#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nqj s LYS 2 N 0.00 2.35 -0.22 0.03 1.02 -1.26 0.07 119.74 121.72 2nqj s LYS 2 Ca 0.00 -0.86 -0.09 0.00 0.02 0.00 0.00 55.97 55.04 2nqj s LYS 2 Cb 0.00 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.23 2nqj s LYS 2 CO 0.00 0.39 0.10 0.71 -0.92 0.00 0.00 175.35 175.63 2nqj s TYR 3 N -0.20 3.22 -0.04 3.18 2.02 -1.25 -4.96 117.35 119.32 2nqj s TYR 3 Ca -0.02 -0.00 0.03 0.00 -0.37 0.00 0.00 57.07 56.72 2nqj s TYR 3 Cb -0.13 -2.20 0.00 0.00 -0.40 0.00 0.00 41.96 39.23 2nqj s TYR 3 CO 0.03 -0.03 -0.14 0.42 -1.57 0.00 0.00 175.55 174.26 2nqj s ILE 4 N 1.00 1.17 0.00 2.71 1.01 -1.26 -1.10 121.20 124.74 2nqj s ILE 4 Ca 0.05 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.15 2nqj s ILE 4 Cb -0.14 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2nqj s ILE 4 CO 0.03 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.93 2nqj n GLY 5 N 3.36 2.23 3.28 6.18 0.00 -0.58 0.81 105.19 120.48 2nqj n GLY 5 Ca -0.19 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 2nqj n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nqj s ALA 6 N -1.00 0.36 -1.23 4.61 0.00 -1.24 -0.25 121.76 123.01 2nqj s ALA 6 Ca 0.00 -1.14 -0.17 0.00 0.00 0.00 0.00 51.96 50.65 2nqj s ALA 6 Cb 0.00 0.93 0.10 0.00 0.00 0.00 0.00 23.12 24.15 2nqj s ALA 6 CO 0.00 -0.61 1.59 -1.58 0.00 0.00 0.00 175.76 175.17 2nqj s HIS 7 N -4.01 3.01 0.87 0.00 2.46 -0.38 -2.05 115.29 115.18 2nqj s HIS 7 Ca 0.22 -1.72 -0.12 0.00 0.47 0.00 0.00 55.06 53.91 2nqj s HIS 7 Cb 0.05 -4.59 0.11 0.00 -0.13 0.00 0.00 32.58 28.02 2nqj s HIS 7 CO 0.02 -1.67 1.11 0.14 -2.47 0.00 0.00 174.74 171.86 2nqj s VAL 8 N 3.38 2.61 0.52 0.89 -7.23 -1.02 -4.90 120.40 114.64 2nqj s VAL 8 Ca 0.49 0.20 -0.17 0.00 -1.81 0.00 0.00 61.98 60.68 2nqj s VAL 8 Cb 0.01 -2.87 -0.07 0.00 0.56 0.00 0.00 36.38 34.01 2nqj s VAL 8 CO 0.03 -0.26 1.00 -0.55 -0.31 0.00 0.00 175.10 175.02 2nqj s SER 9 N -3.79 6.44 -0.06 4.85 0.15 -1.26 -4.55 113.70 115.48 2nqj s SER 9 Ca 0.63 1.68 0.10 0.00 0.70 0.00 0.00 55.95 59.05 2nqj s SER 9 Cb -0.16 -2.52 0.26 0.00 -1.71 0.00 0.00 66.02 61.89 2nqj s SER 9 CO 0.55 -0.71 1.20 0.00 1.20 0.00 0.00 173.24 175.48 2nqj n ALA 10 N -1.51 2.31 -1.73 5.45 0.00 -1.26 -3.80 120.51 119.97 2nqj n ALA 10 Ca 0.07 -1.56 -0.42 0.00 0.00 0.00 0.00 53.44 51.54 2nqj n ALA 10 Cb 0.54 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2nqj n ALA 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2nqj n ALA 11 N -0.26 1.66 0.00 0.00 0.00 -1.26 -1.65 120.51 119.01 2nqj n ALA 11 Ca 0.11 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2nqj n ALA 11 Cb 0.50 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.64 2nqj n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2nqj n GLY 12 N 0.67 2.33 0.00 0.00 0.00 -1.26 -4.80 105.19 102.13 2nqj n GLY 12 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2nqj n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nqj n GLY 13 N -2.00 4.70 0.34 -0.02 0.00 -0.66 -4.88 105.19 102.67 2nqj n GLY 13 Ca 0.00 -1.08 0.18 0.00 0.00 0.00 0.00 46.02 45.12 2nqj n GLY 13 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2nqj h LEU 14 N 0.00 0.58 -1.65 0.99 3.38 -1.90 0.19 115.31 116.89 2nqj h LEU 14 Ca 0.00 0.15 0.05 0.00 0.09 0.00 0.00 57.88 58.17 2nqj h LEU 14 Cb 0.00 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 2nqj h LEU 14 CO 0.00 0.04 0.32 0.00 0.09 0.00 0.00 178.44 178.89 2nqj h ALA 15 N 1.75 1.88 -0.12 1.53 0.00 -1.87 0.45 119.26 122.88 2nqj h ALA 15 Ca 0.64 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.57 2nqj h ALA 15 Cb 1.27 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 2nqj h ALA 15 CO -0.51 0.04 0.09 -0.91 0.00 0.00 0.00 179.25 177.96 2nqj h ASN 16 N 0.44 0.00 -0.76 0.00 2.35 -0.93 -0.42 115.58 116.26 2nqj h ASN 16 Ca 0.20 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.97 2nqj h ASN 16 Cb 0.24 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 2nqj h ASN 16 CO -0.05 0.00 0.49 0.00 -1.65 0.00 0.00 177.43 176.22 2nqj h ALA 17 N 1.94 0.98 -0.10 -0.83 0.00 -0.97 0.82 119.26 121.10 2nqj h ALA 17 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2nqj h ALA 17 Cb 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2nqj h ALA 17 CO -0.00 0.31 -0.48 0.00 0.00 0.00 0.00 179.25 179.08 2nqj h ALA 18 N 1.31 1.00 -0.03 0.00 0.00 -1.15 -2.11 119.26 118.27 2nqj h ALA 18 Ca 0.29 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 2nqj h ALA 18 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2nqj h ALA 18 CO -0.09 0.64 -0.82 0.82 0.00 0.00 0.00 179.25 179.80 2nqj h ILE 19 N 0.20 1.42 -0.40 0.00 2.04 -0.96 -2.46 117.51 117.35 2nqj h ILE 19 Ca 0.01 -2.35 -0.11 0.00 1.00 0.00 0.00 64.86 63.40 2nqj h ILE 19 Cb 0.93 2.29 -0.01 0.00 -0.74 0.00 0.00 36.82 39.29 2nqj h ILE 19 CO 0.08 0.70 -0.19 0.03 0.00 0.00 0.00 178.15 178.76 2nqj h ARG 20 N 0.20 0.84 0.17 2.37 3.08 -0.75 -0.42 114.38 119.88 2nqj h ARG 20 Ca -0.05 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.64 2nqj h ARG 20 Cb 1.42 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 2nqj h ARG 20 CO 0.14 1.00 -0.18 0.00 -1.07 0.00 0.00 179.97 179.86 2nqj h ALA 21 N 0.82 -0.35 -0.92 0.04 0.00 -1.34 -2.07 119.26 115.43 2nqj h ALA 21 Ca 0.09 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.02 2nqj h ALA 21 Cb 0.75 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 2nqj h ALA 21 CO 0.06 -0.72 0.60 0.00 0.00 0.00 0.00 179.25 179.18 2nqj h ALA 22 N 0.39 1.51 -0.85 0.00 0.00 -1.34 -1.04 119.26 117.93 2nqj h ALA 22 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.02 2nqj h ALA 22 Cb 0.37 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2nqj h ALA 22 CO -0.05 0.35 0.55 0.93 0.00 0.00 0.00 179.25 181.04 2nqj h GLU 23 N 1.04 0.65 -0.64 0.00 5.08 -0.37 0.93 114.58 121.27 2nqj h GLU 23 Ca 0.40 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2nqj h GLU 23 Cb 0.21 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2nqj h GLU 23 CO -0.15 0.43 0.00 0.44 -1.00 0.00 0.00 179.01 178.73 2nqj n ILE 24 N -4.54 1.98 -3.90 3.13 -5.35 -0.45 -4.94 119.36 105.30 2nqj n ILE 24 Ca 0.16 -1.15 -0.30 0.00 -0.27 0.00 0.00 62.75 61.19 2nqj n ILE 24 Cb 0.44 -0.05 0.03 0.00 -1.74 0.00 0.00 39.64 38.32 2nqj n ILE 24 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2nqj n ASP 25 N 0.87 -4.62 -4.83 7.28 2.03 0.32 -4.64 116.55 112.96 2nqj n ASP 25 Ca 0.24 -0.78 -0.34 0.00 0.52 0.00 0.00 54.79 54.44 2nqj n ASP 25 Cb 0.93 -3.90 -0.06 0.00 -0.72 0.00 0.00 41.12 37.37 2nqj n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2nqj s ALA 26 N -3.32 3.29 -0.45 -1.67 0.00 -0.89 -4.97 121.76 113.76 2nqj s ALA 26 Ca 0.63 0.15 0.16 0.00 0.00 0.00 0.00 51.96 52.90 2nqj s ALA 26 Cb -0.31 -2.86 0.61 0.00 0.00 0.00 0.00 23.12 20.56 2nqj s ALA 26 CO 0.83 0.29 1.53 0.25 0.00 0.00 0.00 175.76 178.66 2nqj n THR 27 N -0.10 2.19 -3.58 0.00 -2.24 0.24 -4.65 114.28 106.14 2nqj n THR 27 Ca 0.03 -1.54 -0.05 0.00 -2.27 0.00 0.00 64.05 60.22 2nqj n THR 27 Cb 0.53 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 2nqj n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2nqj s ALA 28 N -2.43 -2.03 0.14 6.98 0.00 -1.06 -4.07 121.76 119.30 2nqj s ALA 28 Ca 0.45 1.48 -0.24 0.00 0.00 0.00 0.00 51.96 53.64 2nqj s ALA 28 Cb 0.33 -0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.51 2nqj s ALA 28 CO 0.14 -0.62 0.77 -0.59 0.00 0.00 0.00 175.76 175.46 2nqj s PHE 29 N -2.55 -0.34 0.28 0.00 -0.12 -0.57 -3.46 117.98 111.22 2nqj s PHE 29 Ca 0.09 0.09 0.09 0.00 -0.05 0.00 0.00 56.93 57.14 2nqj s PHE 29 Cb -0.01 0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 42.92 2nqj s PHE 29 CO -0.05 -0.84 -0.12 0.00 -0.05 0.00 0.00 175.22 174.15 2nqj s ALA 30 N -3.53 2.50 0.06 1.99 0.00 -0.87 -1.31 121.76 120.61 2nqj s ALA 30 Ca 0.06 -1.88 -0.27 0.00 0.00 0.00 0.00 51.96 49.87 2nqj s ALA 30 Cb -0.02 -0.04 0.09 0.00 0.00 0.00 0.00 23.12 23.14 2nqj s ALA 30 CO -0.05 0.09 1.01 -0.48 0.00 0.00 0.00 175.76 176.32 2nqj s LEU 31 N -3.47 -0.21 -0.13 0.00 2.34 -1.20 -2.44 118.68 113.58 2nqj s LEU 31 Ca 0.29 -0.23 -0.03 0.00 0.06 0.00 0.00 54.13 54.21 2nqj s LEU 31 Cb 0.00 1.96 -0.03 0.00 -0.56 0.00 0.00 46.19 47.56 2nqj s LEU 31 CO 0.12 -0.69 -0.01 -0.36 -1.06 0.00 0.00 176.35 174.35 2nqj s PHE 32 N -3.06 3.11 -1.96 3.48 0.40 -1.26 -0.21 117.98 118.49 2nqj s PHE 32 Ca 0.10 -0.02 0.30 0.00 -0.60 0.00 0.00 56.93 56.72 2nqj s PHE 32 Cb -0.00 -1.89 1.57 0.00 0.51 0.00 0.00 43.02 43.20 2nqj s PHE 32 CO -0.02 0.22 2.04 0.25 0.70 0.00 0.00 175.22 178.41 2nqj n THR 33 N 2.89 0.00 -3.59 0.64 -2.24 -1.26 -4.83 114.28 105.88 2nqj n THR 33 Ca -0.18 -0.06 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 2nqj n THR 33 Cb 0.53 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.51 2nqj n THR 33 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2nqj s LYS 34 N -2.16 1.20 -0.25 -0.78 -2.85 -1.26 -5.03 119.74 108.61 2nqj s LYS 34 Ca 0.40 -0.54 -0.38 0.00 -1.00 0.00 0.00 55.97 54.45 2nqj s LYS 34 Cb 0.21 0.49 -0.14 0.00 -2.06 0.00 0.00 37.83 36.33 2nqj s LYS 34 CO 0.40 -0.54 1.85 0.09 0.10 0.00 0.00 175.35 177.25 2nqj n ASN 35 N -0.37 2.60 0.10 0.03 5.03 -1.26 -4.83 115.26 116.56 2nqj n ASN 35 Ca -0.10 0.95 0.09 0.00 0.87 0.00 0.00 54.58 56.39 2nqj n ASN 35 Cb 0.62 -1.21 0.40 0.00 -1.02 0.00 0.00 39.78 38.57 2nqj n ASN 35 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2nqj n GLN 36 N 6.14 0.11 -0.39 3.52 3.00 -1.26 -2.47 117.38 126.03 2nqj n GLN 36 Ca 0.28 0.48 0.07 0.00 -0.01 0.00 0.00 57.00 57.82 2nqj n GLN 36 Cb 0.18 -1.77 0.22 0.00 0.00 0.00 0.00 30.24 28.87 2nqj n GLN 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2nqj n ARG 37 N -1.99 2.26 -4.13 -1.09 1.74 -1.26 -1.79 116.66 110.40 2nqj n ARG 37 Ca 0.01 -2.83 -0.16 0.00 -0.77 0.00 0.00 57.85 54.10 2nqj n ARG 37 Cb 0.11 -1.74 -0.15 0.00 -1.02 0.00 0.00 32.46 29.67 2nqj n ARG 37 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2nqj s GLN 38 N -2.91 0.40 0.12 5.56 -0.21 -1.03 -5.03 119.66 116.56 2nqj s GLN 38 Ca 0.39 -0.16 -0.11 0.00 0.02 0.00 0.00 55.36 55.50 2nqj s GLN 38 Cb 0.33 -0.40 -0.09 0.00 1.00 0.00 0.00 33.01 33.85 2nqj s GLN 38 CO 0.05 0.09 1.39 -1.49 -2.12 0.00 0.00 175.29 173.21 2nqj h TRP 39 N 6.11 1.08 -3.29 0.91 4.06 -1.93 -3.46 115.95 119.43 2nqj h TRP 39 Ca -0.29 -0.41 -0.65 0.00 2.06 0.00 0.00 58.89 59.61 2nqj h TRP 39 Cb 1.19 -0.19 -0.15 0.00 -1.00 0.00 0.00 29.16 29.00 2nqj h TRP 39 CO 0.41 1.24 -0.74 -0.98 -3.56 0.00 0.00 178.44 174.81 2nqj s ARG 40 N -4.02 2.05 0.06 0.49 1.04 -1.26 -4.93 118.95 112.37 2nqj s ARG 40 Ca -0.10 -1.17 -0.10 0.00 -1.04 0.00 0.00 55.73 53.31 2nqj s ARG 40 Cb 0.10 -2.20 0.01 0.00 -2.04 0.00 0.00 34.95 30.81 2nqj s ARG 40 CO 0.89 0.47 0.23 0.00 -0.04 0.00 0.00 175.30 176.84 2nqj s ALA 41 N -1.46 -0.42 0.69 7.88 0.00 -1.26 -4.93 121.76 122.26 2nqj s ALA 41 Ca 0.23 -0.30 -0.15 0.00 0.00 0.00 0.00 51.96 51.73 2nqj s ALA 41 Cb -0.10 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.40 2nqj s ALA 41 CO 0.14 -0.43 1.17 0.00 0.00 0.00 0.00 175.76 176.65 2nqj s ALA 42 N -2.97 2.29 0.65 0.00 0.00 -1.26 -4.97 121.76 115.50 2nqj s ALA 42 Ca -0.02 0.77 -0.16 0.00 0.00 0.00 0.00 51.96 52.56 2nqj s ALA 42 Cb 0.01 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 2nqj s ALA 42 CO -0.06 -1.58 1.13 -2.14 0.00 0.00 0.00 175.76 173.11 2nqj s PRO 43 N -3.90 2.80 0.34 0.00 0.02 -1.26 -5.00 135.00 128.01 2nqj s PRO 43 Ca 0.72 1.49 -0.27 0.00 0.02 0.00 0.00 61.00 62.96 2nqj s PRO 43 Cb -0.26 -1.94 -0.09 0.00 0.02 0.00 0.00 34.50 32.23 2nqj s PRO 43 CO 0.42 -1.26 1.07 -0.51 -0.33 0.00 0.00 177.00 176.39 2nqj s LEU 44 N -4.71 4.34 0.21 -5.54 1.43 -1.26 -5.04 118.68 108.12 2nqj s LEU 44 Ca 0.69 2.15 -0.01 0.00 -1.03 0.00 0.00 54.13 55.93 2nqj s LEU 44 Cb -0.22 -3.91 -0.04 0.00 0.03 0.00 0.00 46.19 42.04 2nqj s LEU 44 CO 0.39 -0.32 0.41 0.42 0.23 0.00 0.00 176.35 177.48 2nqj s THR 45 N -1.41 5.18 0.48 5.49 -4.23 -1.26 -4.97 115.64 114.93 2nqj s THR 45 Ca 0.51 -0.32 0.19 0.00 -1.18 0.00 0.00 61.69 60.89 2nqj s THR 45 Cb -0.27 -3.73 0.35 0.00 1.34 0.00 0.00 72.50 70.19 2nqj s THR 45 CO 0.34 -0.19 2.00 0.74 -0.54 0.00 0.00 174.62 176.97 2nqj h THR 46 N 1.52 0.83 0.11 3.99 2.02 -1.99 -1.22 112.91 118.16 2nqj h THR 46 Ca -0.48 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 2nqj h THR 46 Cb 1.19 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 2nqj h THR 46 CO 0.68 0.04 -0.05 -0.61 0.37 0.00 0.00 175.52 175.94 2nqj h GLN 47 N 0.20 -0.14 -0.55 6.66 4.15 -1.98 -0.22 115.11 123.22 2nqj h GLN 47 Ca 0.25 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.79 2nqj h GLN 47 Cb 0.71 0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.34 2nqj h GLN 47 CO -0.04 0.24 -0.02 1.15 -1.93 0.00 0.00 178.83 178.23 2nqj h THR 48 N -0.56 0.54 -0.20 2.39 2.02 -1.64 0.18 112.91 115.64 2nqj h THR 48 Ca -0.02 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 2nqj h THR 48 Cb 0.45 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2nqj h THR 48 CO 0.02 0.02 0.12 0.40 0.37 0.00 0.00 175.52 176.45 2nqj h ILE 49 N 0.10 1.09 0.23 3.11 2.04 -1.29 -0.19 117.51 122.59 2nqj h ILE 49 Ca 0.28 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2nqj h ILE 49 Cb 0.44 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2nqj h ILE 49 CO -0.48 0.08 -0.11 0.44 0.00 0.00 0.00 178.15 178.08 2nqj h ASP 50 N 0.23 -0.26 0.12 1.72 3.45 -0.14 -1.60 116.42 119.94 2nqj h ASP 50 Ca 0.07 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 57.41 2nqj h ASP 50 Cb 0.03 0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 38.86 2nqj h ASP 50 CO -0.01 -0.07 -0.11 -0.33 -1.57 0.00 0.00 179.24 177.15 2nqj h GLU 51 N -0.45 0.00 -0.07 3.56 5.08 -0.65 -0.65 114.58 121.41 2nqj h GLU 51 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2nqj h GLU 51 Cb 0.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2nqj h GLU 51 CO 0.05 0.11 -0.03 0.35 -1.00 0.00 0.00 179.01 178.49 2nqj h PHE 52 N 0.00 0.17 -0.45 4.33 3.57 -0.75 -1.33 116.94 122.47 2nqj h PHE 52 Ca -0.00 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2nqj h PHE 52 Cb 0.20 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 2nqj h PHE 52 CO 0.00 0.51 0.15 0.87 -2.23 0.00 0.00 178.31 177.61 2nqj h LYS 53 N -0.23 0.66 -0.28 1.11 1.57 -0.87 -0.97 116.57 117.56 2nqj h LYS 53 Ca 0.02 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 2nqj h LYS 53 Cb 0.47 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2nqj h LYS 53 CO 0.01 0.57 -0.33 0.00 -0.57 0.00 0.00 179.45 179.13 2nqj h ALA 54 N 1.52 0.90 -0.21 3.86 0.00 -1.05 -0.98 119.26 123.30 2nqj h ALA 54 Ca 0.15 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 2nqj h ALA 54 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2nqj h ALA 54 CO -0.01 0.63 -0.52 0.00 0.00 0.00 0.00 179.25 179.35 2nqj h ALA 55 N 1.12 0.34 -0.85 0.00 0.00 -0.70 -1.82 119.26 117.36 2nqj h ALA 55 Ca 0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2nqj h ALA 55 Cb 0.82 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2nqj h ALA 55 CO 0.07 0.53 0.49 0.00 0.00 0.00 0.00 179.25 180.34 2nqj h GLU 57 N 1.17 -0.24 -0.41 0.00 5.08 -1.12 0.18 114.58 119.24 2nqj h GLU 57 Ca 0.30 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.76 2nqj h GLU 57 Cb -0.02 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.21 2nqj h GLU 57 CO -0.05 0.04 -0.12 -0.22 -1.00 0.00 0.00 179.01 177.66 2nqj h LYS 58 N -0.53 -0.02 -0.18 2.33 3.64 -1.16 -1.71 116.57 118.95 2nqj h LYS 58 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2nqj h LYS 58 Cb 0.40 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2nqj h LYS 58 CO 0.04 -0.01 0.00 0.66 -2.27 0.00 0.00 179.45 177.87 2nqj n TYR 59 N -5.33 0.24 -2.72 1.91 4.01 -0.43 -4.95 117.16 109.89 2nqj n TYR 59 Ca 0.03 -0.12 -0.10 0.00 -0.16 0.00 0.00 57.90 57.54 2nqj n TYR 59 Cb 0.24 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.32 2nqj n TYR 59 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2nqj n HIS 60 N 0.07 -1.61 -3.81 -0.72 8.25 -0.58 -4.93 115.22 111.89 2nqj n HIS 60 Ca 0.11 0.58 -0.24 0.00 -0.26 0.00 0.00 57.72 57.91 2nqj n HIS 60 Cb 0.21 -3.68 -0.17 0.00 1.12 0.00 0.00 29.99 27.47 2nqj n HIS 60 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2nqj s TYR 61 N -3.26 0.92 0.55 4.41 2.02 0.54 -4.96 117.35 117.57 2nqj s TYR 61 Ca 0.25 -0.36 0.09 0.00 -0.37 0.00 0.00 57.07 56.68 2nqj s TYR 61 Cb -0.03 -0.94 0.07 0.00 -0.40 0.00 0.00 41.96 40.66 2nqj s TYR 61 CO 0.49 -0.39 0.75 0.95 -1.57 0.00 0.00 175.55 175.77 2nqj s THR 62 N 1.89 2.26 0.40 -0.71 -4.23 -1.26 -4.32 115.64 109.67 2nqj s THR 62 Ca 0.05 -1.02 0.13 0.00 -1.18 0.00 0.00 61.69 59.67 2nqj s THR 62 Cb -0.13 -2.27 0.33 0.00 1.34 0.00 0.00 72.50 71.78 2nqj s THR 62 CO -0.06 0.00 1.93 -1.28 -0.54 0.00 0.00 174.62 174.67 2nqj h SER 63 N 0.27 0.48 0.31 3.99 0.87 -1.93 -0.39 113.55 117.13 2nqj h SER 63 Ca -0.31 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2nqj h SER 63 Cb 1.29 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2nqj h SER 63 CO 0.42 0.26 0.00 0.00 -0.53 0.00 0.00 176.83 176.98 2nqj h ALA 64 N 1.64 1.00 -0.03 6.23 0.00 -1.94 -2.32 119.26 123.84 2nqj h ALA 64 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2nqj h ALA 64 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2nqj h ALA 64 CO -0.12 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.17 2nqj n GLN 65 N -2.63 1.77 -5.03 0.00 6.02 -0.16 -4.11 117.38 113.25 2nqj n GLN 65 Ca -0.01 -1.69 -0.32 0.00 -0.01 0.00 0.00 57.00 54.97 2nqj n GLN 65 Cb 0.13 -1.38 -0.15 0.00 1.02 0.00 0.00 30.24 29.86 2nqj n GLN 65 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2nqj s ILE 66 N -1.66 2.65 -0.42 5.09 1.01 -0.87 -1.51 121.20 125.48 2nqj s ILE 66 Ca 0.23 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 60.05 2nqj s ILE 66 Cb 0.17 -2.02 0.12 0.00 0.01 0.00 0.00 42.46 40.74 2nqj s ILE 66 CO 0.25 0.57 0.19 -0.22 0.00 0.00 0.00 174.94 175.73 2nqj s LEU 67 N -0.37 3.33 0.57 2.97 2.96 -0.42 -4.65 118.68 123.07 2nqj s LEU 67 Ca 0.03 -2.47 -0.16 0.00 -0.22 0.00 0.00 54.13 51.31 2nqj s LEU 67 Cb -0.12 -1.25 -0.05 0.00 0.50 0.00 0.00 46.19 45.27 2nqj s LEU 67 CO 0.02 -0.30 1.03 -2.16 -1.32 0.00 0.00 176.35 173.62 2nqj s PRO 68 N 0.50 3.51 0.02 0.98 0.04 -1.25 -3.27 135.00 135.53 2nqj s PRO 68 Ca 0.15 1.11 0.07 0.00 0.04 0.00 0.00 61.00 62.38 2nqj s PRO 68 Cb -0.23 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 2nqj s PRO 68 CO -0.05 -0.64 -0.22 -1.01 0.04 0.00 0.00 177.00 175.11 2nqj s HIS 69 N -2.53 1.99 0.87 0.56 3.76 0.71 0.13 115.29 120.77 2nqj s HIS 69 Ca 0.62 -0.38 -0.12 0.00 -0.15 0.00 0.00 55.06 55.03 2nqj s HIS 69 Cb -0.14 -1.23 0.15 0.00 1.11 0.00 0.00 32.58 32.47 2nqj s HIS 69 CO 0.36 0.04 1.21 0.16 -0.85 0.00 0.00 174.74 175.66 2nqj s ASP 70 N -0.88 3.76 0.83 1.40 -4.77 -0.68 -4.27 116.67 112.05 2nqj s ASP 70 Ca 0.09 0.29 -0.11 0.00 -3.30 0.00 0.00 52.55 49.51 2nqj s ASP 70 Cb -0.09 -0.54 0.09 0.00 -1.09 0.00 0.00 42.92 41.30 2nqj s ASP 70 CO 0.01 -2.31 1.09 -0.94 0.70 0.00 0.00 175.17 173.71 2nqj s SER 71 N -4.77 4.04 0.06 2.11 1.04 -1.26 -4.93 113.70 109.99 2nqj s SER 71 Ca 0.69 1.63 0.27 0.00 0.48 0.00 0.00 55.95 59.02 2nqj s SER 71 Cb -0.06 -2.33 1.08 0.00 0.10 0.00 0.00 66.02 64.81 2nqj s SER 71 CO 0.50 -2.30 1.85 -1.22 0.98 0.00 0.00 173.24 173.05 2nqj n TYR 72 N -3.68 0.25 0.11 5.02 0.53 -0.74 -3.62 117.16 115.02 2nqj n TYR 72 Ca 0.08 0.07 0.00 0.00 -1.02 0.00 0.00 57.90 57.04 2nqj n TYR 72 Cb 0.54 -0.62 -0.02 0.00 -1.03 0.00 0.00 39.34 38.21 2nqj n TYR 72 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 2nqj h LEU 73 N 0.00 0.00 -9.64 7.72 3.38 -1.92 -3.46 115.31 111.39 2nqj h LEU 73 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2nqj h LEU 73 Cb 0.53 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.30 2nqj h LEU 73 CO 0.00 0.60 0.58 -0.63 0.09 0.00 0.00 178.44 179.09 2nqj s ILE 74 N -2.91 3.54 -0.36 1.22 1.01 -1.24 -4.98 121.20 117.49 2nqj s ILE 74 Ca 0.02 1.26 -0.00 0.00 0.00 0.00 0.00 60.65 61.93 2nqj s ILE 74 Cb 0.08 -3.80 0.12 0.00 0.01 0.00 0.00 42.46 38.87 2nqj s ILE 74 CO 0.77 0.18 0.17 0.21 0.00 0.00 0.00 174.94 176.28 2nqj s ASN 75 N 0.32 3.60 0.00 3.58 3.84 -1.26 -4.91 114.94 120.11 2nqj s ASN 75 Ca 0.55 -2.05 0.12 0.00 0.21 0.00 0.00 52.86 51.68 2nqj s ASN 75 Cb -0.33 -0.75 0.70 0.00 -0.55 0.00 0.00 41.25 40.32 2nqj s ASN 75 CO 0.36 -0.34 1.16 0.18 -2.79 0.00 0.00 177.10 175.67 2nqj n LEU 76 N 4.27 0.00 -0.64 3.21 4.77 -1.24 -2.15 117.00 125.22 2nqj n LEU 76 Ca 0.04 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.08 2nqj n LEU 76 Cb 0.38 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.58 2nqj n LEU 76 CO 0.15 0.00 0.33 0.61 -1.33 0.00 0.00 177.39 177.15 2nqj n GLY 77 N 0.13 3.20 3.73 -0.72 0.00 -1.26 -2.86 105.19 107.40 2nqj n GLY 77 Ca 0.09 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2nqj n GLY 77 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2nqj s HIS 78 N -1.75 2.88 0.23 1.61 2.46 -0.92 -4.54 115.29 115.26 2nqj s HIS 78 Ca 0.28 0.46 -0.05 0.00 0.47 0.00 0.00 55.06 56.23 2nqj s HIS 78 Cb 0.28 -4.11 0.22 0.00 -0.13 0.00 0.00 32.58 28.83 2nqj s HIS 78 CO -0.05 -4.09 1.69 -1.00 -2.47 0.00 0.00 174.74 168.82 2nqj h PRO 79 N 6.34 0.87 -6.08 2.88 0.13 -1.82 -3.42 132.00 130.90 2nqj h PRO 79 Ca -0.44 -0.28 -0.59 0.00 -0.87 0.00 0.00 66.00 63.83 2nqj h PRO 79 Cb 1.21 -0.08 -0.09 0.00 0.13 0.00 0.00 31.00 32.17 2nqj h PRO 79 CO 0.92 0.90 0.63 0.08 -0.23 0.00 0.00 178.00 180.30 2nqj s VAL 80 N -4.89 4.61 0.07 1.56 1.01 -1.26 -4.98 120.40 116.51 2nqj s VAL 80 Ca -0.10 1.34 -0.13 0.00 0.00 0.00 0.00 61.98 63.09 2nqj s VAL 80 Cb 0.14 -4.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 2nqj s VAL 80 CO 0.83 -0.46 1.22 0.74 0.00 0.00 0.00 175.10 177.43 2nqj h THR 81 N 5.75 0.00 -0.80 3.92 2.02 -1.98 0.23 112.91 122.04 2nqj h THR 81 Ca -0.23 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.14 2nqj h THR 81 Cb 1.08 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.36 2nqj h THR 81 CO 0.98 0.00 0.21 -0.08 0.37 0.00 0.00 175.52 176.99 2nqj h GLU 82 N -0.01 0.25 -0.32 6.66 4.81 -1.97 0.63 114.58 124.64 2nqj h GLU 82 Ca 0.06 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 2nqj h GLU 82 Cb 0.17 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2nqj h GLU 82 CO -0.38 0.17 -0.14 0.00 -0.73 0.00 0.00 179.01 177.93 2nqj h ALA 83 N 1.68 1.16 -0.19 2.92 0.00 -1.62 -1.67 119.26 121.55 2nqj h ALA 83 Ca 0.47 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2nqj h ALA 83 Cb 0.86 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2nqj h ALA 83 CO -0.57 0.53 -0.13 1.25 0.00 0.00 0.00 179.25 180.33 2nqj h LEU 84 N 0.51 0.44 -1.60 0.00 5.85 0.29 -2.54 115.31 118.27 2nqj h LEU 84 Ca 0.09 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 2nqj h LEU 84 Cb 0.54 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2nqj h LEU 84 CO 0.03 0.79 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.38 2nqj h GLU 85 N 0.09 0.00 -0.12 1.25 5.08 0.23 -1.24 114.58 119.88 2nqj h GLU 85 Ca 0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 2nqj h GLU 85 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 2nqj h GLU 85 CO 0.04 0.21 -0.18 -0.22 -1.00 0.00 0.00 179.01 177.85 2nqj h LYS 86 N 0.00 0.33 -0.77 2.33 3.64 -1.22 -1.89 116.57 118.99 2nqj h LYS 86 Ca -0.00 -0.20 0.02 0.00 -1.27 0.00 0.00 60.65 59.20 2nqj h LYS 86 Cb 0.37 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 2nqj h LYS 86 CO 0.03 0.77 0.51 0.77 -2.27 0.00 0.00 179.45 179.26 2nqj h SER 87 N -0.09 0.85 -0.41 4.20 0.02 -1.01 -0.85 113.55 116.26 2nqj h SER 87 Ca 0.01 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 2nqj h SER 87 Cb 0.74 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2nqj h SER 87 CO 0.04 0.60 -0.24 0.03 -1.14 0.00 0.00 176.83 176.12 2nqj h ARG 88 N 0.99 0.89 -0.85 3.45 3.08 -1.17 0.14 114.38 120.92 2nqj h ARG 88 Ca 0.29 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2nqj h ARG 88 Cb -0.04 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 2nqj h ARG 88 CO -0.07 1.06 0.49 -0.44 -1.07 0.00 0.00 179.97 179.93 2nqj h ASP 89 N 0.71 1.03 -0.22 7.04 3.45 -0.65 0.29 116.42 128.06 2nqj h ASP 89 Ca 0.09 -0.07 -0.08 0.00 0.43 0.00 0.00 57.03 57.39 2nqj h ASP 89 Cb 0.81 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 39.32 2nqj h ASP 89 CO 0.07 0.81 -0.18 0.00 -1.57 0.00 0.00 179.24 178.37 2nqj h ALA 90 N 1.37 0.32 -0.60 3.45 0.00 -0.88 -2.20 119.26 120.72 2nqj h ALA 90 Ca 0.30 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2nqj h ALA 90 Cb -0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2nqj h ALA 90 CO -0.05 0.24 0.39 0.35 0.00 0.00 0.00 179.25 180.17 2nqj h PHE 91 N 0.21 0.73 -0.58 0.00 3.57 -0.25 0.79 116.94 121.41 2nqj h PHE 91 Ca 0.04 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 2nqj h PHE 91 Cb 0.71 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 2nqj h PHE 91 CO 0.07 0.44 0.27 0.82 -2.23 0.00 0.00 178.31 177.69 2nqj h ILE 92 N 0.78 1.19 -0.33 1.41 2.04 -0.91 -0.25 117.51 121.43 2nqj h ILE 92 Ca 0.23 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 2nqj h ILE 92 Cb -0.05 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 2nqj h ILE 92 CO -0.07 0.23 -0.12 -0.78 0.00 0.00 0.00 178.15 177.41 2nqj h ASP 93 N 0.82 0.69 -0.73 1.72 1.82 -0.61 0.15 116.42 120.27 2nqj h ASP 93 Ca 0.20 -0.39 -0.02 0.00 -0.39 0.00 0.00 57.03 56.44 2nqj h ASP 93 Cb 0.09 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 39.88 2nqj h ASP 93 CO -0.03 0.92 0.40 -0.33 -1.61 0.00 0.00 179.24 178.59 2nqj h GLU 94 N 0.45 1.04 -0.03 0.28 4.39 -0.37 -0.09 114.58 120.24 2nqj h GLU 94 Ca 0.08 -0.12 -0.18 0.00 0.34 0.00 0.00 59.36 59.48 2nqj h GLU 94 Cb 0.64 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2nqj h GLU 94 CO 0.04 0.77 -0.79 1.98 -1.16 0.00 0.00 179.01 179.85 2nqj h MET 95 N 1.04 0.25 -0.15 2.33 4.05 -0.85 -2.77 114.93 118.82 2nqj h MET 95 Ca 0.26 -0.23 -0.16 0.00 -0.28 0.00 0.00 59.70 59.29 2nqj h MET 95 Cb 0.04 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 2nqj h MET 95 CO -0.04 0.92 -0.58 1.96 0.23 0.00 0.00 176.91 179.39 2nqj h GLN 96 N 0.16 0.50 -0.44 0.39 4.20 -0.46 -1.58 115.11 117.87 2nqj h GLN 96 Ca -0.03 -0.33 -0.04 0.00 0.06 0.00 0.00 58.65 58.31 2nqj h GLN 96 Cb 1.37 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.18 2nqj h GLN 96 CO 0.12 0.94 0.11 0.00 -0.67 0.00 0.00 178.83 179.34 2nqj h ARG 97 N 0.37 0.66 -0.40 1.46 3.08 -0.96 -0.05 114.38 118.55 2nqj h ARG 97 Ca -0.00 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 2nqj h ARG 97 Cb 1.12 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 2nqj h ARG 97 CO 0.11 0.60 -0.01 0.00 -1.07 0.00 0.00 179.97 179.60 2nqj h GLU 99 N 0.54 -0.10 -0.89 0.00 5.08 -0.42 0.19 114.58 118.98 2nqj h GLU 99 Ca 0.11 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.56 2nqj h GLU 99 Cb 0.49 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.70 2nqj h GLU 99 CO 0.02 -0.06 0.58 1.96 -1.00 0.00 0.00 179.01 180.51 2nqj h GLN 100 N -0.10 0.92 -0.01 2.33 4.20 -0.84 -2.22 115.11 119.39 2nqj h GLN 100 Ca 0.07 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.72 2nqj h GLN 100 Cb 0.20 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2nqj h GLN 100 CO -0.16 0.61 -0.06 1.28 -0.67 0.00 0.00 178.83 179.82 2nqj n LEU 101 N -4.51 0.75 -0.19 1.46 4.77 -0.44 -4.91 117.00 113.94 2nqj n LEU 101 Ca 0.14 -0.18 -0.02 0.00 -0.03 0.00 0.00 56.01 55.92 2nqj n LEU 101 Cb 0.26 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2nqj n LEU 101 CO 0.32 0.13 -0.02 0.61 -1.33 0.00 0.00 177.39 177.10 2nqj n GLY 102 N 1.19 0.58 3.79 -0.72 0.00 -0.66 -4.83 105.19 104.53 2nqj n GLY 102 Ca 0.18 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 2nqj n GLY 102 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nqj s LEU 103 N -0.55 4.45 0.00 0.99 1.43 -0.03 -4.66 118.68 120.31 2nqj s LEU 103 Ca 0.00 1.13 0.15 0.00 -1.03 0.00 0.00 54.13 54.39 2nqj s LEU 103 Cb 0.00 -2.84 0.10 0.00 0.03 0.00 0.00 46.19 43.48 2nqj s LEU 103 CO 0.00 0.19 0.95 -1.54 0.23 0.00 0.00 176.35 176.19 2nqj n SER 104 N 2.29 2.14 -4.25 2.29 3.41 -1.26 -4.20 113.62 114.04 2nqj n SER 104 Ca -0.09 -1.57 -0.19 0.00 -0.26 0.00 0.00 58.87 56.76 2nqj n SER 104 Cb 0.51 0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.44 2nqj n SER 104 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2nqj s LEU 105 N -1.42 2.40 -0.22 1.04 1.43 -1.26 -1.28 118.68 119.36 2nqj s LEU 105 Ca 0.17 -0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 2nqj s LEU 105 Cb 0.13 -0.60 0.12 0.00 0.03 0.00 0.00 46.19 45.86 2nqj s LEU 105 CO 0.23 -0.12 0.36 -0.22 0.23 0.00 0.00 176.35 176.83 2nqj s LEU 106 N -2.45 -0.55 0.05 1.79 2.96 -0.98 -3.96 118.68 115.54 2nqj s LEU 106 Ca 0.09 0.31 -0.22 0.00 -0.22 0.00 0.00 54.13 54.09 2nqj s LEU 106 Cb -0.05 1.03 -0.06 0.00 0.50 0.00 0.00 46.19 47.61 2nqj s LEU 106 CO 0.04 -0.29 0.66 0.21 -1.32 0.00 0.00 176.35 175.64 2nqj s ASN 107 N 2.52 7.11 0.01 3.68 3.84 0.12 -0.25 114.94 131.97 2nqj s ASN 107 Ca 0.09 1.32 -0.22 0.00 0.21 0.00 0.00 52.86 54.26 2nqj s ASN 107 Cb -0.15 -2.41 0.05 0.00 -0.55 0.00 0.00 41.25 38.19 2nqj s ASN 107 CO -0.14 0.13 0.49 0.72 -2.79 0.00 0.00 177.10 175.51 2nqj s PHE 108 N -0.48 -0.40 -0.03 0.43 -0.12 -0.69 -1.69 117.98 115.00 2nqj s PHE 108 Ca 0.33 0.54 -0.30 0.00 -0.05 0.00 0.00 56.93 57.45 2nqj s PHE 108 Cb -0.20 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.44 2nqj s PHE 108 CO 0.20 -0.57 1.12 -1.58 -0.05 0.00 0.00 175.22 174.35 2nqj s HIS 109 N -1.90 3.39 0.11 3.49 5.65 -1.26 -1.76 115.29 123.01 2nqj s HIS 109 Ca -0.08 1.40 -0.34 0.00 0.25 0.00 0.00 55.06 56.28 2nqj s HIS 109 Cb -0.02 -3.32 -0.14 0.00 -1.18 0.00 0.00 32.58 27.93 2nqj s HIS 109 CO 0.02 -0.86 1.54 -1.00 -0.65 0.00 0.00 174.74 173.80 2nqj h PRO 110 N 7.12 -0.66 0.00 2.88 0.13 -1.84 -3.43 132.00 136.20 2nqj h PRO 110 Ca -0.36 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2nqj h PRO 110 Cb 1.18 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.46 2nqj h PRO 110 CO 0.84 -0.44 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 2nqj n GLY 111 N -1.46 -2.35 2.88 1.56 0.00 -1.26 -3.64 105.19 100.93 2nqj n GLY 111 Ca -0.08 -1.34 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 2nqj n GLY 111 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nqj s SER 112 N -1.00 0.04 0.25 1.61 0.01 -1.26 -0.62 113.70 112.73 2nqj s SER 112 Ca 0.00 -0.06 0.24 0.00 1.31 0.00 0.00 55.95 57.44 2nqj s SER 112 Cb 0.00 0.01 0.37 0.00 0.21 0.00 0.00 66.02 66.61 2nqj s SER 112 CO 0.00 -0.04 1.44 1.12 0.41 0.00 0.00 173.24 176.18 2nqj h HIS 113 N 5.96 0.00 -0.77 2.43 2.07 -1.65 -3.38 115.15 119.81 2nqj h HIS 113 Ca -0.25 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.04 2nqj h HIS 113 Cb 1.21 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 31.10 2nqj h HIS 113 CO 0.44 0.00 -0.21 1.28 -3.07 0.00 0.00 177.93 176.37 2nqj n LEU 114 N -2.56 -0.55 -0.89 6.12 4.77 -1.26 -1.24 117.00 121.39 2nqj n LEU 114 Ca 0.03 0.28 -0.11 0.00 -0.03 0.00 0.00 56.01 56.19 2nqj n LEU 114 Cb 0.49 -2.36 -0.04 0.00 -2.33 0.00 0.00 43.42 39.18 2nqj n LEU 114 CO 0.35 -0.88 -0.11 0.23 -1.33 0.00 0.00 177.39 175.65 2nqj n MET 115 N -1.13 -0.77 -0.01 3.23 2.81 -1.26 -4.88 117.12 115.10 2nqj n MET 115 Ca -0.11 0.84 0.04 0.00 -1.81 0.00 0.00 57.70 56.66 2nqj n MET 115 Cb 0.52 -4.82 -0.10 0.00 -0.71 0.00 0.00 33.22 28.11 2nqj n MET 115 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2nqj n GLN 116 N -2.60 0.66 -4.05 0.03 1.13 -0.37 -5.02 117.38 107.15 2nqj n GLN 116 Ca -0.11 -0.10 -0.08 0.00 -1.94 0.00 0.00 57.00 54.77 2nqj n GLN 116 Cb 0.39 -1.31 -0.10 0.00 0.11 0.00 0.00 30.24 29.33 2nqj n GLN 116 CO 0.00 0.00 0.00 -1.50 -1.44 0.00 0.00 177.06 174.12 2nqj s ILE 117 N -2.80 0.18 0.78 5.09 2.07 -1.23 -5.04 121.20 120.25 2nqj s ILE 117 Ca -0.05 -1.47 -0.11 0.00 -1.41 0.00 0.00 60.65 57.61 2nqj s ILE 117 Cb 0.08 -1.06 0.06 0.00 0.13 0.00 0.00 42.46 41.67 2nqj s ILE 117 CO 0.53 -0.81 1.09 -0.94 -1.91 0.00 0.00 174.94 172.90 2nqj s SER 118 N -2.38 4.50 0.24 4.50 1.04 -1.26 -4.81 113.70 115.52 2nqj s SER 118 Ca -0.01 1.77 -0.07 0.00 0.48 0.00 0.00 55.95 58.11 2nqj s SER 118 Cb 0.01 -2.48 0.22 0.00 0.10 0.00 0.00 66.02 63.88 2nqj s SER 118 CO -0.07 -2.03 1.90 -0.33 0.98 0.00 0.00 173.24 173.69 2nqj h GLU 119 N -1.13 1.24 -0.09 4.02 5.08 -2.00 -1.11 114.58 120.61 2nqj h GLU 119 Ca -0.44 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 57.86 2nqj h GLU 119 Cb 1.23 -0.27 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 2nqj h GLU 119 CO 0.52 0.85 -0.18 1.49 -1.00 0.00 0.00 179.01 180.68 2nqj h GLU 120 N 1.27 -0.25 -0.08 2.33 4.81 -1.99 -0.92 114.58 119.75 2nqj h GLU 120 Ca 0.34 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.57 2nqj h GLU 120 Cb -0.10 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 2nqj h GLU 120 CO -0.07 -0.16 0.01 -0.44 -0.73 0.00 0.00 179.01 177.62 2nqj h ASP 121 N -0.26 0.13 -0.36 1.04 3.32 -1.87 -1.29 116.42 117.13 2nqj h ASP 121 Ca 0.08 -0.28 0.08 0.00 0.02 0.00 0.00 57.03 56.93 2nqj h ASP 121 Cb 0.37 -0.03 -0.08 0.00 0.22 0.00 0.00 39.33 39.81 2nqj h ASP 121 CO -0.23 0.37 -0.21 0.00 -1.72 0.00 0.00 179.24 177.44 2nqj h LEU 123 N -0.16 0.81 -0.76 0.00 3.38 -1.13 -0.37 115.31 117.08 2nqj h LEU 123 Ca 0.18 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 2nqj h LEU 123 Cb 0.44 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2nqj h LEU 123 CO -0.46 0.66 -0.59 0.00 0.09 0.00 0.00 178.44 178.14 2nqj h ALA 124 N 1.47 0.96 -0.22 1.53 0.00 0.07 -2.22 119.26 120.85 2nqj h ALA 124 Ca 0.23 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 2nqj h ALA 124 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2nqj h ALA 124 CO -0.04 0.73 -0.47 -0.09 0.00 0.00 0.00 179.25 179.38 2nqj h ARG 125 N 0.08 0.58 -0.08 0.00 2.43 0.93 -1.89 114.38 116.42 2nqj h ARG 125 Ca -0.01 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 2nqj h ARG 125 Cb 1.06 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2nqj h ARG 125 CO 0.08 0.93 -0.01 0.82 -1.51 0.00 0.00 179.97 180.28 2nqj h ILE 126 N 0.46 1.26 -0.74 1.20 2.04 -0.86 -0.05 117.51 120.82 2nqj h ILE 126 Ca 0.03 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.11 2nqj h ILE 126 Cb 0.99 1.66 -0.05 0.00 -0.74 0.00 0.00 36.82 38.68 2nqj h ILE 126 CO 0.09 0.23 0.45 0.00 0.00 0.00 0.00 178.15 178.92 2nqj h ALA 127 N 0.71 1.00 -0.06 1.87 0.00 -1.38 0.08 119.26 121.48 2nqj h ALA 127 Ca 0.02 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2nqj h ALA 127 Cb 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2nqj h ALA 127 CO 0.01 0.18 -0.11 1.49 0.00 0.00 0.00 179.25 180.81 2nqj h GLU 128 N 0.84 -0.16 -0.43 0.00 4.81 -1.11 0.25 114.58 118.77 2nqj h GLU 128 Ca 0.32 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.64 2nqj h GLU 128 Cb 0.13 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 2nqj h GLU 128 CO -0.16 -0.11 -0.04 0.77 -0.73 0.00 0.00 179.01 178.75 2nqj h SER 129 N -0.16 -0.26 0.12 1.04 0.02 0.06 -0.09 113.55 114.28 2nqj h SER 129 Ca 0.06 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 61.14 2nqj h SER 129 Cb 0.25 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 2nqj h SER 129 CO -0.16 -0.09 -0.26 0.40 -1.14 0.00 0.00 176.83 175.58 2nqj h ILE 130 N 0.07 0.43 -0.53 3.27 2.04 -0.02 -0.90 117.51 121.87 2nqj h ILE 130 Ca 0.21 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.18 2nqj h ILE 130 Cb 0.32 0.43 -0.09 0.00 -0.74 0.00 0.00 36.82 36.73 2nqj h ILE 130 CO -0.39 0.00 -0.05 0.78 0.00 0.00 0.00 178.15 178.49 2nqj h ASN 131 N -0.47 -0.34 -0.96 1.72 2.35 0.35 0.12 115.58 118.36 2nqj h ASN 131 Ca 0.03 0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.97 2nqj h ASN 131 Cb 0.49 0.27 -0.06 0.00 0.05 0.00 0.00 38.32 39.07 2nqj h ASN 131 CO -0.15 -0.12 0.63 0.40 -1.65 0.00 0.00 177.43 176.53 2nqj h ILE 132 N 0.07 1.12 -0.35 2.81 2.04 -0.60 0.89 117.51 123.48 2nqj h ILE 132 Ca 0.27 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 2nqj h ILE 132 Cb 0.41 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.34 2nqj h ILE 132 CO -0.49 0.21 -0.10 0.00 0.00 0.00 0.00 178.15 177.77 2nqj h ALA 133 N 1.46 0.48 0.00 1.87 0.00 0.53 -2.52 119.26 121.08 2nqj h ALA 133 Ca 0.40 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 2nqj h ALA 133 Cb 0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2nqj h ALA 133 CO -0.14 0.34 -0.45 -0.07 0.00 0.00 0.00 179.25 178.93 2nqj h LEU 134 N 0.47 0.00 -1.15 0.00 3.38 -0.48 -2.81 115.31 114.73 2nqj h LEU 134 Ca 0.09 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2nqj h LEU 134 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2nqj h LEU 134 CO 0.04 0.45 -0.42 -0.78 0.09 0.00 0.00 178.44 177.82 2nqj h ASP 135 N 0.00 0.00 -0.51 -0.43 -0.00 -0.65 -3.15 116.42 111.68 2nqj h ASP 135 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2nqj h ASP 135 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.25 2nqj h ASP 135 CO 0.06 0.42 0.00 0.29 -0.00 0.00 0.00 179.24 180.01 2nqj n LYS 136 N -3.99 2.94 -4.20 0.28 5.02 -0.97 -5.01 118.16 112.24 2nqj n LYS 136 Ca -0.02 -2.42 -0.16 0.00 -2.02 0.00 0.00 58.31 53.70 2nqj n LYS 136 Cb 0.45 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 2nqj n LYS 136 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2nqj s THR 137 N -1.23 0.00 0.03 -0.18 -4.23 -1.08 -5.03 115.64 103.92 2nqj s THR 137 Ca 0.37 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.01 2nqj s THR 137 Cb 0.21 -2.51 -0.02 0.00 1.34 0.00 0.00 72.50 71.52 2nqj s THR 137 CO 0.22 0.00 -0.08 -1.10 -0.54 0.00 0.00 174.62 173.12 2nqj s GLN 138 N -3.65 0.56 -1.73 3.99 -0.21 -1.26 -4.85 119.66 112.51 2nqj s GLN 138 Ca 0.37 -0.56 0.00 0.00 0.02 0.00 0.00 55.36 55.19 2nqj s GLN 138 Cb 0.03 -0.44 0.00 0.00 1.00 0.00 0.00 33.01 33.60 2nqj s GLN 138 CO 0.20 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 173.88 2nqj n GLY 139 N 2.04 1.00 3.04 3.09 0.00 -1.26 -4.82 105.19 108.28 2nqj n GLY 139 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2nqj n GLY 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nqj s VAL 140 N -2.58 1.65 -0.11 1.61 1.01 -1.26 -4.49 120.40 116.23 2nqj s VAL 140 Ca 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 2nqj s VAL 140 Cb 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2nqj s VAL 140 CO 0.00 0.47 0.52 -0.89 0.00 0.00 0.00 175.10 175.20 2nqj s THR 141 N 1.39 5.16 -0.35 3.92 2.01 -0.41 -4.90 115.64 122.47 2nqj s THR 141 Ca 0.04 1.04 -0.29 0.00 0.31 0.00 0.00 61.69 62.79 2nqj s THR 141 Cb -0.13 -3.86 0.02 0.00 0.01 0.00 0.00 72.50 68.54 2nqj s THR 141 CO -0.10 0.32 1.09 0.00 -0.69 0.00 0.00 174.62 175.23 2nqj s ALA 142 N 0.64 3.43 -0.48 7.40 0.00 0.31 -2.33 121.76 130.73 2nqj s ALA 142 Ca 0.28 -0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.96 2nqj s ALA 142 Cb -0.16 -3.71 0.09 0.00 0.00 0.00 0.00 23.12 19.34 2nqj s ALA 142 CO 0.12 -1.63 0.40 0.08 0.00 0.00 0.00 175.76 174.73 2nqj s VAL 143 N 3.80 5.03 -0.23 0.00 1.01 0.66 -0.01 120.40 130.66 2nqj s VAL 143 Ca 0.46 -1.27 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 2nqj s VAL 143 Cb -0.11 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 2nqj s VAL 143 CO 0.18 -0.66 1.32 -0.63 0.00 0.00 0.00 175.10 175.31 2nqj s ILE 144 N 1.58 4.14 0.12 2.22 1.01 0.23 -1.70 121.20 128.82 2nqj s ILE 144 Ca 0.04 1.33 -0.18 0.00 0.00 0.00 0.00 60.65 61.84 2nqj s ILE 144 Cb -0.26 -4.03 -0.07 0.00 0.01 0.00 0.00 42.46 38.11 2nqj s ILE 144 CO 0.05 -0.31 0.60 -0.70 0.00 0.00 0.00 174.94 174.57 2nqj s GLU 145 N 3.94 4.15 0.69 2.79 2.12 -0.72 -1.43 118.70 130.24 2nqj s GLU 145 Ca 0.57 0.70 -0.11 0.00 0.36 0.00 0.00 54.97 56.49 2nqj s GLU 145 Cb -0.20 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.11 2nqj s GLU 145 CO 0.20 0.55 1.06 0.54 -0.54 0.00 0.00 175.26 177.07 2nqj s ASN 146 N -1.39 5.43 0.39 -1.70 4.22 -0.99 -4.34 114.94 116.55 2nqj s ASN 146 Ca 0.34 1.62 0.04 0.00 -2.14 0.00 0.00 52.86 52.72 2nqj s ASN 146 Cb -0.18 -2.50 -0.06 0.00 1.28 0.00 0.00 41.25 39.80 2nqj s ASN 146 CO 0.20 -1.41 0.05 0.42 -2.04 0.00 0.00 177.10 174.31 2nqj s THR 147 N -3.03 1.35 -0.07 0.54 -4.23 0.62 -4.70 115.64 106.13 2nqj s THR 147 Ca 0.58 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 59.24 2nqj s THR 147 Cb -0.14 -2.71 0.05 0.00 1.34 0.00 0.00 72.50 71.03 2nqj s THR 147 CO 0.54 0.00 1.48 0.00 -0.54 0.00 0.00 174.62 176.10 2nqj h ALA 148 N 1.86 0.69 -0.11 3.99 0.00 -1.88 -3.37 119.26 120.45 2nqj h ALA 148 Ca -0.41 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2nqj h ALA 148 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2nqj h ALA 148 CO 0.72 0.67 0.00 0.41 0.00 0.00 0.00 179.25 181.05 2nqj n GLY 149 N 1.06 1.30 3.77 0.00 0.00 -1.26 -3.66 105.19 106.40 2nqj n GLY 149 Ca 0.01 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 2nqj n GLY 149 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nqj s GLN 150 N -1.23 4.32 2.50 1.61 -0.21 -1.22 -4.72 119.66 120.69 2nqj s GLN 150 Ca 0.00 1.62 0.00 0.00 0.02 0.00 0.00 55.36 57.00 2nqj s GLN 150 Cb 0.00 -2.76 0.00 0.00 1.00 0.00 0.00 33.01 31.25 2nqj s GLN 150 CO 0.00 -0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.55 2nqj n GLY 151 N 0.64 2.84 1.82 3.09 0.00 -1.26 0.40 105.19 112.72 2nqj n GLY 151 Ca 0.03 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.33 2nqj n GLY 151 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2nqj n SER 152 N 3.72 5.54 -4.67 1.61 3.41 -1.26 -4.96 113.62 117.01 2nqj n SER 152 Ca 0.00 -2.84 -0.42 0.00 -0.26 0.00 0.00 58.87 55.34 2nqj n SER 152 Cb 0.00 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.26 2nqj n SER 152 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2nqj s ASN 153 N -0.84 6.66 0.67 4.04 -0.87 0.16 -2.03 114.94 122.73 2nqj s ASN 153 Ca 0.54 2.31 -0.01 0.00 -1.57 0.00 0.00 52.86 54.13 2nqj s ASN 153 Cb 0.40 -2.54 0.09 0.00 -0.02 0.00 0.00 41.25 39.18 2nqj s ASN 153 CO 0.18 -0.90 0.93 -0.76 -2.57 0.00 0.00 177.10 173.98 2nqj s LEU 154 N 3.53 3.05 0.00 0.60 1.43 0.21 -4.48 118.68 123.02 2nqj s LEU 154 Ca 0.73 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 2nqj s LEU 154 Cb -0.35 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.54 2nqj s LEU 154 CO 0.30 -1.63 0.00 0.61 0.23 0.00 0.00 176.35 175.87 2nqj n GLY 155 N -2.69 0.72 0.20 -3.19 0.00 -1.26 -4.53 105.19 94.43 2nqj n GLY 155 Ca 0.12 -0.41 0.12 0.00 0.00 0.00 0.00 46.02 45.85 2nqj n GLY 155 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2nqj n PHE 156 N -2.48 0.00 -4.78 1.61 1.16 -1.26 -0.28 117.46 111.44 2nqj n PHE 156 Ca 0.00 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.25 2nqj n PHE 156 Cb 0.00 -0.09 -0.12 0.00 -1.61 0.00 0.00 39.48 37.66 2nqj n PHE 156 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 2nqj s LYS 157 N -2.73 2.61 0.43 3.97 1.02 -1.26 -4.83 119.74 118.95 2nqj s LYS 157 Ca 0.16 -0.63 0.10 0.00 0.02 0.00 0.00 55.97 55.61 2nqj s LYS 157 Cb 0.18 -2.47 0.95 0.00 -0.52 0.00 0.00 37.83 35.97 2nqj s LYS 157 CO 0.66 0.64 2.06 0.74 -0.92 0.00 0.00 175.35 178.53 2nqj h PHE 158 N 5.31 0.34 -0.41 3.18 0.05 -1.99 -0.98 116.94 122.44 2nqj h PHE 158 Ca -0.47 0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.33 2nqj h PHE 158 Cb 1.16 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.98 2nqj h PHE 158 CO 0.53 0.25 0.27 0.93 -0.18 0.00 0.00 178.31 180.11 2nqj h GLU 159 N 0.35 0.52 0.19 1.51 3.07 -1.94 -2.05 114.58 116.23 2nqj h GLU 159 Ca 0.09 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.91 2nqj h GLU 159 Cb 0.03 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.82 2nqj h GLU 159 CO -0.01 0.34 -0.11 0.45 -1.40 0.00 0.00 179.01 178.28 2nqj h HIS 160 N 0.54 -0.28 0.39 4.33 3.86 -1.56 -0.69 115.15 121.73 2nqj h HIS 160 Ca 0.15 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 2nqj h HIS 160 Cb -0.03 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.51 2nqj h HIS 160 CO -0.00 -0.17 -0.44 -0.07 0.86 0.00 0.00 177.93 178.11 2nqj h LEU 161 N -0.28 -1.21 -0.89 2.43 3.38 -1.39 -1.52 115.31 115.83 2nqj h LEU 161 Ca -0.02 0.10 0.22 0.00 0.09 0.00 0.00 57.88 58.28 2nqj h LEU 161 Cb 0.23 0.41 -0.13 0.00 0.09 0.00 0.00 40.66 41.27 2nqj h LEU 161 CO 0.02 -0.58 0.37 0.00 0.09 0.00 0.00 178.44 178.35 2nqj h ALA 162 N -0.54 1.42 -0.56 1.53 0.00 -1.30 0.18 119.26 119.99 2nqj h ALA 162 Ca -0.03 0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2nqj h ALA 162 Cb 0.77 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 2nqj h ALA 162 CO -0.09 -0.37 0.31 0.00 0.00 0.00 0.00 179.25 179.10 2nqj h ALA 163 N 1.72 0.72 -0.09 0.00 0.00 -0.31 0.54 119.26 121.84 2nqj h ALA 163 Ca 0.56 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.45 2nqj h ALA 163 Cb 1.08 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2nqj h ALA 163 CO -0.55 -0.01 -0.05 0.82 0.00 0.00 0.00 179.25 179.46 2nqj h ILE 164 N 0.60 1.33 -0.66 0.00 2.04 0.21 -2.79 117.51 118.25 2nqj h ILE 164 Ca 0.24 -1.11 0.10 0.00 1.00 0.00 0.00 64.86 65.09 2nqj h ILE 164 Cb 0.10 1.89 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 2nqj h ILE 164 CO -0.14 0.31 0.44 0.40 0.00 0.00 0.00 178.15 179.16 2nqj h ILE 165 N -0.19 0.91 0.08 -0.67 2.04 -0.64 -1.98 117.51 117.05 2nqj h ILE 165 Ca 0.02 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2nqj h ILE 165 Cb 0.52 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2nqj h ILE 165 CO 0.02 0.09 -0.15 -0.78 0.00 0.00 0.00 178.15 177.33 2nqj h ASP 166 N 0.50 -0.40 0.00 1.72 1.82 -0.68 -2.26 116.42 117.12 2nqj h ASP 166 Ca 0.30 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.99 2nqj h ASP 166 Cb 0.52 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.69 2nqj h ASP 166 CO -0.09 -0.21 0.00 0.61 -1.61 0.00 0.00 179.24 177.93 2nqj n GLY 167 N -1.27 -0.89 3.74 -0.78 0.00 -0.77 -4.76 105.19 100.46 2nqj n GLY 167 Ca -0.06 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 2nqj n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nqj s VAL 168 N -2.00 5.22 -0.01 1.61 1.01 -0.85 -4.66 120.40 120.71 2nqj s VAL 168 Ca 0.11 0.78 -0.11 0.00 0.00 0.00 0.00 61.98 62.77 2nqj s VAL 168 Cb 0.05 -3.73 -0.06 0.00 0.00 0.00 0.00 36.38 32.64 2nqj s VAL 168 CO 0.09 0.38 0.70 -0.33 0.00 0.00 0.00 175.10 175.94 2nqj h GLU 169 N 6.45 -0.37 -5.71 2.72 5.08 -1.85 -3.39 114.58 117.50 2nqj h GLU 169 Ca -0.42 0.03 -0.64 0.00 -1.00 0.00 0.00 59.36 57.32 2nqj h GLU 169 Cb 1.18 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 30.39 2nqj h GLU 169 CO 0.74 -0.25 1.32 0.34 -1.00 0.00 0.00 179.01 180.16 2nqj s ASP 170 N -3.62 6.57 0.61 1.42 -1.08 -1.26 -4.83 116.67 114.49 2nqj s ASP 170 Ca -0.06 -1.74 0.32 0.00 -0.52 0.00 0.00 52.55 50.56 2nqj s ASP 170 Cb 0.01 -2.51 1.86 0.00 -1.46 0.00 0.00 42.92 40.81 2nqj s ASP 170 CO 0.17 -1.33 2.19 0.11 0.52 0.00 0.00 175.17 176.83 2nqj h LYS 171 N 9.30 0.00 0.00 4.34 1.79 -1.92 -2.38 116.57 127.70 2nqj h LYS 171 Ca 0.20 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.63 2nqj h LYS 171 Cb 1.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.65 2nqj h LYS 171 CO 1.32 0.00 -0.20 0.66 -1.08 0.00 0.00 179.45 180.15 2nqj h SER 172 N 0.00 0.00 -0.67 0.86 4.64 -1.97 -3.15 113.55 113.26 2nqj h SER 172 Ca 0.03 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.92 2nqj h SER 172 Cb 0.24 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.07 2nqj h SER 172 CO -0.00 0.20 -0.00 0.54 -0.87 0.00 0.00 176.83 176.70 2nqj n ARG 173 N -3.99 2.58 -4.23 4.77 1.74 -0.90 -4.95 116.66 111.68 2nqj n ARG 173 Ca -0.02 -3.48 -0.18 0.00 -0.77 0.00 0.00 57.85 53.40 2nqj n ARG 173 Cb 0.28 -2.09 -0.15 0.00 -1.02 0.00 0.00 32.46 29.48 2nqj n ARG 173 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2nqj s VAL 174 N -4.03 0.53 0.27 1.55 0.11 -1.19 -0.53 120.40 117.11 2nqj s VAL 174 Ca 0.52 -0.25 -0.03 0.00 -2.93 0.00 0.00 61.98 59.30 2nqj s VAL 174 Cb 0.44 -0.47 0.01 0.00 -1.53 0.00 0.00 36.38 34.83 2nqj s VAL 174 CO 0.02 0.17 0.39 0.61 -3.33 0.00 0.00 175.10 172.95 2nqj n GLY 175 N 3.15 2.23 3.20 6.54 0.00 0.99 -4.89 105.19 116.40 2nqj n GLY 175 Ca -0.16 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.22 2nqj n GLY 175 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nqj s VAL 176 N -2.67 0.95 -0.06 1.61 -7.23 0.46 0.78 120.40 114.24 2nqj s VAL 176 Ca 0.21 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.52 2nqj s VAL 176 Cb -0.01 -1.61 0.02 0.00 0.56 0.00 0.00 36.38 35.34 2nqj s VAL 176 CO 0.15 -0.71 -0.07 0.00 -0.31 0.00 0.00 175.10 174.16 2nqj s ILE 178 N 1.00 5.05 -0.36 0.00 -1.09 -1.02 -2.35 121.20 122.43 2nqj s ILE 178 Ca -0.09 0.08 -0.14 0.00 -2.23 0.00 0.00 60.65 58.26 2nqj s ILE 178 Cb -0.14 -3.39 -0.01 0.00 -1.58 0.00 0.00 42.46 37.34 2nqj s ILE 178 CO -0.00 0.29 0.29 -0.62 -1.23 0.00 0.00 174.94 173.67 2nqj s ASP 179 N 1.61 6.10 0.22 3.58 3.68 -1.26 -1.00 116.67 129.60 2nqj s ASP 179 Ca 0.07 -0.52 -0.08 0.00 2.13 0.00 0.00 52.55 54.15 2nqj s ASP 179 Cb -0.15 -2.16 0.33 0.00 -1.45 0.00 0.00 42.92 39.48 2nqj s ASP 179 CO 0.08 -0.33 1.76 0.71 0.13 0.00 0.00 175.17 177.53 2nqj h THR 180 N 5.55 0.80 -0.31 1.71 1.35 -1.49 -1.01 112.91 119.52 2nqj h THR 180 Ca -0.30 -0.18 0.01 0.00 -0.55 0.00 0.00 66.41 65.40 2nqj h THR 180 Cb 1.14 0.24 -0.02 0.00 -1.73 0.00 0.00 68.15 67.78 2nqj h THR 180 CO 0.68 0.09 0.17 0.00 -0.25 0.00 0.00 175.52 176.22 2nqj h HIS 182 N 0.36 0.61 -0.48 0.00 3.86 -1.66 0.68 115.15 118.52 2nqj h HIS 182 Ca 0.12 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 2nqj h HIS 182 Cb 0.00 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.25 2nqj h HIS 182 CO -0.08 0.36 0.32 0.00 0.86 0.00 0.00 177.93 179.39 2nqj h ALA 183 N 1.22 0.61 0.15 2.45 0.00 -0.92 -0.79 119.26 121.99 2nqj h ALA 183 Ca 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2nqj h ALA 183 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2nqj h ALA 183 CO -0.07 0.05 -0.07 0.35 0.00 0.00 0.00 179.25 179.50 2nqj h PHE 184 N 0.64 -0.19 -0.90 0.00 3.57 -0.83 0.24 116.94 119.48 2nqj h PHE 184 Ca 0.18 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.81 2nqj h PHE 184 Cb -0.06 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.67 2nqj h PHE 184 CO -0.05 -0.07 0.58 0.00 -2.23 0.00 0.00 178.31 176.54 2nqj h ALA 185 N 0.59 1.76 0.00 2.41 0.00 -0.63 0.33 119.26 123.71 2nqj h ALA 185 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2nqj h ALA 185 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2nqj h ALA 185 CO 0.03 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.30 2nqj h ALA 186 N 1.59 1.00 0.00 0.00 0.00 -0.64 0.18 119.26 121.38 2nqj h ALA 186 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2nqj h ALA 186 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2nqj h ALA 186 CO -0.21 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.45 2nqj n GLY 187 N 0.40 1.37 3.44 0.00 0.00 0.02 -4.77 105.19 105.64 2nqj n GLY 187 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 2nqj n GLY 187 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nqj s TYR 188 N -2.00 3.14 0.44 1.61 1.51 0.01 -4.89 117.35 117.17 2nqj s TYR 188 Ca 0.00 -0.62 -0.25 0.00 -1.01 0.00 0.00 57.07 55.19 2nqj s TYR 188 Cb 0.00 -3.28 -0.08 0.00 -0.11 0.00 0.00 41.96 38.50 2nqj s TYR 188 CO 0.00 -0.88 1.28 0.34 -1.11 0.00 0.00 175.55 175.17 2nqj s ASP 189 N 2.46 6.11 0.00 2.29 -1.08 -1.26 -3.50 116.67 121.68 2nqj s ASP 189 Ca 0.11 2.58 0.00 0.00 -0.52 0.00 0.00 52.55 54.72 2nqj s ASP 189 Cb -0.20 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.63 2nqj s ASP 189 CO 0.11 -0.98 0.21 0.18 0.52 0.00 0.00 175.17 175.20 2nqj n LEU 190 N -0.21 0.00 0.04 -1.34 4.77 -1.26 -4.08 117.00 114.93 2nqj n LEU 190 Ca 0.06 -0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.07 2nqj n LEU 190 Cb 0.45 0.00 0.24 0.00 -2.33 0.00 0.00 43.42 41.78 2nqj n LEU 190 CO 0.53 0.03 0.66 0.54 -1.33 0.00 0.00 177.39 177.82 2nqj n ARG 191 N 0.00 0.05 -3.93 3.23 1.74 -1.26 -4.19 116.66 112.30 2nqj n ARG 191 Ca 0.00 0.45 -0.10 0.00 -0.77 0.00 0.00 57.85 57.43 2nqj n ARG 191 Cb 0.36 -1.62 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 2nqj n ARG 191 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2nqj s THR 192 N -3.13 0.12 0.38 0.55 -4.23 -1.26 -4.83 115.64 103.23 2nqj s THR 192 Ca 0.02 -0.96 0.09 0.00 -1.18 0.00 0.00 61.69 59.67 2nqj s THR 192 Cb 0.05 -0.65 0.32 0.00 1.34 0.00 0.00 72.50 73.56 2nqj s THR 192 CO 0.15 -0.53 1.92 -0.65 -0.54 0.00 0.00 174.62 174.97 2nqj h PRO 193 N 4.02 0.63 -0.48 3.99 0.11 -1.90 0.64 132.00 139.00 2nqj h PRO 193 Ca -0.32 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 2nqj h PRO 193 Cb 1.19 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 2nqj h PRO 193 CO 0.46 0.42 0.26 0.00 -0.21 0.00 0.00 178.00 178.92 2nqj h ALA 194 N 1.61 0.62 -0.16 -0.75 0.00 -1.95 0.33 119.26 118.97 2nqj h ALA 194 Ca 0.38 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.07 2nqj h ALA 194 Cb 0.58 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2nqj h ALA 194 CO -0.15 0.15 -0.42 0.93 0.00 0.00 0.00 179.25 179.76 2nqj h GLU 195 N 0.64 0.36 -0.34 0.00 4.39 -1.42 -2.11 114.58 116.10 2nqj h GLU 195 Ca 0.17 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2nqj h GLU 195 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2nqj h GLU 195 CO -0.03 0.72 0.06 0.00 -1.16 0.00 0.00 179.01 178.61 2nqj h GLU 197 N 0.40 0.35 -0.23 0.00 4.57 -0.75 -0.93 114.58 117.99 2nqj h GLU 197 Ca 0.10 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.18 2nqj h GLU 197 Cb 0.34 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.85 2nqj h GLU 197 CO 0.01 0.23 -0.20 0.87 -1.18 0.00 0.00 179.01 178.74 2nqj h LYS 198 N 0.36 0.54 -0.27 1.92 1.57 -1.15 -1.70 116.57 117.83 2nqj h LYS 198 Ca 0.22 -0.27 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2nqj h LYS 198 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2nqj h LYS 198 CO -0.22 0.85 0.08 1.15 -0.57 0.00 0.00 179.45 180.75 2nqj h THR 199 N 0.24 0.92 0.00 -0.16 2.02 -0.30 -2.08 112.91 113.54 2nqj h THR 199 Ca 0.04 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2nqj h THR 199 Cb 0.74 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 2nqj h THR 199 CO 0.05 0.04 0.00 -0.26 0.37 0.00 0.00 175.52 175.72 2nqj h PHE 200 N 0.20 0.00 -0.23 3.16 0.04 -1.21 -1.98 116.94 116.93 2nqj h PHE 200 Ca 0.12 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.71 2nqj h PHE 200 Cb 0.10 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.25 2nqj h PHE 200 CO -0.14 0.00 -0.58 0.00 -0.60 0.00 0.00 178.31 176.99 2nqj h ALA 201 N 2.21 0.53 -0.44 2.45 0.00 -0.89 0.18 119.26 123.29 2nqj h ALA 201 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 2nqj h ALA 201 Cb 0.76 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2nqj h ALA 201 CO 0.00 0.69 0.16 0.22 0.00 0.00 0.00 179.25 180.32 2nqj h ASP 202 N 0.56 0.63 -0.29 0.00 -0.00 -1.10 -0.79 116.42 115.43 2nqj h ASP 202 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 57.03 56.85 2nqj h ASP 202 Cb 1.17 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.33 40.32 2nqj h ASP 202 CO 0.12 0.64 0.19 0.15 -0.00 0.00 0.00 179.24 180.34 2nqj h PHE 203 N 0.58 0.35 -0.15 0.28 3.57 -1.06 -0.79 116.94 119.72 2nqj h PHE 203 Ca 0.15 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.69 2nqj h PHE 203 Cb 0.22 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 2nqj h PHE 203 CO 0.01 0.22 -0.10 0.00 -2.23 0.00 0.00 178.31 176.20 2nqj h ALA 204 N 1.11 0.01 -0.02 2.41 0.00 -0.58 0.36 119.26 122.56 2nqj h ALA 204 Ca 0.11 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2nqj h ALA 204 Cb -0.04 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2nqj h ALA 204 CO -0.03 -0.55 -0.38 0.00 0.00 0.00 0.00 179.25 178.29 2nqj h ARG 205 N -0.11 0.04 0.00 0.00 3.08 -0.97 -1.90 114.38 114.52 2nqj h ARG 205 Ca 0.09 -0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 2nqj h ARG 205 Cb 0.24 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2nqj h ARG 205 CO -0.22 0.42 -2.11 0.25 -1.07 0.00 0.00 179.97 177.25 2nqj n THR 206 N -4.08 0.39 0.00 2.04 -2.24 -0.32 -4.80 114.28 105.28 2nqj n THR 206 Ca -0.02 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2nqj n THR 206 Cb 0.42 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 2nqj n THR 206 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2nqj n VAL 207 N -2.40 0.00 0.00 2.28 0.31 0.11 -4.62 118.33 114.01 2nqj n VAL 207 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2nqj n VAL 207 Cb 0.74 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 2nqj n VAL 207 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nqj n GLY 208 N 2.59 0.39 0.12 2.92 0.00 -0.44 -4.70 105.19 106.07 2nqj n GLY 208 Ca 0.00 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.74 2nqj n GLY 208 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2nqj n PHE 209 N 1.29 0.70 0.27 1.61 3.01 -1.26 -2.53 117.46 120.54 2nqj n PHE 209 Ca 0.00 0.29 0.11 0.00 1.01 0.00 0.00 57.45 58.86 2nqj n PHE 209 Cb 0.00 -0.97 0.73 0.00 -0.01 0.00 0.00 39.48 39.24 2nqj n PHE 209 CO 0.00 0.00 0.00 1.57 1.01 0.00 0.00 176.76 179.34 2nqj h LYS 210 N 0.00 0.00 -0.00 -1.08 2.10 -1.98 -1.30 116.57 114.31 2nqj h LYS 210 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2nqj h LYS 210 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2nqj h LYS 210 CO 0.00 0.06 -0.34 0.66 -2.00 0.00 0.00 179.45 177.82 2nqj n TYR 211 N -4.08 0.00 -2.20 0.07 4.02 -1.05 -4.85 117.16 109.07 2nqj n TYR 211 Ca -0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.43 2nqj n TYR 211 Cb 0.14 -0.22 -0.02 0.00 -0.02 0.00 0.00 39.34 39.22 2nqj n TYR 211 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2nqj s LEU 212 N -2.79 3.66 0.00 7.72 2.96 -0.49 -0.40 118.68 129.34 2nqj s LEU 212 Ca 0.17 1.19 0.14 0.00 -0.22 0.00 0.00 54.13 55.41 2nqj s LEU 212 Cb 0.18 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.26 2nqj s LEU 212 CO 0.61 -1.44 0.67 0.54 -1.32 0.00 0.00 176.35 175.40 2nqj n ARG 213 N 8.01 2.22 -3.59 1.98 5.12 -0.10 -4.92 116.66 125.38 2nqj n ARG 213 Ca 0.19 -0.35 0.04 0.00 -1.93 0.00 0.00 57.85 55.80 2nqj n ARG 213 Cb 0.47 -1.17 0.00 0.00 -1.16 0.00 0.00 32.46 30.60 2nqj n ARG 213 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2nqj s GLY 214 N -2.01 -0.48 0.02 -0.13 0.00 -1.23 -3.90 107.32 99.59 2nqj s GLY 214 Ca 0.08 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.69 2nqj s GLY 214 CO 0.46 0.67 -0.03 1.06 0.00 0.00 0.00 173.10 175.26 2nqj s MET 215 N -2.05 0.33 -0.31 2.90 -1.94 0.19 -2.42 119.30 116.00 2nqj s MET 215 Ca 0.16 -0.64 -0.02 0.00 -1.71 0.00 0.00 55.69 53.49 2nqj s MET 215 Cb 0.07 0.10 0.06 0.00 2.01 0.00 0.00 34.83 37.07 2nqj s MET 215 CO -0.06 -0.05 0.02 -1.01 -0.01 0.00 0.00 175.02 173.91 2nqj s HIS 216 N -1.56 3.30 -0.68 -0.03 3.76 -0.17 0.30 115.29 120.21 2nqj s HIS 216 Ca -0.15 -1.95 -0.21 0.00 -0.15 0.00 0.00 55.06 52.60 2nqj s HIS 216 Cb -0.09 -2.23 0.09 0.00 1.11 0.00 0.00 32.58 31.46 2nqj s HIS 216 CO -0.01 -0.82 0.91 -0.51 -0.85 0.00 0.00 174.74 173.45 2nqj s LEU 217 N 1.23 4.85 -0.02 0.89 1.43 0.17 -1.42 118.68 125.81 2nqj s LEU 217 Ca -0.04 -1.33 0.02 0.00 -1.03 0.00 0.00 54.13 51.75 2nqj s LEU 217 Cb -0.20 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.65 2nqj s LEU 217 CO -0.02 -1.27 -0.06 0.20 0.23 0.00 0.00 176.35 175.44 2nqj s ASN 218 N 3.63 0.92 0.76 2.29 0.01 -1.26 -3.69 114.94 117.60 2nqj s ASN 218 Ca 0.20 -0.14 -0.10 0.00 -0.71 0.00 0.00 52.86 52.11 2nqj s ASN 218 Cb -0.17 -0.28 0.06 0.00 0.41 0.00 0.00 41.25 41.27 2nqj s ASN 218 CO 0.05 0.02 1.12 -0.62 -1.51 0.00 0.00 177.10 176.17 2nqj s ASP 219 N 0.35 4.75 -0.18 -1.22 -1.08 -0.45 -2.78 116.67 116.07 2nqj s ASP 219 Ca -0.05 0.75 -0.03 0.00 -0.52 0.00 0.00 52.55 52.71 2nqj s ASP 219 Cb -0.09 -1.35 -0.02 0.00 -1.46 0.00 0.00 42.92 40.01 2nqj s ASP 219 CO 0.00 -1.72 -0.05 0.00 0.52 0.00 0.00 175.17 173.91 2nqj s ALA 220 N -3.45 2.87 -0.01 3.66 0.00 -1.26 -0.91 121.76 122.66 2nqj s ALA 220 Ca 0.61 -0.96 0.12 0.00 0.00 0.00 0.00 51.96 51.72 2nqj s ALA 220 Cb -0.11 -1.55 -0.17 0.00 0.00 0.00 0.00 23.12 21.28 2nqj s ALA 220 CO 0.48 -0.02 1.00 -0.22 0.00 0.00 0.00 175.76 177.00 2nqj h LYS 221 N 7.23 0.00 -7.59 0.00 3.64 -0.57 0.46 116.57 119.74 2nqj h LYS 221 Ca -0.33 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.57 2nqj h LYS 221 Cb 1.19 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 33.10 2nqj h LYS 221 CO 0.60 0.64 0.40 -1.54 -2.27 0.00 0.00 179.45 177.28 2nqj s SER 222 N -6.30 4.57 0.32 4.20 1.04 -1.20 -4.82 113.70 111.50 2nqj s SER 222 Ca -0.01 0.86 0.04 0.00 0.48 0.00 0.00 55.95 57.31 2nqj s SER 222 Cb 0.09 -1.40 -0.02 0.00 0.10 0.00 0.00 66.02 64.78 2nqj s SER 222 CO 0.81 -1.87 0.47 0.42 0.98 0.00 0.00 173.24 174.05 2nqj s THR 223 N -3.52 4.69 -0.01 2.02 -4.23 -1.26 -4.60 115.64 108.74 2nqj s THR 223 Ca 0.62 -0.83 -0.37 0.00 -1.18 0.00 0.00 61.69 59.92 2nqj s THR 223 Cb -0.11 -3.67 -0.16 0.00 1.34 0.00 0.00 72.50 69.90 2nqj s THR 223 CO 0.50 -0.32 1.49 0.33 -0.54 0.00 0.00 174.62 176.08 2nqj n PHE 224 N -1.64 1.75 -1.33 3.99 -0.00 -1.26 -0.81 117.46 118.16 2nqj n PHE 224 Ca -0.04 0.55 -0.11 0.00 -0.00 0.00 0.00 57.45 57.85 2nqj n PHE 224 Cb 0.57 -2.40 -0.05 0.00 -0.00 0.00 0.00 39.48 37.61 2nqj n PHE 224 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2nqj n GLY 225 N 3.12 1.17 0.21 7.13 0.00 -0.70 -4.88 105.19 111.25 2nqj n GLY 225 Ca 0.21 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.14 2nqj n GLY 225 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2nqj h SER 226 N 0.00 0.00 -3.16 1.61 4.64 -0.14 -3.45 113.55 113.04 2nqj h SER 226 Ca -0.23 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.72 2nqj h SER 226 Cb 0.97 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.07 2nqj h SER 226 CO 0.34 0.24 -0.51 0.54 -0.87 0.00 0.00 176.83 176.57 2nqj n ARG 227 N -3.30 -2.52 -4.52 4.77 1.74 0.54 -4.99 116.66 108.38 2nqj n ARG 227 Ca 0.01 0.88 -0.31 0.00 -0.77 0.00 0.00 57.85 57.66 2nqj n ARG 227 Cb 0.49 -5.47 -0.17 0.00 -1.02 0.00 0.00 32.46 26.29 2nqj n ARG 227 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2nqj s VAL 228 N -3.00 1.85 -0.99 1.55 1.01 -1.26 -3.45 120.40 116.11 2nqj s VAL 228 Ca 0.09 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.02 2nqj s VAL 228 Cb -0.04 -1.66 0.09 0.00 0.00 0.00 0.00 36.38 34.77 2nqj s VAL 228 CO 0.12 0.51 1.30 -0.62 0.00 0.00 0.00 175.10 176.41 2nqj s ASP 229 N 0.95 6.57 -0.23 3.32 3.68 -1.26 -4.67 116.67 125.02 2nqj s ASP 229 Ca -0.05 -1.77 -0.02 0.00 2.13 0.00 0.00 52.55 52.84 2nqj s ASP 229 Cb -0.15 -2.49 0.07 0.00 -1.45 0.00 0.00 42.92 38.91 2nqj s ASP 229 CO -0.03 -1.29 0.05 -0.13 0.13 0.00 0.00 175.17 173.90 2nqj s ARG 230 N 3.85 0.70 0.99 4.34 1.81 -1.26 -5.05 118.95 124.33 2nqj s ARG 230 Ca 0.40 -0.63 -0.13 0.00 -1.72 0.00 0.00 55.73 53.64 2nqj s ARG 230 Cb -0.02 -2.05 0.18 0.00 -0.45 0.00 0.00 34.95 32.61 2nqj s ARG 230 CO -0.09 -0.75 1.13 -1.01 -0.68 0.00 0.00 175.30 173.89 2nqj s HIS 231 N 1.78 2.05 0.04 -0.53 3.76 -1.26 -0.04 115.29 121.09 2nqj s HIS 231 Ca 0.02 0.82 -0.27 0.00 -0.15 0.00 0.00 55.06 55.48 2nqj s HIS 231 Cb -0.17 -3.39 0.08 0.00 1.11 0.00 0.00 32.58 30.21 2nqj s HIS 231 CO -0.14 -2.79 0.71 -1.58 -0.85 0.00 0.00 174.74 170.09 2nqj s HIS 232 N -3.16 -0.52 0.56 1.40 2.46 -0.08 -3.90 115.29 112.04 2nqj s HIS 232 Ca 0.66 0.55 -0.21 0.00 0.47 0.00 0.00 55.06 56.53 2nqj s HIS 232 Cb -0.15 0.51 -0.04 0.00 -0.13 0.00 0.00 32.58 32.76 2nqj s HIS 232 CO 0.55 -0.68 1.35 -1.12 -2.47 0.00 0.00 174.74 172.37 2nqj s SER 233 N -2.13 5.17 -0.17 9.88 0.01 -1.26 -1.34 113.70 123.86 2nqj s SER 233 Ca -0.02 2.75 -0.36 0.00 1.31 0.00 0.00 55.95 59.63 2nqj s SER 233 Cb -0.01 -2.63 -0.13 0.00 0.21 0.00 0.00 66.02 63.46 2nqj s SER 233 CO -0.05 -1.64 1.88 0.18 0.41 0.00 0.00 173.24 174.03 2nqj n LEU 234 N -1.16 3.06 0.00 2.44 4.77 -1.26 -0.98 117.00 123.87 2nqj n LEU 234 Ca 0.11 0.93 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 2nqj n LEU 234 Cb 0.45 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 2nqj n LEU 234 CO 0.52 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 2nqj n GLY 235 N 4.58 1.57 0.07 -0.72 0.00 -1.26 -4.86 105.19 104.56 2nqj n GLY 235 Ca 0.25 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.38 2nqj n GLY 235 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2nqj n GLU 236 N -2.00 0.17 -0.71 1.61 1.02 -0.15 -4.64 120.64 115.94 2nqj n GLU 236 Ca 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 2nqj n GLU 236 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.92 2nqj n GLU 236 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nqj n GLY 237 N 1.49 1.27 0.15 0.62 0.00 -1.23 -4.91 105.19 102.58 2nqj n GLY 237 Ca 0.05 -2.02 0.13 0.00 0.00 0.00 0.00 46.02 44.18 2nqj n GLY 237 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2nqj h ASN 238 N 0.00 0.00 0.04 1.61 2.35 -0.32 -3.29 115.58 115.97 2nqj h ASN 238 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2nqj h ASN 238 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2nqj h ASN 238 CO 0.00 0.00 -0.02 0.40 -1.65 0.00 0.00 177.43 176.16 2nqj h ILE 239 N 0.00 1.27 0.00 2.81 2.04 -1.91 -3.47 117.51 118.25 2nqj h ILE 239 Ca 0.00 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.21 2nqj h ILE 239 Cb 0.71 2.27 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 2nqj h ILE 239 CO 0.00 0.38 0.00 0.61 0.00 0.00 0.00 178.15 179.14 2nqj n GLY 240 N 1.10 1.42 0.13 5.37 0.00 -1.24 -4.44 105.19 107.53 2nqj n GLY 240 Ca -0.08 -1.89 -0.03 0.00 0.00 0.00 0.00 46.02 44.02 2nqj n GLY 240 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2nqj h HIS 241 N 0.00 0.04 -0.88 1.61 2.07 -1.90 -3.31 115.15 112.79 2nqj h HIS 241 Ca 0.00 -0.02 0.19 0.00 -2.85 0.00 0.00 60.37 57.69 2nqj h HIS 241 Cb 0.00 -0.01 -0.11 0.00 2.57 0.00 0.00 27.41 29.86 2nqj h HIS 241 CO 0.00 0.70 0.42 -0.44 -3.07 0.00 0.00 177.93 175.53 2nqj h ASP 242 N 0.02 0.43 -0.61 3.10 3.45 -1.92 -0.73 116.42 120.16 2nqj h ASP 242 Ca -0.01 0.13 0.08 0.00 0.43 0.00 0.00 57.03 57.66 2nqj h ASP 242 Cb 1.20 0.07 -0.07 0.00 -0.56 0.00 0.00 39.33 39.98 2nqj h ASP 242 CO 0.09 0.10 0.26 0.00 -1.57 0.00 0.00 179.24 178.12 2nqj h ALA 243 N 1.64 0.79 -0.25 3.45 0.00 -1.73 0.11 119.26 123.28 2nqj h ALA 243 Ca 0.52 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 55.30 2nqj h ALA 243 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2nqj h ALA 243 CO -0.45 -0.14 -0.59 0.74 0.00 0.00 0.00 179.25 178.81 2nqj h PHE 244 N 0.47 1.04 -0.85 0.00 -1.00 -1.38 -1.64 116.94 113.58 2nqj h PHE 244 Ca 0.30 -0.39 -0.01 0.00 2.81 0.00 0.00 57.97 60.68 2nqj h PHE 244 Cb 0.32 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.65 2nqj h PHE 244 CO -0.14 1.21 0.50 -0.09 -1.61 0.00 0.00 178.31 178.17 2nqj h ARG 245 N 0.62 1.15 0.18 1.51 2.43 -0.80 -0.46 114.38 119.02 2nqj h ARG 245 Ca 0.00 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2nqj h ARG 245 Cb 1.19 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2nqj h ARG 245 CO 0.13 0.82 -0.09 2.35 -1.51 0.00 0.00 179.97 181.67 2nqj h TRP 246 N 1.17 -0.23 -0.91 2.20 7.01 -0.59 -2.65 115.95 121.95 2nqj h TRP 246 Ca 0.30 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.34 2nqj h TRP 246 Cb -0.03 0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 27.05 2nqj h TRP 246 CO 0.01 -0.12 0.58 0.82 -2.79 0.00 0.00 178.44 176.94 2nqj h ILE 247 N -0.27 1.12 0.00 2.65 2.04 -0.76 -1.10 117.51 121.19 2nqj h ILE 247 Ca -0.03 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.43 2nqj h ILE 247 Cb 0.21 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2nqj h ILE 247 CO 0.04 0.20 -0.12 0.24 0.00 0.00 0.00 178.15 178.52 2nqj h MET 248 N 1.11 0.00 0.00 2.37 2.86 -0.93 -2.67 114.93 117.66 2nqj h MET 248 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 2nqj h MET 248 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 2nqj h MET 248 CO -0.14 0.12 -0.65 1.04 1.06 0.00 0.00 176.91 178.34 2nqj n GLN 249 N -3.91 0.03 -2.98 1.72 6.02 -0.47 -4.56 117.38 113.23 2nqj n GLN 249 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.56 2nqj n GLN 249 Cb 0.21 -1.51 -0.05 0.00 1.02 0.00 0.00 30.24 29.91 2nqj n GLN 249 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2nqj s ASP 250 N -3.09 6.90 0.00 1.08 2.15 -0.86 -4.94 116.67 117.91 2nqj s ASP 250 Ca 0.10 1.09 0.20 0.00 0.43 0.00 0.00 52.55 54.37 2nqj s ASP 250 Cb 0.17 -2.42 1.20 0.00 -0.30 0.00 0.00 42.92 41.57 2nqj s ASP 250 CO 0.75 -0.31 1.60 -0.90 -0.17 0.00 0.00 175.17 176.14 2nqj n ASP 251 N 4.89 0.00 -0.10 -0.34 5.68 -1.26 -2.99 116.55 122.42 2nqj n ASP 251 Ca 0.02 -0.73 0.14 0.00 -0.50 0.00 0.00 54.79 53.72 2nqj n ASP 251 Cb 0.50 0.00 0.60 0.00 -1.14 0.00 0.00 41.12 41.08 2nqj n ASP 251 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2nqj n ARG 252 N -0.96 0.61 -1.09 0.11 1.74 -1.26 -3.75 116.66 112.06 2nqj n ARG 252 Ca 0.15 -0.20 -0.13 0.00 -0.77 0.00 0.00 57.85 56.90 2nqj n ARG 252 Cb 0.07 -1.50 0.16 0.00 -1.02 0.00 0.00 32.46 30.17 2nqj n ARG 252 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2nqj n PHE 253 N -1.02 1.81 -2.79 -1.55 3.01 -1.16 -5.02 117.46 110.75 2nqj n PHE 253 Ca 0.14 -1.89 -0.22 0.00 1.01 0.00 0.00 57.45 56.49 2nqj n PHE 253 Cb 0.28 -0.65 0.02 0.00 -0.01 0.00 0.00 39.48 39.13 2nqj n PHE 253 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2nqj s ASP 254 N -2.44 5.54 -0.99 4.37 1.11 -1.25 -4.46 116.67 118.56 2nqj s ASP 254 Ca 0.49 0.17 0.00 0.00 0.18 0.00 0.00 52.55 53.39 2nqj s ASP 254 Cb 0.43 -1.22 0.00 0.00 1.07 0.00 0.00 42.92 43.20 2nqj s ASP 254 CO 0.01 -0.94 0.00 0.61 1.18 0.00 0.00 175.17 176.04 2nqj n GLY 255 N -2.24 0.94 3.12 0.21 0.00 0.11 -4.98 105.19 102.35 2nqj n GLY 255 Ca 0.05 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2nqj n GLY 255 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2nqj s ILE 256 N -1.91 0.67 -0.09 -0.61 -4.36 -1.26 -4.98 121.20 108.67 2nqj s ILE 256 Ca 0.00 -1.49 -0.29 0.00 -0.26 0.00 0.00 60.65 58.60 2nqj s ILE 256 Cb 0.00 -1.14 -0.05 0.00 1.25 0.00 0.00 42.46 42.52 2nqj s ILE 256 CO 0.00 -0.59 1.74 -2.84 0.24 0.00 0.00 174.94 173.49 2nqj s PRO 257 N -2.62 4.00 -0.45 0.37 0.02 -1.25 -3.78 135.00 131.29 2nqj s PRO 257 Ca 0.01 2.12 -0.13 0.00 0.02 0.00 0.00 61.00 63.02 2nqj s PRO 257 Cb -0.03 -4.06 0.08 0.00 0.02 0.00 0.00 34.50 30.51 2nqj s PRO 257 CO -0.02 -1.07 0.34 -0.51 -0.33 0.00 0.00 177.00 175.42 2nqj s LEU 258 N 4.72 5.45 -0.13 -5.54 1.43 -0.26 -0.64 118.68 123.72 2nqj s LEU 258 Ca 0.78 -1.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.42 2nqj s LEU 258 Cb -0.33 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 2nqj s LEU 258 CO 0.32 -0.61 -0.04 -0.63 0.23 0.00 0.00 176.35 175.62 2nqj s ILE 259 N 1.55 3.92 -0.01 -0.59 -1.09 0.15 -1.53 121.20 123.59 2nqj s ILE 259 Ca 0.04 -0.36 -0.24 0.00 -2.23 0.00 0.00 60.65 57.85 2nqj s ILE 259 Cb -0.24 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 2nqj s ILE 259 CO 0.04 0.53 0.75 -0.76 -1.23 0.00 0.00 174.94 174.27 2nqj s LEU 260 N -0.02 4.38 -0.10 2.97 1.43 0.66 0.45 118.68 128.44 2nqj s LEU 260 Ca 0.01 1.33 0.20 0.00 -1.03 0.00 0.00 54.13 54.64 2nqj s LEU 260 Cb -0.13 -3.18 0.43 0.00 0.03 0.00 0.00 46.19 43.34 2nqj s LEU 260 CO 0.03 -0.07 1.19 0.00 0.23 0.00 0.00 176.35 177.73 2nqj n GLN 261 N 3.35 0.75 -1.27 1.70 6.02 -1.24 -1.25 117.38 125.44 2nqj n GLN 261 Ca -0.01 -2.60 -0.33 0.00 -0.01 0.00 0.00 57.00 54.04 2nqj n GLN 261 Cb 0.51 -0.73 0.11 0.00 1.02 0.00 0.00 30.24 31.14 2nqj n GLN 261 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2nqj s THR 262 N -1.48 2.47 -0.82 5.09 -4.23 -1.26 -4.73 115.64 110.68 2nqj s THR 262 Ca 0.36 0.20 0.26 0.00 -1.18 0.00 0.00 61.69 61.33 2nqj s THR 262 Cb 0.38 -2.62 0.26 0.00 1.34 0.00 0.00 72.50 71.86 2nqj s THR 262 CO -0.12 -0.15 1.81 2.30 -0.54 0.00 0.00 174.62 177.92 2nqj n ILE 263 N -3.15 0.42 -3.81 2.99 -5.35 -1.26 -4.48 119.36 104.73 2nqj n ILE 263 Ca 0.12 -0.13 -0.34 0.00 -0.27 0.00 0.00 62.75 62.14 2nqj n ILE 263 Cb 0.51 -0.61 -0.11 0.00 -1.74 0.00 0.00 39.64 37.69 2nqj n ILE 263 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2nqj s ASN 264 N -3.91 4.93 0.50 7.28 2.47 -1.26 -4.94 114.94 120.01 2nqj s ASN 264 Ca 0.11 -3.05 0.24 0.00 0.42 0.00 0.00 52.86 50.58 2nqj s ASN 264 Cb 0.14 -1.77 1.31 0.00 -1.45 0.00 0.00 41.25 39.48 2nqj s ASN 264 CO 0.54 -0.29 1.93 -0.65 -3.72 0.00 0.00 177.10 174.91 2nqj h PRO 265 N 6.65 0.14 0.00 0.43 0.11 -2.01 -2.09 132.00 135.23 2nqj h PRO 265 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2nqj h PRO 265 Cb 0.91 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2nqj h PRO 265 CO 0.71 0.09 0.00 -0.25 -0.21 0.00 0.00 178.00 178.35 2nqj n ASP 266 N -4.38 0.00 0.00 -2.05 8.00 -1.26 -1.78 116.55 115.08 2nqj n ASP 266 Ca 0.15 0.43 0.00 0.00 0.71 0.00 0.00 54.79 56.07 2nqj n ASP 266 Cb 0.72 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.38 2nqj n ASP 266 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2nqj n ILE 267 N -1.44 0.85 -0.21 0.53 -5.35 -0.78 -4.76 119.36 108.20 2nqj n ILE 267 Ca 0.01 -0.88 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 2nqj n ILE 267 Cb 0.04 0.58 0.12 0.00 -1.74 0.00 0.00 39.64 38.63 2nqj n ILE 267 CO 0.00 0.00 0.00 -0.50 -1.76 0.00 0.00 176.55 174.29 2nqj h TRP 268 N 0.00 0.42 -0.46 4.28 6.55 -1.44 0.17 115.95 125.46 2nqj h TRP 268 Ca 0.00 0.03 0.09 0.00 0.95 0.00 0.00 58.89 59.96 2nqj h TRP 268 Cb 0.52 -0.09 -0.09 0.00 -0.86 0.00 0.00 29.16 28.64 2nqj h TRP 268 CO 0.00 0.11 -0.09 0.00 -1.05 0.00 0.00 178.44 177.40 2nqj h ALA 269 N 1.43 0.33 -0.33 1.49 0.00 -1.82 0.52 119.26 120.88 2nqj h ALA 269 Ca 0.32 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2nqj h ALA 269 Cb 0.40 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2nqj h ALA 269 CO -0.31 -0.44 0.11 0.93 0.00 0.00 0.00 179.25 179.54 2nqj h GLU 270 N 0.02 0.51 -0.96 0.00 3.07 -1.59 -0.77 114.58 114.86 2nqj h GLU 270 Ca 0.22 -0.11 0.04 0.00 -0.50 0.00 0.00 59.36 59.02 2nqj h GLU 270 Cb 0.34 -0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.12 2nqj h GLU 270 CO -0.46 0.54 0.62 0.93 -1.40 0.00 0.00 179.01 179.24 2nqj h GLU 271 N 0.39 1.17 -0.24 2.33 5.08 0.51 0.17 114.58 123.99 2nqj h GLU 271 Ca 0.11 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2nqj h GLU 271 Cb 0.23 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2nqj h GLU 271 CO -0.00 0.77 -0.04 0.82 -1.00 0.00 0.00 179.01 179.56 2nqj h ILE 272 N 1.21 1.28 -0.89 3.13 2.04 0.21 -1.81 117.51 122.68 2nqj h ILE 272 Ca 0.38 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2nqj h ILE 272 Cb 0.01 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 2nqj h ILE 272 CO -0.12 0.32 0.56 0.00 0.00 0.00 0.00 178.15 178.90 2nqj h ALA 273 N 0.77 1.13 -0.21 1.87 0.00 -0.63 -1.66 119.26 120.54 2nqj h ALA 273 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2nqj h ALA 273 Cb 0.49 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2nqj h ALA 273 CO 0.02 0.57 0.10 2.35 0.00 0.00 0.00 179.25 182.29 2nqj h TRP 274 N 1.22 0.30 -0.20 0.00 7.01 -0.55 -2.21 115.95 121.52 2nqj h TRP 274 Ca 0.32 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.34 2nqj h TRP 274 Cb -0.09 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 2nqj h TRP 274 CO -0.00 0.30 0.02 -0.07 -2.79 0.00 0.00 178.44 175.90 2nqj h LEU 275 N 0.20 -0.03 -0.93 0.65 3.38 -1.01 -1.95 115.31 115.62 2nqj h LEU 275 Ca 0.07 0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.17 2nqj h LEU 275 Cb 0.12 0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 2nqj h LEU 275 CO -0.01 0.01 0.57 0.11 0.09 0.00 0.00 178.44 179.22 2nqj h LYS 276 N 0.09 0.94 0.00 1.13 1.57 -1.18 -0.16 116.57 118.96 2nqj h LYS 276 Ca 0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2nqj h LYS 276 Cb 0.10 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2nqj h LYS 276 CO -0.14 0.62 0.00 0.00 -0.57 0.00 0.00 179.45 179.36 2nqj h ALA 277 N 1.48 1.00 0.00 3.86 0.00 -0.73 -2.52 119.26 122.35 2nqj h ALA 277 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2nqj h ALA 277 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2nqj h ALA 277 CO -0.23 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.06 2nqj n GLN 278 N -3.02 0.06 0.00 0.00 1.13 -0.07 -5.10 117.38 110.38 2nqj n GLN 278 Ca -0.00 0.05 0.09 0.00 -1.94 0.00 0.00 57.00 55.20 2nqj n GLN 278 Cb 0.24 -1.50 0.53 0.00 0.11 0.00 0.00 30.24 29.63 2nqj n GLN 278 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66