#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 4.99 0.12 4.39 0.01 -1.26 -5.04 114.94 118.15 1tqj s ASN 4 Ca 0.00 0.12 -0.30 0.00 -0.71 0.00 0.00 52.86 51.97 1tqj s ASN 4 Cb 0.00 -0.86 -0.07 0.00 0.41 0.00 0.00 41.25 40.73 1tqj s ASN 4 CO 0.00 -1.40 1.19 -0.63 -1.51 0.00 0.00 177.10 174.75 1tqj s ILE 5 N -2.99 3.83 -0.07 0.60 1.01 -1.26 -4.88 121.20 117.44 1tqj s ILE 5 Ca 0.59 1.43 -0.01 0.00 0.00 0.00 0.00 60.65 62.67 1tqj s ILE 5 Cb -0.10 -3.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.43 1tqj s ILE 5 CO 0.41 0.17 -0.02 -0.69 0.00 0.00 0.00 174.94 174.82 1tqj s VAL 6 N 0.46 4.10 -0.14 2.92 1.01 -0.23 -5.02 120.40 123.50 1tqj s VAL 6 Ca 0.55 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.19 1tqj s VAL 6 Cb -0.31 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 1tqj s VAL 6 CO 0.33 0.59 -0.15 -0.69 0.00 0.00 0.00 175.10 175.18 1tqj s VAL 7 N -0.87 2.76 -0.50 2.92 1.01 -1.26 -0.88 120.40 123.58 1tqj s VAL 7 Ca 0.13 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1tqj s VAL 7 Cb -0.11 -2.16 0.14 0.00 0.00 0.00 0.00 36.38 34.25 1tqj s VAL 7 CO 0.02 0.52 0.29 0.00 0.00 0.00 0.00 175.10 175.94 1tqj s ALA 8 N 0.64 2.69 0.31 5.51 0.00 0.80 -1.42 121.76 130.29 1tqj s ALA 8 Ca -0.08 -2.98 -0.29 0.00 0.00 0.00 0.00 51.96 48.61 1tqj s ALA 8 Cb -0.16 -1.99 -0.12 0.00 0.00 0.00 0.00 23.12 20.85 1tqj s ALA 8 CO 0.03 -2.05 1.48 -2.30 0.00 0.00 0.00 175.76 172.91 1tqj n PRO 9 N 3.12 2.47 -2.79 0.00 -0.02 -1.22 -3.40 135.00 133.16 1tqj n PRO 9 Ca 0.11 0.87 -0.43 0.00 -2.02 0.00 0.00 63.50 62.03 1tqj n PRO 9 Cb 0.35 -2.58 -0.04 0.00 -0.02 0.00 0.00 33.50 31.21 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 0.15 6.55 0.57 2.55 0.15 -0.05 -0.98 113.70 122.64 1tqj s SER 10 Ca 0.60 0.25 0.37 0.00 0.70 0.00 0.00 55.95 57.87 1tqj s SER 10 Cb -0.53 -2.47 1.73 0.00 -1.71 0.00 0.00 66.02 63.05 1tqj s SER 10 CO 0.55 -1.04 2.10 -0.29 1.20 0.00 0.00 173.24 175.76 1tqj h ILE 11 N 6.05 0.00 -0.60 6.45 6.09 -1.58 -1.91 117.51 132.02 1tqj h ILE 11 Ca -0.24 -0.29 0.17 0.00 -1.37 0.00 0.00 64.86 63.13 1tqj h ILE 11 Cb 1.07 1.26 -0.02 0.00 0.47 0.00 0.00 36.82 39.60 1tqj h ILE 11 CO 1.03 0.00 0.51 -0.07 -3.07 0.00 0.00 178.15 176.56 1tqj h LEU 12 N 0.00 0.00 -0.46 2.19 3.38 -1.92 -0.14 115.31 118.35 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 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1tqj h LEU 12 CO 0.00 0.00 -0.12 -1.20 0.09 0.00 0.00 178.44 177.21 1tqj n SER 13 N -3.99 0.84 -4.94 -0.43 7.64 -0.72 -4.95 113.62 107.07 1tqj n SER 13 Ca 0.12 -0.92 -0.24 0.00 1.01 0.00 0.00 58.87 58.84 1tqj n SER 13 Cb 0.75 0.02 0.05 0.00 -1.01 0.00 0.00 64.21 64.01 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 -2.34 3.45 -0.68 -0.43 0.00 -0.07 -4.81 121.76 116.89 1tqj s ALA 14 Ca 0.31 -1.02 -0.27 0.00 0.00 0.00 0.00 51.96 50.98 1tqj s ALA 14 Cb 0.20 -2.41 0.03 0.00 0.00 0.00 0.00 23.12 20.95 1tqj s ALA 14 CO 0.45 -0.98 1.26 0.34 0.00 0.00 0.00 175.76 176.83 1tqj s ASP 15 N -4.43 6.25 0.00 0.00 3.68 -1.26 -4.89 116.67 116.02 1tqj s ASP 15 Ca 0.57 -0.25 0.15 0.00 2.13 0.00 0.00 52.55 55.16 1tqj s ASP 15 Cb -0.11 -2.56 0.71 0.00 -1.45 0.00 0.00 42.92 39.52 1tqj s ASP 15 CO 0.42 -1.72 1.46 0.49 0.13 0.00 0.00 175.17 175.95 1tqj n PHE 16 N 9.10 0.00 0.23 -5.34 3.01 -1.26 -1.74 117.46 121.46 1tqj n PHE 16 Ca 0.05 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.64 1tqj n PHE 16 Cb 0.49 -0.39 0.30 0.00 -0.01 0.00 0.00 39.48 39.86 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 -1.55 4.37 4.64 -2.04 -3.36 113.55 115.61 1tqj h SER 17 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 1tqj h SER 17 Cb 0.20 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 61.89 1tqj h SER 17 CO 0.00 0.01 -1.06 0.54 -0.87 0.00 0.00 176.83 175.45 1tqj n ARG 18 N -3.10 1.72 -0.11 4.77 1.74 -0.71 -4.98 116.66 115.98 1tqj n ARG 18 Ca 0.03 -3.69 -0.06 0.00 -0.77 0.00 0.00 57.85 53.36 1tqj n ARG 18 Cb 0.48 -1.67 0.12 0.00 -1.02 0.00 0.00 32.46 30.37 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 2.93 0.80 -0.48 0.55 5.85 -1.70 -2.06 115.31 121.21 1tqj h LEU 19 Ca 0.05 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1tqj h LEU 19 Cb 0.99 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1tqj h LEU 19 CO 0.60 0.91 0.25 1.23 -0.34 0.00 0.00 178.44 181.09 1tqj h GLY 20 N 0.98 0.67 1.17 3.75 0.00 -1.93 -0.66 103.07 107.04 1tqj h GLY 20 Ca 0.13 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1tqj h GLY 20 CO 0.03 0.13 0.16 0.83 0.00 0.00 0.00 176.54 177.69 1tqj h GLU 21 N 0.50 1.03 -0.43 4.80 5.08 -1.81 -1.78 114.58 121.97 1tqj h GLU 21 Ca 0.20 -0.23 -0.12 0.00 -1.00 0.00 0.00 59.36 58.21 1tqj h GLU 21 Cb 0.09 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1tqj h GLU 21 CO -0.13 0.91 -0.22 0.93 -1.00 0.00 0.00 179.01 179.51 1tqj h GLU 22 N 0.99 0.91 -0.15 2.33 4.39 -0.81 -0.36 114.58 121.88 1tqj h GLU 22 Ca 0.21 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.49 1tqj h GLU 22 Cb 0.34 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 1tqj h GLU 22 CO 0.00 1.05 0.03 0.82 -1.16 0.00 0.00 179.01 179.76 1tqj h ILE 23 N 0.73 1.20 -0.47 3.13 1.08 -1.00 -0.42 117.51 121.76 1tqj h ILE 23 Ca 0.09 -0.63 0.02 0.00 -0.39 0.00 0.00 64.86 63.95 1tqj h ILE 23 Cb 0.79 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 35.85 1tqj h ILE 23 CO 0.06 0.19 0.29 0.11 -0.69 0.00 0.00 178.15 178.11 1tqj h LYS 24 N 0.04 0.57 -0.44 2.37 1.57 -1.26 -1.57 116.57 117.85 1tqj h LYS 24 Ca 0.05 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1tqj h LYS 24 Cb 0.26 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1tqj h LYS 24 CO 0.00 0.37 0.17 0.00 -0.57 0.00 0.00 179.45 179.43 1tqj h ALA 25 N 1.20 0.57 -0.06 3.86 0.00 -0.94 -1.53 119.26 122.37 1tqj h ALA 25 Ca 0.18 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 1tqj h ALA 25 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1tqj h ALA 25 CO -0.07 0.18 -0.69 -0.39 0.00 0.00 0.00 179.25 178.27 1tqj h VAL 26 N 0.57 1.41 0.39 0.00 -1.51 -0.87 -1.71 116.25 114.52 1tqj h VAL 26 Ca 0.15 -2.16 -0.01 0.00 -1.23 0.00 0.00 66.70 63.45 1tqj h VAL 26 Cb 0.20 2.13 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 1tqj h VAL 26 CO -0.01 0.64 -0.28 -0.78 -1.23 0.00 0.00 177.57 175.91 1tqj h ASP 27 N 0.19 -0.72 -0.05 4.19 1.82 -1.26 -1.55 116.42 119.04 1tqj h ASP 27 Ca -0.02 0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1tqj h ASP 27 Cb 1.24 0.23 -0.00 0.00 0.68 0.00 0.00 39.33 41.47 1tqj h ASP 27 CO 0.11 -0.43 0.02 -0.33 -1.61 0.00 0.00 179.24 177.00 1tqj h GLU 28 N -0.66 0.09 0.00 0.28 5.08 -1.26 -1.36 114.58 116.75 1tqj h GLU 28 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1tqj h GLU 28 Cb 0.56 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1tqj h GLU 28 CO 0.01 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.11 1tqj n ALA 29 N -2.52 2.35 0.00 3.43 0.00 -0.65 -4.90 120.51 118.22 1tqj n ALA 29 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1tqj n ALA 29 Cb 0.11 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.13 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 0.86 1.07 3.68 0.00 0.00 -0.51 -4.26 105.19 106.02 1tqj n GLY 30 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.75 1.08 -0.02 4.61 0.00 -0.60 -4.90 120.51 118.94 1tqj n ALA 31 Ca 0.00 0.37 -0.18 0.00 0.00 0.00 0.00 53.44 53.62 1tqj n ALA 31 Cb 0.00 -2.22 -0.13 0.00 0.00 0.00 0.00 19.45 17.09 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 2.47 0.22 -3.85 0.00 3.32 -1.58 -3.45 116.42 113.55 1tqj h ASP 32 Ca -0.45 -0.90 -0.36 0.00 0.02 0.00 0.00 57.03 55.34 1tqj h ASP 32 Cb 1.29 -0.07 -0.14 0.00 0.22 0.00 0.00 39.33 40.62 1tqj h ASP 32 CO 0.62 1.30 -0.69 0.26 -1.72 0.00 0.00 179.24 179.01 1tqj s TRP 33 N -2.35 1.42 -0.21 4.55 0.51 -1.15 -3.68 118.94 118.02 1tqj s TRP 33 Ca -0.19 -0.80 -0.06 0.00 -2.12 0.00 0.00 56.10 52.93 1tqj s TRP 33 Cb 0.01 -0.76 -0.03 0.00 -0.81 0.00 0.00 33.47 31.88 1tqj s TRP 33 CO 0.74 0.06 0.03 0.42 -0.51 0.00 0.00 176.95 177.69 1tqj s ILE 34 N -3.33 4.18 -0.22 2.03 -1.09 0.01 -3.39 121.20 119.40 1tqj s ILE 34 Ca 0.22 -0.23 -0.11 0.00 -2.23 0.00 0.00 60.65 58.30 1tqj s ILE 34 Cb 0.03 -2.91 -0.05 0.00 -1.58 0.00 0.00 42.46 37.95 1tqj s ILE 34 CO 0.04 0.40 0.19 -2.28 -1.23 0.00 0.00 174.94 172.06 1tqj s HIS 35 N 1.13 3.35 -0.19 3.97 5.65 -0.16 -0.57 115.29 128.47 1tqj s HIS 35 Ca 0.03 0.31 0.01 0.00 0.25 0.00 0.00 55.06 55.67 1tqj s HIS 35 Cb -0.14 -2.28 0.03 0.00 -1.18 0.00 0.00 32.58 29.01 1tqj s HIS 35 CO 0.02 0.11 -0.16 0.08 -0.65 0.00 0.00 174.74 174.14 1tqj s VAL 36 N 0.92 1.95 -0.29 0.89 1.01 0.14 -1.41 120.40 123.61 1tqj s VAL 36 Ca 0.09 -1.05 -0.10 0.00 0.00 0.00 0.00 61.98 60.92 1tqj s VAL 36 Cb -0.13 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1tqj s VAL 36 CO 0.04 0.36 0.16 -1.81 0.00 0.00 0.00 175.10 173.84 1tqj s ASP 37 N 1.29 5.70 -0.26 3.32 1.01 -1.26 -0.97 116.67 125.50 1tqj s ASP 37 Ca 0.01 -0.27 -0.10 0.00 0.71 0.00 0.00 52.55 52.90 1tqj s ASP 37 Cb -0.15 -2.05 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 1tqj s ASP 37 CO -0.10 -0.12 0.15 -0.69 0.21 0.00 0.00 175.17 174.61 1tqj s VAL 38 N 1.68 5.01 -0.03 -1.27 1.01 -0.33 -4.47 120.40 122.00 1tqj s VAL 38 Ca 0.06 0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1tqj s VAL 38 Cb -0.16 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.85 1tqj s VAL 38 CO 0.08 0.30 -0.12 -0.04 0.00 0.00 0.00 175.10 175.32 1tqj s MET 39 N 1.57 1.15 0.00 2.72 -1.94 -1.26 0.32 119.30 121.86 1tqj s MET 39 Ca 0.07 -0.41 0.13 0.00 -1.71 0.00 0.00 55.69 53.76 1tqj s MET 39 Cb -0.15 -1.06 0.30 0.00 2.01 0.00 0.00 34.83 35.93 1tqj s MET 39 CO 0.08 0.18 1.22 -0.40 -0.01 0.00 0.00 175.02 176.09 1tqj n ASP 40 N 3.12 2.88 0.00 3.03 5.75 -1.23 -1.56 116.55 128.54 1tqj n ASP 40 Ca -0.17 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.71 1tqj n ASP 40 Cb 0.54 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.71 0.27 0.33 6.12 0.00 0.36 -4.79 105.19 108.18 1tqj n GLY 41 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.37 0.40 0.10 1.61 5.12 -1.26 -4.53 116.66 116.72 1tqj n ARG 42 Ca 0.00 0.16 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 1tqj n ARG 42 Cb 0.13 -1.20 0.32 0.00 -1.16 0.00 0.00 32.46 30.54 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 -0.75 0.30 -4.01 -1.55 3.57 -1.87 -3.44 116.94 109.19 1tqj h PHE 43 Ca 0.00 -0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.26 1tqj h PHE 43 Cb 0.75 -0.08 -0.19 0.00 2.79 0.00 0.00 35.95 39.23 1tqj h PHE 43 CO -0.32 0.48 -0.70 0.14 -2.23 0.00 0.00 178.31 175.67 1tqj s VAL 44 N -4.55 0.33 -0.29 1.41 -7.23 -1.26 -5.01 120.40 103.79 1tqj s VAL 44 Ca -0.05 -1.28 -0.05 0.00 -1.81 0.00 0.00 61.98 58.78 1tqj s VAL 44 Cb 0.15 -0.81 -0.11 0.00 0.56 0.00 0.00 36.38 36.17 1tqj s VAL 44 CO 0.75 -0.62 3.20 -0.81 -0.31 0.00 0.00 175.10 177.31 1tqj n PRO 45 N 1.03 2.31 -3.68 4.82 -0.04 -1.26 -3.13 135.00 135.05 1tqj n PRO 45 Ca -0.20 -1.70 -0.14 0.00 -0.04 0.00 0.00 63.50 61.42 1tqj n PRO 45 Cb 0.57 -2.11 -0.08 0.00 -0.04 0.00 0.00 33.50 31.84 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 1.25 -0.51 -0.17 3.54 2.47 -1.26 -4.94 114.94 115.31 1tqj s ASN 46 Ca 0.63 0.88 -0.05 0.00 0.42 0.00 0.00 52.86 54.74 1tqj s ASN 46 Cb 0.34 0.89 -0.03 0.00 -1.45 0.00 0.00 41.25 41.00 1tqj s ASN 46 CO -0.10 -0.28 0.00 -0.63 -3.72 0.00 0.00 177.10 172.37 1tqj s ILE 47 N -0.16 4.23 0.00 -5.21 1.01 -1.26 -0.49 121.20 119.32 1tqj s ILE 47 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1tqj s ILE 47 Cb -0.03 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.56 1tqj s ILE 47 CO 0.03 0.48 0.00 0.35 0.00 0.00 0.00 174.94 175.79 1tqj n THR 48 N 3.58 0.00 -3.83 2.92 -2.24 -0.60 -4.96 114.28 109.15 1tqj n THR 48 Ca -0.17 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1tqj n THR 48 Cb 0.52 -0.08 -0.11 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 0.34 0.03 0.00 2.28 -4.36 -1.26 -4.96 121.20 113.26 1tqj s ILE 49 Ca 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 60.65 60.17 1tqj s ILE 49 Cb 0.00 -0.32 0.00 0.00 1.25 0.00 0.00 42.46 43.39 1tqj s ILE 49 CO 0.00 -0.12 0.00 0.61 0.24 0.00 0.00 174.94 175.67 1tqj n GLY 50 N 2.48 3.14 0.44 6.27 0.00 -1.26 -4.47 105.19 111.78 1tqj n GLY 50 Ca -0.16 -2.11 0.24 0.00 0.00 0.00 0.00 46.02 43.99 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 0.18 0.00 1.61 0.11 -1.99 -1.49 132.00 130.42 1tqj h PRO 51 Ca 0.00 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1tqj h PRO 51 Cb 0.00 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 1tqj h PRO 51 CO 0.00 0.12 -0.04 1.37 -0.21 0.00 0.00 178.00 179.24 1tqj h LEU 52 N 0.18 0.00 0.05 2.35 -0.00 -1.97 0.11 115.31 116.04 1tqj h LEU 52 Ca 0.45 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 58.06 1tqj h LEU 52 Cb 1.48 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 42.16 1tqj h LEU 52 CO -0.09 0.04 -1.19 0.40 -0.00 0.00 0.00 178.44 177.60 1tqj h ILE 53 N 0.00 1.37 -0.69 0.15 1.08 -1.64 -1.59 117.51 116.18 1tqj h ILE 53 Ca -0.00 -2.63 0.04 0.00 -0.39 0.00 0.00 64.86 61.88 1tqj h ILE 53 Cb 0.08 2.71 -0.05 0.00 -3.07 0.00 0.00 36.82 36.49 1tqj h ILE 53 CO 0.01 0.79 0.42 0.58 -0.69 0.00 0.00 178.15 179.25 1tqj h VAL 54 N 0.21 1.07 -0.94 1.67 2.07 -1.37 -1.45 116.25 117.50 1tqj h VAL 54 Ca -0.15 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1tqj h VAL 54 Cb 1.86 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.75 1tqj h VAL 54 CO 0.21 0.15 0.60 0.44 0.02 0.00 0.00 177.57 179.00 1tqj h ASP 55 N 0.82 0.98 -0.28 0.57 3.32 -0.70 -1.19 116.42 119.93 1tqj h ASP 55 Ca 0.28 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.23 1tqj h ASP 55 Cb 0.05 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1tqj h ASP 55 CO -0.12 0.65 -0.20 0.00 -1.72 0.00 0.00 179.24 177.84 1tqj h ALA 56 N 1.41 0.92 -0.04 3.45 0.00 -0.61 -3.16 119.26 121.23 1tqj h ALA 56 Ca 0.39 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1tqj h ALA 56 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1tqj h ALA 56 CO -0.15 0.62 -0.89 0.82 0.00 0.00 0.00 179.25 179.65 1tqj h ILE 57 N 0.66 1.36 -0.54 0.00 2.04 -0.92 -3.39 117.51 116.72 1tqj h ILE 57 Ca 0.10 -2.29 0.09 0.00 1.00 0.00 0.00 64.86 63.76 1tqj h ILE 57 Cb 0.70 2.28 -0.07 0.00 -0.74 0.00 0.00 36.82 38.99 1tqj h ILE 57 CO 0.05 0.69 0.15 -0.09 0.00 0.00 0.00 178.15 178.95 1tqj h ARG 58 N 0.30 0.29 0.00 2.37 9.65 -1.19 -0.24 114.38 125.57 1tqj h ARG 58 Ca -0.07 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 1tqj h ARG 58 Cb 1.51 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 30.02 1tqj h ARG 58 CO 0.16 0.19 0.00 -0.35 2.80 0.00 0.00 179.97 182.77 1tqj n PRO 59 N -5.07 0.06 0.07 0.20 -0.04 -1.26 -3.63 135.00 125.34 1tqj n PRO 59 Ca 0.07 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 1tqj n PRO 59 Cb 0.25 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.34 1tqj n PRO 59 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1tqj h LEU 60 N 0.00 0.00 -7.84 1.53 3.38 -1.27 -3.46 115.31 107.65 1tqj h LEU 60 Ca 0.00 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 1tqj h LEU 60 Cb 0.29 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 40.85 1tqj h LEU 60 CO 0.00 0.08 -0.51 0.28 0.09 0.00 0.00 178.44 178.38 1tqj s THR 61 N -3.21 0.11 -1.71 0.22 -1.32 -1.22 -4.75 115.64 103.75 1tqj s THR 61 Ca 0.05 -0.92 0.24 0.00 -1.21 0.00 0.00 61.69 59.85 1tqj s THR 61 Cb 0.12 -0.68 0.04 0.00 -1.51 0.00 0.00 72.50 70.48 1tqj s THR 61 CO 0.74 -0.50 1.23 0.29 -2.21 0.00 0.00 174.62 174.17 1tqj n LYS 62 N 1.07 0.81 -1.48 7.08 5.02 -1.26 -4.86 118.16 124.54 1tqj n LYS 62 Ca -0.21 -0.61 -0.32 0.00 -2.02 0.00 0.00 58.31 55.16 1tqj n LYS 62 Cb 0.57 -1.49 0.07 0.00 -0.02 0.00 0.00 35.03 34.16 1tqj n LYS 62 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1tqj s LYS 63 N -2.61 2.56 0.30 1.97 -0.14 -1.26 -4.95 119.74 115.61 1tqj s LYS 63 Ca 0.18 1.19 -0.29 0.00 -1.36 0.00 0.00 55.97 55.69 1tqj s LYS 63 Cb 0.18 -1.93 -0.10 0.00 -1.68 0.00 0.00 37.83 34.30 1tqj s LYS 63 CO 0.61 -1.41 1.30 -0.08 -0.76 0.00 0.00 175.35 175.01 1tqj s THR 64 N -2.76 2.85 -0.28 2.17 -1.32 -1.24 -4.82 115.64 110.24 1tqj s THR 64 Ca 0.62 0.82 -0.09 0.00 -1.21 0.00 0.00 61.69 61.82 1tqj s THR 64 Cb -0.17 -3.52 -0.03 0.00 -1.51 0.00 0.00 72.50 67.26 1tqj s THR 64 CO 0.51 0.18 0.14 -0.76 -2.21 0.00 0.00 174.62 172.48 1tqj s LEU 65 N -1.39 3.83 -0.38 9.08 1.43 -1.26 -0.80 118.68 129.19 1tqj s LEU 65 Ca 0.51 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 1tqj s LEU 65 Cb -0.39 -2.03 0.08 0.00 0.03 0.00 0.00 46.19 43.88 1tqj s LEU 65 CO 0.49 -0.07 0.16 -0.62 0.23 0.00 0.00 176.35 176.54 1tqj s ASP 66 N 1.68 5.31 -0.28 2.29 2.15 0.26 -0.76 116.67 127.33 1tqj s ASP 66 Ca 0.06 -1.58 -0.05 0.00 0.43 0.00 0.00 52.55 51.41 1tqj s ASP 66 Cb -0.16 -1.86 0.01 0.00 -0.30 0.00 0.00 42.92 40.61 1tqj s ASP 66 CO 0.07 -0.45 0.04 -0.69 -0.17 0.00 0.00 175.17 173.97 1tqj s VAL 67 N 1.29 3.65 -0.36 1.11 1.01 -0.37 -0.68 120.40 126.05 1tqj s VAL 67 Ca 0.02 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.07 1tqj s VAL 67 Cb -0.22 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 1tqj s VAL 67 CO -0.01 0.12 0.36 -2.28 0.00 0.00 0.00 175.10 173.29 1tqj s HIS 68 N 1.45 3.20 -0.70 5.22 2.46 -0.14 -1.04 115.29 125.74 1tqj s HIS 68 Ca 0.02 -0.15 -0.20 0.00 0.47 0.00 0.00 55.06 55.20 1tqj s HIS 68 Cb -0.17 -2.70 0.10 0.00 -0.13 0.00 0.00 32.58 29.69 1tqj s HIS 68 CO 0.00 -0.50 0.89 -0.51 -2.47 0.00 0.00 174.74 172.16 1tqj s LEU 69 N 2.00 5.05 -1.19 8.88 1.43 0.39 -1.19 118.68 134.05 1tqj s LEU 69 Ca 0.11 -1.49 -0.05 0.00 -1.03 0.00 0.00 54.13 51.67 1tqj s LEU 69 Cb -0.17 -2.36 0.22 0.00 0.03 0.00 0.00 46.19 43.91 1tqj s LEU 69 CO 0.12 -1.19 1.93 0.80 0.23 0.00 0.00 176.35 178.24 1tqj n MET 70 N 6.72 4.54 -3.95 1.70 1.56 0.15 -4.14 117.12 123.70 1tqj n MET 70 Ca 0.01 -4.00 -0.09 0.00 -0.27 0.00 0.00 57.70 53.35 1tqj n MET 70 Cb 0.45 -2.64 -0.10 0.00 2.15 0.00 0.00 33.22 33.09 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 -1.89 0.13 0.61 1.12 -4.36 -1.26 -3.47 121.20 112.08 1tqj s ILE 71 Ca 0.42 -1.09 -0.15 0.00 -0.26 0.00 0.00 60.65 59.57 1tqj s ILE 71 Cb 0.13 -0.80 -0.03 0.00 1.25 0.00 0.00 42.46 43.01 1tqj s ILE 71 CO -0.03 -0.60 1.05 0.68 0.24 0.00 0.00 174.94 176.27 1tqj s VAL 72 N -2.42 3.98 -1.35 8.37 -7.23 -1.26 -4.18 120.40 116.32 1tqj s VAL 72 Ca -0.07 0.86 -0.10 0.00 -1.81 0.00 0.00 61.98 60.86 1tqj s VAL 72 Cb -0.02 -3.45 0.01 0.00 0.56 0.00 0.00 36.38 33.48 1tqj s VAL 72 CO -0.04 -0.63 0.46 1.21 -0.31 0.00 0.00 175.10 175.79 1tqj n GLU 73 N -2.24 -1.90 0.27 4.82 2.13 -1.24 -4.82 120.64 117.67 1tqj n GLU 73 Ca 0.08 0.30 0.11 0.00 0.66 0.00 0.00 57.16 58.31 1tqj n GLU 73 Cb 0.53 -3.93 0.74 0.00 0.27 0.00 0.00 31.44 29.05 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 -1.98 0.00 -0.15 5.31 0.13 -1.76 -1.49 132.00 132.06 1tqj h PRO 74 Ca -0.66 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.52 1tqj h PRO 74 Cb 1.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.51 1tqj h PRO 74 CO 0.59 0.02 0.24 1.05 -0.23 0.00 0.00 178.00 179.67 1tqj h GLU 75 N 0.00 0.00 0.00 0.86 9.09 -1.91 -0.08 114.58 122.54 1tqj h GLU 75 Ca -0.00 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 1tqj h GLU 75 Cb 0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.13 1tqj h GLU 75 CO 0.00 0.00 -0.17 0.87 0.05 0.00 0.00 179.01 179.76 1tqj h LYS 76 N 0.00 0.00 -0.00 1.06 1.57 -1.62 -3.28 116.57 114.30 1tqj h LYS 76 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1tqj h LYS 76 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1tqj h LYS 76 CO -0.00 0.17 -0.00 0.66 -0.57 0.00 0.00 179.45 179.71 1tqj n TYR 77 N -3.96 0.00 -0.23 -1.35 4.02 -0.09 -4.74 117.16 110.81 1tqj n TYR 77 Ca -0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.81 1tqj n TYR 77 Cb 0.26 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.62 1tqj n TYR 77 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1tqj h VAL 78 N 0.06 1.16 -0.60 -0.72 2.07 -1.49 -1.63 116.25 115.10 1tqj h VAL 78 Ca 0.00 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 1tqj h VAL 78 Cb 0.01 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 1tqj h VAL 78 CO 0.00 0.16 0.22 -0.08 0.02 0.00 0.00 177.57 177.89 1tqj h GLU 79 N 0.87 0.91 -0.88 1.57 4.81 -1.85 -0.63 114.58 119.39 1tqj h GLU 79 Ca 0.23 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1tqj h GLU 79 Cb -0.10 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.09 1tqj h GLU 79 CO -0.05 0.79 0.57 -0.44 -0.73 0.00 0.00 179.01 179.16 1tqj h ASP 80 N 0.84 0.96 0.18 1.04 3.32 -1.76 -0.61 116.42 120.40 1tqj h ASP 80 Ca 0.20 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 57.04 1tqj h ASP 80 Cb 0.24 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1tqj h ASP 80 CO -0.01 0.67 -0.77 -0.26 -1.72 0.00 0.00 179.24 177.15 1tqj h PHE 81 N 1.13 0.67 -0.31 4.55 0.04 -0.95 -1.58 116.94 120.48 1tqj h PHE 81 Ca 0.34 -0.30 0.01 0.00 2.80 0.00 0.00 57.97 60.82 1tqj h PHE 81 Cb -0.04 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 37.99 1tqj h PHE 81 CO -0.02 1.09 0.18 0.00 -0.60 0.00 0.00 178.31 178.96 1tqj h ALA 82 N 0.83 0.39 -0.56 2.45 0.00 -0.85 -1.59 119.26 119.93 1tqj h ALA 82 Ca -0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1tqj h ALA 82 Cb 1.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1tqj h ALA 82 CO 0.14 -0.18 0.12 1.57 0.00 0.00 0.00 179.25 180.90 1tqj h LYS 83 N 0.38 0.87 0.00 0.00 5.09 -0.98 -2.11 116.57 119.81 1tqj h LYS 83 Ca 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 60.65 60.67 1tqj h LYS 83 Cb -0.01 -0.13 0.00 0.00 0.10 0.00 0.00 32.23 32.20 1tqj h LYS 83 CO -0.05 0.79 0.00 0.00 -2.09 0.00 0.00 179.45 178.09 1tqj n ALA 84 N -2.46 1.63 0.00 0.07 0.00 -0.61 -4.89 120.51 114.25 1tqj n ALA 84 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1tqj n ALA 84 Cb 0.24 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1tqj n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tqj n GLY 85 N -0.07 1.42 3.77 0.00 0.00 -0.79 -3.69 105.19 105.81 1tqj n GLY 85 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.93 2.50 -0.11 4.61 0.00 -0.63 -4.71 120.51 121.24 1tqj n ALA 86 Ca 0.00 0.35 -0.15 0.00 0.00 0.00 0.00 53.44 53.64 1tqj n ALA 86 Cb 0.00 -2.44 -0.13 0.00 0.00 0.00 0.00 19.45 16.87 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 1.08 1.32 -4.31 0.00 8.00 0.06 -4.73 116.55 117.98 1tqj n ASP 87 Ca 0.04 -0.07 -0.32 0.00 0.71 0.00 0.00 54.79 55.16 1tqj n ASP 87 Cb 0.38 0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.36 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 2.23 -0.13 0.53 1.01 -0.72 -1.62 121.20 119.98 1tqj s ILE 88 Ca -0.26 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.38 1tqj s ILE 88 Cb 0.08 -1.81 0.02 0.00 0.01 0.00 0.00 42.46 40.76 1tqj s ILE 88 CO 0.69 0.57 -0.11 -0.63 0.00 0.00 0.00 174.94 175.46 1tqj s ILE 89 N -0.31 1.32 -0.03 2.92 1.01 -0.16 -1.24 121.20 124.70 1tqj s ILE 89 Ca 0.01 -0.48 0.06 0.00 0.00 0.00 0.00 60.65 60.24 1tqj s ILE 89 Cb -0.13 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1tqj s ILE 89 CO 0.02 0.42 -0.20 -0.94 0.00 0.00 0.00 174.94 174.24 1tqj s SER 90 N 1.53 3.56 0.10 3.58 1.04 -0.20 -1.14 113.70 122.17 1tqj s SER 90 Ca 0.04 -0.33 0.04 0.00 0.48 0.00 0.00 55.95 56.18 1tqj s SER 90 Cb -0.13 -0.60 -0.03 0.00 0.10 0.00 0.00 66.02 65.36 1tqj s SER 90 CO -0.09 0.33 -0.12 0.68 0.98 0.00 0.00 173.24 175.03 1tqj s VAL 91 N -0.68 1.05 0.40 5.02 -7.23 -0.06 -0.46 120.40 118.43 1tqj s VAL 91 Ca 0.11 -1.58 -0.23 0.00 -1.81 0.00 0.00 61.98 58.47 1tqj s VAL 91 Cb -0.10 -1.32 -0.11 0.00 0.56 0.00 0.00 36.38 35.41 1tqj s VAL 91 CO -0.00 -0.46 0.95 -1.00 -0.31 0.00 0.00 175.10 174.28 1tqj s HIS 92 N -2.14 3.42 -0.48 2.82 3.76 -1.26 -0.73 115.29 120.68 1tqj s HIS 92 Ca 0.04 1.66 0.23 0.00 -0.15 0.00 0.00 55.06 56.85 1tqj s HIS 92 Cb -0.05 -2.88 0.19 0.00 1.11 0.00 0.00 32.58 30.95 1tqj s HIS 92 CO 0.01 -0.03 1.20 -0.39 -0.85 0.00 0.00 174.74 174.67 1tqj h VAL 93 N 2.12 0.00 -4.08 -0.90 -1.51 -1.67 -3.23 116.25 106.98 1tqj h VAL 93 Ca -0.48 -0.69 -0.54 0.00 -1.23 0.00 0.00 66.70 63.76 1tqj h VAL 93 Cb 1.18 1.22 0.12 0.00 -2.13 0.00 0.00 31.29 31.69 1tqj h VAL 93 CO 0.62 0.00 0.50 -1.61 -1.23 0.00 0.00 177.57 175.86 1tqj s GLU 94 N -3.24 2.97 0.23 5.19 8.01 -1.26 -4.54 118.70 126.06 1tqj s GLU 94 Ca 0.03 1.94 0.25 0.00 0.01 0.00 0.00 54.97 57.20 1tqj s GLU 94 Cb 0.12 -2.00 0.90 0.00 -4.31 0.00 0.00 34.13 28.83 1tqj s GLU 94 CO 0.75 -1.23 1.75 0.72 0.01 0.00 0.00 175.26 177.26 1tqj n HIS 95 N -1.47 0.88 1.23 1.61 8.25 -1.26 -1.21 115.22 123.24 1tqj n HIS 95 Ca 0.13 0.30 0.13 0.00 -0.26 0.00 0.00 57.72 58.02 1tqj n HIS 95 Cb 0.48 -0.98 0.66 0.00 1.12 0.00 0.00 29.99 31.28 1tqj n HIS 95 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1tqj n ASN 96 N -2.26 0.00 0.01 0.41 0.23 -1.26 -4.11 115.26 108.29 1tqj n ASN 96 Ca 0.04 -0.04 -0.01 0.00 -0.53 0.00 0.00 54.58 54.04 1tqj n ASN 96 Cb 0.34 -0.31 -0.00 0.00 -2.08 0.00 0.00 39.78 37.73 1tqj n ASN 96 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1tqj n ALA 97 N -1.31 2.39 -3.63 -2.53 0.00 -0.35 -4.43 120.51 110.65 1tqj n ALA 97 Ca 0.12 -0.15 -0.27 0.00 0.00 0.00 0.00 53.44 53.14 1tqj n ALA 97 Cb 0.22 0.12 -0.11 0.00 0.00 0.00 0.00 19.45 19.68 1tqj n ALA 97 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1tqj n SER 98 N -3.26 1.22 0.26 0.00 7.64 -0.41 -3.62 113.62 115.45 1tqj n SER 98 Ca -0.02 -2.78 0.10 0.00 1.01 0.00 0.00 58.87 57.18 1tqj n SER 98 Cb 0.08 -0.65 0.69 0.00 -1.01 0.00 0.00 64.21 63.32 1tqj n SER 98 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1tqj h PRO 99 N 5.48 0.00 -1.95 1.43 0.13 -1.76 -2.99 132.00 132.34 1tqj h PRO 99 Ca 0.21 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.68 1tqj h PRO 99 Cb 0.83 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.60 1tqj h PRO 99 CO 0.54 0.11 -0.02 -2.39 -0.23 0.00 0.00 178.00 176.01 1tqj n HIS 100 N -3.97 3.39 -0.32 1.56 1.44 -1.26 -4.91 115.22 111.15 1tqj n HIS 100 Ca -0.02 -3.09 0.09 0.00 -2.01 0.00 0.00 57.72 52.69 1tqj n HIS 100 Cb 0.20 -0.62 0.21 0.00 0.12 0.00 0.00 29.99 29.89 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 3.05 -0.57 -0.83 2.39 5.85 -1.89 -1.87 115.31 121.44 1tqj h LEU 101 Ca 0.35 0.26 0.04 0.00 0.84 0.00 0.00 57.88 59.37 1tqj h LEU 101 Cb 0.51 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 41.97 1tqj h LEU 101 CO 1.03 -0.30 0.53 -0.74 -0.34 0.00 0.00 178.44 178.62 1tqj h HIS 102 N 0.03 0.98 -0.21 1.25 2.76 -1.90 -0.08 115.15 117.99 1tqj h HIS 102 Ca 0.51 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.70 1tqj h HIS 102 Cb 0.94 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.56 1tqj h HIS 102 CO -0.55 0.55 0.13 -0.09 -1.30 0.00 0.00 177.93 176.67 1tqj h ARG 103 N 1.01 0.28 -0.64 5.26 1.12 -1.79 -1.60 114.38 118.02 1tqj h ARG 103 Ca 0.34 -0.02 -0.08 0.00 -1.11 0.00 0.00 59.98 59.11 1tqj h ARG 103 Cb 0.05 -0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 29.92 1tqj h ARG 103 CO -0.13 0.22 0.09 1.15 -3.11 0.00 0.00 179.97 178.19 1tqj h THR 104 N 0.26 1.26 -0.69 0.20 2.02 -0.80 0.17 112.91 115.33 1tqj h THR 104 Ca 0.07 -1.04 -0.02 0.00 0.77 0.00 0.00 66.41 66.19 1tqj h THR 104 Cb 0.01 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1tqj h THR 104 CO -0.01 0.39 0.34 -0.07 0.37 0.00 0.00 175.52 176.54 1tqj h LEU 105 N 0.98 0.89 -0.82 2.58 3.38 -0.92 -1.63 115.31 119.76 1tqj h LEU 105 Ca 0.19 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 1tqj h LEU 105 Cb 0.45 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1tqj h LEU 105 CO 0.02 0.76 0.20 0.00 0.09 0.00 0.00 178.44 179.51 1tqj h GLN 107 N 1.03 0.54 -0.18 0.00 4.15 -0.21 0.07 115.11 120.51 1tqj h GLN 107 Ca 0.22 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 1tqj h GLN 107 Cb 0.32 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1tqj h GLN 107 CO -0.00 0.35 0.11 0.82 -1.93 0.00 0.00 178.83 178.18 1tqj h ILE 108 N 0.55 1.07 -0.17 2.39 2.04 -1.14 -2.52 117.51 119.73 1tqj h ILE 108 Ca 0.25 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 1tqj h ILE 108 Cb 0.16 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1tqj h ILE 108 CO -0.17 0.07 -0.03 0.03 0.00 0.00 0.00 178.15 178.05 1tqj h ARG 109 N 0.22 0.25 0.00 2.37 3.08 -1.17 -2.26 114.38 116.87 1tqj h ARG 109 Ca 0.07 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1tqj h ARG 109 Cb 0.02 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1tqj h ARG 109 CO -0.01 0.30 -0.04 0.93 -1.07 0.00 0.00 179.97 180.08 1tqj h GLU 110 N 0.25 0.00 -0.08 0.04 5.08 -0.57 -0.38 114.58 118.92 1tqj h GLU 110 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1tqj h GLU 110 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1tqj h GLU 110 CO 0.01 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.34 1tqj n LEU 111 N -3.16 1.10 0.00 1.33 4.77 -0.88 -4.92 117.00 115.25 1tqj n LEU 111 Ca 0.01 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 1tqj n LEU 111 Cb 0.33 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1tqj n LEU 111 CO 0.28 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1tqj n GLY 112 N 1.05 0.55 3.95 -0.72 0.00 -0.15 -5.05 105.19 104.82 1tqj n GLY 112 Ca 0.17 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.55 2.69 -0.05 1.61 -0.14 -1.05 -5.02 119.74 117.23 1tqj s LYS 113 Ca 0.00 -1.38 -0.16 0.00 -1.36 0.00 0.00 55.97 53.08 1tqj s LYS 113 Cb 0.00 -2.59 -0.05 0.00 -1.68 0.00 0.00 37.83 33.51 1tqj s LYS 113 CO 0.00 -0.24 0.42 0.15 -0.76 0.00 0.00 175.35 174.91 1tqj s LYS 114 N -4.26 4.09 -0.19 1.68 -0.14 -0.64 -3.82 119.74 116.46 1tqj s LYS 114 Ca 0.52 0.39 -0.09 0.00 -1.36 0.00 0.00 55.97 55.43 1tqj s LYS 114 Cb -0.07 -3.31 -0.05 0.00 -1.68 0.00 0.00 37.83 32.72 1tqj s LYS 114 CO 0.31 0.48 0.12 0.00 -0.76 0.00 0.00 175.35 175.49 1tqj s ALA 115 N -0.40 3.64 0.09 5.17 0.00 -1.26 -0.99 121.76 128.01 1tqj s ALA 115 Ca 0.24 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.59 1tqj s ALA 115 Cb -0.16 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1tqj s ALA 115 CO 0.11 0.20 -0.23 0.20 0.00 0.00 0.00 175.76 176.05 1tqj s GLY 116 N 0.25 1.57 -0.06 0.00 0.00 -0.29 -0.35 107.32 108.44 1tqj s GLY 116 Ca 0.07 -1.34 0.04 0.00 0.00 0.00 0.00 44.72 43.49 1tqj s GLY 116 CO -0.01 -1.28 -0.17 0.00 0.00 0.00 0.00 173.10 171.63 1tqj s ALA 117 N -1.00 2.51 -0.07 3.20 0.00 -0.66 -0.88 121.76 124.86 1tqj s ALA 117 Ca 0.15 -0.99 0.05 0.00 0.00 0.00 0.00 51.96 51.17 1tqj s ALA 117 Cb -0.10 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.09 1tqj s ALA 117 CO 0.06 0.47 -0.23 0.08 0.00 0.00 0.00 175.76 176.14 1tqj s VAL 118 N -0.40 1.92 -0.19 0.00 1.01 0.09 -0.43 120.40 122.40 1tqj s VAL 118 Ca 0.04 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 1tqj s VAL 118 Cb -0.12 -1.64 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 1tqj s VAL 118 CO 0.02 0.53 -0.09 -0.76 0.00 0.00 0.00 175.10 174.80 1tqj s LEU 119 N 0.07 2.71 0.94 3.92 1.02 -0.42 -1.87 118.68 125.05 1tqj s LEU 119 Ca -0.09 -0.43 -0.10 0.00 0.02 0.00 0.00 54.13 53.53 1tqj s LEU 119 Cb -0.15 -1.66 0.16 0.00 0.02 0.00 0.00 46.19 44.56 1tqj s LEU 119 CO 0.05 0.02 1.13 0.20 0.02 0.00 0.00 176.35 177.78 1tqj s ASN 120 N 1.20 2.73 0.30 2.29 0.01 -1.26 -1.97 114.94 118.24 1tqj s ASN 120 Ca 0.02 2.10 0.06 0.00 -0.71 0.00 0.00 52.86 54.32 1tqj s ASN 120 Cb -0.14 -2.53 0.73 0.00 0.41 0.00 0.00 41.25 39.71 1tqj s ASN 120 CO -0.03 -3.20 1.77 -0.65 -1.51 0.00 0.00 177.10 173.47 1tqj h PRO 121 N -1.94 0.72 0.00 -0.60 0.11 -1.83 -1.11 132.00 127.34 1tqj h PRO 121 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1tqj h PRO 121 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1tqj h PRO 121 CO 0.43 0.47 0.00 0.66 -0.21 0.00 0.00 178.00 179.35 1tqj h SER 122 N 0.74 0.00 -3.30 -2.05 4.64 -1.92 -3.47 113.55 108.19 1tqj h SER 122 Ca 0.58 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.36 1tqj h SER 122 Cb 0.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 1tqj h SER 122 CO -0.39 0.00 0.47 -0.89 -0.87 0.00 0.00 176.83 175.15 1tqj s THR 123 N -3.28 4.48 0.64 2.95 2.01 -0.42 -5.01 115.64 117.00 1tqj s THR 123 Ca 0.07 1.78 -0.10 0.00 0.31 0.00 0.00 61.69 63.74 1tqj s THR 123 Cb 0.09 -4.14 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1tqj s THR 123 CO 0.58 0.13 1.03 -2.16 -0.69 0.00 0.00 174.62 173.51 1tqj s PRO 124 N 1.07 3.24 0.26 4.92 0.04 -1.26 -4.83 135.00 138.44 1tqj s PRO 124 Ca 0.55 0.52 0.25 0.00 0.04 0.00 0.00 61.00 62.36 1tqj s PRO 124 Cb -0.25 -2.10 0.92 0.00 0.04 0.00 0.00 34.50 33.12 1tqj s PRO 124 CO 0.28 -0.73 1.75 -0.07 0.04 0.00 0.00 177.00 178.26 1tqj h LEU 125 N -0.39 0.00 -2.18 -3.56 3.38 -1.97 -3.04 115.31 107.55 1tqj h LEU 125 Ca -0.45 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.59 1tqj h LEU 125 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 1tqj h LEU 125 CO 0.63 0.00 0.24 0.44 0.09 0.00 0.00 178.44 179.83 1tqj h ASP 126 N 0.00 0.00 0.57 -0.43 3.32 -2.02 0.11 116.42 117.97 1tqj h ASP 126 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1tqj h ASP 126 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1tqj h ASP 126 CO 0.00 0.00 0.00 -0.26 -1.72 0.00 0.00 179.24 177.26 1tqj h PHE 127 N 0.00 0.00 -0.02 4.55 -1.00 -1.94 -2.03 116.94 116.50 1tqj h PHE 127 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1tqj h PHE 127 Cb 0.58 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.14 1tqj h PHE 127 CO 0.00 0.00 -0.28 1.28 -1.61 0.00 0.00 178.31 177.70 1tqj n LEU 128 N -2.40 2.23 -0.23 1.54 4.77 0.02 -4.69 117.00 118.25 1tqj n LEU 128 Ca 0.01 -0.85 0.10 0.00 -0.03 0.00 0.00 56.01 55.24 1tqj n LEU 128 Cb 0.19 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.65 1tqj n LEU 128 CO 0.18 0.40 1.22 -0.08 -1.33 0.00 0.00 177.39 177.78 1tqj h GLU 129 N 2.97 0.69 -0.01 3.23 4.57 -1.39 -2.40 114.58 122.23 1tqj h GLU 129 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1tqj h GLU 129 Cb 0.77 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1tqj h GLU 129 CO 0.00 0.46 -0.22 0.66 -1.18 0.00 0.00 179.01 178.72 1tqj n TYR 130 N -4.51 0.00 0.50 0.92 4.02 -1.26 -4.53 117.16 112.30 1tqj n TYR 130 Ca 0.14 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.09 1tqj n TYR 130 Cb 0.36 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.69 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 -0.13 0.00 -0.29 -0.72 0.24 -1.04 -4.73 118.33 111.66 1tqj n VAL 131 Ca 0.05 -0.40 0.12 0.00 -2.04 0.00 0.00 64.34 62.07 1tqj n VAL 131 Cb 0.26 1.15 0.36 0.00 -1.47 0.00 0.00 33.84 34.14 1tqj n VAL 131 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1tqj h LEU 132 N 1.43 0.70 -2.23 1.34 5.85 -1.67 -0.55 115.31 120.19 1tqj h LEU 132 Ca 0.00 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1tqj h LEU 132 Cb 0.40 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1tqj h LEU 132 CO 0.00 0.34 -0.03 -0.65 -0.34 0.00 0.00 178.44 177.76 1tqj h PRO 133 N 0.73 0.00 -0.60 5.25 0.11 -1.90 -2.20 132.00 133.40 1tqj h PRO 133 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1tqj h PRO 133 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1tqj h PRO 133 CO -0.23 0.03 0.00 1.33 -0.21 0.00 0.00 178.00 178.92 1tqj n VAL 134 N -3.24 1.26 -3.46 3.15 0.24 -0.23 -4.91 118.33 111.13 1tqj n VAL 134 Ca -0.02 -1.09 -0.38 0.00 -2.04 0.00 0.00 64.34 60.81 1tqj n VAL 134 Cb 0.19 0.38 -0.09 0.00 -1.47 0.00 0.00 33.84 32.84 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 8.04 0.00 -4.57 0.00 3.32 -1.00 -3.43 116.42 118.79 1tqj h ASP 136 Ca -0.33 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.63 1tqj h ASP 136 Cb 1.17 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.51 1tqj h ASP 136 CO 0.63 0.06 -0.03 -0.22 -1.72 0.00 0.00 179.24 177.96 1tqj s LEU 137 N -6.19 -0.06 -0.07 1.55 0.20 -1.02 -1.59 118.68 111.51 1tqj s LEU 137 Ca 0.06 0.72 0.03 0.00 0.69 0.00 0.00 54.13 55.64 1tqj s LEU 137 Cb 0.06 1.96 0.00 0.00 -0.43 0.00 0.00 46.19 47.78 1tqj s LEU 137 CO 0.69 -0.40 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.54 1tqj s ILE 138 N -0.63 1.54 -0.30 6.68 -1.09 0.13 -1.66 121.20 125.88 1tqj s ILE 138 Ca -0.07 -0.73 -0.09 0.00 -2.23 0.00 0.00 60.65 57.52 1tqj s ILE 138 Cb -0.03 -1.36 -0.01 0.00 -1.58 0.00 0.00 42.46 39.49 1tqj s ILE 138 CO 0.05 0.44 0.14 -0.22 -1.23 0.00 0.00 174.94 174.12 1tqj s LEU 139 N 0.39 4.02 -0.49 2.97 2.96 0.43 -0.61 118.68 128.35 1tqj s LEU 139 Ca -0.13 -0.50 -0.18 0.00 -0.22 0.00 0.00 54.13 53.09 1tqj s LEU 139 Cb -0.16 -1.99 0.05 0.00 0.50 0.00 0.00 46.19 44.60 1tqj s LEU 139 CO 0.05 -0.18 0.56 -0.63 -1.32 0.00 0.00 176.35 174.84 1tqj s ILE 140 N 1.61 4.96 0.16 6.68 -1.09 0.83 -1.30 121.20 133.05 1tqj s ILE 140 Ca 0.05 -0.53 -0.31 0.00 -2.23 0.00 0.00 60.65 57.63 1tqj s ILE 140 Cb -0.17 -4.23 -0.08 0.00 -1.58 0.00 0.00 42.46 36.40 1tqj s ILE 140 CO 0.06 -0.70 1.34 -0.04 -1.23 0.00 0.00 174.94 174.36 1tqj s MET 141 N 2.41 4.36 0.00 2.79 -1.94 -0.83 -2.48 119.30 123.61 1tqj s MET 141 Ca 0.13 2.05 0.05 0.00 -1.71 0.00 0.00 55.69 56.22 1tqj s MET 141 Cb -0.19 -3.22 0.12 0.00 2.01 0.00 0.00 34.83 33.54 1tqj s MET 141 CO 0.12 -0.34 0.99 -1.13 -0.01 0.00 0.00 175.02 174.65 1tqj n SER 142 N 3.25 2.15 -4.20 3.03 3.41 -0.18 -3.97 113.62 117.11 1tqj n SER 142 Ca 0.09 -1.78 -0.12 0.00 -0.26 0.00 0.00 58.87 56.80 1tqj n SER 142 Cb 0.43 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 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 -0.84 0.11 -0.28 -3.33 -7.23 -1.24 -1.15 120.40 106.43 1tqj s VAL 143 Ca 0.10 -1.98 0.17 0.00 -1.81 0.00 0.00 61.98 58.46 1tqj s VAL 143 Cb 0.05 -2.41 -0.24 0.00 0.56 0.00 0.00 36.38 34.35 1tqj s VAL 143 CO 0.07 -0.12 0.49 0.59 -0.31 0.00 0.00 175.10 175.83 1tqj n ASN 144 N -0.25 0.97 0.00 4.85 3.02 -1.26 -4.65 115.26 117.94 1tqj n ASN 144 Ca -0.00 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 1tqj n ASN 144 Cb 0.65 1.52 0.00 0.00 -0.61 0.00 0.00 39.78 41.34 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 -1.86 0.00 -4.53 6.41 3.41 -1.26 -5.15 113.62 110.64 1tqj n SER 151 Ca -0.01 0.00 -0.57 0.00 -0.26 0.00 0.00 58.87 58.03 1tqj n SER 151 Cb 0.38 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.26 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 0.93 -3.08 7.33 7.35 -1.26 -4.87 117.46 123.86 1tqj n PHE 152 Ca 0.00 0.93 -0.43 0.00 -0.76 0.00 0.00 57.45 57.19 1tqj n PHE 152 Cb 0.00 -2.17 -0.06 0.00 0.35 0.00 0.00 39.48 37.60 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 0.21 4.79 0.44 -2.13 1.01 -0.30 -4.96 121.20 120.26 1tqj s ILE 153 Ca 0.89 0.16 0.11 0.00 0.00 0.00 0.00 60.65 61.81 1tqj s ILE 153 Cb -1.18 -4.23 0.29 0.00 0.01 0.00 0.00 42.46 37.35 1tqj s ILE 153 CO 0.54 -0.63 2.05 -0.65 0.00 0.00 0.00 174.94 176.25 1tqj h PRO 154 N 8.90 0.38 0.00 2.79 0.11 -1.91 -2.49 132.00 139.78 1tqj h PRO 154 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1tqj h PRO 154 Cb 1.09 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1tqj h PRO 154 CO 0.91 0.25 0.00 0.93 -0.21 0.00 0.00 178.00 179.88 1tqj h GLU 155 N 0.40 0.00 0.00 1.05 3.07 -1.98 -1.34 114.58 115.77 1tqj h GLU 155 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 1tqj h GLU 155 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1tqj h GLU 155 CO -0.04 0.00 0.00 0.28 -1.40 0.00 0.00 179.01 177.85 1tqj h VAL 156 N 0.00 0.00 -0.68 3.13 2.07 -1.79 -3.32 116.25 115.66 1tqj h VAL 156 Ca 0.00 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.02 1tqj h VAL 156 Cb 0.12 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1tqj h VAL 156 CO 0.00 0.00 0.34 -0.07 0.02 0.00 0.00 177.57 177.86 1tqj h LEU 157 N 0.00 0.45 -1.88 2.57 3.38 -1.44 -0.77 115.31 117.62 1tqj h LEU 157 Ca 0.00 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1tqj h LEU 157 Cb 0.73 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 1tqj h LEU 157 CO 0.00 0.27 -0.09 -0.65 0.09 0.00 0.00 178.44 178.05 1tqj h PRO 158 N 0.59 0.00 -0.45 1.13 0.11 -1.79 -2.28 132.00 129.31 1tqj h PRO 158 Ca 0.33 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.39 1tqj h PRO 158 Cb 0.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1tqj h PRO 158 CO -0.25 0.09 0.09 -0.22 -0.21 0.00 0.00 178.00 177.50 1tqj h LYS 159 N 0.00 0.74 -0.28 1.05 3.64 -1.33 -0.13 116.57 120.26 1tqj h LYS 159 Ca -0.00 -0.19 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 1tqj h LYS 159 Cb 0.18 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1tqj h LYS 159 CO 0.01 0.75 -0.21 0.82 -2.27 0.00 0.00 179.45 178.55 1tqj h ILE 160 N 0.61 1.30 -0.41 2.00 2.04 -1.05 0.08 117.51 122.09 1tqj h ILE 160 Ca 0.14 -1.35 -0.00 0.00 1.00 0.00 0.00 64.86 64.65 1tqj h ILE 160 Cb 0.36 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1tqj h ILE 160 CO 0.01 0.43 0.24 0.03 0.00 0.00 0.00 178.15 178.85 1tqj h ARG 161 N 0.36 0.56 -0.64 2.37 3.08 -1.28 -0.79 114.38 118.05 1tqj h ARG 161 Ca 0.05 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1tqj h ARG 161 Cb 0.76 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1tqj h ARG 161 CO 0.06 0.43 0.21 0.00 -1.07 0.00 0.00 179.97 179.59 1tqj h ALA 162 N 1.10 1.17 -0.58 0.04 0.00 -0.90 -1.76 119.26 118.32 1tqj h ALA 162 Ca 0.15 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1tqj h ALA 162 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1tqj h ALA 162 CO -0.03 0.58 -0.00 1.25 0.00 0.00 0.00 179.25 181.06 1tqj h LEU 163 N 0.94 1.01 -0.21 0.00 5.85 -0.51 -0.79 115.31 121.60 1tqj h LEU 163 Ca 0.21 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1tqj h LEU 163 Cb 0.25 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1tqj h LEU 163 CO -0.01 1.07 0.12 -0.09 -0.34 0.00 0.00 178.44 179.20 1tqj h ARG 164 N 0.92 0.28 -0.96 1.25 9.65 -0.89 -1.63 114.38 123.01 1tqj h ARG 164 Ca 0.16 -0.03 0.06 0.00 -1.10 0.00 0.00 59.98 59.08 1tqj h ARG 164 Cb 0.56 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 29.01 1tqj h ARG 164 CO 0.03 0.23 0.62 0.37 2.80 0.00 0.00 179.97 184.02 1tqj h GLN 165 N 0.25 1.12 -0.44 0.20 4.15 -1.14 -1.40 115.11 117.84 1tqj h GLN 165 Ca 0.07 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.44 1tqj h GLN 165 Cb 0.02 -0.25 -0.03 0.00 0.21 0.00 0.00 27.48 27.43 1tqj h GLN 165 CO -0.01 0.74 0.27 0.52 -1.93 0.00 0.00 178.83 178.42 1tqj h MET 166 N 1.15 0.53 -0.40 1.69 2.86 -0.60 -1.20 114.93 118.96 1tqj h MET 166 Ca 0.41 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.94 1tqj h MET 166 Cb 0.11 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.64 1tqj h MET 166 CO -0.16 0.35 -0.05 0.00 1.06 0.00 0.00 176.91 178.11 1tqj h ASP 168 N 0.56 0.91 0.08 0.00 3.32 -1.13 0.48 116.42 120.64 1tqj h ASP 168 Ca 0.11 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1tqj h ASP 168 Cb 0.55 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 1tqj h ASP 168 CO 0.03 0.84 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.99 1tqj h GLU 169 N 0.92 0.00 -0.02 3.56 5.08 -1.12 -2.67 114.58 120.32 1tqj h GLU 169 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1tqj h GLU 169 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1tqj h GLU 169 CO -0.01 0.08 -0.15 0.54 -1.00 0.00 0.00 179.01 178.46 1tqj n ARG 170 N -4.38 1.91 -2.48 2.33 5.12 -0.84 -4.97 116.66 113.36 1tqj n ARG 170 Ca -0.03 -1.59 -0.15 0.00 -1.93 0.00 0.00 57.85 54.15 1tqj n ARG 170 Cb 0.15 -1.45 0.01 0.00 -1.16 0.00 0.00 32.46 30.01 1tqj n ARG 170 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1tqj n GLY 171 N 1.34 -0.19 3.73 -0.13 0.00 -0.30 -5.02 105.19 104.62 1tqj n GLY 171 Ca 0.12 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 -4.39 3.58 -0.38 0.99 1.43 0.00 -5.02 118.68 114.89 1tqj s LEU 172 Ca 0.08 -0.21 0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1tqj s LEU 172 Cb -0.04 -2.23 0.34 0.00 0.03 0.00 0.00 46.19 44.29 1tqj s LEU 172 CO 0.11 0.10 0.74 -0.67 0.23 0.00 0.00 176.35 176.86 1tqj n ASP 173 N -0.03 0.55 -4.82 2.29 2.03 -1.26 -4.24 116.55 111.08 1tqj n ASP 173 Ca -0.09 -3.04 -0.31 0.00 0.52 0.00 0.00 54.79 51.87 1tqj n ASP 173 Cb 0.54 -0.43 0.05 0.00 -0.72 0.00 0.00 41.12 40.56 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 -2.15 2.87 0.27 -0.67 0.04 -1.26 -4.98 135.00 129.11 1tqj s PRO 174 Ca 0.38 0.96 -0.31 0.00 0.04 0.00 0.00 61.00 62.08 1tqj s PRO 174 Cb 0.33 -1.98 -0.12 0.00 0.04 0.00 0.00 34.50 32.77 1tqj s PRO 174 CO -0.08 -1.15 1.57 0.91 0.04 0.00 0.00 177.00 178.29 1tqj n TRP 175 N -3.17 2.67 -3.71 0.56 7.02 -0.62 -4.88 117.44 115.32 1tqj n TRP 175 Ca 0.08 0.27 -0.37 0.00 -1.02 0.00 0.00 57.50 56.45 1tqj n TRP 175 Cb 0.54 -2.57 -0.10 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 0.15 3.60 -0.01 -0.99 1.01 -1.26 -0.69 121.20 123.02 1tqj s ILE 176 Ca 0.67 -2.20 -0.09 0.00 0.00 0.00 0.00 60.65 59.03 1tqj s ILE 176 Cb -0.54 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 1tqj s ILE 176 CO 0.46 -0.75 0.29 -0.70 0.00 0.00 0.00 174.94 174.25 1tqj s GLU 177 N 0.92 3.65 -0.01 2.79 2.12 0.22 -1.08 118.70 127.31 1tqj s GLU 177 Ca 0.10 0.06 0.05 0.00 0.36 0.00 0.00 54.97 55.53 1tqj s GLU 177 Cb -0.23 -3.12 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 1tqj s GLU 177 CO -0.03 0.67 -0.15 0.08 -0.54 0.00 0.00 175.26 175.28 1tqj s VAL 178 N -1.22 1.21 -0.09 3.70 1.01 -0.64 -0.12 120.40 124.25 1tqj s VAL 178 Ca 0.25 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.52 1tqj s VAL 178 Cb -0.14 -1.01 0.05 0.00 0.00 0.00 0.00 36.38 35.28 1tqj s VAL 178 CO 0.14 0.32 0.13 -0.62 0.00 0.00 0.00 175.10 175.07 1tqj s ASP 179 N -0.41 1.10 0.00 3.32 2.15 -1.03 -1.50 116.67 120.30 1tqj s ASP 179 Ca 0.06 0.10 0.00 0.00 0.43 0.00 0.00 52.55 53.14 1tqj s ASP 179 Cb -0.06 0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.68 1tqj s ASP 179 CO -0.00 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 1tqj n GLY 180 N 5.31 2.46 2.31 2.66 0.00 -1.26 -1.01 105.19 115.66 1tqj n GLY 180 Ca -0.05 -0.05 -0.12 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 0.81 3.77 -0.02 0.00 -1.26 -4.14 105.19 104.35 1tqj n GLY 181 Ca 0.00 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.98 4.37 0.21 0.99 1.43 -1.26 -4.41 118.68 117.02 1tqj s LEU 182 Ca 0.00 0.89 -0.08 0.00 -1.03 0.00 0.00 54.13 53.90 1tqj s LEU 182 Cb 0.00 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 1tqj s LEU 182 CO 0.00 0.15 0.32 -1.59 0.23 0.00 0.00 176.35 175.46 1tqj s LYS 183 N -0.16 1.32 0.39 1.70 -2.85 -1.26 -4.63 119.74 114.26 1tqj s LYS 183 Ca 0.25 -1.32 0.18 0.00 -1.00 0.00 0.00 55.97 54.08 1tqj s LYS 183 Cb -0.16 0.39 1.09 0.00 -2.06 0.00 0.00 37.83 37.09 1tqj s LYS 183 CO 0.12 -0.50 1.77 -1.35 0.10 0.00 0.00 175.35 175.48 1tqj h PRO 184 N 2.45 0.39 0.00 1.78 0.11 -1.86 -2.03 132.00 132.85 1tqj h PRO 184 Ca -0.30 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1tqj h PRO 184 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1tqj h PRO 184 CO 0.44 0.26 0.00 -2.95 -0.21 0.00 0.00 178.00 175.54 1tqj h ASN 185 N 0.41 0.00 0.00 -2.05 -1.07 -1.97 -3.37 115.58 107.53 1tqj h ASN 185 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.97 1tqj h ASN 185 Cb 1.49 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.74 1tqj h ASN 185 CO -0.31 0.00 0.00 -0.46 0.07 0.00 0.00 177.43 176.73 1tqj n ASN 186 N -3.04 0.35 0.23 6.14 6.94 -0.86 -4.74 115.26 120.28 1tqj n ASN 186 Ca 0.03 -0.66 0.07 0.00 -0.02 0.00 0.00 54.58 54.00 1tqj n ASN 186 Cb 0.45 0.43 0.56 0.00 -2.36 0.00 0.00 39.78 38.85 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 0.10 0.96 -0.77 5.53 2.02 -1.55 -2.01 112.91 117.19 1tqj h THR 187 Ca 0.00 -0.69 0.21 0.00 0.77 0.00 0.00 66.41 66.70 1tqj h THR 187 Cb 0.05 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 1tqj h THR 187 CO 0.00 0.19 0.55 4.11 0.37 0.00 0.00 175.52 180.73 1tqj h TRP 188 N 0.00 0.11 -0.80 3.16 5.08 -1.84 -1.47 115.95 120.19 1tqj h TRP 188 Ca -0.00 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.93 1tqj h TRP 188 Cb 0.38 -0.03 -0.04 0.00 -3.00 0.00 0.00 29.16 26.47 1tqj h TRP 188 CO 0.00 0.03 0.35 1.96 -1.28 0.00 0.00 178.44 179.50 1tqj h GLN 189 N 0.08 1.18 0.00 0.12 4.20 -1.73 0.31 115.11 119.27 1tqj h GLN 189 Ca 0.37 -0.20 -0.21 0.00 0.06 0.00 0.00 58.65 58.68 1tqj h GLN 189 Cb 1.36 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.91 1tqj h GLN 189 CO -0.04 0.93 -1.22 -0.39 -0.67 0.00 0.00 178.83 177.45 1tqj h VAL 190 N 1.16 1.02 -0.05 -0.54 -1.51 -1.48 -2.83 116.25 112.03 1tqj h VAL 190 Ca 0.27 -2.66 -0.00 0.00 -1.23 0.00 0.00 66.70 63.08 1tqj h VAL 190 Cb 0.18 2.45 -0.00 0.00 -2.13 0.00 0.00 31.29 31.79 1tqj h VAL 190 CO -0.03 0.58 0.02 -0.07 -1.23 0.00 0.00 177.57 176.85 1tqj h LEU 191 N 0.00 0.06 -1.77 4.19 3.38 -1.15 0.10 115.31 120.12 1tqj h LEU 191 Ca -0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1tqj h LEU 191 Cb 1.73 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.45 1tqj h LEU 191 CO 0.08 0.14 0.15 -0.33 0.09 0.00 0.00 178.44 178.57 1tqj h GLU 192 N -0.03 0.30 0.00 1.13 5.08 -1.02 -1.84 114.58 118.20 1tqj h GLU 192 Ca 0.02 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1tqj h GLU 192 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1tqj h GLU 192 CO -0.00 0.20 -0.17 0.00 -1.00 0.00 0.00 179.01 178.04 1tqj h ALA 193 N 1.85 0.94 0.00 3.43 0.00 -1.24 -3.47 119.26 120.77 1tqj h ALA 193 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tqj h ALA 193 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1tqj h ALA 193 CO -0.02 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1tqj n GLY 194 N 0.64 0.39 3.77 0.00 0.00 -0.69 -3.58 105.19 105.72 1tqj n GLY 194 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.24 2.87 0.00 4.61 0.00 -0.05 -4.83 121.76 123.13 1tqj s ALA 195 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.92 1tqj s ALA 195 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1tqj s ALA 195 CO 0.00 -0.79 0.45 0.27 0.00 0.00 0.00 175.76 175.69 1tqj n ASN 196 N -0.78 0.46 -3.70 0.00 0.23 -0.24 -4.49 115.26 106.74 1tqj n ASN 196 Ca 0.09 -1.17 -0.22 0.00 -0.53 0.00 0.00 54.58 52.75 1tqj n ASN 196 Cb 0.48 0.00 -0.18 0.00 -2.08 0.00 0.00 39.78 38.01 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 -0.17 0.42 -0.21 -2.53 0.00 -0.80 -1.07 121.76 117.39 1tqj s ALA 197 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.96 1tqj s ALA 197 Cb 0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 1tqj s ALA 197 CO 0.00 -0.56 -0.08 0.42 0.00 0.00 0.00 175.76 175.54 1tqj s ILE 198 N 2.10 3.04 -0.16 0.00 -1.09 -0.06 -1.62 121.20 123.41 1tqj s ILE 198 Ca 0.05 -0.61 -0.16 0.00 -2.23 0.00 0.00 60.65 57.70 1tqj s ILE 198 Cb -0.13 -2.36 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 1tqj s ILE 198 CO -0.04 0.45 0.37 -0.69 -1.23 0.00 0.00 174.94 173.80 1tqj s VAL 199 N 1.40 5.24 0.01 2.92 1.01 -0.56 -0.14 120.40 130.28 1tqj s VAL 199 Ca 0.05 0.70 0.03 0.00 0.00 0.00 0.00 61.98 62.76 1tqj s VAL 199 Cb -0.14 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1tqj s VAL 199 CO -0.05 0.33 -0.09 0.00 0.00 0.00 0.00 175.10 175.29 1tqj s ALA 200 N 0.76 0.73 0.00 5.51 0.00 -1.22 -4.40 121.76 123.14 1tqj s ALA 200 Ca 0.20 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1tqj s ALA 200 Cb -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.85 1tqj s ALA 200 CO 0.07 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.37 1tqj n GLY 201 N 2.44 0.40 0.37 0.00 0.00 -1.26 -0.87 105.19 106.27 1tqj n GLY 201 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 0.97 -0.07 1.61 4.64 -1.90 -0.49 113.55 118.32 1tqj h SER 202 Ca 0.00 0.02 0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1tqj h SER 202 Cb 0.00 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 61.90 1tqj h SER 202 CO 0.00 0.60 0.05 0.00 -0.87 0.00 0.00 176.83 176.61 1tqj h ALA 203 N 1.49 2.02 0.00 5.18 0.00 -1.88 -0.55 119.26 125.52 1tqj h ALA 203 Ca 0.43 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 1tqj h ALA 203 Cb 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1tqj h ALA 203 CO -0.18 -0.08 -0.81 0.28 0.00 0.00 0.00 179.25 178.45 1tqj h VAL 204 N 0.00 0.40 0.00 0.00 2.07 -1.59 -3.37 116.25 113.76 1tqj h VAL 204 Ca 0.03 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.04 1tqj h VAL 204 Cb 0.13 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1tqj h VAL 204 CO -0.00 0.14 0.00 0.49 0.02 0.00 0.00 177.57 178.21 1tqj n PHE 205 N -4.54 0.61 1.04 1.57 3.72 -0.28 -2.15 117.46 117.42 1tqj n PHE 205 Ca -0.18 0.19 0.11 0.00 -0.05 0.00 0.00 57.45 57.53 1tqj n PHE 205 Cb 0.44 -0.81 0.05 0.00 -0.94 0.00 0.00 39.48 38.21 1tqj n PHE 205 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1tqj n ASN 206 N -2.01 1.31 -4.76 4.37 3.02 -0.23 -4.94 115.26 112.02 1tqj n ASN 206 Ca 0.05 -1.07 -0.39 0.00 -0.03 0.00 0.00 54.58 53.14 1tqj n ASN 206 Cb 0.36 0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 40.05 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 -2.74 3.31 0.31 5.41 0.00 -0.91 -4.97 121.76 122.17 1tqj s ALA 207 Ca 0.15 0.68 0.16 0.00 0.00 0.00 0.00 51.96 52.94 1tqj s ALA 207 Cb 0.17 -3.24 0.75 0.00 0.00 0.00 0.00 23.12 20.81 1tqj s ALA 207 CO 0.69 0.07 1.80 -1.00 0.00 0.00 0.00 175.76 177.32 1tqj h PRO 208 N 3.71 0.00 -4.25 0.00 0.13 -1.92 -3.39 132.00 126.28 1tqj h PRO 208 Ca -0.46 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 63.97 1tqj h PRO 208 Cb 1.20 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.99 1tqj h PRO 208 CO 0.67 0.38 -0.50 1.21 -0.23 0.00 0.00 178.00 179.52 1tqj s ASN 209 N -6.69 5.26 0.22 1.44 3.84 -1.26 -4.97 114.94 112.79 1tqj s ASN 209 Ca -0.02 -2.23 -0.08 0.00 0.21 0.00 0.00 52.86 50.74 1tqj s ASN 209 Cb 0.13 -1.84 0.19 0.00 -0.55 0.00 0.00 41.25 39.18 1tqj s ASN 209 CO 0.70 -0.51 1.86 1.88 -2.79 0.00 0.00 177.10 178.24 1tqj h TYR 210 N 7.81 1.16 -0.49 0.43 0.05 -1.84 -1.81 116.97 122.28 1tqj h TYR 210 Ca -0.11 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.68 1tqj h TYR 210 Cb 1.02 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 38.36 1tqj h TYR 210 CO 0.59 0.79 0.30 0.00 -1.05 0.00 0.00 178.16 178.79 1tqj h ALA 211 N 1.27 0.62 -0.16 3.88 0.00 -1.92 0.32 119.26 123.27 1tqj h ALA 211 Ca 0.31 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1tqj h ALA 211 Cb -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1tqj h ALA 211 CO -0.05 0.01 -0.30 0.93 0.00 0.00 0.00 179.25 179.83 1tqj h GLU 212 N 0.60 0.32 -0.19 0.00 5.08 -1.78 -0.64 114.58 117.97 1tqj h GLU 212 Ca 0.19 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1tqj h GLU 212 Cb -0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1tqj h GLU 212 CO -0.08 0.59 -0.32 0.00 -1.00 0.00 0.00 179.01 178.21 1tqj h ALA 213 N 1.41 0.29 -0.41 3.43 0.00 -0.88 -0.15 119.26 122.95 1tqj h ALA 213 Ca 0.04 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1tqj h ALA 213 Cb 0.68 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1tqj h ALA 213 CO 0.05 0.32 0.22 0.82 0.00 0.00 0.00 179.25 180.66 1tqj h ILE 214 N 0.20 1.16 -0.41 0.00 2.04 -0.82 -1.11 117.51 118.58 1tqj h ILE 214 Ca 0.01 -0.42 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1tqj h ILE 214 Cb 0.90 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1tqj h ILE 214 CO 0.07 0.17 -0.01 0.00 0.00 0.00 0.00 178.15 178.38 1tqj h ALA 215 N 1.07 1.22 -0.21 1.87 0.00 -1.06 -1.81 119.26 120.34 1tqj h ALA 215 Ca 0.14 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1tqj h ALA 215 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1tqj h ALA 215 CO -0.02 0.52 -0.12 0.78 0.00 0.00 0.00 179.25 180.41 1tqj h GLY 216 N 0.93 0.35 0.33 0.00 0.00 -0.34 0.14 103.07 104.48 1tqj h GLY 216 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1tqj h GLY 216 CO 0.02 0.21 -0.05 -2.08 0.00 0.00 0.00 176.54 174.64 1tqj h VAL 217 N 0.31 1.56 -0.82 4.60 2.07 -0.96 -2.59 116.25 120.43 1tqj h VAL 217 Ca 0.06 -1.71 0.06 0.00 0.82 0.00 0.00 66.70 65.93 1tqj h VAL 217 Cb 0.40 2.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.81 1tqj h VAL 217 CO 0.02 0.45 0.50 -0.09 0.02 0.00 0.00 177.57 178.48 1tqj h ARG 218 N -0.66 0.90 -0.47 1.57 2.43 -0.98 -2.90 114.38 114.28 1tqj h ARG 218 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1tqj h ARG 218 Cb 0.76 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1tqj h ARG 218 CO 0.01 0.60 0.00 0.09 -1.51 0.00 0.00 179.97 179.16 1tqj n ASN 219 N -4.64 4.92 -4.71 -3.80 3.02 0.46 -5.01 115.26 105.50 1tqj n ASN 219 Ca 0.11 -2.89 -0.43 0.00 -0.03 0.00 0.00 54.58 51.35 1tqj n ASN 219 Cb 0.16 -0.61 -0.03 0.00 -0.61 0.00 0.00 39.78 38.69 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 0.27 3.91 -4.17 6.41 2.88 -0.98 -4.99 113.62 116.94 1tqj n SER 220 Ca 0.25 1.06 -0.20 0.00 -1.33 0.00 0.00 58.87 58.65 1tqj n SER 220 Cb 1.04 -1.56 -0.13 0.00 -0.75 0.00 0.00 64.21 62.82 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 1.29 0.90 0.31 -1.46 1.02 -1.26 -4.23 119.74 116.31 1tqj s LYS 221 Ca 0.76 -0.90 -0.29 0.00 0.02 0.00 0.00 55.97 55.56 1tqj s LYS 221 Cb -0.52 -0.94 -0.13 0.00 -0.52 0.00 0.00 37.83 35.72 1tqj s LYS 221 CO 0.33 0.22 1.35 -2.13 -0.92 0.00 0.00 175.35 174.20 1tqj n ARG 222 N 1.51 2.15 0.00 1.68 0.63 -1.26 -4.87 116.66 116.50 1tqj n ARG 222 Ca -0.20 0.76 0.00 0.00 -0.92 0.00 0.00 57.85 57.49 1tqj n ARG 222 Cb 0.54 -2.38 0.00 0.00 0.45 0.00 0.00 32.46 31.07 1tqj n ARG 222 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82