#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 0.88 -2.49 3.04 0.00 -1.84 -3.46 119.26 115.39 1qk3 h ALA 2 Ca 0.00 -0.18 -0.48 0.00 0.00 0.00 0.00 54.91 54.25 1qk3 h ALA 2 Cb 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1qk3 h ALA 2 CO 0.00 0.25 0.40 -1.54 0.00 0.00 0.00 179.25 178.35 1qk3 s SER 3 N -6.28 6.91 -0.28 0.00 1.04 -1.26 -4.89 113.70 108.95 1qk3 s SER 3 Ca 0.05 1.99 -0.16 0.00 0.48 0.00 0.00 55.95 58.31 1qk3 s SER 3 Cb 0.06 -2.58 0.09 0.00 0.10 0.00 0.00 66.02 63.69 1qk3 s SER 3 CO 0.69 -0.38 0.73 -0.75 0.98 0.00 0.00 173.24 174.51 1qk3 s LYS 4 N -2.38 0.66 0.32 4.02 2.20 -1.26 -5.14 119.74 118.16 1qk3 s LYS 4 Ca 0.56 1.15 -0.29 0.00 -0.36 0.00 0.00 55.97 57.03 1qk3 s LYS 4 Cb -0.21 0.14 -0.12 0.00 -1.51 0.00 0.00 37.83 36.12 1qk3 s LYS 4 CO 0.27 -0.14 1.33 -2.30 -0.36 0.00 0.00 175.35 174.15 1qk3 n PRO 5 N 4.25 2.16 -0.04 4.03 -0.02 -1.26 -4.69 135.00 139.43 1qk3 n PRO 5 Ca -0.20 0.76 0.04 0.00 -2.02 0.00 0.00 63.50 62.09 1qk3 n PRO 5 Cb 0.59 -2.37 0.41 0.00 -0.02 0.00 0.00 33.50 32.11 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 2.69 1.09 0.00 4.25 1.08 -1.95 -1.69 117.51 122.98 1qk3 h ILE 6 Ca -0.46 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 1qk3 h ILE 6 Cb 1.28 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 35.47 1qk3 h ILE 6 CO 0.66 0.11 0.00 -1.84 -0.69 0.00 0.00 178.15 176.39 1qk3 n GLU 7 N -4.47 0.10 0.00 2.37 0.28 -1.26 -2.14 120.64 115.52 1qk3 n GLU 7 Ca 0.05 0.47 0.14 0.00 -0.16 0.00 0.00 57.16 57.65 1qk3 n GLU 7 Cb 0.09 -1.74 0.55 0.00 1.43 0.00 0.00 31.44 31.77 1qk3 n GLU 7 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1qk3 n ASP 8 N -1.93 0.74 -4.70 -1.84 8.00 -0.64 -4.92 116.55 111.27 1qk3 n ASP 8 Ca 0.01 -0.81 -0.44 0.00 0.71 0.00 0.00 54.79 54.26 1qk3 n ASP 8 Cb 0.11 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 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 -0.72 2.57 -0.25 1.24 9.36 -0.91 -1.83 117.16 126.62 1qk3 n TYR 9 Ca 0.15 0.08 0.00 0.00 3.32 0.00 0.00 57.90 61.45 1qk3 n TYR 9 Cb 0.30 -2.64 0.00 0.00 -0.63 0.00 0.00 39.34 36.37 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 3.85 1.10 0.08 2.98 0.00 -1.26 -4.91 105.19 107.03 1qk3 n GLY 10 Ca 0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 0.62 -2.54 1.61 5.02 -0.76 -0.57 118.16 119.54 1qk3 n LYS 11 Ca 0.00 0.04 -0.20 0.00 -2.02 0.00 0.00 58.31 56.12 1qk3 n LYS 11 Cb 0.00 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 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 -0.46 3.68 0.72 0.00 -1.25 -4.76 105.19 104.34 1qk3 n GLY 12 Ca -0.02 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 1qk3 n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qk3 s LYS 13 N -5.18 4.24 0.00 1.61 2.20 -1.26 -2.48 119.74 118.87 1qk3 s LYS 13 Ca 0.08 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 57.73 1qk3 s LYS 13 Cb -0.03 -3.72 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1qk3 s LYS 13 CO 0.10 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.81 1qk3 n GLY 14 N 3.83 0.49 3.82 5.54 0.00 -1.26 -5.03 105.19 112.58 1qk3 n GLY 14 Ca 0.15 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.21 2.42 -0.25 1.61 1.70 -1.03 -5.02 118.95 118.18 1qk3 s ARG 15 Ca 0.00 0.67 -0.19 0.00 -0.47 0.00 0.00 55.73 55.75 1qk3 s ARG 15 Cb 0.00 -1.95 -0.03 0.00 -0.57 0.00 0.00 34.95 32.40 1qk3 s ARG 15 CO 0.00 -1.39 0.54 0.42 -1.08 0.00 0.00 175.30 173.79 1qk3 s ILE 16 N -3.17 5.06 0.57 4.99 1.01 -1.26 -5.03 121.20 123.37 1qk3 s ILE 16 Ca 0.60 0.95 -0.21 0.00 0.00 0.00 0.00 60.65 61.99 1qk3 s ILE 16 Cb -0.14 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 1qk3 s ILE 16 CO 0.54 0.09 1.26 -0.62 0.00 0.00 0.00 174.94 176.21 1qk3 n GLU 17 N 5.41 1.43 -1.24 2.79 -0.58 -1.26 -4.71 120.64 122.48 1qk3 n GLU 17 Ca -0.03 0.53 -0.29 0.00 -0.42 0.00 0.00 57.16 56.94 1qk3 n GLU 17 Cb 0.50 -2.47 0.14 0.00 -0.57 0.00 0.00 31.44 29.04 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 -2.91 1.16 0.21 3.49 0.04 -1.26 -4.97 135.00 130.76 1qk3 s PRO 18 Ca 0.74 0.73 -0.31 0.00 0.04 0.00 0.00 61.00 62.20 1qk3 s PRO 18 Cb -0.42 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 1qk3 s PRO 18 CO 0.47 -2.29 1.52 1.41 0.04 0.00 0.00 177.00 178.15 1qk3 s MET 19 N -4.97 4.23 -0.27 4.56 -2.45 -0.84 -4.73 119.30 114.84 1qk3 s MET 19 Ca 0.64 2.36 -0.12 0.00 -1.25 0.00 0.00 55.69 57.31 1qk3 s MET 19 Cb -0.18 -3.12 -0.05 0.00 1.25 0.00 0.00 34.83 32.74 1qk3 s MET 19 CO 0.57 -0.53 0.25 -0.47 1.05 0.00 0.00 175.02 175.88 1qk3 s TYR 20 N 0.54 3.25 -0.37 4.11 5.04 -1.26 -0.94 117.35 127.71 1qk3 s TYR 20 Ca 0.65 0.24 -0.11 0.00 -2.44 0.00 0.00 57.07 55.41 1qk3 s TYR 20 Cb -0.43 -2.42 0.02 0.00 0.35 0.00 0.00 41.96 39.47 1qk3 s TYR 20 CO 0.38 -0.13 0.21 0.42 -1.34 0.00 0.00 175.55 175.09 1qk3 s ILE 21 N 1.70 4.69 0.99 3.14 -1.09 -0.45 -4.97 121.20 125.21 1qk3 s ILE 21 Ca 0.10 -0.75 -0.11 0.00 -2.23 0.00 0.00 60.65 57.66 1qk3 s ILE 21 Cb -0.15 -3.58 0.18 0.00 -1.58 0.00 0.00 42.46 37.33 1qk3 s ILE 21 CO 0.09 -0.19 1.09 -2.84 -1.23 0.00 0.00 174.94 171.86 1qk3 s PRO 22 N 1.58 0.47 0.38 2.79 0.02 -1.26 -4.37 135.00 134.62 1qk3 s PRO 22 Ca 0.03 1.15 -0.28 0.00 0.02 0.00 0.00 61.00 61.92 1qk3 s PRO 22 Cb -0.19 -1.69 -0.11 0.00 0.02 0.00 0.00 34.50 32.53 1qk3 s PRO 22 CO 0.07 -2.87 1.43 -0.25 -0.33 0.00 0.00 177.00 175.05 1qk3 n ASP 23 N -4.36 3.45 -4.12 2.53 9.92 -1.26 -3.21 116.55 119.50 1qk3 n ASP 23 Ca 0.08 1.21 -0.30 0.00 -0.53 0.00 0.00 54.79 55.24 1qk3 n ASP 23 Cb 0.53 -1.58 -0.04 0.00 -0.64 0.00 0.00 41.12 39.40 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 0.45 -1.20 -4.30 -2.24 5.15 -1.26 -4.97 115.26 106.90 1qk3 n ASN 24 Ca 0.03 -1.06 -0.34 0.00 -0.60 0.00 0.00 54.58 52.61 1qk3 n ASN 24 Cb 0.38 -2.69 -0.15 0.00 -0.53 0.00 0.00 39.78 36.80 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 -3.77 2.99 0.20 -0.44 2.01 -1.20 -5.11 115.64 110.31 1qk3 s THR 25 Ca 0.28 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 61.60 1qk3 s THR 25 Cb -0.16 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1qk3 s THR 25 CO 0.92 0.48 0.18 -0.36 -0.69 0.00 0.00 174.62 175.16 1qk3 s PHE 26 N 1.01 0.96 0.15 4.92 0.40 -1.26 -4.86 117.98 119.30 1qk3 s PHE 26 Ca -0.01 -1.23 0.04 0.00 -0.60 0.00 0.00 56.93 55.13 1qk3 s PHE 26 Cb -0.15 -0.41 -0.04 0.00 0.51 0.00 0.00 43.02 42.94 1qk3 s PHE 26 CO -0.02 -0.68 0.17 0.71 0.70 0.00 0.00 175.22 176.10 1qk3 s TYR 27 N -4.11 3.23 -0.04 0.36 2.02 0.10 -4.95 117.35 113.96 1qk3 s TYR 27 Ca 0.33 0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.76 1qk3 s TYR 27 Cb 0.06 -1.56 -0.03 0.00 -0.40 0.00 0.00 41.96 40.03 1qk3 s TYR 27 CO 0.10 0.52 1.09 1.21 -1.57 0.00 0.00 175.55 176.90 1qk3 s ASN 28 N -3.08 7.19 0.50 2.29 2.47 -1.26 -0.97 114.94 122.07 1qk3 s ASN 28 Ca 0.32 1.73 0.19 0.00 0.42 0.00 0.00 52.86 55.52 1qk3 s ASN 28 Cb -0.10 -2.56 1.28 0.00 -1.45 0.00 0.00 41.25 38.41 1qk3 s ASN 28 CO 0.25 -0.45 2.09 0.00 -3.72 0.00 0.00 177.10 175.27 1qk3 h ALA 29 N 7.08 1.68 0.00 1.71 0.00 -1.72 -1.79 119.26 126.23 1qk3 h ALA 29 Ca -0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 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 0.83 0.12 -0.00 -0.44 0.00 0.00 0.00 179.25 179.76 1qk3 h ASP 30 N 0.00 0.00 0.26 0.00 3.32 -1.92 -2.30 116.42 115.77 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 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1qk3 h ASP 30 CO 0.01 0.00 -0.03 0.47 -1.72 0.00 0.00 179.24 177.97 1qk3 n ASP 31 N -3.18 0.25 -4.30 6.45 8.00 -0.67 -4.90 116.55 118.19 1qk3 n ASP 31 Ca -0.03 -0.68 -0.18 0.00 0.71 0.00 0.00 54.79 54.61 1qk3 n ASP 31 Cb 0.08 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 40.98 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 -2.29 1.55 -0.22 1.24 0.08 -0.87 -5.10 117.98 112.37 1qk3 s PHE 32 Ca 0.37 -0.60 -0.29 0.00 0.12 0.00 0.00 56.93 56.52 1qk3 s PHE 32 Cb 0.21 -0.76 -0.01 0.00 -0.57 0.00 0.00 43.02 41.90 1qk3 s PHE 32 CO 0.42 0.25 1.25 -0.51 -0.10 0.00 0.00 175.22 176.53 1qk3 s LEU 33 N -3.05 4.06 0.05 -0.37 1.43 -1.26 -5.02 118.68 114.52 1qk3 s LEU 33 Ca 0.18 1.48 0.07 0.00 -1.03 0.00 0.00 54.13 54.83 1qk3 s LEU 33 Cb -0.01 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1qk3 s LEU 33 CO 0.05 -0.87 -0.21 -0.69 0.23 0.00 0.00 176.35 174.86 1qk3 s VAL 34 N 3.78 1.68 0.36 -1.59 1.01 -1.26 -4.89 120.40 119.49 1qk3 s VAL 34 Ca 0.54 -1.24 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 1qk3 s VAL 34 Cb -0.19 -1.47 -0.10 0.00 0.00 0.00 0.00 36.38 34.62 1qk3 s VAL 34 CO 0.17 0.18 1.36 -2.84 0.00 0.00 0.00 175.10 173.97 1qk3 s PRO 35 N -1.27 4.20 0.33 2.72 0.02 -1.26 -4.85 135.00 134.90 1qk3 s PRO 35 Ca 0.07 2.32 0.03 0.00 0.02 0.00 0.00 61.00 63.44 1qk3 s PRO 35 Cb -0.09 -2.98 0.63 0.00 0.02 0.00 0.00 34.50 32.08 1qk3 s PRO 35 CO 0.02 -0.35 1.95 -1.35 -0.33 0.00 0.00 177.00 176.93 1qk3 h PRO 36 N 3.13 0.86 0.00 5.54 0.11 -2.00 -1.07 132.00 138.58 1qk3 h PRO 36 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1qk3 h PRO 36 Cb 1.23 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1qk3 h PRO 36 CO 0.64 0.57 0.00 1.12 -0.21 0.00 0.00 178.00 180.13 1qk3 h HIS 37 N 0.89 0.00 0.00 0.65 2.07 -1.99 -2.80 115.15 113.97 1qk3 h HIS 37 Ca 0.33 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.78 1qk3 h HIS 37 Cb 0.18 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.15 1qk3 h HIS 37 CO -0.00 0.00 -1.02 0.00 -3.07 0.00 0.00 177.93 173.84 1qk3 h LYS 39 N 0.00 0.43 0.00 0.00 1.57 -1.18 -0.60 116.57 116.79 1qk3 h LYS 39 Ca -0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1qk3 h LYS 39 Cb 1.25 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1qk3 h LYS 39 CO 0.02 0.28 0.00 -1.35 -0.57 0.00 0.00 179.45 177.84 1qk3 h PRO 40 N 0.44 0.00 -0.01 3.15 0.11 -1.78 -3.01 132.00 130.90 1qk3 h PRO 40 Ca 0.64 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.75 1qk3 h PRO 40 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1qk3 h PRO 40 CO -0.54 0.00 -0.17 0.66 -0.21 0.00 0.00 178.00 177.74 1qk3 n TYR 41 N -2.61 0.00 -4.54 0.65 4.02 -0.25 -4.90 117.16 109.52 1qk3 n TYR 41 Ca -0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.64 1qk3 n TYR 41 Cb 0.15 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.30 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 -1.41 1.15 0.00 -0.72 -1.09 -1.07 -4.46 121.20 113.61 1qk3 s ILE 42 Ca 0.12 -0.48 0.00 0.00 -2.23 0.00 0.00 60.65 58.06 1qk3 s ILE 42 Cb 0.10 -1.06 0.00 0.00 -1.58 0.00 0.00 42.46 39.92 1qk3 s ILE 42 CO 0.26 0.36 0.00 -0.90 -1.23 0.00 0.00 174.94 173.43 1qk3 n ASP 43 N 3.90 3.15 -4.12 3.58 5.75 -1.26 -4.80 116.55 122.76 1qk3 n ASP 43 Ca -0.22 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.39 1qk3 n ASP 43 Cb 0.52 0.54 -0.12 0.00 -1.03 0.00 0.00 41.12 41.03 1qk3 n ASP 43 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1qk3 s LYS 44 N -1.36 0.75 -0.14 0.11 1.02 -1.26 -2.03 119.74 116.83 1qk3 s LYS 44 Ca 0.00 -0.78 -0.03 0.00 0.02 0.00 0.00 55.97 55.19 1qk3 s LYS 44 Cb 0.00 -0.69 -0.03 0.00 -0.52 0.00 0.00 37.83 36.59 1qk3 s LYS 44 CO 0.00 0.16 -0.05 0.42 -0.92 0.00 0.00 175.35 174.96 1qk3 s ILE 45 N -1.07 3.76 -0.12 2.17 1.01 -0.15 -4.61 121.20 122.20 1qk3 s ILE 45 Ca -0.03 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.15 1qk3 s ILE 45 Cb -0.09 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 1qk3 s ILE 45 CO 0.01 0.51 0.05 0.25 0.00 0.00 0.00 174.94 175.77 1qk3 h LEU 46 N 6.49 0.00 -7.73 2.97 5.85 -0.87 0.29 115.31 122.31 1qk3 h LEU 46 Ca -0.33 -0.13 -0.62 0.00 0.84 0.00 0.00 57.88 57.65 1qk3 h LEU 46 Cb 1.19 0.00 -0.37 0.00 0.37 0.00 0.00 40.66 41.85 1qk3 h LEU 46 CO 0.60 0.65 -0.80 -0.76 -0.34 0.00 0.00 178.44 177.80 1qk3 s LEU 47 N -8.42 2.49 0.49 2.25 1.43 -0.64 -4.70 118.68 111.59 1qk3 s LEU 47 Ca -0.06 -1.05 -0.23 0.00 -1.03 0.00 0.00 54.13 51.76 1qk3 s LEU 47 Cb 0.00 -1.23 -0.07 0.00 0.03 0.00 0.00 46.19 44.92 1qk3 s LEU 47 CO 0.15 -0.19 1.20 -2.65 0.23 0.00 0.00 176.35 175.09 1qk3 n PRO 48 N 4.66 1.58 -0.31 1.29 -0.02 -1.26 -0.90 135.00 140.03 1qk3 n PRO 48 Ca -0.13 0.57 0.02 0.00 -2.02 0.00 0.00 63.50 61.94 1qk3 n PRO 48 Cb 0.45 -2.35 0.16 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.51 1.34 1.15 -1.23 0.00 -1.92 -0.67 103.07 103.25 1qk3 h GLY 49 Ca -0.48 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1qk3 h GLY 49 CO 0.57 0.22 0.54 -1.33 0.00 0.00 0.00 176.54 176.53 1qk3 h GLY 50 N 0.93 1.21 1.42 4.60 0.00 -1.90 -0.88 103.07 108.45 1qk3 h GLY 50 Ca 0.40 -0.48 -0.14 0.00 0.00 0.00 0.00 47.33 47.11 1qk3 h GLY 50 CO -0.21 0.47 -0.41 -2.00 0.00 0.00 0.00 176.54 174.40 1qk3 h LEU 51 N 1.16 0.68 -0.51 3.11 5.85 -1.52 -1.28 115.31 122.81 1qk3 h LEU 51 Ca 0.31 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1qk3 h LEU 51 Cb -0.09 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 1qk3 h LEU 51 CO -0.06 1.01 0.32 0.58 -0.34 0.00 0.00 178.44 179.95 1qk3 h VAL 52 N 0.53 1.10 -0.54 1.05 2.07 -0.98 -1.77 116.25 117.71 1qk3 h VAL 52 Ca 0.04 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1qk3 h VAL 52 Cb 0.93 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1qk3 h VAL 52 CO 0.08 0.12 0.17 0.11 0.02 0.00 0.00 177.57 178.07 1qk3 h LYS 53 N 0.65 0.85 -0.89 1.57 1.57 -0.92 -0.14 116.57 119.26 1qk3 h LYS 53 Ca 0.19 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1qk3 h LYS 53 Cb -0.04 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 1qk3 h LYS 53 CO -0.06 0.78 0.52 -0.44 -0.57 0.00 0.00 179.45 179.68 1qk3 h ASP 54 N 0.76 1.07 0.24 0.86 3.32 -0.97 0.11 116.42 121.82 1qk3 h ASP 54 Ca 0.17 -0.07 -0.20 0.00 0.02 0.00 0.00 57.03 56.95 1qk3 h ASP 54 Cb 0.29 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 1qk3 h ASP 54 CO -0.00 0.83 -0.82 0.03 -1.72 0.00 0.00 179.24 177.56 1qk3 h ARG 55 N 1.23 0.45 -0.60 3.56 2.47 -0.90 -2.19 114.38 118.39 1qk3 h ARG 55 Ca 0.32 -0.41 -0.06 0.00 -1.26 0.00 0.00 59.98 58.57 1qk3 h ARG 55 Cb -0.04 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1qk3 h ARG 55 CO -0.06 1.05 0.16 0.28 0.56 0.00 0.00 179.97 181.96 1qk3 h VAL 56 N 0.29 1.25 -0.21 2.04 2.07 -0.73 0.01 116.25 120.96 1qk3 h VAL 56 Ca -0.05 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.63 1qk3 h VAL 56 Cb 1.42 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1qk3 h VAL 56 CO 0.14 0.33 -0.07 -0.08 0.02 0.00 0.00 177.57 177.92 1qk3 h GLU 57 N 0.87 -0.03 -0.53 1.57 4.81 -0.90 -0.64 114.58 119.73 1qk3 h GLU 57 Ca 0.19 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1qk3 h GLU 57 Cb 0.33 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1qk3 h GLU 57 CO -0.00 -0.02 0.34 -0.22 -0.73 0.00 0.00 179.01 178.38 1qk3 h LYS 58 N -0.03 0.66 -0.81 1.92 1.63 -0.93 -1.90 116.57 117.10 1qk3 h LYS 58 Ca 0.11 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1qk3 h LYS 58 Cb 0.19 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 1qk3 h LYS 58 CO -0.23 0.44 0.53 -0.07 -3.45 0.00 0.00 179.45 176.66 1qk3 h LEU 59 N 0.68 0.94 -0.72 5.20 3.38 -0.71 -0.99 115.31 123.09 1qk3 h LEU 59 Ca 0.20 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1qk3 h LEU 59 Cb -0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1qk3 h LEU 59 CO -0.07 0.68 0.09 0.00 0.09 0.00 0.00 178.44 179.24 1qk3 h ALA 60 N 1.48 0.93 -0.52 1.53 0.00 -0.78 0.49 119.26 122.40 1qk3 h ALA 60 Ca 0.30 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1qk3 h ALA 60 Cb -0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1qk3 h ALA 60 CO -0.06 0.66 0.26 -0.92 0.00 0.00 0.00 179.25 179.19 1qk3 h TYR 61 N 1.01 0.74 -0.70 0.00 3.20 -0.91 0.13 116.97 120.43 1qk3 h TYR 61 Ca 0.20 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1qk3 h TYR 61 Cb 0.45 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 1qk3 h TYR 61 CO 0.03 0.57 0.32 -0.44 -1.64 0.00 0.00 178.16 177.01 1qk3 h ASP 62 N 0.69 0.93 -0.44 -2.11 3.32 -0.70 -1.63 116.42 116.48 1qk3 h ASP 62 Ca 0.18 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 1qk3 h ASP 62 Cb 0.10 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1qk3 h ASP 62 CO -0.02 0.81 0.15 0.40 -1.72 0.00 0.00 179.24 178.86 1qk3 h ILE 63 N 0.98 1.22 -0.44 0.35 2.04 -0.69 -2.21 117.51 118.76 1qk3 h ILE 63 Ca 0.24 -0.70 -0.07 0.00 1.00 0.00 0.00 64.86 65.33 1qk3 h ILE 63 Cb 0.14 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1qk3 h ILE 63 CO -0.03 0.25 -0.02 -0.74 0.00 0.00 0.00 178.15 177.62 1qk3 h HIS 64 N 0.58 0.76 -0.22 1.37 2.76 -0.67 -2.05 115.15 117.67 1qk3 h HIS 64 Ca 0.15 -0.10 -0.09 0.00 -2.20 0.00 0.00 60.37 58.12 1qk3 h HIS 64 Cb 0.24 -0.21 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 1qk3 h HIS 64 CO 0.01 0.72 -0.23 -0.09 -1.30 0.00 0.00 177.93 177.04 1qk3 h ARG 65 N 0.67 0.55 -0.95 5.26 2.43 -1.23 -1.62 114.38 119.48 1qk3 h ARG 65 Ca 0.13 -0.29 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 1qk3 h ARG 65 Cb 0.44 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1qk3 h ARG 65 CO 0.02 0.88 0.60 1.15 -1.51 0.00 0.00 179.97 181.10 1qk3 h THR 66 N 0.24 1.25 -0.65 0.20 2.02 -0.95 -3.12 112.91 111.91 1qk3 h THR 66 Ca 0.03 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1qk3 h THR 66 Cb 0.78 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1qk3 h THR 66 CO 0.06 0.26 0.00 -1.22 0.37 0.00 0.00 175.52 174.99 1qk3 n TYR 67 N -4.37 1.25 -1.67 3.16 4.02 -0.81 -2.45 117.16 116.29 1qk3 n TYR 67 Ca 0.11 -0.58 -0.45 0.00 -0.01 0.00 0.00 57.90 56.98 1qk3 n TYR 67 Cb 0.04 -0.16 -0.02 0.00 -0.02 0.00 0.00 39.34 39.18 1qk3 n TYR 67 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1qk3 n PHE 68 N 1.21 2.10 -0.61 -0.72 7.35 -0.61 -1.40 117.46 124.78 1qk3 n PHE 68 Ca 0.24 0.47 0.00 0.00 -0.76 0.00 0.00 57.45 57.41 1qk3 n PHE 68 Cb 0.78 -2.44 0.00 0.00 0.35 0.00 0.00 39.48 38.17 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 1.90 1.26 3.51 7.13 0.00 -1.26 -4.92 105.19 112.82 1qk3 n GLY 69 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.20 1.85 -0.05 1.61 0.41 -0.49 -4.93 118.70 116.89 1qk3 s GLU 70 Ca 0.00 -1.39 -0.30 0.00 -0.41 0.00 0.00 54.97 52.87 1qk3 s GLU 70 Cb 0.00 -2.03 -0.03 0.00 -1.78 0.00 0.00 34.13 30.29 1qk3 s GLU 70 CO 0.00 0.42 1.14 -2.00 -0.49 0.00 0.00 175.26 174.33 1qk3 s GLU 71 N -2.82 4.39 -0.10 1.61 2.12 -1.26 -4.79 118.70 117.85 1qk3 s GLU 71 Ca 0.24 1.60 0.04 0.00 0.36 0.00 0.00 54.97 57.20 1qk3 s GLU 71 Cb -0.08 -3.53 -0.00 0.00 0.26 0.00 0.00 34.13 30.77 1qk3 s GLU 71 CO 0.13 -0.38 -0.22 -1.17 -0.54 0.00 0.00 175.26 173.08 1qk3 s LEU 72 N 2.00 2.19 -0.25 2.70 2.96 -1.26 -4.24 118.68 122.78 1qk3 s LEU 72 Ca 0.54 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1qk3 s LEU 72 Cb -0.23 -1.44 0.01 0.00 0.50 0.00 0.00 46.19 45.04 1qk3 s LEU 72 CO 0.22 0.18 -0.02 -1.00 -1.32 0.00 0.00 176.35 174.40 1qk3 s HIS 73 N 0.24 3.06 -0.23 5.38 3.76 -0.63 -1.06 115.29 125.81 1qk3 s HIS 73 Ca -0.15 -1.29 -0.07 0.00 -0.15 0.00 0.00 55.06 53.41 1qk3 s HIS 73 Cb -0.17 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 31.38 1qk3 s HIS 73 CO 0.07 -0.66 0.05 0.42 -0.85 0.00 0.00 174.74 173.78 1qk3 s ILE 74 N 1.40 4.26 -0.22 0.60 1.01 -0.13 -1.25 121.20 126.88 1qk3 s ILE 74 Ca 0.02 -0.19 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1qk3 s ILE 74 Cb -0.16 -2.97 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 1qk3 s ILE 74 CO -0.03 0.37 0.25 -0.63 0.00 0.00 0.00 174.94 174.90 1qk3 s ILE 75 N 1.40 5.30 -0.42 2.92 1.01 0.44 -0.83 121.20 131.03 1qk3 s ILE 75 Ca 0.05 0.39 -0.17 0.00 0.00 0.00 0.00 60.65 60.93 1qk3 s ILE 75 Cb -0.15 -3.59 0.02 0.00 0.01 0.00 0.00 42.46 38.76 1qk3 s ILE 75 CO 0.03 0.32 0.40 0.00 0.00 0.00 0.00 174.94 175.69 1qk3 s ILE 77 N 2.02 4.39 -1.37 0.00 -1.09 -1.05 -1.74 121.20 122.36 1qk3 s ILE 77 Ca 0.10 1.77 -0.07 0.00 -2.23 0.00 0.00 60.65 60.23 1qk3 s ILE 77 Cb -0.18 -4.13 0.09 0.00 -1.58 0.00 0.00 42.46 36.66 1qk3 s ILE 77 CO 0.13 0.17 2.44 0.18 -1.23 0.00 0.00 174.94 176.62 1qk3 n LEU 78 N 3.66 8.06 -4.70 2.97 4.77 -0.63 -4.88 117.00 126.25 1qk3 n LEU 78 Ca 0.07 -4.78 -0.35 0.00 -0.03 0.00 0.00 56.01 50.91 1qk3 n LEU 78 Cb 0.48 -1.40 -0.09 0.00 -2.33 0.00 0.00 43.42 40.08 1qk3 n LEU 78 CO 0.54 2.01 -0.25 -0.54 -1.33 0.00 0.00 177.39 177.81 1qk3 s LYS 79 N -0.46 3.52 1.19 3.23 -0.14 -1.26 -4.79 119.74 121.02 1qk3 s LYS 79 Ca 0.56 -0.32 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 1qk3 s LYS 79 Cb 0.18 -3.06 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 1qk3 s LYS 79 CO -0.08 0.53 0.00 0.41 -0.76 0.00 0.00 175.35 175.45 1qk3 n GLY 80 N 2.71 1.36 3.76 -3.33 0.00 -1.26 -4.71 105.19 103.72 1qk3 n GLY 80 Ca -0.18 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 1qk3 n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qk3 s SER 81 N -4.00 4.45 0.00 1.61 1.04 -1.26 -4.97 113.70 110.58 1qk3 s SER 81 Ca 0.00 1.89 0.24 0.00 0.48 0.00 0.00 55.95 58.56 1qk3 s SER 81 Cb 0.00 -2.53 0.39 0.00 0.10 0.00 0.00 66.02 63.98 1qk3 s SER 81 CO 0.00 -2.07 1.37 -2.11 0.98 0.00 0.00 173.24 171.41 1qk3 n ARG 82 N -3.40 2.30 -0.20 4.02 0.00 -1.26 -4.67 116.66 113.45 1qk3 n ARG 82 Ca 0.10 -1.91 -0.10 0.00 -0.00 0.00 0.00 57.85 55.93 1qk3 n ARG 82 Cb 0.53 -1.48 -0.06 0.00 -0.00 0.00 0.00 32.46 31.45 1qk3 n ARG 82 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1qk3 h GLY 83 N 4.69 -0.63 0.97 2.89 0.00 -1.93 -2.34 103.07 106.71 1qk3 h GLY 83 Ca 0.00 0.62 -0.01 0.00 0.00 0.00 0.00 47.33 47.94 1qk3 h GLY 83 CO 0.00 -0.13 0.23 -2.75 0.00 0.00 0.00 176.54 173.88 1qk3 h PHE 84 N -0.26 0.61 -0.76 5.60 3.57 -1.89 -2.74 116.94 121.07 1qk3 h PHE 84 Ca 0.15 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1qk3 h PHE 84 Cb 0.56 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 1qk3 h PHE 84 CO -0.74 0.47 0.44 0.35 -2.23 0.00 0.00 178.31 176.61 1qk3 h PHE 85 N 0.56 0.81 -0.44 0.41 3.57 -1.85 -1.88 116.94 118.12 1qk3 h PHE 85 Ca 0.15 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1qk3 h PHE 85 Cb 0.08 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 1qk3 h PHE 85 CO -0.02 0.38 0.23 -0.91 -2.23 0.00 0.00 178.31 175.77 1qk3 h ASN 86 N 0.80 0.56 -0.40 0.41 2.35 -1.14 -0.75 115.58 117.40 1qk3 h ASN 86 Ca 0.34 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.95 1qk3 h ASN 86 Cb 0.21 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1qk3 h ASN 86 CO -0.19 0.51 0.13 0.25 -1.65 0.00 0.00 177.43 176.48 1qk3 h LEU 87 N 0.57 0.58 -0.55 1.61 5.85 -1.21 -1.08 115.31 121.10 1qk3 h LEU 87 Ca 0.15 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1qk3 h LEU 87 Cb 0.08 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1qk3 h LEU 87 CO -0.02 0.63 0.31 0.25 -0.34 0.00 0.00 178.44 179.26 1qk3 h LEU 88 N 0.50 0.67 -0.64 2.25 5.85 -1.19 -2.55 115.31 120.21 1qk3 h LEU 88 Ca 0.13 -0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1qk3 h LEU 88 Cb 0.25 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1qk3 h LEU 88 CO -0.00 0.56 0.12 0.40 -0.34 0.00 0.00 178.44 179.18 1qk3 h ILE 89 N 0.73 1.26 -0.47 4.05 1.08 -0.97 -1.45 117.51 121.75 1qk3 h ILE 89 Ca 0.19 -0.99 0.05 0.00 -0.39 0.00 0.00 64.86 63.72 1qk3 h ILE 89 Cb 0.03 0.67 -0.05 0.00 -3.07 0.00 0.00 36.82 34.40 1qk3 h ILE 89 CO -0.03 0.37 0.20 0.44 -0.69 0.00 0.00 178.15 178.44 1qk3 h ASP 90 N 0.96 0.25 -0.41 1.72 3.32 -0.85 0.13 116.42 121.54 1qk3 h ASP 90 Ca 0.20 0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 1qk3 h ASP 90 Cb 0.41 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1qk3 h ASP 90 CO 0.01 0.18 -0.20 1.88 -1.72 0.00 0.00 179.24 179.38 1qk3 h TYR 91 N 0.39 0.99 -0.75 4.55 -1.99 -1.21 -2.28 116.97 116.66 1qk3 h TYR 91 Ca 0.21 -0.25 -0.01 0.00 2.00 0.00 0.00 58.73 60.69 1qk3 h TYR 91 Cb 0.18 -0.23 -0.04 0.00 2.00 0.00 0.00 36.73 38.64 1qk3 h TYR 91 CO -0.13 1.02 0.42 -0.07 -0.00 0.00 0.00 178.16 179.40 1qk3 h LEU 92 N 0.67 0.91 -0.62 3.88 3.38 -1.02 -1.10 115.31 121.41 1qk3 h LEU 92 Ca 0.09 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1qk3 h LEU 92 Cb 0.76 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1qk3 h LEU 92 CO 0.06 0.72 0.22 0.00 0.09 0.00 0.00 178.44 179.54 1qk3 h ALA 93 N 1.43 0.81 -0.38 1.53 0.00 -0.60 -0.96 119.26 121.09 1qk3 h ALA 93 Ca 0.27 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1qk3 h ALA 93 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1qk3 h ALA 93 CO -0.05 0.46 0.06 1.15 0.00 0.00 0.00 179.25 180.87 1qk3 h THR 94 N 0.88 1.24 -0.40 0.00 2.02 -0.83 -2.25 112.91 113.56 1qk3 h THR 94 Ca 0.20 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1qk3 h THR 94 Cb 0.25 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 1qk3 h THR 94 CO -0.01 0.29 0.23 0.40 0.37 0.00 0.00 175.52 176.80 1qk3 h ILE 95 N 0.48 1.15 -0.84 3.11 2.04 -1.14 -2.68 117.51 119.63 1qk3 h ILE 95 Ca 0.12 -0.36 0.12 0.00 1.00 0.00 0.00 64.86 65.73 1qk3 h ILE 95 Cb 0.36 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1qk3 h ILE 95 CO 0.01 0.15 0.55 -0.61 0.00 0.00 0.00 178.15 178.24 1qk3 h GLN 96 N 0.53 0.69 0.00 2.37 4.15 -1.08 0.30 115.11 122.07 1qk3 h GLN 96 Ca 0.14 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 1qk3 h GLN 96 Cb 0.04 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 1qk3 h GLN 96 CO -0.02 0.46 -0.07 -0.22 -1.93 0.00 0.00 178.83 177.04 1qk3 h LYS 97 N 0.71 0.00 0.00 1.69 3.64 -1.05 -3.36 116.57 118.20 1qk3 h LYS 97 Ca 0.40 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1qk3 h LYS 97 Cb 0.57 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1qk3 h LYS 97 CO -0.17 0.07 -1.09 0.66 -2.27 0.00 0.00 179.45 176.66 1qk3 n TYR 98 N -4.44 0.00 -2.68 1.91 4.02 -0.60 -4.68 117.16 110.69 1qk3 n TYR 98 Ca -0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.44 1qk3 n TYR 98 Cb 0.15 -0.06 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 1qk3 n TYR 98 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1qk3 s SER 99 N -4.04 6.23 0.00 7.72 0.15 0.96 -3.28 113.70 121.44 1qk3 s SER 99 Ca -0.02 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1qk3 s SER 99 Cb 0.01 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1qk3 s SER 99 CO 0.04 -1.58 0.00 0.61 1.20 0.00 0.00 173.24 173.50 1qk3 n GLY 100 N 5.28 0.91 0.39 9.45 0.00 -1.26 -4.67 105.19 115.29 1qk3 n GLY 100 Ca 0.02 -0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.17 1qk3 n GLY 100 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qk3 h ARG 101 N 3.03 0.44 -5.07 1.61 2.43 -1.74 -3.28 114.38 111.80 1qk3 h ARG 101 Ca 0.00 -0.03 -0.72 0.00 -0.81 0.00 0.00 59.98 58.43 1qk3 h ARG 101 Cb 0.00 -0.10 -0.13 0.00 -0.42 0.00 0.00 29.97 29.32 1qk3 h ARG 101 CO 0.00 0.29 1.78 0.39 -1.51 0.00 0.00 179.97 180.92 1qk3 n GLU 102 N -4.50 3.30 0.00 0.20 1.02 -1.26 -4.90 120.64 114.50 1qk3 n GLU 102 Ca 0.16 -3.57 0.00 0.00 -0.02 0.00 0.00 57.16 53.73 1qk3 n GLU 102 Cb 0.57 -3.21 0.00 0.00 -0.02 0.00 0.00 31.44 28.78 1qk3 n GLU 102 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1qk3 n SER 103 N 6.58 0.00 -2.03 1.62 2.88 -1.24 -4.95 113.62 116.48 1qk3 n SER 103 Ca 0.42 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.75 1qk3 n SER 103 Cb 0.43 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.03 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 0.00 4.24 -4.55 -3.46 2.88 -1.26 -4.86 113.62 106.60 1qk3 n SER 104 Ca 0.00 -3.34 -0.37 0.00 -1.33 0.00 0.00 58.87 53.83 1qk3 n SER 104 Cb 0.00 -0.82 -0.03 0.00 -0.75 0.00 0.00 64.21 62.61 1qk3 n SER 104 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1qk3 s VAL 105 N -2.89 3.32 0.12 2.46 1.01 -1.26 -4.95 120.40 118.21 1qk3 s VAL 105 Ca 0.47 0.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.28 1qk3 s VAL 105 Cb 0.39 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 1qk3 s VAL 105 CO 0.07 -0.80 1.55 -2.16 0.00 0.00 0.00 175.10 173.76 1qk3 s PRO 106 N 7.20 4.23 0.71 2.72 0.04 -1.26 -4.99 135.00 143.65 1qk3 s PRO 106 Ca 0.71 2.28 -0.14 0.00 0.04 0.00 0.00 61.00 63.89 1qk3 s PRO 106 Cb -0.13 -3.30 0.03 0.00 0.04 0.00 0.00 34.50 31.14 1qk3 s PRO 106 CO 0.20 -0.60 1.14 -1.25 0.04 0.00 0.00 177.00 176.52 1qk3 s PRO 107 N 1.56 2.43 0.78 0.56 0.04 -1.26 -4.72 135.00 134.40 1qk3 s PRO 107 Ca 0.70 1.49 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 1qk3 s PRO 107 Cb -0.41 -1.90 0.07 0.00 0.04 0.00 0.00 34.50 32.30 1qk3 s PRO 107 CO 0.31 -1.55 1.14 -0.59 0.04 0.00 0.00 177.00 176.35 1qk3 s PHE 108 N -2.31 2.18 -0.04 0.56 -0.12 -1.26 -4.76 117.98 112.22 1qk3 s PHE 108 Ca 0.68 1.64 0.01 0.00 -0.05 0.00 0.00 56.93 59.21 1qk3 s PHE 108 Cb -0.23 -3.26 -0.03 0.00 -0.63 0.00 0.00 43.02 38.87 1qk3 s PHE 108 CO 0.45 -2.27 -0.04 -0.06 -0.05 0.00 0.00 175.22 173.25 1qk3 s PHE 109 N -2.51 2.99 -0.07 3.49 0.40 -0.22 -5.02 117.98 117.03 1qk3 s PHE 109 Ca 0.67 0.05 -0.02 0.00 -0.60 0.00 0.00 56.93 57.03 1qk3 s PHE 109 Cb -0.22 -1.69 -0.03 0.00 0.51 0.00 0.00 43.02 41.58 1qk3 s PHE 109 CO 0.51 0.39 0.01 -1.21 0.70 0.00 0.00 175.22 175.63 1qk3 s GLU 110 N -1.13 2.98 0.02 0.44 2.02 -1.26 -0.95 118.70 120.82 1qk3 s GLU 110 Ca 0.15 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.72 1qk3 s GLU 110 Cb -0.11 -2.80 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 1qk3 s GLU 110 CO 0.05 0.70 -0.03 -1.01 0.02 0.00 0.00 175.26 174.98 1qk3 s HIS 111 N -0.92 0.28 -0.16 1.61 3.76 -0.01 -4.92 115.29 114.92 1qk3 s HIS 111 Ca 0.14 -0.50 0.02 0.00 -0.15 0.00 0.00 55.06 54.57 1qk3 s HIS 111 Cb -0.11 -0.20 0.02 0.00 1.11 0.00 0.00 32.58 33.40 1qk3 s HIS 111 CO 0.04 -0.17 -0.20 0.71 -0.85 0.00 0.00 174.74 174.27 1qk3 s TYR 112 N -1.37 2.64 -0.08 1.40 1.51 -1.26 -0.24 117.35 119.95 1qk3 s TYR 112 Ca -0.15 -1.46 0.04 0.00 -1.01 0.00 0.00 57.07 54.50 1qk3 s TYR 112 Cb -0.09 -1.82 -0.00 0.00 -0.11 0.00 0.00 41.96 39.93 1qk3 s TYR 112 CO -0.01 -0.71 -0.22 0.08 -1.11 0.00 0.00 175.55 173.58 1qk3 s VAL 113 N 1.11 1.90 0.04 0.71 1.01 -0.71 -4.95 120.40 119.51 1qk3 s VAL 113 Ca -0.00 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.01 1qk3 s VAL 113 Cb -0.14 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1qk3 s VAL 113 CO -0.08 0.53 0.23 0.00 0.00 0.00 0.00 175.10 175.78 1qk3 s ARG 114 N 0.24 3.48 0.08 2.72 3.03 -1.26 -1.61 118.95 125.64 1qk3 s ARG 114 Ca -0.14 -0.31 0.10 0.00 2.03 0.00 0.00 55.73 57.41 1qk3 s ARG 114 Cb -0.16 -3.04 -0.03 0.00 -1.03 0.00 0.00 34.95 30.68 1qk3 s ARG 114 CO 0.07 0.62 -0.25 -0.51 -1.13 0.00 0.00 175.30 174.10 1qk3 s LEU 115 N -2.25 2.33 -0.01 -1.89 1.43 -1.26 -3.23 118.68 113.80 1qk3 s LEU 115 Ca 0.32 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1qk3 s LEU 115 Cb -0.13 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.77 1qk3 s LEU 115 CO 0.23 0.22 -0.04 -0.54 0.23 0.00 0.00 176.35 176.45 1qk3 s LYS 116 N -1.63 0.45 0.42 1.70 3.01 -0.23 -4.98 119.74 118.48 1qk3 s LYS 116 Ca 0.13 -0.14 -0.23 0.00 -1.01 0.00 0.00 55.97 54.72 1qk3 s LYS 116 Cb -0.10 -0.46 -0.08 0.00 -1.01 0.00 0.00 37.83 36.17 1qk3 s LYS 116 CO 0.05 0.06 1.09 -1.54 0.51 0.00 0.00 175.35 175.51 1qk3 s SER 117 N 0.15 6.54 -0.08 2.83 1.04 -1.26 -0.67 113.70 122.25 1qk3 s SER 117 Ca -0.01 2.12 -0.07 0.00 0.48 0.00 0.00 55.95 58.47 1qk3 s SER 117 Cb -0.05 -2.59 0.03 0.00 0.10 0.00 0.00 66.02 63.51 1qk3 s SER 117 CO -0.00 -0.65 0.21 -0.47 0.98 0.00 0.00 173.24 173.31 1qk3 s TYR 118 N -1.64 -0.24 -0.42 5.02 5.04 -0.47 -4.85 117.35 119.79 1qk3 s TYR 118 Ca 0.60 0.59 -0.15 0.00 -2.44 0.00 0.00 57.07 55.67 1qk3 s TYR 118 Cb -0.24 0.06 0.03 0.00 0.35 0.00 0.00 41.96 42.16 1qk3 s TYR 118 CO 0.29 -0.14 0.33 -1.14 -1.34 0.00 0.00 175.55 173.56 1qk3 s GLN 119 N 0.39 2.99 1.00 4.97 0.74 -1.26 -1.62 119.66 126.87 1qk3 s GLN 119 Ca -0.02 -1.02 -0.12 0.00 0.05 0.00 0.00 55.36 54.25 1qk3 s GLN 119 Cb -0.04 -4.00 0.19 0.00 1.10 0.00 0.00 33.01 30.27 1qk3 s GLN 119 CO -0.02 -0.80 1.08 0.54 -0.55 0.00 0.00 175.29 175.54 1qk3 s ASN 120 N 1.81 2.41 -1.22 6.67 2.20 -1.24 -4.93 114.94 120.64 1qk3 s ASN 120 Ca 0.06 1.60 -0.07 0.00 -0.94 0.00 0.00 52.86 53.51 1qk3 s ASN 120 Cb -0.19 -2.26 0.20 0.00 -2.00 0.00 0.00 41.25 37.00 1qk3 s ASN 120 CO 0.10 -3.32 1.90 -0.67 -2.94 0.00 0.00 177.10 172.17 1qk3 n ASP 121 N -4.34 6.23 -4.27 3.54 -0.08 -1.26 -4.59 116.55 111.78 1qk3 n ASP 121 Ca 0.06 -3.24 -0.17 0.00 -1.51 0.00 0.00 54.79 49.94 1qk3 n ASP 121 Cb 0.54 -1.38 -0.10 0.00 2.34 0.00 0.00 41.12 42.52 1qk3 n ASP 121 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1qk3 s ASN 122 N -0.05 1.25 0.21 1.67 2.20 -1.26 -5.05 114.94 113.91 1qk3 s ASN 122 Ca 0.41 -1.41 0.21 0.00 -0.94 0.00 0.00 52.86 51.13 1qk3 s ASN 122 Cb 0.11 0.20 0.91 0.00 -2.00 0.00 0.00 41.25 40.47 1qk3 s ASN 122 CO -0.00 -0.76 1.65 -1.54 -2.94 0.00 0.00 177.10 173.51 1qk3 n SER 123 N -0.54 0.53 -0.02 3.54 3.41 -1.26 -2.50 113.62 116.78 1qk3 n SER 123 Ca 0.00 0.64 -0.10 0.00 -0.26 0.00 0.00 58.87 59.15 1qk3 n SER 123 Cb 0.66 -0.75 -0.14 0.00 -0.26 0.00 0.00 64.21 63.72 1qk3 n SER 123 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qk3 n THR 124 N -2.09 1.63 -1.97 6.66 -2.24 -1.26 -4.98 114.28 110.03 1qk3 n THR 124 Ca 0.02 -0.78 -0.13 0.00 -2.27 0.00 0.00 64.05 60.89 1qk3 n THR 124 Cb 0.20 -1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 67.29 1qk3 n THR 124 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qk3 n GLY 125 N 1.60 0.34 3.81 3.38 0.00 -1.04 -4.98 105.19 108.31 1qk3 n GLY 125 Ca -0.19 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 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 -4.17 4.09 0.65 1.61 -0.21 -1.26 -4.75 119.66 115.62 1qk3 s GLN 126 Ca 0.00 1.19 -0.15 0.00 0.02 0.00 0.00 55.36 56.42 1qk3 s GLN 126 Cb 0.00 -2.15 -0.01 0.00 1.00 0.00 0.00 33.01 31.85 1qk3 s GLN 126 CO 0.00 -0.16 1.09 -0.51 -2.12 0.00 0.00 175.29 173.59 1qk3 s LEU 127 N -3.30 3.39 0.00 2.90 1.43 -1.26 -3.59 118.68 118.24 1qk3 s LEU 127 Ca 0.63 1.92 -0.07 0.00 -1.03 0.00 0.00 54.13 55.58 1qk3 s LEU 127 Cb -0.11 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.60 1qk3 s LEU 127 CO 0.16 -1.52 0.48 1.07 0.23 0.00 0.00 176.35 176.76 1qk3 n THR 128 N -2.41 0.00 -4.52 5.49 5.66 -0.64 -4.96 114.28 112.89 1qk3 n THR 128 Ca 0.10 -0.87 -0.29 0.00 -3.05 0.00 0.00 64.05 59.94 1qk3 n THR 128 Cb 0.52 0.71 -0.13 0.00 -1.55 0.00 0.00 70.33 69.88 1qk3 n THR 128 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1qk3 s VAL 129 N -2.49 2.19 -0.06 1.08 0.11 -1.26 -1.37 120.40 118.59 1qk3 s VAL 129 Ca 0.14 -1.64 0.05 0.00 -2.93 0.00 0.00 61.98 57.60 1qk3 s VAL 129 Cb -0.02 -1.92 -0.01 0.00 -1.53 0.00 0.00 36.38 32.89 1qk3 s VAL 129 CO 0.10 0.16 -0.22 -0.76 -3.33 0.00 0.00 175.10 171.05 1qk3 s LEU 130 N -1.82 2.24 0.49 2.54 1.43 0.15 -4.87 118.68 118.84 1qk3 s LEU 130 Ca 0.13 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1qk3 s LEU 130 Cb -0.10 -1.43 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 1qk3 s LEU 130 CO 0.05 0.25 0.09 -0.94 0.23 0.00 0.00 176.35 176.03 1qk3 s SER 131 N -0.20 4.20 0.79 2.29 1.04 -1.26 -1.07 113.70 119.49 1qk3 s SER 131 Ca -0.02 -1.47 -0.11 0.00 0.48 0.00 0.00 55.95 54.83 1qk3 s SER 131 Cb -0.13 0.21 0.06 0.00 0.10 0.00 0.00 66.02 66.26 1qk3 s SER 131 CO 0.03 -0.78 1.09 -1.81 0.98 0.00 0.00 173.24 172.75 1qk3 s ASP 132 N -3.91 4.55 0.18 7.02 1.01 -1.20 -4.93 116.67 119.39 1qk3 s ASP 132 Ca 0.20 1.46 -0.33 0.00 0.71 0.00 0.00 52.55 54.59 1qk3 s ASP 132 Cb 0.03 -2.22 -0.13 0.00 1.01 0.00 0.00 42.92 41.61 1qk3 s ASP 132 CO 0.11 -1.95 1.60 -0.67 0.21 0.00 0.00 175.17 174.46 1qk3 n ASP 133 N -3.44 3.29 -0.39 0.27 -0.08 -1.26 -4.91 116.55 110.04 1qk3 n ASP 133 Ca 0.07 1.09 0.03 0.00 -1.51 0.00 0.00 54.79 54.47 1qk3 n ASP 133 Cb 0.55 -1.47 0.09 0.00 2.34 0.00 0.00 41.12 42.64 1qk3 n ASP 133 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1qk3 n LEU 134 N 3.38 2.57 -0.08 -2.67 4.77 -1.26 -4.74 117.00 118.98 1qk3 n LEU 134 Ca 0.16 -2.00 0.23 0.00 -0.03 0.00 0.00 56.01 54.37 1qk3 n LEU 134 Cb 0.31 -0.14 0.70 0.00 -2.33 0.00 0.00 43.42 41.95 1qk3 n LEU 134 CO 0.63 0.64 1.22 0.77 -1.33 0.00 0.00 177.39 179.32 1qk3 h SER 135 N 1.23 0.01 0.39 -1.43 4.64 -1.95 -0.44 113.55 116.02 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 0.64 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1qk3 h SER 135 CO 0.00 0.01 0.00 2.30 -0.87 0.00 0.00 176.83 178.27 1qk3 n ILE 136 N -4.34 1.15 1.28 0.95 -5.35 -1.26 -1.87 119.36 109.91 1qk3 n ILE 136 Ca 0.13 0.37 0.12 0.00 -0.27 0.00 0.00 62.75 63.10 1qk3 n ILE 136 Cb 0.74 -1.26 0.41 0.00 -1.74 0.00 0.00 39.64 37.80 1qk3 n ILE 136 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1qk3 n PHE 137 N -1.84 0.12 -1.68 4.28 3.01 -0.17 -4.87 117.46 116.30 1qk3 n PHE 137 Ca 0.02 -0.06 -0.45 0.00 1.01 0.00 0.00 57.45 57.96 1qk3 n PHE 137 Cb 0.13 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.56 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 0.40 2.21 -2.82 -1.08 3.00 -0.78 -1.79 116.66 115.80 1qk3 n ARG 138 Ca 0.17 0.80 -0.20 0.00 -0.00 0.00 0.00 57.85 58.62 1qk3 n ARG 138 Cb 0.38 -2.56 0.01 0.00 0.00 0.00 0.00 32.46 30.28 1qk3 n ARG 138 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1qk3 n ASP 139 N 3.35 -5.02 -4.63 6.15 2.03 -0.49 -4.86 116.55 113.07 1qk3 n ASP 139 Ca 0.16 -0.13 -0.24 0.00 0.52 0.00 0.00 54.79 55.10 1qk3 n ASP 139 Cb 0.30 -4.14 -0.08 0.00 -0.72 0.00 0.00 41.12 36.48 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 -5.46 2.26 -0.32 -0.67 -0.14 -0.74 -4.32 119.74 110.36 1qk3 s LYS 140 Ca 0.18 -1.38 -0.25 0.00 -1.36 0.00 0.00 55.97 53.16 1qk3 s LYS 140 Cb -0.09 -2.17 0.01 0.00 -1.68 0.00 0.00 37.83 33.90 1qk3 s LYS 140 CO 0.23 0.38 0.89 -1.01 -0.76 0.00 0.00 175.35 175.08 1qk3 s HIS 141 N -2.20 3.17 -0.09 3.18 3.76 -1.26 -0.17 115.29 121.68 1qk3 s HIS 141 Ca 0.30 0.93 0.03 0.00 -0.15 0.00 0.00 55.06 56.17 1qk3 s HIS 141 Cb -0.07 -3.41 -0.01 0.00 1.11 0.00 0.00 32.58 30.20 1qk3 s HIS 141 CO 0.19 -0.66 -0.20 0.08 -0.85 0.00 0.00 174.74 173.30 1qk3 s VAL 142 N 3.23 2.43 -0.22 -0.90 1.01 -0.56 -1.60 120.40 123.79 1qk3 s VAL 142 Ca 0.37 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1qk3 s VAL 142 Cb -0.13 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.30 1qk3 s VAL 142 CO 0.14 0.56 -0.08 -0.22 0.00 0.00 0.00 175.10 175.49 1qk3 s LEU 143 N 0.09 2.78 -0.24 3.92 2.96 -0.38 -1.72 118.68 126.09 1qk3 s LEU 143 Ca -0.09 -0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 53.16 1qk3 s LEU 143 Cb -0.15 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 1qk3 s LEU 143 CO 0.06 -0.04 0.19 -0.63 -1.32 0.00 0.00 176.35 174.61 1qk3 s ILE 144 N 1.41 5.34 -0.17 6.68 1.01 -0.01 -0.42 121.20 135.04 1qk3 s ILE 144 Ca 0.05 0.24 -0.02 0.00 0.00 0.00 0.00 60.65 60.91 1qk3 s ILE 144 Cb -0.14 -3.53 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1qk3 s ILE 144 CO -0.06 0.32 -0.08 -0.69 0.00 0.00 0.00 174.94 174.44 1qk3 s VAL 145 N 1.18 3.36 -0.02 2.92 1.01 0.44 -0.91 120.40 128.38 1qk3 s VAL 145 Ca 0.09 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.56 1qk3 s VAL 145 Cb -0.14 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 1qk3 s VAL 145 CO 0.06 0.48 -0.10 -0.70 0.00 0.00 0.00 175.10 174.84 1qk3 s GLU 146 N 0.78 0.87 0.18 2.72 2.56 -0.67 -2.53 118.70 122.61 1qk3 s GLU 146 Ca -0.03 -0.33 -0.15 0.00 0.00 0.00 0.00 54.97 54.45 1qk3 s GLU 146 Cb -0.15 -0.83 0.14 0.00 2.00 0.00 0.00 34.13 35.29 1qk3 s GLU 146 CO 0.02 0.17 1.69 -0.44 -0.56 0.00 0.00 175.26 176.13 1qk3 h ASP 147 N 6.10 -0.23 -4.98 -1.70 5.19 -1.88 -3.29 116.42 115.64 1qk3 h ASP 147 Ca -0.32 0.11 -0.09 0.00 -0.62 0.00 0.00 57.03 56.11 1qk3 h ASP 147 Cb 1.17 0.20 -0.20 0.00 0.18 0.00 0.00 39.33 40.69 1qk3 h ASP 147 CO 0.49 -0.07 -0.08 -0.51 -3.12 0.00 0.00 179.24 175.94 1qk3 s ILE 148 N -6.18 0.03 -0.24 0.35 2.07 -1.26 -3.08 121.20 112.89 1qk3 s ILE 148 Ca -0.14 -0.27 -0.06 0.00 -1.41 0.00 0.00 60.65 58.77 1qk3 s ILE 148 Cb 0.15 -0.77 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 1qk3 s ILE 148 CO 0.72 -0.15 0.03 -0.69 -1.91 0.00 0.00 174.94 172.94 1qk3 s VAL 149 N -1.26 4.04 0.00 4.00 1.01 -0.50 -5.00 120.40 122.69 1qk3 s VAL 149 Ca -0.12 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1qk3 s VAL 149 Cb -0.03 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1qk3 s VAL 149 CO 0.07 0.37 0.00 -0.67 0.00 0.00 0.00 175.10 174.87 1qk3 n ASP 150 N 4.79 0.00 0.08 3.32 2.03 -1.26 -2.10 116.55 123.42 1qk3 n ASP 150 Ca -0.17 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.11 1qk3 n ASP 150 Cb 0.51 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.84 1qk3 n ASP 150 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1qk3 h THR 151 N 0.00 1.36 0.00 5.18 1.35 -1.95 -3.44 112.91 115.40 1qk3 h THR 151 Ca 0.00 -2.94 0.00 0.00 -0.55 0.00 0.00 66.41 62.92 1qk3 h THR 151 Cb 0.00 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1qk3 h THR 151 CO 0.00 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 1qk3 n GLY 152 N 1.32 0.74 0.08 5.82 0.00 -1.26 -4.44 105.19 107.44 1qk3 n GLY 152 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.12 -0.46 1.61 3.57 -1.96 -1.44 116.94 118.39 1qk3 h PHE 153 Ca 0.00 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.56 1qk3 h PHE 153 Cb 0.00 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 38.65 1qk3 h PHE 153 CO 0.00 0.32 0.11 1.15 -2.23 0.00 0.00 178.31 177.66 1qk3 h THR 154 N -0.11 0.78 0.00 4.41 2.02 -2.00 -1.75 112.91 116.26 1qk3 h THR 154 Ca 0.02 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.07 1qk3 h THR 154 Cb 0.26 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1qk3 h THR 154 CO 0.00 0.05 -0.19 -0.07 0.37 0.00 0.00 175.52 175.68 1qk3 h LEU 155 N 0.26 0.00 0.06 2.58 3.38 -1.98 -1.99 115.31 117.61 1qk3 h LEU 155 Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1qk3 h LEU 155 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1qk3 h LEU 155 CO -0.27 0.19 -0.03 0.74 0.09 0.00 0.00 178.44 179.16 1qk3 h THR 156 N 0.00 1.28 -0.61 0.22 2.02 -0.90 -0.82 112.91 114.11 1qk3 h THR 156 Ca -0.00 -1.27 -0.05 0.00 0.77 0.00 0.00 66.41 65.85 1qk3 h THR 156 Cb 1.06 2.09 -0.03 0.00 -1.74 0.00 0.00 68.15 69.54 1qk3 h THR 156 CO 0.03 0.31 0.19 -0.33 0.37 0.00 0.00 175.52 176.08 1qk3 h GLU 157 N -0.66 0.95 -0.39 6.66 4.39 -1.37 -2.58 114.58 121.58 1qk3 h GLU 157 Ca -0.01 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.43 1qk3 h GLU 157 Cb 0.57 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1qk3 h GLU 157 CO 0.01 0.85 0.04 0.35 -1.16 0.00 0.00 179.01 179.10 1qk3 h PHE 158 N 0.87 0.70 -0.78 4.33 3.57 -1.44 -2.93 116.94 121.26 1qk3 h PHE 158 Ca 0.20 -0.11 0.14 0.00 3.53 0.00 0.00 57.97 61.73 1qk3 h PHE 158 Cb 0.30 -0.19 -0.09 0.00 2.79 0.00 0.00 35.95 38.75 1qk3 h PHE 158 CO 0.02 0.71 0.35 0.78 -2.23 0.00 0.00 178.31 177.94 1qk3 h GLY 159 N 0.49 1.20 1.54 2.40 0.00 -0.97 -1.33 103.07 106.40 1qk3 h GLY 159 Ca 0.11 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 1qk3 h GLY 159 CO 0.01 -0.07 -0.12 0.83 0.00 0.00 0.00 176.54 177.20 1qk3 h GLU 160 N 0.51 0.56 -0.56 4.80 4.39 -1.28 -0.51 114.58 122.48 1qk3 h GLU 160 Ca 0.42 -0.16 -0.07 0.00 0.34 0.00 0.00 59.36 59.89 1qk3 h GLU 160 Cb 0.61 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1qk3 h GLU 160 CO -0.38 0.67 0.08 0.00 -1.16 0.00 0.00 179.01 178.22 1qk3 h ARG 161 N 0.51 0.91 -0.00 2.33 2.47 -1.16 -3.01 114.38 116.43 1qk3 h ARG 161 Ca 0.09 -0.22 -0.20 0.00 -1.26 0.00 0.00 59.98 58.38 1qk3 h ARG 161 Cb 0.51 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 1qk3 h ARG 161 CO 0.03 0.85 -0.89 1.25 0.56 0.00 0.00 179.97 181.78 1qk3 h LEU 162 N 0.86 0.34 -1.96 3.04 5.85 -0.98 -3.17 115.31 119.28 1qk3 h LEU 162 Ca 0.17 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1qk3 h LEU 162 Cb 0.40 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1qk3 h LEU 162 CO 0.01 1.07 0.16 0.11 -0.34 0.00 0.00 178.44 179.44 1qk3 h LYS 163 N 0.15 0.04 0.00 1.25 1.57 -0.97 -2.19 116.57 116.42 1qk3 h LYS 163 Ca -0.05 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1qk3 h LYS 163 Cb 1.51 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.81 1qk3 h LYS 163 CO 0.14 0.03 -0.11 0.00 -0.57 0.00 0.00 179.45 178.94 1qk3 h ALA 164 N 1.89 1.20 -0.12 3.86 0.00 -1.51 -1.90 119.26 122.68 1qk3 h ALA 164 Ca 0.10 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qk3 h ALA 164 Cb 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1qk3 h ALA 164 CO -0.01 0.14 0.00 1.33 0.00 0.00 0.00 179.25 180.71 1qk3 n VAL 165 N -3.51 0.14 -3.19 0.00 0.24 -0.82 -5.01 118.33 106.18 1qk3 n VAL 165 Ca -0.01 -0.41 -0.13 0.00 -2.04 0.00 0.00 64.34 61.75 1qk3 n VAL 165 Cb 0.25 0.75 0.06 0.00 -1.47 0.00 0.00 33.84 33.43 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 1.25 -1.14 3.77 7.63 0.00 -0.71 -4.15 105.19 111.84 1qk3 n GLY 166 Ca 0.17 0.56 -0.30 0.00 0.00 0.00 0.00 46.02 46.45 1qk3 n GLY 166 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qk3 s PRO 167 N -4.18 2.05 0.07 1.61 0.04 -1.26 -1.40 135.00 131.93 1qk3 s PRO 167 Ca 0.39 0.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.15 1qk3 s PRO 167 Cb -0.05 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 1qk3 s PRO 167 CO 0.73 -1.71 1.29 -0.22 0.04 0.00 0.00 177.00 177.13 1qk3 h LYS 168 N -1.16 0.64 -3.37 4.56 3.64 -0.75 -3.43 116.57 116.70 1qk3 h LYS 168 Ca -0.46 -0.48 -0.07 0.00 -1.27 0.00 0.00 60.65 58.36 1qk3 h LYS 168 Cb 1.25 0.09 -0.15 0.00 -0.41 0.00 0.00 32.23 33.01 1qk3 h LYS 168 CO 0.56 1.10 -0.18 -1.54 -2.27 0.00 0.00 179.45 177.12 1qk3 s SER 169 N -6.78 -0.15 -0.07 4.20 1.04 -1.08 -4.73 113.70 106.13 1qk3 s SER 169 Ca -0.12 -0.28 -0.03 0.00 0.48 0.00 0.00 55.95 56.01 1qk3 s SER 169 Cb 0.07 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.64 1qk3 s SER 169 CO 0.85 -0.72 0.13 -0.04 0.98 0.00 0.00 173.24 174.43 1qk3 s MET 170 N -3.19 0.02 0.16 4.02 -1.94 -1.26 -1.50 119.30 115.62 1qk3 s MET 170 Ca -0.01 0.46 0.02 0.00 -1.71 0.00 0.00 55.69 54.45 1qk3 s MET 170 Cb 0.01 -0.30 -0.05 0.00 2.01 0.00 0.00 34.83 36.51 1qk3 s MET 170 CO -0.07 -0.27 -0.01 1.03 -0.01 0.00 0.00 175.02 175.69 1qk3 s ARG 171 N 1.93 1.08 -0.06 2.03 0.52 -0.70 -4.66 118.95 119.09 1qk3 s ARG 171 Ca -0.00 -1.51 0.06 0.00 -0.52 0.00 0.00 55.73 53.75 1qk3 s ARG 171 Cb -0.12 -0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.07 1qk3 s ARG 171 CO -0.05 -0.11 -0.23 0.42 0.02 0.00 0.00 175.30 175.35 1qk3 s ILE 172 N -3.64 1.88 -0.07 1.52 1.01 -1.26 -0.83 121.20 119.82 1qk3 s ILE 172 Ca 0.22 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.96 1qk3 s ILE 172 Cb 0.06 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 1qk3 s ILE 172 CO 0.03 0.53 -0.24 0.00 0.00 0.00 0.00 174.94 175.25 1qk3 s ALA 173 N -0.09 2.20 -0.02 9.38 0.00 -0.08 -1.11 121.76 132.04 1qk3 s ALA 173 Ca -0.04 -1.03 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 1qk3 s ALA 173 Cb -0.13 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.28 1qk3 s ALA 173 CO 0.03 0.40 0.27 -0.08 0.00 0.00 0.00 175.76 176.38 1qk3 s THR 174 N -0.08 0.06 0.15 0.00 -1.32 -0.56 -1.67 115.64 112.21 1qk3 s THR 174 Ca -0.06 -0.47 -0.06 0.00 -1.21 0.00 0.00 61.69 59.89 1qk3 s THR 174 Cb -0.14 -0.55 -0.13 0.00 -1.51 0.00 0.00 72.50 70.17 1qk3 s THR 174 CO 0.05 -0.26 1.38 0.25 -2.21 0.00 0.00 174.62 173.83 1qk3 h LEU 175 N 4.17 0.67 -7.78 9.08 5.85 -1.60 -2.05 115.31 123.64 1qk3 h LEU 175 Ca -0.29 -0.44 -0.22 0.00 0.84 0.00 0.00 57.88 57.76 1qk3 h LEU 175 Cb 1.18 -0.20 -0.27 0.00 0.37 0.00 0.00 40.66 41.75 1qk3 h LEU 175 CO 0.39 1.21 -0.72 -0.69 -0.34 0.00 0.00 178.44 178.29 1qk3 s VAL 176 N -3.66 0.04 -0.05 1.05 1.01 -1.24 -1.01 120.40 116.54 1qk3 s VAL 176 Ca -0.07 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1qk3 s VAL 176 Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 36.38 36.40 1qk3 s VAL 176 CO 0.87 -0.09 -0.18 -1.83 0.00 0.00 0.00 175.10 173.87 1qk3 s GLU 177 N -0.28 1.92 0.07 2.72 -1.05 -0.11 -1.41 118.70 120.57 1qk3 s GLU 177 Ca -0.03 -0.65 -0.18 0.00 -0.15 0.00 0.00 54.97 53.96 1qk3 s GLU 177 Cb -0.02 -1.65 -0.07 0.00 -0.44 0.00 0.00 34.13 31.95 1qk3 s GLU 177 CO -0.00 0.25 0.54 0.15 0.95 0.00 0.00 175.26 177.15 1qk3 s LYS 178 N 0.04 4.11 -0.82 -4.83 1.02 -0.89 -2.04 119.74 116.32 1qk3 s LYS 178 Ca -0.05 0.64 -0.24 0.00 0.02 0.00 0.00 55.97 56.34 1qk3 s LYS 178 Cb -0.12 -3.18 0.05 0.00 -0.52 0.00 0.00 37.83 34.06 1qk3 s LYS 178 CO 0.03 0.62 1.25 1.03 -0.92 0.00 0.00 175.35 177.36 1qk3 s ARG 179 N -1.25 3.33 0.02 1.68 0.52 0.12 -4.94 118.95 118.44 1qk3 s ARG 179 Ca 0.30 -0.78 -0.05 0.00 -0.52 0.00 0.00 55.73 54.68 1qk3 s ARG 179 Cb -0.18 -4.60 -0.01 0.00 0.52 0.00 0.00 34.95 30.67 1qk3 s ARG 179 CO 0.18 -2.06 0.08 -0.08 0.02 0.00 0.00 175.30 173.44 1qk3 s THR 180 N 4.85 0.11 -0.12 0.02 -1.32 -1.26 -3.85 115.64 114.08 1qk3 s THR 180 Ca 0.35 -0.94 -0.22 0.00 -1.21 0.00 0.00 61.69 59.68 1qk3 s THR 180 Cb -0.07 -0.63 -0.03 0.00 -1.51 0.00 0.00 72.50 70.26 1qk3 s THR 180 CO 0.04 -0.52 0.64 -1.81 -2.21 0.00 0.00 174.62 170.76 1qk3 s ASP 181 N -1.76 6.84 0.00 8.08 1.01 -1.26 -4.79 116.67 124.78 1qk3 s ASP 181 Ca -0.10 1.01 0.00 0.00 0.71 0.00 0.00 52.55 54.17 1qk3 s ASP 181 Cb -0.05 -2.37 0.00 0.00 1.01 0.00 0.00 42.92 41.51 1qk3 s ASP 181 CO -0.02 -0.15 0.00 -1.14 0.21 0.00 0.00 175.17 174.08 1qk3 n ARG 182 N 4.16 0.00 0.00 8.23 0.63 -1.26 -5.10 116.66 123.32 1qk3 n ARG 182 Ca -0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 1qk3 n ARG 182 Cb 0.51 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.42 1qk3 n ARG 182 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1qk3 n SER 185 N 0.00 0.00 -4.75 6.15 2.88 -1.26 -4.69 113.62 111.94 1qk3 n SER 185 Ca 0.00 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1qk3 n SER 185 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1qk3 n SER 185 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1qk3 s LEU 186 N 0.00 4.37 0.13 2.46 0.20 -1.26 -4.90 118.68 119.68 1qk3 s LEU 186 Ca 0.00 2.81 0.08 0.00 0.69 0.00 0.00 54.13 57.71 1qk3 s LEU 186 Cb 0.00 -3.64 -0.04 0.00 -0.43 0.00 0.00 46.19 42.09 1qk3 s LEU 186 CO 0.00 -0.76 -0.19 -0.54 -0.29 0.00 0.00 176.35 174.57 1qk3 s LYS 187 N -0.87 1.17 0.72 1.98 1.02 0.26 -4.88 119.74 119.15 1qk3 s LYS 187 Ca 0.58 -1.27 -0.05 0.00 0.02 0.00 0.00 55.97 55.25 1qk3 s LYS 187 Cb -0.44 -1.30 0.09 0.00 -0.52 0.00 0.00 37.83 35.66 1qk3 s LYS 187 CO 0.49 0.28 1.01 0.20 -0.92 0.00 0.00 175.35 176.41 1qk3 s GLY 188 N -2.28 1.74 -0.21 -3.33 0.00 -1.26 -3.97 107.32 98.01 1qk3 s GLY 188 Ca 0.10 -1.25 0.11 0.00 0.00 0.00 0.00 44.72 43.68 1qk3 s GLY 188 CO 0.05 -0.77 -0.00 1.22 0.00 0.00 0.00 173.10 173.60 1qk3 n ASP 189 N -2.92 0.82 -3.90 1.64 8.00 -0.27 -4.34 116.55 115.60 1qk3 n ASP 189 Ca 0.11 -0.02 -0.30 0.00 0.71 0.00 0.00 54.79 55.28 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 2.92 -0.07 1.24 0.40 -0.61 -4.31 117.98 115.05 1qk3 s PHE 190 Ca -0.19 -2.71 0.05 0.00 -0.60 0.00 0.00 56.93 53.48 1qk3 s PHE 190 Cb 0.07 -2.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.10 1qk3 s PHE 190 CO 0.74 -0.86 -0.23 0.08 0.70 0.00 0.00 175.22 175.66 1qk3 s VAL 191 N 0.65 2.26 -0.02 -0.44 1.01 -1.26 -1.50 120.40 121.11 1qk3 s VAL 191 Ca 0.13 -0.99 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 1qk3 s VAL 191 Cb -0.21 -1.85 -0.10 0.00 0.00 0.00 0.00 36.38 34.22 1qk3 s VAL 191 CO -0.08 0.57 0.80 1.23 0.00 0.00 0.00 175.10 177.62 1qk3 h GLY 192 N 6.14 -0.70 -4.79 4.51 0.00 -1.09 -3.38 103.07 103.76 1qk3 h GLY 192 Ca -0.31 0.26 -0.20 0.00 0.00 0.00 0.00 47.33 47.08 1qk3 h GLY 192 CO 0.48 -0.25 -0.71 -1.36 0.00 0.00 0.00 176.54 174.70 1qk3 s PHE 193 N -3.76 0.42 -0.26 5.60 0.40 -0.18 -1.98 117.98 118.22 1qk3 s PHE 193 Ca -0.10 -0.55 -0.07 0.00 -0.60 0.00 0.00 56.93 55.61 1qk3 s PHE 193 Cb 0.01 -0.28 -0.01 0.00 0.51 0.00 0.00 43.02 43.25 1qk3 s PHE 193 CO 0.29 -0.16 0.06 0.45 0.70 0.00 0.00 175.22 176.56 1qk3 s SER 194 N -1.59 5.02 0.30 1.36 0.15 -0.12 -0.94 113.70 117.88 1qk3 s SER 194 Ca -0.12 -0.38 0.07 0.00 0.70 0.00 0.00 55.95 56.22 1qk3 s SER 194 Cb -0.09 -1.89 -0.06 0.00 -1.71 0.00 0.00 66.02 62.27 1qk3 s SER 194 CO -0.01 -0.08 -0.07 0.27 1.20 0.00 0.00 173.24 174.55 1qk3 s ILE 195 N 1.56 1.82 1.01 6.45 -4.36 -0.87 -1.34 121.20 125.49 1qk3 s ILE 195 Ca 0.05 -2.15 -0.12 0.00 -0.26 0.00 0.00 60.65 58.17 1qk3 s ILE 195 Cb -0.16 -2.52 0.20 0.00 1.25 0.00 0.00 42.46 41.24 1qk3 s ILE 195 CO 0.02 -0.26 1.08 -1.83 0.24 0.00 0.00 174.94 174.18 1qk3 s GLU 196 N -3.69 0.28 -1.18 0.37 -1.05 -1.26 -0.70 118.70 111.47 1qk3 s GLU 196 Ca 0.31 0.81 -0.21 0.00 -0.15 0.00 0.00 54.97 55.73 1qk3 s GLU 196 Cb 0.03 -1.70 0.03 0.00 -0.44 0.00 0.00 34.13 32.06 1qk3 s GLU 196 CO 0.13 -2.91 1.71 0.34 0.95 0.00 0.00 175.26 175.49 1qk3 s ASP 197 N -3.07 6.33 0.04 0.83 3.68 -1.25 -4.48 116.67 118.75 1qk3 s ASP 197 Ca 0.66 -1.93 -0.01 0.00 2.13 0.00 0.00 52.55 53.41 1qk3 s ASP 197 Cb -0.21 -2.58 -0.03 0.00 -1.45 0.00 0.00 42.92 38.65 1qk3 s ASP 197 CO 0.60 -1.69 -0.03 0.68 0.13 0.00 0.00 175.17 174.86 1qk3 s VAL 198 N 5.98 0.19 -0.26 1.11 -7.23 -1.26 -5.09 120.40 113.84 1qk3 s VAL 198 Ca 0.55 -1.46 -0.17 0.00 -1.81 0.00 0.00 61.98 59.10 1qk3 s VAL 198 Cb 0.01 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.89 1qk3 s VAL 198 CO 0.03 -0.80 0.45 0.86 -0.31 0.00 0.00 175.10 175.34 1qk3 s TRP 199 N -2.94 3.27 0.25 2.82 -0.11 -1.26 -5.06 118.94 115.90 1qk3 s TRP 199 Ca -0.02 0.55 0.08 0.00 1.22 0.00 0.00 56.10 57.93 1qk3 s TRP 199 Cb 0.01 -2.65 -0.04 0.00 -1.50 0.00 0.00 33.47 29.29 1qk3 s TRP 199 CO -0.06 -0.24 0.07 0.96 -4.62 0.00 0.00 176.95 173.05 1qk3 s ILE 200 N 2.14 3.84 0.06 5.86 -4.36 -1.26 -1.13 121.20 126.36 1qk3 s ILE 200 Ca 0.19 -1.66 -0.06 0.00 -0.26 0.00 0.00 60.65 58.86 1qk3 s ILE 200 Cb -0.16 -3.04 -0.01 0.00 1.25 0.00 0.00 42.46 40.50 1qk3 s ILE 200 CO 0.09 -0.32 0.11 0.68 0.24 0.00 0.00 174.94 175.74 1qk3 s VAL 201 N -2.16 0.16 0.00 8.37 -7.23 0.19 -4.55 120.40 115.18 1qk3 s VAL 201 Ca 0.31 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1qk3 s VAL 201 Cb -0.07 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.58 1qk3 s VAL 201 CO 0.21 -0.74 0.00 0.61 -0.31 0.00 0.00 175.10 174.88 1qk3 n GLY 202 N 0.19 2.40 7.00 2.32 0.00 0.43 -0.76 105.19 116.76 1qk3 n GLY 202 Ca -0.16 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.64 2.43 0.35 0.00 1.51 -0.43 -4.16 117.35 115.41 1qk3 s TYR 205 Ca 0.19 -0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 55.89 1qk3 s TYR 205 Cb 0.13 -1.24 0.01 0.00 -0.11 0.00 0.00 41.96 40.75 1qk3 s TYR 205 CO 0.08 0.44 0.54 0.34 -1.11 0.00 0.00 175.55 175.85 1qk3 s ASP 206 N -2.45 0.67 -0.28 2.29 -1.08 -1.26 -0.43 116.67 114.13 1qk3 s ASP 206 Ca 0.20 -1.38 0.01 0.00 -0.52 0.00 0.00 52.55 50.86 1qk3 s ASP 206 Cb -0.09 0.70 0.16 0.00 -1.46 0.00 0.00 42.92 42.23 1qk3 s ASP 206 CO 0.10 -1.38 0.44 0.12 0.52 0.00 0.00 175.17 174.98 1qk3 s PHE 207 N -2.94 -1.13 -1.59 -5.34 5.36 -1.26 -4.88 117.98 106.19 1qk3 s PHE 207 Ca 0.27 0.66 -0.15 0.00 -0.96 0.00 0.00 56.93 56.75 1qk3 s PHE 207 Cb -0.01 0.01 0.11 0.00 -0.34 0.00 0.00 43.02 42.78 1qk3 s PHE 207 CO 0.18 -0.93 0.88 0.09 -1.46 0.00 0.00 175.22 173.98 1qk3 n ASN 208 N 5.37 -3.93 0.00 6.13 3.02 -1.26 -1.32 115.26 123.27 1qk3 n ASN 208 Ca 0.00 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.67 1qk3 n ASN 208 Cb 0.50 -3.43 0.00 0.00 -0.61 0.00 0.00 39.78 36.24 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 -4.55 -1.87 0.25 3.52 -0.58 -1.26 -4.84 120.64 111.31 1qk3 n GLU 209 Ca 0.03 0.47 0.16 0.00 -0.42 0.00 0.00 57.16 57.40 1qk3 n GLU 209 Cb 0.52 -4.96 0.67 0.00 -0.57 0.00 0.00 31.44 27.11 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 0.00 3.49 2.86 -1.61 -2.92 114.93 116.75 1qk3 h MET 210 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1qk3 h MET 210 Cb 0.93 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 1qk3 h MET 210 CO 0.00 0.00 -0.39 1.19 1.06 0.00 0.00 176.91 178.77 1qk3 n PHE 211 N -2.91 0.00 0.31 -0.22 3.72 -1.26 -4.83 117.46 112.26 1qk3 n PHE 211 Ca 0.01 -1.34 0.17 0.00 -0.05 0.00 0.00 57.45 56.24 1qk3 n PHE 211 Cb 0.28 -0.22 0.99 0.00 -0.94 0.00 0.00 39.48 39.58 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 0.75 0.00 -0.13 -1.08 0.11 -1.86 -1.96 114.38 110.21 1qk3 h ARG 212 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1qk3 h ARG 212 Cb 1.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.11 1qk3 h ARG 212 CO 0.00 0.01 0.00 -0.40 0.10 0.00 0.00 179.97 179.69 1qk3 n ASP 213 N -3.57 3.05 -4.62 0.08 5.75 -1.26 -4.98 116.55 110.99 1qk3 n ASP 213 Ca -0.03 -2.95 -0.39 0.00 -0.01 0.00 0.00 54.79 51.41 1qk3 n ASP 213 Cb 0.10 -0.45 -0.09 0.00 -1.03 0.00 0.00 41.12 39.65 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 -2.68 3.27 -0.25 2.11 5.36 -0.74 -4.79 117.98 120.27 1qk3 s PHE 214 Ca 0.35 0.47 0.14 0.00 -0.96 0.00 0.00 56.93 56.92 1qk3 s PHE 214 Cb 0.29 -2.58 0.80 0.00 -0.34 0.00 0.00 43.02 41.19 1qk3 s PHE 214 CO 0.06 -0.19 1.75 -0.25 -1.46 0.00 0.00 175.22 175.13 1qk3 n ASP 215 N 5.18 5.51 -4.32 6.13 10.43 -1.26 -0.55 116.55 137.67 1qk3 n ASP 215 Ca -0.08 -2.99 -0.17 0.00 2.57 0.00 0.00 54.79 54.12 1qk3 n ASP 215 Cb 0.51 -0.69 -0.10 0.00 1.84 0.00 0.00 41.12 42.68 1qk3 n ASP 215 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 1qk3 s HIS 216 N -2.82 1.55 -0.15 1.24 3.76 -1.26 -3.58 115.29 114.03 1qk3 s HIS 216 Ca 0.54 -0.79 -0.07 0.00 -0.15 0.00 0.00 55.06 54.59 1qk3 s HIS 216 Cb 0.42 -0.84 -0.04 0.00 1.11 0.00 0.00 32.58 33.23 1qk3 s HIS 216 CO 0.15 0.10 0.09 0.08 -0.85 0.00 0.00 174.74 174.31 1qk3 s VAL 217 N -3.27 5.03 0.16 -0.90 1.01 -0.08 -3.11 120.40 119.24 1qk3 s VAL 217 Ca 0.24 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 1qk3 s VAL 217 Cb 0.04 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 1qk3 s VAL 217 CO 0.06 0.53 0.11 0.00 0.00 0.00 0.00 175.10 175.80 1qk3 s ALA 218 N -0.28 0.86 0.21 5.51 0.00 0.06 -0.19 121.76 127.92 1qk3 s ALA 218 Ca 0.09 -1.48 -0.25 0.00 0.00 0.00 0.00 51.96 50.33 1qk3 s ALA 218 Cb -0.12 1.03 -0.08 0.00 0.00 0.00 0.00 23.12 23.95 1qk3 s ALA 218 CO 0.01 -0.54 0.81 0.08 0.00 0.00 0.00 175.76 176.12 1qk3 s VAL 219 N -4.08 4.35 0.06 0.00 1.01 -1.26 -0.64 120.40 119.84 1qk3 s VAL 219 Ca 0.28 1.68 -0.30 0.00 0.00 0.00 0.00 61.98 63.64 1qk3 s VAL 219 Cb 0.07 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1qk3 s VAL 219 CO 0.05 0.40 1.85 -0.22 0.00 0.00 0.00 175.10 177.18 1qk3 s LEU 220 N -1.45 4.40 0.50 3.92 2.96 -0.28 -4.86 118.68 123.87 1qk3 s LEU 220 Ca 0.40 2.63 -0.01 0.00 -0.22 0.00 0.00 54.13 56.93 1qk3 s LEU 220 Cb -0.22 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.93 1qk3 s LEU 220 CO 0.26 -1.00 0.75 -0.94 -1.32 0.00 0.00 176.35 174.09 1qk3 s SER 221 N 3.52 5.70 0.39 3.68 1.04 -1.26 -4.96 113.70 121.80 1qk3 s SER 221 Ca 0.83 0.36 0.13 0.00 0.48 0.00 0.00 55.95 57.75 1qk3 s SER 221 Cb -0.42 -1.50 0.79 0.00 0.10 0.00 0.00 66.02 64.98 1qk3 s SER 221 CO 0.37 -0.85 1.87 0.44 0.98 0.00 0.00 173.24 176.05 1qk3 h ASP 222 N 0.20 0.01 -0.63 7.02 5.19 -1.93 -1.84 116.42 124.44 1qk3 h ASP 222 Ca -0.45 -0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.92 1qk3 h ASP 222 Cb 1.26 -0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.74 1qk3 h ASP 222 CO 0.58 0.33 0.29 0.00 -3.12 0.00 0.00 179.24 177.32 1qk3 h ALA 223 N 1.67 1.27 -0.14 3.45 0.00 -1.92 -0.90 119.26 122.70 1qk3 h ALA 223 Ca -0.00 -0.15 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1qk3 h ALA 223 Cb 0.58 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1qk3 h ALA 223 CO 0.04 0.55 -0.73 0.00 0.00 0.00 0.00 179.25 179.12 1qk3 h ALA 224 N 1.38 0.46 -0.61 0.00 0.00 -1.65 -0.58 119.26 118.26 1qk3 h ALA 224 Ca 0.23 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1qk3 h ALA 224 Cb 0.14 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1qk3 h ALA 224 CO -0.03 0.71 0.30 0.00 0.00 0.00 0.00 179.25 180.24 1qk3 h ARG 225 N 0.44 0.88 0.32 0.00 3.08 -0.99 -2.35 114.38 115.75 1qk3 h ARG 225 Ca -0.03 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 1qk3 h ARG 225 Cb 1.33 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1qk3 h ARG 225 CO 0.14 0.71 -0.15 -0.22 -1.07 0.00 0.00 179.97 179.37 1qk3 h LYS 226 N 0.84 -0.41 -0.81 0.04 3.64 -1.08 -1.05 116.57 117.74 1qk3 h LYS 226 Ca 0.21 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.81 1qk3 h LYS 226 Cb 0.11 0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 31.90 1qk3 h LYS 226 CO -0.03 -0.12 0.21 -0.22 -2.27 0.00 0.00 179.45 177.02 1qk3 h LYS 227 N -0.69 0.25 0.00 1.90 1.63 -1.00 -3.30 116.57 115.36 1qk3 h LYS 227 Ca -0.04 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1qk3 h LYS 227 Cb 0.48 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1qk3 h LYS 227 CO 0.07 0.16 0.00 0.34 -3.45 0.00 0.00 179.45 176.58 1qk3 n PHE 228 N -5.18 0.00 0.00 1.91 7.35 -0.90 -5.11 117.46 115.53 1qk3 n PHE 228 Ca 0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 1qk3 n PHE 228 Cb 0.56 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 1qk3 n PHE 228 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39