#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 6.37 0.22 4.39 0.01 -1.26 -5.02 114.94 119.65 1tqj s ASN 4 Ca 0.00 1.04 -0.31 0.00 -0.71 0.00 0.00 52.86 52.88 1tqj s ASN 4 Cb 0.00 -2.29 -0.11 0.00 0.41 0.00 0.00 41.25 39.25 1tqj s ASN 4 CO 0.00 -0.52 1.66 -0.63 -1.51 0.00 0.00 177.10 176.10 1tqj s ILE 5 N -2.61 2.16 -0.09 0.60 -1.09 -1.26 -4.93 121.20 113.97 1tqj s ILE 5 Ca 0.49 0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 59.01 1tqj s ILE 5 Cb -0.10 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.67 1tqj s ILE 5 CO 0.40 0.01 0.02 -0.69 -1.23 0.00 0.00 174.94 173.45 1tqj s VAL 6 N 0.85 4.49 -0.16 2.92 1.01 0.04 -5.02 120.40 124.54 1tqj s VAL 6 Ca 0.71 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.50 1tqj s VAL 6 Cb -0.48 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1tqj s VAL 6 CO 0.36 0.60 -0.13 -0.69 0.00 0.00 0.00 175.10 175.25 1tqj s VAL 7 N -0.91 2.92 -0.54 2.92 1.01 -1.26 -0.67 120.40 123.88 1tqj s VAL 7 Ca 0.14 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1tqj s VAL 7 Cb -0.11 -2.25 0.14 0.00 0.00 0.00 0.00 36.38 34.16 1tqj s VAL 7 CO 0.03 0.50 0.32 0.00 0.00 0.00 0.00 175.10 175.95 1tqj s ALA 8 N 0.78 2.98 0.32 5.51 0.00 0.26 -1.32 121.76 130.30 1tqj s ALA 8 Ca -0.05 -3.17 -0.29 0.00 0.00 0.00 0.00 51.96 48.45 1tqj s ALA 8 Cb -0.15 -2.05 -0.12 0.00 0.00 0.00 0.00 23.12 20.80 1tqj s ALA 8 CO 0.01 -2.05 1.51 -2.30 0.00 0.00 0.00 175.76 172.93 1tqj n PRO 9 N 2.94 2.57 -2.77 0.00 -0.02 -1.23 -3.34 135.00 133.15 1tqj n PRO 9 Ca 0.11 0.91 -0.43 0.00 -2.02 0.00 0.00 63.50 62.07 1tqj n PRO 9 Cb 0.34 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 31.15 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 0.17 6.47 0.56 2.55 0.15 0.41 -1.32 113.70 122.70 1tqj s SER 10 Ca 0.60 0.06 0.37 0.00 0.70 0.00 0.00 55.95 57.67 1tqj s SER 10 Cb -0.51 -2.47 1.85 0.00 -1.71 0.00 0.00 66.02 63.18 1tqj s SER 10 CO 0.55 -1.16 2.12 -0.29 1.20 0.00 0.00 173.24 175.66 1tqj h ILE 11 N 6.10 0.00 -0.35 6.45 6.09 -1.51 -2.06 117.51 132.23 1tqj h ILE 11 Ca -0.24 -0.17 0.10 0.00 -1.37 0.00 0.00 64.86 63.18 1tqj h ILE 11 Cb 1.07 1.08 -0.01 0.00 0.47 0.00 0.00 36.82 39.42 1tqj h ILE 11 CO 1.07 0.00 0.37 -0.07 -3.07 0.00 0.00 178.15 176.45 1tqj h LEU 12 N 0.00 0.00 -0.96 2.19 3.38 -1.92 -0.59 115.31 117.40 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 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1tqj h LEU 12 CO 0.00 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.33 1tqj n SER 13 N -3.75 1.49 -4.96 -0.43 7.64 -0.77 -4.94 113.62 107.90 1tqj n SER 13 Ca 0.06 -1.51 -0.23 0.00 1.01 0.00 0.00 58.87 58.20 1tqj n SER 13 Cb 0.54 -0.01 0.04 0.00 -1.01 0.00 0.00 64.21 63.77 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 -1.98 3.67 -0.66 -0.43 0.00 -0.23 -4.77 121.76 117.36 1tqj s ALA 14 Ca 0.38 -1.18 -0.27 0.00 0.00 0.00 0.00 51.96 50.88 1tqj s ALA 14 Cb 0.21 -2.24 0.02 0.00 0.00 0.00 0.00 23.12 21.11 1tqj s ALA 14 CO 0.33 -0.87 1.39 0.34 0.00 0.00 0.00 175.76 176.95 1tqj s ASP 15 N -4.43 6.05 0.00 0.00 3.68 -1.26 -4.89 116.67 115.82 1tqj s ASP 15 Ca 0.57 -0.09 0.19 0.00 2.13 0.00 0.00 52.55 55.36 1tqj s ASP 15 Cb -0.10 -2.55 0.91 0.00 -1.45 0.00 0.00 42.92 39.73 1tqj s ASP 15 CO 0.40 -1.85 1.59 0.49 0.13 0.00 0.00 175.17 175.94 1tqj n PHE 16 N 9.82 0.00 0.33 -5.34 3.01 -1.26 -1.78 117.46 122.24 1tqj n PHE 16 Ca 0.09 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.69 1tqj n PHE 16 Cb 0.49 -0.35 0.50 0.00 -0.01 0.00 0.00 39.48 40.11 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 -1.17 4.37 4.64 -2.04 -3.36 113.55 115.99 1tqj h SER 17 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1tqj h SER 17 Cb 0.23 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 61.95 1tqj h SER 17 CO 0.00 0.00 -1.08 0.54 -0.87 0.00 0.00 176.83 175.42 1tqj n ARG 18 N -2.83 1.08 -0.33 4.77 1.74 -0.73 -4.97 116.66 115.38 1tqj n ARG 18 Ca 0.02 -3.08 -0.03 0.00 -0.77 0.00 0.00 57.85 53.99 1tqj n ARG 18 Cb 0.35 -1.27 0.11 0.00 -1.02 0.00 0.00 32.46 30.63 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 2.91 1.11 -0.57 0.55 5.85 -1.70 -1.63 115.31 121.83 1tqj h LEU 19 Ca -0.05 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 1tqj h LEU 19 Cb 1.12 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 1tqj h LEU 19 CO 0.42 0.87 0.23 1.23 -0.34 0.00 0.00 178.44 180.85 1tqj h GLY 20 N 1.27 0.92 1.09 3.75 0.00 -1.93 0.63 103.07 108.79 1tqj h GLY 20 Ca 0.32 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 1tqj h GLY 20 CO -0.06 0.48 0.37 0.83 0.00 0.00 0.00 176.54 178.16 1tqj h GLU 21 N 0.79 1.17 -0.41 4.80 5.08 -1.85 -1.53 114.58 122.64 1tqj h GLU 21 Ca 0.19 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1tqj h GLU 21 Cb 0.21 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1tqj h GLU 21 CO -0.01 0.91 -0.29 0.93 -1.00 0.00 0.00 179.01 179.55 1tqj h GLU 22 N 1.16 0.92 0.13 2.33 4.39 -0.72 -0.67 114.58 122.12 1tqj h GLU 22 Ca 0.28 -0.44 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1tqj h GLU 22 Cb 0.14 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1tqj h GLU 22 CO -0.03 1.10 -0.06 0.82 -1.16 0.00 0.00 179.01 179.67 1tqj h ILE 23 N 0.74 0.89 -0.77 3.13 1.08 -0.73 -0.68 117.51 121.18 1tqj h ILE 23 Ca 0.08 -0.08 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1tqj h ILE 23 Cb 0.88 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 35.52 1tqj h ILE 23 CO 0.08 0.02 0.47 0.11 -0.69 0.00 0.00 178.15 178.14 1tqj h LYS 24 N -0.21 0.86 -0.06 2.37 1.79 -1.20 -1.62 116.57 118.50 1tqj h LYS 24 Ca -0.02 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1tqj h LYS 24 Cb 0.16 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1tqj h LYS 24 CO 0.03 0.57 0.02 0.00 -1.08 0.00 0.00 179.45 178.98 1tqj h ALA 25 N 1.35 0.08 -0.07 3.86 0.00 -0.88 -1.47 119.26 122.13 1tqj h ALA 25 Ca 0.33 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 1tqj h ALA 25 Cb 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1tqj h ALA 25 CO -0.15 -0.30 -0.55 -0.39 0.00 0.00 0.00 179.25 177.86 1tqj h VAL 26 N -0.12 1.37 0.48 0.00 -1.51 -0.96 -1.04 116.25 114.48 1tqj h VAL 26 Ca 0.02 -1.87 -0.02 0.00 -1.23 0.00 0.00 66.70 63.60 1tqj h VAL 26 Cb 0.23 1.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1tqj h VAL 26 CO -0.00 0.55 -0.23 -0.78 -1.23 0.00 0.00 177.57 175.88 1tqj h ASP 27 N 0.15 -0.55 0.56 4.19 1.82 -1.22 -0.93 116.42 120.43 1tqj h ASP 27 Ca -0.00 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.61 1tqj h ASP 27 Cb 1.02 0.14 -0.00 0.00 0.68 0.00 0.00 39.33 41.17 1tqj h ASP 27 CO 0.08 -0.37 -0.15 -0.33 -1.61 0.00 0.00 179.24 176.86 1tqj h GLU 28 N -0.68 0.00 0.00 0.28 5.08 -1.19 -0.95 114.58 117.13 1tqj h GLU 28 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1tqj h GLU 28 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1tqj h GLU 28 CO 0.11 0.15 0.00 0.00 -1.00 0.00 0.00 179.01 178.27 1tqj n ALA 29 N -2.25 2.54 0.00 3.43 0.00 -0.40 -4.89 120.51 118.94 1tqj n ALA 29 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1tqj n ALA 29 Cb 0.30 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 0.94 1.13 3.71 0.00 0.00 -0.36 -4.31 105.19 106.30 1tqj n GLY 30 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1tqj n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tqj n ALA 31 N -1.31 1.70 0.00 4.61 0.00 -0.37 -4.89 120.51 120.25 1tqj n ALA 31 Ca 0.00 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.64 1tqj n ALA 31 Cb 0.00 -2.34 -0.14 0.00 0.00 0.00 0.00 19.45 16.97 1tqj n ALA 31 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1tqj h ASP 32 N 3.93 0.29 -3.58 0.00 3.32 -1.54 -3.44 116.42 115.39 1tqj h ASP 32 Ca -0.46 -0.97 -0.39 0.00 0.02 0.00 0.00 57.03 55.22 1tqj h ASP 32 Cb 1.26 -0.10 -0.14 0.00 0.22 0.00 0.00 39.33 40.57 1tqj h ASP 32 CO 0.73 1.25 -0.71 0.26 -1.72 0.00 0.00 179.24 179.05 1tqj s TRP 33 N -2.35 1.54 -0.21 4.55 0.51 -1.10 -3.92 118.94 117.96 1tqj s TRP 33 Ca -0.16 -0.71 -0.07 0.00 -2.12 0.00 0.00 56.10 53.04 1tqj s TRP 33 Cb -0.01 -0.78 -0.03 0.00 -0.81 0.00 0.00 33.47 31.84 1tqj s TRP 33 CO 0.78 0.18 0.05 0.42 -0.51 0.00 0.00 176.95 177.87 1tqj s ILE 34 N -3.19 4.42 -0.19 2.03 -1.09 -0.06 -3.46 121.20 119.66 1tqj s ILE 34 Ca 0.22 -0.15 -0.09 0.00 -2.23 0.00 0.00 60.65 58.40 1tqj s ILE 34 Cb 0.02 -3.02 -0.05 0.00 -1.58 0.00 0.00 42.46 37.83 1tqj s ILE 34 CO 0.05 0.41 0.11 -2.28 -1.23 0.00 0.00 174.94 172.00 1tqj s HIS 35 N 0.97 3.37 -0.19 3.97 5.65 -0.43 -0.71 115.29 127.92 1tqj s HIS 35 Ca 0.03 0.27 0.01 0.00 0.25 0.00 0.00 55.06 55.62 1tqj s HIS 35 Cb -0.14 -2.14 0.03 0.00 -1.18 0.00 0.00 32.58 29.16 1tqj s HIS 35 CO 0.03 0.26 -0.15 0.08 -0.65 0.00 0.00 174.74 174.31 1tqj s VAL 36 N 0.34 1.83 -0.34 0.89 1.01 0.32 -1.24 120.40 123.21 1tqj s VAL 36 Ca 0.07 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 1tqj s VAL 36 Cb -0.11 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.49 1tqj s VAL 36 CO -0.01 0.34 0.22 -1.81 0.00 0.00 0.00 175.10 173.84 1tqj s ASP 37 N 1.35 5.89 -0.27 3.32 1.01 -1.26 -0.75 116.67 125.96 1tqj s ASP 37 Ca 0.02 -0.52 -0.12 0.00 0.71 0.00 0.00 52.55 52.63 1tqj s ASP 37 Cb -0.15 -2.09 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 1tqj s ASP 37 CO -0.10 -0.25 0.24 -0.69 0.21 0.00 0.00 175.17 174.58 1tqj s VAL 38 N 1.68 5.27 -0.03 -1.27 1.01 -0.47 -4.42 120.40 122.17 1tqj s VAL 38 Ca 0.05 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.36 1tqj s VAL 38 Cb -0.18 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1tqj s VAL 38 CO 0.09 0.23 -0.13 -0.04 0.00 0.00 0.00 175.10 175.26 1tqj s MET 39 N 1.77 1.33 0.00 2.72 -1.94 -1.26 -0.15 119.30 121.77 1tqj s MET 39 Ca 0.10 -0.44 0.17 0.00 -1.71 0.00 0.00 55.69 53.80 1tqj s MET 39 Cb -0.16 -1.20 0.27 0.00 2.01 0.00 0.00 34.83 35.76 1tqj s MET 39 CO 0.10 0.17 1.18 -0.40 -0.01 0.00 0.00 175.02 176.06 1tqj n ASP 40 N 3.23 2.83 0.00 3.03 5.75 -1.23 -1.71 116.55 128.45 1tqj n ASP 40 Ca -0.18 -1.83 0.00 0.00 -0.01 0.00 0.00 54.79 52.77 1tqj n ASP 40 Cb 0.54 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 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 1.00 0.63 0.60 6.12 0.00 0.57 -4.81 105.19 109.29 1tqj n GLY 41 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.98 0.21 -0.08 1.61 5.12 -1.26 -4.56 116.66 115.72 1tqj n ARG 42 Ca 0.00 0.08 -0.03 0.00 -1.93 0.00 0.00 57.85 55.97 1tqj n ARG 42 Cb 0.04 -0.83 0.20 0.00 -1.16 0.00 0.00 32.46 30.71 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 0.76 -3.83 -1.55 3.57 -1.87 -3.43 116.94 110.18 1tqj h PHE 43 Ca 0.00 -0.09 -0.29 0.00 3.53 0.00 0.00 57.97 61.12 1tqj h PHE 43 Cb 0.40 -0.21 -0.18 0.00 2.79 0.00 0.00 35.95 38.74 1tqj h PHE 43 CO -0.17 0.70 -0.73 0.14 -2.23 0.00 0.00 178.31 176.02 1tqj s VAL 44 N -5.02 0.77 -0.37 1.41 -7.23 -1.26 -5.01 120.40 103.69 1tqj s VAL 44 Ca -0.09 -1.54 -0.05 0.00 -1.81 0.00 0.00 61.98 58.49 1tqj s VAL 44 Cb 0.15 -1.21 -0.08 0.00 0.56 0.00 0.00 36.38 35.79 1tqj s VAL 44 CO 0.80 -0.57 3.12 -0.81 -0.31 0.00 0.00 175.10 177.33 1tqj n PRO 45 N 0.70 2.42 -3.66 4.82 -0.04 -1.26 -2.95 135.00 135.03 1tqj n PRO 45 Ca -0.17 -1.83 -0.15 0.00 -0.04 0.00 0.00 63.50 61.30 1tqj n PRO 45 Cb 0.57 -2.14 -0.08 0.00 -0.04 0.00 0.00 33.50 31.82 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 1.14 -0.44 -0.11 3.54 2.47 -1.26 -4.96 114.94 115.32 1tqj s ASN 46 Ca 0.63 0.52 0.01 0.00 0.42 0.00 0.00 52.86 54.43 1tqj s ASN 46 Cb 0.34 0.55 -0.02 0.00 -1.45 0.00 0.00 41.25 40.67 1tqj s ASN 46 CO -0.11 -0.45 -0.12 -0.63 -3.72 0.00 0.00 177.10 172.06 1tqj s ILE 47 N -0.94 3.15 0.00 -5.21 1.01 -1.26 -0.32 121.20 117.63 1tqj s ILE 47 Ca -0.10 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1tqj s ILE 47 Cb -0.03 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.14 1tqj s ILE 47 CO 0.06 0.54 0.00 0.35 0.00 0.00 0.00 174.94 175.89 1tqj n THR 48 N 3.11 0.00 -3.79 2.92 -2.24 -0.70 -4.95 114.28 108.64 1tqj n THR 48 Ca -0.18 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1tqj n THR 48 Cb 0.53 -0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.55 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 0.11 0.03 0.00 2.28 -4.36 -1.26 -4.96 121.20 113.03 1tqj s ILE 49 Ca 0.00 -0.26 0.00 0.00 -0.26 0.00 0.00 60.65 60.13 1tqj s ILE 49 Cb 0.00 -0.46 0.00 0.00 1.25 0.00 0.00 42.46 43.25 1tqj s ILE 49 CO 0.00 -0.14 0.00 0.61 0.24 0.00 0.00 174.94 175.65 1tqj n GLY 50 N 2.19 3.28 0.41 6.27 0.00 -1.26 -4.46 105.19 111.62 1tqj n GLY 50 Ca -0.17 -2.12 0.21 0.00 0.00 0.00 0.00 46.02 43.94 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 0.20 0.00 1.61 0.11 -1.99 -1.92 132.00 130.02 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 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.06 1tqj h PRO 51 CO 0.00 0.14 -0.00 1.37 -0.21 0.00 0.00 178.00 179.29 1tqj h LEU 52 N 0.21 0.00 -0.11 2.35 -0.00 -1.96 0.38 115.31 116.18 1tqj h LEU 52 Ca 0.38 0.00 -0.24 0.00 -0.00 0.00 0.00 57.88 58.02 1tqj h LEU 52 Cb 1.19 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.86 1tqj h LEU 52 CO -0.08 0.00 -0.99 0.40 -0.00 0.00 0.00 178.44 177.77 1tqj h ILE 53 N 0.00 1.37 -0.59 0.15 1.08 -1.72 -1.18 117.51 116.61 1tqj h ILE 53 Ca -0.00 -2.41 -0.00 0.00 -0.39 0.00 0.00 64.86 62.05 1tqj h ILE 53 Cb 0.01 2.43 -0.03 0.00 -3.07 0.00 0.00 36.82 36.16 1tqj h ILE 53 CO 0.00 0.73 0.36 0.58 -0.69 0.00 0.00 178.15 179.13 1tqj h VAL 54 N 0.27 1.17 -0.65 1.67 2.07 -1.33 -1.78 116.25 117.68 1tqj h VAL 54 Ca -0.10 -0.38 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1tqj h VAL 54 Cb 1.64 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 1tqj h VAL 54 CO 0.18 0.18 0.25 -0.78 0.02 0.00 0.00 177.57 177.41 1tqj h ASP 55 N 0.80 0.88 -0.34 0.57 1.82 -0.90 -1.13 116.42 118.12 1tqj h ASP 55 Ca 0.21 -0.13 -0.09 0.00 -0.39 0.00 0.00 57.03 56.63 1tqj h ASP 55 Cb -0.03 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.74 1tqj h ASP 55 CO -0.04 0.79 -0.12 0.00 -1.61 0.00 0.00 179.24 178.27 1tqj h ALA 56 N 1.33 0.99 0.02 -0.78 0.00 -0.74 -3.16 119.26 116.92 1tqj h ALA 56 Ca 0.22 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.61 1tqj h ALA 56 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1tqj h ALA 56 CO -0.02 0.60 -0.95 0.82 0.00 0.00 0.00 179.25 179.70 1tqj h ILE 57 N 0.70 1.62 -0.82 0.00 2.04 -1.04 -3.40 117.51 116.61 1tqj h ILE 57 Ca 0.12 -3.08 0.07 0.00 1.00 0.00 0.00 64.86 62.97 1tqj h ILE 57 Cb 0.60 2.70 -0.06 0.00 -0.74 0.00 0.00 36.82 39.31 1tqj h ILE 57 CO 0.04 0.88 0.49 -0.09 0.00 0.00 0.00 178.15 179.47 1tqj h ARG 58 N 0.03 0.84 0.00 2.37 9.65 -1.17 -0.61 114.38 125.48 1tqj h ARG 58 Ca -0.03 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1tqj h ARG 58 Cb 1.66 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 30.05 1tqj h ARG 58 CO 0.13 0.55 0.00 -0.35 2.80 0.00 0.00 179.97 183.11 1tqj n PRO 59 N -4.69 0.03 0.02 0.20 -0.05 -1.26 -3.78 135.00 125.47 1tqj n PRO 59 Ca 0.12 0.24 0.11 0.00 -0.05 0.00 0.00 63.50 63.92 1tqj n PRO 59 Cb 0.21 -1.55 -0.02 0.00 -0.05 0.00 0.00 33.50 32.10 1tqj n PRO 59 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 1tqj n LEU 60 N -1.60 0.59 -3.80 1.53 4.77 -0.24 -4.90 117.00 113.34 1tqj n LEU 60 Ca 0.04 -0.06 -0.12 0.00 -0.03 0.00 0.00 56.01 55.83 1tqj n LEU 60 Cb 0.20 -0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 1tqj n LEU 60 CO 0.16 0.05 -0.07 0.28 -1.33 0.00 0.00 177.39 176.48 1tqj s THR 61 N -3.22 0.05 -2.22 -5.08 -1.32 -1.23 -4.71 115.64 97.90 1tqj s THR 61 Ca 0.03 -0.39 0.22 0.00 -1.21 0.00 0.00 61.69 60.33 1tqj s THR 61 Cb 0.14 -0.47 0.44 0.00 -1.51 0.00 0.00 72.50 71.10 1tqj s THR 61 CO 0.82 -0.21 1.39 2.29 -2.21 0.00 0.00 174.62 176.70 1tqj n LYS 62 N 1.88 2.48 -1.59 7.08 2.85 -1.26 -4.85 118.16 124.75 1tqj n LYS 62 Ca -0.19 -2.29 -0.31 0.00 -1.05 0.00 0.00 58.31 54.47 1tqj n LYS 62 Cb 0.57 -1.49 0.05 0.00 -0.65 0.00 0.00 35.03 33.50 1tqj n LYS 62 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1tqj s LYS 63 N -1.34 2.93 0.24 -1.58 1.02 -1.26 -4.98 119.74 114.77 1tqj s LYS 63 Ca 0.38 0.92 -0.31 0.00 0.02 0.00 0.00 55.97 56.98 1tqj s LYS 63 Cb 0.22 -1.99 -0.11 0.00 -0.52 0.00 0.00 37.83 35.42 1tqj s LYS 63 CO 0.30 -1.09 1.62 0.99 -0.92 0.00 0.00 175.35 176.25 1tqj s THR 64 N -3.06 2.21 -0.35 2.17 2.01 -1.25 -4.80 115.64 112.55 1tqj s THR 64 Ca 0.58 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.60 1tqj s THR 64 Cb -0.14 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.26 1tqj s THR 64 CO 0.55 0.02 0.28 -0.76 -0.69 0.00 0.00 174.62 174.02 1tqj s LEU 65 N 0.41 4.61 -0.45 4.42 1.43 -1.26 -0.88 118.68 126.95 1tqj s LEU 65 Ca 0.68 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 53.20 1tqj s LEU 65 Cb -0.47 -2.19 0.08 0.00 0.03 0.00 0.00 46.19 43.64 1tqj s LEU 65 CO 0.39 -0.30 0.34 -0.62 0.23 0.00 0.00 176.35 176.38 1tqj s ASP 66 N 1.72 5.88 -0.29 2.29 2.15 0.11 -1.34 116.67 127.19 1tqj s ASP 66 Ca 0.07 -1.50 -0.07 0.00 0.43 0.00 0.00 52.55 51.49 1tqj s ASP 66 Cb -0.17 -2.08 0.01 0.00 -0.30 0.00 0.00 42.92 40.37 1tqj s ASP 66 CO 0.11 -0.62 0.08 -0.69 -0.17 0.00 0.00 175.17 173.88 1tqj s VAL 67 N 1.52 3.97 -0.35 1.11 1.01 -0.26 -0.52 120.40 126.88 1tqj s VAL 67 Ca 0.04 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.19 1tqj s VAL 67 Cb -0.24 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1tqj s VAL 67 CO 0.04 0.09 0.39 -2.28 0.00 0.00 0.00 175.10 173.34 1tqj s HIS 68 N 1.50 3.20 -0.66 5.22 2.46 0.07 -0.60 115.29 126.48 1tqj s HIS 68 Ca 0.03 -0.00 -0.20 0.00 0.47 0.00 0.00 55.06 55.36 1tqj s HIS 68 Cb -0.17 -2.72 0.10 0.00 -0.13 0.00 0.00 32.58 29.65 1tqj s HIS 68 CO 0.02 -0.46 0.85 -0.51 -2.47 0.00 0.00 174.74 172.17 1tqj s LEU 69 N 2.09 5.00 -1.12 8.88 1.43 0.56 -1.36 118.68 134.16 1tqj s LEU 69 Ca 0.13 -1.36 -0.04 0.00 -1.03 0.00 0.00 54.13 51.83 1tqj s LEU 69 Cb -0.16 -2.35 0.27 0.00 0.03 0.00 0.00 46.19 43.98 1tqj s LEU 69 CO 0.12 -1.22 1.71 0.80 0.23 0.00 0.00 176.35 177.99 1tqj n MET 70 N 6.83 4.62 -3.93 1.70 1.56 0.78 -4.13 117.12 124.56 1tqj n MET 70 Ca -0.03 -4.34 -0.09 0.00 -0.27 0.00 0.00 57.70 52.97 1tqj n MET 70 Cb 0.44 -2.57 -0.08 0.00 2.15 0.00 0.00 33.22 33.16 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 -2.58 0.16 0.52 1.12 -4.36 -1.26 -3.62 121.20 111.17 1tqj s ILE 71 Ca 0.36 -1.28 -0.17 0.00 -0.26 0.00 0.00 60.65 59.31 1tqj s ILE 71 Cb 0.10 -1.23 -0.07 0.00 1.25 0.00 0.00 42.46 42.51 1tqj s ILE 71 CO 0.01 -0.71 0.99 0.68 0.24 0.00 0.00 174.94 176.16 1tqj s VAL 72 N -3.45 4.43 -1.36 8.37 -7.23 -1.26 -4.16 120.40 115.74 1tqj s VAL 72 Ca 0.02 1.18 -0.05 0.00 -1.81 0.00 0.00 61.98 61.32 1tqj s VAL 72 Cb 0.04 -3.67 0.00 0.00 0.56 0.00 0.00 36.38 33.30 1tqj s VAL 72 CO -0.09 -0.65 0.48 1.21 -0.31 0.00 0.00 175.10 175.74 1tqj n GLU 73 N -1.61 -2.75 0.27 4.82 2.13 -1.14 -4.84 120.64 117.51 1tqj n GLU 73 Ca 0.07 0.39 0.11 0.00 0.66 0.00 0.00 57.16 58.39 1tqj n GLU 73 Cb 0.54 -4.35 0.75 0.00 0.27 0.00 0.00 31.44 28.65 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 -1.88 0.00 -0.85 5.31 0.13 -1.77 -1.52 132.00 131.42 1tqj h PRO 74 Ca -0.64 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.73 1tqj h PRO 74 Cb 1.37 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 1tqj h PRO 74 CO 0.60 0.02 0.65 1.05 -0.23 0.00 0.00 178.00 180.09 1tqj h GLU 75 N 0.00 0.00 -0.34 0.86 9.09 -1.92 -0.58 114.58 121.70 1tqj h GLU 75 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1tqj h GLU 75 Cb 0.05 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.13 1tqj h GLU 75 CO 0.00 0.00 0.22 0.87 0.05 0.00 0.00 179.01 180.15 1tqj h LYS 76 N 0.00 0.45 -0.01 1.06 1.57 -1.63 -3.26 116.57 114.75 1tqj h LYS 76 Ca 0.40 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1tqj h LYS 76 Cb 1.69 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.90 1tqj h LYS 76 CO -0.00 0.30 -0.21 0.66 -0.57 0.00 0.00 179.45 179.63 1tqj n TYR 77 N -4.48 0.00 -0.09 -1.35 4.02 -0.27 -4.73 117.16 110.26 1tqj n TYR 77 Ca 0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.85 1tqj n TYR 77 Cb 0.07 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.40 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 1.13 0.86 -0.90 -0.72 2.07 -1.48 -1.49 116.25 115.71 1tqj h VAL 78 Ca 0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1tqj h VAL 78 Cb 0.34 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1tqj h VAL 78 CO 0.00 0.04 0.56 -0.08 0.02 0.00 0.00 177.57 178.10 1tqj h GLU 79 N 0.20 1.21 -0.73 1.57 4.81 -1.85 -1.03 114.58 118.76 1tqj h GLU 79 Ca 0.15 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1tqj h GLU 79 Cb 0.16 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 1tqj h GLU 79 CO -0.19 0.83 0.38 -0.44 -0.73 0.00 0.00 179.01 178.87 1tqj h ASP 80 N 1.23 0.94 0.25 1.04 3.32 -1.68 0.14 116.42 121.65 1tqj h ASP 80 Ca 0.32 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 57.09 1tqj h ASP 80 Cb -0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1tqj h ASP 80 CO -0.06 0.78 -0.66 -0.26 -1.72 0.00 0.00 179.24 177.31 1tqj h PHE 81 N 1.02 0.50 -0.59 4.55 0.04 -1.10 -1.48 116.94 119.87 1tqj h PHE 81 Ca 0.26 -0.21 -0.03 0.00 2.80 0.00 0.00 57.97 60.79 1tqj h PHE 81 Cb 0.07 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 1tqj h PHE 81 CO 0.00 0.93 0.27 0.00 -0.60 0.00 0.00 178.31 178.92 1tqj h ALA 82 N 1.01 0.77 -0.69 2.45 0.00 -0.73 -1.21 119.26 120.86 1tqj h ALA 82 Ca -0.02 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1tqj h ALA 82 Cb 1.21 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1tqj h ALA 82 CO 0.11 0.35 0.25 1.57 0.00 0.00 0.00 179.25 181.53 1tqj h LYS 83 N 0.81 1.05 0.00 0.00 5.09 -0.91 -2.47 116.57 120.14 1tqj h LYS 83 Ca 0.20 -0.21 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1tqj h LYS 83 Cb 0.15 -0.16 0.00 0.00 0.10 0.00 0.00 32.23 32.32 1tqj h LYS 83 CO -0.02 0.88 0.00 0.00 -2.09 0.00 0.00 179.45 178.22 1tqj h ALA 84 N 1.11 1.00 0.00 0.07 0.00 -1.10 -3.46 119.26 116.87 1tqj h ALA 84 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1tqj h ALA 84 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1tqj h ALA 84 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1tqj n GLY 85 N -0.42 1.61 3.77 0.00 0.00 -0.93 -3.71 105.19 105.50 1tqj n GLY 85 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.55 -0.24 4.61 0.00 -0.48 -4.71 121.76 122.48 1tqj s ALA 86 Ca 0.00 1.43 0.05 0.00 0.00 0.00 0.00 51.96 53.44 1tqj s ALA 86 Cb 0.00 -3.55 -0.18 0.00 0.00 0.00 0.00 23.12 19.39 1tqj s ALA 86 CO 0.00 -0.86 -0.16 -0.25 0.00 0.00 0.00 175.76 174.50 1tqj n ASP 87 N 0.76 1.63 -4.25 0.00 8.00 -0.45 -4.68 116.55 117.55 1tqj n ASP 87 Ca 0.01 -0.10 -0.32 0.00 0.71 0.00 0.00 54.79 55.09 1tqj n ASP 87 Cb 0.40 -0.08 -0.17 0.00 -0.02 0.00 0.00 41.12 41.26 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 -2.49 2.06 -0.20 0.53 1.01 -0.89 -1.48 121.20 119.75 1tqj s ILE 88 Ca -0.28 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.33 1tqj s ILE 88 Cb 0.08 -1.76 0.04 0.00 0.01 0.00 0.00 42.46 40.83 1tqj s ILE 88 CO 0.63 0.57 -0.13 -0.63 0.00 0.00 0.00 174.94 175.38 1tqj s ILE 89 N 0.03 1.80 -0.12 2.92 1.01 -0.11 -1.11 121.20 125.63 1tqj s ILE 89 Ca -0.10 -1.06 -0.02 0.00 0.00 0.00 0.00 60.65 59.46 1tqj s ILE 89 Cb -0.15 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1tqj s ILE 89 CO 0.06 0.23 -0.02 -0.94 0.00 0.00 0.00 174.94 174.27 1tqj s SER 90 N 1.34 5.00 0.19 3.58 1.04 0.23 -1.25 113.70 123.83 1tqj s SER 90 Ca -0.01 0.01 0.08 0.00 0.48 0.00 0.00 55.95 56.51 1tqj s SER 90 Cb -0.16 -1.57 -0.04 0.00 0.10 0.00 0.00 66.02 64.35 1tqj s SER 90 CO -0.09 0.28 -0.16 0.68 0.98 0.00 0.00 173.24 174.94 1tqj s VAL 91 N -0.32 1.75 0.32 5.02 -7.23 -0.04 -0.32 120.40 119.57 1tqj s VAL 91 Ca 0.06 -2.10 -0.22 0.00 -1.81 0.00 0.00 61.98 57.90 1tqj s VAL 91 Cb -0.12 -1.96 -0.10 0.00 0.56 0.00 0.00 36.38 34.76 1tqj s VAL 91 CO 0.02 -0.50 0.87 -1.00 -0.31 0.00 0.00 175.10 174.18 1tqj s HIS 92 N -2.65 3.58 -0.43 2.82 3.76 -1.26 -0.82 115.29 120.29 1tqj s HIS 92 Ca 0.20 1.59 0.23 0.00 -0.15 0.00 0.00 55.06 56.93 1tqj s HIS 92 Cb -0.02 -2.79 0.23 0.00 1.11 0.00 0.00 32.58 31.10 1tqj s HIS 92 CO 0.07 0.17 1.30 -0.39 -0.85 0.00 0.00 174.74 175.04 1tqj h VAL 93 N 2.45 0.00 -4.05 -0.90 -1.51 -1.74 -3.34 116.25 107.15 1tqj h VAL 93 Ca -0.48 -0.83 -0.54 0.00 -1.23 0.00 0.00 66.70 63.63 1tqj h VAL 93 Cb 1.19 1.50 0.12 0.00 -2.13 0.00 0.00 31.29 31.97 1tqj h VAL 93 CO 0.64 0.00 0.55 -1.61 -1.23 0.00 0.00 177.57 175.93 1tqj s GLU 94 N -3.26 3.18 0.28 5.19 8.01 -1.26 -4.64 118.70 126.21 1tqj s GLU 94 Ca 0.04 2.06 0.26 0.00 0.01 0.00 0.00 54.97 57.33 1tqj s GLU 94 Cb 0.10 -2.20 0.92 0.00 -4.31 0.00 0.00 34.13 28.64 1tqj s GLU 94 CO 0.73 -1.10 1.76 0.45 0.01 0.00 0.00 175.26 177.11 1tqj h HIS 95 N 1.40 0.00 0.00 1.61 3.86 -1.93 -0.49 115.15 119.61 1tqj h HIS 95 Ca -0.51 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 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 0.47 0.00 0.00 0.27 0.86 0.00 0.00 177.93 179.53 1tqj n ASN 96 N -2.40 0.11 -0.03 2.45 2.04 -1.26 -3.90 115.26 112.28 1tqj n ASN 96 Ca 0.03 0.52 -0.03 0.00 -0.44 0.00 0.00 54.58 54.66 1tqj n ASN 96 Cb 0.33 -0.55 -0.01 0.00 -2.53 0.00 0.00 39.78 37.02 1tqj n ASN 96 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1tqj n ALA 97 N -1.54 0.78 -3.66 -2.53 0.00 -0.36 -4.49 120.51 108.70 1tqj n ALA 97 Ca 0.05 -0.39 -0.39 0.00 0.00 0.00 0.00 53.44 52.71 1tqj n ALA 97 Cb 0.28 0.03 -0.10 0.00 0.00 0.00 0.00 19.45 19.65 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 -4.85 5.48 0.33 0.00 0.01 -0.34 -2.91 113.70 111.43 1tqj s SER 98 Ca -0.09 -1.97 0.05 0.00 1.31 0.00 0.00 55.95 55.24 1tqj s SER 98 Cb 0.01 -1.92 0.70 0.00 0.21 0.00 0.00 66.02 65.02 1tqj s SER 98 CO 0.14 -0.62 1.87 1.55 0.41 0.00 0.00 173.24 176.59 1tqj h PRO 99 N 8.25 0.81 -1.59 12.44 0.13 -1.82 -3.37 132.00 146.85 1tqj h PRO 99 Ca -0.17 -0.05 -0.48 0.00 -0.87 0.00 0.00 66.00 64.43 1tqj h PRO 99 Cb 1.06 -0.18 -0.34 0.00 0.13 0.00 0.00 31.00 31.67 1tqj h PRO 99 CO 0.78 0.53 -1.00 -2.39 -0.23 0.00 0.00 178.00 175.70 1tqj n HIS 100 N -4.57 -0.87 -0.26 1.56 1.44 -1.26 -4.98 115.22 106.28 1tqj n HIS 100 Ca 0.17 -3.25 0.05 0.00 -2.01 0.00 0.00 57.72 52.69 1tqj n HIS 100 Cb 0.39 0.04 0.19 0.00 0.12 0.00 0.00 29.99 30.72 1tqj n HIS 100 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1tqj h LEU 101 N 3.79 0.31 -0.83 2.39 5.85 -1.93 -2.43 115.31 122.46 1tqj h LEU 101 Ca 0.03 0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1tqj h LEU 101 Cb 0.93 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 1tqj h LEU 101 CO 0.43 0.12 0.48 -0.74 -0.34 0.00 0.00 178.44 178.40 1tqj h HIS 102 N 0.47 1.12 -0.23 1.25 2.76 -1.98 -1.01 115.15 117.52 1tqj h HIS 102 Ca 0.41 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.56 1tqj h HIS 102 Cb 0.61 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 1tqj h HIS 102 CO -0.15 0.76 0.13 0.00 -1.30 0.00 0.00 177.93 177.37 1tqj h ARG 103 N 1.15 0.32 -0.48 5.26 -0.00 -1.88 -1.49 114.38 117.26 1tqj h ARG 103 Ca 0.30 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.98 59.72 1tqj h ARG 103 Cb -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 29.97 29.87 1tqj h ARG 103 CO -0.05 0.29 0.23 1.15 0.00 0.00 0.00 179.97 181.59 1tqj h THR 104 N 0.27 1.19 -0.78 2.04 2.02 -1.01 0.28 112.91 116.93 1tqj h THR 104 Ca 0.08 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1tqj h THR 104 Cb 0.06 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1tqj h THR 104 CO -0.01 0.21 0.46 -0.07 0.37 0.00 0.00 175.52 176.48 1tqj h LEU 105 N 0.63 0.93 -0.83 2.58 3.38 -1.09 -1.81 115.31 119.10 1tqj h LEU 105 Ca 0.16 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 1tqj h LEU 105 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1tqj h LEU 105 CO -0.02 0.73 -0.19 0.00 0.09 0.00 0.00 178.44 179.05 1tqj h GLN 107 N 0.60 0.20 -0.52 0.00 4.15 0.13 -0.03 115.11 119.64 1tqj h GLN 107 Ca 0.09 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 1tqj h GLN 107 Cb 0.65 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 1tqj h GLN 107 CO 0.05 0.13 0.04 0.82 -1.93 0.00 0.00 178.83 177.94 1tqj h ILE 108 N 0.21 1.26 -0.10 2.39 2.04 -1.22 -2.78 117.51 119.31 1tqj h ILE 108 Ca 0.21 -1.03 -0.08 0.00 1.00 0.00 0.00 64.86 64.95 1tqj h ILE 108 Cb 0.26 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1tqj h ILE 108 CO -0.27 0.37 -0.32 0.03 0.00 0.00 0.00 178.15 177.95 1tqj h ARG 109 N 0.77 0.18 0.00 2.37 3.08 -1.07 -2.39 114.38 117.31 1tqj h ARG 109 Ca 0.15 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1tqj h ARG 109 Cb 0.47 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1tqj h ARG 109 CO 0.02 0.49 -0.14 0.93 -1.07 0.00 0.00 179.97 180.20 1tqj h GLU 110 N 0.16 0.00 -0.11 0.04 5.08 -0.76 -1.07 114.58 117.92 1tqj h GLU 110 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1tqj h GLU 110 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1tqj h GLU 110 CO 0.05 0.14 0.00 1.28 -1.00 0.00 0.00 179.01 179.48 1tqj n LEU 111 N -3.67 1.22 -0.09 1.33 4.77 -0.94 -4.90 117.00 114.72 1tqj n LEU 111 Ca -0.02 -0.50 -0.01 0.00 -0.03 0.00 0.00 56.01 55.45 1tqj n LEU 111 Cb 0.26 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1tqj n LEU 111 CO 0.31 0.25 -0.01 0.61 -1.33 0.00 0.00 177.39 177.22 1tqj n GLY 112 N 1.05 0.47 3.83 -0.72 0.00 -0.41 -5.06 105.19 104.36 1tqj n GLY 112 Ca 0.16 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.96 2.39 -0.13 1.61 -0.14 -1.00 -5.02 119.74 115.48 1tqj s LYS 113 Ca 0.00 -1.71 -0.17 0.00 -1.36 0.00 0.00 55.97 52.73 1tqj s LYS 113 Cb 0.00 -2.20 -0.04 0.00 -1.68 0.00 0.00 37.83 33.91 1tqj s LYS 113 CO 0.00 -0.22 0.42 0.15 -0.76 0.00 0.00 175.35 174.94 1tqj s LYS 114 N -4.07 4.31 -0.15 1.68 -0.14 -0.55 -3.89 119.74 116.94 1tqj s LYS 114 Ca 0.44 0.34 -0.12 0.00 -1.36 0.00 0.00 55.97 55.27 1tqj s LYS 114 Cb -0.01 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.67 1tqj s LYS 114 CO 0.25 0.19 0.25 0.00 -0.76 0.00 0.00 175.35 175.28 1tqj s ALA 115 N 0.55 3.66 0.02 5.17 0.00 -1.26 -0.93 121.76 128.97 1tqj s ALA 115 Ca 0.23 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.75 1tqj s ALA 115 Cb -0.14 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 1tqj s ALA 115 CO 0.08 0.22 -0.15 0.20 0.00 0.00 0.00 175.76 176.11 1tqj s GLY 116 N 0.09 1.62 -0.05 0.00 0.00 -0.38 -0.70 107.32 107.89 1tqj s GLY 116 Ca 0.15 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 43.77 1tqj s GLY 116 CO 0.04 -1.01 -0.11 0.00 0.00 0.00 0.00 173.10 172.02 1tqj s ALA 117 N -0.93 2.82 -0.05 3.20 0.00 -0.68 -0.86 121.76 125.26 1tqj s ALA 117 Ca 0.15 -0.96 0.04 0.00 0.00 0.00 0.00 51.96 51.19 1tqj s ALA 117 Cb -0.11 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 21.94 1tqj s ALA 117 CO 0.06 0.57 -0.15 0.08 0.00 0.00 0.00 175.76 176.31 1tqj s VAL 118 N -0.80 1.31 -0.16 0.00 1.01 0.00 -0.90 120.40 120.87 1tqj s VAL 118 Ca 0.12 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 1tqj s VAL 118 Cb -0.11 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 1tqj s VAL 118 CO 0.02 0.39 -0.11 -0.76 0.00 0.00 0.00 175.10 174.64 1tqj s LEU 119 N 0.20 2.77 0.85 3.92 1.02 -0.38 -1.88 118.68 125.18 1tqj s LEU 119 Ca -0.07 -0.34 -0.10 0.00 0.02 0.00 0.00 54.13 53.64 1tqj s LEU 119 Cb -0.12 -1.65 0.10 0.00 0.02 0.00 0.00 46.19 44.54 1tqj s LEU 119 CO 0.03 0.11 1.11 0.20 0.02 0.00 0.00 176.35 177.82 1tqj s ASN 120 N 0.66 3.67 0.29 2.29 0.01 -1.26 -2.20 114.94 118.40 1tqj s ASN 120 Ca -0.06 1.95 0.04 0.00 -0.71 0.00 0.00 52.86 54.09 1tqj s ASN 120 Cb -0.15 -2.52 0.74 0.00 0.41 0.00 0.00 41.25 39.73 1tqj s ASN 120 CO 0.02 -2.59 1.72 -0.65 -1.51 0.00 0.00 177.10 174.09 1tqj h PRO 121 N -1.51 0.47 0.00 -0.60 0.11 -1.85 -1.22 132.00 127.40 1tqj h PRO 121 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1tqj h PRO 121 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1tqj h PRO 121 CO 0.47 0.31 0.00 0.66 -0.21 0.00 0.00 178.00 179.23 1tqj h SER 122 N 0.48 0.00 -3.29 -2.05 4.64 -1.92 -3.47 113.55 107.95 1tqj h SER 122 Ca 0.57 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.35 1tqj h SER 122 Cb 1.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1tqj h SER 122 CO -0.49 0.00 0.48 -0.89 -0.87 0.00 0.00 176.83 175.06 1tqj s THR 123 N -3.26 4.47 0.67 2.95 2.01 -0.46 -5.01 115.64 117.01 1tqj s THR 123 Ca 0.07 1.77 -0.11 0.00 0.31 0.00 0.00 61.69 63.74 1tqj s THR 123 Cb 0.09 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.47 1tqj s THR 123 CO 0.56 0.13 1.06 -2.16 -0.69 0.00 0.00 174.62 173.51 1tqj s PRO 124 N 1.13 3.03 0.08 4.92 0.04 -1.26 -4.84 135.00 138.10 1tqj s PRO 124 Ca 0.55 0.48 0.23 0.00 0.04 0.00 0.00 61.00 62.30 1tqj s PRO 124 Cb -0.25 -2.06 0.92 0.00 0.04 0.00 0.00 34.50 33.15 1tqj s PRO 124 CO 0.28 -0.90 1.72 1.28 0.04 0.00 0.00 177.00 179.42 1tqj n LEU 125 N -2.91 0.25 0.30 -3.56 4.77 -1.26 -3.05 117.00 111.55 1tqj n LEU 125 Ca 0.06 0.54 0.17 0.00 -0.03 0.00 0.00 56.01 56.76 1tqj n LEU 125 Cb 0.57 -0.48 0.97 0.00 -2.33 0.00 0.00 43.42 42.15 1tqj n LEU 125 CO 0.57 -0.21 1.12 -2.24 -1.33 0.00 0.00 177.39 175.30 1tqj h ASP 126 N 0.00 0.00 0.28 -1.43 3.04 -2.02 -0.68 116.42 115.61 1tqj h ASP 126 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1tqj h ASP 126 Cb 0.44 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.73 1tqj h ASP 126 CO 0.00 0.02 0.00 -0.26 -2.04 0.00 0.00 179.24 176.96 1tqj h PHE 127 N 0.00 0.00 -0.17 4.15 -1.00 -1.95 -2.24 116.94 115.73 1tqj h PHE 127 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1tqj h PHE 127 Cb 0.06 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.62 1tqj h PHE 127 CO 0.00 0.00 0.00 1.28 -1.61 0.00 0.00 178.31 177.98 1tqj n LEU 128 N -2.43 2.69 0.27 1.54 4.77 -0.26 -4.70 117.00 118.87 1tqj n LEU 128 Ca -0.01 -1.29 0.13 0.00 -0.03 0.00 0.00 56.01 54.82 1tqj n LEU 128 Cb 0.11 -0.10 0.82 0.00 -2.33 0.00 0.00 43.42 41.92 1tqj n LEU 128 CO 0.15 0.55 1.11 -0.33 -1.33 0.00 0.00 177.39 177.54 1tqj h GLU 129 N 3.24 0.00 -0.02 3.23 4.39 -1.45 -2.85 114.58 121.13 1tqj h GLU 129 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1tqj h GLU 129 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 1tqj h GLU 129 CO 0.00 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.51 1tqj n TYR 130 N -4.07 0.01 0.07 4.33 4.02 -1.26 -4.68 117.16 115.58 1tqj n TYR 130 Ca -0.02 -0.03 0.01 0.00 -0.01 0.00 0.00 57.90 57.85 1tqj n TYR 130 Cb 0.12 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.44 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 0.31 0.00 -0.25 -0.72 0.24 -1.08 -4.78 118.33 112.05 1tqj n VAL 131 Ca 0.04 -0.49 0.06 0.00 -2.04 0.00 0.00 64.34 61.91 1tqj n VAL 131 Cb 0.16 1.03 0.31 0.00 -1.47 0.00 0.00 33.84 33.87 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 0.29 0.76 -2.00 1.34 3.38 -1.82 -0.86 115.31 116.39 1tqj h LEU 132 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1tqj h LEU 132 Cb 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1tqj h LEU 132 CO 0.00 0.47 0.00 -0.65 0.09 0.00 0.00 178.44 178.35 1tqj h PRO 133 N 0.85 0.00 -0.33 1.13 0.11 -1.92 -1.55 132.00 130.29 1tqj h PRO 133 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1tqj h PRO 133 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1tqj h PRO 133 CO -0.14 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.98 1tqj n VAL 134 N -2.64 1.59 -3.52 3.15 0.24 -0.35 -4.90 118.33 111.90 1tqj n VAL 134 Ca -0.02 -1.37 -0.40 0.00 -2.04 0.00 0.00 64.34 60.51 1tqj n VAL 134 Cb 0.08 0.17 -0.10 0.00 -1.47 0.00 0.00 33.84 32.51 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 8.45 0.00 -4.29 0.00 3.32 -1.21 -3.43 116.42 119.26 1tqj h ASP 136 Ca -0.32 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.61 1tqj h ASP 136 Cb 1.16 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.49 1tqj h ASP 136 CO 0.62 0.46 -0.24 -0.22 -1.72 0.00 0.00 179.24 178.14 1tqj s LEU 137 N -6.58 0.57 -0.11 1.55 0.20 -1.01 -1.83 118.68 111.46 1tqj s LEU 137 Ca 0.03 0.56 0.03 0.00 0.69 0.00 0.00 54.13 55.44 1tqj s LEU 137 Cb 0.08 1.37 0.01 0.00 -0.43 0.00 0.00 46.19 47.22 1tqj s LEU 137 CO 0.73 -0.26 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.68 1tqj s ILE 138 N -0.35 1.92 -0.30 6.68 -1.09 0.12 -1.69 121.20 126.49 1tqj s ILE 138 Ca -0.05 -0.92 -0.07 0.00 -2.23 0.00 0.00 60.65 57.38 1tqj s ILE 138 Cb -0.03 -1.68 0.01 0.00 -1.58 0.00 0.00 42.46 39.17 1tqj s ILE 138 CO 0.02 0.53 0.09 -0.22 -1.23 0.00 0.00 174.94 174.13 1tqj s LEU 139 N 0.56 3.88 -0.49 2.97 2.96 -0.08 -0.28 118.68 128.20 1tqj s LEU 139 Ca -0.14 -0.67 -0.20 0.00 -0.22 0.00 0.00 54.13 52.90 1tqj s LEU 139 Cb -0.17 -1.90 0.04 0.00 0.50 0.00 0.00 46.19 44.66 1tqj s LEU 139 CO 0.05 -0.19 0.67 -0.63 -1.32 0.00 0.00 176.35 174.92 1tqj s ILE 140 N 1.52 4.80 0.18 6.68 -1.09 0.29 -1.25 121.20 132.34 1tqj s ILE 140 Ca 0.03 -0.19 -0.30 0.00 -2.23 0.00 0.00 60.65 57.96 1tqj s ILE 140 Cb -0.17 -4.29 -0.08 0.00 -1.58 0.00 0.00 42.46 36.34 1tqj s ILE 140 CO 0.03 -0.76 1.27 -0.04 -1.23 0.00 0.00 174.94 174.21 1tqj s MET 141 N 2.85 4.42 0.00 2.79 -1.94 -0.94 -2.52 119.30 123.96 1tqj s MET 141 Ca 0.19 1.98 0.02 0.00 -1.71 0.00 0.00 55.69 56.18 1tqj s MET 141 Cb -0.17 -3.22 0.05 0.00 2.01 0.00 0.00 34.83 33.50 1tqj s MET 141 CO 0.15 -0.21 0.91 -1.13 -0.01 0.00 0.00 175.02 174.73 1tqj n SER 142 N 2.74 1.88 -4.14 3.03 3.41 -0.23 -3.93 113.62 116.39 1tqj n SER 142 Ca 0.06 -1.73 -0.10 0.00 -0.26 0.00 0.00 58.87 56.83 1tqj n SER 142 Cb 0.44 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.76 0.07 -0.37 -3.33 -7.23 -1.24 -0.68 120.40 106.86 1tqj s VAL 143 Ca 0.04 -1.86 0.22 0.00 -1.81 0.00 0.00 61.98 58.56 1tqj s VAL 143 Cb 0.02 -2.13 -0.30 0.00 0.56 0.00 0.00 36.38 34.53 1tqj s VAL 143 CO 0.03 -0.33 0.63 0.59 -0.31 0.00 0.00 175.10 175.71 1tqj n ASN 144 N -0.16 0.36 0.00 4.85 3.02 -1.26 -4.72 115.26 117.36 1tqj n ASN 144 Ca -0.04 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.16 1tqj n ASN 144 Cb 0.64 1.64 0.00 0.00 -0.61 0.00 0.00 39.78 41.46 1tqj n ASN 144 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 1tqj n GLN 150 N -1.99 0.00 -4.05 3.52 7.27 -1.26 -5.13 117.38 115.74 1tqj n GLN 150 Ca -0.01 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.74 1tqj n GLN 150 Cb 0.48 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.07 1tqj n GLN 150 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1tqj s SER 151 N 0.00 5.78 0.04 1.69 1.04 -1.26 -4.04 113.70 116.94 1tqj s SER 151 Ca 0.00 0.13 -0.36 0.00 0.48 0.00 0.00 55.95 56.20 1tqj s SER 151 Cb 0.00 -1.66 -0.15 0.00 0.10 0.00 0.00 66.02 64.31 1tqj s SER 151 CO 0.00 0.23 1.53 0.33 0.98 0.00 0.00 173.24 176.31 1tqj n PHE 152 N 0.86 1.92 -2.79 5.02 7.35 -1.26 -4.72 117.46 123.84 1tqj n PHE 152 Ca -0.11 0.44 -0.43 0.00 -0.76 0.00 0.00 57.45 56.59 1tqj n PHE 152 Cb 0.52 -2.45 -0.04 0.00 0.35 0.00 0.00 39.48 37.86 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 1.46 4.51 0.49 -2.13 1.01 0.15 -4.94 121.20 121.75 1tqj s ILE 153 Ca 0.86 1.05 0.24 0.00 0.00 0.00 0.00 60.65 62.79 1tqj s ILE 153 Cb -0.86 -4.39 0.28 0.00 0.01 0.00 0.00 42.46 37.51 1tqj s ILE 153 CO 0.47 -0.68 2.12 -0.65 0.00 0.00 0.00 174.94 176.21 1tqj h PRO 154 N 8.74 0.00 0.00 2.79 0.11 -1.91 -2.59 132.00 139.15 1tqj h PRO 154 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 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 1.01 0.08 0.00 0.93 -0.21 0.00 0.00 178.00 179.81 1tqj h GLU 155 N 0.00 0.00 0.00 1.05 3.07 -1.98 -2.30 114.58 114.42 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 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.10 1tqj h GLU 155 CO 0.01 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 178.95 1tqj n VAL 156 N -2.43 0.31 -0.01 3.13 0.24 -0.97 -3.99 118.33 114.61 1tqj n VAL 156 Ca 0.01 0.08 -0.11 0.00 -2.04 0.00 0.00 64.34 62.28 1tqj n VAL 156 Cb 0.19 -0.66 -0.05 0.00 -1.47 0.00 0.00 33.84 31.85 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 0.00 0.14 -1.86 1.34 3.38 -1.64 -1.53 115.31 115.14 1tqj h LEU 157 Ca 0.00 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 57.97 1tqj h LEU 157 Cb 0.42 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1tqj h LEU 157 CO 0.00 0.16 0.22 -0.65 0.09 0.00 0.00 178.44 178.26 1tqj h PRO 158 N 0.11 0.16 -0.65 1.13 0.11 -1.81 -1.72 132.00 129.34 1tqj h PRO 158 Ca 0.04 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 1tqj h PRO 158 Cb 0.05 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.09 1tqj h PRO 158 CO -0.01 0.11 0.27 -0.22 -0.21 0.00 0.00 178.00 177.94 1tqj h LYS 159 N 0.17 0.96 -0.36 1.05 3.64 -1.45 -0.74 116.57 119.84 1tqj h LYS 159 Ca 0.14 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1tqj h LYS 159 Cb 0.35 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1tqj h LYS 159 CO -0.02 0.80 -0.21 0.82 -2.27 0.00 0.00 179.45 178.57 1tqj h ILE 160 N 0.91 1.29 -0.69 2.00 2.04 -0.82 -0.79 117.51 121.45 1tqj h ILE 160 Ca 0.22 -1.35 -0.00 0.00 1.00 0.00 0.00 64.86 64.73 1tqj h ILE 160 Cb 0.19 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1tqj h ILE 160 CO -0.02 0.44 0.42 0.03 0.00 0.00 0.00 178.15 179.03 1tqj h ARG 161 N 0.57 0.93 -0.31 2.37 3.08 -1.12 -1.38 114.38 118.51 1tqj h ARG 161 Ca 0.08 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 1tqj h ARG 161 Cb 0.77 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 1tqj h ARG 161 CO 0.06 0.65 -0.34 0.00 -1.07 0.00 0.00 179.97 179.28 1tqj h ALA 162 N 1.22 0.83 -0.49 0.04 0.00 -1.04 -2.22 119.26 117.61 1tqj h ALA 162 Ca 0.25 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1tqj h ALA 162 Cb -0.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1tqj h ALA 162 CO -0.05 0.64 0.28 1.25 0.00 0.00 0.00 179.25 181.37 1tqj h LEU 163 N 0.57 0.60 -0.91 0.00 5.85 -0.82 -0.51 115.31 120.09 1tqj h LEU 163 Ca 0.06 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1tqj h LEU 163 Cb 0.85 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1tqj h LEU 163 CO 0.07 0.51 0.60 -0.09 -0.34 0.00 0.00 178.44 179.19 1tqj h ARG 164 N 0.65 1.17 -0.47 1.25 9.65 -1.07 -1.76 114.38 123.80 1tqj h ARG 164 Ca 0.17 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.98 1tqj h ARG 164 Cb 0.03 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.33 1tqj h ARG 164 CO -0.03 0.77 0.27 0.37 2.80 0.00 0.00 179.97 184.15 1tqj h GLN 165 N 1.20 0.65 -0.68 0.20 4.15 -0.98 -0.14 115.11 119.52 1tqj h GLN 165 Ca 0.35 -0.07 0.05 0.00 0.77 0.00 0.00 58.65 59.75 1tqj h GLN 165 Cb -0.09 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.42 1tqj h GLN 165 CO -0.09 0.49 0.40 0.52 -1.93 0.00 0.00 178.83 178.22 1tqj h MET 166 N 0.62 0.72 -0.38 1.69 2.86 -0.56 -0.99 114.93 118.89 1tqj h MET 166 Ca 0.17 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1tqj h MET 166 Cb 0.03 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1tqj h MET 166 CO -0.03 0.48 0.10 0.00 1.06 0.00 0.00 176.91 178.52 1tqj h ASP 168 N 0.47 0.52 -0.42 0.00 3.32 -0.58 -0.70 116.42 119.03 1tqj h ASP 168 Ca 0.12 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.21 1tqj h ASP 168 Cb 0.30 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1tqj h ASP 168 CO 0.00 0.37 0.28 -0.33 -1.72 0.00 0.00 179.24 177.84 1tqj h GLU 169 N 0.63 0.40 -0.02 3.56 5.08 -1.10 -2.37 114.58 120.76 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 -0.01 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1tqj h GLU 169 CO -0.08 0.26 -0.05 0.54 -1.00 0.00 0.00 179.01 178.68 1tqj n ARG 170 N -4.48 1.86 -2.60 2.33 1.74 -1.01 -4.96 116.66 109.54 1tqj n ARG 170 Ca 0.05 -1.36 -0.16 0.00 -0.77 0.00 0.00 57.85 55.61 1tqj n ARG 170 Cb 0.19 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 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 1.28 -0.21 3.73 -0.13 0.00 -0.83 -5.03 105.19 104.01 1tqj n GLY 171 Ca 0.16 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.68 3.55 -0.35 0.99 1.43 -0.33 -5.03 118.68 114.25 1tqj s LEU 172 Ca 0.13 -0.32 0.14 0.00 -1.03 0.00 0.00 54.13 53.06 1tqj s LEU 172 Cb -0.06 -2.15 0.41 0.00 0.03 0.00 0.00 46.19 44.42 1tqj s LEU 172 CO 0.16 0.05 0.93 -0.67 0.23 0.00 0.00 176.35 177.04 1tqj n ASP 173 N -0.51 0.64 -4.80 2.29 2.03 -1.26 -4.32 116.55 110.61 1tqj n ASP 173 Ca -0.08 -2.86 -0.31 0.00 0.52 0.00 0.00 54.79 52.06 1tqj n ASP 173 Cb 0.56 -0.24 0.07 0.00 -0.72 0.00 0.00 41.12 40.79 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 -2.32 2.64 0.23 -0.67 0.04 -1.26 -4.98 135.00 128.69 1tqj s PRO 174 Ca 0.31 0.95 -0.32 0.00 0.04 0.00 0.00 61.00 61.99 1tqj s PRO 174 Cb 0.40 -1.96 -0.13 0.00 0.04 0.00 0.00 34.50 32.86 1tqj s PRO 174 CO -0.02 -1.31 1.57 0.91 0.04 0.00 0.00 177.00 178.19 1tqj n TRP 175 N -3.27 2.53 -3.74 0.56 7.02 -0.76 -4.91 117.44 114.87 1tqj n TRP 175 Ca 0.08 0.26 -0.37 0.00 -1.02 0.00 0.00 57.50 56.45 1tqj n TRP 175 Cb 0.54 -2.56 -0.11 0.00 -2.42 0.00 0.00 31.31 26.75 1tqj n TRP 175 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 1tqj s ILE 176 N 0.40 3.51 -0.01 -0.99 1.01 -1.26 -0.70 121.20 123.15 1tqj s ILE 176 Ca 0.70 -1.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.48 1tqj s ILE 176 Cb -0.58 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1tqj s ILE 176 CO 0.43 -0.59 0.22 -0.70 0.00 0.00 0.00 174.94 174.31 1tqj s GLU 177 N 1.23 3.51 -0.02 2.79 2.12 0.61 -1.20 118.70 127.75 1tqj s GLU 177 Ca 0.05 -0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.25 1tqj s GLU 177 Cb -0.23 -3.10 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 1tqj s GLU 177 CO -0.02 0.67 -0.13 0.08 -0.54 0.00 0.00 175.26 175.32 1tqj s VAL 178 N -1.28 1.05 -0.10 3.70 1.01 -0.65 -0.55 120.40 123.58 1tqj s VAL 178 Ca 0.26 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.65 1tqj s VAL 178 Cb -0.13 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.41 1tqj s VAL 178 CO 0.16 0.30 0.07 -0.62 0.00 0.00 0.00 175.10 175.01 1tqj s ASP 179 N -0.21 1.76 0.00 3.32 2.15 -1.05 -1.52 116.67 121.11 1tqj s ASP 179 Ca 0.03 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 52.75 1tqj s ASP 179 Cb -0.06 -0.22 0.00 0.00 -0.30 0.00 0.00 42.92 42.34 1tqj s ASP 179 CO -0.00 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.32 1tqj n GLY 180 N 5.27 1.92 2.20 2.66 0.00 -1.26 -1.07 105.19 114.91 1tqj n GLY 180 Ca -0.05 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 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 0.64 3.82 -0.02 0.00 -1.26 -4.20 105.19 104.19 1tqj n GLY 181 Ca 0.00 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.99 4.35 0.26 0.99 1.43 -1.26 -4.39 118.68 118.07 1tqj s LEU 182 Ca 0.00 0.51 -0.08 0.00 -1.03 0.00 0.00 54.13 53.53 1tqj s LEU 182 Cb 0.00 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 44.01 1tqj s LEU 182 CO 0.00 0.31 0.40 -1.59 0.23 0.00 0.00 176.35 175.70 1tqj s LYS 183 N -0.58 1.54 0.44 1.70 -2.85 -1.26 -4.61 119.74 114.12 1tqj s LYS 183 Ca 0.15 -1.44 0.16 0.00 -1.00 0.00 0.00 55.97 53.84 1tqj s LYS 183 Cb -0.13 0.42 1.09 0.00 -2.06 0.00 0.00 37.83 37.15 1tqj s LYS 183 CO 0.04 -0.62 1.96 -1.35 0.10 0.00 0.00 175.35 175.49 1tqj h PRO 184 N 2.31 0.35 0.00 1.78 0.11 -1.86 -1.59 132.00 133.09 1tqj h PRO 184 Ca -0.29 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.67 1tqj h PRO 184 Cb 1.25 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1tqj h PRO 184 CO 0.40 0.23 -0.65 -2.95 -0.21 0.00 0.00 178.00 174.82 1tqj h ASN 185 N 0.36 0.00 -0.00 -2.05 -1.07 -1.96 -3.36 115.58 107.49 1tqj h ASN 185 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.68 1tqj h ASN 185 Cb 0.72 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.97 1tqj h ASN 185 CO -0.08 0.65 -0.05 -0.46 0.07 0.00 0.00 177.43 177.56 1tqj n ASN 186 N -3.54 0.66 0.23 6.14 6.94 -1.08 -4.70 115.26 119.91 1tqj n ASN 186 Ca -0.00 -0.83 0.07 0.00 -0.02 0.00 0.00 54.58 53.80 1tqj n ASN 186 Cb 0.69 0.49 0.55 0.00 -2.36 0.00 0.00 39.78 39.16 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 0.24 1.01 -1.00 5.53 2.02 -1.45 -2.10 112.91 117.16 1tqj h THR 187 Ca 0.00 -0.61 0.28 0.00 0.77 0.00 0.00 66.41 66.85 1tqj h THR 187 Cb 0.07 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1tqj h THR 187 CO 0.00 0.17 0.71 4.11 0.37 0.00 0.00 175.52 180.88 1tqj h TRP 188 N 0.00 0.10 -0.42 3.16 5.08 -1.84 -1.43 115.95 120.60 1tqj h TRP 188 Ca -0.00 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.96 1tqj h TRP 188 Cb 0.33 -0.03 -0.02 0.00 -3.00 0.00 0.00 29.16 26.44 1tqj h TRP 188 CO 0.00 0.02 0.22 1.96 -1.28 0.00 0.00 178.44 179.36 1tqj h GLN 189 N 0.06 0.60 0.01 0.12 4.20 -1.74 0.13 115.11 118.49 1tqj h GLN 189 Ca 0.49 -0.08 -0.22 0.00 0.06 0.00 0.00 58.65 58.90 1tqj h GLN 189 Cb 1.83 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.47 1tqj h GLN 189 CO -0.04 0.49 -1.02 -0.39 -0.67 0.00 0.00 178.83 177.20 1tqj h VAL 190 N 0.54 1.69 -0.24 -0.54 -1.51 -1.47 -2.93 116.25 111.79 1tqj h VAL 190 Ca 0.15 -3.37 0.02 0.00 -1.23 0.00 0.00 66.70 62.26 1tqj h VAL 190 Cb 0.08 2.85 -0.02 0.00 -2.13 0.00 0.00 31.29 32.07 1tqj h VAL 190 CO -0.02 0.97 0.12 -0.07 -1.23 0.00 0.00 177.57 177.33 1tqj h LEU 191 N 0.01 0.18 -1.53 4.19 3.38 -1.17 0.46 115.31 120.83 1tqj h LEU 191 Ca -0.02 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1tqj h LEU 191 Cb 1.78 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.50 1tqj h LEU 191 CO 0.14 0.14 -0.04 -0.33 0.09 0.00 0.00 178.44 178.43 1tqj h GLU 192 N 0.26 0.25 0.00 1.13 5.08 -0.78 -2.14 114.58 118.38 1tqj h GLU 192 Ca 0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1tqj h GLU 192 Cb 0.03 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1tqj h GLU 192 CO -0.07 0.31 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 1tqj h ALA 193 N 1.72 1.00 0.00 3.43 0.00 -1.28 -3.47 119.26 120.67 1tqj h ALA 193 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1tqj h ALA 193 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 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 0.71 0.66 3.77 0.00 0.00 -0.78 -3.59 105.19 105.97 1tqj n GLY 194 Ca 0.03 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 -1.49 2.92 0.00 4.61 0.00 0.08 -4.83 121.76 123.06 1tqj s ALA 195 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1tqj s ALA 195 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1tqj s ALA 195 CO 0.00 -0.63 0.52 0.27 0.00 0.00 0.00 175.76 175.91 1tqj n ASN 196 N -0.63 0.55 -3.71 0.00 0.23 -0.34 -4.43 115.26 106.93 1tqj n ASN 196 Ca 0.08 -1.23 -0.25 0.00 -0.53 0.00 0.00 54.58 52.65 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 -0.23 0.68 -0.23 -2.53 0.00 -0.82 -0.78 121.76 117.85 1tqj s ALA 197 Ca 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 1tqj s ALA 197 Cb 0.00 -0.95 -0.00 0.00 0.00 0.00 0.00 23.12 22.17 1tqj s ALA 197 CO 0.00 -0.88 -0.04 0.42 0.00 0.00 0.00 175.76 175.25 1tqj s ILE 198 N 2.00 3.28 -0.11 0.00 -1.09 0.16 -1.64 121.20 123.79 1tqj s ILE 198 Ca 0.02 -0.60 -0.18 0.00 -2.23 0.00 0.00 60.65 57.67 1tqj s ILE 198 Cb -0.15 -2.53 -0.04 0.00 -1.58 0.00 0.00 42.46 38.16 1tqj s ILE 198 CO -0.07 0.38 0.47 -0.69 -1.23 0.00 0.00 174.94 173.80 1tqj s VAL 199 N 1.45 5.18 -0.01 2.92 1.01 -0.58 -0.58 120.40 129.80 1tqj s VAL 199 Ca 0.05 0.95 0.01 0.00 0.00 0.00 0.00 61.98 62.99 1tqj s VAL 199 Cb -0.15 -3.81 -0.00 0.00 0.00 0.00 0.00 36.38 32.42 1tqj s VAL 199 CO -0.04 0.34 -0.05 0.00 0.00 0.00 0.00 175.10 175.35 1tqj s ALA 200 N 0.55 0.41 0.00 5.51 0.00 -1.21 -4.41 121.76 122.61 1tqj s ALA 200 Ca 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1tqj s ALA 200 Cb -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1tqj s ALA 200 CO 0.10 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.37 1tqj n GLY 201 N 3.01 0.32 0.37 0.00 0.00 -1.26 -0.44 105.19 107.18 1tqj n GLY 201 Ca -0.13 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 0.79 0.17 1.61 4.64 -1.89 -0.88 113.55 117.99 1tqj h SER 202 Ca 0.00 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 1tqj h SER 202 Cb 0.00 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1tqj h SER 202 CO 0.00 0.37 -0.03 0.00 -0.87 0.00 0.00 176.83 176.30 1tqj h ALA 203 N 1.59 1.27 0.00 5.18 0.00 -1.88 -0.16 119.26 125.25 1tqj h ALA 203 Ca 0.50 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.25 1tqj h ALA 203 Cb 0.70 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1tqj h ALA 203 CO -0.27 0.04 -1.36 0.28 0.00 0.00 0.00 179.25 177.94 1tqj n VAL 204 N -3.52 1.50 0.38 0.00 0.31 -0.55 -4.26 118.33 112.19 1tqj n VAL 204 Ca -0.02 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.44 1tqj n VAL 204 Cb 0.14 -2.22 0.44 0.00 -0.91 0.00 0.00 33.84 31.29 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 -0.01 3.52 0.04 -1.15 -2.09 116.94 116.24 1tqj h PHE 205 Ca -0.21 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.56 1tqj h PHE 205 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1tqj h PHE 205 CO -0.28 0.00 -0.34 0.09 -0.60 0.00 0.00 178.31 177.18 1tqj n ASN 206 N -2.69 1.83 -4.79 2.17 3.02 -0.08 -4.97 115.26 109.76 1tqj n ASN 206 Ca 0.03 -1.40 -0.34 0.00 -0.03 0.00 0.00 54.58 52.84 1tqj n ASN 206 Cb 0.37 0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.83 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 -2.40 2.81 0.14 5.41 0.00 -0.79 -4.94 121.76 121.99 1tqj s ALA 207 Ca 0.22 0.64 0.35 0.00 0.00 0.00 0.00 51.96 53.17 1tqj s ALA 207 Cb 0.19 -3.28 1.45 0.00 0.00 0.00 0.00 23.12 21.48 1tqj s ALA 207 CO 0.51 -0.49 2.01 -1.00 0.00 0.00 0.00 175.76 176.80 1tqj h PRO 208 N 1.34 0.00 -2.74 0.00 0.13 -1.93 -3.41 132.00 125.39 1tqj h PRO 208 Ca -0.49 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.32 1tqj h PRO 208 Cb 1.23 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.00 1tqj h PRO 208 CO 0.58 0.00 -0.63 1.21 -0.23 0.00 0.00 178.00 178.93 1tqj s ASN 209 N -5.65 1.26 0.19 1.44 3.84 -1.26 -5.05 114.94 109.70 1tqj s ASN 209 Ca 0.01 -0.07 -0.10 0.00 0.21 0.00 0.00 52.86 52.91 1tqj s ASN 209 Cb 0.09 0.32 0.11 0.00 -0.55 0.00 0.00 41.25 41.22 1tqj s ASN 209 CO 0.53 -0.30 1.75 1.88 -2.79 0.00 0.00 177.10 178.17 1tqj h TYR 210 N 8.33 1.07 -0.57 0.43 0.05 -1.83 -1.97 116.97 122.47 1tqj h TYR 210 Ca -0.16 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.49 1tqj h TYR 210 Cb 1.14 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 38.54 1tqj h TYR 210 CO 0.22 0.83 0.18 0.00 -1.05 0.00 0.00 178.16 178.35 1tqj h ALA 211 N 1.12 0.75 -0.48 3.88 0.00 -1.92 -0.07 119.26 122.54 1tqj h ALA 211 Ca 0.23 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1tqj h ALA 211 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1tqj h ALA 211 CO -0.02 0.41 -0.22 0.93 0.00 0.00 0.00 179.25 180.36 1tqj h GLU 212 N 0.80 0.99 -0.13 0.00 5.08 -1.84 -1.19 114.58 118.29 1tqj h GLU 212 Ca 0.18 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1tqj h GLU 212 Cb 0.28 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1tqj h GLU 212 CO -0.01 1.10 0.08 0.00 -1.00 0.00 0.00 179.01 179.18 1tqj h ALA 213 N 0.89 0.17 -0.53 3.43 0.00 -1.10 0.14 119.26 122.25 1tqj h ALA 213 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1tqj h ALA 213 Cb 0.79 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1tqj h ALA 213 CO 0.07 -0.30 0.32 0.82 0.00 0.00 0.00 179.25 180.16 1tqj h ILE 214 N 0.13 1.16 -0.65 0.00 2.04 -0.91 -1.58 117.51 117.69 1tqj h ILE 214 Ca 0.05 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 1tqj h ILE 214 Cb 0.06 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1tqj h ILE 214 CO -0.01 0.16 0.12 0.00 0.00 0.00 0.00 178.15 178.42 1tqj h ALA 215 N 1.16 0.97 -0.62 1.87 0.00 -1.13 -1.32 119.26 120.19 1tqj h ALA 215 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tqj h ALA 215 Cb -0.02 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1tqj h ALA 215 CO -0.04 0.65 0.41 0.78 0.00 0.00 0.00 179.25 181.05 1tqj h GLY 216 N 1.05 0.88 0.54 0.00 0.00 -0.30 -0.35 103.07 104.89 1tqj h GLY 216 Ca 0.20 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1tqj h GLY 216 CO 0.01 0.33 -0.06 -2.08 0.00 0.00 0.00 176.54 174.74 1tqj h VAL 217 N 0.85 1.08 -0.85 4.60 2.07 -0.91 -2.57 116.25 120.52 1tqj h VAL 217 Ca 0.23 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.86 1tqj h VAL 217 Cb -0.08 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.29 1tqj h VAL 217 CO -0.05 0.22 0.53 -0.09 0.02 0.00 0.00 177.57 178.20 1tqj h ARG 218 N -0.62 0.92 -0.46 1.57 2.43 -0.96 -2.60 114.38 114.67 1tqj h ARG 218 Ca -0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1tqj h ARG 218 Cb 0.48 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1tqj h ARG 218 CO 0.03 0.61 0.00 0.09 -1.51 0.00 0.00 179.97 179.19 1tqj n ASN 219 N -4.63 4.89 -4.68 -3.80 3.02 -0.17 -5.00 115.26 104.89 1tqj n ASN 219 Ca 0.12 -2.89 -0.45 0.00 -0.03 0.00 0.00 54.58 51.34 1tqj n ASN 219 Cb 0.19 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.72 1tqj n ASN 219 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1tqj n SER 220 N 0.26 3.01 -4.22 6.41 2.88 -0.97 -4.99 113.62 116.00 1tqj n SER 220 Ca 0.25 1.12 -0.18 0.00 -1.33 0.00 0.00 58.87 58.73 1tqj n SER 220 Cb 1.04 -1.45 -0.11 0.00 -0.75 0.00 0.00 64.21 62.93 1tqj n SER 220 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1tqj s LYS 221 N -0.01 0.95 0.21 -1.46 1.02 -1.26 -4.29 119.74 114.90 1tqj s LYS 221 Ca 0.71 -1.15 -0.32 0.00 0.02 0.00 0.00 55.97 55.24 1tqj s LYS 221 Cb -0.64 -0.85 -0.15 0.00 -0.52 0.00 0.00 37.83 35.67 1tqj s LYS 221 CO 0.46 0.17 1.19 -2.13 -0.92 0.00 0.00 175.35 174.12 1tqj n ARG 222 N 0.76 1.38 -1.81 1.68 0.63 -1.26 -4.81 116.66 113.25 1tqj n ARG 222 Ca -0.17 0.49 -0.40 0.00 -0.92 0.00 0.00 57.85 56.85 1tqj n ARG 222 Cb 0.56 -2.00 0.01 0.00 0.45 0.00 0.00 32.46 31.48 1tqj n ARG 222 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1tqj s PRO 223 N -0.57 3.81 0.24 -0.14 0.02 -1.26 -4.94 135.00 132.16 1tqj s PRO 223 Ca 0.70 2.46 -0.30 0.00 0.02 0.00 0.00 61.00 63.87 1tqj s PRO 223 Cb -0.78 -2.75 -0.10 0.00 0.02 0.00 0.00 34.50 30.89 1tqj s PRO 223 CO 0.53 -0.73 1.42 -1.83 -0.33 0.00 0.00 177.00 176.06 1tqj s GLU 224 N -2.35 4.28 0.00 5.54 1.03 -1.26 -5.29 118.70 120.65 1tqj s GLU 224 Ca 0.59 2.27 0.29 0.00 0.03 0.00 0.00 54.97 58.14 1tqj s GLU 224 Cb -0.44 -3.12 1.16 0.00 -0.80 0.00 0.00 34.13 30.93 1tqj s GLU 224 CO 0.58 -0.40 1.81 -2.30 -1.33 0.00 0.00 175.26 173.62