#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 6.47 0.16 4.39 0.01 -1.26 -5.03 114.94 119.68 1tqj s ASN 4 Ca 0.00 0.80 -0.32 0.00 -0.71 0.00 0.00 52.86 52.64 1tqj s ASN 4 Cb 0.00 -2.18 -0.12 0.00 0.41 0.00 0.00 41.25 39.36 1tqj s ASN 4 CO 0.00 -0.22 1.77 -0.38 -1.51 0.00 0.00 177.10 176.76 1tqj n ILE 5 N -0.92 0.18 -3.84 0.60 5.41 -1.26 -4.93 119.36 114.60 1tqj n ILE 5 Ca -0.01 -0.03 -0.37 0.00 1.00 0.00 0.00 62.75 63.34 1tqj n ILE 5 Cb 0.54 -2.02 -0.06 0.00 -0.71 0.00 0.00 39.64 37.38 1tqj n ILE 5 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1tqj s VAL 6 N 1.92 5.48 -0.15 1.39 1.01 -0.10 -5.01 120.40 124.94 1tqj s VAL 6 Ca 0.79 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.99 1tqj s VAL 6 Cb -0.51 -3.42 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1tqj s VAL 6 CO 0.35 0.58 -0.14 -0.69 0.00 0.00 0.00 175.10 175.21 1tqj s VAL 7 N -0.73 2.89 -0.51 2.92 1.01 -1.26 -0.64 120.40 124.08 1tqj s VAL 7 Ca 0.14 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.45 1tqj s VAL 7 Cb -0.12 -2.22 0.14 0.00 0.00 0.00 0.00 36.38 34.18 1tqj s VAL 7 CO 0.03 0.51 0.29 0.00 0.00 0.00 0.00 175.10 175.93 1tqj s ALA 8 N 0.62 2.80 0.32 5.51 0.00 -0.12 -1.46 121.76 129.43 1tqj s ALA 8 Ca -0.08 -3.03 -0.29 0.00 0.00 0.00 0.00 51.96 48.56 1tqj s ALA 8 Cb -0.16 -2.02 -0.11 0.00 0.00 0.00 0.00 23.12 20.84 1tqj s ALA 8 CO 0.03 -2.05 1.49 -2.14 0.00 0.00 0.00 175.76 173.09 1tqj s PRO 9 N -0.17 4.17 -0.48 0.00 0.02 -1.22 -3.44 135.00 133.88 1tqj s PRO 9 Ca 0.19 2.48 -0.26 0.00 0.02 0.00 0.00 61.00 63.44 1tqj s PRO 9 Cb -0.21 -3.02 0.03 0.00 0.02 0.00 0.00 34.50 31.32 1tqj s PRO 9 CO -0.03 -0.51 0.95 0.45 -0.33 0.00 0.00 177.00 177.54 1tqj s SER 10 N 0.13 6.49 0.35 2.53 0.15 -0.03 -1.03 113.70 122.28 1tqj s SER 10 Ca 0.57 0.08 0.25 0.00 0.70 0.00 0.00 55.95 57.55 1tqj s SER 10 Cb -0.45 -2.46 1.25 0.00 -1.71 0.00 0.00 66.02 62.65 1tqj s SER 10 CO 0.53 -1.11 1.76 -0.29 1.20 0.00 0.00 173.24 175.33 1tqj h ILE 11 N 6.09 0.00 -0.31 6.45 6.09 -1.63 -1.88 117.51 132.32 1tqj h ILE 11 Ca -0.24 -0.09 0.09 0.00 -1.37 0.00 0.00 64.86 63.25 1tqj h ILE 11 Cb 1.07 0.72 -0.01 0.00 0.47 0.00 0.00 36.82 39.07 1tqj h ILE 11 CO 1.05 0.00 0.25 -0.07 -3.07 0.00 0.00 178.15 176.31 1tqj h LEU 12 N 0.00 0.00 -1.04 2.19 3.38 -1.92 -0.75 115.31 117.18 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 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1tqj h LEU 12 CO 0.00 0.00 -0.05 -1.20 0.09 0.00 0.00 178.44 177.28 1tqj n SER 13 N -4.19 1.66 -4.92 -0.43 7.64 -0.71 -4.94 113.62 107.74 1tqj n SER 13 Ca 0.05 -1.48 -0.27 0.00 1.01 0.00 0.00 58.87 58.17 1tqj n SER 13 Cb 0.42 0.03 0.08 0.00 -1.01 0.00 0.00 64.21 63.73 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 -2.09 2.94 -0.73 -0.43 0.00 -0.29 -4.76 121.76 116.41 1tqj s ALA 14 Ca 0.34 -0.81 -0.27 0.00 0.00 0.00 0.00 51.96 51.22 1tqj s ALA 14 Cb 0.20 -2.75 0.03 0.00 0.00 0.00 0.00 23.12 20.61 1tqj s ALA 14 CO 0.36 -1.46 1.25 0.34 0.00 0.00 0.00 175.76 176.25 1tqj s ASP 15 N -4.54 6.17 0.00 0.00 3.68 -1.26 -4.89 116.67 115.82 1tqj s ASP 15 Ca 0.61 -0.48 0.14 0.00 2.13 0.00 0.00 52.55 54.96 1tqj s ASP 15 Cb -0.11 -2.55 0.64 0.00 -1.45 0.00 0.00 42.92 39.46 1tqj s ASP 15 CO 0.47 -1.80 1.44 0.49 0.13 0.00 0.00 175.17 175.90 1tqj n PHE 16 N 9.23 0.00 0.40 -5.34 3.01 -1.26 -1.05 117.46 122.45 1tqj n PHE 16 Ca 0.03 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.62 1tqj n PHE 16 Cb 0.49 -0.44 0.47 0.00 -0.01 0.00 0.00 39.48 39.99 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 -0.67 4.37 4.64 -2.04 -3.35 113.55 116.50 1tqj h SER 17 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1tqj h SER 17 Cb 0.22 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 61.96 1tqj h SER 17 CO 0.00 0.00 -1.00 0.54 -0.87 0.00 0.00 176.83 175.50 1tqj n ARG 18 N -2.57 1.28 -0.29 4.77 1.74 -0.21 -4.98 116.66 116.41 1tqj n ARG 18 Ca 0.03 -2.97 -0.02 0.00 -0.77 0.00 0.00 57.85 54.12 1tqj n ARG 18 Cb 0.34 -1.04 0.11 0.00 -1.02 0.00 0.00 32.46 30.84 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 2.66 0.82 -0.33 0.55 5.85 -1.67 -1.94 115.31 121.25 1tqj h LEU 19 Ca -0.16 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.63 1tqj h LEU 19 Cb 1.22 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.02 1tqj h LEU 19 CO 0.31 0.56 -0.02 1.23 -0.34 0.00 0.00 178.44 180.18 1tqj h GLY 20 N 0.97 0.30 1.01 3.75 0.00 -1.93 0.11 103.07 107.28 1tqj h GLY 20 Ca 0.33 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.72 1tqj h GLY 20 CO -0.13 -0.09 0.57 0.83 0.00 0.00 0.00 176.54 177.73 1tqj h GLU 21 N 0.07 1.15 -0.47 4.80 5.08 -1.82 -2.20 114.58 121.18 1tqj h GLU 21 Ca 0.16 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1tqj h GLU 21 Cb 0.22 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1tqj h GLU 21 CO -0.28 0.76 -0.19 0.93 -1.00 0.00 0.00 179.01 179.22 1tqj h GLU 22 N 1.18 0.93 -0.20 2.33 4.39 -0.61 -0.72 114.58 121.88 1tqj h GLU 22 Ca 0.32 -0.38 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 1tqj h GLU 22 Cb -0.13 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1tqj h GLU 22 CO -0.07 1.04 -0.01 0.82 -1.16 0.00 0.00 179.01 179.63 1tqj h ILE 23 N 0.81 1.26 -0.32 3.13 1.08 -0.57 -1.38 117.51 121.53 1tqj h ILE 23 Ca 0.11 -0.91 0.03 0.00 -0.39 0.00 0.00 64.86 63.70 1tqj h ILE 23 Cb 0.75 1.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.93 1tqj h ILE 23 CO 0.06 0.28 0.11 0.50 -0.69 0.00 0.00 178.15 178.41 1tqj h LYS 24 N 0.11 0.25 -0.42 2.37 3.64 -1.35 -1.45 116.57 119.72 1tqj h LYS 24 Ca 0.06 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1tqj h LYS 24 Cb 0.42 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1tqj h LYS 24 CO 0.01 0.16 0.22 0.00 -2.27 0.00 0.00 179.45 177.58 1tqj h ALA 25 N 1.20 0.54 -0.02 5.00 0.00 -1.03 -1.09 119.26 123.85 1tqj h ALA 25 Ca 0.14 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1tqj h ALA 25 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1tqj h ALA 25 CO -0.14 0.07 -0.71 -0.24 0.00 0.00 0.00 179.25 178.24 1tqj h VAL 26 N 0.54 1.46 0.63 0.00 3.04 -1.10 -0.42 116.25 120.41 1tqj h VAL 26 Ca 0.15 -2.31 -0.03 0.00 -1.01 0.00 0.00 66.70 63.49 1tqj h VAL 26 Cb 0.07 2.24 0.01 0.00 -2.01 0.00 0.00 31.29 31.60 1tqj h VAL 26 CO -0.02 0.67 -0.30 -0.78 -1.01 0.00 0.00 177.57 176.12 1tqj h ASP 27 N 0.07 -0.72 -0.11 3.17 1.82 -1.14 -2.33 116.42 117.18 1tqj h ASP 27 Ca -0.01 -0.02 0.03 0.00 -0.39 0.00 0.00 57.03 56.64 1tqj h ASP 27 Cb 1.25 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 41.44 1tqj h ASP 27 CO 0.10 -0.37 0.08 -0.33 -1.61 0.00 0.00 179.24 177.12 1tqj h GLU 28 N -1.10 0.00 0.00 0.28 5.08 -1.16 -0.17 114.58 117.51 1tqj h GLU 28 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1tqj h GLU 28 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1tqj h GLU 28 CO 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.15 1tqj n ALA 29 N -2.53 1.99 0.00 3.43 0.00 -0.17 -4.89 120.51 118.34 1tqj n ALA 29 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1tqj n ALA 29 Cb 0.20 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.34 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 0.36 1.12 3.72 0.00 0.00 -0.08 -4.24 105.19 106.08 1tqj n GLY 30 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.25 1.97 -0.03 4.61 0.00 -0.89 -4.91 120.51 120.01 1tqj n ALA 31 Ca 0.00 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.67 1tqj n ALA 31 Cb 0.00 -2.38 -0.11 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 4.01 0.24 -4.20 0.00 3.32 -1.60 -3.45 116.42 114.73 1tqj h ASP 32 Ca -0.47 -0.72 -0.29 0.00 0.02 0.00 0.00 57.03 55.57 1tqj h ASP 32 Cb 1.25 -0.07 -0.15 0.00 0.22 0.00 0.00 39.33 40.58 1tqj h ASP 32 CO 0.73 0.93 -0.70 0.26 -1.72 0.00 0.00 179.24 178.74 1tqj s TRP 33 N -3.33 1.14 -0.21 4.55 0.51 -1.16 -3.90 118.94 116.54 1tqj s TRP 33 Ca -0.15 -0.83 -0.06 0.00 -2.12 0.00 0.00 56.10 52.94 1tqj s TRP 33 Cb 0.02 -0.61 -0.03 0.00 -0.81 0.00 0.00 33.47 32.04 1tqj s TRP 33 CO 0.74 -0.01 0.02 0.42 -0.51 0.00 0.00 176.95 177.61 1tqj s ILE 34 N -3.44 4.13 -0.19 2.03 -1.09 0.09 -3.42 121.20 119.31 1tqj s ILE 34 Ca 0.16 -0.25 -0.12 0.00 -2.23 0.00 0.00 60.65 58.21 1tqj s ILE 34 Cb 0.04 -2.88 -0.05 0.00 -1.58 0.00 0.00 42.46 37.99 1tqj s ILE 34 CO -0.01 0.42 0.20 -2.28 -1.23 0.00 0.00 174.94 172.04 1tqj s HIS 35 N 1.02 3.43 -0.23 3.97 2.46 -0.20 -0.57 115.29 125.16 1tqj s HIS 35 Ca 0.02 0.44 0.01 0.00 0.47 0.00 0.00 55.06 56.01 1tqj s HIS 35 Cb -0.14 -2.25 0.06 0.00 -0.13 0.00 0.00 32.58 30.12 1tqj s HIS 35 CO 0.02 0.25 -0.07 0.08 -2.47 0.00 0.00 174.74 172.56 1tqj s VAL 36 N 0.45 1.63 -0.39 0.89 1.01 0.02 -1.57 120.40 122.45 1tqj s VAL 36 Ca 0.12 -1.26 -0.18 0.00 0.00 0.00 0.00 61.98 60.66 1tqj s VAL 36 Cb -0.12 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1tqj s VAL 36 CO 0.01 -0.06 0.49 -1.81 0.00 0.00 0.00 175.10 173.73 1tqj s ASP 37 N 1.35 6.26 -0.28 3.32 1.01 -1.26 -0.94 116.67 126.12 1tqj s ASP 37 Ca -0.06 -0.33 -0.12 0.00 0.71 0.00 0.00 52.55 52.75 1tqj s ASP 37 Cb -0.19 -2.25 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 1tqj s ASP 37 CO -0.06 -0.55 0.23 -0.69 0.21 0.00 0.00 175.17 174.31 1tqj s VAL 38 N 2.34 5.28 -0.03 -1.27 1.01 -0.39 -4.44 120.40 122.89 1tqj s VAL 38 Ca 0.16 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.40 1tqj s VAL 38 Cb -0.16 -3.58 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 1tqj s VAL 38 CO 0.14 0.21 -0.13 -0.04 0.00 0.00 0.00 175.10 175.28 1tqj s MET 39 N 1.83 1.23 0.00 2.72 -1.94 -1.26 -0.40 119.30 121.48 1tqj s MET 39 Ca 0.09 -0.44 0.12 0.00 -1.71 0.00 0.00 55.69 53.75 1tqj s MET 39 Cb -0.16 -1.13 0.18 0.00 2.01 0.00 0.00 34.83 35.73 1tqj s MET 39 CO 0.11 0.20 1.02 -0.40 -0.01 0.00 0.00 175.02 175.94 1tqj n ASP 40 N 3.09 2.37 0.00 3.03 5.75 -1.21 -1.89 116.55 127.69 1tqj n ASP 40 Ca -0.17 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1tqj n ASP 40 Cb 0.54 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 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 0.68 0.67 0.61 6.12 0.00 0.36 -4.81 105.19 108.83 1tqj n GLY 41 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.01 0.25 0.09 1.61 5.12 -1.26 -4.60 116.66 115.86 1tqj n ARG 42 Ca 0.00 0.10 -0.03 0.00 -1.93 0.00 0.00 57.85 55.99 1tqj n ARG 42 Cb 0.03 -0.93 0.20 0.00 -1.16 0.00 0.00 32.46 30.59 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 -0.45 0.30 -4.03 -1.55 3.57 -1.87 -3.45 116.94 109.45 1tqj h PHE 43 Ca -0.09 -0.09 -0.18 0.00 3.53 0.00 0.00 57.97 61.14 1tqj h PHE 43 Cb 0.70 -0.06 -0.18 0.00 2.79 0.00 0.00 35.95 39.19 1tqj h PHE 43 CO -0.15 0.66 -0.70 0.14 -2.23 0.00 0.00 178.31 176.03 1tqj s VAL 44 N -4.06 0.33 -0.44 1.41 -7.23 -1.26 -5.01 120.40 104.15 1tqj s VAL 44 Ca -0.04 -1.43 -0.05 0.00 -1.81 0.00 0.00 61.98 58.64 1tqj s VAL 44 Cb 0.13 -1.00 -0.08 0.00 0.56 0.00 0.00 36.38 35.99 1tqj s VAL 44 CO 0.78 -0.71 3.10 -0.81 -0.31 0.00 0.00 175.10 177.14 1tqj n PRO 45 N 0.78 2.53 -3.60 4.82 -0.04 -1.26 -3.19 135.00 135.04 1tqj n PRO 45 Ca -0.18 -1.89 -0.16 0.00 -0.04 0.00 0.00 63.50 61.22 1tqj n PRO 45 Cb 0.58 -2.18 -0.07 0.00 -0.04 0.00 0.00 33.50 31.79 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 1.15 -0.52 -0.11 3.54 2.47 -1.26 -4.96 114.94 115.25 1tqj s ASN 46 Ca 0.63 0.55 0.01 0.00 0.42 0.00 0.00 52.86 54.47 1tqj s ASN 46 Cb 0.33 0.51 -0.02 0.00 -1.45 0.00 0.00 41.25 40.62 1tqj s ASN 46 CO -0.11 -0.54 -0.12 -0.63 -3.72 0.00 0.00 177.10 171.98 1tqj s ILE 47 N -1.15 3.17 0.00 -5.21 1.01 -1.26 -0.48 121.20 117.28 1tqj s ILE 47 Ca -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1tqj s ILE 47 Cb -0.02 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.14 1tqj s ILE 47 CO 0.08 0.54 0.00 0.35 0.00 0.00 0.00 174.94 175.91 1tqj n THR 48 N 3.13 0.00 -3.82 2.92 -2.24 -0.79 -4.95 114.28 108.53 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 0.53 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.62 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 -0.36 0.00 0.00 -0.26 0.00 0.00 60.65 60.03 1tqj s ILE 49 Cb 0.00 -0.42 0.00 0.00 1.25 0.00 0.00 42.46 43.29 1tqj s ILE 49 CO 0.00 -0.20 0.00 0.61 0.24 0.00 0.00 174.94 175.59 1tqj n GLY 50 N 2.05 4.82 0.41 6.27 0.00 -1.26 -4.44 105.19 113.04 1tqj n GLY 50 Ca -0.18 -2.10 0.21 0.00 0.00 0.00 0.00 46.02 43.95 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 0.27 -0.84 1.61 0.11 -1.98 -1.63 132.00 129.54 1tqj h PRO 51 Ca 0.00 -0.02 0.15 0.00 0.11 0.00 0.00 66.00 66.24 1tqj h PRO 51 Cb 0.00 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 30.99 1tqj h PRO 51 CO 0.00 0.18 0.55 -0.07 -0.21 0.00 0.00 178.00 178.45 1tqj h LEU 52 N 0.28 0.53 -0.11 2.35 3.38 -1.97 0.14 115.31 119.92 1tqj h LEU 52 Ca 0.43 0.03 -0.24 0.00 0.09 0.00 0.00 57.88 58.19 1tqj h LEU 52 Cb 1.23 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.92 1tqj h LEU 52 CO -0.12 0.27 -0.98 0.40 0.09 0.00 0.00 178.44 178.10 1tqj h ILE 53 N 0.56 1.35 -0.47 1.22 1.08 -1.68 -1.24 117.51 118.34 1tqj h ILE 53 Ca 0.42 -2.37 0.01 0.00 -0.39 0.00 0.00 64.86 62.53 1tqj h ILE 53 Cb 0.80 2.40 -0.02 0.00 -3.07 0.00 0.00 36.82 36.93 1tqj h ILE 53 CO -0.17 0.72 0.31 0.58 -0.69 0.00 0.00 178.15 178.90 1tqj h VAL 54 N 0.30 1.11 -0.86 1.67 2.07 -1.25 -1.56 116.25 117.73 1tqj h VAL 54 Ca -0.10 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1tqj h VAL 54 Cb 1.63 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1tqj h VAL 54 CO 0.18 0.11 0.48 -0.78 0.02 0.00 0.00 177.57 177.59 1tqj h ASP 55 N 0.63 1.06 -0.90 0.57 3.58 -0.68 -0.69 116.42 120.00 1tqj h ASP 55 Ca 0.17 -0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.54 1tqj h ASP 55 Cb -0.06 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.67 1tqj h ASP 55 CO -0.04 0.84 0.55 0.00 -2.88 0.00 0.00 179.24 177.71 1tqj h ALA 56 N 1.33 1.15 0.00 -0.78 0.00 -0.84 -3.18 119.26 116.94 1tqj h ALA 56 Ca 0.31 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1tqj h ALA 56 Cb 0.01 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1tqj h ALA 56 CO -0.05 0.60 -0.95 -0.84 0.00 0.00 0.00 179.25 178.01 1tqj h ILE 57 N 1.24 0.66 -0.76 0.00 3.07 -0.67 -3.40 117.51 117.65 1tqj h ILE 57 Ca 0.32 -2.07 0.08 0.00 1.55 0.00 0.00 64.86 64.75 1tqj h ILE 57 Cb -0.06 2.20 -0.07 0.00 -0.27 0.00 0.00 36.82 38.63 1tqj h ILE 57 CO -0.06 0.38 0.42 -0.09 -1.05 0.00 0.00 178.15 177.74 1tqj h ARG 58 N 0.00 0.70 0.00 0.16 9.65 -1.12 -1.30 114.38 122.47 1tqj h ARG 58 Ca -0.08 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 1tqj h ARG 58 Cb 1.46 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 1tqj h ARG 58 CO 0.05 0.47 0.00 -0.35 2.80 0.00 0.00 179.97 182.94 1tqj n PRO 59 N -4.78 0.37 0.00 0.20 -0.04 -1.26 -3.61 135.00 125.88 1tqj n PRO 59 Ca 0.12 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.75 1tqj n PRO 59 Cb 0.25 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1tqj n PRO 59 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1tqj n LEU 60 N -1.24 1.45 -3.69 1.53 4.77 -0.49 -4.92 117.00 114.42 1tqj n LEU 60 Ca 0.11 -0.61 -0.14 0.00 -0.03 0.00 0.00 56.01 55.35 1tqj n LEU 60 Cb 0.15 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.16 1tqj n LEU 60 CO 0.16 0.30 0.14 0.28 -1.33 0.00 0.00 177.39 176.94 1tqj s THR 61 N -2.77 0.05 -1.99 -5.08 -1.32 -1.24 -4.67 115.64 98.61 1tqj s THR 61 Ca 0.13 -0.38 0.24 0.00 -1.21 0.00 0.00 61.69 60.47 1tqj s THR 61 Cb 0.17 -0.79 0.09 0.00 -1.51 0.00 0.00 72.50 70.47 1tqj s THR 61 CO 0.74 -0.21 1.25 0.29 -2.21 0.00 0.00 174.62 174.48 1tqj n LYS 62 N 0.99 1.14 -1.42 7.08 4.76 -1.26 -4.87 118.16 124.58 1tqj n LYS 62 Ca -0.20 -0.88 -0.32 0.00 -2.87 0.00 0.00 58.31 54.04 1tqj n LYS 62 Cb 0.57 -1.48 0.08 0.00 -1.84 0.00 0.00 35.03 32.36 1tqj n LYS 62 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1tqj s LYS 63 N -2.46 2.36 0.11 1.97 -0.14 -1.26 -4.95 119.74 115.37 1tqj s LYS 63 Ca 0.21 1.32 -0.33 0.00 -1.36 0.00 0.00 55.97 55.81 1tqj s LYS 63 Cb 0.19 -1.90 -0.12 0.00 -1.68 0.00 0.00 37.83 34.31 1tqj s LYS 63 CO 0.54 -1.58 1.72 2.41 -0.76 0.00 0.00 175.35 177.68 1tqj n THR 64 N -3.11 0.20 -3.44 2.17 -1.04 -1.25 -4.83 114.28 102.99 1tqj n THR 64 Ca 0.10 -0.04 -0.39 0.00 -2.04 0.00 0.00 64.05 61.68 1tqj n THR 64 Cb 0.52 -1.80 -0.10 0.00 -1.82 0.00 0.00 70.33 67.14 1tqj n THR 64 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1tqj s LEU 65 N 1.98 4.17 -0.37 -4.42 1.43 -1.26 -0.73 118.68 119.48 1tqj s LEU 65 Ca 0.82 0.05 -0.05 0.00 -1.03 0.00 0.00 54.13 53.92 1tqj s LEU 65 Cb -0.61 -2.33 0.08 0.00 0.03 0.00 0.00 46.19 43.36 1tqj s LEU 65 CO 0.40 -0.21 0.15 -0.62 0.23 0.00 0.00 176.35 176.29 1tqj s ASP 66 N 1.70 5.25 -0.29 2.29 2.15 0.26 -0.58 116.67 127.46 1tqj s ASP 66 Ca 0.12 -1.58 -0.07 0.00 0.43 0.00 0.00 52.55 51.46 1tqj s ASP 66 Cb -0.16 -1.84 0.00 0.00 -0.30 0.00 0.00 42.92 40.62 1tqj s ASP 66 CO 0.11 -0.43 0.08 -0.69 -0.17 0.00 0.00 175.17 174.06 1tqj s VAL 67 N 1.27 4.02 -0.37 1.11 1.01 -0.04 -0.80 120.40 126.61 1tqj s VAL 67 Ca 0.02 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.26 1tqj s VAL 67 Cb -0.22 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 1tqj s VAL 67 CO -0.01 0.13 0.31 -2.28 0.00 0.00 0.00 175.10 173.26 1tqj s HIS 68 N 1.52 3.22 -0.72 5.22 2.46 -0.12 -1.00 115.29 125.87 1tqj s HIS 68 Ca 0.03 -0.26 -0.18 0.00 0.47 0.00 0.00 55.06 55.12 1tqj s HIS 68 Cb -0.17 -2.61 0.13 0.00 -0.13 0.00 0.00 32.58 29.80 1tqj s HIS 68 CO 0.02 -0.47 0.83 -0.51 -2.47 0.00 0.00 174.74 172.14 1tqj s LEU 69 N 1.85 5.50 -1.12 8.88 1.43 0.56 -1.27 118.68 134.52 1tqj s LEU 69 Ca 0.08 -1.78 -0.04 0.00 -1.03 0.00 0.00 54.13 51.37 1tqj s LEU 69 Cb -0.17 -2.32 0.27 0.00 0.03 0.00 0.00 46.19 44.00 1tqj s LEU 69 CO 0.11 -1.03 1.80 0.80 0.23 0.00 0.00 176.35 178.26 1tqj n MET 70 N 6.05 4.79 -4.03 1.70 1.56 0.46 -4.15 117.12 123.51 1tqj n MET 70 Ca 0.03 -4.33 -0.08 0.00 -0.27 0.00 0.00 57.70 53.05 1tqj n MET 70 Cb 0.45 -2.56 -0.10 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 -2.81 0.18 0.50 1.12 -4.36 -1.26 -3.55 121.20 111.01 1tqj s ILE 71 Ca 0.38 -1.45 -0.19 0.00 -0.26 0.00 0.00 60.65 59.13 1tqj s ILE 71 Cb 0.13 -1.11 -0.08 0.00 1.25 0.00 0.00 42.46 42.65 1tqj s ILE 71 CO -0.03 -0.80 1.03 0.68 0.24 0.00 0.00 174.94 176.07 1tqj s VAL 72 N -3.13 3.86 -1.27 8.37 -7.23 -1.26 -4.21 120.40 115.53 1tqj s VAL 72 Ca -0.00 1.11 -0.07 0.00 -1.81 0.00 0.00 61.98 61.20 1tqj s VAL 72 Cb 0.02 -3.46 -0.01 0.00 0.56 0.00 0.00 36.38 33.50 1tqj s VAL 72 CO -0.07 -0.30 0.64 1.21 -0.31 0.00 0.00 175.10 176.27 1tqj n GLU 73 N -1.12 -2.99 0.26 4.82 2.13 0.49 -4.85 120.64 119.38 1tqj n GLU 73 Ca 0.09 0.50 0.10 0.00 0.66 0.00 0.00 57.16 58.51 1tqj n GLU 73 Cb 0.53 -4.61 0.70 0.00 0.27 0.00 0.00 31.44 28.33 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 -0.29 5.31 0.13 -1.74 -1.73 132.00 131.84 1tqj h PRO 74 Ca -0.64 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.58 1tqj h PRO 74 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 1tqj h PRO 74 CO 0.55 0.04 0.35 1.05 -0.23 0.00 0.00 178.00 179.76 1tqj h GLU 75 N 0.00 0.00 0.00 0.86 9.09 -1.93 0.34 114.58 122.94 1tqj h GLU 75 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.38 1tqj h GLU 75 Cb 0.08 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.18 1tqj h GLU 75 CO 0.01 0.00 -0.13 0.87 0.05 0.00 0.00 179.01 179.81 1tqj h LYS 76 N 0.00 0.00 -0.00 1.06 1.57 -1.67 -3.26 116.57 114.27 1tqj h LYS 76 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1tqj h LYS 76 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1tqj h LYS 76 CO -0.00 0.13 -0.00 0.66 -0.57 0.00 0.00 179.45 179.67 1tqj n TYR 77 N -4.14 0.00 -0.12 -1.35 4.02 0.07 -4.72 117.16 110.91 1tqj n TYR 77 Ca -0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.79 1tqj n TYR 77 Cb 0.21 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.53 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 0.05 1.07 -0.76 -0.72 2.07 -1.48 -1.46 116.25 115.02 1tqj h VAL 78 Ca 0.00 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1tqj h VAL 78 Cb 0.01 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1tqj h VAL 78 CO 0.00 0.09 0.37 -0.08 0.02 0.00 0.00 177.57 177.97 1tqj h GLU 79 N 0.51 1.10 -0.82 1.57 4.81 -1.85 -0.09 114.58 119.81 1tqj h GLU 79 Ca 0.15 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1tqj h GLU 79 Cb -0.03 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.12 1tqj h GLU 79 CO -0.05 0.85 0.42 -0.44 -0.73 0.00 0.00 179.01 179.05 1tqj h ASP 80 N 1.07 1.05 -0.10 1.04 3.32 -1.76 0.91 116.42 121.95 1tqj h ASP 80 Ca 0.26 -0.12 -0.20 0.00 0.02 0.00 0.00 57.03 56.99 1tqj h ASP 80 Cb 0.11 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.40 1tqj h ASP 80 CO -0.03 0.87 -0.69 -0.26 -1.72 0.00 0.00 179.24 177.41 1tqj h PHE 81 N 1.15 0.96 -0.65 4.55 0.04 -0.89 -1.57 116.94 120.52 1tqj h PHE 81 Ca 0.28 -0.39 0.02 0.00 2.80 0.00 0.00 57.97 60.68 1tqj h PHE 81 Cb 0.08 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.03 1tqj h PHE 81 CO 0.01 1.20 0.41 0.00 -0.60 0.00 0.00 178.31 179.33 1tqj h ALA 82 N 0.70 0.83 -0.48 2.45 0.00 -0.74 -1.57 119.26 120.44 1tqj h ALA 82 Ca -0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1tqj h ALA 82 Cb 1.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1tqj h ALA 82 CO 0.14 0.19 0.08 1.57 0.00 0.00 0.00 179.25 181.23 1tqj h LYS 83 N 0.82 0.74 0.00 0.00 5.09 -0.65 -2.30 116.57 120.27 1tqj h LYS 83 Ca 0.25 -0.16 0.00 0.00 0.09 0.00 0.00 60.65 60.83 1tqj h LYS 83 Cb -0.02 -0.11 0.00 0.00 0.10 0.00 0.00 32.23 32.20 1tqj h LYS 83 CO -0.09 0.70 0.00 0.00 -2.09 0.00 0.00 179.45 177.97 1tqj h ALA 84 N 1.38 1.00 0.00 0.07 0.00 -0.98 -3.46 119.26 117.27 1tqj h ALA 84 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1tqj h ALA 84 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1tqj h ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1tqj n GLY 85 N 0.42 1.34 3.73 0.00 0.00 -0.87 -3.77 105.19 106.04 1tqj n GLY 85 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1tqj n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tqj n ALA 86 N 0.00 2.23 -0.12 4.61 0.00 -0.64 -4.68 120.51 121.92 1tqj n ALA 86 Ca 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.66 1tqj n ALA 86 Cb 0.00 -2.42 -0.13 0.00 0.00 0.00 0.00 19.45 16.90 1tqj n ALA 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1tqj n ASP 87 N 2.24 1.50 -4.41 0.00 8.00 0.25 -4.70 116.55 119.42 1tqj n ASP 87 Ca 0.10 -0.09 -0.33 0.00 0.71 0.00 0.00 54.79 55.18 1tqj n ASP 87 Cb 0.35 -0.08 -0.14 0.00 -0.02 0.00 0.00 41.12 41.23 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 -2.51 2.96 -0.16 0.53 1.01 -0.74 -1.64 121.20 120.65 1tqj s ILE 88 Ca -0.28 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.64 1tqj s ILE 88 Cb 0.08 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.39 1tqj s ILE 88 CO 0.66 0.56 -0.13 -0.63 0.00 0.00 0.00 174.94 175.41 1tqj s ILE 89 N -0.22 1.54 -0.03 2.92 1.01 0.31 -0.86 121.20 125.87 1tqj s ILE 89 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1tqj s ILE 89 Cb -0.13 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1tqj s ILE 89 CO 0.03 0.38 -0.05 -0.94 0.00 0.00 0.00 174.94 174.36 1tqj s SER 90 N 1.48 4.77 0.09 3.58 1.04 -0.17 -0.63 113.70 123.87 1tqj s SER 90 Ca 0.03 -0.05 0.03 0.00 0.48 0.00 0.00 55.95 56.45 1tqj s SER 90 Cb -0.14 -1.19 -0.04 0.00 0.10 0.00 0.00 66.02 64.76 1tqj s SER 90 CO -0.10 0.32 -0.09 0.68 0.98 0.00 0.00 173.24 175.04 1tqj s VAL 91 N -0.93 0.82 0.36 5.02 -7.23 -0.21 -0.32 120.40 117.90 1tqj s VAL 91 Ca 0.15 -1.66 -0.20 0.00 -1.81 0.00 0.00 61.98 58.46 1tqj s VAL 91 Cb -0.11 -1.36 -0.10 0.00 0.56 0.00 0.00 36.38 35.37 1tqj s VAL 91 CO 0.05 -0.63 0.87 -1.00 -0.31 0.00 0.00 175.10 174.08 1tqj s HIS 92 N -2.66 3.44 -0.27 2.82 3.76 -1.26 -0.06 115.29 121.07 1tqj s HIS 92 Ca 0.05 1.52 0.21 0.00 -0.15 0.00 0.00 55.06 56.69 1tqj s HIS 92 Cb -0.01 -2.76 0.09 0.00 1.11 0.00 0.00 32.58 31.01 1tqj s HIS 92 CO -0.01 0.06 1.24 -0.39 -0.85 0.00 0.00 174.74 174.79 1tqj h VAL 93 N 2.17 0.21 -4.04 -0.90 -1.51 -1.70 -3.45 116.25 107.02 1tqj h VAL 93 Ca -0.48 -1.34 -0.54 0.00 -1.23 0.00 0.00 66.70 63.11 1tqj h VAL 93 Cb 1.18 1.87 0.12 0.00 -2.13 0.00 0.00 31.29 32.33 1tqj h VAL 93 CO 0.63 0.12 0.57 -1.61 -1.23 0.00 0.00 177.57 176.05 1tqj s GLU 94 N -3.19 3.30 0.49 5.19 8.01 -1.26 -4.88 118.70 126.36 1tqj s GLU 94 Ca 0.02 2.10 0.28 0.00 0.01 0.00 0.00 54.97 57.38 1tqj s GLU 94 Cb 0.08 -2.29 0.86 0.00 -4.31 0.00 0.00 34.13 28.47 1tqj s GLU 94 CO 0.75 -1.02 1.80 0.45 0.01 0.00 0.00 175.26 177.25 1tqj h HIS 95 N 1.61 0.00 0.00 1.61 3.86 -2.02 -2.04 115.15 118.16 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 0.04 0.00 0.27 0.86 0.00 0.00 177.93 179.57 1tqj n ASN 96 N -3.12 0.00 -0.10 2.45 6.94 -1.26 -5.02 115.26 115.14 1tqj n ASN 96 Ca 0.02 -0.34 -0.17 0.00 -0.02 0.00 0.00 54.58 54.07 1tqj n ASN 96 Cb 0.42 -0.19 -0.07 0.00 -2.36 0.00 0.00 39.78 37.59 1tqj n ASN 96 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tqj n ALA 97 N -1.19 0.85 -3.38 -2.53 0.00 -0.77 -4.76 120.51 108.73 1tqj n ALA 97 Ca 0.15 -0.73 -0.24 0.00 0.00 0.00 0.00 53.44 52.61 1tqj n ALA 97 Cb 0.17 -0.09 0.05 0.00 0.00 0.00 0.00 19.45 19.57 1tqj n ALA 97 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1tqj n HIS 100 N -4.43 -2.32 -0.02 0.00 8.25 -1.26 -0.38 115.22 115.07 1tqj n HIS 100 Ca -0.29 0.74 -0.09 0.00 -0.26 0.00 0.00 57.72 57.82 1tqj n HIS 100 Cb 0.61 -4.46 -0.02 0.00 1.12 0.00 0.00 29.99 27.24 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 -1.90 -0.45 -0.61 2.41 5.85 -1.94 -1.59 115.31 117.08 1tqj h LEU 101 Ca -0.54 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.34 1tqj h LEU 101 Cb 1.36 0.23 -0.06 0.00 0.37 0.00 0.00 40.66 42.56 1tqj h LEU 101 CO 0.58 -0.18 0.30 -0.74 -0.34 0.00 0.00 178.44 178.06 1tqj h HIS 102 N -0.15 0.54 -0.83 1.25 2.76 -1.99 -1.06 115.15 115.66 1tqj h HIS 102 Ca 0.11 0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.32 1tqj h HIS 102 Cb 0.31 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.08 1tqj h HIS 102 CO -0.28 0.23 0.55 -0.09 -1.30 0.00 0.00 177.93 177.03 1tqj h ARG 103 N 0.55 1.07 -0.32 5.26 1.12 -1.78 -2.05 114.38 118.23 1tqj h ARG 103 Ca 0.29 -0.06 -0.15 0.00 -1.11 0.00 0.00 59.98 58.94 1tqj h ARG 103 Cb 0.25 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 29.96 1tqj h ARG 103 CO -0.22 0.71 -0.42 1.15 -3.11 0.00 0.00 179.97 178.07 1tqj h THR 104 N 1.10 1.28 -0.74 0.20 2.02 -0.72 0.18 112.91 116.24 1tqj h THR 104 Ca 0.32 -1.60 -0.06 0.00 0.77 0.00 0.00 66.41 65.83 1tqj h THR 104 Cb -0.08 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 1tqj h THR 104 CO -0.08 0.52 0.22 -0.07 0.37 0.00 0.00 175.52 176.48 1tqj h LEU 105 N 0.64 1.09 -0.50 2.58 3.38 -1.06 -2.10 115.31 119.33 1tqj h LEU 105 Ca 0.05 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1tqj h LEU 105 Cb 0.99 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1tqj h LEU 105 CO 0.09 1.01 -0.01 0.00 0.09 0.00 0.00 178.44 179.63 1tqj h GLN 107 N 0.76 0.36 -0.23 0.00 4.15 -0.33 0.12 115.11 119.94 1tqj h GLN 107 Ca 0.14 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 1tqj h GLN 107 Cb 0.53 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 1tqj h GLN 107 CO 0.03 0.24 0.07 0.82 -1.93 0.00 0.00 178.83 178.06 1tqj h ILE 108 N 0.37 1.19 -0.05 2.39 2.04 -1.21 -2.47 117.51 119.77 1tqj h ILE 108 Ca 0.34 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 1tqj h ILE 108 Cb 0.48 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1tqj h ILE 108 CO -0.37 0.19 -0.25 0.03 0.00 0.00 0.00 178.15 177.75 1tqj h ARG 109 N 0.20 0.08 0.00 2.37 3.08 -1.06 -2.37 114.38 116.67 1tqj h ARG 109 Ca 0.07 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1tqj h ARG 109 Cb 0.23 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1tqj h ARG 109 CO -0.00 0.33 -0.04 0.93 -1.07 0.00 0.00 179.97 180.12 1tqj h GLU 110 N 0.07 0.00 -0.04 0.04 5.08 -0.36 -0.21 114.58 119.16 1tqj h GLU 110 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1tqj h GLU 110 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1tqj h GLU 110 CO 0.03 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.36 1tqj n LEU 111 N -3.15 1.16 0.00 1.33 4.77 -0.92 -4.91 117.00 115.28 1tqj n LEU 111 Ca 0.00 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.57 1tqj n LEU 111 Cb 0.32 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1tqj n LEU 111 CO 0.28 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1tqj n GLY 112 N 1.11 0.75 3.98 -0.72 0.00 -0.09 -5.06 105.19 105.16 1tqj n GLY 112 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.51 2.64 -0.10 1.61 -0.14 -1.03 -5.01 119.74 117.21 1tqj s LYS 113 Ca 0.00 -1.41 -0.11 0.00 -1.36 0.00 0.00 55.97 53.08 1tqj s LYS 113 Cb 0.00 -2.63 -0.05 0.00 -1.68 0.00 0.00 37.83 33.48 1tqj s LYS 113 CO 0.00 -0.38 0.26 0.15 -0.76 0.00 0.00 175.35 174.62 1tqj s LYS 114 N -4.36 3.84 -0.17 1.68 -0.14 -0.65 -3.77 119.74 116.17 1tqj s LYS 114 Ca 0.54 0.09 -0.07 0.00 -1.36 0.00 0.00 55.97 55.17 1tqj s LYS 114 Cb -0.07 -3.27 -0.04 0.00 -1.68 0.00 0.00 37.83 32.76 1tqj s LYS 114 CO 0.32 0.58 0.06 0.00 -0.76 0.00 0.00 175.35 175.56 1tqj s ALA 115 N -0.58 3.42 0.04 5.17 0.00 -1.26 -0.53 121.76 128.03 1tqj s ALA 115 Ca 0.18 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.46 1tqj s ALA 115 Cb -0.14 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 1tqj s ALA 115 CO 0.06 0.24 -0.15 0.20 0.00 0.00 0.00 175.76 176.12 1tqj s GLY 116 N 0.18 1.64 -0.07 0.00 0.00 0.20 -0.60 107.32 108.66 1tqj s GLY 116 Ca 0.04 -1.17 0.03 0.00 0.00 0.00 0.00 44.72 43.62 1tqj s GLY 116 CO 0.00 -1.06 -0.14 0.00 0.00 0.00 0.00 173.10 171.91 1tqj s ALA 117 N -0.97 2.66 -0.04 3.20 0.00 -0.74 -1.05 121.76 124.82 1tqj s ALA 117 Ca 0.16 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.23 1tqj s ALA 117 Cb -0.11 -1.04 -0.02 0.00 0.00 0.00 0.00 23.12 21.96 1tqj s ALA 117 CO 0.07 0.47 -0.25 0.08 0.00 0.00 0.00 175.76 176.13 1tqj s VAL 118 N -0.44 2.12 -0.15 0.00 1.01 0.92 -0.75 120.40 123.12 1tqj s VAL 118 Ca 0.05 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.99 1tqj s VAL 118 Cb -0.12 -1.75 0.01 0.00 0.00 0.00 0.00 36.38 34.52 1tqj s VAL 118 CO 0.02 0.58 -0.21 -0.76 0.00 0.00 0.00 175.10 174.72 1tqj s LEU 119 N -0.43 2.10 0.95 3.92 1.02 -0.37 -1.68 118.68 124.19 1tqj s LEU 119 Ca 0.04 -0.60 -0.11 0.00 0.02 0.00 0.00 54.13 53.48 1tqj s LEU 119 Cb -0.12 -1.44 0.16 0.00 0.02 0.00 0.00 46.19 44.82 1tqj s LEU 119 CO 0.01 0.06 1.09 0.20 0.02 0.00 0.00 176.35 177.74 1tqj s ASN 120 N 0.91 2.87 0.29 2.29 0.01 -1.26 -1.87 114.94 118.17 1tqj s ASN 120 Ca -0.05 1.73 0.04 0.00 -0.71 0.00 0.00 52.86 53.87 1tqj s ASN 120 Cb -0.15 -2.35 0.65 0.00 0.41 0.00 0.00 41.25 39.81 1tqj s ASN 120 CO -0.04 -3.06 1.81 -0.65 -1.51 0.00 0.00 177.10 173.65 1tqj h PRO 121 N -1.84 0.85 0.00 -0.60 0.11 -1.84 -1.46 132.00 127.23 1tqj h PRO 121 Ca -0.50 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1tqj h PRO 121 Cb 1.28 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1tqj h PRO 121 CO 0.50 0.57 0.00 0.66 -0.21 0.00 0.00 178.00 179.51 1tqj h SER 122 N 0.88 0.00 -3.24 -2.05 4.64 -1.92 -3.47 113.55 108.39 1tqj h SER 122 Ca 0.54 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.32 1tqj h SER 122 Cb 0.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.78 1tqj h SER 122 CO -0.33 0.00 0.52 -0.89 -0.87 0.00 0.00 176.83 175.26 1tqj s THR 123 N -3.18 4.28 0.62 2.95 2.01 -0.55 -5.01 115.64 116.75 1tqj s THR 123 Ca 0.09 1.64 -0.09 0.00 0.31 0.00 0.00 61.69 63.63 1tqj s THR 123 Cb 0.10 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 1tqj s THR 123 CO 0.57 0.12 0.99 -2.16 -0.69 0.00 0.00 174.62 173.45 1tqj s PRO 124 N 1.15 3.25 0.29 4.92 0.04 -1.26 -4.84 135.00 138.55 1tqj s PRO 124 Ca 0.57 0.44 0.26 0.00 0.04 0.00 0.00 61.00 62.30 1tqj s PRO 124 Cb -0.27 -2.15 0.93 0.00 0.04 0.00 0.00 34.50 33.06 1tqj s PRO 124 CO 0.28 -0.67 1.76 -0.07 0.04 0.00 0.00 177.00 178.34 1tqj h LEU 125 N -0.30 0.00 -1.55 -3.56 3.38 -1.97 -2.97 115.31 108.34 1tqj h LEU 125 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1tqj h LEU 125 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1tqj h LEU 125 CO 0.62 0.00 0.00 -2.24 0.09 0.00 0.00 178.44 176.91 1tqj h ASP 126 N 0.00 0.00 0.31 -0.43 3.04 -2.02 0.65 116.42 117.98 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 0.55 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.84 1tqj h ASP 126 CO 0.00 0.00 0.00 -0.26 -2.04 0.00 0.00 179.24 176.94 1tqj h PHE 127 N 0.00 0.00 -0.02 4.15 -1.00 -1.93 -2.46 116.94 115.68 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 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 1tqj h PHE 127 CO 0.00 0.00 -0.09 1.28 -1.61 0.00 0.00 178.31 177.89 1tqj n LEU 128 N -2.34 2.36 -0.24 1.54 4.77 0.22 -4.68 117.00 118.63 1tqj n LEU 128 Ca -0.00 -0.94 0.07 0.00 -0.03 0.00 0.00 56.01 55.11 1tqj n LEU 128 Cb 0.12 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.54 1tqj n LEU 128 CO 0.15 0.42 1.23 -0.08 -1.33 0.00 0.00 177.39 177.77 1tqj h GLU 129 N 3.26 0.79 -0.00 3.23 4.57 -1.50 -1.21 114.58 123.72 1tqj h GLU 129 Ca 0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1tqj h GLU 129 Cb 0.74 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1tqj h GLU 129 CO 0.00 0.53 -0.71 0.66 -1.18 0.00 0.00 179.01 178.31 1tqj n TYR 130 N -4.50 0.00 0.72 0.92 4.02 -1.26 -4.37 117.16 112.68 1tqj n TYR 130 Ca 0.13 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 58.10 1tqj n TYR 130 Cb 0.28 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.56 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 -1.30 0.00 -0.27 -0.72 0.24 -1.02 -4.69 118.33 110.57 1tqj n VAL 131 Ca 0.03 -0.24 0.06 0.00 -2.04 0.00 0.00 64.34 62.15 1tqj n VAL 131 Cb 0.25 1.10 0.21 0.00 -1.47 0.00 0.00 33.84 33.92 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 0.96 0.36 -2.86 1.34 3.38 -1.43 0.82 115.31 117.88 1tqj h LEU 132 Ca 0.00 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1tqj h LEU 132 Cb 0.46 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1tqj h LEU 132 CO 0.00 0.13 0.04 -0.65 0.09 0.00 0.00 178.44 178.05 1tqj h PRO 133 N 0.50 0.00 -0.37 1.13 0.11 -1.88 -2.26 132.00 129.23 1tqj h PRO 133 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 1tqj h PRO 133 Cb 0.66 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1tqj h PRO 133 CO -0.40 0.00 0.00 1.33 -0.21 0.00 0.00 178.00 178.72 1tqj n VAL 134 N -3.04 1.04 -3.15 3.15 0.24 0.26 -4.95 118.33 111.87 1tqj n VAL 134 Ca -0.03 -1.02 -0.39 0.00 -2.04 0.00 0.00 64.34 60.86 1tqj n VAL 134 Cb 0.11 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 32.90 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 7.09 0.00 -3.88 0.00 3.32 -1.17 -3.41 116.42 118.37 1tqj h ASP 136 Ca -0.36 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.61 1tqj h ASP 136 Cb 1.17 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.49 1tqj h ASP 136 CO 0.76 0.12 -0.03 -0.22 -1.72 0.00 0.00 179.24 178.15 1tqj s LEU 137 N -6.12 -0.29 -0.12 1.55 0.20 -1.02 -1.74 118.68 111.15 1tqj s LEU 137 Ca 0.05 1.20 0.02 0.00 0.69 0.00 0.00 54.13 56.09 1tqj s LEU 137 Cb 0.06 2.02 -0.00 0.00 -0.43 0.00 0.00 46.19 47.84 1tqj s LEU 137 CO 0.71 -0.21 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.74 1tqj s ILE 138 N 0.42 2.44 -0.28 6.68 -1.09 0.01 -1.79 121.20 127.59 1tqj s ILE 138 Ca -0.01 -0.88 -0.08 0.00 -2.23 0.00 0.00 60.65 57.45 1tqj s ILE 138 Cb -0.04 -1.98 -0.01 0.00 -1.58 0.00 0.00 42.46 38.85 1tqj s ILE 138 CO -0.01 0.54 0.10 -0.22 -1.23 0.00 0.00 174.94 174.13 1tqj s LEU 139 N 0.39 3.78 -0.48 2.97 2.96 0.07 -0.53 118.68 127.84 1tqj s LEU 139 Ca -0.15 -0.43 -0.19 0.00 -0.22 0.00 0.00 54.13 53.15 1tqj s LEU 139 Cb -0.17 -1.95 0.05 0.00 0.50 0.00 0.00 46.19 44.62 1tqj s LEU 139 CO 0.07 -0.13 0.57 -0.63 -1.32 0.00 0.00 176.35 174.91 1tqj s ILE 140 N 1.59 4.94 0.17 6.68 -1.09 0.28 -1.24 121.20 132.54 1tqj s ILE 140 Ca 0.05 -0.46 -0.31 0.00 -2.23 0.00 0.00 60.65 57.70 1tqj s ILE 140 Cb -0.16 -4.23 -0.09 0.00 -1.58 0.00 0.00 42.46 36.40 1tqj s ILE 140 CO 0.04 -0.70 1.42 -0.04 -1.23 0.00 0.00 174.94 174.44 1tqj s MET 141 N 2.47 4.30 -0.01 2.79 -1.94 -0.78 -2.47 119.30 123.66 1tqj s MET 141 Ca 0.14 2.18 0.05 0.00 -1.71 0.00 0.00 55.69 56.35 1tqj s MET 141 Cb -0.19 -3.19 0.12 0.00 2.01 0.00 0.00 34.83 33.58 1tqj s MET 141 CO 0.12 -0.43 1.09 -1.13 -0.01 0.00 0.00 175.02 174.66 1tqj n SER 142 N 3.36 2.33 -4.12 3.03 3.41 0.05 -3.93 113.62 117.75 1tqj n SER 142 Ca 0.10 -2.10 -0.10 0.00 -0.26 0.00 0.00 58.87 56.50 1tqj n SER 142 Cb 0.41 -0.11 -0.09 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.18 0.05 -0.13 -3.33 -7.23 -1.25 -0.71 120.40 106.63 1tqj s VAL 143 Ca 0.10 -1.80 0.21 0.00 -1.81 0.00 0.00 61.98 58.68 1tqj s VAL 143 Cb 0.06 -2.17 -0.18 0.00 0.56 0.00 0.00 36.38 34.65 1tqj s VAL 143 CO 0.05 -0.24 0.71 0.59 -0.31 0.00 0.00 175.10 175.89 1tqj n ASN 144 N -0.20 0.42 0.00 4.85 3.02 -1.26 -4.69 115.26 117.40 1tqj n ASN 144 Ca -0.03 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1tqj n ASN 144 Cb 0.64 1.15 0.00 0.00 -0.61 0.00 0.00 39.78 40.96 1tqj n ASN 144 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1tqj n SER 151 N -2.52 0.00 -4.67 6.41 3.41 -1.26 -5.15 113.62 109.84 1tqj n SER 151 Ca -0.05 0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.10 1tqj n SER 151 Cb 0.63 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.54 1tqj n SER 151 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1tqj n PHE 152 N 0.00 2.23 -3.06 7.33 7.35 -1.26 -4.85 117.46 125.20 1tqj n PHE 152 Ca 0.00 0.31 -0.43 0.00 -0.76 0.00 0.00 57.45 56.58 1tqj n PHE 152 Cb 0.00 -2.52 -0.06 0.00 0.35 0.00 0.00 39.48 37.25 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 0.69 4.78 0.41 -2.13 1.01 0.11 -4.95 121.20 121.12 1tqj s ILE 153 Ca 0.77 0.31 0.19 0.00 0.00 0.00 0.00 60.65 61.92 1tqj s ILE 153 Cb -0.68 -4.22 0.21 0.00 0.01 0.00 0.00 42.46 37.77 1tqj s ILE 153 CO 0.41 -0.58 1.98 1.55 0.00 0.00 0.00 174.94 178.30 1tqj h PRO 154 N 8.83 0.00 0.00 2.79 0.13 -1.92 -2.65 132.00 139.17 1tqj h PRO 154 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1tqj h PRO 154 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1tqj h PRO 154 CO 0.90 0.20 0.00 0.93 -0.23 0.00 0.00 178.00 179.80 1tqj h GLU 155 N 0.00 0.00 0.00 0.86 3.07 -1.99 -2.23 114.58 114.29 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 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1tqj h GLU 155 CO 0.03 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 178.97 1tqj n VAL 156 N -2.57 0.58 -0.06 3.13 0.24 -1.00 -4.01 118.33 114.64 1tqj n VAL 156 Ca -0.01 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.34 62.11 1tqj n VAL 156 Cb 0.08 -0.74 -0.03 0.00 -1.47 0.00 0.00 33.84 31.68 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 0.29 -1.61 1.34 3.38 -1.62 -0.87 115.31 116.23 1tqj h LEU 157 Ca 0.00 -0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.05 1tqj h LEU 157 Cb 0.57 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1tqj h LEU 157 CO 0.00 0.26 0.48 -0.65 0.09 0.00 0.00 178.44 178.62 1tqj h PRO 158 N 0.30 0.39 -0.59 1.13 0.11 -1.80 -2.04 132.00 129.50 1tqj h PRO 158 Ca 0.09 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.13 1tqj h PRO 158 Cb 0.03 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 1tqj h PRO 158 CO -0.02 0.26 0.19 -0.22 -0.21 0.00 0.00 178.00 178.00 1tqj h LYS 159 N 0.40 0.91 -0.35 1.05 3.64 -1.38 -0.68 116.57 120.17 1tqj h LYS 159 Ca 0.35 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1tqj h LYS 159 Cb 0.80 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1tqj h LYS 159 CO -0.11 0.82 0.09 0.82 -2.27 0.00 0.00 179.45 178.80 1tqj h ILE 160 N 0.83 1.22 -0.24 2.00 2.04 -0.65 -0.00 117.51 122.71 1tqj h ILE 160 Ca 0.19 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1tqj h ILE 160 Cb 0.28 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1tqj h ILE 160 CO -0.01 0.25 0.13 0.03 0.00 0.00 0.00 178.15 178.56 1tqj h ARG 161 N 0.42 0.33 -0.56 2.37 3.08 -1.27 -0.67 114.38 118.07 1tqj h ARG 161 Ca 0.11 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 1tqj h ARG 161 Cb 0.29 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1tqj h ARG 161 CO 0.00 0.29 0.19 0.00 -1.07 0.00 0.00 179.97 179.38 1tqj h ALA 162 N 1.02 1.29 -0.35 0.04 0.00 -1.00 -0.84 119.26 119.43 1tqj h ALA 162 Ca 0.08 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1tqj h ALA 162 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1tqj h ALA 162 CO -0.01 0.51 -0.06 1.25 0.00 0.00 0.00 179.25 180.94 1tqj h LEU 163 N 0.80 0.65 -0.87 0.00 5.85 -0.67 -0.79 115.31 120.29 1tqj h LEU 163 Ca 0.19 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1tqj h LEU 163 Cb 0.21 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 1tqj h LEU 163 CO -0.01 0.85 0.55 -0.09 -0.34 0.00 0.00 178.44 179.40 1tqj h ARG 164 N 0.45 1.16 -0.55 1.25 9.65 -0.76 -0.77 114.38 124.81 1tqj h ARG 164 Ca 0.09 -0.09 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 1tqj h ARG 164 Cb 0.55 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.86 1tqj h ARG 164 CO 0.03 0.79 0.22 0.37 2.80 0.00 0.00 179.97 184.18 1tqj h GLN 165 N 1.18 0.82 -0.64 0.20 5.75 -0.97 -0.70 115.11 120.75 1tqj h GLN 165 Ca 0.31 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.69 1tqj h GLN 165 Cb -0.09 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.29 1tqj h GLN 165 CO -0.06 0.71 0.41 0.52 -2.65 0.00 0.00 178.83 177.75 1tqj h MET 166 N 0.75 0.79 -0.39 1.69 2.86 -0.63 -0.12 114.93 119.88 1tqj h MET 166 Ca 0.18 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.73 1tqj h MET 166 Cb 0.19 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 1tqj h MET 166 CO -0.02 0.52 0.06 0.00 1.06 0.00 0.00 176.91 178.53 1tqj h ASP 168 N 0.49 0.57 -0.04 0.00 3.32 -0.61 -0.67 116.42 119.48 1tqj h ASP 168 Ca 0.12 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 57.04 1tqj h ASP 168 Cb 0.38 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1tqj h ASP 168 CO 0.01 0.49 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.62 1tqj h GLU 169 N 0.60 0.27 -0.01 3.56 5.08 -0.93 -2.94 114.58 120.20 1tqj h GLU 169 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1tqj h GLU 169 Cb 0.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1tqj h GLU 169 CO -0.03 0.36 -0.41 0.54 -1.00 0.00 0.00 179.01 178.47 1tqj n ARG 170 N -4.32 1.07 -1.82 2.33 1.74 -0.93 -4.96 116.66 109.77 1tqj n ARG 170 Ca -0.00 -0.82 -0.07 0.00 -0.77 0.00 0.00 57.85 56.19 1tqj n ARG 170 Cb 0.23 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.18 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 1.39 0.36 3.86 -0.13 0.00 -0.56 -5.04 105.19 105.07 1tqj n GLY 171 Ca 0.10 -0.64 -0.22 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.85 3.93 -0.38 0.99 1.43 -0.37 -5.04 118.68 117.40 1tqj s LEU 172 Ca 0.00 -0.18 0.12 0.00 -1.03 0.00 0.00 54.13 53.04 1tqj s LEU 172 Cb 0.00 -2.46 0.40 0.00 0.03 0.00 0.00 46.19 44.16 1tqj s LEU 172 CO 0.00 -0.05 1.11 -0.67 0.23 0.00 0.00 176.35 176.97 1tqj n ASP 173 N -1.23 -0.52 -4.75 2.29 2.03 -1.26 -4.36 116.55 108.74 1tqj n ASP 173 Ca -0.08 -2.80 -0.33 0.00 0.52 0.00 0.00 54.79 52.10 1tqj n ASP 173 Cb 0.58 0.44 0.07 0.00 -0.72 0.00 0.00 41.12 41.49 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 -1.22 2.42 0.32 -0.67 0.04 -1.26 -4.96 135.00 129.67 1tqj s PRO 174 Ca 0.26 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.48 1tqj s PRO 174 Cb 0.40 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.91 1tqj s PRO 174 CO -0.04 -1.56 1.28 0.91 0.04 0.00 0.00 177.00 177.63 1tqj n TRP 175 N -2.79 2.16 -3.74 0.56 7.02 -0.71 -4.84 117.44 115.09 1tqj n TRP 175 Ca 0.11 0.55 -0.37 0.00 -1.02 0.00 0.00 57.50 56.77 1tqj n TRP 175 Cb 0.52 -2.40 -0.11 0.00 -2.42 0.00 0.00 31.31 26.89 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 -0.94 3.42 0.01 -0.99 1.01 -1.26 -0.81 121.20 121.64 1tqj s ILE 176 Ca 0.58 -2.02 -0.05 0.00 0.00 0.00 0.00 60.65 59.16 1tqj s ILE 176 Cb -0.59 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1tqj s ILE 176 CO 0.60 -0.71 0.23 -0.70 0.00 0.00 0.00 174.94 174.37 1tqj s GLU 177 N 1.17 3.51 -0.02 2.79 2.12 0.31 -0.98 118.70 127.60 1tqj s GLU 177 Ca 0.08 -0.20 0.03 0.00 0.36 0.00 0.00 54.97 55.24 1tqj s GLU 177 Cb -0.23 -3.08 -0.00 0.00 0.26 0.00 0.00 34.13 31.08 1tqj s GLU 177 CO -0.04 0.65 -0.09 0.08 -0.54 0.00 0.00 175.26 175.33 1tqj s VAL 178 N -1.33 0.71 -0.05 3.70 1.01 -0.51 -0.55 120.40 123.38 1tqj s VAL 178 Ca 0.28 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1tqj s VAL 178 Cb -0.13 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.66 1tqj s VAL 178 CO 0.18 0.21 0.03 -0.62 0.00 0.00 0.00 175.10 174.91 1tqj s ASP 179 N 0.01 1.29 0.00 3.32 2.15 -1.03 -1.54 116.67 120.87 1tqj s ASP 179 Ca 0.00 0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.99 1tqj s ASP 179 Cb -0.06 -0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.29 1tqj s ASP 179 CO -0.00 -0.22 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 1tqj n GLY 180 N 5.19 2.56 2.24 2.66 0.00 -1.26 -0.77 105.19 115.81 1tqj n GLY 180 Ca -0.06 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 0.82 3.80 -0.02 0.00 -1.26 -4.26 105.19 104.27 1tqj n GLY 181 Ca 0.00 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.23 4.37 0.19 0.99 1.43 -1.26 -4.46 118.68 117.71 1tqj s LEU 182 Ca 0.00 0.71 -0.09 0.00 -1.03 0.00 0.00 54.13 53.72 1tqj s LEU 182 Cb 0.00 -2.43 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1tqj s LEU 182 CO 0.00 0.24 0.30 -0.54 0.23 0.00 0.00 176.35 176.59 1tqj s LYS 183 N -0.44 1.24 0.47 1.70 1.02 -1.26 -4.48 119.74 117.99 1tqj s LYS 183 Ca 0.20 -1.25 0.24 0.00 0.02 0.00 0.00 55.97 55.18 1tqj s LYS 183 Cb -0.14 0.38 1.27 0.00 -0.52 0.00 0.00 37.83 38.82 1tqj s LYS 183 CO 0.08 -0.46 1.85 -1.35 -0.92 0.00 0.00 175.35 174.55 1tqj h PRO 184 N 2.50 0.22 0.00 -1.68 0.11 -1.87 -1.58 132.00 129.69 1tqj h PRO 184 Ca -0.31 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.67 1tqj h PRO 184 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1tqj h PRO 184 CO 0.46 0.14 -0.55 -2.95 -0.21 0.00 0.00 178.00 174.90 1tqj h ASN 185 N 0.22 0.00 0.00 -2.05 -1.07 -1.95 -3.37 115.58 107.37 1tqj h ASN 185 Ca 0.48 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.85 1tqj h ASN 185 Cb 1.50 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.75 1tqj h ASN 185 CO -0.12 0.55 0.00 -0.46 0.07 0.00 0.00 177.43 177.47 1tqj n ASN 186 N -3.44 0.55 0.23 6.14 6.94 -1.00 -4.72 115.26 119.97 1tqj n ASN 186 Ca 0.00 -0.81 0.06 0.00 -0.02 0.00 0.00 54.58 53.82 1tqj n ASN 186 Cb 0.67 0.26 0.55 0.00 -2.36 0.00 0.00 39.78 38.89 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 0.13 1.08 -1.21 5.53 2.02 -1.46 -2.12 112.91 116.89 1tqj h THR 187 Ca 0.00 -0.45 0.36 0.00 0.77 0.00 0.00 66.41 67.09 1tqj h THR 187 Cb 0.07 1.24 -0.10 0.00 -1.74 0.00 0.00 68.15 67.62 1tqj h THR 187 CO 0.00 0.13 0.80 4.11 0.37 0.00 0.00 175.52 180.93 1tqj h TRP 188 N 0.00 0.48 -0.66 3.16 5.08 -1.84 -1.31 115.95 120.86 1tqj h TRP 188 Ca -0.00 0.02 0.02 0.00 1.08 0.00 0.00 58.89 60.01 1tqj h TRP 188 Cb 0.23 -0.13 -0.04 0.00 -3.00 0.00 0.00 29.16 26.23 1tqj h TRP 188 CO 0.00 -0.05 0.42 1.96 -1.28 0.00 0.00 178.44 179.48 1tqj h GLN 189 N 0.20 0.81 0.00 0.12 4.20 -1.75 -0.33 115.11 118.36 1tqj h GLN 189 Ca 0.69 -0.05 -0.21 0.00 0.06 0.00 0.00 58.65 59.14 1tqj h GLN 189 Cb 2.13 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 29.70 1tqj h GLN 189 CO -0.29 0.53 -0.99 -0.39 -0.67 0.00 0.00 178.83 177.03 1tqj h VAL 190 N 0.83 1.71 -0.49 -0.54 -1.51 -1.46 -2.89 116.25 111.91 1tqj h VAL 190 Ca 0.26 -3.39 -0.06 0.00 -1.23 0.00 0.00 66.70 62.27 1tqj h VAL 190 Cb -0.02 2.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.95 1tqj h VAL 190 CO -0.09 0.97 0.06 -0.07 -1.23 0.00 0.00 177.57 177.21 1tqj h LEU 191 N 0.00 0.79 -1.37 4.19 3.38 -1.14 -0.57 115.31 120.59 1tqj h LEU 191 Ca -0.01 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1tqj h LEU 191 Cb 1.75 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1tqj h LEU 191 CO 0.13 0.87 -0.06 -0.33 0.09 0.00 0.00 178.44 179.13 1tqj h GLU 192 N 0.69 0.34 0.00 1.13 5.08 -1.14 -2.45 114.58 118.24 1tqj h GLU 192 Ca 0.15 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1tqj h GLU 192 Cb 0.42 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1tqj h GLU 192 CO 0.01 0.42 0.00 0.00 -1.00 0.00 0.00 179.01 178.45 1tqj h ALA 193 N 1.61 1.00 0.00 3.43 0.00 -1.31 -3.47 119.26 120.52 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 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 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 0.64 1.20 3.78 0.00 0.00 -0.91 -3.40 105.19 106.50 1tqj n GLY 194 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.94 3.07 0.00 4.61 0.00 -0.27 -4.85 121.76 122.38 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 -0.34 0.52 0.27 0.00 0.00 0.00 175.76 176.21 1tqj n ASN 196 N -0.14 0.69 -3.81 0.00 0.23 -0.16 -4.46 115.26 107.62 1tqj n ASN 196 Ca 0.05 -1.26 -0.22 0.00 -0.53 0.00 0.00 54.58 52.63 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 -0.26 0.66 -0.19 -2.53 0.00 -0.70 -0.92 121.76 117.82 1tqj s ALA 197 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 51.96 51.86 1tqj s ALA 197 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1tqj s ALA 197 CO 0.00 -0.29 -0.12 0.42 0.00 0.00 0.00 175.76 175.77 1tqj s ILE 198 N 1.56 2.81 -0.13 0.00 -1.09 0.19 -1.42 121.20 123.12 1tqj s ILE 198 Ca -0.01 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 57.55 1tqj s ILE 198 Cb -0.13 -2.23 -0.04 0.00 -1.58 0.00 0.00 42.46 38.48 1tqj s ILE 198 CO -0.03 0.49 0.40 -0.69 -1.23 0.00 0.00 174.94 173.88 1tqj s VAL 199 N 1.17 5.23 0.02 2.92 1.01 -0.59 -0.95 120.40 129.22 1tqj s VAL 199 Ca 0.02 0.79 0.01 0.00 0.00 0.00 0.00 61.98 62.80 1tqj s VAL 199 Cb -0.14 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1tqj s VAL 199 CO -0.05 0.36 -0.06 0.00 0.00 0.00 0.00 175.10 175.36 1tqj s ALA 200 N 0.48 0.41 0.00 5.51 0.00 -1.22 -4.43 121.76 122.51 1tqj s ALA 200 Ca 0.22 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1tqj s ALA 200 Cb -0.14 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1tqj s ALA 200 CO 0.08 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.24 1tqj n GLY 201 N 2.00 0.37 0.23 0.00 0.00 -1.26 -0.85 105.19 105.68 1tqj n GLY 201 Ca -0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 0.01 0.01 1.61 4.64 -1.89 -0.90 113.55 117.03 1tqj h SER 202 Ca 0.00 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1tqj h SER 202 Cb 0.00 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1tqj h SER 202 CO 0.00 0.16 -0.00 0.00 -0.87 0.00 0.00 176.83 176.12 1tqj h ALA 203 N 1.84 1.63 0.00 5.18 0.00 -1.89 -1.10 119.26 124.92 1tqj h ALA 203 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1tqj h ALA 203 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1tqj h ALA 203 CO 0.02 0.00 -0.58 0.28 0.00 0.00 0.00 179.25 178.98 1tqj n VAL 204 N -4.00 1.30 0.27 0.00 0.31 -0.50 -4.33 118.33 111.38 1tqj n VAL 204 Ca -0.03 0.23 0.17 0.00 -0.01 0.00 0.00 64.34 64.69 1tqj n VAL 204 Cb 0.09 -2.30 0.68 0.00 -0.91 0.00 0.00 33.84 31.40 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 -0.90 0.00 -0.52 3.52 0.04 -1.17 -2.07 116.94 115.84 1tqj h PHE 205 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1tqj h PHE 205 Cb 0.58 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1tqj h PHE 205 CO -0.25 0.02 0.00 0.09 -0.60 0.00 0.00 178.31 177.58 1tqj n ASN 206 N -3.13 3.60 -4.85 2.17 3.02 -0.42 -4.95 115.26 110.70 1tqj n ASN 206 Ca 0.00 -1.99 -0.32 0.00 -0.03 0.00 0.00 54.58 52.24 1tqj n ASN 206 Cb 0.31 -0.34 -0.04 0.00 -0.61 0.00 0.00 39.78 39.10 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 -1.31 3.11 0.26 5.41 0.00 -0.78 -5.00 121.76 123.46 1tqj s ALA 207 Ca 0.43 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.56 1tqj s ALA 207 Cb 0.24 -3.05 0.35 0.00 0.00 0.00 0.00 23.12 20.66 1tqj s ALA 207 CO 0.32 -0.15 1.65 -1.00 0.00 0.00 0.00 175.76 176.58 1tqj h PRO 208 N 1.10 0.35 -3.89 0.00 0.13 -1.93 -3.41 132.00 124.35 1tqj h PRO 208 Ca -0.47 -0.18 -0.55 0.00 -0.87 0.00 0.00 66.00 63.93 1tqj h PRO 208 Cb 1.18 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.93 1tqj h PRO 208 CO 0.62 0.72 -0.77 1.21 -0.23 0.00 0.00 178.00 179.55 1tqj s ASN 209 N -6.87 3.21 0.31 1.44 3.84 -1.26 -5.02 114.94 110.59 1tqj s ASN 209 Ca -0.05 -0.92 0.03 0.00 0.21 0.00 0.00 52.86 52.13 1tqj s ASN 209 Cb 0.13 -0.83 0.52 0.00 -0.55 0.00 0.00 41.25 40.52 1tqj s ASN 209 CO 0.79 -0.27 1.84 1.88 -2.79 0.00 0.00 177.10 178.55 1tqj h TYR 210 N 8.13 0.61 -0.56 0.43 0.05 -1.84 -2.41 116.97 121.38 1tqj h TYR 210 Ca -0.18 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.47 1tqj h TYR 210 Cb 1.10 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 38.65 1tqj h TYR 210 CO 0.38 0.60 0.10 0.00 -1.05 0.00 0.00 178.16 178.19 1tqj h ALA 211 N 1.43 0.74 -0.14 3.88 0.00 -1.92 0.36 119.26 123.60 1tqj h ALA 211 Ca 0.11 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1tqj h ALA 211 Cb 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1tqj h ALA 211 CO 0.01 0.47 -0.41 0.93 0.00 0.00 0.00 179.25 180.26 1tqj h GLU 212 N 0.81 0.32 -0.21 0.00 5.08 -1.82 -1.42 114.58 117.34 1tqj h GLU 212 Ca 0.17 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1tqj h GLU 212 Cb 0.40 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 1tqj h GLU 212 CO 0.01 0.68 -0.22 0.00 -1.00 0.00 0.00 179.01 178.48 1tqj h ALA 213 N 1.30 0.31 -0.31 3.43 0.00 -1.04 -0.62 119.26 122.33 1tqj h ALA 213 Ca 0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1tqj h ALA 213 Cb 0.84 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1tqj h ALA 213 CO 0.07 0.26 0.20 0.82 0.00 0.00 0.00 179.25 180.60 1tqj h ILE 214 N 0.20 1.08 -0.93 0.00 2.04 -0.81 -1.04 117.51 118.05 1tqj h ILE 214 Ca 0.03 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.76 1tqj h ILE 214 Cb 0.78 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 1tqj h ILE 214 CO 0.05 0.08 0.61 0.00 0.00 0.00 0.00 178.15 178.89 1tqj h ALA 215 N 1.11 1.36 -0.54 1.87 0.00 -1.24 -0.70 119.26 121.12 1tqj h ALA 215 Ca 0.11 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1tqj h ALA 215 Cb -0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 1tqj h ALA 215 CO -0.03 0.59 0.14 0.78 0.00 0.00 0.00 179.25 180.73 1tqj h GLY 216 N 1.23 0.89 0.52 0.00 0.00 -0.56 0.26 103.07 105.42 1tqj h GLY 216 Ca 0.35 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.16 1tqj h GLY 216 CO -0.08 0.48 -0.01 -2.08 0.00 0.00 0.00 176.54 174.84 1tqj h VAL 217 N 0.80 1.32 -0.72 4.60 2.07 -0.79 -2.84 116.25 120.69 1tqj h VAL 217 Ca 0.18 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.63 1tqj h VAL 217 Cb 0.29 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1tqj h VAL 217 CO -0.00 0.28 0.48 -0.09 0.02 0.00 0.00 177.57 178.25 1tqj h ARG 218 N -0.51 0.84 -0.38 1.57 2.43 -0.85 -2.85 114.38 114.61 1tqj h ARG 218 Ca -0.00 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 1tqj h ARG 218 Cb 0.48 -0.19 -0.09 0.00 -0.42 0.00 0.00 29.97 29.76 1tqj h ARG 218 CO 0.01 0.55 0.02 0.09 -1.51 0.00 0.00 179.97 179.13 1tqj n ASN 219 N -4.46 3.18 -4.74 -3.80 3.02 0.06 -5.01 115.26 103.50 1tqj n ASN 219 Ca 0.09 -3.47 -0.41 0.00 -0.03 0.00 0.00 54.58 50.76 1tqj n ASN 219 Cb 0.13 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.66 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 -2.16 6.62 0.04 6.41 0.15 -1.07 -4.97 113.70 118.72 1tqj s SER 220 Ca 0.45 2.69 0.02 0.00 0.70 0.00 0.00 55.95 59.82 1tqj s SER 220 Cb 0.39 -2.62 -0.02 0.00 -1.71 0.00 0.00 66.02 62.05 1tqj s SER 220 CO 0.04 -0.73 -0.08 -0.54 1.20 0.00 0.00 173.24 173.14 1tqj s LYS 221 N -0.34 0.55 0.09 5.44 1.02 -1.26 -4.21 119.74 121.03 1tqj s LYS 221 Ca 0.60 -0.78 -0.34 0.00 0.02 0.00 0.00 55.97 55.46 1tqj s LYS 221 Cb -0.43 -0.31 -0.19 0.00 -0.52 0.00 0.00 37.83 36.39 1tqj s LYS 221 CO 0.43 0.05 0.82 -2.13 -0.92 0.00 0.00 175.35 173.61 1tqj n ARG 222 N 1.41 0.00 -2.30 1.68 0.63 -1.26 -4.84 116.66 111.98 1tqj n ARG 222 Ca -0.22 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.29 1tqj n ARG 222 Cb 0.55 -1.27 -0.03 0.00 0.45 0.00 0.00 32.46 32.15 1tqj n ARG 222 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1tqj s PRO 223 N -0.44 4.45 0.00 -0.14 0.04 -1.26 -5.16 135.00 132.48 1tqj s PRO 223 Ca 0.79 1.97 0.05 0.00 0.04 0.00 0.00 61.00 63.84 1tqj s PRO 223 Cb -1.11 -3.21 0.04 0.00 0.04 0.00 0.00 34.50 30.26 1tqj s PRO 223 CO 0.56 -0.15 0.66 0.39 0.04 0.00 0.00 177.00 178.50