#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tqj s ASN 4 N 0.00 6.29 0.11 4.39 0.01 -1.26 -5.03 114.94 119.45 1tqj s ASN 4 Ca 0.00 0.75 -0.31 0.00 -0.71 0.00 0.00 52.86 52.58 1tqj s ASN 4 Cb 0.00 -2.16 -0.09 0.00 0.41 0.00 0.00 41.25 39.41 1tqj s ASN 4 CO 0.00 -0.45 1.61 -0.63 -1.51 0.00 0.00 177.10 176.12 1tqj s ILE 5 N -2.54 2.87 -0.09 0.60 -1.09 -1.26 -4.91 121.20 114.77 1tqj s ILE 5 Ca 0.45 0.49 -0.06 0.00 -2.23 0.00 0.00 60.65 59.30 1tqj s ILE 5 Cb -0.10 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.43 1tqj s ILE 5 CO 0.40 0.02 0.13 -0.69 -1.23 0.00 0.00 174.94 173.58 1tqj s VAL 6 N 1.94 5.37 -0.14 2.92 1.01 0.19 -5.01 120.40 126.68 1tqj s VAL 6 Ca 0.72 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.80 1tqj s VAL 6 Cb -0.41 -3.37 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1tqj s VAL 6 CO 0.32 0.56 -0.18 -0.69 0.00 0.00 0.00 175.10 175.11 1tqj s VAL 7 N -1.07 2.51 -0.57 2.92 1.01 -1.26 -0.45 120.40 123.47 1tqj s VAL 7 Ca 0.17 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.36 1tqj s VAL 7 Cb -0.12 -2.03 0.15 0.00 0.00 0.00 0.00 36.38 34.37 1tqj s VAL 7 CO 0.07 0.53 0.35 0.00 0.00 0.00 0.00 175.10 176.05 1tqj s ALA 8 N 0.69 3.23 0.35 5.51 0.00 0.50 -1.10 121.76 130.93 1tqj s ALA 8 Ca -0.08 -3.35 -0.28 0.00 0.00 0.00 0.00 51.96 48.24 1tqj s ALA 8 Cb -0.16 -2.09 -0.12 0.00 0.00 0.00 0.00 23.12 20.76 1tqj s ALA 8 CO 0.02 -2.05 1.46 -2.30 0.00 0.00 0.00 175.76 172.88 1tqj n PRO 9 N 2.71 2.53 -2.91 0.00 -0.02 -1.23 -3.45 135.00 132.63 1tqj n PRO 9 Ca 0.13 0.89 -0.43 0.00 -2.02 0.00 0.00 63.50 62.07 1tqj n PRO 9 Cb 0.34 -2.59 -0.05 0.00 -0.02 0.00 0.00 33.50 31.19 1tqj n PRO 9 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1tqj s SER 10 N -0.05 6.37 0.46 2.55 0.15 -0.07 -1.23 113.70 121.88 1tqj s SER 10 Ca 0.56 -0.28 0.31 0.00 0.70 0.00 0.00 55.95 57.24 1tqj s SER 10 Cb -0.51 -2.41 1.67 0.00 -1.71 0.00 0.00 66.02 63.06 1tqj s SER 10 CO 0.60 -1.08 1.96 -0.29 1.20 0.00 0.00 173.24 175.63 1tqj h ILE 11 N 6.00 0.00 -0.26 6.45 6.09 -1.61 -2.04 117.51 132.14 1tqj h ILE 11 Ca -0.26 -0.04 0.07 0.00 -1.37 0.00 0.00 64.86 63.27 1tqj h ILE 11 Cb 1.08 0.77 -0.01 0.00 0.47 0.00 0.00 36.82 39.13 1tqj h ILE 11 CO 1.03 0.00 0.23 -0.07 -3.07 0.00 0.00 178.15 176.28 1tqj h LEU 12 N 0.00 0.00 -0.29 2.19 3.38 -1.92 -0.72 115.31 117.95 1tqj h LEU 12 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tqj h LEU 12 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1tqj h LEU 12 CO 0.00 0.00 -0.14 -1.20 0.09 0.00 0.00 178.44 177.19 1tqj n SER 13 N -4.03 0.59 -4.81 -0.43 7.64 -0.77 -4.96 113.62 106.85 1tqj n SER 13 Ca 0.03 -0.63 -0.26 0.00 1.01 0.00 0.00 58.87 59.03 1tqj n SER 13 Cb 0.38 -0.03 0.08 0.00 -1.01 0.00 0.00 64.21 63.63 1tqj n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tqj s ALA 14 N -2.49 3.19 -0.63 -0.43 0.00 -0.28 -4.79 121.76 116.33 1tqj s ALA 14 Ca 0.27 -1.10 -0.28 0.00 0.00 0.00 0.00 51.96 50.86 1tqj s ALA 14 Cb 0.20 -2.50 0.02 0.00 0.00 0.00 0.00 23.12 20.84 1tqj s ALA 14 CO 0.49 -1.40 1.36 0.34 0.00 0.00 0.00 175.76 176.55 1tqj s ASP 15 N -4.58 6.13 0.01 0.00 3.68 -1.26 -4.90 116.67 115.75 1tqj s ASP 15 Ca 0.62 0.01 0.17 0.00 2.13 0.00 0.00 52.55 55.47 1tqj s ASP 15 Cb -0.09 -2.55 0.70 0.00 -1.45 0.00 0.00 42.92 39.53 1tqj s ASP 15 CO 0.45 -1.77 1.53 0.49 0.13 0.00 0.00 175.17 176.00 1tqj n PHE 16 N 9.56 0.04 0.33 -5.34 3.01 -1.26 -1.79 117.46 122.01 1tqj n PHE 16 Ca 0.09 0.02 0.15 0.00 1.01 0.00 0.00 57.45 58.71 1tqj n PHE 16 Cb 0.49 -0.53 0.50 0.00 -0.01 0.00 0.00 39.48 39.93 1tqj n PHE 16 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1tqj h SER 17 N 0.00 0.00 -1.31 4.37 4.64 -2.04 -3.35 113.55 115.86 1tqj h SER 17 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 1tqj h SER 17 Cb 0.29 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.98 1tqj h SER 17 CO 0.00 0.00 -1.19 0.54 -0.87 0.00 0.00 176.83 175.31 1tqj n ARG 18 N -2.84 1.11 -0.34 4.77 1.74 -0.74 -4.97 116.66 115.40 1tqj n ARG 18 Ca 0.02 -3.30 0.00 0.00 -0.77 0.00 0.00 57.85 53.80 1tqj n ARG 18 Cb 0.36 -1.39 0.17 0.00 -1.02 0.00 0.00 32.46 30.57 1tqj n ARG 18 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1tqj h LEU 19 N 3.00 1.05 -0.39 0.55 5.85 -1.68 -1.72 115.31 121.96 1tqj h LEU 19 Ca -0.04 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1tqj h LEU 19 Cb 1.11 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1tqj h LEU 19 CO 0.50 0.72 0.24 1.23 -0.34 0.00 0.00 178.44 180.80 1tqj h GLY 20 N 1.22 0.54 1.08 3.75 0.00 -1.93 0.66 103.07 108.39 1tqj h GLY 20 Ca 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1tqj h GLY 20 CO -0.11 0.17 0.38 0.83 0.00 0.00 0.00 176.54 177.81 1tqj h GLU 21 N 0.49 1.19 -0.46 4.80 5.08 -1.79 -2.08 114.58 121.81 1tqj h GLU 21 Ca 0.15 -0.18 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1tqj h GLU 21 Cb -0.02 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1tqj h GLU 21 CO -0.05 0.92 -0.15 0.93 -1.00 0.00 0.00 179.01 179.66 1tqj h GLU 22 N 1.17 0.91 -0.13 2.33 4.39 -0.82 -0.78 114.58 121.65 1tqj h GLU 22 Ca 0.28 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1tqj h GLU 22 Cb 0.14 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1tqj h GLU 22 CO -0.03 1.02 0.05 0.82 -1.16 0.00 0.00 179.01 179.71 1tqj h ILE 23 N 0.75 1.15 -0.54 3.13 1.08 -0.77 -0.54 117.51 121.77 1tqj h ILE 23 Ca 0.11 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 64.13 1tqj h ILE 23 Cb 0.71 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.64 1tqj h ILE 23 CO 0.05 0.14 0.31 0.11 -0.69 0.00 0.00 178.15 178.07 1tqj h LYS 24 N 0.06 0.74 -0.13 2.37 1.79 -1.32 -1.83 116.57 118.24 1tqj h LYS 24 Ca 0.04 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1tqj h LYS 24 Cb 0.17 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1tqj h LYS 24 CO -0.00 0.55 0.07 0.00 -1.08 0.00 0.00 179.45 178.99 1tqj h ALA 25 N 1.15 0.16 -0.11 3.86 0.00 -1.01 -1.32 119.26 121.99 1tqj h ALA 25 Ca 0.19 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1tqj h ALA 25 Cb 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1tqj h ALA 25 CO -0.03 -0.31 -0.55 -0.39 0.00 0.00 0.00 179.25 177.97 1tqj h VAL 26 N 0.12 1.35 0.32 0.00 -1.51 -0.96 -1.41 116.25 114.15 1tqj h VAL 26 Ca 0.04 -1.84 -0.02 0.00 -1.23 0.00 0.00 66.70 63.66 1tqj h VAL 26 Cb 0.06 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1tqj h VAL 26 CO -0.01 0.55 -0.15 -0.78 -1.23 0.00 0.00 177.57 175.95 1tqj h ASP 27 N 0.25 -0.36 0.27 4.19 1.82 -1.24 -2.30 116.42 119.05 1tqj h ASP 27 Ca 0.00 -0.02 -0.04 0.00 -0.39 0.00 0.00 57.03 56.58 1tqj h ASP 27 Cb 1.04 0.09 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 1tqj h ASP 27 CO 0.09 -0.22 -0.17 -0.33 -1.61 0.00 0.00 179.24 177.00 1tqj h GLU 28 N -0.48 0.00 0.00 0.28 5.08 -1.18 -1.84 114.58 116.44 1tqj h GLU 28 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1tqj h GLU 28 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1tqj h GLU 28 CO 0.07 0.17 0.00 0.00 -1.00 0.00 0.00 179.01 178.26 1tqj n ALA 29 N -2.41 2.08 0.00 3.43 0.00 -0.54 -4.89 120.51 118.19 1tqj n ALA 29 Ca -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1tqj n ALA 29 Cb 0.26 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1tqj n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tqj n GLY 30 N 0.53 1.18 3.75 0.00 0.00 -0.69 -4.27 105.19 105.69 1tqj n GLY 30 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1tqj n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tqj s ALA 31 N -2.00 3.78 -0.08 4.61 0.00 -0.89 -4.89 121.76 122.29 1tqj s ALA 31 Ca 0.00 1.59 -0.21 0.00 0.00 0.00 0.00 51.96 53.34 1tqj s ALA 31 Cb 0.00 -3.66 -0.29 0.00 0.00 0.00 0.00 23.12 19.17 1tqj s ALA 31 CO 0.00 -0.99 0.75 -0.44 0.00 0.00 0.00 175.76 175.08 1tqj h ASP 32 N 5.13 0.37 -2.95 0.00 3.32 -1.47 -3.45 116.42 117.38 1tqj h ASP 32 Ca -0.46 -0.91 -0.49 0.00 0.02 0.00 0.00 57.03 55.19 1tqj h ASP 32 Cb 1.22 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.50 1tqj h ASP 32 CO 0.82 1.42 -0.72 0.26 -1.72 0.00 0.00 179.24 179.30 1tqj s TRP 33 N -2.42 1.87 -0.23 4.55 0.51 -1.16 -3.68 118.94 118.39 1tqj s TRP 33 Ca -0.17 -0.56 -0.06 0.00 -2.12 0.00 0.00 56.10 53.20 1tqj s TRP 33 Cb 0.02 -0.91 -0.02 0.00 -0.81 0.00 0.00 33.47 31.75 1tqj s TRP 33 CO 0.79 0.40 0.02 0.42 -0.51 0.00 0.00 176.95 178.07 1tqj s ILE 34 N -2.90 3.92 -0.16 2.03 -1.09 0.48 -3.50 121.20 119.98 1tqj s ILE 34 Ca 0.25 -0.31 -0.13 0.00 -2.23 0.00 0.00 60.65 58.24 1tqj s ILE 34 Cb -0.00 -2.81 -0.05 0.00 -1.58 0.00 0.00 42.46 38.02 1tqj s ILE 34 CO 0.09 0.38 0.27 -2.28 -1.23 0.00 0.00 174.94 172.18 1tqj s HIS 35 N 1.46 3.46 -0.16 3.97 5.65 -0.36 -0.75 115.29 128.55 1tqj s HIS 35 Ca 0.05 0.56 0.00 0.00 0.25 0.00 0.00 55.06 55.93 1tqj s HIS 35 Cb -0.15 -2.31 0.03 0.00 -1.18 0.00 0.00 32.58 28.98 1tqj s HIS 35 CO 0.01 0.26 -0.11 0.08 -0.65 0.00 0.00 174.74 174.33 1tqj s VAL 36 N 0.40 1.47 -0.30 0.89 1.01 0.06 -1.52 120.40 122.41 1tqj s VAL 36 Ca 0.15 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1tqj s VAL 36 Cb -0.13 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1tqj s VAL 36 CO 0.03 0.30 0.20 -1.81 0.00 0.00 0.00 175.10 173.82 1tqj s ASP 37 N 1.50 5.96 -0.27 3.32 1.01 -1.26 -0.66 116.67 126.27 1tqj s ASP 37 Ca 0.02 -0.20 -0.10 0.00 0.71 0.00 0.00 52.55 52.98 1tqj s ASP 37 Cb -0.14 -2.11 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 1tqj s ASP 37 CO -0.09 -0.13 0.15 -0.69 0.21 0.00 0.00 175.17 174.62 1tqj s VAL 38 N 1.73 4.99 -0.03 -1.27 1.01 0.01 -4.41 120.40 122.43 1tqj s VAL 38 Ca 0.06 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.15 1tqj s VAL 38 Cb -0.17 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1tqj s VAL 38 CO 0.10 0.29 -0.16 -0.04 0.00 0.00 0.00 175.10 175.28 1tqj s MET 39 N 1.64 1.60 0.00 2.72 -1.94 -1.26 -0.02 119.30 122.04 1tqj s MET 39 Ca 0.07 -0.58 0.12 0.00 -1.71 0.00 0.00 55.69 53.58 1tqj s MET 39 Cb -0.15 -1.44 0.24 0.00 2.01 0.00 0.00 34.83 35.49 1tqj s MET 39 CO 0.08 0.27 1.13 -0.40 -0.01 0.00 0.00 175.02 176.08 1tqj n ASP 40 N 3.03 2.63 0.00 3.03 5.75 -1.22 -1.75 116.55 128.01 1tqj n ASP 40 Ca -0.17 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1tqj n ASP 40 Cb 0.53 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1tqj n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tqj n GLY 41 N 0.64 0.53 0.67 6.12 0.00 0.11 -4.79 105.19 108.46 1tqj n GLY 41 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 1tqj n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tqj n ARG 42 N -1.93 0.21 0.05 1.61 5.12 -1.26 -4.57 116.66 115.89 1tqj n ARG 42 Ca 0.00 0.08 0.02 0.00 -1.93 0.00 0.00 57.85 56.02 1tqj n ARG 42 Cb 0.07 -0.87 0.36 0.00 -1.16 0.00 0.00 32.46 30.87 1tqj n ARG 42 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1tqj h PHE 43 N -0.40 0.42 -4.03 -1.55 3.57 -1.88 -3.43 116.94 109.65 1tqj h PHE 43 Ca -0.02 -0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.28 1tqj h PHE 43 Cb 0.44 -0.13 -0.20 0.00 2.79 0.00 0.00 35.95 38.86 1tqj h PHE 43 CO -0.16 0.43 -0.70 0.14 -2.23 0.00 0.00 178.31 175.78 1tqj s VAL 44 N -4.97 0.21 -0.22 1.41 -7.23 -1.26 -5.00 120.40 103.33 1tqj s VAL 44 Ca -0.07 -1.16 -0.04 0.00 -1.81 0.00 0.00 61.98 58.90 1tqj s VAL 44 Cb 0.16 -0.62 -0.08 0.00 0.56 0.00 0.00 36.38 36.40 1tqj s VAL 44 CO 0.75 -0.60 3.08 -0.81 -0.31 0.00 0.00 175.10 177.20 1tqj n PRO 45 N 1.21 2.12 -3.64 4.82 -0.04 -1.26 -2.93 135.00 135.27 1tqj n PRO 45 Ca -0.21 -1.58 -0.15 0.00 -0.04 0.00 0.00 63.50 61.51 1tqj n PRO 45 Cb 0.56 -1.99 -0.07 0.00 -0.04 0.00 0.00 33.50 31.96 1tqj n PRO 45 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1tqj s ASN 46 N 1.17 -0.47 -0.16 3.54 2.47 -1.26 -4.95 114.94 115.28 1tqj s ASN 46 Ca 0.58 0.55 -0.02 0.00 0.42 0.00 0.00 52.86 54.39 1tqj s ASN 46 Cb 0.33 0.56 -0.02 0.00 -1.45 0.00 0.00 41.25 40.67 1tqj s ASN 46 CO -0.10 -0.47 -0.08 -0.63 -3.72 0.00 0.00 177.10 172.10 1tqj s ILE 47 N -0.96 3.43 0.00 -5.21 1.01 -1.26 -0.71 121.20 117.50 1tqj s ILE 47 Ca -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1tqj s ILE 47 Cb -0.03 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.95 1tqj s ILE 47 CO 0.06 0.49 0.00 0.35 0.00 0.00 0.00 174.94 175.85 1tqj n THR 48 N 3.74 0.00 -3.82 2.92 -2.24 -0.72 -4.96 114.28 109.20 1tqj n THR 48 Ca -0.18 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.48 1tqj n THR 48 Cb 0.52 -0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.49 1tqj n THR 48 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1tqj s ILE 49 N 0.19 0.04 0.00 2.28 -4.36 -1.26 -4.96 121.20 113.13 1tqj s ILE 49 Ca 0.00 -0.29 0.00 0.00 -0.26 0.00 0.00 60.65 60.10 1tqj s ILE 49 Cb 0.00 -0.37 0.00 0.00 1.25 0.00 0.00 42.46 43.34 1tqj s ILE 49 CO 0.00 -0.16 0.00 0.61 0.24 0.00 0.00 174.94 175.63 1tqj n GLY 50 N 2.26 3.18 0.40 6.27 0.00 -1.26 -4.42 105.19 111.63 1tqj n GLY 50 Ca -0.17 -2.09 0.21 0.00 0.00 0.00 0.00 46.02 43.97 1tqj n GLY 50 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tqj h PRO 51 N 0.00 0.13 -0.00 1.61 0.11 -1.98 -1.99 132.00 129.87 1tqj h PRO 51 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1tqj h PRO 51 Cb 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1tqj h PRO 51 CO 0.00 0.08 -0.02 1.37 -0.21 0.00 0.00 178.00 179.22 1tqj h LEU 52 N 0.13 0.00 -0.26 2.35 8.10 -1.98 -0.27 115.31 123.39 1tqj h LEU 52 Ca 0.34 -0.00 -0.20 0.00 0.11 0.00 0.00 57.88 58.13 1tqj h LEU 52 Cb 1.15 -0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.36 1tqj h LEU 52 CO -0.05 0.02 -0.89 0.40 -4.11 0.00 0.00 178.44 173.81 1tqj h ILE 53 N 0.00 1.52 -0.50 0.15 1.08 -1.74 -1.79 117.51 116.23 1tqj h ILE 53 Ca -0.00 -2.71 -0.07 0.00 -0.39 0.00 0.00 64.86 61.69 1tqj h ILE 53 Cb 0.04 2.52 -0.02 0.00 -3.07 0.00 0.00 36.82 36.28 1tqj h ILE 53 CO 0.00 0.79 0.03 0.58 -0.69 0.00 0.00 178.15 178.86 1tqj h VAL 54 N 0.08 1.26 -0.70 1.67 2.07 -1.34 -1.35 116.25 117.94 1tqj h VAL 54 Ca -0.04 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1tqj h VAL 54 Cb 1.53 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 1tqj h VAL 54 CO 0.13 0.36 0.37 -0.78 0.02 0.00 0.00 177.57 177.68 1tqj h ASP 55 N 0.74 0.86 0.04 0.57 3.58 -1.02 -0.79 116.42 120.40 1tqj h ASP 55 Ca 0.15 -0.07 -0.14 0.00 0.42 0.00 0.00 57.03 57.38 1tqj h ASP 55 Cb 0.48 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1tqj h ASP 55 CO 0.02 0.70 -0.49 0.00 -2.88 0.00 0.00 179.24 176.60 1tqj h ALA 56 N 1.44 0.80 0.00 -0.78 0.00 -0.85 -3.22 119.26 116.65 1tqj h ALA 56 Ca 0.25 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1tqj h ALA 56 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1tqj h ALA 56 CO -0.04 0.67 -0.90 -0.84 0.00 0.00 0.00 179.25 178.14 1tqj h ILE 57 N 0.40 0.11 -0.45 0.00 3.07 -0.87 -3.40 117.51 116.37 1tqj h ILE 57 Ca 0.02 -1.20 0.04 0.00 1.55 0.00 0.00 64.86 65.27 1tqj h ILE 57 Cb 1.00 1.69 -0.04 0.00 -0.27 0.00 0.00 36.82 39.20 1tqj h ILE 57 CO 0.09 0.06 0.20 -0.09 -1.05 0.00 0.00 178.15 177.37 1tqj h ARG 58 N 0.00 0.39 0.00 0.16 9.65 -1.16 -0.90 114.38 122.53 1tqj h ARG 58 Ca -0.03 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1tqj h ARG 58 Cb 1.11 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.60 1tqj h ARG 58 CO 0.01 0.26 0.00 -2.30 2.80 0.00 0.00 179.97 180.74 1tqj n PRO 59 N -4.94 0.24 0.01 0.20 -0.02 -1.26 -3.50 135.00 125.72 1tqj n PRO 59 Ca 0.03 0.12 0.11 0.00 -2.02 0.00 0.00 63.50 61.74 1tqj n PRO 59 Cb 0.14 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.09 1tqj n PRO 59 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1tqj n LEU 60 N -1.29 0.68 -3.77 2.45 4.77 -0.34 -4.94 117.00 114.57 1tqj n LEU 60 Ca 0.08 -0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 55.72 1tqj n LEU 60 Cb 0.14 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 1tqj n LEU 60 CO 0.13 0.13 0.00 0.28 -1.33 0.00 0.00 177.39 176.61 1tqj s THR 61 N -3.13 0.07 -2.74 -5.08 -1.32 -1.23 -4.72 115.64 97.49 1tqj s THR 61 Ca 0.05 -0.56 0.24 0.00 -1.21 0.00 0.00 61.69 60.21 1tqj s THR 61 Cb 0.15 -0.70 0.32 0.00 -1.51 0.00 0.00 72.50 70.76 1tqj s THR 61 CO 0.83 -0.31 1.38 0.29 -2.21 0.00 0.00 174.62 174.60 1tqj n LYS 62 N 1.08 2.27 -1.57 7.08 5.02 -1.26 -4.87 118.16 125.90 1tqj n LYS 62 Ca -0.21 -1.87 -0.31 0.00 -2.02 0.00 0.00 58.31 53.91 1tqj n LYS 62 Cb 0.57 -1.47 0.06 0.00 -0.02 0.00 0.00 35.03 34.16 1tqj n LYS 62 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1tqj s LYS 63 N -1.84 2.78 0.24 1.97 -0.14 -1.26 -4.99 119.74 116.49 1tqj s LYS 63 Ca 0.33 0.89 -0.31 0.00 -1.36 0.00 0.00 55.97 55.52 1tqj s LYS 63 Cb 0.21 -1.98 -0.11 0.00 -1.68 0.00 0.00 37.83 34.27 1tqj s LYS 63 CO 0.31 -1.20 1.57 0.99 -0.76 0.00 0.00 175.35 176.26 1tqj s THR 64 N -3.07 2.36 -0.35 2.17 2.01 -1.24 -4.82 115.64 112.70 1tqj s THR 64 Ca 0.59 0.29 -0.13 0.00 0.31 0.00 0.00 61.69 62.74 1tqj s THR 64 Cb -0.14 -3.18 -0.01 0.00 0.01 0.00 0.00 72.50 69.18 1tqj s THR 64 CO 0.55 0.04 0.24 -0.76 -0.69 0.00 0.00 174.62 173.99 1tqj s LEU 65 N 0.21 4.56 -0.43 4.42 1.43 -1.26 -0.39 118.68 127.22 1tqj s LEU 65 Ca 0.66 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 53.13 1tqj s LEU 65 Cb -0.45 -2.12 0.08 0.00 0.03 0.00 0.00 46.19 43.73 1tqj s LEU 65 CO 0.40 -0.27 0.28 -0.62 0.23 0.00 0.00 176.35 176.37 1tqj s ASP 66 N 1.69 5.70 -0.27 2.29 2.15 0.07 -1.05 116.67 127.25 1tqj s ASP 66 Ca 0.06 -1.49 -0.06 0.00 0.43 0.00 0.00 52.55 51.49 1tqj s ASP 66 Cb -0.18 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1tqj s ASP 66 CO 0.10 -0.55 0.04 -0.69 -0.17 0.00 0.00 175.17 173.90 1tqj s VAL 67 N 1.45 3.82 -0.33 1.11 1.01 -0.06 -0.76 120.40 126.64 1tqj s VAL 67 Ca 0.03 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 1tqj s VAL 67 Cb -0.23 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1tqj s VAL 67 CO 0.03 0.20 0.23 -2.28 0.00 0.00 0.00 175.10 173.27 1tqj s HIS 68 N 1.50 3.23 -0.65 5.22 2.46 0.16 -1.05 115.29 126.16 1tqj s HIS 68 Ca 0.04 -0.20 -0.19 0.00 0.47 0.00 0.00 55.06 55.18 1tqj s HIS 68 Cb -0.16 -2.46 0.12 0.00 -0.13 0.00 0.00 32.58 29.94 1tqj s HIS 68 CO 0.01 -0.35 0.76 -0.51 -2.47 0.00 0.00 174.74 172.18 1tqj s LEU 69 N 1.72 5.46 -1.07 8.88 1.43 -0.00 -0.81 118.68 134.29 1tqj s LEU 69 Ca 0.06 -1.60 -0.03 0.00 -1.03 0.00 0.00 54.13 51.54 1tqj s LEU 69 Cb -0.17 -2.31 0.30 0.00 0.03 0.00 0.00 46.19 44.04 1tqj s LEU 69 CO 0.10 -1.07 1.73 0.80 0.23 0.00 0.00 176.35 178.14 1tqj n MET 70 N 6.17 5.00 -4.00 1.70 1.56 0.97 -4.10 117.12 124.43 1tqj n MET 70 Ca -0.04 -4.54 -0.09 0.00 -0.27 0.00 0.00 57.70 52.76 1tqj n MET 70 Cb 0.44 -2.51 -0.11 0.00 2.15 0.00 0.00 33.22 33.19 1tqj n MET 70 CO 0.00 0.00 0.00 0.96 -0.73 0.00 0.00 175.97 176.20 1tqj s ILE 71 N -3.49 0.14 0.61 1.12 -4.36 -1.26 -3.60 121.20 110.37 1tqj s ILE 71 Ca 0.37 -1.17 -0.15 0.00 -0.26 0.00 0.00 60.65 59.44 1tqj s ILE 71 Cb 0.13 -0.67 -0.03 0.00 1.25 0.00 0.00 42.46 43.15 1tqj s ILE 71 CO -0.03 -0.64 1.06 0.68 0.24 0.00 0.00 174.94 176.25 1tqj s VAL 72 N -2.24 3.77 -1.38 8.37 -7.23 -1.26 -4.12 120.40 116.31 1tqj s VAL 72 Ca -0.09 0.81 -0.00 0.00 -1.81 0.00 0.00 61.98 60.89 1tqj s VAL 72 Cb -0.04 -3.35 0.00 0.00 0.56 0.00 0.00 36.38 33.55 1tqj s VAL 72 CO -0.04 -0.52 0.51 1.21 -0.31 0.00 0.00 175.10 175.95 1tqj n GLU 73 N -2.18 -3.81 0.23 4.82 2.13 -1.23 -4.83 120.64 115.77 1tqj n GLU 73 Ca 0.09 0.47 0.16 0.00 0.66 0.00 0.00 57.16 58.54 1tqj n GLU 73 Cb 0.53 -4.74 0.84 0.00 0.27 0.00 0.00 31.44 28.34 1tqj n GLU 73 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1tqj h PRO 74 N -1.84 0.00 -0.10 5.31 0.13 -1.78 -2.03 132.00 131.69 1tqj h PRO 74 Ca -0.62 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.53 1tqj h PRO 74 Cb 1.37 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 1tqj h PRO 74 CO 0.61 0.00 0.12 1.05 -0.23 0.00 0.00 178.00 179.55 1tqj h GLU 75 N 0.00 0.00 0.00 0.86 9.09 -1.92 -0.21 114.58 122.40 1tqj h GLU 75 Ca 0.06 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.44 1tqj h GLU 75 Cb 0.33 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.42 1tqj h GLU 75 CO -0.00 0.00 -0.16 -0.22 0.05 0.00 0.00 179.01 178.68 1tqj h LYS 76 N 0.00 0.00 -0.00 1.06 3.64 -1.72 -3.29 116.57 116.26 1tqj h LYS 76 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1tqj h LYS 76 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1tqj h LYS 76 CO -0.00 0.16 -0.08 0.66 -2.27 0.00 0.00 179.45 177.92 1tqj n TYR 77 N -4.31 0.00 -0.23 1.91 4.02 -0.13 -4.76 117.16 113.67 1tqj n TYR 77 Ca -0.02 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.83 1tqj n TYR 77 Cb 0.23 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.62 1tqj n TYR 77 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1tqj h VAL 78 N 0.46 1.05 -0.63 -0.72 2.07 -1.52 -1.55 116.25 115.41 1tqj h VAL 78 Ca 0.00 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1tqj h VAL 78 Cb 0.14 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 1tqj h VAL 78 CO 0.00 0.14 0.10 -0.08 0.02 0.00 0.00 177.57 177.75 1tqj h GLU 79 N 0.76 1.02 -0.60 1.57 4.81 -1.86 -0.49 114.58 119.80 1tqj h GLU 79 Ca 0.27 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 1tqj h GLU 79 Cb 0.07 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 1tqj h GLU 79 CO -0.13 0.94 0.23 -0.44 -0.73 0.00 0.00 179.01 178.89 1tqj h ASP 80 N 0.96 0.84 -0.38 1.04 3.32 -1.72 -0.71 116.42 119.77 1tqj h ASP 80 Ca 0.19 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 1tqj h ASP 80 Cb 0.42 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1tqj h ASP 80 CO 0.01 0.79 -0.30 -0.26 -1.72 0.00 0.00 179.24 177.76 1tqj h PHE 81 N 0.84 1.06 -0.31 4.55 0.04 -1.07 -1.39 116.94 120.66 1tqj h PHE 81 Ca 0.20 -0.28 0.02 0.00 2.80 0.00 0.00 57.97 60.71 1tqj h PHE 81 Cb 0.21 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.10 1tqj h PHE 81 CO 0.01 1.09 0.15 0.00 -0.60 0.00 0.00 178.31 178.96 1tqj h ALA 82 N 0.88 0.38 -0.01 2.45 0.00 -0.91 -1.45 119.26 120.60 1tqj h ALA 82 Ca 0.08 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1tqj h ALA 82 Cb 0.87 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1tqj h ALA 82 CO 0.08 -0.24 -0.31 1.57 0.00 0.00 0.00 179.25 180.35 1tqj h LYS 83 N 0.31 0.01 0.00 0.00 5.09 -0.93 -2.42 116.57 118.63 1tqj h LYS 83 Ca 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.87 1tqj h LYS 83 Cb 0.06 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.39 1tqj h LYS 83 CO -0.10 0.32 0.00 0.00 -2.09 0.00 0.00 179.45 177.58 1tqj h ALA 84 N 1.68 1.00 0.00 0.07 0.00 -0.91 -3.46 119.26 117.63 1tqj h ALA 84 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tqj h ALA 84 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1tqj h ALA 84 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1tqj n GLY 85 N 0.56 1.86 3.77 0.00 0.00 -0.91 -3.91 105.19 106.55 1tqj n GLY 85 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1tqj n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tqj s ALA 86 N -2.00 3.46 -0.21 4.61 0.00 -0.58 -4.69 121.76 122.35 1tqj s ALA 86 Ca 0.00 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.18 1tqj s ALA 86 Cb 0.00 -3.43 -0.17 0.00 0.00 0.00 0.00 23.12 19.51 1tqj s ALA 86 CO 0.00 -0.51 -0.10 -0.25 0.00 0.00 0.00 175.76 174.89 1tqj n ASP 87 N 0.86 1.66 -4.32 0.00 8.00 -0.21 -4.68 116.55 117.85 1tqj n ASP 87 Ca -0.00 -0.08 -0.32 0.00 0.71 0.00 0.00 54.79 55.10 1tqj n ASP 87 Cb 0.43 0.12 -0.16 0.00 -0.02 0.00 0.00 41.12 41.49 1tqj n ASP 87 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1tqj s ILE 88 N -2.44 2.41 -0.14 0.53 1.01 -0.89 -1.60 121.20 120.07 1tqj s ILE 88 Ca -0.22 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.50 1tqj s ILE 88 Cb 0.07 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.64 1tqj s ILE 88 CO 0.60 0.56 -0.11 -0.63 0.00 0.00 0.00 174.94 175.36 1tqj s ILE 89 N -0.11 1.34 -0.08 2.92 1.01 -0.10 -0.88 121.20 125.29 1tqj s ILE 89 Ca -0.04 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.11 1tqj s ILE 89 Cb -0.14 -1.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1tqj s ILE 89 CO 0.04 0.39 -0.12 -0.94 0.00 0.00 0.00 174.94 174.31 1tqj s SER 90 N 1.58 4.16 0.13 3.58 1.04 -0.21 -1.02 113.70 122.95 1tqj s SER 90 Ca 0.04 -0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.33 1tqj s SER 90 Cb -0.13 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.78 1tqj s SER 90 CO -0.09 0.29 -0.14 0.68 0.98 0.00 0.00 173.24 174.95 1tqj s VAL 91 N -0.37 1.36 0.35 5.02 -7.23 -0.10 -0.82 120.40 118.61 1tqj s VAL 91 Ca 0.04 -1.74 -0.25 0.00 -1.81 0.00 0.00 61.98 58.23 1tqj s VAL 91 Cb -0.12 -1.56 -0.10 0.00 0.56 0.00 0.00 36.38 35.16 1tqj s VAL 91 CO 0.02 -0.42 0.95 -1.00 -0.31 0.00 0.00 175.10 174.35 1tqj s HIS 92 N -2.16 3.57 -0.52 2.82 3.76 -1.26 -0.64 115.29 120.87 1tqj s HIS 92 Ca 0.09 1.73 0.24 0.00 -0.15 0.00 0.00 55.06 56.97 1tqj s HIS 92 Cb -0.05 -2.92 0.23 0.00 1.11 0.00 0.00 32.58 30.96 1tqj s HIS 92 CO 0.03 0.08 1.24 -0.39 -0.85 0.00 0.00 174.74 174.85 1tqj h VAL 93 N 2.41 0.00 -4.07 -0.90 -1.51 -1.73 -3.31 116.25 107.15 1tqj h VAL 93 Ca -0.47 -0.65 -0.53 0.00 -1.23 0.00 0.00 66.70 63.82 1tqj h VAL 93 Cb 1.19 1.20 0.10 0.00 -2.13 0.00 0.00 31.29 31.66 1tqj h VAL 93 CO 0.64 0.00 0.49 -1.61 -1.23 0.00 0.00 177.57 175.86 1tqj s GLU 94 N -3.22 3.18 0.28 5.19 8.01 -1.26 -4.56 118.70 126.31 1tqj s GLU 94 Ca 0.04 1.86 0.25 0.00 0.01 0.00 0.00 54.97 57.14 1tqj s GLU 94 Cb 0.12 -2.07 0.92 0.00 -4.31 0.00 0.00 34.13 28.79 1tqj s GLU 94 CO 0.74 -1.05 1.76 0.45 0.01 0.00 0.00 175.26 177.17 1tqj h HIS 95 N 1.22 0.00 0.00 1.61 3.86 -1.92 -0.19 115.15 119.73 1tqj h HIS 95 Ca -0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.71 1tqj h HIS 95 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 1tqj h HIS 95 CO 0.48 0.00 0.00 0.27 0.86 0.00 0.00 177.93 179.54 1tqj n ASN 96 N -2.38 0.00 0.00 2.45 0.23 -1.26 -4.10 115.26 110.21 1tqj n ASN 96 Ca 0.03 0.25 -0.01 0.00 -0.53 0.00 0.00 54.58 54.32 1tqj n ASN 96 Cb 0.33 -0.39 -0.00 0.00 -2.08 0.00 0.00 39.78 37.63 1tqj n ASN 96 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1tqj n ALA 97 N -1.39 2.15 -3.63 -2.53 0.00 -0.51 -4.53 120.51 110.05 1tqj n ALA 97 Ca 0.07 -0.17 -0.28 0.00 0.00 0.00 0.00 53.44 53.06 1tqj n ALA 97 Cb 0.20 0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.62 1tqj n ALA 97 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1tqj s SER 98 N -5.29 3.12 0.55 0.00 0.01 -0.20 -3.49 113.70 108.40 1tqj s SER 98 Ca -0.05 -3.15 0.34 0.00 1.31 0.00 0.00 55.95 54.41 1tqj s SER 98 Cb 0.01 -0.96 1.46 0.00 0.21 0.00 0.00 66.02 66.74 1tqj s SER 98 CO 0.07 -0.18 2.01 1.55 0.41 0.00 0.00 173.24 177.10 1tqj h PRO 99 N 5.92 0.00 -2.28 12.44 0.13 -1.77 -3.24 132.00 143.20 1tqj h PRO 99 Ca 0.15 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.65 1tqj h PRO 99 Cb 0.87 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.60 1tqj h PRO 99 CO 0.50 0.00 -0.40 0.72 -0.23 0.00 0.00 178.00 178.59 1tqj n HIS 100 N -3.04 3.86 -0.26 1.56 8.25 -1.26 -4.95 115.22 119.38 1tqj n HIS 100 Ca 0.00 -3.80 0.02 0.00 -0.26 0.00 0.00 57.72 53.69 1tqj n HIS 100 Cb 0.28 -0.60 0.15 0.00 1.12 0.00 0.00 29.99 30.94 1tqj n HIS 100 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1tqj h LEU 101 N 3.21 0.49 -0.81 2.41 5.85 -1.93 -2.58 115.31 121.95 1tqj h LEU 101 Ca 0.19 0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.02 1tqj h LEU 101 Cb 0.48 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 1tqj h LEU 101 CO 0.87 0.27 0.50 -0.74 -0.34 0.00 0.00 178.44 179.01 1tqj h HIS 102 N 0.63 0.93 -0.36 1.25 2.76 -1.92 -0.73 115.15 117.71 1tqj h HIS 102 Ca 0.37 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.54 1tqj h HIS 102 Cb 0.39 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1tqj h HIS 102 CO -0.10 0.50 0.14 0.00 -1.30 0.00 0.00 177.93 177.17 1tqj h ARG 103 N 0.94 0.55 -0.51 5.26 -0.00 -1.90 -1.39 114.38 117.33 1tqj h ARG 103 Ca 0.34 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.98 59.68 1tqj h ARG 103 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 29.97 29.96 1tqj h ARG 103 CO -0.15 0.53 0.17 1.15 0.00 0.00 0.00 179.97 181.68 1tqj h THR 104 N 0.44 1.23 -0.57 2.04 2.02 -1.24 0.96 112.91 117.79 1tqj h THR 104 Ca 0.12 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.56 1tqj h THR 104 Cb 0.19 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1tqj h THR 104 CO -0.01 0.28 0.34 -0.07 0.37 0.00 0.00 175.52 176.43 1tqj h LEU 105 N 0.69 0.68 -1.18 2.58 3.38 -1.01 -1.97 115.31 118.47 1tqj h LEU 105 Ca 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1tqj h LEU 105 Cb 0.25 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1tqj h LEU 105 CO -0.01 0.53 0.41 0.00 0.09 0.00 0.00 178.44 179.47 1tqj h GLN 107 N 0.99 0.54 -0.62 0.00 4.15 -0.40 -0.18 115.11 119.59 1tqj h GLN 107 Ca 0.26 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.64 1tqj h GLN 107 Cb -0.01 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 1tqj h GLN 107 CO -0.05 0.39 0.40 0.82 -1.93 0.00 0.00 178.83 178.46 1tqj h ILE 108 N 0.53 1.13 -0.07 2.39 2.04 -1.20 -2.23 117.51 120.09 1tqj h ILE 108 Ca 0.14 -0.27 -0.13 0.00 1.00 0.00 0.00 64.86 65.59 1tqj h ILE 108 Cb -0.01 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1tqj h ILE 108 CO -0.03 0.15 -0.56 0.03 0.00 0.00 0.00 178.15 177.74 1tqj h ARG 109 N 0.80 0.21 0.00 2.37 3.08 -1.04 -2.36 114.38 117.44 1tqj h ARG 109 Ca 0.23 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 1tqj h ARG 109 Cb -0.05 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 1tqj h ARG 109 CO -0.07 0.71 -0.17 0.93 -1.07 0.00 0.00 179.97 180.30 1tqj h GLU 110 N 0.16 0.00 -0.01 0.04 5.08 -0.70 -0.45 114.58 118.71 1tqj h GLU 110 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tqj h GLU 110 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1tqj h GLU 110 CO 0.08 0.17 0.00 1.28 -1.00 0.00 0.00 179.01 179.54 1tqj n LEU 111 N -3.76 0.11 -0.23 1.33 4.77 -0.87 -4.90 117.00 113.45 1tqj n LEU 111 Ca -0.02 -0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 55.89 1tqj n LEU 111 Cb 0.28 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1tqj n LEU 111 CO 0.32 0.02 -0.03 0.61 -1.33 0.00 0.00 177.39 176.99 1tqj n GLY 112 N 0.80 0.61 3.83 -0.72 0.00 -0.18 -5.04 105.19 104.50 1tqj n GLY 112 Ca 0.13 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 1tqj n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tqj s LYS 113 N -1.85 2.69 -0.07 1.61 -0.14 -0.92 -5.02 119.74 116.04 1tqj s LYS 113 Ca 0.00 -1.31 -0.26 0.00 -1.36 0.00 0.00 55.97 53.04 1tqj s LYS 113 Cb 0.00 -2.44 -0.03 0.00 -1.68 0.00 0.00 37.83 33.68 1tqj s LYS 113 CO 0.00 0.12 0.80 0.15 -0.76 0.00 0.00 175.35 175.66 1tqj s LYS 114 N -3.97 4.44 -0.14 1.68 -0.14 -0.63 -3.82 119.74 117.17 1tqj s LYS 114 Ca 0.40 1.06 -0.16 0.00 -1.36 0.00 0.00 55.97 55.90 1tqj s LYS 114 Cb -0.05 -3.48 -0.04 0.00 -1.68 0.00 0.00 37.83 32.58 1tqj s LYS 114 CO 0.26 -0.05 0.40 0.00 -0.76 0.00 0.00 175.35 175.20 1tqj s ALA 115 N 1.13 3.52 0.05 5.17 0.00 -1.26 -0.93 121.76 129.44 1tqj s ALA 115 Ca 0.42 -0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.13 1tqj s ALA 115 Cb -0.18 -2.54 -0.03 0.00 0.00 0.00 0.00 23.12 20.36 1tqj s ALA 115 CO 0.20 0.03 -0.15 0.20 0.00 0.00 0.00 175.76 176.04 1tqj s GLY 116 N 0.57 1.64 -0.08 0.00 0.00 -0.19 -0.74 107.32 108.52 1tqj s GLY 116 Ca 0.22 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.79 1tqj s GLY 116 CO 0.07 -1.07 -0.17 0.00 0.00 0.00 0.00 173.10 171.93 1tqj s ALA 117 N -0.99 2.52 -0.06 3.20 0.00 -0.47 -0.93 121.76 125.03 1tqj s ALA 117 Ca 0.16 -0.96 0.05 0.00 0.00 0.00 0.00 51.96 51.21 1tqj s ALA 117 Cb -0.11 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1tqj s ALA 117 CO 0.07 0.40 -0.22 0.08 0.00 0.00 0.00 175.76 176.09 1tqj s VAL 118 N -0.15 2.32 -0.16 0.00 1.01 0.19 -0.73 120.40 122.87 1tqj s VAL 118 Ca -0.02 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1tqj s VAL 118 Cb -0.14 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.39 1tqj s VAL 118 CO 0.04 0.57 -0.20 -0.76 0.00 0.00 0.00 175.10 174.75 1tqj s LEU 119 N -0.25 2.18 0.95 3.92 1.02 -0.51 -2.11 118.68 123.88 1tqj s LEU 119 Ca -0.00 -0.61 -0.11 0.00 0.02 0.00 0.00 54.13 53.43 1tqj s LEU 119 Cb -0.13 -1.48 0.14 0.00 0.02 0.00 0.00 46.19 44.74 1tqj s LEU 119 CO 0.03 0.04 1.00 0.59 0.02 0.00 0.00 176.35 178.03 1tqj n ASN 120 N 4.37 -0.26 -0.32 2.29 3.02 -1.26 -1.99 115.26 121.11 1tqj n ASN 120 Ca -0.20 0.35 0.12 0.00 -0.03 0.00 0.00 54.58 54.82 1tqj n ASN 120 Cb 0.51 -1.41 0.34 0.00 -0.61 0.00 0.00 39.78 38.61 1tqj n ASN 120 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1tqj h PRO 121 N -1.92 0.74 0.00 3.52 0.11 -1.84 -1.08 132.00 131.52 1tqj h PRO 121 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1tqj h PRO 121 Cb 1.28 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1tqj h PRO 121 CO 0.41 0.49 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 1tqj n SER 122 N -4.64 0.76 -4.71 -2.05 3.41 -1.26 -4.89 113.62 100.24 1tqj n SER 122 Ca 0.20 0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 58.97 1tqj n SER 122 Cb 0.51 -0.78 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 1tqj n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1tqj s THR 123 N -3.11 4.38 0.63 6.66 2.01 -0.41 -5.01 115.64 120.78 1tqj s THR 123 Ca 0.10 1.70 -0.11 0.00 0.31 0.00 0.00 61.69 63.70 1tqj s THR 123 Cb 0.12 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 1tqj s THR 123 CO 0.58 0.10 1.03 -2.16 -0.69 0.00 0.00 174.62 173.48 1tqj s PRO 124 N 1.31 3.46 0.23 4.92 0.04 -1.26 -4.85 135.00 138.85 1tqj s PRO 124 Ca 0.55 0.67 0.24 0.00 0.04 0.00 0.00 61.00 62.50 1tqj s PRO 124 Cb -0.25 -2.08 0.93 0.00 0.04 0.00 0.00 34.50 33.14 1tqj s PRO 124 CO 0.27 -0.64 1.72 1.28 0.04 0.00 0.00 177.00 179.67 1tqj n LEU 125 N -2.77 0.66 -0.08 -3.56 4.77 -1.26 -2.90 117.00 111.86 1tqj n LEU 125 Ca 0.06 0.64 0.20 0.00 -0.03 0.00 0.00 56.01 56.88 1tqj n LEU 125 Cb 0.55 -0.51 0.64 0.00 -2.33 0.00 0.00 43.42 41.76 1tqj n LEU 125 CO 0.58 -0.45 1.20 0.44 -1.33 0.00 0.00 177.39 177.83 1tqj h ASP 126 N 0.00 0.12 0.29 -1.43 3.32 -2.02 0.10 116.42 116.81 1tqj h ASP 126 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1tqj h ASP 126 Cb 0.45 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1tqj h ASP 126 CO 0.00 0.06 0.00 0.49 -1.72 0.00 0.00 179.24 178.07 1tqj n PHE 127 N -4.40 0.66 0.69 4.55 3.01 -1.14 -2.02 117.46 118.81 1tqj n PHE 127 Ca 0.13 0.31 0.09 0.00 1.01 0.00 0.00 57.45 58.99 1tqj n PHE 127 Cb 0.64 -1.00 0.09 0.00 -0.01 0.00 0.00 39.48 39.21 1tqj n PHE 127 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1tqj n LEU 128 N -2.15 2.64 0.28 4.37 4.77 0.36 -4.70 117.00 122.56 1tqj n LEU 128 Ca 0.00 -1.08 0.11 0.00 -0.03 0.00 0.00 56.01 55.01 1tqj n LEU 128 Cb 0.11 -0.03 0.76 0.00 -2.33 0.00 0.00 43.42 41.92 1tqj n LEU 128 CO 0.13 0.48 1.09 -0.33 -1.33 0.00 0.00 177.39 177.43 1tqj h GLU 129 N 3.64 0.00 -0.02 3.23 5.08 -1.43 -2.87 114.58 122.21 1tqj h GLU 129 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1tqj h GLU 129 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1tqj h GLU 129 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 1tqj n TYR 130 N -4.25 0.02 0.10 4.33 4.02 -1.26 -4.67 117.16 115.44 1tqj n TYR 130 Ca -0.03 -0.06 0.01 0.00 -0.01 0.00 0.00 57.90 57.81 1tqj n TYR 130 Cb 0.09 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 1tqj n TYR 130 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1tqj n VAL 131 N 0.19 0.00 -0.34 -0.72 0.24 -1.09 -4.80 118.33 111.80 1tqj n VAL 131 Ca 0.03 -0.49 0.09 0.00 -2.04 0.00 0.00 64.34 61.92 1tqj n VAL 131 Cb 0.13 1.04 0.26 0.00 -1.47 0.00 0.00 33.84 33.79 1tqj n VAL 131 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1tqj h LEU 132 N 0.35 0.80 -2.27 1.34 3.38 -1.80 -0.65 115.31 116.47 1tqj h LEU 132 Ca 0.00 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.07 1tqj h LEU 132 Cb 0.08 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1tqj h LEU 132 CO 0.00 0.37 0.24 -0.65 0.09 0.00 0.00 178.44 178.49 1tqj h PRO 133 N 0.85 0.00 -0.37 1.13 0.11 -1.91 -1.91 132.00 129.90 1tqj h PRO 133 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1tqj h PRO 133 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1tqj h PRO 133 CO -0.32 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.80 1tqj n VAL 134 N -3.35 1.31 -3.56 3.15 0.24 -0.27 -4.92 118.33 110.93 1tqj n VAL 134 Ca 0.00 -1.19 -0.38 0.00 -2.04 0.00 0.00 64.34 60.73 1tqj n VAL 134 Cb 0.33 0.33 -0.10 0.00 -1.47 0.00 0.00 33.84 32.92 1tqj n VAL 134 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tqj h ASP 136 N 8.23 0.00 -4.34 0.00 3.32 -1.24 -3.43 116.42 118.97 1tqj h ASP 136 Ca -0.35 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.58 1tqj h ASP 136 Cb 1.18 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.51 1tqj h ASP 136 CO 0.58 0.37 -0.26 -0.22 -1.72 0.00 0.00 179.24 177.98 1tqj s LEU 137 N -6.37 0.65 -0.13 1.55 0.20 -0.95 -1.56 118.68 112.08 1tqj s LEU 137 Ca 0.05 0.49 0.03 0.00 0.69 0.00 0.00 54.13 55.38 1tqj s LEU 137 Cb 0.07 1.31 0.01 0.00 -0.43 0.00 0.00 46.19 47.15 1tqj s LEU 137 CO 0.73 -0.27 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.68 1tqj s ILE 138 N -0.45 1.99 -0.30 6.68 -1.09 0.17 -1.37 121.20 126.83 1tqj s ILE 138 Ca -0.06 -0.94 -0.10 0.00 -2.23 0.00 0.00 60.65 57.32 1tqj s ILE 138 Cb -0.04 -1.76 -0.02 0.00 -1.58 0.00 0.00 42.46 39.07 1tqj s ILE 138 CO 0.02 0.54 0.16 -0.22 -1.23 0.00 0.00 174.94 174.21 1tqj s LEU 139 N 0.77 4.02 -0.50 2.97 2.96 0.09 -0.30 118.68 128.69 1tqj s LEU 139 Ca -0.09 -0.33 -0.17 0.00 -0.22 0.00 0.00 54.13 53.33 1tqj s LEU 139 Cb -0.16 -2.03 0.08 0.00 0.50 0.00 0.00 46.19 44.58 1tqj s LEU 139 CO -0.00 -0.14 0.51 -0.63 -1.32 0.00 0.00 176.35 174.77 1tqj s ILE 140 N 1.66 5.07 0.23 6.68 -1.09 0.26 -1.43 121.20 132.59 1tqj s ILE 140 Ca 0.06 -0.91 -0.30 0.00 -2.23 0.00 0.00 60.65 57.27 1tqj s ILE 140 Cb -0.16 -4.24 -0.10 0.00 -1.58 0.00 0.00 42.46 36.38 1tqj s ILE 140 CO 0.07 -0.74 1.40 -0.04 -1.23 0.00 0.00 174.94 174.41 1tqj s MET 141 N 2.07 4.31 -0.03 2.79 -1.94 -0.84 -2.59 119.30 123.06 1tqj s MET 141 Ca 0.08 2.22 0.06 0.00 -1.71 0.00 0.00 55.69 56.34 1tqj s MET 141 Cb -0.23 -3.14 0.14 0.00 2.01 0.00 0.00 34.83 33.61 1tqj s MET 141 CO 0.08 -0.37 1.10 -1.13 -0.01 0.00 0.00 175.02 174.69 1tqj n SER 142 N 2.44 2.36 -3.97 3.03 3.41 0.18 -3.96 113.62 117.11 1tqj n SER 142 Ca 0.07 -2.19 -0.09 0.00 -0.26 0.00 0.00 58.87 56.40 1tqj n SER 142 Cb 0.41 -0.14 -0.08 0.00 -0.26 0.00 0.00 64.21 64.14 1tqj n SER 142 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1tqj s VAL 143 N -1.33 0.14 -0.17 -3.33 -7.23 -1.24 -1.07 120.40 106.16 1tqj s VAL 143 Ca 0.12 -1.46 -0.15 0.00 -1.81 0.00 0.00 61.98 58.67 1tqj s VAL 143 Cb 0.08 -1.59 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 1tqj s VAL 143 CO 0.05 -0.62 0.35 0.20 -0.31 0.00 0.00 175.10 174.77 1tqj s ASN 144 N -2.92 6.46 -0.16 4.85 0.01 -1.26 -4.71 114.94 117.21 1tqj s ASN 144 Ca 0.11 0.54 0.17 0.00 -0.71 0.00 0.00 52.86 52.97 1tqj s ASN 144 Cb 0.06 -2.21 0.47 0.00 0.41 0.00 0.00 41.25 39.97 1tqj s ASN 144 CO -0.06 0.02 1.36 -0.81 -1.51 0.00 0.00 177.10 176.09 1tqj n PRO 145 N 3.94 2.55 -0.02 -0.60 -0.04 -1.26 -5.04 135.00 134.52 1tqj n PRO 145 Ca -0.10 -2.76 -0.04 0.00 -0.04 0.00 0.00 63.50 60.56 1tqj n PRO 145 Cb 0.52 -1.75 -0.02 0.00 -0.04 0.00 0.00 33.50 32.20 1tqj n PRO 145 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1tqj n GLN 150 N -0.70 0.12 -3.02 0.54 3.00 -1.26 -5.10 117.38 110.96 1tqj n GLN 150 Ca 0.20 0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.82 1tqj n GLN 150 Cb 0.82 -1.04 -0.06 0.00 0.00 0.00 0.00 30.24 29.96 1tqj n GLN 150 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1tqj s SER 151 N -4.61 7.27 0.10 1.08 1.04 -1.26 -3.92 113.70 113.39 1tqj s SER 151 Ca -0.07 1.51 -0.36 0.00 0.48 0.00 0.00 55.95 57.51 1tqj s SER 151 Cb 0.02 -2.47 -0.16 0.00 0.10 0.00 0.00 66.02 63.51 1tqj s SER 151 CO 0.11 0.14 1.43 0.33 0.98 0.00 0.00 173.24 176.23 1tqj n PHE 152 N 2.12 1.77 -2.97 5.02 7.35 -1.26 -4.73 117.46 124.76 1tqj n PHE 152 Ca -0.05 0.51 -0.43 0.00 -0.76 0.00 0.00 57.45 56.72 1tqj n PHE 152 Cb 0.50 -2.40 -0.05 0.00 0.35 0.00 0.00 39.48 37.87 1tqj n PHE 152 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1tqj s ILE 153 N 0.75 4.62 0.55 -2.13 1.01 -0.23 -4.94 121.20 120.83 1tqj s ILE 153 Ca 0.83 0.24 0.24 0.00 0.00 0.00 0.00 60.65 61.96 1tqj s ILE 153 Cb -0.87 -4.37 0.31 0.00 0.01 0.00 0.00 42.46 37.55 1tqj s ILE 153 CO 0.45 -0.83 2.20 -0.65 0.00 0.00 0.00 174.94 176.11 1tqj h PRO 154 N 9.06 0.00 0.00 2.79 0.11 -1.91 -2.64 132.00 139.41 1tqj h PRO 154 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1tqj h PRO 154 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1tqj h PRO 154 CO 0.99 0.01 0.00 0.93 -0.21 0.00 0.00 178.00 179.72 1tqj h GLU 155 N 0.00 0.00 -0.00 1.05 3.07 -1.98 -2.29 114.58 114.43 1tqj h GLU 155 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1tqj h GLU 155 Cb 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1tqj h GLU 155 CO 0.00 0.00 -0.04 1.33 -1.40 0.00 0.00 179.01 178.91 1tqj n VAL 156 N -2.88 0.00 -0.06 3.13 0.24 -1.00 -4.00 118.33 113.77 1tqj n VAL 156 Ca -0.02 -0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.19 1tqj n VAL 156 Cb 0.08 -0.44 -0.02 0.00 -1.47 0.00 0.00 33.84 31.99 1tqj n VAL 156 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1tqj h LEU 157 N 0.01 0.12 -1.72 1.34 3.38 -1.63 -1.20 115.31 115.62 1tqj h LEU 157 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1tqj h LEU 157 Cb 0.47 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1tqj h LEU 157 CO 0.00 0.10 -0.00 -0.65 0.09 0.00 0.00 178.44 177.98 1tqj h PRO 158 N 0.21 0.17 -0.66 1.13 0.11 -1.81 -2.04 132.00 129.11 1tqj h PRO 158 Ca 0.10 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.17 1tqj h PRO 158 Cb 0.05 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 1tqj h PRO 158 CO -0.09 0.19 0.34 -0.22 -0.21 0.00 0.00 178.00 178.01 1tqj h LYS 159 N 0.17 0.93 -0.25 1.05 3.64 -1.43 -0.76 116.57 119.92 1tqj h LYS 159 Ca 0.04 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 1tqj h LYS 159 Cb 0.13 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1tqj h LYS 159 CO 0.00 0.72 -0.05 0.82 -2.27 0.00 0.00 179.45 178.67 1tqj h ILE 160 N 0.91 1.28 -0.66 2.00 2.04 -0.90 -0.95 117.51 121.23 1tqj h ILE 160 Ca 0.23 -1.05 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 1tqj h ILE 160 Cb 0.07 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.57 1tqj h ILE 160 CO -0.03 0.33 0.24 0.03 0.00 0.00 0.00 178.15 178.72 1tqj h ARG 161 N 0.23 1.01 -0.54 2.37 3.08 -1.31 -1.01 114.38 118.22 1tqj h ARG 161 Ca 0.07 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.84 1tqj h ARG 161 Cb 0.51 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1tqj h ARG 161 CO 0.02 0.86 0.00 0.00 -1.07 0.00 0.00 179.97 179.78 1tqj h ALA 162 N 1.10 0.99 -0.47 0.04 0.00 -1.04 -2.13 119.26 117.76 1tqj h ALA 162 Ca 0.22 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1tqj h ALA 162 Cb 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1tqj h ALA 162 CO -0.01 0.62 0.18 1.25 0.00 0.00 0.00 179.25 181.28 1tqj h LEU 163 N 0.85 0.65 -0.90 0.00 5.85 -0.86 -1.13 115.31 119.76 1tqj h LEU 163 Ca 0.16 -0.17 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1tqj h LEU 163 Cb 0.50 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1tqj h LEU 163 CO 0.02 0.64 0.55 -0.09 -0.34 0.00 0.00 178.44 179.23 1tqj h ARG 164 N 0.61 0.93 -0.47 1.25 9.65 -0.97 -0.20 114.38 125.18 1tqj h ARG 164 Ca 0.15 -0.06 -0.11 0.00 -1.10 0.00 0.00 59.98 58.87 1tqj h ARG 164 Cb 0.20 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1tqj h ARG 164 CO -0.01 0.62 -0.14 1.96 2.80 0.00 0.00 179.97 185.20 1tqj h GLN 165 N 0.96 0.93 -0.74 0.20 1.08 -1.09 -0.75 115.11 115.70 1tqj h GLN 165 Ca 0.42 -0.37 0.04 0.00 -1.45 0.00 0.00 58.65 57.29 1tqj h GLN 165 Cb 0.29 -0.05 -0.05 0.00 -0.05 0.00 0.00 27.48 27.62 1tqj h GLN 165 CO -0.21 1.02 0.46 0.52 -0.95 0.00 0.00 178.83 179.67 1tqj h MET 166 N 0.77 0.85 -0.28 1.46 2.86 -0.41 -0.51 114.93 119.68 1tqj h MET 166 Ca 0.12 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1tqj h MET 166 Cb 0.70 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1tqj h MET 166 CO 0.05 0.56 -0.03 0.00 1.06 0.00 0.00 176.91 178.55 1tqj h ASP 168 N 0.28 0.73 -0.17 0.00 3.32 -0.79 0.60 116.42 120.39 1tqj h ASP 168 Ca 0.07 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 1tqj h ASP 168 Cb 0.49 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1tqj h ASP 168 CO 0.02 0.63 0.10 -0.33 -1.72 0.00 0.00 179.24 177.95 1tqj h GLU 169 N 0.77 0.25 -0.01 3.56 5.08 -1.12 -2.30 114.58 120.81 1tqj h GLU 169 Ca 0.20 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1tqj h GLU 169 Cb 0.08 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1tqj h GLU 169 CO -0.03 0.18 -0.26 0.54 -1.00 0.00 0.00 179.01 178.44 1tqj n ARG 170 N -4.49 1.19 -2.75 2.33 1.74 -0.93 -4.95 116.66 108.80 1tqj n ARG 170 Ca -0.00 -0.83 -0.14 0.00 -0.77 0.00 0.00 57.85 56.11 1tqj n ARG 170 Cb 0.09 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 30.07 1tqj n ARG 170 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1tqj n GLY 171 N 1.34 -0.09 3.72 -0.13 0.00 -0.55 -5.03 105.19 104.45 1tqj n GLY 171 Ca 0.12 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 1tqj n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tqj s LEU 172 N -4.46 3.49 -0.37 0.99 1.43 0.09 -5.02 118.68 114.83 1tqj s LEU 172 Ca 0.20 -0.39 0.13 0.00 -1.03 0.00 0.00 54.13 53.04 1tqj s LEU 172 Cb -0.09 -2.06 0.39 0.00 0.03 0.00 0.00 46.19 44.46 1tqj s LEU 172 CO 0.25 0.02 0.92 -0.67 0.23 0.00 0.00 176.35 177.10 1tqj n ASP 173 N -0.70 0.35 -4.74 2.29 2.03 -1.26 -4.23 116.55 110.29 1tqj n ASP 173 Ca -0.08 -2.93 -0.30 0.00 0.52 0.00 0.00 54.79 52.00 1tqj n ASP 173 Cb 0.57 -0.09 0.11 0.00 -0.72 0.00 0.00 41.12 40.99 1tqj n ASP 173 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1tqj s PRO 174 N -2.05 1.76 0.39 -0.67 0.04 -1.26 -4.97 135.00 128.24 1tqj s PRO 174 Ca 0.31 1.00 -0.27 0.00 0.04 0.00 0.00 61.00 62.08 1tqj s PRO 174 Cb 0.39 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.97 1tqj s PRO 174 CO -0.03 -1.94 1.43 -1.58 0.04 0.00 0.00 177.00 174.92 1tqj s TRP 175 N -2.92 2.63 -0.37 0.56 0.52 -0.60 -4.88 118.94 113.88 1tqj s TRP 175 Ca 0.62 1.24 -0.01 0.00 0.02 0.00 0.00 56.10 57.98 1tqj s TRP 175 Cb -0.18 -3.93 0.10 0.00 -1.15 0.00 0.00 33.47 28.32 1tqj s TRP 175 CO 0.56 -2.76 0.12 0.42 0.02 0.00 0.00 176.95 175.31 1tqj s ILE 176 N -1.16 2.95 -0.05 2.03 1.01 -1.26 -0.66 121.20 124.07 1tqj s ILE 176 Ca 0.55 -2.01 -0.03 0.00 0.00 0.00 0.00 60.65 59.16 1tqj s ILE 176 Cb -0.44 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1tqj s ILE 176 CO 0.59 -0.55 0.12 -0.70 0.00 0.00 0.00 174.94 174.40 1tqj s GLU 177 N 1.10 3.28 0.01 2.79 2.12 0.60 -0.98 118.70 127.61 1tqj s GLU 177 Ca 0.06 -0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.11 1tqj s GLU 177 Cb -0.21 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 31.14 1tqj s GLU 177 CO -0.05 0.70 -0.13 0.08 -0.54 0.00 0.00 175.26 175.32 1tqj s VAL 178 N -1.16 1.04 -0.06 3.70 1.01 -0.63 -0.58 120.40 123.72 1tqj s VAL 178 Ca 0.21 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1tqj s VAL 178 Cb -0.12 -0.90 0.04 0.00 0.00 0.00 0.00 36.38 35.40 1tqj s VAL 178 CO 0.11 0.19 0.08 -0.62 0.00 0.00 0.00 175.10 174.87 1tqj s ASP 179 N -0.58 1.21 0.00 3.32 2.15 -1.07 -1.48 116.67 120.23 1tqj s ASP 179 Ca 0.04 0.04 0.00 0.00 0.43 0.00 0.00 52.55 53.06 1tqj s ASP 179 Cb -0.06 -0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.49 1tqj s ASP 179 CO 0.00 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.35 1tqj n GLY 180 N 5.30 2.33 2.17 2.66 0.00 -1.26 -0.65 105.19 115.74 1tqj n GLY 180 Ca -0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 1tqj n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tqj n GLY 181 N 0.00 0.80 3.77 -0.02 0.00 -1.25 -4.25 105.19 104.25 1tqj n GLY 181 Ca 0.00 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 1tqj n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tqj s LEU 182 N -1.35 4.29 0.28 0.99 1.43 -1.26 -4.39 118.68 118.66 1tqj s LEU 182 Ca 0.00 0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 53.51 1tqj s LEU 182 Cb 0.00 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1tqj s LEU 182 CO 0.00 0.22 0.38 -1.59 0.23 0.00 0.00 176.35 175.59 1tqj s LYS 183 N -0.07 1.62 0.37 1.70 -2.85 -1.26 -4.59 119.74 114.66 1tqj s LYS 183 Ca 0.14 -1.60 0.08 0.00 -1.00 0.00 0.00 55.97 53.60 1tqj s LYS 183 Cb -0.12 0.40 0.82 0.00 -2.06 0.00 0.00 37.83 36.87 1tqj s LYS 183 CO 0.03 -0.64 1.94 -1.35 0.10 0.00 0.00 175.35 175.43 1tqj h PRO 184 N 2.28 0.65 0.00 1.78 0.11 -1.85 -2.50 132.00 132.47 1tqj h PRO 184 Ca -0.29 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 1tqj h PRO 184 Cb 1.24 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1tqj h PRO 184 CO 0.41 0.43 -0.19 -2.95 -0.21 0.00 0.00 178.00 175.49 1tqj h ASN 185 N 0.67 0.00 0.00 -2.05 -1.07 -1.96 -3.37 115.58 107.80 1tqj h ASN 185 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.72 1tqj h ASN 185 Cb 0.46 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.71 1tqj h ASN 185 CO -0.13 0.19 0.00 -0.46 0.07 0.00 0.00 177.43 177.10 1tqj n ASN 186 N -3.36 0.58 0.20 6.14 6.94 -1.04 -4.75 115.26 119.99 1tqj n ASN 186 Ca 0.00 -0.89 0.06 0.00 -0.02 0.00 0.00 54.58 53.73 1tqj n ASN 186 Cb 0.41 0.12 0.43 0.00 -2.36 0.00 0.00 39.78 38.38 1tqj n ASN 186 CO 0.00 0.00 0.00 0.74 -1.03 0.00 0.00 177.26 176.97 1tqj h THR 187 N 0.25 0.99 -0.99 5.53 2.02 -1.62 -2.35 112.91 116.74 1tqj h THR 187 Ca 0.00 -1.19 0.27 0.00 0.77 0.00 0.00 66.41 66.26 1tqj h THR 187 Cb 0.12 1.69 -0.06 0.00 -1.74 0.00 0.00 68.15 68.16 1tqj h THR 187 CO 0.00 0.31 0.68 4.11 0.37 0.00 0.00 175.52 180.99 1tqj h TRP 188 N 0.00 0.26 -0.45 3.16 5.08 -1.84 -0.95 115.95 121.21 1tqj h TRP 188 Ca -0.00 0.01 0.05 0.00 1.08 0.00 0.00 58.89 60.03 1tqj h TRP 188 Cb 0.66 -0.08 -0.05 0.00 -3.00 0.00 0.00 29.16 26.69 1tqj h TRP 188 CO 0.00 0.04 0.17 1.96 -1.28 0.00 0.00 178.44 179.33 1tqj h GLN 189 N 0.18 0.33 0.04 0.12 4.20 -1.79 -0.31 115.11 117.88 1tqj h GLN 189 Ca 0.50 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.96 1tqj h GLN 189 Cb 1.66 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.34 1tqj h GLN 189 CO -0.11 0.22 -1.08 -0.39 -0.67 0.00 0.00 178.83 176.81 1tqj h VAL 190 N 0.34 1.64 -0.44 -0.54 -1.51 -1.39 -2.92 116.25 111.44 1tqj h VAL 190 Ca 0.21 -3.30 -0.01 0.00 -1.23 0.00 0.00 66.70 62.37 1tqj h VAL 190 Cb 0.19 2.88 -0.02 0.00 -2.13 0.00 0.00 31.29 32.21 1tqj h VAL 190 CO -0.20 0.95 0.23 -0.07 -1.23 0.00 0.00 177.57 177.24 1tqj h LEU 191 N 0.03 0.57 -1.45 4.19 3.38 -1.17 -1.28 115.31 119.57 1tqj h LEU 191 Ca -0.05 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1tqj h LEU 191 Cb 1.83 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.42 1tqj h LEU 191 CO 0.15 0.51 -0.03 -0.33 0.09 0.00 0.00 178.44 178.84 1tqj h GLU 192 N 0.58 0.33 0.00 1.13 5.08 -1.11 -2.33 114.58 118.26 1tqj h GLU 192 Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1tqj h GLU 192 Cb 0.08 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1tqj h GLU 192 CO -0.02 0.38 0.00 0.00 -1.00 0.00 0.00 179.01 178.36 1tqj h ALA 193 N 1.66 1.00 0.00 3.43 0.00 -1.25 -3.47 119.26 120.64 1tqj h ALA 193 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1tqj h ALA 193 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tqj h ALA 193 CO 0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1tqj n GLY 194 N 0.72 1.12 3.78 0.00 0.00 -0.86 -3.48 105.19 106.47 1tqj n GLY 194 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1tqj n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tqj s ALA 195 N -1.90 3.06 0.00 4.61 0.00 -0.54 -4.84 121.76 122.16 1tqj s ALA 195 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1tqj s ALA 195 Cb 0.00 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1tqj s ALA 195 CO 0.00 -0.35 0.36 0.27 0.00 0.00 0.00 175.76 176.05 1tqj n ASN 196 N -0.19 0.45 -3.81 0.00 0.23 -0.15 -4.49 115.26 107.31 1tqj n ASN 196 Ca 0.06 -1.13 -0.24 0.00 -0.53 0.00 0.00 54.58 52.73 1tqj n ASN 196 Cb 0.49 0.00 -0.17 0.00 -2.08 0.00 0.00 39.78 38.02 1tqj n ASN 196 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1tqj s ALA 197 N -0.13 0.90 -0.18 -2.53 0.00 -0.88 -0.64 121.76 118.30 1tqj s ALA 197 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 51.96 51.66 1tqj s ALA 197 Cb 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 1tqj s ALA 197 CO 0.00 -0.49 -0.10 0.42 0.00 0.00 0.00 175.76 175.59 1tqj s ILE 198 N 1.89 3.01 -0.20 0.00 -1.09 0.40 -1.61 121.20 123.60 1tqj s ILE 198 Ca 0.05 -0.64 -0.14 0.00 -2.23 0.00 0.00 60.65 57.69 1tqj s ILE 198 Cb -0.13 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 1tqj s ILE 198 CO -0.06 0.48 0.31 -0.69 -1.23 0.00 0.00 174.94 173.75 1tqj s VAL 199 N 1.02 5.27 0.03 2.92 1.01 -0.55 -0.37 120.40 129.73 1tqj s VAL 199 Ca -0.01 0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.54 1tqj s VAL 199 Cb -0.15 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1tqj s VAL 199 CO -0.02 0.32 -0.12 0.00 0.00 0.00 0.00 175.10 175.29 1tqj s ALA 200 N 0.96 0.94 0.00 5.51 0.00 -1.22 -4.36 121.76 123.59 1tqj s ALA 200 Ca 0.15 -0.74 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1tqj s ALA 200 Cb -0.14 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1tqj s ALA 200 CO 0.06 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.38 1tqj n GLY 201 N 1.93 0.59 0.27 0.00 0.00 -1.26 -0.90 105.19 105.82 1tqj n GLY 201 Ca -0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1tqj n GLY 201 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1tqj h SER 202 N 0.00 0.07 0.19 1.61 4.64 -1.89 -1.00 113.55 117.16 1tqj h SER 202 Ca 0.00 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1tqj h SER 202 Cb 0.00 -0.02 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1tqj h SER 202 CO 0.00 0.05 -0.07 0.00 -0.87 0.00 0.00 176.83 175.93 1tqj h ALA 203 N 1.96 1.43 0.00 5.18 0.00 -1.88 -0.06 119.26 125.89 1tqj h ALA 203 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1tqj h ALA 203 Cb 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1tqj h ALA 203 CO -0.00 0.09 -0.77 0.28 0.00 0.00 0.00 179.25 178.85 1tqj n VAL 204 N -3.80 1.46 0.29 0.00 0.31 -0.49 -4.23 118.33 111.87 1tqj n VAL 204 Ca -0.02 0.17 0.18 0.00 -0.01 0.00 0.00 64.34 64.66 1tqj n VAL 204 Cb 0.17 -2.36 0.77 0.00 -0.91 0.00 0.00 33.84 31.50 1tqj n VAL 204 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1tqj h PHE 205 N -1.00 0.00 -0.02 3.52 0.04 -1.24 -2.07 116.94 116.17 1tqj h PHE 205 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1tqj h PHE 205 Cb 0.76 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.91 1tqj h PHE 205 CO -0.31 0.00 -0.15 0.09 -0.60 0.00 0.00 178.31 177.35 1tqj n ASN 206 N -3.10 1.96 -4.81 2.17 3.02 -0.04 -4.97 115.26 109.49 1tqj n ASN 206 Ca 0.00 -1.53 -0.33 0.00 -0.03 0.00 0.00 54.58 52.69 1tqj n ASN 206 Cb 0.27 0.12 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 1tqj n ASN 206 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tqj s ALA 207 N -2.20 2.89 -0.37 5.41 0.00 -0.78 -4.96 121.76 121.76 1tqj s ALA 207 Ca 0.28 0.48 0.27 0.00 0.00 0.00 0.00 51.96 52.99 1tqj s ALA 207 Cb 0.20 -3.22 0.97 0.00 0.00 0.00 0.00 23.12 21.07 1tqj s ALA 207 CO 0.41 -0.35 1.79 -1.00 0.00 0.00 0.00 175.76 176.61 1tqj h PRO 208 N 1.28 0.00 -2.74 0.00 0.13 -1.93 -3.41 132.00 125.33 1tqj h PRO 208 Ca -0.48 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.26 1tqj h PRO 208 Cb 1.21 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.96 1tqj h PRO 208 CO 0.59 0.00 -0.69 1.21 -0.23 0.00 0.00 178.00 178.89 1tqj s ASN 209 N -4.94 1.90 0.21 1.44 3.84 -1.26 -5.05 114.94 111.08 1tqj s ASN 209 Ca 0.05 -0.46 -0.08 0.00 0.21 0.00 0.00 52.86 52.58 1tqj s ASN 209 Cb 0.09 0.09 0.15 0.00 -0.55 0.00 0.00 41.25 41.04 1tqj s ASN 209 CO 0.51 -0.34 1.78 1.88 -2.79 0.00 0.00 177.10 178.14 1tqj h TYR 210 N 8.36 1.18 -0.62 0.43 0.05 -1.84 -1.99 116.97 122.55 1tqj h TYR 210 Ca -0.16 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.54 1tqj h TYR 210 Cb 1.14 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 38.49 1tqj h TYR 210 CO 0.16 0.88 0.39 0.00 -1.05 0.00 0.00 178.16 178.54 1tqj h ALA 211 N 1.17 0.78 -0.68 3.88 0.00 -1.92 -0.88 119.26 121.62 1tqj h ALA 211 Ca 0.27 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1tqj h ALA 211 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1tqj h ALA 211 CO -0.03 0.24 0.24 0.93 0.00 0.00 0.00 179.25 180.64 1tqj h GLU 212 N 0.84 1.03 -0.18 0.00 5.08 -1.82 -1.16 114.58 118.36 1tqj h GLU 212 Ca 0.22 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1tqj h GLU 212 Cb -0.06 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1tqj h GLU 212 CO -0.04 0.88 0.03 0.00 -1.00 0.00 0.00 179.01 178.88 1tqj h ALA 213 N 1.10 0.24 -0.53 3.43 0.00 -0.94 -0.47 119.26 122.08 1tqj h ALA 213 Ca 0.22 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1tqj h ALA 213 Cb 0.26 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1tqj h ALA 213 CO -0.01 -0.10 0.32 0.82 0.00 0.00 0.00 179.25 180.28 1tqj h ILE 214 N 0.09 1.06 -0.43 0.00 2.04 -1.10 -0.70 117.51 118.48 1tqj h ILE 214 Ca 0.05 -0.22 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 1tqj h ILE 214 Cb 0.30 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1tqj h ILE 214 CO 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 178.15 178.19 1tqj h ALA 215 N 1.23 1.06 -0.30 1.87 0.00 -1.13 -1.12 119.26 120.88 1tqj h ALA 215 Ca 0.21 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1tqj h ALA 215 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1tqj h ALA 215 CO -0.09 0.58 -0.23 0.78 0.00 0.00 0.00 179.25 180.28 1tqj h GLY 216 N 0.97 0.63 0.64 0.00 0.00 -0.63 -0.00 103.07 104.68 1tqj h GLY 216 Ca 0.12 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1tqj h GLY 216 CO 0.03 0.48 -0.01 -2.08 0.00 0.00 0.00 176.54 174.96 1tqj h VAL 217 N 0.52 1.30 -0.85 4.60 2.07 -0.92 -2.61 116.25 120.36 1tqj h VAL 217 Ca 0.08 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.69 1tqj h VAL 217 Cb 0.68 1.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 1tqj h VAL 217 CO 0.05 0.25 0.56 -0.09 0.02 0.00 0.00 177.57 178.36 1tqj h ARG 218 N -0.32 1.08 -0.37 1.57 2.43 -0.90 -2.99 114.38 114.88 1tqj h ARG 218 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1tqj h ARG 218 Cb 0.40 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1tqj h ARG 218 CO 0.00 0.72 0.00 0.09 -1.51 0.00 0.00 179.97 179.27 1tqj n ASN 219 N -4.42 4.24 -4.75 -3.80 3.02 -0.04 -5.02 115.26 104.49 1tqj n ASN 219 Ca 0.10 -2.83 -0.41 0.00 -0.03 0.00 0.00 54.58 51.41 1tqj n ASN 219 Cb 0.06 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 1tqj n ASN 219 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1tqj s SER 220 N -1.49 6.34 0.04 6.41 0.15 -0.98 -4.99 113.70 119.18 1tqj s SER 220 Ca 0.43 2.98 0.03 0.00 0.70 0.00 0.00 55.95 60.09 1tqj s SER 220 Cb 0.33 -2.64 -0.02 0.00 -1.71 0.00 0.00 66.02 61.98 1tqj s SER 220 CO 0.13 -0.94 -0.10 -0.54 1.20 0.00 0.00 173.24 172.99 1tqj s LYS 221 N -0.48 0.67 0.49 5.44 -0.14 -1.26 -4.29 119.74 120.18 1tqj s LYS 221 Ca 0.64 -0.72 -0.23 0.00 -1.36 0.00 0.00 55.97 54.30 1tqj s LYS 221 Cb -0.48 -0.57 -0.06 0.00 -1.68 0.00 0.00 37.83 35.03 1tqj s LYS 221 CO 0.48 0.13 1.26 -0.98 -0.76 0.00 0.00 175.35 175.48 1tqj s ARG 222 N -1.31 3.50 0.00 1.68 1.70 -1.26 -4.86 118.95 118.40 1tqj s ARG 222 Ca -0.04 2.01 0.31 0.00 -0.47 0.00 0.00 55.73 57.55 1tqj s ARG 222 Cb -0.08 -2.37 1.88 0.00 -0.57 0.00 0.00 34.95 33.81 1tqj s ARG 222 CO 0.01 -0.83 2.20 -0.35 -1.08 0.00 0.00 175.30 175.25