1qk3 s MET 19 CO 0.55 -0.64 0.51 -0.47 1.05 0.00 0.00 175.02 176.03 1qk3 s TYR 20 N 1.33 3.36 -0.38 4.11 5.04 -1.26 -1.12 117.35 128.43 1qk3 s TYR 20 Ca 0.71 0.75 -0.10 0.00 -2.44 0.00 0.00 57.07 55.99 1qk3 s TYR 20 Cb -0.44 -2.67 0.04 0.00 0.35 0.00 0.00 41.96 39.24 1qk3 s TYR 20 CO 0.31 -0.12 0.21 0.42 -1.34 0.00 0.00 175.55 175.03 1qk3 s ILE 21 N 1.72 4.40 0.81 3.14 -1.09 -0.36 -4.96 121.20 124.85 1qk3 s ILE 21 Ca 0.24 -1.03 -0.13 0.00 -2.23 0.00 0.00 60.65 57.50 1qk3 s ILE 21 Cb -0.15 -3.52 0.08 0.00 -1.58 0.00 0.00 42.46 37.29 1qk3 s ILE 21 CO 0.09 -0.30 1.17 -2.84 -1.23 0.00 0.00 174.94 171.84 1qk3 s PRO 22 N 1.51 1.69 0.51 2.79 0.02 -1.26 -4.32 135.00 135.94 1qk3 s PRO 22 Ca 0.02 1.62 -0.22 0.00 0.02 0.00 0.00 61.00 62.44 1qk3 s PRO 22 Cb -0.20 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.45 1qk3 s PRO 22 CO 0.05 -2.14 1.07 -0.25 -0.33 0.00 0.00 177.00 175.39 1qk3 n ASP 23 N -3.41 1.40 -4.04 2.53 9.92 -1.26 -3.11 116.55 118.58 1qk3 n ASP 23 Ca 0.12 0.94 -0.27 0.00 -0.53 0.00 0.00 54.79 55.05 1qk3 n ASP 23 Cb 0.51 -1.42 -0.04 0.00 -0.64 0.00 0.00 41.12 39.54 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 -0.25 -0.36 -4.08 -2.24 5.15 -1.26 -4.96 115.26 107.26 1qk3 n ASN 24 Ca 0.11 -1.06 -0.32 0.00 -0.60 0.00 0.00 54.58 52.71 1qk3 n ASN 24 Cb 0.43 -2.76 -0.16 0.00 -0.53 0.00 0.00 39.78 36.76 1qk3 n ASN 24 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1qk3 s THR 25 N -3.97 1.90 0.20 -0.44 2.01 -1.18 -5.12 115.64 109.04 1qk3 s THR 25 Ca 0.07 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 1qk3 s THR 25 Cb -0.04 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1qk3 s THR 25 CO 0.91 0.47 0.15 -0.36 -0.69 0.00 0.00 174.62 175.10 1qk3 s PHE 26 N 1.34 1.08 0.17 4.92 0.40 -1.26 -4.87 117.98 119.76 1qk3 s PHE 26 Ca 0.04 -1.32 0.09 0.00 -0.60 0.00 0.00 56.93 55.14 1qk3 s PHE 26 Cb -0.13 -0.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.86 1qk3 s PHE 26 CO -0.12 -0.66 -0.14 0.71 0.70 0.00 0.00 175.22 175.71 1qk3 s TYR 27 N -4.14 2.55 -0.02 0.36 1.51 0.47 -4.96 117.35 113.12 1qk3 s TYR 27 Ca 0.37 -0.26 -0.30 0.00 -1.01 0.00 0.00 57.07 55.87 1qk3 s TYR 27 Cb 0.06 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 1qk3 s TYR 27 CO 0.11 0.48 1.17 1.21 -1.11 0.00 0.00 175.55 177.41 1qk3 s ASN 28 N -2.63 7.10 0.50 2.29 3.84 -1.26 -1.48 114.94 123.30 1qk3 s ASN 28 Ca 0.22 1.85 0.24 0.00 0.21 0.00 0.00 52.86 55.38 1qk3 s ASN 28 Cb -0.09 -2.57 1.33 0.00 -0.55 0.00 0.00 41.25 39.38 1qk3 s ASN 28 CO 0.13 -0.51 2.05 0.00 -2.79 0.00 0.00 177.10 175.98 1qk3 h ALA 29 N 7.19 1.39 0.00 1.71 0.00 -1.83 -1.97 119.26 125.75 1qk3 h ALA 29 Ca -0.37 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1qk3 h ALA 29 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1qk3 h ALA 29 CO 0.85 0.17 0.00 -0.44 0.00 0.00 0.00 179.25 179.83 1qk3 h ASP 30 N 0.00 0.00 0.62 0.00 3.32 -1.92 -2.17 116.42 116.27 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 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1qk3 h ASP 30 CO 0.02 0.00 -0.08 0.47 -1.72 0.00 0.00 179.24 177.93 1qk3 n ASP 31 N -2.74 0.18 -4.40 6.45 8.00 -0.74 -4.91 116.55 118.39 1qk3 n ASP 31 Ca -0.01 -0.11 -0.20 0.00 0.71 0.00 0.00 54.79 55.18 1qk3 n ASP 31 Cb 0.15 -0.23 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 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 -2.70 1.89 -0.33 1.24 0.08 -0.82 -5.11 117.98 112.24 1qk3 s PHE 32 Ca 0.23 -0.65 -0.29 0.00 0.12 0.00 0.00 56.93 56.35 1qk3 s PHE 32 Cb 0.20 -1.01 0.01 0.00 -0.57 0.00 0.00 43.02 41.65 1qk3 s PHE 32 CO 0.51 0.32 1.13 -1.17 -0.10 0.00 0.00 175.22 175.91 1qk3 s LEU 33 N -3.41 3.90 -0.02 -0.37 2.96 -1.26 -5.02 118.68 115.46 1qk3 s LEU 33 Ca 0.27 1.04 0.05 0.00 -0.22 0.00 0.00 54.13 55.28 1qk3 s LEU 33 Cb 0.02 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.16 1qk3 s LEU 33 CO 0.10 -0.95 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.33 1qk3 s VAL 34 N 3.85 1.30 0.30 1.68 1.01 -1.26 -4.86 120.40 122.42 1qk3 s VAL 34 Ca 0.48 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.46 1qk3 s VAL 34 Cb -0.13 -1.09 -0.12 0.00 0.00 0.00 0.00 36.38 35.05 1qk3 s VAL 34 CO 0.18 0.37 1.56 -2.65 0.00 0.00 0.00 175.10 174.56 1qk3 n PRO 35 N 2.75 2.61 -0.21 2.72 -0.02 -1.26 -4.89 135.00 136.70 1qk3 n PRO 35 Ca -0.15 0.93 0.06 0.00 -2.02 0.00 0.00 63.50 62.32 1qk3 n PRO 35 Cb 0.54 -2.69 0.33 0.00 -0.02 0.00 0.00 33.50 31.67 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 4.52 0.78 0.00 0.52 0.11 -2.00 -0.92 132.00 135.00 1qk3 h PRO 36 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1qk3 h PRO 36 Cb 1.23 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1qk3 h PRO 36 CO 0.77 0.51 0.00 1.12 -0.21 0.00 0.00 178.00 180.20 1qk3 h HIS 37 N 0.80 0.00 0.00 0.65 2.07 -2.00 -2.18 115.15 114.49 1qk3 h HIS 37 Ca 0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.86 1qk3 h HIS 37 Cb 0.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.27 1qk3 h HIS 37 CO -0.00 0.00 -0.99 0.00 -3.07 0.00 0.00 177.93 173.87 1qk3 h LYS 39 N 0.00 0.88 0.00 0.00 1.57 -1.00 0.79 116.57 118.81 1qk3 h LYS 39 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1qk3 h LYS 39 Cb 0.71 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1qk3 h LYS 39 CO 0.00 0.58 0.00 -1.35 -0.57 0.00 0.00 179.45 178.11 1qk3 h PRO 40 N 0.91 0.00 -0.17 3.15 0.11 -1.80 -2.94 132.00 131.24 1qk3 h PRO 40 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 1qk3 h PRO 40 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1qk3 h PRO 40 CO -0.26 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.19 1qk3 n TYR 41 N -2.47 0.22 -3.66 0.65 4.02 0.26 -4.90 117.16 111.28 1qk3 n TYR 41 Ca 0.01 -0.21 -0.28 0.00 -0.01 0.00 0.00 57.90 57.41 1qk3 n TYR 41 Cb 0.19 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.34 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 -1.04 0.28 -0.06 -0.72 -1.09 -1.11 -4.50 121.20 112.96 1qk3 s ILE 42 Ca 0.20 -0.63 0.10 0.00 -2.23 0.00 0.00 60.65 58.09 1qk3 s ILE 42 Cb 0.12 -1.00 -0.14 0.00 -1.58 0.00 0.00 42.46 39.86 1qk3 s ILE 42 CO 0.17 -0.41 0.13 -0.67 -1.23 0.00 0.00 174.94 172.92 1qk3 n ASP 43 N 5.12 2.50 -4.19 3.58 -0.08 -1.26 -4.85 116.55 117.37 1qk3 n ASP 43 Ca -0.07 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.02 1qk3 n ASP 43 Cb 0.46 1.08 -0.12 0.00 2.34 0.00 0.00 41.12 44.87 1qk3 n ASP 43 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1qk3 s LYS 44 N -2.47 0.90 -0.09 -0.67 1.02 -1.26 -2.60 119.74 114.56 1qk3 s LYS 44 Ca -0.05 -0.96 0.02 0.00 0.02 0.00 0.00 55.97 55.00 1qk3 s LYS 44 Cb 0.05 -0.95 -0.02 0.00 -0.52 0.00 0.00 37.83 36.38 1qk3 s LYS 44 CO 0.43 0.22 -0.13 0.42 -0.92 0.00 0.00 175.35 175.37 1qk3 s ILE 45 N -1.17 3.15 -0.15 2.17 1.01 -0.55 -4.57 121.20 121.08 1qk3 s ILE 45 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.86 1qk3 s ILE 45 Cb -0.10 -2.28 -0.10 0.00 0.01 0.00 0.00 42.46 40.00 1qk3 s ILE 45 CO 0.02 0.56 0.11 0.25 0.00 0.00 0.00 174.94 175.88 1qk3 h LEU 46 N 5.93 0.00 -7.58 2.97 5.85 -1.21 0.14 115.31 121.40 1qk3 h LEU 46 Ca -0.38 -0.28 -0.60 0.00 0.84 0.00 0.00 57.88 57.47 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 0.53 0.91 -0.78 -0.76 -0.34 0.00 0.00 178.44 178.00 1qk3 s LEU 47 N -8.22 2.44 0.54 2.25 1.43 -0.85 -4.75 118.68 111.52 1qk3 s LEU 47 Ca -0.15 -1.16 -0.22 0.00 -1.03 0.00 0.00 54.13 51.57 1qk3 s LEU 47 Cb 0.02 -1.11 -0.06 0.00 0.03 0.00 0.00 46.19 45.07 1qk3 s LEU 47 CO 0.33 -0.25 1.24 -2.65 0.23 0.00 0.00 176.35 175.25 1qk3 n PRO 48 N 4.71 1.51 0.24 1.29 -0.02 -1.26 -1.29 135.00 140.17 1qk3 n PRO 48 Ca -0.11 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.03 1qk3 n PRO 48 Cb 0.44 -2.43 0.70 0.00 -0.02 0.00 0.00 33.50 32.19 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 1.28 0.00 2.00 -1.23 0.00 -1.92 -0.88 103.07 102.33 1qk3 h GLY 49 Ca -0.50 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.68 1qk3 h GLY 49 CO 0.56 0.00 -0.72 -1.33 0.00 0.00 0.00 176.54 175.05 1qk3 h GLY 50 N 0.00 0.00 1.26 4.60 0.00 -1.90 -1.57 103.07 105.46 1qk3 h GLY 50 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 1qk3 h GLY 50 CO -0.00 0.00 -0.36 -2.00 0.00 0.00 0.00 176.54 174.18 1qk3 h LEU 51 N 0.00 0.87 -0.14 3.11 5.85 -1.57 -1.01 115.31 122.43 1qk3 h LEU 51 Ca -0.01 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.36 1qk3 h LEU 51 Cb 1.30 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1qk3 h LEU 51 CO 0.09 1.14 -0.03 0.58 -0.34 0.00 0.00 178.44 179.88 1qk3 h VAL 52 N 0.68 0.87 -0.84 1.05 2.07 -0.97 -1.78 116.25 117.33 1qk3 h VAL 52 Ca 0.06 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1qk3 h VAL 52 Cb 0.92 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1qk3 h VAL 52 CO 0.09 0.00 0.54 0.11 0.02 0.00 0.00 177.57 178.33 1qk3 h LYS 53 N 0.00 1.12 -0.69 1.57 1.57 -1.11 -0.69 116.57 118.34 1qk3 h LYS 53 Ca 0.06 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 1qk3 h LYS 53 Cb 0.10 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 1qk3 h LYS 53 CO -0.14 0.75 0.25 -0.44 -0.57 0.00 0.00 179.45 179.31 1qk3 h ASP 54 N 1.14 0.96 0.25 0.86 3.32 -0.97 -1.46 116.42 120.52 1qk3 h ASP 54 Ca 0.31 -0.15 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 1qk3 h ASP 54 Cb -0.10 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1qk3 h ASP 54 CO -0.06 0.87 -0.67 0.03 -1.72 0.00 0.00 179.24 177.69 1qk3 h ARG 55 N 1.01 0.38 -0.50 3.56 2.47 -1.02 -2.54 114.38 117.74 1qk3 h ARG 55 Ca 0.23 -0.28 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 1qk3 h ARG 55 Cb 0.23 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.58 1qk3 h ARG 55 CO -0.02 0.91 0.02 0.28 0.56 0.00 0.00 179.97 181.73 1qk3 h VAL 56 N 0.27 1.24 -0.78 2.04 2.07 -0.73 -0.47 116.25 119.89 1qk3 h VAL 56 Ca -0.02 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 1qk3 h VAL 56 Cb 1.22 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 1qk3 h VAL 56 CO 0.11 0.35 0.44 -0.08 0.02 0.00 0.00 177.57 178.41 1qk3 h GLU 57 N 0.76 1.08 -0.19 1.57 4.81 -1.19 -0.79 114.58 120.63 1qk3 h GLU 57 Ca 0.15 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1qk3 h GLU 57 Cb 0.43 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1qk3 h GLU 57 CO 0.02 0.79 -0.04 -0.22 -0.73 0.00 0.00 179.01 178.83 1qk3 h LYS 58 N 1.08 0.36 -0.68 1.92 1.63 -1.05 -2.17 116.57 117.66 1qk3 h LYS 58 Ca 0.28 -0.13 0.05 0.00 -0.85 0.00 0.00 60.65 60.00 1qk3 h LYS 58 Cb 0.01 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.57 1qk3 h LYS 58 CO -0.05 0.61 0.39 -0.07 -3.45 0.00 0.00 179.45 176.88 1qk3 h LEU 59 N 0.08 0.59 -0.71 5.20 3.38 -0.93 -0.93 115.31 122.00 1qk3 h LEU 59 Ca 0.05 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1qk3 h LEU 59 Cb 0.47 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 1qk3 h LEU 59 CO 0.02 0.38 0.44 0.00 0.09 0.00 0.00 178.44 179.37 1qk3 h ALA 60 N 1.34 0.92 -0.28 1.53 0.00 -0.94 0.51 119.26 122.34 1qk3 h ALA 60 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1qk3 h ALA 60 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1qk3 h ALA 60 CO -0.17 0.22 0.18 -0.92 0.00 0.00 0.00 179.25 178.56 1qk3 h TYR 61 N 0.87 0.36 -0.74 0.00 3.20 -1.02 -1.02 116.97 118.61 1qk3 h TYR 61 Ca 0.28 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.24 1qk3 h TYR 61 Cb 0.01 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.10 1qk3 h TYR 61 CO -0.04 0.24 0.41 -0.44 -1.64 0.00 0.00 178.16 176.69 1qk3 h ASP 62 N 0.37 0.59 -0.57 -2.11 3.32 -0.52 -1.89 116.42 115.60 1qk3 h ASP 62 Ca 0.10 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1qk3 h ASP 62 Cb -0.03 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1qk3 h ASP 62 CO -0.02 0.36 0.03 0.40 -1.72 0.00 0.00 179.24 178.29 1qk3 h ILE 63 N 0.72 1.26 -0.53 0.35 2.04 -0.72 -2.36 117.51 118.28 1qk3 h ILE 63 Ca 0.35 -1.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.10 1qk3 h ILE 63 Cb 0.29 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1qk3 h ILE 63 CO -0.22 0.39 0.20 -0.74 0.00 0.00 0.00 178.15 177.78 1qk3 h HIS 64 N 0.88 0.76 -0.26 1.37 2.76 -0.77 -1.95 115.15 117.94 1qk3 h HIS 64 Ca 0.17 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1qk3 h HIS 64 Cb 0.50 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.22 1qk3 h HIS 64 CO 0.04 0.60 -0.06 -0.09 -1.30 0.00 0.00 177.93 177.11 1qk3 h ARG 65 N 0.75 0.50 -0.70 5.26 2.43 -1.19 -1.16 114.38 120.27 1qk3 h ARG 65 Ca 0.18 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1qk3 h ARG 65 Cb 0.16 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1qk3 h ARG 65 CO -0.02 0.72 0.45 1.15 -1.51 0.00 0.00 179.97 180.76 1qk3 h THR 66 N 0.25 1.19 -0.50 0.20 2.02 -1.05 -3.20 112.91 111.81 1qk3 h THR 66 Ca 0.07 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1qk3 h THR 66 Cb 0.53 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 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 -4.58 0.82 -1.65 3.16 4.02 -0.77 -2.46 117.16 115.72 1qk3 n TYR 67 Ca 0.06 -0.55 -0.49 0.00 -0.01 0.00 0.00 57.90 56.91 1qk3 n TYR 67 Cb 0.03 -0.08 -0.05 0.00 -0.02 0.00 0.00 39.34 39.22 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 0.85 2.03 -0.35 -0.72 7.35 -0.44 -0.78 117.46 125.40 1qk3 n PHE 68 Ca 0.19 0.36 0.00 0.00 -0.76 0.00 0.00 57.45 57.24 1qk3 n PHE 68 Cb 0.60 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.94 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 3.37 1.96 3.92 7.13 0.00 -1.26 -5.00 105.19 115.31 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 -0.12 3.32 -0.19 1.61 0.41 0.04 -4.80 118.70 118.96 1qk3 s GLU 70 Ca 0.00 -0.69 -0.29 0.00 -0.41 0.00 0.00 54.97 53.58 1qk3 s GLU 70 Cb 0.00 -2.88 -0.00 0.00 -1.78 0.00 0.00 34.13 29.47 1qk3 s GLU 70 CO 0.00 0.50 1.16 -2.00 -0.49 0.00 0.00 175.26 174.42 1qk3 s GLU 71 N -3.34 4.26 -0.07 1.61 2.12 -1.26 -4.76 118.70 117.25 1qk3 s GLU 71 Ca 0.34 1.53 0.04 0.00 0.36 0.00 0.00 54.97 57.23 1qk3 s GLU 71 Cb -0.10 -3.70 -0.02 0.00 0.26 0.00 0.00 34.13 30.57 1qk3 s GLU 71 CO 0.27 -0.65 -0.18 -1.17 -0.54 0.00 0.00 175.26 172.99 1qk3 s LEU 72 N 3.27 2.47 -0.23 2.70 2.96 -1.26 -4.31 118.68 124.27 1qk3 s LEU 72 Ca 0.50 -0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.08 1qk3 s LEU 72 Cb -0.19 -1.49 0.04 0.00 0.50 0.00 0.00 46.19 45.05 1qk3 s LEU 72 CO 0.11 0.27 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.29 1qk3 s HIS 73 N -0.31 3.06 -0.25 5.38 3.76 -0.69 -1.03 115.29 125.20 1qk3 s HIS 73 Ca 0.02 -1.91 -0.10 0.00 -0.15 0.00 0.00 55.06 52.92 1qk3 s HIS 73 Cb -0.13 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.56 1qk3 s HIS 73 CO 0.02 -0.82 0.14 0.42 -0.85 0.00 0.00 174.74 173.66 1qk3 s ILE 74 N 1.22 5.03 -0.26 0.60 1.01 0.18 -1.31 121.20 127.67 1qk3 s ILE 74 Ca -0.02 0.07 -0.14 0.00 0.00 0.00 0.00 60.65 60.56 1qk3 s ILE 74 Cb -0.17 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.89 1qk3 s ILE 74 CO -0.07 0.31 0.31 -0.63 0.00 0.00 0.00 174.94 174.86 1qk3 s ILE 75 N 1.45 5.23 -0.43 2.92 1.01 0.41 -0.61 121.20 131.17 1qk3 s ILE 75 Ca 0.07 0.45 -0.14 0.00 0.00 0.00 0.00 60.65 61.02 1qk3 s ILE 75 Cb -0.15 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.73 1qk3 s ILE 75 CO 0.07 0.21 0.32 0.00 0.00 0.00 0.00 174.94 175.54 1qk3 s ILE 77 N 1.64 3.16 -0.38 0.00 1.01 -1.19 -1.47 121.20 123.96 1qk3 s ILE 77 Ca 0.04 0.18 -0.45 0.00 0.00 0.00 0.00 60.65 60.42 1qk3 s ILE 77 Cb -0.21 -3.17 -0.20 0.00 0.01 0.00 0.00 42.46 38.88 1qk3 s ILE 77 CO 0.08 -0.08 1.48 -0.11 0.00 0.00 0.00 174.94 176.31 1qk3 n LEU 78 N 9.77 0.94 -4.17 2.97 7.94 -0.75 -4.92 117.00 128.77 1qk3 n LEU 78 Ca 0.24 1.18 -0.12 0.00 -1.11 0.00 0.00 56.01 56.20 1qk3 n LEU 78 Cb 0.44 -0.89 -0.09 0.00 0.53 0.00 0.00 43.42 43.41 1qk3 n LEU 78 CO 0.66 -1.08 -0.14 -0.54 -1.11 0.00 0.00 177.39 175.18 1qk3 s LYS 79 N 2.31 1.35 0.00 1.96 -0.14 -1.26 -5.09 119.74 118.87 1qk3 s LYS 79 Ca 1.02 -1.62 0.00 0.00 -1.36 0.00 0.00 55.97 54.01 1qk3 s LYS 79 Cb -1.44 0.32 0.00 0.00 -1.68 0.00 0.00 37.83 35.02 1qk3 s LYS 79 CO 0.76 -0.48 0.00 0.41 -0.76 0.00 0.00 175.35 175.28 1qk3 n GLY 80 N -0.34 0.71 0.37 -3.33 0.00 -1.26 -4.88 105.19 96.46 1qk3 n GLY 80 Ca 0.02 -1.88 0.19 0.00 0.00 0.00 0.00 46.02 44.35 1qk3 n GLY 80 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qk3 h SER 81 N 0.00 0.00 -0.44 1.61 0.02 -2.02 -0.92 113.55 111.80 1qk3 h SER 81 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1qk3 h SER 81 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1qk3 h SER 81 CO 0.00 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.23 1qk3 n ARG 82 N -4.19 2.13 -1.12 3.45 1.74 -1.26 -4.88 116.66 112.53 1qk3 n ARG 82 Ca 0.07 -1.75 -0.33 0.00 -0.77 0.00 0.00 57.85 55.07 1qk3 n ARG 82 Cb 0.53 -1.40 0.13 0.00 -1.02 0.00 0.00 32.46 30.69 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 -1.15 2.15 0.33 -0.13 0.00 -0.35 -3.79 107.32 104.38 1qk3 s GLY 83 Ca 0.34 0.83 0.01 0.00 0.00 0.00 0.00 44.72 45.90 1qk3 s GLY 83 CO 0.24 1.25 1.99 -2.75 0.00 0.00 0.00 173.10 173.83 1qk3 h PHE 84 N -0.90 0.91 -0.91 1.90 3.57 -1.91 -2.72 116.94 116.87 1qk3 h PHE 84 Ca -0.46 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.14 1qk3 h PHE 84 Cb 1.29 -0.31 -0.07 0.00 2.79 0.00 0.00 35.95 39.66 1qk3 h PHE 84 CO 0.47 0.56 0.57 0.35 -2.23 0.00 0.00 178.31 178.03 1qk3 h PHE 85 N 0.97 1.04 -0.54 0.41 3.57 -1.92 -0.47 116.94 120.00 1qk3 h PHE 85 Ca 0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1qk3 h PHE 85 Cb -0.07 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.31 1qk3 h PHE 85 CO -0.00 0.50 0.35 -0.91 -2.23 0.00 0.00 178.31 176.01 1qk3 h ASN 86 N 1.00 0.64 -0.47 0.41 2.35 -1.82 0.48 115.58 118.16 1qk3 h ASN 86 Ca 0.41 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 56.00 1qk3 h ASN 86 Cb 0.26 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1qk3 h ASN 86 CO -0.20 0.48 -0.19 0.25 -1.65 0.00 0.00 177.43 176.12 1qk3 h LEU 87 N 0.73 0.98 -0.37 1.61 5.85 -1.48 -1.47 115.31 121.16 1qk3 h LEU 87 Ca 0.20 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1qk3 h LEU 87 Cb -0.05 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.69 1qk3 h LEU 87 CO -0.04 1.15 0.25 0.25 -0.34 0.00 0.00 178.44 179.71 1qk3 h LEU 88 N 0.81 0.43 -1.16 2.25 5.85 -0.86 -2.35 115.31 120.28 1qk3 h LEU 88 Ca 0.11 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1qk3 h LEU 88 Cb 0.77 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1qk3 h LEU 88 CO 0.06 0.31 0.09 0.40 -0.34 0.00 0.00 178.44 178.97 1qk3 h ILE 89 N 0.51 1.20 -0.44 4.05 1.08 -0.83 -1.18 117.51 121.91 1qk3 h ILE 89 Ca 0.14 -0.75 0.04 0.00 -0.39 0.00 0.00 64.86 63.90 1qk3 h ILE 89 Cb -0.06 0.77 -0.04 0.00 -3.07 0.00 0.00 36.82 34.42 1qk3 h ILE 89 CO -0.03 0.27 0.21 -0.78 -0.69 0.00 0.00 178.15 177.13 1qk3 h ASP 90 N 0.66 0.29 -0.34 1.72 1.82 -0.74 0.17 116.42 119.99 1qk3 h ASP 90 Ca 0.15 0.03 -0.15 0.00 -0.39 0.00 0.00 57.03 56.67 1qk3 h ASP 90 Cb 0.27 -0.02 -0.00 0.00 0.68 0.00 0.00 39.33 40.25 1qk3 h ASP 90 CO 0.00 0.21 -0.36 1.88 -1.61 0.00 0.00 179.24 179.36 1qk3 h TYR 91 N 0.42 1.03 -0.75 0.28 -1.99 -1.19 -2.40 116.97 112.36 1qk3 h TYR 91 Ca 0.19 -0.31 0.03 0.00 2.00 0.00 0.00 58.73 60.64 1qk3 h TYR 91 Cb 0.11 -0.21 -0.04 0.00 2.00 0.00 0.00 36.73 38.59 1qk3 h TYR 91 CO -0.11 1.12 0.49 -0.07 -0.00 0.00 0.00 178.16 179.59 1qk3 h LEU 92 N 0.64 0.79 -0.56 3.88 3.38 -0.97 -1.72 115.31 120.75 1qk3 h LEU 92 Ca 0.05 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1qk3 h LEU 92 Cb 0.95 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1qk3 h LEU 92 CO 0.09 0.54 0.10 0.00 0.09 0.00 0.00 178.44 179.26 1qk3 h ALA 93 N 1.56 0.74 -0.48 1.53 0.00 -0.89 -1.03 119.26 120.70 1qk3 h ALA 93 Ca 0.30 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1qk3 h ALA 93 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1qk3 h ALA 93 CO -0.08 0.48 0.13 1.15 0.00 0.00 0.00 179.25 180.92 1qk3 h THR 94 N 0.82 1.23 -0.76 0.00 2.02 -0.90 -1.05 112.91 114.27 1qk3 h THR 94 Ca 0.17 -0.81 -0.03 0.00 0.77 0.00 0.00 66.41 66.52 1qk3 h THR 94 Cb 0.40 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1qk3 h THR 94 CO 0.01 0.29 0.36 0.40 0.37 0.00 0.00 175.52 176.95 1qk3 h ILE 95 N 0.65 1.24 -0.70 3.11 2.04 -1.21 -2.42 117.51 120.22 1qk3 h ILE 95 Ca 0.15 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.27 1qk3 h ILE 95 Cb 0.31 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1qk3 h ILE 95 CO -0.00 0.29 0.26 -0.61 0.00 0.00 0.00 178.15 178.09 1qk3 h GLN 96 N 1.07 1.05 0.00 2.37 4.15 -1.08 0.34 115.11 123.01 1qk3 h GLN 96 Ca 0.26 -0.19 -0.05 0.00 0.77 0.00 0.00 58.65 59.44 1qk3 h GLN 96 Cb 0.13 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1qk3 h GLN 96 CO -0.03 0.86 -0.24 -0.22 -1.93 0.00 0.00 178.83 177.27 1qk3 h LYS 97 N 1.02 0.00 -0.69 1.69 3.64 -0.79 -3.22 116.57 118.22 1qk3 h LYS 97 Ca 0.23 0.00 -0.46 0.00 -1.27 0.00 0.00 60.65 59.15 1qk3 h LYS 97 Cb 0.22 0.00 -0.42 0.00 -0.41 0.00 0.00 32.23 31.62 1qk3 h LYS 97 CO -0.02 0.24 -0.91 0.66 -2.27 0.00 0.00 179.45 177.15 1qk3 n TYR 98 N -3.89 2.32 0.19 1.91 0.53 -0.90 -4.88 117.16 112.44 1qk3 n TYR 98 Ca -0.02 -2.24 0.07 0.00 -1.02 0.00 0.00 57.90 54.69 1qk3 n TYR 98 Cb 0.33 -0.30 0.25 0.00 -1.03 0.00 0.00 39.34 38.59 1qk3 n TYR 98 CO 0.00 0.00 0.00 0.66 -1.02 0.00 0.00 176.86 176.50 1qk3 h SER 99 N 2.33 0.00 0.00 7.72 4.64 -0.96 -3.47 113.55 123.81 1qk3 h SER 99 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1qk3 h SER 99 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1qk3 h SER 99 CO 0.59 0.31 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 1qk3 n GLY 100 N 0.69 2.45 2.67 -0.77 0.00 -1.26 -4.90 105.19 104.07 1qk3 n GLY 100 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1qk3 n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qk3 n ARG 101 N -1.33 1.70 0.06 1.61 5.12 -1.26 -4.95 116.66 117.61 1qk3 n ARG 101 Ca 0.00 -3.51 0.07 0.00 -1.93 0.00 0.00 57.85 52.48 1qk3 n ARG 101 Cb 0.00 -1.53 0.32 0.00 -1.16 0.00 0.00 32.46 30.09 1qk3 n ARG 101 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1qk3 n GLU 102 N -0.34 0.07 -0.00 5.56 4.71 -1.26 -2.36 120.64 127.02 1qk3 n GLU 102 Ca 0.13 0.41 0.08 0.00 -0.01 0.00 0.00 57.16 57.77 1qk3 n GLU 102 Cb 0.81 -1.66 -0.10 0.00 -1.01 0.00 0.00 31.44 29.47 1qk3 n GLU 102 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1qk3 n SER 103 N -1.79 0.85 -0.39 1.62 3.41 -1.26 -4.66 113.62 111.39 1qk3 n SER 103 Ca 0.02 -0.68 0.04 0.00 -0.26 0.00 0.00 58.87 57.99 1qk3 n SER 103 Cb 0.12 1.19 0.09 0.00 -0.26 0.00 0.00 64.21 65.35 1qk3 n SER 103 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1qk3 n SER 104 N -1.57 2.41 -3.96 4.04 3.41 -0.99 -4.99 113.62 111.97 1qk3 n SER 104 Ca 0.02 -1.87 -0.17 0.00 -0.26 0.00 0.00 58.87 56.59 1qk3 n SER 104 Cb 0.31 -0.12 -0.15 0.00 -0.26 0.00 0.00 64.21 63.99 1qk3 n SER 104 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1qk3 s VAL 105 N -0.92 0.52 0.04 -3.33 -7.23 -1.19 -5.03 120.40 103.26 1qk3 s VAL 105 Ca 0.14 -0.25 -0.30 0.00 -1.81 0.00 0.00 61.98 59.75 1qk3 s VAL 105 Cb 0.08 -0.46 -0.06 0.00 0.56 0.00 0.00 36.38 36.49 1qk3 s VAL 105 CO 0.10 0.16 1.29 -2.16 -0.31 0.00 0.00 175.10 174.19 1qk3 s PRO 106 N 0.06 4.35 0.67 4.82 0.04 -1.26 -4.93 135.00 138.76 1qk3 s PRO 106 Ca -0.00 1.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 1qk3 s PRO 106 Cb -0.05 -3.42 0.01 0.00 0.04 0.00 0.00 34.50 31.08 1qk3 s PRO 106 CO -0.00 -0.41 1.18 -1.25 0.04 0.00 0.00 177.00 176.56 1qk3 s PRO 107 N 1.63 2.53 0.82 0.56 0.04 -1.26 -4.74 135.00 134.58 1qk3 s PRO 107 Ca 0.61 1.69 -0.11 0.00 0.04 0.00 0.00 61.00 63.22 1qk3 s PRO 107 Cb -0.31 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.43 1qk3 s PRO 107 CO 0.27 -1.51 1.13 -0.59 0.04 0.00 0.00 177.00 176.34 1qk3 s PHE 108 N -1.96 2.11 -0.07 0.56 -0.12 -1.26 -4.76 117.98 112.48 1qk3 s PHE 108 Ca 0.73 1.66 0.03 0.00 -0.05 0.00 0.00 56.93 59.30 1qk3 s PHE 108 Cb -0.27 -3.24 -0.02 0.00 -0.63 0.00 0.00 43.02 38.86 1qk3 s PHE 108 CO 0.41 -2.32 -0.14 -0.06 -0.05 0.00 0.00 175.22 173.06 1qk3 s PHE 109 N -2.63 2.74 -0.16 3.49 0.40 -0.20 -5.02 117.98 116.61 1qk3 s PHE 109 Ca 0.66 -0.24 -0.06 0.00 -0.60 0.00 0.00 56.93 56.68 1qk3 s PHE 109 Cb -0.21 -1.68 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 1qk3 s PHE 109 CO 0.54 0.12 0.06 -1.21 0.70 0.00 0.00 175.22 175.43 1qk3 s GLU 110 N -0.52 3.72 0.08 0.44 2.02 -1.26 -0.64 118.70 122.54 1qk3 s GLU 110 Ca 0.07 -0.33 0.06 0.00 0.02 0.00 0.00 54.97 54.80 1qk3 s GLU 110 Cb -0.12 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 30.95 1qk3 s GLU 110 CO 0.02 0.42 -0.17 -1.01 0.02 0.00 0.00 175.26 174.54 1qk3 s HIS 111 N -0.05 1.45 -0.21 1.61 3.76 0.21 -4.96 115.29 117.10 1qk3 s HIS 111 Ca 0.06 -0.44 -0.01 0.00 -0.15 0.00 0.00 55.06 54.53 1qk3 s HIS 111 Cb -0.12 -0.81 0.02 0.00 1.11 0.00 0.00 32.58 32.78 1qk3 s HIS 111 CO 0.01 0.11 -0.12 0.71 -0.85 0.00 0.00 174.74 174.60 1qk3 s TYR 112 N -1.21 2.93 0.03 1.40 1.51 -1.26 -0.46 117.35 120.28 1qk3 s TYR 112 Ca 0.02 -1.50 0.03 0.00 -1.01 0.00 0.00 57.07 54.60 1qk3 s TYR 112 Cb -0.10 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1qk3 s TYR 112 CO 0.03 -0.73 -0.09 0.08 -1.11 0.00 0.00 175.55 173.73 1qk3 s VAL 113 N 1.33 0.71 0.35 0.71 1.01 -0.54 -1.20 120.40 122.76 1qk3 s VAL 113 Ca 0.03 -0.80 -0.11 0.00 0.00 0.00 0.00 61.98 61.11 1qk3 s VAL 113 Cb -0.15 -0.67 -0.07 0.00 0.00 0.00 0.00 36.38 35.49 1qk3 s VAL 113 CO -0.08 -0.09 0.71 -0.13 0.00 0.00 0.00 175.10 175.50 1qk3 s ARG 114 N -0.98 3.82 0.19 2.72 1.81 0.62 -1.82 118.95 125.31 1qk3 s ARG 114 Ca -0.02 0.44 -0.09 0.00 -1.72 0.00 0.00 55.73 54.34 1qk3 s ARG 114 Cb -0.07 -2.46 0.09 0.00 -0.45 0.00 0.00 34.95 32.06 1qk3 s ARG 114 CO 0.00 0.09 1.69 -0.07 -0.68 0.00 0.00 175.30 176.33 1qk3 h LEU 115 N 1.74 1.02 -9.84 2.53 3.38 -1.95 -3.45 115.31 108.74 1qk3 h LEU 115 Ca -0.47 -0.25 -0.55 0.00 0.09 0.00 0.00 57.88 56.69 1qk3 h LEU 115 Cb 1.18 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 1qk3 h LEU 115 CO 0.65 1.02 -0.52 -0.54 0.09 0.00 0.00 178.44 179.13 1qk3 s LYS 116 N -5.23 2.32 -0.92 1.13 1.02 -1.26 -4.74 119.74 112.06 1qk3 s LYS 116 Ca -0.12 -1.64 -0.21 0.00 0.02 0.00 0.00 55.97 54.02 1qk3 s LYS 116 Cb 0.14 -2.12 0.09 0.00 -0.52 0.00 0.00 37.83 35.42 1qk3 s LYS 116 CO 0.84 0.03 1.22 -1.54 -0.92 0.00 0.00 175.35 174.99 1qk3 s SER 117 N -3.87 6.51 0.48 2.83 1.04 -1.26 -4.62 113.70 114.81 1qk3 s SER 117 Ca 0.39 -1.64 0.07 0.00 0.48 0.00 0.00 55.95 55.25 1qk3 s SER 117 Cb -0.01 -2.47 0.03 0.00 0.10 0.00 0.00 66.02 63.68 1qk3 s SER 117 CO 0.23 -1.29 0.66 -0.31 0.98 0.00 0.00 173.24 173.50 1qk3 s TYR 118 N 3.76 2.47 0.16 5.02 1.51 -1.26 -4.80 117.35 124.20 1qk3 s TYR 118 Ca 0.36 -0.42 -0.31 0.00 -1.01 0.00 0.00 57.07 55.70 1qk3 s TYR 118 Cb -0.05 -2.41 -0.08 0.00 -0.11 0.00 0.00 41.96 39.30 1qk3 s TYR 118 CO -0.06 -0.68 1.35 1.14 -1.11 0.00 0.00 175.55 176.18 1qk3 s GLN 119 N -4.50 4.35 0.36 -0.62 -2.07 -1.26 -3.71 119.66 112.21 1qk3 s GLN 119 Ca 0.57 2.07 -0.27 0.00 -1.82 0.00 0.00 55.36 55.91 1qk3 s GLN 119 Cb -0.09 -3.22 -0.12 0.00 -1.09 0.00 0.00 33.01 28.49 1qk3 s GLN 119 CO 0.35 -0.34 1.22 0.27 -1.32 0.00 0.00 175.29 175.47 1qk3 n ASN 120 N 3.25 2.39 -0.93 12.60 0.23 -1.26 -4.92 115.26 126.62 1qk3 n ASN 120 Ca 0.09 1.17 0.01 0.00 -0.53 0.00 0.00 54.58 55.32 1qk3 n ASN 120 Cb 0.43 -1.45 0.21 0.00 -2.08 0.00 0.00 39.78 36.88 1qk3 n ASN 120 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1qk3 n ASP 121 N 0.69 2.68 -4.86 0.53 5.75 -1.26 -5.07 116.55 115.00 1qk3 n ASP 121 Ca 0.06 -3.56 -0.31 0.00 -0.01 0.00 0.00 54.79 50.98 1qk3 n ASP 121 Cb 0.37 -0.58 0.02 0.00 -1.03 0.00 0.00 41.12 39.89 1qk3 n ASP 121 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1qk3 s ASN 122 N -2.52 5.94 0.07 -1.12 0.01 -1.26 -5.03 114.94 111.04 1qk3 s ASN 122 Ca 0.42 1.40 -0.26 0.00 -0.71 0.00 0.00 52.86 53.71 1qk3 s ASN 122 Cb 0.38 -2.38 0.08 0.00 0.41 0.00 0.00 41.25 39.74 1qk3 s ASN 122 CO 0.01 -1.05 0.70 -0.94 -1.51 0.00 0.00 177.10 174.31 1qk3 s SER 123 N -4.15 -0.53 0.05 -1.22 1.04 -1.26 -5.09 113.70 102.54 1qk3 s SER 123 Ca 0.56 0.15 -0.33 0.00 0.48 0.00 0.00 55.95 56.80 1qk3 s SER 123 Cb -0.12 0.53 -0.12 0.00 0.10 0.00 0.00 66.02 66.41 1qk3 s SER 123 CO 0.54 -0.80 1.78 0.41 0.98 0.00 0.00 173.24 176.14 1qk3 n THR 124 N -0.07 0.35 -0.14 2.02 -1.04 -1.26 -1.53 114.28 112.61 1qk3 n THR 124 Ca -0.15 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1qk3 n THR 124 Cb 0.63 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 1qk3 n THR 124 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qk3 n GLY 125 N 4.04 1.32 3.89 3.41 0.00 -1.26 -5.04 105.19 111.55 1qk3 n GLY 125 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.49 2.83 0.26 1.61 -1.52 -0.58 -5.06 119.66 116.71 1qk3 s GLN 126 Ca 0.00 -1.22 -0.31 0.00 -1.95 0.00 0.00 55.36 51.88 1qk3 s GLN 126 Cb 0.00 -2.56 -0.12 0.00 -0.22 0.00 0.00 33.01 30.11 1qk3 s GLN 126 CO 0.00 0.10 1.58 -0.11 -0.25 0.00 0.00 175.29 176.61 1qk3 n LEU 127 N -1.43 3.97 -4.65 2.90 7.94 -1.26 -4.75 117.00 119.71 1qk3 n LEU 127 Ca -0.02 1.13 -0.43 0.00 -1.11 0.00 0.00 56.01 55.58 1qk3 n LEU 127 Cb 0.59 -1.55 -0.02 0.00 0.53 0.00 0.00 43.42 42.97 1qk3 n LEU 127 CO 0.42 0.00 1.07 -0.89 -1.11 0.00 0.00 177.39 176.88 1qk3 s THR 128 N 0.24 4.32 -0.19 1.96 2.01 -1.26 -4.78 115.64 117.93 1qk3 s THR 128 Ca 0.68 1.56 -0.00 0.00 0.31 0.00 0.00 61.69 64.24 1qk3 s THR 128 Cb -0.54 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 67.88 1qk3 s THR 128 CO 0.45 -0.25 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.29 1qk3 s VAL 129 N 3.69 2.40 0.11 3.82 1.01 -1.26 -4.27 120.40 125.90 1qk3 s VAL 129 Ca 0.53 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 1qk3 s VAL 129 Cb -0.19 -2.06 -0.07 0.00 0.00 0.00 0.00 36.38 34.07 1qk3 s VAL 129 CO 0.15 0.48 0.61 -0.76 0.00 0.00 0.00 175.10 175.58 1qk3 s LEU 130 N 1.33 4.50 0.00 3.92 1.43 -0.34 -4.79 118.68 124.72 1qk3 s LEU 130 Ca 0.05 1.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 1qk3 s LEU 130 Cb -0.14 -3.06 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1qk3 s LEU 130 CO -0.10 0.22 0.00 -1.54 0.23 0.00 0.00 176.35 175.16 1qk3 n SER 131 N 1.49 0.00 0.05 2.29 3.41 -1.26 -0.27 113.62 119.33 1qk3 n SER 131 Ca -0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.44 1qk3 n SER 131 Cb 0.51 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.50 1qk3 n SER 131 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1qk3 h ASP 132 N 0.00 0.46 -3.62 4.04 2.03 -1.82 -3.39 116.42 114.12 1qk3 h ASP 132 Ca 0.00 -0.29 -0.67 0.00 -0.73 0.00 0.00 57.03 55.34 1qk3 h ASP 132 Cb 0.00 -0.14 -0.33 0.00 -0.83 0.00 0.00 39.33 38.03 1qk3 h ASP 132 CO 0.00 1.01 -0.75 -0.62 -1.03 0.00 0.00 179.24 177.85 1qk3 s ASP 133 N -6.95 4.44 -0.14 4.15 2.15 -1.26 -4.95 116.67 114.11 1qk3 s ASP 133 Ca -0.06 -1.06 0.16 0.00 0.43 0.00 0.00 52.55 52.02 1qk3 s ASP 133 Cb 0.11 -1.65 0.59 0.00 -0.30 0.00 0.00 42.92 41.67 1qk3 s ASP 133 CO 0.83 -0.17 1.50 0.18 -0.17 0.00 0.00 175.17 177.34 1qk3 n LEU 134 N 4.62 4.26 0.29 -1.34 4.77 -1.26 -4.73 117.00 123.60 1qk3 n LEU 134 Ca -0.15 -2.70 0.16 0.00 -0.03 0.00 0.00 56.01 53.29 1qk3 n LEU 134 Cb 0.45 -0.52 0.89 0.00 -2.33 0.00 0.00 43.42 41.91 1qk3 n LEU 134 CO 0.26 0.71 1.07 0.77 -1.33 0.00 0.00 177.39 178.87 1qk3 h SER 135 N 2.76 0.00 0.01 -1.43 4.64 -1.95 -2.12 113.55 115.46 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 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1qk3 h SER 135 CO 0.24 0.05 0.00 -0.29 -0.87 0.00 0.00 176.83 175.95 1qk3 h ILE 136 N 0.00 0.00 -0.01 0.95 2.10 -1.98 -2.15 117.51 116.42 1qk3 h ILE 136 Ca -0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1qk3 h ILE 136 Cb 0.16 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 1qk3 h ILE 136 CO 0.01 0.00 -0.00 0.49 -1.08 0.00 0.00 178.15 177.56 1qk3 n PHE 137 N -2.91 0.00 -1.70 2.19 3.01 -0.80 -4.86 117.46 112.39 1qk3 n PHE 137 Ca -0.03 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.00 1qk3 n PHE 137 Cb 0.07 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.50 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 -0.39 2.46 -2.20 -1.08 0.63 -0.81 -1.87 116.66 113.40 1qk3 n ARG 138 Ca 0.21 0.89 -0.19 0.00 -0.92 0.00 0.00 57.85 57.84 1qk3 n ARG 138 Cb 0.24 -2.67 -0.03 0.00 0.45 0.00 0.00 32.46 30.45 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 3.29 -5.28 -4.70 6.15 2.03 -0.08 -4.87 116.55 113.09 1qk3 n ASP 139 Ca 0.15 0.14 -0.25 0.00 0.52 0.00 0.00 54.79 55.35 1qk3 n ASP 139 Cb 0.33 -4.48 -0.07 0.00 -0.72 0.00 0.00 41.12 36.18 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 -4.69 2.50 -0.43 -0.67 -0.14 -0.78 -4.38 119.74 111.16 1qk3 s LYS 140 Ca 0.00 -1.14 -0.25 0.00 -1.36 0.00 0.00 55.97 53.22 1qk3 s LYS 140 Cb 0.00 -2.37 0.02 0.00 -1.68 0.00 0.00 37.83 33.80 1qk3 s LYS 140 CO 0.00 0.43 0.91 -1.01 -0.76 0.00 0.00 175.35 174.92 1qk3 s HIS 141 N -1.91 2.98 -0.09 3.18 3.76 -1.26 -1.13 115.29 120.81 1qk3 s HIS 141 Ca 0.29 0.50 0.02 0.00 -0.15 0.00 0.00 55.06 55.72 1qk3 s HIS 141 Cb -0.09 -3.83 -0.02 0.00 1.11 0.00 0.00 32.58 29.75 1qk3 s HIS 141 CO 0.20 -0.99 -0.14 0.08 -0.85 0.00 0.00 174.74 173.04 1qk3 s VAL 142 N 3.62 3.02 -0.19 -0.90 1.01 -0.65 -1.71 120.40 124.60 1qk3 s VAL 142 Ca 0.37 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 1qk3 s VAL 142 Cb -0.11 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1qk3 s VAL 142 CO 0.23 0.56 -0.15 -0.22 0.00 0.00 0.00 175.10 175.52 1qk3 s LEU 143 N -0.20 2.35 -0.25 3.92 2.96 -0.43 -1.30 118.68 125.75 1qk3 s LEU 143 Ca 0.00 -0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 53.23 1qk3 s LEU 143 Cb -0.13 -1.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 1qk3 s LEU 143 CO 0.03 -0.00 0.17 -0.63 -1.32 0.00 0.00 176.35 174.59 1qk3 s ILE 144 N 1.34 5.35 -0.15 6.68 1.01 -0.45 -0.44 121.20 134.53 1qk3 s ILE 144 Ca 0.05 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 1qk3 s ILE 144 Cb -0.13 -3.51 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 1qk3 s ILE 144 CO -0.10 0.33 -0.08 -0.69 0.00 0.00 0.00 174.94 174.40 1qk3 s VAL 145 N 1.18 3.48 0.03 2.92 1.01 0.27 -0.96 120.40 128.33 1qk3 s VAL 145 Ca 0.08 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.57 1qk3 s VAL 145 Cb -0.14 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1qk3 s VAL 145 CO 0.06 0.49 -0.07 -0.70 0.00 0.00 0.00 175.10 174.89 1qk3 s GLU 146 N 0.52 0.47 0.18 2.72 2.56 -0.92 -3.17 118.70 121.06 1qk3 s GLU 146 Ca -0.05 -0.62 -0.11 0.00 0.00 0.00 0.00 54.97 54.19 1qk3 s GLU 146 Cb -0.15 -0.25 0.08 0.00 2.00 0.00 0.00 34.13 35.81 1qk3 s GLU 146 CO 0.03 0.05 1.69 -0.44 -0.56 0.00 0.00 175.26 176.03 1qk3 h ASP 147 N 4.82 0.93 -4.93 -1.70 3.32 -1.94 -3.31 116.42 113.60 1qk3 h ASP 147 Ca -0.34 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.42 1qk3 h ASP 147 Cb 1.20 -0.24 -0.19 0.00 0.22 0.00 0.00 39.33 40.32 1qk3 h ASP 147 CO 0.43 0.91 0.15 -0.51 -1.72 0.00 0.00 179.24 178.50 1qk3 s ILE 148 N -5.32 0.00 -0.20 0.35 2.07 -1.26 -2.83 121.20 114.00 1qk3 s ILE 148 Ca -0.12 -0.04 -0.04 0.00 -1.41 0.00 0.00 60.65 59.04 1qk3 s ILE 148 Cb 0.13 -0.97 -0.02 0.00 0.13 0.00 0.00 42.46 41.74 1qk3 s ILE 148 CO 0.82 -0.02 -0.03 -0.69 -1.91 0.00 0.00 174.94 173.11 1qk3 s VAL 149 N -1.10 3.56 0.00 4.00 1.01 -0.70 -5.01 120.40 122.17 1qk3 s VAL 149 Ca -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.44 1qk3 s VAL 149 Cb -0.01 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1qk3 s VAL 149 CO 0.09 0.43 0.00 -0.67 0.00 0.00 0.00 175.10 174.95 1qk3 n ASP 150 N 4.48 0.00 0.15 3.32 -0.08 -1.26 -2.34 116.55 120.82 1qk3 n ASP 150 Ca -0.18 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.12 1qk3 n ASP 150 Cb 0.51 0.00 0.20 0.00 2.34 0.00 0.00 41.12 44.18 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 1.13 0.00 5.18 1.35 -1.96 -3.44 112.91 115.17 1qk3 h THR 151 Ca 0.00 -1.97 0.00 0.00 -0.55 0.00 0.00 66.41 63.89 1qk3 h THR 151 Cb 0.00 2.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 1qk3 h THR 151 CO 0.00 0.51 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 1qk3 n GLY 152 N 0.47 0.81 0.29 5.82 0.00 -1.26 -4.62 105.19 106.69 1qk3 n GLY 152 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 1.10 -0.25 1.61 0.05 -1.97 -1.21 116.94 116.27 1qk3 h PHE 153 Ca 0.00 -0.20 0.06 0.00 3.82 0.00 0.00 57.97 61.64 1qk3 h PHE 153 Cb 0.00 -0.28 -0.06 0.00 2.00 0.00 0.00 35.95 37.61 1qk3 h PHE 153 CO 0.00 1.00 -0.11 1.15 -0.18 0.00 0.00 178.31 180.18 1qk3 h THR 154 N 0.88 0.65 0.00 -1.55 2.02 -2.00 -1.70 112.91 111.21 1qk3 h THR 154 Ca 0.15 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 1qk3 h THR 154 Cb 0.59 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1qk3 h THR 154 CO 0.04 0.00 -0.15 -0.07 0.37 0.00 0.00 175.52 175.71 1qk3 h LEU 155 N -0.06 0.00 -0.10 2.58 3.38 -1.96 -2.02 115.31 117.12 1qk3 h LEU 155 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1qk3 h LEU 155 Cb 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1qk3 h LEU 155 CO -0.30 0.15 -0.09 0.74 0.09 0.00 0.00 178.44 179.03 1qk3 h THR 156 N 0.00 1.35 -0.15 0.22 2.02 -0.89 -1.04 112.91 114.42 1qk3 h THR 156 Ca -0.00 -1.21 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1qk3 h THR 156 Cb 0.92 1.92 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 1qk3 h THR 156 CO 0.02 0.34 0.04 -0.33 0.37 0.00 0.00 175.52 175.96 1qk3 h GLU 157 N -0.16 0.24 -0.79 6.66 5.08 -1.28 -2.44 114.58 121.90 1qk3 h GLU 157 Ca 0.02 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1qk3 h GLU 157 Cb 0.59 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1qk3 h GLU 157 CO 0.02 0.39 0.34 0.35 -1.00 0.00 0.00 179.01 179.11 1qk3 h PHE 158 N 0.06 1.17 -0.78 4.33 3.57 -1.44 -2.40 116.94 121.44 1qk3 h PHE 158 Ca 0.05 -0.08 0.14 0.00 3.53 0.00 0.00 57.97 61.61 1qk3 h PHE 158 Cb 0.25 -0.36 -0.09 0.00 2.79 0.00 0.00 35.95 38.54 1qk3 h PHE 158 CO 0.01 0.87 0.36 0.78 -2.23 0.00 0.00 178.31 178.09 1qk3 h GLY 159 N 1.13 1.22 1.16 2.40 0.00 -1.04 -1.50 103.07 106.45 1qk3 h GLY 159 Ca 0.27 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 1qk3 h GLY 159 CO -0.03 -0.06 0.09 0.83 0.00 0.00 0.00 176.54 177.37 1qk3 h GLU 160 N 0.52 1.02 -0.56 4.80 4.39 -0.94 -1.57 114.58 122.24 1qk3 h GLU 160 Ca 0.43 -0.27 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1qk3 h GLU 160 Cb 0.61 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1qk3 h GLU 160 CO -0.38 0.95 0.18 0.00 -1.16 0.00 0.00 179.01 178.60 1qk3 h ARG 161 N 0.96 0.87 0.00 2.33 3.08 -1.18 -2.92 114.38 117.52 1qk3 h ARG 161 Ca 0.19 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1qk3 h ARG 161 Cb 0.44 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1qk3 h ARG 161 CO 0.01 0.79 -0.41 1.25 -1.07 0.00 0.00 179.97 180.54 1qk3 h LEU 162 N 0.78 0.00 -2.20 3.04 5.85 -0.95 -2.73 115.31 119.11 1qk3 h LEU 162 Ca 0.18 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1qk3 h LEU 162 Cb 0.28 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1qk3 h LEU 162 CO -0.01 0.41 -0.06 0.11 -0.34 0.00 0.00 178.44 178.55 1qk3 h LYS 163 N 0.00 0.00 0.00 1.25 1.57 -1.10 -2.66 116.57 115.64 1qk3 h LYS 163 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qk3 h LYS 163 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1qk3 h LYS 163 CO 0.05 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 179.00 1qk3 h ALA 164 N 1.94 1.00 -0.02 3.86 0.00 -1.43 -2.25 119.26 122.36 1qk3 h ALA 164 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qk3 h ALA 164 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1qk3 h ALA 164 CO 0.01 0.00 -0.26 1.33 0.00 0.00 0.00 179.25 180.33 1qk3 n VAL 165 N -2.50 0.00 -2.34 0.00 0.24 -1.00 -5.03 118.33 107.71 1qk3 n VAL 165 Ca 0.02 -0.35 -0.07 0.00 -2.04 0.00 0.00 64.34 61.89 1qk3 n VAL 165 Cb 0.25 1.29 0.03 0.00 -1.47 0.00 0.00 33.84 33.94 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 1.38 -0.08 3.79 7.63 0.00 -0.85 -4.14 105.19 112.91 1qk3 n GLY 166 Ca 0.12 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.67 3.02 0.07 1.61 0.04 -1.26 -0.91 135.00 133.90 1qk3 s PRO 167 Ca 0.22 1.30 -0.20 0.00 0.04 0.00 0.00 61.00 62.36 1qk3 s PRO 167 Cb -0.03 -1.99 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 1qk3 s PRO 167 CO 0.35 -1.07 1.48 -0.22 0.04 0.00 0.00 177.00 177.59 1qk3 h LYS 168 N 0.17 0.34 -3.58 4.56 3.64 -1.33 -3.43 116.57 116.94 1qk3 h LYS 168 Ca -0.47 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 58.71 1qk3 h LYS 168 Cb 1.23 -0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.87 1qk3 h LYS 168 CO 0.56 0.57 -0.31 -1.54 -2.27 0.00 0.00 179.45 176.45 1qk3 s SER 169 N -5.88 -0.00 -0.05 4.20 1.04 -1.10 -4.73 113.70 107.19 1qk3 s SER 169 Ca -0.14 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 1qk3 s SER 169 Cb 0.06 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.56 1qk3 s SER 169 CO 0.73 -0.68 0.03 -0.04 0.98 0.00 0.00 173.24 174.27 1qk3 s MET 170 N -3.23 0.18 0.22 4.02 -1.94 -1.26 -1.63 119.30 115.66 1qk3 s MET 170 Ca -0.00 0.24 0.02 0.00 -1.71 0.00 0.00 55.69 54.24 1qk3 s MET 170 Cb 0.02 -0.62 -0.05 0.00 2.01 0.00 0.00 34.83 36.18 1qk3 s MET 170 CO -0.08 -0.28 0.04 1.03 -0.01 0.00 0.00 175.02 175.72 1qk3 s ARG 171 N 1.86 1.27 -0.05 2.03 0.52 -0.42 -4.65 118.95 119.51 1qk3 s ARG 171 Ca 0.02 -1.65 0.04 0.00 -0.52 0.00 0.00 55.73 53.62 1qk3 s ARG 171 Cb -0.12 -0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.03 1qk3 s ARG 171 CO -0.03 -0.19 -0.16 0.42 0.02 0.00 0.00 175.30 175.35 1qk3 s ILE 172 N -3.66 1.40 -0.11 1.52 1.01 -1.26 -1.34 121.20 118.76 1qk3 s ILE 172 Ca 0.30 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.29 1qk3 s ILE 172 Cb 0.07 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.30 1qk3 s ILE 172 CO 0.09 0.41 -0.18 0.00 0.00 0.00 0.00 174.94 175.26 1qk3 s ALA 173 N 0.20 2.44 -0.01 9.38 0.00 -0.14 -0.80 121.76 132.84 1qk3 s ALA 173 Ca -0.07 -0.94 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 1qk3 s ALA 173 Cb -0.13 -1.02 0.00 0.00 0.00 0.00 0.00 23.12 21.98 1qk3 s ALA 173 CO 0.03 0.31 0.12 -0.08 0.00 0.00 0.00 175.76 176.14 1qk3 s THR 174 N 0.20 0.07 0.12 0.00 -1.32 -0.53 -2.16 115.64 112.02 1qk3 s THR 174 Ca -0.11 -0.57 -0.12 0.00 -1.21 0.00 0.00 61.69 59.68 1qk3 s THR 174 Cb -0.16 -0.37 -0.07 0.00 -1.51 0.00 0.00 72.50 70.39 1qk3 s THR 174 CO 0.06 -0.31 1.44 0.25 -2.21 0.00 0.00 174.62 173.84 1qk3 h LEU 175 N 4.65 0.91 -8.23 9.08 6.46 -1.61 -2.37 115.31 124.21 1qk3 h LEU 175 Ca -0.30 -0.49 -0.40 0.00 -0.12 0.00 0.00 57.88 56.58 1qk3 h LEU 175 Cb 1.20 -0.26 -0.25 0.00 -0.73 0.00 0.00 40.66 40.62 1qk3 h LEU 175 CO 0.41 1.22 -0.78 -0.69 -0.62 0.00 0.00 178.44 177.98 1qk3 s VAL 176 N -4.31 0.91 0.08 1.05 1.01 -1.22 -0.88 120.40 117.04 1qk3 s VAL 176 Ca -0.11 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.06 1qk3 s VAL 176 Cb 0.10 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1qk3 s VAL 176 CO 0.87 -0.03 -0.21 -1.83 0.00 0.00 0.00 175.10 173.89 1qk3 s GLU 177 N -1.04 1.25 -0.09 2.72 -1.05 0.08 -1.72 118.70 118.86 1qk3 s GLU 177 Ca -0.00 -1.10 -0.09 0.00 -0.15 0.00 0.00 54.97 53.63 1qk3 s GLU 177 Cb -0.07 -1.48 -0.04 0.00 -0.44 0.00 0.00 34.13 32.09 1qk3 s GLU 177 CO 0.01 0.36 0.21 0.15 0.95 0.00 0.00 175.26 176.93 1qk3 s LYS 178 N -1.66 3.56 -1.10 -4.83 1.02 -0.99 -2.02 119.74 113.72 1qk3 s LYS 178 Ca 0.07 0.00 -0.18 0.00 0.02 0.00 0.00 55.97 55.89 1qk3 s LYS 178 Cb -0.10 -3.20 0.11 0.00 -0.52 0.00 0.00 37.83 34.13 1qk3 s LYS 178 CO 0.03 0.76 1.41 1.03 -0.92 0.00 0.00 175.35 177.66 1qk3 s ARG 179 N -1.06 3.82 0.64 1.68 0.52 -0.18 -4.93 118.95 119.44 1qk3 s ARG 179 Ca 0.17 -1.91 -0.00 0.00 -0.52 0.00 0.00 55.73 53.47 1qk3 s ARG 179 Cb -0.13 -5.18 0.08 0.00 0.52 0.00 0.00 34.95 30.24 1qk3 s ARG 179 CO 0.07 -1.96 0.89 0.95 0.02 0.00 0.00 175.30 175.27 1qk3 s THR 180 N 3.17 2.38 -0.64 0.02 -4.23 -1.26 -3.78 115.64 111.30 1qk3 s THR 180 Ca 0.43 -0.61 -0.03 0.00 -1.18 0.00 0.00 61.69 60.30 1qk3 s THR 180 Cb -0.01 -2.77 0.20 0.00 1.34 0.00 0.00 72.50 71.26 1qk3 s THR 180 CO -0.03 0.00 2.41 -0.90 -0.54 0.00 0.00 174.62 175.55 1qk3 n ASP 181 N -2.61 6.99 -4.52 3.99 5.75 -1.26 -4.96 116.55 119.92 1qk3 n ASP 181 Ca 0.11 -3.51 -0.25 0.00 -0.01 0.00 0.00 54.79 51.14 1qk3 n ASP 181 Cb 0.60 -1.15 -0.10 0.00 -1.03 0.00 0.00 41.12 39.44 1qk3 n ASP 181 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1qk3 s ARG 182 N -2.85 1.80 -0.08 0.11 0.52 -1.26 -5.14 118.95 112.06 1qk3 s ARG 182 Ca 0.55 -1.82 0.01 0.00 -0.52 0.00 0.00 55.73 53.96 1qk3 s ARG 182 Cb 0.41 -1.78 -0.03 0.00 0.52 0.00 0.00 34.95 34.07 1qk3 s ARG 182 CO -0.31 0.24 -0.09 -1.54 0.02 0.00 0.00 175.30 173.62 1qk3 s SER 183 N -3.57 4.44 -1.69 0.23 1.04 -1.26 -4.57 113.70 108.30 1qk3 s SER 183 Ca 0.31 -0.10 -0.02 0.00 0.48 0.00 0.00 55.95 56.62 1qk3 s SER 183 Cb -0.02 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.93 1qk3 s SER 183 CO 0.16 0.32 0.22 -0.46 0.98 0.00 0.00 173.24 174.47 1qk3 n ASN 184 N 2.48 -5.98 -4.76 7.02 6.94 -1.26 -4.96 115.26 114.74 1qk3 n ASN 184 Ca -0.18 -0.12 -0.40 0.00 -0.02 0.00 0.00 54.58 53.87 1qk3 n ASN 184 Cb 0.53 -4.92 -0.06 0.00 -2.36 0.00 0.00 39.78 32.97 1qk3 n ASN 184 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1qk3 s SER 185 N -2.30 7.59 0.40 0.53 0.15 -1.26 -4.99 113.70 113.82 1qk3 s SER 185 Ca 0.11 1.92 -0.26 0.00 0.70 0.00 0.00 55.95 58.41 1qk3 s SER 185 Cb -0.05 -2.60 -0.10 0.00 -1.71 0.00 0.00 66.02 61.56 1qk3 s SER 185 CO 0.14 0.13 1.30 -0.11 1.20 0.00 0.00 173.24 175.90 1qk3 n LEU 186 N 1.36 4.05 -4.14 3.45 0.00 -1.26 -4.95 117.00 115.51 1qk3 n LEU 186 Ca -0.02 1.14 -0.09 0.00 0.00 0.00 0.00 56.01 57.04 1qk3 n LEU 186 Cb 0.48 -1.51 -0.10 0.00 0.00 0.00 0.00 43.42 42.28 1qk3 n LEU 186 CO 0.49 -0.52 -0.35 -1.59 0.00 0.00 0.00 177.39 175.43 1qk3 s LYS 187 N -2.14 0.79 0.73 1.96 -2.85 0.02 -4.77 119.74 113.48 1qk3 s LYS 187 Ca 0.59 -1.33 -0.07 0.00 -1.00 0.00 0.00 55.97 54.16 1qk3 s LYS 187 Cb -0.52 0.07 0.09 0.00 -2.06 0.00 0.00 37.83 35.41 1qk3 s LYS 187 CO 0.59 -0.13 1.04 0.20 0.10 0.00 0.00 175.35 177.16 1qk3 s GLY 188 N -3.00 1.71 -0.20 0.59 0.00 -1.26 -4.00 107.32 101.16 1qk3 s GLY 188 Ca 0.14 -1.08 0.11 0.00 0.00 0.00 0.00 44.72 43.89 1qk3 s GLY 188 CO -0.05 -0.61 0.04 1.22 0.00 0.00 0.00 173.10 173.70 1qk3 n ASP 189 N -2.99 0.79 -3.81 1.64 8.00 0.02 -4.43 116.55 115.77 1qk3 n ASP 189 Ca 0.10 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.30 1qk3 n ASP 189 Cb 0.60 0.38 -0.14 0.00 -0.02 0.00 0.00 41.12 41.94 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 2.39 -0.07 1.24 0.40 -0.34 -4.44 117.98 114.65 1qk3 s PHE 190 Ca -0.18 -2.38 0.05 0.00 -0.60 0.00 0.00 56.93 53.81 1qk3 s PHE 190 Cb 0.07 -2.15 -0.01 0.00 0.51 0.00 0.00 43.02 41.44 1qk3 s PHE 190 CO 0.75 -0.85 -0.22 0.08 0.70 0.00 0.00 175.22 175.69 1qk3 s VAL 191 N 0.86 2.33 -0.02 -0.44 1.01 -1.26 -1.45 120.40 121.43 1qk3 s VAL 191 Ca 0.13 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 1qk3 s VAL 191 Cb -0.21 -1.88 -0.12 0.00 0.00 0.00 0.00 36.38 34.17 1qk3 s VAL 191 CO -0.11 0.56 0.85 1.23 0.00 0.00 0.00 175.10 177.64 1qk3 h GLY 192 N 6.18 -0.67 -4.89 4.51 0.00 -1.06 -3.38 103.07 103.77 1qk3 h GLY 192 Ca -0.30 0.25 -0.30 0.00 0.00 0.00 0.00 47.33 46.97 1qk3 h GLY 192 CO 0.49 -0.24 -0.75 -1.36 0.00 0.00 0.00 176.54 174.68 1qk3 s PHE 193 N -3.87 0.69 -0.22 5.60 0.40 -0.06 -1.99 117.98 118.53 1qk3 s PHE 193 Ca -0.11 -0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 55.77 1qk3 s PHE 193 Cb 0.01 -0.42 -0.03 0.00 0.51 0.00 0.00 43.02 43.10 1qk3 s PHE 193 CO 0.34 -0.05 0.03 0.45 0.70 0.00 0.00 175.22 176.69 1qk3 s SER 194 N -1.22 5.00 0.25 1.36 0.15 -0.27 -0.74 113.70 118.24 1qk3 s SER 194 Ca -0.06 -0.18 0.06 0.00 0.70 0.00 0.00 55.95 56.47 1qk3 s SER 194 Cb -0.08 -1.87 -0.05 0.00 -1.71 0.00 0.00 66.02 62.30 1qk3 s SER 194 CO 0.00 0.04 -0.05 0.27 1.20 0.00 0.00 173.24 174.70 1qk3 s ILE 195 N 1.15 1.47 0.83 6.45 -4.36 -0.86 -1.22 121.20 124.67 1qk3 s ILE 195 Ca 0.03 -2.11 -0.11 0.00 -0.26 0.00 0.00 60.65 58.21 1qk3 s ILE 195 Cb -0.14 -2.36 0.09 0.00 1.25 0.00 0.00 42.46 41.30 1qk3 s ILE 195 CO 0.02 -0.35 1.10 -1.83 0.24 0.00 0.00 174.94 174.11 1qk3 s GLU 196 N -3.76 1.75 -1.08 0.37 -1.05 -1.26 -1.01 118.70 112.66 1qk3 s GLU 196 Ca 0.28 1.11 -0.23 0.00 -0.15 0.00 0.00 54.97 55.98 1qk3 s GLU 196 Cb 0.04 -1.84 -0.03 0.00 -0.44 0.00 0.00 34.13 31.85 1qk3 s GLU 196 CO 0.10 -1.98 1.85 0.34 0.95 0.00 0.00 175.26 176.52 1qk3 s ASP 197 N -3.29 5.52 0.15 0.83 3.68 -1.25 -4.52 116.67 117.79 1qk3 s ASP 197 Ca 0.63 -1.41 0.02 0.00 2.13 0.00 0.00 52.55 53.91 1qk3 s ASP 197 Cb -0.18 -2.58 -0.04 0.00 -1.45 0.00 0.00 42.92 38.67 1qk3 s ASP 197 CO 0.57 -2.48 -0.02 0.68 0.13 0.00 0.00 175.17 174.04 1qk3 s VAL 198 N 8.92 0.68 -0.24 1.11 -7.23 -1.26 -5.07 120.40 117.32 1qk3 s VAL 198 Ca 0.64 -1.97 -0.11 0.00 -1.81 0.00 0.00 61.98 58.73 1qk3 s VAL 198 Cb -0.02 -1.98 -0.05 0.00 0.56 0.00 0.00 36.38 34.90 1qk3 s VAL 198 CO 0.05 -0.60 0.17 0.86 -0.31 0.00 0.00 175.10 175.26 1qk3 s TRP 199 N -3.65 3.32 0.17 2.82 -0.11 -1.26 -5.05 118.94 115.19 1qk3 s TRP 199 Ca 0.20 0.25 0.08 0.00 1.22 0.00 0.00 56.10 57.85 1qk3 s TRP 199 Cb 0.06 -2.28 -0.04 0.00 -1.50 0.00 0.00 33.47 29.71 1qk3 s TRP 199 CO 0.01 0.07 -0.08 0.96 -4.62 0.00 0.00 176.95 173.29 1qk3 s ILE 200 N 1.05 3.30 0.18 5.86 -4.36 -1.26 -0.74 121.20 125.22 1qk3 s ILE 200 Ca 0.08 -1.59 0.02 0.00 -0.26 0.00 0.00 60.65 58.90 1qk3 s ILE 200 Cb -0.13 -2.63 -0.05 0.00 1.25 0.00 0.00 42.46 40.90 1qk3 s ILE 200 CO 0.04 -0.09 0.01 0.68 0.24 0.00 0.00 174.94 175.83 1qk3 s VAL 201 N -1.67 0.63 0.00 8.37 -7.23 0.10 -4.56 120.40 116.04 1qk3 s VAL 201 Ca 0.25 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 1qk3 s VAL 201 Cb -0.09 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1qk3 s VAL 201 CO 0.16 -0.43 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 1qk3 n GLY 202 N -0.25 1.52 7.00 2.32 0.00 0.16 -0.87 105.19 115.06 1qk3 n GLY 202 Ca -0.06 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.83 3.38 0.30 0.00 1.51 -0.56 -4.81 117.35 114.35 1qk3 s TYR 205 Ca 0.19 0.20 -0.07 0.00 -1.01 0.00 0.00 57.07 56.38 1qk3 s TYR 205 Cb 0.19 -1.72 -0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1qk3 s TYR 205 CO 0.52 0.57 0.47 0.34 -1.11 0.00 0.00 175.55 176.33 1qk3 s ASP 206 N -2.34 0.43 -0.29 2.29 -1.08 -1.26 -0.67 116.67 113.75 1qk3 s ASP 206 Ca 0.31 -1.25 -0.00 0.00 -0.52 0.00 0.00 52.55 51.09 1qk3 s ASP 206 Cb -0.13 0.62 0.14 0.00 -1.46 0.00 0.00 42.92 42.10 1qk3 s ASP 206 CO 0.24 -1.23 0.31 0.12 0.52 0.00 0.00 175.17 175.13 1qk3 s PHE 207 N -3.45 -0.53 -1.46 -5.34 5.36 -1.26 -4.87 117.98 106.43 1qk3 s PHE 207 Ca 0.27 -0.12 -0.10 0.00 -0.96 0.00 0.00 56.93 56.02 1qk3 s PHE 207 Cb -0.00 -0.42 0.06 0.00 -0.34 0.00 0.00 43.02 42.31 1qk3 s PHE 207 CO 0.15 -0.93 0.92 0.09 -1.46 0.00 0.00 175.22 173.99 1qk3 n ASN 208 N 5.30 -3.89 0.00 6.13 3.02 -1.26 -1.94 115.26 122.62 1qk3 n ASN 208 Ca -0.02 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1qk3 n ASN 208 Cb 0.47 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.64 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 -4.60 -1.33 0.26 3.52 -0.58 -1.26 -4.84 120.64 111.82 1qk3 n GLU 209 Ca -0.05 0.33 0.15 0.00 -0.42 0.00 0.00 57.16 57.17 1qk3 n GLU 209 Cb 0.57 -4.81 0.66 0.00 -0.57 0.00 0.00 31.44 27.29 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 0.00 0.00 -0.27 3.49 2.86 -1.80 -3.12 114.93 116.10 1qk3 h MET 210 Ca 0.00 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.44 1qk3 h MET 210 Cb 0.66 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 32.14 1qk3 h MET 210 CO 0.00 0.08 -0.66 1.19 1.06 0.00 0.00 176.91 178.58 1qk3 n PHE 211 N -3.25 0.97 0.27 -0.22 3.72 -1.26 -4.84 117.46 112.84 1qk3 n PHE 211 Ca -0.00 -1.70 0.15 0.00 -0.05 0.00 0.00 57.45 55.84 1qk3 n PHE 211 Cb 0.32 -0.27 0.76 0.00 -0.94 0.00 0.00 39.48 39.35 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 1.45 0.00 -0.02 -1.08 0.11 -1.89 -2.10 114.38 110.85 1qk3 h ARG 212 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 1qk3 h ARG 212 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 1qk3 h ARG 212 CO 0.27 0.09 0.00 -0.40 0.10 0.00 0.00 179.97 180.03 1qk3 n ASP 213 N -3.41 2.49 -4.53 0.08 5.75 -1.26 -5.01 116.55 110.66 1qk3 n ASP 213 Ca -0.01 -3.06 -0.42 0.00 -0.01 0.00 0.00 54.79 51.28 1qk3 n ASP 213 Cb 0.25 -0.43 -0.08 0.00 -1.03 0.00 0.00 41.12 39.83 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 -2.84 3.14 -0.41 2.11 5.36 -0.79 -4.73 117.98 119.83 1qk3 s PHE 214 Ca 0.32 -0.03 0.06 0.00 -0.96 0.00 0.00 56.93 56.32 1qk3 s PHE 214 Cb 0.28 -3.04 0.67 0.00 -0.34 0.00 0.00 43.02 40.59 1qk3 s PHE 214 CO 0.04 -0.67 1.85 -0.25 -1.46 0.00 0.00 175.22 174.72 1qk3 n ASP 215 N 5.85 3.84 -4.31 6.13 10.43 -1.26 -1.34 116.55 135.89 1qk3 n ASP 215 Ca -0.05 -3.55 -0.16 0.00 2.57 0.00 0.00 54.79 53.61 1qk3 n ASP 215 Cb 0.48 -0.80 -0.10 0.00 1.84 0.00 0.00 41.12 42.54 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 -3.23 1.50 -0.09 1.24 3.76 -1.26 -3.66 115.29 113.54 1qk3 s HIS 216 Ca 0.55 -1.14 -0.02 0.00 -0.15 0.00 0.00 55.06 54.30 1qk3 s HIS 216 Cb 0.46 -0.87 -0.03 0.00 1.11 0.00 0.00 32.58 33.25 1qk3 s HIS 216 CO 0.10 -0.30 -0.00 0.08 -0.85 0.00 0.00 174.74 173.77 1qk3 s VAL 217 N -3.72 4.27 0.22 -0.90 1.01 -0.42 -3.07 120.40 117.79 1qk3 s VAL 217 Ca 0.35 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.03 1qk3 s VAL 217 Cb 0.07 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1qk3 s VAL 217 CO 0.12 0.59 0.24 0.00 0.00 0.00 0.00 175.10 176.05 1qk3 s ALA 218 N -0.76 0.74 0.31 5.51 0.00 -0.05 -0.68 121.76 126.82 1qk3 s ALA 218 Ca 0.12 -1.45 -0.23 0.00 0.00 0.00 0.00 51.96 50.40 1qk3 s ALA 218 Cb -0.11 1.29 -0.10 0.00 0.00 0.00 0.00 23.12 24.20 1qk3 s ALA 218 CO 0.02 -0.67 0.88 0.08 0.00 0.00 0.00 175.76 176.07 1qk3 s VAL 219 N -4.11 4.34 -0.05 0.00 1.01 -1.26 -0.72 120.40 119.61 1qk3 s VAL 219 Ca 0.34 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.64 1qk3 s VAL 219 Cb 0.05 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 1qk3 s VAL 219 CO 0.11 0.09 1.45 -0.22 0.00 0.00 0.00 175.10 176.53 1qk3 s LEU 220 N -2.21 4.29 0.52 3.92 2.96 0.08 -4.82 118.68 123.43 1qk3 s LEU 220 Ca 0.50 2.08 -0.07 0.00 -0.22 0.00 0.00 54.13 56.41 1qk3 s LEU 220 Cb -0.17 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1qk3 s LEU 220 CO 0.21 -0.79 0.87 -0.94 -1.32 0.00 0.00 176.35 174.38 1qk3 s SER 221 N 2.32 6.26 0.36 3.68 1.04 -1.26 -4.94 113.70 121.17 1qk3 s SER 221 Ca 0.65 1.10 0.15 0.00 0.48 0.00 0.00 55.95 58.34 1qk3 s SER 221 Cb -0.30 -2.33 0.67 0.00 0.10 0.00 0.00 66.02 64.16 1qk3 s SER 221 CO 0.25 -0.67 1.76 0.44 0.98 0.00 0.00 173.24 176.00 1qk3 h ASP 222 N 0.09 0.00 -0.45 7.02 3.32 -1.94 0.49 116.42 124.95 1qk3 h ASP 222 Ca -0.46 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.55 1qk3 h ASP 222 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1qk3 h ASP 222 CO 0.62 0.42 0.14 0.00 -1.72 0.00 0.00 179.24 178.69 1qk3 h ALA 223 N 1.58 0.58 -0.11 3.45 0.00 -1.93 0.88 119.26 123.71 1qk3 h ALA 223 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1qk3 h ALA 223 Cb 0.83 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1qk3 h ALA 223 CO 0.05 0.24 0.04 0.00 0.00 0.00 0.00 179.25 179.58 1qk3 h ALA 224 N 0.99 0.15 -0.24 0.00 0.00 -1.77 -1.99 119.26 116.39 1qk3 h ALA 224 Ca 0.14 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1qk3 h ALA 224 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1qk3 h ALA 224 CO -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 179.25 178.98 1qk3 h ARG 225 N 0.00 0.37 0.83 0.00 3.08 -0.52 -3.05 114.38 115.09 1qk3 h ARG 225 Ca 0.04 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1qk3 h ARG 225 Cb 0.21 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.21 1qk3 h ARG 225 CO -0.00 0.42 -0.40 0.87 -1.07 0.00 0.00 179.97 179.79 1qk3 h LYS 226 N 0.36 -1.08 -0.86 0.04 1.79 0.11 -3.11 116.57 113.82 1qk3 h LYS 226 Ca 0.08 0.07 0.16 0.00 -2.18 0.00 0.00 60.65 58.79 1qk3 h LYS 226 Cb 0.28 0.24 -0.16 0.00 -1.58 0.00 0.00 32.23 31.02 1qk3 h LYS 226 CO 0.01 -0.71 -0.24 1.63 -1.08 0.00 0.00 179.45 179.06 1qk3 n LYS 227 N -5.54 -0.10 0.00 3.15 4.76 -0.77 -5.09 118.16 114.57 1qk3 n LYS 227 Ca -0.14 1.33 0.07 0.00 -2.87 0.00 0.00 58.31 56.70 1qk3 n LYS 227 Cb 0.45 -1.99 0.06 0.00 -1.84 0.00 0.00 35.03 31.71 1qk3 n LYS 227 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37