#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 1.49 -0.33 2.12 1.02 -1.26 -1.36 119.74 121.43 2nqj s LYS 2 Ca 0.00 -1.02 -0.07 0.00 0.02 0.00 0.00 55.97 54.90 2nqj s LYS 2 Cb 0.00 -1.65 0.03 0.00 -0.52 0.00 0.00 37.83 35.69 2nqj s LYS 2 CO 0.00 0.42 0.10 0.71 -0.92 0.00 0.00 175.35 175.66 2nqj s TYR 3 N -0.84 3.22 -0.17 3.18 2.02 -1.23 -4.96 117.35 118.58 2nqj s TYR 3 Ca 0.09 -1.28 -0.03 0.00 -0.37 0.00 0.00 57.07 55.48 2nqj s TYR 3 Cb -0.09 -2.27 -0.02 0.00 -0.40 0.00 0.00 41.96 39.18 2nqj s TYR 3 CO 0.02 -0.68 -0.07 0.42 -1.57 0.00 0.00 175.55 173.67 2nqj s ILE 4 N 1.43 3.50 0.00 2.71 1.09 -1.26 -0.63 121.20 128.04 2nqj s ILE 4 Ca -0.00 -0.49 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 2nqj s ILE 4 Cb -0.19 -2.53 0.00 0.00 -1.06 0.00 0.00 42.46 38.68 2nqj s ILE 4 CO 0.03 0.48 0.00 0.61 -0.10 0.00 0.00 174.94 175.96 2nqj n GLY 5 N 3.87 3.78 3.63 6.18 0.00 -0.51 -0.30 105.19 121.85 2nqj n GLY 5 Ca -0.18 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.20 -0.34 -0.94 4.61 0.00 -1.24 -1.46 121.76 121.19 2nqj s ALA 6 Ca 0.00 -0.83 -0.19 0.00 0.00 0.00 0.00 51.96 50.93 2nqj s ALA 6 Cb 0.00 1.02 0.12 0.00 0.00 0.00 0.00 23.12 24.26 2nqj s ALA 6 CO 0.00 -0.89 1.17 -1.58 0.00 0.00 0.00 175.76 174.47 2nqj s HIS 7 N -3.84 3.02 0.86 0.00 2.46 -0.79 -1.46 115.29 115.54 2nqj s HIS 7 Ca 0.21 -1.28 -0.12 0.00 0.47 0.00 0.00 55.06 54.34 2nqj s HIS 7 Cb -0.02 -4.35 0.11 0.00 -0.13 0.00 0.00 32.58 28.19 2nqj s HIS 7 CO 0.10 -1.56 1.15 0.14 -2.47 0.00 0.00 174.74 172.09 2nqj s VAL 8 N 3.08 2.13 0.26 0.89 -7.23 -0.93 -4.90 120.40 113.70 2nqj s VAL 8 Ca 0.35 0.04 -0.26 0.00 -1.81 0.00 0.00 61.98 60.30 2nqj s VAL 8 Cb -0.04 -2.90 -0.09 0.00 0.56 0.00 0.00 36.38 33.91 2nqj s VAL 8 CO -0.09 -0.05 0.88 -0.55 -0.31 0.00 0.00 175.10 174.97 2nqj s SER 9 N -4.25 7.39 -0.08 4.85 0.15 -1.26 -4.59 113.70 115.90 2nqj s SER 9 Ca 0.63 1.76 0.15 0.00 0.70 0.00 0.00 55.95 59.20 2nqj s SER 9 Cb -0.13 -2.55 0.53 0.00 -1.71 0.00 0.00 66.02 62.16 2nqj s SER 9 CO 0.52 0.06 1.44 0.00 1.20 0.00 0.00 173.24 176.46 2nqj n ALA 10 N 1.02 2.70 -1.71 5.45 0.00 -1.26 -3.24 120.51 123.46 2nqj n ALA 10 Ca -0.01 -1.59 -0.43 0.00 0.00 0.00 0.00 53.44 51.40 2nqj n ALA 10 Cb 0.49 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 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 0.55 2.06 -0.79 0.00 0.00 -1.26 -1.55 120.51 119.52 2nqj n ALA 11 Ca 0.20 0.39 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2nqj n ALA 11 Cb 0.71 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.76 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 2.40 1.17 0.00 0.00 0.00 -1.26 -4.83 105.19 102.67 2nqj n GLY 12 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 4.39 0.35 -0.02 0.00 -0.59 -4.86 105.19 102.45 2nqj n GLY 13 Ca 0.00 -1.29 0.05 0.00 0.00 0.00 0.00 46.02 44.78 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 0.67 -0.84 0.99 3.38 -1.90 -2.12 115.31 115.50 2nqj h LEU 14 Ca 0.00 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2nqj h LEU 14 Cb 0.00 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 2nqj h LEU 14 CO 0.00 0.45 0.50 0.00 0.09 0.00 0.00 178.44 179.48 2nqj h ALA 15 N 1.61 1.17 -0.94 1.53 0.00 -1.86 -1.54 119.26 119.24 2nqj h ALA 15 Ca 0.28 0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.40 2nqj h ALA 15 Cb 0.14 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 2nqj h ALA 15 CO -0.08 0.17 0.61 -0.91 0.00 0.00 0.00 179.25 179.04 2nqj h ASN 16 N 0.87 0.54 0.05 0.00 2.35 -1.70 -1.14 115.58 116.54 2nqj h ASN 16 Ca 0.39 0.06 0.01 0.00 -0.55 0.00 0.00 56.30 56.20 2nqj h ASN 16 Cb 0.28 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 2nqj h ASN 16 CO -0.21 0.21 -0.09 0.00 -1.65 0.00 0.00 177.43 175.69 2nqj h ALA 17 N 1.61 -0.14 -0.88 -0.83 0.00 -1.25 0.61 119.26 118.39 2nqj h ALA 17 Ca 0.50 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.43 2nqj h ALA 17 Cb 1.07 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2nqj h ALA 17 CO -0.24 -0.60 0.58 0.00 0.00 0.00 0.00 179.25 178.99 2nqj h ALA 18 N 0.75 1.43 -0.26 0.00 0.00 -1.28 0.23 119.26 120.13 2nqj h ALA 18 Ca 0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2nqj h ALA 18 Cb 0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2nqj h ALA 18 CO -0.06 0.49 0.03 0.82 0.00 0.00 0.00 179.25 180.53 2nqj h ILE 19 N 1.12 1.24 -0.36 0.00 2.04 -0.53 -0.80 117.51 120.22 2nqj h ILE 19 Ca 0.35 -0.83 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 2nqj h ILE 19 Cb -0.00 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 2nqj h ILE 19 CO -0.10 0.26 0.06 0.03 0.00 0.00 0.00 178.15 178.40 2nqj h ARG 20 N 0.25 0.54 -0.32 2.37 3.08 0.11 -0.57 114.38 119.84 2nqj h ARG 20 Ca 0.08 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 2nqj h ARG 20 Cb 0.36 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 2nqj h ARG 20 CO 0.01 0.53 -0.02 0.00 -1.07 0.00 0.00 179.97 179.41 2nqj h ALA 21 N 1.54 0.43 -0.63 0.04 0.00 -0.31 -3.03 119.26 117.29 2nqj h ALA 21 Ca 0.12 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2nqj h ALA 21 Cb 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2nqj h ALA 21 CO 0.00 0.21 0.24 0.00 0.00 0.00 0.00 179.25 179.70 2nqj h ALA 22 N 0.83 0.82 -0.35 0.00 0.00 -0.66 -1.85 119.26 118.05 2nqj h ALA 22 Ca 0.09 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.92 2nqj h ALA 22 Cb 0.48 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2nqj h ALA 22 CO 0.02 0.44 0.32 0.93 0.00 0.00 0.00 179.25 180.97 2nqj h GLU 23 N 0.88 0.00 -0.37 0.00 5.08 -1.00 -0.12 114.58 119.04 2nqj h GLU 23 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2nqj h GLU 23 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 2nqj h GLU 23 CO -0.02 0.00 0.00 0.44 -1.00 0.00 0.00 179.01 178.43 2nqj n ILE 24 N -3.99 1.94 -3.66 3.13 -5.35 -1.06 -4.98 119.36 105.39 2nqj n ILE 24 Ca 0.06 -1.51 -0.22 0.00 -0.27 0.00 0.00 62.75 60.81 2nqj n ILE 24 Cb 0.49 -0.01 0.05 0.00 -1.74 0.00 0.00 39.64 38.44 2nqj n ILE 24 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2nqj n ASP 25 N 0.12 -2.39 -4.87 7.28 9.92 -0.06 -4.62 116.55 121.92 2nqj n ASP 25 Ca 0.20 -0.74 -0.33 0.00 -0.53 0.00 0.00 54.79 53.39 2nqj n ASP 25 Cb 0.81 -4.38 -0.05 0.00 -0.64 0.00 0.00 41.12 36.85 2nqj n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2nqj s ALA 26 N -3.51 3.58 -0.85 2.24 0.00 -0.72 -4.95 121.76 117.55 2nqj s ALA 26 Ca 0.15 -0.25 0.13 0.00 0.00 0.00 0.00 51.96 52.00 2nqj s ALA 26 Cb -0.07 -2.44 0.39 0.00 0.00 0.00 0.00 23.12 20.99 2nqj s ALA 26 CO 0.79 0.50 1.32 0.25 0.00 0.00 0.00 175.76 178.62 2nqj n THR 27 N 0.15 1.29 -3.48 0.00 -2.24 0.59 -4.72 114.28 105.86 2nqj n THR 27 Ca -0.01 -1.18 -0.12 0.00 -2.27 0.00 0.00 64.05 60.47 2nqj n THR 27 Cb 0.52 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.39 -1.74 -0.01 6.98 0.00 -1.16 -4.35 121.76 120.10 2nqj s ALA 28 Ca 0.30 0.92 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 2nqj s ALA 28 Cb 0.18 0.41 0.08 0.00 0.00 0.00 0.00 23.12 23.79 2nqj s ALA 28 CO 0.16 -0.62 0.72 -0.59 0.00 0.00 0.00 175.76 175.42 2nqj s PHE 29 N -2.81 -0.57 0.30 0.00 -0.12 -0.93 -3.52 117.98 110.33 2nqj s PHE 29 Ca -0.00 0.81 0.11 0.00 -0.05 0.00 0.00 56.93 57.79 2nqj s PHE 29 Cb -0.01 0.46 -0.05 0.00 -0.63 0.00 0.00 43.02 42.79 2nqj s PHE 29 CO -0.06 -0.63 -0.12 0.00 -0.05 0.00 0.00 175.22 174.37 2nqj s ALA 30 N -1.92 2.93 0.18 1.99 0.00 -0.54 -1.55 121.76 122.85 2nqj s ALA 30 Ca -0.06 -1.92 -0.24 0.00 0.00 0.00 0.00 51.96 49.74 2nqj s ALA 30 Cb -0.00 -0.28 0.07 0.00 0.00 0.00 0.00 23.12 22.90 2nqj s ALA 30 CO 0.02 0.19 0.97 -0.48 0.00 0.00 0.00 175.76 176.47 2nqj s LEU 31 N -3.59 -0.11 -0.13 0.00 2.34 -1.23 -2.18 118.68 113.78 2nqj s LEU 31 Ca 0.32 -0.53 -0.03 0.00 0.06 0.00 0.00 54.13 53.95 2nqj s LEU 31 Cb -0.02 2.18 -0.03 0.00 -0.56 0.00 0.00 46.19 47.76 2nqj s LEU 31 CO 0.17 -0.98 -0.02 -0.36 -1.06 0.00 0.00 176.35 174.09 2nqj s PHE 32 N -2.91 3.07 -1.57 3.48 2.99 -1.26 -0.73 117.98 121.05 2nqj s PHE 32 Ca 0.15 -0.09 0.29 0.00 0.00 0.00 0.00 56.93 57.29 2nqj s PHE 32 Cb -0.02 -1.89 1.31 0.00 0.00 0.00 0.00 43.02 42.42 2nqj s PHE 32 CO 0.04 0.17 1.91 0.25 -0.00 0.00 0.00 175.22 177.59 2nqj n THR 33 N 2.97 0.00 -3.53 0.64 -2.24 -1.26 -4.83 114.28 106.04 2nqj n THR 33 Ca -0.18 -0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.49 2nqj n THR 33 Cb 0.53 -0.21 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.51 0.69 0.11 -0.78 -2.85 -1.26 -5.02 119.74 108.13 2nqj s LYS 34 Ca 0.29 -0.24 -0.35 0.00 -1.00 0.00 0.00 55.97 54.66 2nqj s LYS 34 Cb 0.20 0.32 -0.15 0.00 -2.06 0.00 0.00 37.83 36.14 2nqj s LYS 34 CO 0.47 -0.30 1.45 -1.71 0.10 0.00 0.00 175.35 175.37 2nqj n ASN 35 N -0.16 2.30 -0.23 0.03 2.85 -1.26 -4.85 115.26 113.94 2nqj n ASN 35 Ca -0.07 1.10 0.10 0.00 -0.11 0.00 0.00 54.58 55.61 2nqj n ASN 35 Cb 0.61 -1.30 0.51 0.00 1.24 0.00 0.00 39.78 40.84 2nqj n ASN 35 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2nqj n GLN 36 N 2.97 1.31 -0.09 1.20 0.00 -1.26 -3.70 117.38 117.80 2nqj n GLN 36 Ca 0.18 -0.46 0.04 0.00 0.00 0.00 0.00 57.00 56.76 2nqj n GLN 36 Cb 0.23 -1.35 0.09 0.00 0.00 0.00 0.00 30.24 29.21 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 -0.34 2.59 -4.23 2.61 1.74 -1.26 -1.00 116.66 116.77 2nqj n ARG 37 Ca 0.16 -1.98 -0.17 0.00 -0.77 0.00 0.00 57.85 55.09 2nqj n ARG 37 Cb 0.18 -1.25 -0.14 0.00 -1.02 0.00 0.00 32.46 30.24 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 -1.59 0.62 0.03 5.56 -0.21 -1.24 -5.00 119.66 117.83 2nqj s GLN 38 Ca 0.16 -0.46 -0.25 0.00 0.02 0.00 0.00 55.36 54.82 2nqj s GLN 38 Cb 0.12 -0.56 -0.17 0.00 1.00 0.00 0.00 33.01 33.39 2nqj s GLN 38 CO 0.05 0.14 1.42 -1.49 -2.12 0.00 0.00 175.29 173.28 2nqj h TRP 39 N 5.43 -0.18 -3.17 0.91 4.06 -1.94 -3.45 115.95 117.62 2nqj h TRP 39 Ca -0.32 -0.00 -0.66 0.00 2.06 0.00 0.00 58.89 59.97 2nqj h TRP 39 Cb 1.19 0.06 -0.11 0.00 -1.00 0.00 0.00 29.16 29.30 2nqj h TRP 39 CO 0.49 0.11 -0.59 0.50 -3.56 0.00 0.00 178.44 175.38 2nqj s ARG 40 N -5.06 2.99 0.03 0.49 3.52 -1.26 -5.02 118.95 114.65 2nqj s ARG 40 Ca -0.15 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 54.94 2nqj s ARG 40 Cb 0.03 -2.81 -0.02 0.00 -1.56 0.00 0.00 34.95 30.59 2nqj s ARG 40 CO 0.62 0.64 -0.05 0.00 -0.81 0.00 0.00 175.30 175.70 2nqj s ALA 41 N -1.18 0.37 0.36 6.12 0.00 -1.26 -5.00 121.76 121.16 2nqj s ALA 41 Ca 0.22 -0.72 -0.28 0.00 0.00 0.00 0.00 51.96 51.18 2nqj s ALA 41 Cb -0.12 0.11 -0.11 0.00 0.00 0.00 0.00 23.12 23.00 2nqj s ALA 41 CO 0.13 -0.11 1.43 0.00 0.00 0.00 0.00 175.76 177.22 2nqj s ALA 42 N -1.60 3.56 0.52 0.00 0.00 -1.26 -4.92 121.76 118.05 2nqj s ALA 42 Ca -0.11 1.47 -0.22 0.00 0.00 0.00 0.00 51.96 53.10 2nqj s ALA 42 Cb -0.09 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.40 2nqj s ALA 42 CO -0.01 -0.92 1.18 -2.30 0.00 0.00 0.00 175.76 173.71 2nqj n PRO 43 N 0.65 1.47 -1.78 0.00 -0.02 -1.26 -4.89 135.00 129.18 2nqj n PRO 43 Ca 0.01 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 2nqj n PRO 43 Cb 0.40 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 2nqj n PRO 43 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nqj s LEU 44 N -2.23 4.33 0.29 2.45 1.43 -1.26 -4.98 118.68 118.70 2nqj s LEU 44 Ca 0.69 3.02 -0.00 0.00 -1.03 0.00 0.00 54.13 56.81 2nqj s LEU 44 Cb -0.46 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.07 2nqj s LEU 44 CO 0.52 -0.91 0.49 0.42 0.23 0.00 0.00 176.35 177.10 2nqj s THR 45 N -0.57 5.13 0.51 5.49 -4.23 -1.26 -4.97 115.64 115.74 2nqj s THR 45 Ca 0.58 -0.39 0.19 0.00 -1.18 0.00 0.00 61.69 60.89 2nqj s THR 45 Cb -0.47 -3.81 0.26 0.00 1.34 0.00 0.00 72.50 69.82 2nqj s THR 45 CO 0.56 -0.40 2.12 0.71 -0.54 0.00 0.00 174.62 177.07 2nqj h THR 46 N 1.09 0.93 -0.28 3.99 1.35 -1.99 -1.42 112.91 116.58 2nqj h THR 46 Ca -0.49 -0.20 -0.02 0.00 -0.55 0.00 0.00 66.41 65.14 2nqj h THR 46 Cb 1.21 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 2nqj h THR 46 CO 0.64 0.06 0.09 0.06 -0.25 0.00 0.00 175.52 176.11 2nqj h GLN 47 N 0.00 0.43 -0.48 4.72 -0.00 -1.99 0.19 115.11 117.98 2nqj h GLN 47 Ca -0.00 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.65 58.51 2nqj h GLN 47 Cb 0.11 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 27.51 2nqj h GLN 47 CO 0.01 0.48 0.09 1.15 -0.00 0.00 0.00 178.83 180.56 2nqj h THR 48 N 0.29 1.24 -0.06 1.86 2.02 -1.79 -1.00 112.91 115.47 2nqj h THR 48 Ca 0.09 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.38 2nqj h THR 48 Cb 0.23 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 2nqj h THR 48 CO -0.00 0.32 0.04 0.40 0.37 0.00 0.00 175.52 176.64 2nqj h ILE 49 N 0.66 1.03 -0.10 3.11 2.04 -1.07 -1.59 117.51 121.58 2nqj h ILE 49 Ca 0.15 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2nqj h ILE 49 Cb 0.37 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2nqj h ILE 49 CO 0.01 0.02 0.03 0.44 0.00 0.00 0.00 178.15 178.65 2nqj h ASP 50 N 0.08 0.02 -0.95 1.72 3.45 -0.48 -1.72 116.42 118.54 2nqj h ASP 50 Ca 0.02 0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.51 2nqj h ASP 50 Cb 0.00 0.01 -0.05 0.00 -0.56 0.00 0.00 39.33 38.74 2nqj h ASP 50 CO -0.00 0.03 0.63 -0.33 -1.57 0.00 0.00 179.24 177.99 2nqj h GLU 51 N 0.07 1.22 -0.06 3.56 5.08 -1.10 0.83 114.58 124.19 2nqj h GLU 51 Ca 0.04 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2nqj h GLU 51 Cb 0.03 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 2nqj h GLU 51 CO -0.06 0.81 0.04 0.35 -1.00 0.00 0.00 179.01 179.15 2nqj h PHE 52 N 1.26 0.08 -0.80 4.33 3.57 -1.01 -0.16 116.94 124.21 2nqj h PHE 52 Ca 0.36 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 2nqj h PHE 52 Cb -0.11 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 2nqj h PHE 52 CO -0.01 0.08 0.37 0.87 -2.23 0.00 0.00 178.31 177.40 2nqj h LYS 53 N 0.05 1.16 -0.52 1.11 1.57 -0.81 -0.82 116.57 118.31 2nqj h LYS 53 Ca 0.02 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2nqj h LYS 53 Cb 0.03 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 2nqj h LYS 53 CO -0.00 0.91 0.32 0.00 -0.57 0.00 0.00 179.45 180.10 2nqj h ALA 54 N 1.20 0.66 0.15 3.86 0.00 -0.56 0.40 119.26 124.96 2nqj h ALA 54 Ca 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 2nqj h ALA 54 Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2nqj h ALA 54 CO -0.03 0.14 -0.10 0.00 0.00 0.00 0.00 179.25 179.25 2nqj h ALA 55 N 1.16 -0.24 -0.75 0.00 0.00 -0.52 0.19 119.26 119.09 2nqj h ALA 55 Ca 0.19 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2nqj h ALA 55 Cb -0.02 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2nqj h ALA 55 CO -0.04 -0.64 0.48 0.00 0.00 0.00 0.00 179.25 179.04 2nqj h GLU 57 N 0.93 0.97 -0.39 0.00 5.08 -0.63 0.50 114.58 121.04 2nqj h GLU 57 Ca 0.30 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.44 2nqj h GLU 57 Cb 0.01 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 2nqj h GLU 57 CO -0.11 0.94 0.09 -0.22 -1.00 0.00 0.00 179.01 178.71 2nqj h LYS 58 N 0.90 0.21 -0.01 2.33 3.64 -0.45 -2.73 116.57 120.47 2nqj h LYS 58 Ca 0.17 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2nqj h LYS 58 Cb 0.49 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 2nqj h LYS 58 CO 0.02 0.14 -0.28 0.66 -2.27 0.00 0.00 179.45 177.72 2nqj n TYR 59 N -5.08 0.00 -2.92 1.91 4.01 -1.06 -4.96 117.16 109.05 2nqj n TYR 59 Ca 0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.67 2nqj n TYR 59 Cb 0.17 -0.12 0.03 0.00 -0.31 0.00 0.00 39.34 39.12 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 -0.65 -1.12 -3.19 -0.72 8.25 -0.02 -5.00 115.22 112.76 2nqj n HIS 60 Ca 0.12 0.39 -0.42 0.00 -0.26 0.00 0.00 57.72 57.55 2nqj n HIS 60 Cb 0.35 -2.57 -0.07 0.00 1.12 0.00 0.00 29.99 28.82 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 -3.12 3.15 0.40 4.41 2.02 -0.11 -5.03 117.35 119.07 2nqj s TYR 61 Ca 0.23 0.12 0.01 0.00 -0.37 0.00 0.00 57.07 57.06 2nqj s TYR 61 Cb -0.10 -3.06 -0.01 0.00 -0.40 0.00 0.00 41.96 38.39 2nqj s TYR 61 CO 0.28 -0.64 0.60 0.95 -1.57 0.00 0.00 175.55 175.17 2nqj s THR 62 N 2.53 4.38 0.40 -0.71 -4.23 -1.26 -4.61 115.64 112.14 2nqj s THR 62 Ca 0.20 -0.57 0.19 0.00 -1.18 0.00 0.00 61.69 60.33 2nqj s THR 62 Cb -0.15 -3.60 0.39 0.00 1.34 0.00 0.00 72.50 70.49 2nqj s THR 62 CO 0.15 -0.38 1.78 -1.28 -0.54 0.00 0.00 174.62 174.34 2nqj h SER 63 N 0.59 0.43 0.37 3.99 0.87 -1.95 0.27 113.55 118.12 2nqj h SER 63 Ca -0.47 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 2nqj h SER 63 Cb 1.24 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2nqj h SER 63 CO 0.58 0.09 0.00 0.00 -0.53 0.00 0.00 176.83 176.97 2nqj n ALA 64 N -2.48 1.77 0.58 6.23 0.00 -1.26 -2.55 120.51 122.80 2nqj n ALA 64 Ca 0.25 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.69 2nqj n ALA 64 Cb 0.88 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 19.12 2nqj n ALA 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nqj n GLN 65 N -1.37 1.29 -4.37 0.00 6.02 0.93 -4.19 117.38 115.69 2nqj n GLN 65 Ca 0.06 -1.09 -0.34 0.00 -0.01 0.00 0.00 57.00 55.61 2nqj n GLN 65 Cb 0.14 -1.23 -0.11 0.00 1.02 0.00 0.00 30.24 30.06 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 -1.34 4.08 -0.56 5.09 1.01 -1.05 -2.19 121.20 126.24 2nqj s ILE 66 Ca 0.14 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.53 2nqj s ILE 66 Cb 0.11 -2.77 0.16 0.00 0.01 0.00 0.00 42.46 39.98 2nqj s ILE 66 CO 0.23 0.52 0.40 -0.22 0.00 0.00 0.00 174.94 175.88 2nqj s LEU 67 N -0.02 3.33 0.59 2.97 2.96 -0.59 -4.61 118.68 123.30 2nqj s LEU 67 Ca 0.02 -3.41 -0.18 0.00 -0.22 0.00 0.00 54.13 50.34 2nqj s LEU 67 Cb -0.13 -1.13 -0.04 0.00 0.50 0.00 0.00 46.19 45.39 2nqj s LEU 67 CO 0.02 -0.14 1.15 -2.16 -1.32 0.00 0.00 176.35 173.90 2nqj s PRO 68 N -0.67 3.08 0.06 0.98 0.04 -1.26 -3.53 135.00 133.70 2nqj s PRO 68 Ca 0.27 1.62 0.09 0.00 0.04 0.00 0.00 61.00 63.02 2nqj s PRO 68 Cb -0.04 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2nqj s PRO 68 CO -0.15 -1.07 -0.26 -1.58 0.04 0.00 0.00 177.00 173.97 2nqj s HIS 69 N -1.87 2.31 0.50 0.56 2.46 0.09 -0.03 115.29 119.32 2nqj s HIS 69 Ca 0.73 -0.41 -0.05 0.00 0.47 0.00 0.00 55.06 55.80 2nqj s HIS 69 Cb -0.25 -1.37 0.11 0.00 -0.13 0.00 0.00 32.58 30.94 2nqj s HIS 69 CO 0.32 0.15 0.68 -0.40 -2.47 0.00 0.00 174.74 173.03 2nqj n ASP 70 N 1.66 0.44 -4.76 9.88 5.75 -0.03 -4.41 116.55 125.09 2nqj n ASP 70 Ca -0.17 -1.48 -0.38 0.00 -0.01 0.00 0.00 54.79 52.75 2nqj n ASP 70 Cb 0.52 -0.49 0.02 0.00 -1.03 0.00 0.00 41.12 40.14 2nqj n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2nqj s SER 71 N -3.63 5.63 0.26 -1.12 0.15 -1.26 -4.90 113.70 108.83 2nqj s SER 71 Ca 0.42 2.61 0.05 0.00 0.70 0.00 0.00 55.95 59.73 2nqj s SER 71 Cb -0.02 -2.63 0.33 0.00 -1.71 0.00 0.00 66.02 62.00 2nqj s SER 71 CO 0.28 -1.31 1.62 1.88 1.20 0.00 0.00 173.24 176.91 2nqj h TYR 72 N 1.73 0.29 0.00 3.44 0.05 -1.44 -3.20 116.97 117.84 2nqj h TYR 72 Ca -0.50 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.17 2nqj h TYR 72 Cb 1.28 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 38.96 2nqj h TYR 72 CO 0.49 0.71 -0.04 -0.07 -1.05 0.00 0.00 178.16 178.20 2nqj h LEU 73 N 0.19 0.00 -9.47 3.88 3.38 -1.92 -3.44 115.31 107.92 2nqj h LEU 73 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.44 2nqj h LEU 73 Cb 0.99 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.75 2nqj h LEU 73 CO 0.08 0.04 0.73 -0.63 0.09 0.00 0.00 178.44 178.76 2nqj s ILE 74 N -4.47 3.58 -0.39 1.22 1.01 -1.21 -4.97 121.20 115.97 2nqj s ILE 74 Ca -0.04 1.09 0.02 0.00 0.00 0.00 0.00 60.65 61.72 2nqj s ILE 74 Cb 0.14 -3.70 0.12 0.00 0.01 0.00 0.00 42.46 39.03 2nqj s ILE 74 CO 0.56 0.05 0.16 0.21 0.00 0.00 0.00 174.94 175.92 2nqj s ASN 75 N 1.38 4.09 0.00 3.58 3.84 -1.26 -4.88 114.94 121.69 2nqj s ASN 75 Ca 0.63 -2.30 0.09 0.00 0.21 0.00 0.00 52.86 51.49 2nqj s ASN 75 Cb -0.34 -1.20 0.53 0.00 -0.55 0.00 0.00 41.25 39.69 2nqj s ASN 75 CO 0.29 -0.33 1.03 0.18 -2.79 0.00 0.00 177.10 175.47 2nqj n LEU 76 N 4.00 0.00 -0.45 3.21 4.77 -1.25 -2.45 117.00 124.83 2nqj n LEU 76 Ca 0.04 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.06 2nqj n LEU 76 Cb 0.38 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.53 2nqj n LEU 76 CO 0.22 0.00 0.34 0.61 -1.33 0.00 0.00 177.39 177.23 2nqj n GLY 77 N 0.13 2.19 3.65 -0.72 0.00 -1.26 -2.68 105.19 106.49 2nqj n GLY 77 Ca 0.07 -0.50 -0.47 0.00 0.00 0.00 0.00 46.02 45.11 2nqj n GLY 77 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2nqj n HIS 78 N -0.48 2.00 0.25 1.61 -0.00 -1.03 -4.57 115.22 113.00 2nqj n HIS 78 Ca 0.07 0.42 0.10 0.00 0.46 0.00 0.00 57.72 58.77 2nqj n HIS 78 Cb 0.72 -2.45 0.64 0.00 -0.12 0.00 0.00 29.99 28.77 2nqj n HIS 78 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2nqj h PRO 79 N 4.97 0.00 -5.30 1.57 0.13 -1.81 -3.42 132.00 128.14 2nqj h PRO 79 Ca -0.45 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.06 2nqj h PRO 79 Cb 1.28 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 2nqj h PRO 79 CO 0.81 0.16 -0.17 0.08 -0.23 0.00 0.00 178.00 178.65 2nqj s VAL 80 N -4.27 5.16 0.19 1.56 1.01 -1.26 -4.99 120.40 117.79 2nqj s VAL 80 Ca -0.03 0.69 -0.16 0.00 0.00 0.00 0.00 61.98 62.48 2nqj s VAL 80 Cb 0.14 -3.74 0.16 0.00 0.00 0.00 0.00 36.38 32.93 2nqj s VAL 80 CO 0.62 0.18 1.64 0.74 0.00 0.00 0.00 175.10 178.28 2nqj h THR 81 N 5.25 0.47 -0.03 3.92 2.02 -1.99 0.04 112.91 122.59 2nqj h THR 81 Ca -0.33 0.00 0.02 0.00 0.77 0.00 0.00 66.41 66.88 2nqj h THR 81 Cb 1.16 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 2nqj h THR 81 CO 0.69 0.00 -0.11 -0.08 0.37 0.00 0.00 175.52 176.39 2nqj h GLU 82 N -0.02 -0.17 -0.10 6.66 4.81 -1.96 0.16 114.58 123.97 2nqj h GLU 82 Ca 0.24 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 2nqj h GLU 82 Cb 0.39 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2nqj h GLU 82 CO -0.53 -0.11 -0.11 0.00 -0.73 0.00 0.00 179.01 177.53 2nqj h ALA 83 N 0.82 1.64 -0.32 2.92 0.00 -1.86 -1.03 119.26 121.43 2nqj h ALA 83 Ca 0.05 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 2nqj h ALA 83 Cb 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2nqj h ALA 83 CO -0.13 0.27 -0.40 1.25 0.00 0.00 0.00 179.25 180.23 2nqj h LEU 84 N 0.15 0.91 -0.43 0.00 5.85 -0.17 -0.37 115.31 121.25 2nqj h LEU 84 Ca 0.03 -0.49 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 2nqj h LEU 84 Cb 0.29 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2nqj h LEU 84 CO 0.02 1.22 0.24 -0.33 -0.34 0.00 0.00 178.44 179.25 2nqj h GLU 85 N 0.61 0.59 -0.19 1.25 4.39 -0.01 0.11 114.58 121.33 2nqj h GLU 85 Ca 0.04 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2nqj h GLU 85 Cb 1.00 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 2nqj h GLU 85 CO 0.10 0.45 0.12 -0.22 -1.16 0.00 0.00 179.01 178.30 2nqj h LYS 86 N 0.56 0.25 -0.95 2.33 3.64 -1.08 0.13 116.57 121.46 2nqj h LYS 86 Ca 0.15 -0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2nqj h LYS 86 Cb 0.03 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 2nqj h LYS 86 CO -0.03 0.19 0.62 0.77 -2.27 0.00 0.00 179.45 178.74 2nqj h SER 87 N 0.24 1.02 -0.24 4.20 0.02 -0.69 -1.46 113.55 116.64 2nqj h SER 87 Ca 0.07 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 2nqj h SER 87 Cb 0.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2nqj h SER 87 CO -0.01 0.69 0.09 0.03 -1.14 0.00 0.00 176.83 176.49 2nqj h ARG 88 N 1.18 0.37 -0.31 3.45 3.08 -0.19 -0.17 114.38 121.80 2nqj h ARG 88 Ca 0.38 -0.07 0.03 0.00 0.07 0.00 0.00 59.98 60.39 2nqj h ARG 88 Cb 0.03 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 2nqj h ARG 88 CO -0.13 0.42 0.13 -0.44 -1.07 0.00 0.00 179.97 178.88 2nqj h ASP 89 N 0.24 0.17 -0.11 7.04 3.45 -0.33 0.35 116.42 127.23 2nqj h ASP 89 Ca 0.08 0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.57 2nqj h ASP 89 Cb 0.20 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.95 2nqj h ASP 89 CO -0.01 0.14 0.06 0.00 -1.57 0.00 0.00 179.24 177.86 2nqj h ALA 90 N 1.18 0.14 -0.97 3.45 0.00 -1.12 -0.35 119.26 121.58 2nqj h ALA 90 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2nqj h ALA 90 Cb 0.07 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 2nqj h ALA 90 CO -0.11 -0.39 0.64 0.35 0.00 0.00 0.00 179.25 179.73 2nqj h PHE 91 N 0.13 1.19 -0.76 0.00 3.57 -0.66 0.38 116.94 120.78 2nqj h PHE 91 Ca 0.05 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2nqj h PHE 91 Cb 0.00 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.31 2nqj h PHE 91 CO -0.09 0.69 0.34 0.82 -2.23 0.00 0.00 178.31 177.84 2nqj h ILE 92 N 1.23 1.25 0.05 1.41 2.04 -0.40 -1.55 117.51 121.53 2nqj h ILE 92 Ca 0.38 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 2nqj h ILE 92 Cb 0.00 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2nqj h ILE 92 CO -0.12 0.31 -0.02 -0.78 0.00 0.00 0.00 178.15 177.53 2nqj h ASP 93 N 1.09 -0.06 -0.92 1.72 -0.00 0.73 0.01 116.42 118.99 2nqj h ASP 93 Ca 0.26 0.00 0.08 0.00 -0.00 0.00 0.00 57.03 57.37 2nqj h ASP 93 Cb 0.16 0.01 -0.06 0.00 -0.00 0.00 0.00 39.33 39.44 2nqj h ASP 93 CO -0.03 -0.04 0.60 -0.33 -0.00 0.00 0.00 179.24 179.44 2nqj h GLU 94 N -0.07 0.96 -0.03 0.28 4.39 -0.73 0.21 114.58 119.59 2nqj h GLU 94 Ca -0.01 -0.06 -0.18 0.00 0.34 0.00 0.00 59.36 59.45 2nqj h GLU 94 Cb 0.05 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 2nqj h GLU 94 CO 0.01 0.63 -0.78 1.98 -1.16 0.00 0.00 179.01 179.70 2nqj h MET 95 N 0.99 0.25 -0.14 2.33 4.05 -0.91 -2.13 114.93 119.37 2nqj h MET 95 Ca 0.42 -0.23 -0.16 0.00 -0.28 0.00 0.00 59.70 59.45 2nqj h MET 95 Cb 0.31 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 2nqj h MET 95 CO -0.17 0.91 -0.59 1.96 0.23 0.00 0.00 176.91 179.24 2nqj h GLN 96 N 0.16 0.45 -0.38 0.39 4.20 0.03 -2.18 115.11 117.78 2nqj h GLN 96 Ca -0.03 -0.30 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 2nqj h GLN 96 Cb 1.36 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.16 2nqj h GLN 96 CO 0.12 0.91 -0.02 0.00 -0.67 0.00 0.00 178.83 179.17 2nqj h ARG 97 N 0.34 0.61 -0.37 1.46 3.08 -0.47 -1.92 114.38 117.10 2nqj h ARG 97 Ca -0.00 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 59.76 2nqj h ARG 97 Cb 1.13 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 2nqj h ARG 97 CO 0.10 0.64 -0.34 0.00 -1.07 0.00 0.00 179.97 179.31 2nqj h GLU 99 N 0.70 1.21 -0.46 0.00 4.81 -0.86 0.93 114.58 120.91 2nqj h GLU 99 Ca 0.07 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.14 2nqj h GLU 99 Cb 0.90 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 2nqj h GLU 99 CO 0.08 0.81 -0.01 1.96 -0.73 0.00 0.00 179.01 181.12 2nqj h GLN 100 N 1.24 0.76 -0.01 1.92 4.20 -1.20 -2.54 115.11 119.48 2nqj h GLN 100 Ca 0.33 -0.21 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2nqj h GLN 100 Cb -0.12 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.57 2nqj h GLN 100 CO -0.07 0.78 -0.00 1.28 -0.67 0.00 0.00 178.83 180.15 2nqj n LEU 101 N -4.21 0.66 -1.17 1.46 4.77 -0.87 -4.91 117.00 112.73 2nqj n LEU 101 Ca 0.02 -0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 55.68 2nqj n LEU 101 Cb 0.30 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 2nqj n LEU 101 CO 0.41 0.11 -0.13 0.61 -1.33 0.00 0.00 177.39 177.06 2nqj n GLY 102 N 1.08 0.06 3.79 -0.72 0.00 -0.49 -4.92 105.19 103.99 2nqj n GLY 102 Ca 0.22 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.99 4.30 0.00 0.99 1.43 0.20 -4.69 118.68 117.93 2nqj s LEU 103 Ca 0.00 0.45 0.22 0.00 -1.03 0.00 0.00 54.13 53.77 2nqj s LEU 103 Cb 0.00 -2.21 0.26 0.00 0.03 0.00 0.00 46.19 44.27 2nqj s LEU 103 CO 0.00 0.24 1.25 -1.54 0.23 0.00 0.00 176.35 176.54 2nqj n SER 104 N 2.88 3.02 -4.19 2.29 3.41 -1.26 -4.20 113.62 115.57 2nqj n SER 104 Ca -0.16 -1.93 -0.18 0.00 -0.26 0.00 0.00 58.87 56.34 2nqj n SER 104 Cb 0.53 -0.09 -0.12 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.66 2.31 -0.22 1.04 1.43 -1.26 -0.31 118.68 120.01 2nqj s LEU 105 Ca 0.30 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 2nqj s LEU 105 Cb 0.19 -0.52 0.10 0.00 0.03 0.00 0.00 46.19 45.99 2nqj s LEU 105 CO 0.28 -0.10 0.23 -0.22 0.23 0.00 0.00 176.35 176.78 2nqj s LEU 106 N -1.94 -0.11 -0.09 1.79 2.96 -0.54 -4.27 118.68 116.48 2nqj s LEU 106 Ca 0.01 -0.36 -0.28 0.00 -0.22 0.00 0.00 54.13 53.28 2nqj s LEU 106 Cb -0.08 0.39 -0.02 0.00 0.50 0.00 0.00 46.19 46.97 2nqj s LEU 106 CO 0.02 -0.34 0.95 0.21 -1.32 0.00 0.00 176.35 175.87 2nqj s ASN 107 N 2.33 7.20 0.06 3.68 3.84 0.96 -0.53 114.94 132.47 2nqj s ASN 107 Ca 0.08 1.47 -0.07 0.00 0.21 0.00 0.00 52.86 54.54 2nqj s ASN 107 Cb -0.15 -2.53 -0.01 0.00 -0.55 0.00 0.00 41.25 38.01 2nqj s ASN 107 CO -0.17 -0.38 0.15 0.72 -2.79 0.00 0.00 177.10 174.63 2nqj s PHE 108 N 1.77 0.18 0.08 0.43 -0.12 -0.39 -0.85 117.98 119.08 2nqj s PHE 108 Ca 0.46 -0.56 -0.19 0.00 -0.05 0.00 0.00 56.93 56.59 2nqj s PHE 108 Cb -0.18 -0.11 -0.07 0.00 -0.63 0.00 0.00 43.02 42.03 2nqj s PHE 108 CO 0.19 -0.47 0.57 -1.01 -0.05 0.00 0.00 175.22 174.45 2nqj s HIS 109 N -3.39 3.79 0.06 3.49 3.76 -1.26 -1.73 115.29 120.01 2nqj s HIS 109 Ca 0.01 1.27 -0.19 0.00 -0.15 0.00 0.00 55.06 56.00 2nqj s HIS 109 Cb 0.03 -2.49 -0.08 0.00 1.11 0.00 0.00 32.58 31.15 2nqj s HIS 109 CO -0.08 0.57 1.30 -1.00 -0.85 0.00 0.00 174.74 174.68 2nqj h PRO 110 N 4.44 -0.37 0.00 8.40 0.13 -1.84 -3.44 132.00 139.33 2nqj h PRO 110 Ca -0.49 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2nqj h PRO 110 Cb 1.21 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2nqj h PRO 110 CO 0.64 -0.25 0.00 0.41 -0.23 0.00 0.00 178.00 178.57 2nqj n GLY 111 N -1.26 2.39 2.96 1.56 0.00 -1.26 -3.85 105.19 105.74 2nqj n GLY 111 Ca -0.04 -1.44 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 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 0.00 0.56 0.06 1.61 0.01 -1.26 -1.36 113.70 113.32 2nqj s SER 112 Ca 0.00 -0.15 0.27 0.00 1.31 0.00 0.00 55.95 57.39 2nqj s SER 112 Cb 0.00 -0.04 0.95 0.00 0.21 0.00 0.00 66.02 67.13 2nqj s SER 112 CO 0.00 0.02 1.76 0.00 0.41 0.00 0.00 173.24 175.43 2nqj n HIS 113 N 2.76 0.29 -2.72 2.43 1.44 -0.95 -4.21 115.22 114.25 2nqj n HIS 113 Ca -0.14 0.08 -0.14 0.00 -2.01 0.00 0.00 57.72 55.51 2nqj n HIS 113 Cb 0.58 -0.59 -0.00 0.00 0.12 0.00 0.00 29.99 30.09 2nqj n HIS 113 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2nqj n LEU 114 N -1.75 -1.11 -1.56 2.39 4.77 -1.26 -0.64 117.00 117.84 2nqj n LEU 114 Ca 0.06 0.06 -0.19 0.00 -0.03 0.00 0.00 56.01 55.91 2nqj n LEU 114 Cb 0.37 -1.98 -0.07 0.00 -2.33 0.00 0.00 43.42 39.41 2nqj n LEU 114 CO 0.30 -0.03 -0.19 0.23 -1.33 0.00 0.00 177.39 176.37 2nqj n MET 115 N -3.03 -1.35 0.00 3.23 2.81 -1.26 -4.85 117.12 112.67 2nqj n MET 115 Ca -0.09 1.14 0.00 0.00 -1.81 0.00 0.00 57.70 56.94 2nqj n MET 115 Cb 0.58 -5.48 -0.00 0.00 -0.71 0.00 0.00 33.22 27.61 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 -2.50 2.66 -4.06 0.03 6.02 0.19 -5.05 117.38 114.66 2nqj n GLN 116 Ca -0.20 -0.29 -0.10 0.00 -0.01 0.00 0.00 57.00 56.40 2nqj n GLN 116 Cb 0.63 -0.79 -0.07 0.00 1.02 0.00 0.00 30.24 31.03 2nqj n GLN 116 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2nqj s ILE 117 N -0.52 0.02 0.76 5.09 -4.36 -1.22 -4.97 121.20 115.99 2nqj s ILE 117 Ca 0.01 -1.61 -0.10 0.00 -0.26 0.00 0.00 60.65 58.68 2nqj s ILE 117 Cb 0.01 -2.23 0.07 0.00 1.25 0.00 0.00 42.46 41.56 2nqj s ILE 117 CO 0.02 -0.07 1.10 -0.94 0.24 0.00 0.00 174.94 175.29 2nqj s SER 118 N -3.06 4.67 0.08 4.36 1.04 -1.26 -4.88 113.70 114.66 2nqj s SER 118 Ca 0.27 0.65 -0.23 0.00 0.48 0.00 0.00 55.95 57.12 2nqj s SER 118 Cb 0.03 -1.22 -0.14 0.00 0.10 0.00 0.00 66.02 64.79 2nqj s SER 118 CO 0.08 -1.75 1.69 -0.08 0.98 0.00 0.00 173.24 174.16 2nqj h GLU 119 N -0.84 0.05 -0.04 4.02 4.81 -2.00 -0.99 114.58 119.59 2nqj h GLU 119 Ca -0.45 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.81 2nqj h GLU 119 Cb 1.32 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.64 2nqj h GLU 119 CO 0.63 0.09 -0.26 0.93 -0.73 0.00 0.00 179.01 179.68 2nqj h GLU 120 N -0.00 -0.36 -0.69 1.92 5.08 -1.99 0.10 114.58 118.64 2nqj h GLU 120 Ca 0.01 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.53 2nqj h GLU 120 Cb 0.06 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 2nqj h GLU 120 CO -0.00 -0.24 0.20 0.22 -1.00 0.00 0.00 179.01 178.19 2nqj h ASP 121 N -0.37 0.10 -0.47 1.42 1.82 -1.90 0.17 116.42 117.19 2nqj h ASP 121 Ca 0.07 0.12 -0.11 0.00 -0.39 0.00 0.00 57.03 56.72 2nqj h ASP 121 Cb 0.48 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.62 2nqj h ASP 121 CO -0.25 0.03 -0.14 0.00 -1.61 0.00 0.00 179.24 177.27 2nqj h LEU 123 N 0.76 0.55 -1.70 0.00 3.38 0.36 -2.54 115.31 116.12 2nqj h LEU 123 Ca 0.12 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2nqj h LEU 123 Cb 0.69 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2nqj h LEU 123 CO 0.05 0.69 -0.03 0.00 0.09 0.00 0.00 178.44 179.24 2nqj h ALA 124 N 0.87 1.76 -0.51 1.53 0.00 -0.69 -0.74 119.26 121.48 2nqj h ALA 124 Ca 0.10 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2nqj h ALA 124 Cb 0.39 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2nqj h ALA 124 CO 0.01 0.18 -0.17 0.00 0.00 0.00 0.00 179.25 179.27 2nqj h ARG 125 N 0.15 1.02 -0.22 0.00 3.08 -1.16 -0.90 114.38 116.35 2nqj h ARG 125 Ca 0.04 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 2nqj h ARG 125 Cb 0.15 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2nqj h ARG 125 CO 0.01 1.10 0.09 0.82 -1.07 0.00 0.00 179.97 180.91 2nqj h ILE 126 N 0.89 1.16 -0.15 2.04 2.04 -0.82 0.40 117.51 123.07 2nqj h ILE 126 Ca 0.12 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.54 2nqj h ILE 126 Cb 0.75 1.08 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 2nqj h ILE 126 CO 0.06 0.16 -0.17 0.00 0.00 0.00 0.00 178.15 178.20 2nqj h ALA 127 N 0.93 -0.07 -0.40 1.87 0.00 -1.03 -0.18 119.26 120.38 2nqj h ALA 127 Ca 0.07 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.09 2nqj h ALA 127 Cb 0.17 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 2nqj h ALA 127 CO -0.01 -0.61 0.12 0.93 0.00 0.00 0.00 179.25 179.68 2nqj h GLU 128 N -0.20 0.26 -0.75 0.00 4.39 -0.77 -0.68 114.58 116.82 2nqj h GLU 128 Ca 0.10 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.89 2nqj h GLU 128 Cb 0.35 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 28.87 2nqj h GLU 128 CO -0.27 0.17 0.39 0.77 -1.16 0.00 0.00 179.01 178.90 2nqj h SER 129 N 0.26 0.50 0.02 1.42 0.02 0.61 -0.32 113.55 116.07 2nqj h SER 129 Ca 0.19 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2nqj h SER 129 Cb 0.19 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.71 2nqj h SER 129 CO -0.21 0.28 -0.01 0.40 -1.14 0.00 0.00 176.83 176.15 2nqj h ILE 130 N 0.64 1.23 -0.66 3.27 2.04 -0.28 -2.21 117.51 121.53 2nqj h ILE 130 Ca 0.38 -0.77 0.10 0.00 1.00 0.00 0.00 64.86 65.57 2nqj h ILE 130 Cb 0.41 1.75 -0.08 0.00 -0.74 0.00 0.00 36.82 38.16 2nqj h ILE 130 CO -0.28 0.20 0.26 0.78 0.00 0.00 0.00 178.15 179.11 2nqj h ASN 131 N -0.36 0.27 -0.60 1.72 2.35 -0.76 0.11 115.58 118.31 2nqj h ASN 131 Ca -0.00 0.08 0.03 0.00 -0.55 0.00 0.00 56.30 55.86 2nqj h ASN 131 Cb 0.34 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 2nqj h ASN 131 CO 0.00 0.14 0.36 0.40 -1.65 0.00 0.00 177.43 176.69 2nqj h ILE 132 N 0.44 1.06 -0.23 2.81 2.04 -0.98 -1.14 117.51 121.51 2nqj h ILE 132 Ca 0.34 -0.24 -0.19 0.00 1.00 0.00 0.00 64.86 65.76 2nqj h ILE 132 Cb 0.43 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 2nqj h ILE 132 CO -0.33 0.13 -0.61 0.00 0.00 0.00 0.00 178.15 177.34 2nqj h ALA 133 N 1.27 0.48 0.00 1.87 0.00 -0.62 -2.31 119.26 119.94 2nqj h ALA 133 Ca 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2nqj h ALA 133 Cb 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2nqj h ALA 133 CO -0.11 0.69 0.00 -0.07 0.00 0.00 0.00 179.25 179.76 2nqj h LEU 134 N 0.58 0.00 0.00 0.00 3.38 -0.66 -1.69 115.31 116.92 2nqj h LEU 134 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 2nqj h LEU 134 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2nqj h LEU 134 CO 0.13 0.00 -1.01 -0.78 0.09 0.00 0.00 178.44 176.87 2nqj h ASP 135 N 0.00 0.00 -0.53 -0.43 3.58 -0.82 -3.32 116.42 114.89 2nqj h ASP 135 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2nqj h ASP 135 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2nqj h ASP 135 CO 0.00 0.44 0.00 0.29 -2.88 0.00 0.00 179.24 177.09 2nqj n LYS 136 N -2.97 2.93 -4.07 0.28 5.02 -0.69 -4.99 118.16 113.67 2nqj n LYS 136 Ca -0.04 -2.44 -0.11 0.00 -2.02 0.00 0.00 58.31 53.71 2nqj n LYS 136 Cb 0.75 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 34.20 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 -1.19 0.00 0.04 -0.18 -4.23 -0.88 -4.98 115.64 104.21 2nqj s THR 137 Ca 0.38 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 59.30 2nqj s THR 137 Cb 0.21 -2.36 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 2nqj s THR 137 CO 0.23 0.00 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.16 2nqj s GLN 138 N -3.87 0.49 0.00 3.99 -0.21 -1.26 -4.79 119.66 114.00 2nqj s GLN 138 Ca 0.28 -0.81 0.00 0.00 0.02 0.00 0.00 55.36 54.85 2nqj s GLN 138 Cb 0.01 -0.10 0.00 0.00 1.00 0.00 0.00 33.01 33.93 2nqj s GLN 138 CO 0.12 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.69 2nqj n GLY 139 N 1.22 1.58 3.71 3.09 0.00 -1.26 -4.83 105.19 108.71 2nqj n GLY 139 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.31 5.31 -0.14 1.61 1.01 -1.26 -4.56 120.40 121.06 2nqj s VAL 140 Ca 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 61.98 62.33 2nqj s VAL 140 Cb 0.00 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 2nqj s VAL 140 CO 0.00 0.37 0.31 -0.89 0.00 0.00 0.00 175.10 174.89 2nqj s THR 141 N 0.62 5.28 -0.42 3.92 2.01 0.58 -4.91 115.64 122.72 2nqj s THR 141 Ca 0.15 0.59 -0.28 0.00 0.31 0.00 0.00 61.69 62.45 2nqj s THR 141 Cb -0.13 -3.64 0.02 0.00 0.01 0.00 0.00 72.50 68.77 2nqj s THR 141 CO 0.04 0.42 1.07 0.00 -0.69 0.00 0.00 174.62 175.45 2nqj s ALA 142 N 0.22 3.29 -0.42 7.40 0.00 0.12 -1.47 121.76 130.90 2nqj s ALA 142 Ca 0.18 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 2nqj s ALA 142 Cb -0.13 -3.76 0.06 0.00 0.00 0.00 0.00 23.12 19.29 2nqj s ALA 142 CO 0.05 -1.93 0.28 0.08 0.00 0.00 0.00 175.76 174.24 2nqj s VAL 143 N 4.02 4.61 0.07 0.00 1.01 0.31 0.41 120.40 130.82 2nqj s VAL 143 Ca 0.45 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.97 2nqj s VAL 143 Cb -0.09 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.50 2nqj s VAL 143 CO 0.25 -0.45 1.01 -0.63 0.00 0.00 0.00 175.10 175.28 2nqj s ILE 144 N 1.52 4.52 -0.12 2.22 1.01 0.29 -1.26 121.20 129.39 2nqj s ILE 144 Ca 0.03 1.95 -0.06 0.00 0.00 0.00 0.00 60.65 62.57 2nqj s ILE 144 Cb -0.22 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 2nqj s ILE 144 CO 0.05 0.23 0.10 -0.70 0.00 0.00 0.00 174.94 174.62 2nqj s GLU 145 N 0.47 3.40 0.60 2.79 2.12 -0.71 -0.08 118.70 127.29 2nqj s GLU 145 Ca 0.50 -0.22 -0.16 0.00 0.36 0.00 0.00 54.97 55.46 2nqj s GLU 145 Cb -0.24 -3.10 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 2nqj s GLU 145 CO 0.30 0.70 1.06 0.54 -0.54 0.00 0.00 175.26 177.32 2nqj s ASN 146 N -0.82 5.74 0.42 -1.70 4.22 -1.02 -4.34 114.94 117.44 2nqj s ASN 146 Ca 0.13 1.83 0.05 0.00 -2.14 0.00 0.00 52.86 52.73 2nqj s ASN 146 Cb -0.12 -2.53 -0.06 0.00 1.28 0.00 0.00 41.25 39.82 2nqj s ASN 146 CO 0.03 -1.20 0.02 0.42 -2.04 0.00 0.00 177.10 174.34 2nqj s THR 147 N -2.45 1.55 -0.21 0.54 -4.23 0.64 -4.66 115.64 106.84 2nqj s THR 147 Ca 0.64 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.35 2nqj s THR 147 Cb -0.16 -2.71 0.21 0.00 1.34 0.00 0.00 72.50 71.18 2nqj s THR 147 CO 0.37 0.00 1.60 0.00 -0.54 0.00 0.00 174.62 176.05 2nqj h ALA 148 N 1.72 0.87 -0.51 3.99 0.00 -1.88 -3.35 119.26 120.10 2nqj h ALA 148 Ca -0.43 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2nqj h ALA 148 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2nqj h ALA 148 CO 0.76 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.72 2nqj n GLY 149 N 0.95 0.96 3.80 0.00 0.00 -1.26 -3.96 105.19 105.67 2nqj n GLY 149 Ca 0.02 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.26 4.24 4.33 1.61 -0.21 -1.25 -4.75 119.66 120.38 2nqj s GLN 150 Ca 0.00 1.32 0.00 0.00 0.02 0.00 0.00 55.36 56.70 2nqj s GLN 150 Cb 0.00 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.59 2nqj s GLN 150 CO 0.00 -0.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.54 2nqj n GLY 151 N -0.00 2.98 1.68 3.09 0.00 -1.26 -0.98 105.19 110.70 2nqj n GLY 151 Ca 0.05 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 46.03 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 2.58 5.02 -4.68 1.61 3.41 -1.26 -4.95 113.62 115.35 2nqj n SER 152 Ca 0.00 -2.79 -0.42 0.00 -0.26 0.00 0.00 58.87 55.40 2nqj n SER 152 Cb 0.00 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.27 2nqj n SER 152 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2nqj s ASN 153 N -0.66 7.10 0.61 4.04 2.47 -0.15 -2.24 114.94 126.11 2nqj s ASN 153 Ca 0.46 1.70 -0.00 0.00 0.42 0.00 0.00 52.86 55.44 2nqj s ASN 153 Cb 0.35 -2.56 0.06 0.00 -1.45 0.00 0.00 41.25 37.66 2nqj s ASN 153 CO 0.14 -0.56 0.86 -0.76 -3.72 0.00 0.00 177.10 173.05 2nqj s LEU 154 N 2.30 3.14 0.00 3.21 1.43 -0.46 -4.43 118.68 123.87 2nqj s LEU 154 Ca 0.53 -0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.60 2nqj s LEU 154 Cb -0.22 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.31 2nqj s LEU 154 CO 0.19 -1.37 0.00 0.61 0.23 0.00 0.00 176.35 176.01 2nqj n GLY 155 N -2.54 0.94 0.13 -3.19 0.00 -1.26 -4.47 105.19 94.81 2nqj n GLY 155 Ca 0.10 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.21 2nqj n GLY 155 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 2nqj h PHE 156 N 0.00 0.00 -3.29 1.61 -5.15 -1.83 0.18 116.94 108.47 2nqj h PHE 156 Ca 0.00 0.00 -0.67 0.00 -0.20 0.00 0.00 57.97 57.10 2nqj h PHE 156 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 35.95 36.02 2nqj h PHE 156 CO 0.00 0.00 -0.62 0.15 -2.00 0.00 0.00 178.31 175.84 2nqj s LYS 157 N -3.30 3.16 0.51 6.09 1.02 -1.26 -4.77 119.74 121.19 2nqj s LYS 157 Ca 0.02 -0.40 0.24 0.00 0.02 0.00 0.00 55.97 55.85 2nqj s LYS 157 Cb 0.09 -2.86 1.33 0.00 -0.52 0.00 0.00 37.83 35.87 2nqj s LYS 157 CO 0.75 0.62 1.97 0.74 -0.92 0.00 0.00 175.35 178.51 2nqj h PHE 158 N 5.45 0.11 0.00 3.18 0.05 -1.99 0.16 116.94 123.90 2nqj h PHE 158 Ca -0.48 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.31 2nqj h PHE 158 Cb 1.19 -0.03 -0.00 0.00 2.00 0.00 0.00 35.95 39.10 2nqj h PHE 158 CO 0.62 0.04 -0.05 0.93 -0.18 0.00 0.00 178.31 179.67 2nqj h GLU 159 N 0.09 0.00 -0.18 1.51 3.07 -1.93 -1.46 114.58 115.68 2nqj h GLU 159 Ca 0.30 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.95 2nqj h GLU 159 Cb 1.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 2nqj h GLU 159 CO -0.03 0.05 -0.69 0.45 -1.40 0.00 0.00 179.01 177.39 2nqj h HIS 160 N 0.00 0.97 -0.37 4.33 3.86 -1.05 -1.98 115.15 120.92 2nqj h HIS 160 Ca -0.00 -0.40 -0.12 0.00 -1.16 0.00 0.00 60.37 58.69 2nqj h HIS 160 Cb 0.14 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 2nqj h HIS 160 CO 0.00 1.21 -0.23 -0.07 0.86 0.00 0.00 177.93 179.71 2nqj h LEU 161 N 0.53 0.84 -0.99 2.43 3.38 -1.36 -1.17 115.31 118.97 2nqj h LEU 161 Ca -0.03 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 2nqj h LEU 161 Cb 1.30 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2nqj h LEU 161 CO 0.14 1.08 0.02 0.00 0.09 0.00 0.00 178.44 179.77 2nqj h ALA 162 N 0.79 1.16 -0.23 1.53 0.00 -1.29 -1.11 119.26 120.11 2nqj h ALA 162 Ca 0.08 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 2nqj h ALA 162 Cb 0.79 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2nqj h ALA 162 CO 0.06 0.55 -0.56 0.00 0.00 0.00 0.00 179.25 179.30 2nqj h ALA 163 N 1.31 0.58 -0.40 0.00 0.00 -1.23 -0.85 119.26 118.67 2nqj h ALA 163 Ca 0.14 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 2nqj h ALA 163 Cb 0.41 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2nqj h ALA 163 CO 0.02 0.69 -0.13 0.82 0.00 0.00 0.00 179.25 180.65 2nqj h ILE 164 N 0.54 1.25 -0.32 0.00 2.04 -0.94 -2.91 117.51 117.18 2nqj h ILE 164 Ca 0.01 -1.16 -0.17 0.00 1.00 0.00 0.00 64.86 64.54 2nqj h ILE 164 Cb 1.14 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2nqj h ILE 164 CO 0.11 0.39 -0.48 0.40 0.00 0.00 0.00 178.15 178.58 2nqj h ILE 165 N 0.64 1.27 -0.65 -0.67 2.04 -1.03 -2.93 117.51 116.19 2nqj h ILE 165 Ca 0.11 -1.66 0.15 0.00 1.00 0.00 0.00 64.86 64.46 2nqj h ILE 165 Cb 0.59 1.55 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 2nqj h ILE 165 CO 0.04 0.55 0.45 0.44 0.00 0.00 0.00 178.15 179.62 2nqj h ASP 166 N 0.68 0.20 0.10 1.72 3.32 -0.97 0.85 116.42 122.32 2nqj h ASP 166 Ca 0.03 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2nqj h ASP 166 Cb 1.08 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.60 2nqj h ASP 166 CO 0.11 0.10 -0.05 0.61 -1.72 0.00 0.00 179.24 178.30 2nqj n GLY 167 N -1.58 -0.54 3.78 2.75 0.00 -1.11 -4.83 105.19 103.65 2nqj n GLY 167 Ca 0.12 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.15 4.97 -0.04 1.61 1.01 0.29 -4.70 120.40 121.40 2nqj s VAL 168 Ca 0.37 1.07 -0.05 0.00 0.00 0.00 0.00 61.98 63.38 2nqj s VAL 168 Cb 0.21 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2nqj s VAL 168 CO 0.39 0.46 0.27 -0.33 0.00 0.00 0.00 175.10 175.90 2nqj h GLU 169 N 5.46 -0.16 -5.66 2.72 5.08 -1.88 -3.39 114.58 116.75 2nqj h GLU 169 Ca -0.47 0.01 -0.68 0.00 -1.00 0.00 0.00 59.36 57.22 2nqj h GLU 169 Cb 1.20 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.41 2nqj h GLU 169 CO 0.68 -0.11 2.26 -3.47 -1.00 0.00 0.00 179.01 177.38 2nqj n ASP 170 N -3.72 4.86 0.24 1.42 -0.08 -1.26 -4.79 116.55 113.22 2nqj n ASP 170 Ca -0.02 -2.92 0.12 0.00 -1.51 0.00 0.00 54.79 50.47 2nqj n ASP 170 Cb 0.06 -1.74 0.66 0.00 2.34 0.00 0.00 41.12 42.44 2nqj n ASP 170 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2nqj h LYS 171 N 7.42 0.00 0.00 -0.67 1.79 -1.94 -0.91 116.57 122.26 2nqj h LYS 171 Ca 0.46 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.90 2nqj h LYS 171 Cb 0.85 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.50 2nqj h LYS 171 CO 1.49 0.00 -0.14 0.66 -1.08 0.00 0.00 179.45 180.38 2nqj h SER 172 N 0.00 0.00 -0.33 0.86 4.64 -1.97 -3.19 113.55 113.56 2nqj h SER 172 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2nqj h SER 172 Cb 0.44 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.42 2nqj h SER 172 CO 0.00 0.14 -0.14 0.54 -0.87 0.00 0.00 176.83 176.50 2nqj n ARG 173 N -3.28 1.84 -4.68 4.77 1.74 -0.35 -4.97 116.66 111.75 2nqj n ARG 173 Ca 0.00 -3.24 -0.23 0.00 -0.77 0.00 0.00 57.85 53.62 2nqj n ARG 173 Cb 0.39 -1.81 -0.15 0.00 -1.02 0.00 0.00 32.46 29.87 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 -3.30 1.15 0.03 1.55 0.11 -1.21 0.11 120.40 118.84 2nqj s VAL 174 Ca 0.44 -0.62 -0.01 0.00 -2.93 0.00 0.00 61.98 58.87 2nqj s VAL 174 Cb 0.41 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 34.30 2nqj s VAL 174 CO -0.01 0.33 0.05 0.61 -3.33 0.00 0.00 175.10 172.75 2nqj n GLY 175 N 2.75 2.60 3.07 6.54 0.00 0.16 -4.89 105.19 115.42 2nqj n GLY 175 Ca -0.14 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.65 0.36 -0.09 1.61 -7.23 0.15 -0.55 120.40 112.00 2nqj s VAL 176 Ca 0.02 -1.46 -0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2nqj s VAL 176 Cb -0.00 -1.05 0.02 0.00 0.56 0.00 0.00 36.38 35.91 2nqj s VAL 176 CO 0.01 -0.72 -0.05 0.00 -0.31 0.00 0.00 175.10 174.03 2nqj s ILE 178 N 1.70 5.22 -0.31 0.00 -1.09 -0.98 -2.43 121.20 123.31 2nqj s ILE 178 Ca 0.03 0.62 -0.09 0.00 -2.23 0.00 0.00 60.65 58.98 2nqj s ILE 178 Cb -0.13 -3.69 -0.00 0.00 -1.58 0.00 0.00 42.46 37.06 2nqj s ILE 178 CO -0.06 0.26 0.13 -0.62 -1.23 0.00 0.00 174.94 173.42 2nqj s ASP 179 N 1.09 5.44 0.25 3.58 3.68 -1.26 -0.55 116.67 128.89 2nqj s ASP 179 Ca 0.17 -0.59 -0.04 0.00 2.13 0.00 0.00 52.55 54.22 2nqj s ASP 179 Cb -0.15 -1.97 0.40 0.00 -1.45 0.00 0.00 42.92 39.76 2nqj s ASP 179 CO 0.08 -0.20 1.81 0.71 0.13 0.00 0.00 175.17 177.69 2nqj h THR 180 N 5.72 0.90 -0.73 1.71 1.35 -1.52 -0.64 112.91 119.70 2nqj h THR 180 Ca -0.32 -0.27 -0.02 0.00 -0.55 0.00 0.00 66.41 65.25 2nqj h THR 180 Cb 1.14 0.05 -0.03 0.00 -1.73 0.00 0.00 68.15 67.57 2nqj h THR 180 CO 0.61 0.14 0.38 0.00 -0.25 0.00 0.00 175.52 176.40 2nqj h HIS 182 N 1.02 0.77 -0.47 0.00 3.86 -1.62 -0.71 115.15 118.00 2nqj h HIS 182 Ca 0.26 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 2nqj h HIS 182 Cb 0.08 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.33 2nqj h HIS 182 CO 0.00 0.81 0.16 0.00 0.86 0.00 0.00 177.93 179.77 2nqj h ALA 183 N 0.85 0.62 -0.11 2.45 0.00 -1.04 0.62 119.26 122.66 2nqj h ALA 183 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2nqj h ALA 183 Cb 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2nqj h ALA 183 CO 0.03 0.25 0.07 0.35 0.00 0.00 0.00 179.25 179.95 2nqj h PHE 184 N 0.62 0.15 -0.41 0.00 3.57 -1.27 0.25 116.94 119.85 2nqj h PHE 184 Ca 0.15 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2nqj h PHE 184 Cb 0.24 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 2nqj h PHE 184 CO 0.01 0.14 0.14 0.00 -2.23 0.00 0.00 178.31 176.37 2nqj h ALA 185 N 0.99 1.49 0.00 2.41 0.00 -0.93 -1.96 119.26 121.26 2nqj h ALA 185 Ca 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2nqj h ALA 185 Cb 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2nqj h ALA 185 CO -0.01 0.39 -0.28 0.00 0.00 0.00 0.00 179.25 179.35 2nqj h ALA 186 N 1.58 1.06 0.00 0.00 0.00 -0.28 0.17 119.26 121.78 2nqj h ALA 186 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2nqj h ALA 186 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2nqj h ALA 186 CO -0.01 0.35 0.00 0.41 0.00 0.00 0.00 179.25 180.00 2nqj n GLY 187 N 0.06 0.38 3.54 0.00 0.00 -0.47 -4.72 105.19 103.97 2nqj n GLY 187 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.26 3.13 0.42 1.61 1.51 0.75 -4.87 117.35 118.64 2nqj s TYR 188 Ca 0.00 0.07 -0.23 0.00 -1.01 0.00 0.00 57.07 55.89 2nqj s TYR 188 Cb 0.00 -3.11 -0.08 0.00 -0.11 0.00 0.00 41.96 38.65 2nqj s TYR 188 CO 0.00 -0.69 1.09 0.34 -1.11 0.00 0.00 175.55 175.17 2nqj s ASP 189 N 1.86 6.54 0.00 2.29 2.15 -1.26 -3.30 116.67 124.95 2nqj s ASP 189 Ca 0.20 2.12 0.00 0.00 0.43 0.00 0.00 52.55 55.30 2nqj s ASP 189 Cb -0.15 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.88 2nqj s ASP 189 CO 0.16 -0.65 0.02 0.18 -0.17 0.00 0.00 175.17 174.71 2nqj n LEU 190 N -0.26 0.00 0.00 -1.34 4.77 -1.26 -4.06 117.00 114.84 2nqj n LEU 190 Ca 0.06 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 2nqj n LEU 190 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2nqj n LEU 190 CO 0.45 0.05 0.24 0.54 -1.33 0.00 0.00 177.39 177.34 2nqj n ARG 191 N 0.00 0.00 -3.52 3.23 1.74 -1.26 -4.20 116.66 112.65 2nqj n ARG 191 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 2nqj n ARG 191 Cb 0.26 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.17 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 -1.95 0.02 0.29 0.55 -4.23 -1.26 -4.88 115.64 104.17 2nqj s THR 192 Ca 0.00 -0.15 0.02 0.00 -1.18 0.00 0.00 61.69 60.39 2nqj s THR 192 Cb 0.00 -1.00 0.29 0.00 1.34 0.00 0.00 72.50 73.12 2nqj s THR 192 CO 0.00 -0.08 1.82 -0.65 -0.54 0.00 0.00 174.62 175.17 2nqj h PRO 193 N 2.52 0.92 -0.27 3.99 0.11 -1.90 -1.48 132.00 135.89 2nqj h PRO 193 Ca -0.31 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.77 2nqj h PRO 193 Cb 1.24 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 2nqj h PRO 193 CO 0.40 0.61 0.08 0.00 -0.21 0.00 0.00 178.00 178.88 2nqj h ALA 194 N 1.56 0.30 -0.41 -0.75 0.00 -1.96 -0.79 119.26 117.22 2nqj h ALA 194 Ca 0.52 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.37 2nqj h ALA 194 Cb 0.58 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2nqj h ALA 194 CO -0.29 -0.33 -0.15 0.93 0.00 0.00 0.00 179.25 179.40 2nqj h GLU 195 N 0.19 0.76 0.13 0.00 3.07 -1.66 -2.26 114.58 114.80 2nqj h GLU 195 Ca 0.12 -0.27 -0.00 0.00 -0.50 0.00 0.00 59.36 58.71 2nqj h GLU 195 Cb 0.11 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 2nqj h GLU 195 CO -0.14 0.87 -0.08 0.00 -1.40 0.00 0.00 179.01 178.25 2nqj h GLU 197 N -0.20 0.67 -0.04 0.00 4.39 -1.04 0.40 114.58 118.76 2nqj h GLU 197 Ca -0.01 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.53 2nqj h GLU 197 Cb 0.17 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2nqj h GLU 197 CO 0.01 0.44 -0.43 -0.22 -1.16 0.00 0.00 179.01 177.65 2nqj h LYS 198 N 0.69 0.36 -0.37 2.33 3.64 -0.75 -1.56 116.57 120.91 2nqj h LYS 198 Ca 0.39 -0.33 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2nqj h LYS 198 Cb 0.58 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 2nqj h LYS 198 CO -0.16 1.00 -0.01 1.15 -2.27 0.00 0.00 179.45 179.15 2nqj h THR 199 N -0.15 1.21 0.00 1.00 2.02 0.66 -2.21 112.91 115.44 2nqj h THR 199 Ca -0.04 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.27 2nqj h THR 199 Cb 1.11 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2nqj h THR 199 CO 0.09 0.30 -0.64 -0.26 0.37 0.00 0.00 175.52 175.37 2nqj h PHE 200 N 0.56 0.00 -0.09 3.16 0.04 -0.98 -2.37 116.94 117.25 2nqj h PHE 200 Ca 0.12 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.67 2nqj h PHE 200 Cb 0.38 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.53 2nqj h PHE 200 CO 0.01 0.00 -0.81 0.00 -0.60 0.00 0.00 178.31 176.91 2nqj h ALA 201 N 2.15 0.40 -0.18 2.45 0.00 -1.09 0.26 119.26 123.24 2nqj h ALA 201 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.28 2nqj h ALA 201 Cb 0.93 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2nqj h ALA 201 CO 0.00 0.73 0.11 0.22 0.00 0.00 0.00 179.25 180.31 2nqj h ASP 202 N 0.39 0.22 -0.97 0.00 -0.00 -1.39 -0.10 116.42 114.58 2nqj h ASP 202 Ca -0.06 -0.06 0.03 0.00 -0.00 0.00 0.00 57.03 56.94 2nqj h ASP 202 Cb 1.43 -0.06 -0.06 0.00 -0.00 0.00 0.00 39.33 40.65 2nqj h ASP 202 CO 0.15 0.22 0.63 0.15 -0.00 0.00 0.00 179.24 180.39 2nqj h PHE 203 N 0.21 1.19 -0.71 0.28 3.57 -1.26 -0.90 116.94 119.32 2nqj h PHE 203 Ca 0.06 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2nqj h PHE 203 Cb 0.04 -0.40 -0.03 0.00 2.79 0.00 0.00 35.95 38.35 2nqj h PHE 203 CO -0.05 0.69 0.31 0.00 -2.23 0.00 0.00 178.31 177.04 2nqj h ALA 204 N 1.39 1.22 -0.06 2.41 0.00 -0.20 0.49 119.26 124.51 2nqj h ALA 204 Ca 0.38 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 2nqj h ALA 204 Cb -0.02 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.50 2nqj h ALA 204 CO -0.12 0.58 -0.64 0.00 0.00 0.00 0.00 179.25 179.07 2nqj h ARG 205 N 1.01 0.55 0.00 0.00 3.08 -0.16 -2.96 114.38 115.90 2nqj h ARG 205 Ca 0.24 -0.50 -0.06 0.00 0.07 0.00 0.00 59.98 59.73 2nqj h ARG 205 Cb 0.15 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2nqj h ARG 205 CO -0.03 1.13 -1.28 0.25 -1.07 0.00 0.00 179.97 178.97 2nqj n THR 206 N -4.14 0.74 0.00 2.04 -2.24 -0.43 -4.73 114.28 105.53 2nqj n THR 206 Ca -0.09 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.09 2nqj n THR 206 Cb 0.68 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 -2.70 0.00 0.00 2.28 0.31 -0.02 -4.57 118.33 113.63 2nqj n VAL 207 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2nqj n VAL 207 Cb 0.66 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.49 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 2.64 0.30 0.07 2.92 0.00 -0.15 -4.74 105.19 106.24 2nqj n GLY 208 Ca 0.00 -1.37 0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 1.30 0.41 0.97 1.61 3.01 -1.26 -2.25 117.46 121.25 2nqj n PHE 209 Ca 0.00 0.18 0.09 0.00 1.01 0.00 0.00 57.45 58.73 2nqj n PHE 209 Cb 0.00 -0.79 0.49 0.00 -0.01 0.00 0.00 39.48 39.17 2nqj n PHE 209 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2nqj n LYS 210 N -1.89 0.39 -0.00 -1.08 2.85 -1.26 -2.04 118.16 115.13 2nqj n LYS 210 Ca 0.01 0.07 0.05 0.00 -1.05 0.00 0.00 58.31 57.39 2nqj n LYS 210 Cb 0.13 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.95 2nqj n LYS 210 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2nqj n TYR 211 N -1.16 0.00 -2.07 5.58 4.02 -0.96 -4.95 117.16 117.62 2nqj n TYR 211 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.57 2nqj n TYR 211 Cb 0.11 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 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 -2.59 4.31 0.00 7.72 2.96 -0.87 0.32 118.68 130.53 2nqj s LEU 212 Ca 0.03 2.18 0.00 0.00 -0.22 0.00 0.00 54.13 56.12 2nqj s LEU 212 Cb 0.08 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.23 2nqj s LEU 212 CO 0.44 -0.88 0.74 0.54 -1.32 0.00 0.00 176.35 175.87 2nqj n ARG 213 N 6.78 1.40 0.00 1.98 5.12 0.69 -4.86 116.66 127.77 2nqj n ARG 213 Ca 0.16 -1.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.07 2nqj n ARG 213 Cb 0.43 -0.90 0.00 0.00 -1.16 0.00 0.00 32.46 30.83 2nqj n ARG 213 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2nqj n GLY 214 N -0.27 1.02 3.03 -0.13 0.00 -1.19 -4.26 105.19 103.39 2nqj n GLY 214 Ca 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 2nqj n GLY 214 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nqj s MET 215 N -2.00 0.46 -0.28 1.61 -1.94 -0.35 -2.32 119.30 114.47 2nqj s MET 215 Ca 0.00 -0.90 0.01 0.00 -1.71 0.00 0.00 55.69 53.09 2nqj s MET 215 Cb 0.00 0.16 0.08 0.00 2.01 0.00 0.00 34.83 37.08 2nqj s MET 215 CO 0.00 -0.08 0.01 -1.01 -0.01 0.00 0.00 175.02 173.93 2nqj s HIS 216 N -2.65 2.67 -0.76 -0.03 3.76 0.29 -0.66 115.29 117.91 2nqj s HIS 216 Ca -0.05 -2.14 -0.22 0.00 -0.15 0.00 0.00 55.06 52.50 2nqj s HIS 216 Cb -0.01 -2.03 0.08 0.00 1.11 0.00 0.00 32.58 31.73 2nqj s HIS 216 CO -0.05 -0.86 1.07 -0.51 -0.85 0.00 0.00 174.74 173.54 2nqj s LEU 217 N 1.29 4.36 0.01 0.89 1.43 0.27 -1.51 118.68 125.43 2nqj s LEU 217 Ca 0.03 -1.22 0.05 0.00 -1.03 0.00 0.00 54.13 51.95 2nqj s LEU 217 Cb -0.19 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2nqj s LEU 217 CO -0.11 -1.40 -0.15 0.20 0.23 0.00 0.00 176.35 175.12 2nqj s ASN 218 N 3.78 1.76 0.51 2.29 0.01 -1.26 -3.92 114.94 118.11 2nqj s ASN 218 Ca 0.28 -0.36 0.01 0.00 -0.71 0.00 0.00 52.86 52.08 2nqj s ASN 218 Cb -0.12 -0.16 0.02 0.00 0.41 0.00 0.00 41.25 41.40 2nqj s ASN 218 CO 0.04 0.12 0.73 -0.62 -1.51 0.00 0.00 177.10 175.87 2nqj s ASP 219 N -0.71 5.50 -0.09 -1.22 -1.08 -0.58 -3.08 116.67 115.41 2nqj s ASP 219 Ca 0.04 0.10 0.01 0.00 -0.52 0.00 0.00 52.55 52.18 2nqj s ASP 219 Cb -0.07 -1.13 -0.03 0.00 -1.46 0.00 0.00 42.92 40.24 2nqj s ASP 219 CO 0.00 -0.97 -0.09 0.00 0.52 0.00 0.00 175.17 174.64 2nqj s ALA 220 N -2.68 2.84 -0.11 3.66 0.00 -1.26 -0.42 121.76 123.79 2nqj s ALA 220 Ca 0.54 -0.90 0.15 0.00 0.00 0.00 0.00 51.96 51.75 2nqj s ALA 220 Cb -0.10 -1.22 -0.24 0.00 0.00 0.00 0.00 23.12 21.57 2nqj s ALA 220 CO 0.38 0.45 0.43 1.17 0.00 0.00 0.00 175.76 178.19 2nqj n LYS 221 N 2.69 0.65 -1.74 0.00 4.81 -0.27 0.26 118.16 124.57 2nqj n LYS 221 Ca -0.18 0.16 -0.29 0.00 -0.87 0.00 0.00 58.31 57.14 2nqj n LYS 221 Cb 0.53 -1.68 0.10 0.00 0.02 0.00 0.00 35.03 34.00 2nqj n LYS 221 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2nqj s SER 222 N -5.81 4.22 0.27 3.14 1.04 -1.15 -4.82 113.70 110.60 2nqj s SER 222 Ca -0.07 0.92 0.07 0.00 0.48 0.00 0.00 55.95 57.35 2nqj s SER 222 Cb 0.07 -1.49 -0.03 0.00 0.10 0.00 0.00 66.02 64.67 2nqj s SER 222 CO 0.83 -2.10 0.26 0.42 0.98 0.00 0.00 173.24 173.62 2nqj s THR 223 N -3.42 4.35 -0.29 2.02 -4.23 -1.26 -4.63 115.64 108.18 2nqj s THR 223 Ca 0.62 -1.31 -0.40 0.00 -1.18 0.00 0.00 61.69 59.42 2nqj s THR 223 Cb -0.13 -3.42 -0.15 0.00 1.34 0.00 0.00 72.50 70.14 2nqj s THR 223 CO 0.51 -0.30 1.78 0.33 -0.54 0.00 0.00 174.62 176.41 2nqj n PHE 224 N -1.28 2.02 -0.94 3.99 -0.00 -1.26 -0.15 117.46 119.84 2nqj n PHE 224 Ca -0.06 0.52 0.00 0.00 -0.00 0.00 0.00 57.45 57.91 2nqj n PHE 224 Cb 0.58 -2.46 0.00 0.00 -0.00 0.00 0.00 39.48 37.60 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 4.42 0.54 0.25 7.13 0.00 -0.87 -4.88 105.19 111.78 2nqj n GLY 225 Ca 0.28 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.40 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 -5.96 1.61 4.64 -0.15 -3.46 113.55 110.23 2nqj h SER 226 Ca 0.00 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.90 2nqj h SER 226 Cb 0.14 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.33 2nqj h SER 226 CO 0.00 0.17 -0.71 0.54 -0.87 0.00 0.00 176.83 175.96 2nqj n ARG 227 N -3.74 -7.27 -4.87 4.77 1.74 0.55 -4.98 116.66 102.87 2nqj n ARG 227 Ca -0.02 0.77 -0.29 0.00 -0.77 0.00 0.00 57.85 57.54 2nqj n ARG 227 Cb 0.28 -5.78 -0.17 0.00 -1.02 0.00 0.00 32.46 25.77 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 -3.32 1.64 -0.79 1.55 1.01 -1.26 -3.76 120.40 115.47 2nqj s VAL 228 Ca 0.58 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.60 2nqj s VAL 228 Cb -0.27 -1.45 0.13 0.00 0.00 0.00 0.00 36.38 34.79 2nqj s VAL 228 CO 0.76 0.47 0.95 -0.62 0.00 0.00 0.00 175.10 176.66 2nqj s ASP 229 N 0.56 6.47 -0.21 3.32 3.68 -1.26 -4.75 116.67 124.49 2nqj s ASP 229 Ca -0.15 -1.83 -0.04 0.00 2.13 0.00 0.00 52.55 52.66 2nqj s ASP 229 Cb -0.17 -2.35 0.09 0.00 -1.45 0.00 0.00 42.92 39.04 2nqj s ASP 229 CO 0.05 -1.07 0.19 -0.13 0.13 0.00 0.00 175.17 174.35 2nqj s ARG 230 N 2.54 0.17 0.94 4.34 1.81 -1.26 -5.04 118.95 122.44 2nqj s ARG 230 Ca 0.24 0.07 -0.15 0.00 -1.72 0.00 0.00 55.73 54.16 2nqj s ARG 230 Cb -0.12 -1.32 0.18 0.00 -0.45 0.00 0.00 34.95 33.24 2nqj s ARG 230 CO -0.03 -0.71 1.27 -1.01 -0.68 0.00 0.00 175.30 174.15 2nqj s HIS 231 N 2.27 1.88 0.05 -0.53 3.76 -1.26 -1.11 115.29 120.34 2nqj s HIS 231 Ca 0.06 0.44 -0.27 0.00 -0.15 0.00 0.00 55.06 55.15 2nqj s HIS 231 Cb -0.16 -3.92 0.09 0.00 1.11 0.00 0.00 32.58 29.70 2nqj s HIS 231 CO -0.14 -2.51 0.74 -1.58 -0.85 0.00 0.00 174.74 170.40 2nqj s HIS 232 N -3.75 -0.48 0.65 1.40 2.46 0.44 -3.84 115.29 112.17 2nqj s HIS 232 Ca 0.71 0.43 -0.18 0.00 0.47 0.00 0.00 55.06 56.49 2nqj s HIS 232 Cb -0.06 0.52 -0.01 0.00 -0.13 0.00 0.00 32.58 32.90 2nqj s HIS 232 CO 0.52 -0.67 1.26 -1.12 -2.47 0.00 0.00 174.74 172.26 2nqj s SER 233 N -2.30 4.63 -0.11 9.88 0.01 -1.26 -1.53 113.70 123.02 2nqj s SER 233 Ca 0.00 2.52 -0.34 0.00 1.31 0.00 0.00 55.95 59.45 2nqj s SER 233 Cb -0.01 -2.61 -0.11 0.00 0.21 0.00 0.00 66.02 63.50 2nqj s SER 233 CO -0.07 -1.98 1.94 0.18 0.41 0.00 0.00 173.24 173.72 2nqj n LEU 234 N -2.01 3.41 0.00 2.44 4.77 -1.26 -1.76 117.00 122.59 2nqj n LEU 234 Ca 0.15 0.88 0.00 0.00 -0.03 0.00 0.00 56.01 57.00 2nqj n LEU 234 Cb 0.49 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 2nqj n LEU 234 CO 0.46 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2nqj n GLY 235 N 4.67 1.26 0.45 -0.72 0.00 -1.26 -4.86 105.19 104.73 2nqj n GLY 235 Ca 0.24 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.37 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 1.27 -3.27 1.61 -0.58 -0.72 -4.75 120.64 112.20 2nqj n GLU 236 Ca 0.00 -0.92 -0.19 0.00 -0.42 0.00 0.00 57.16 55.62 2nqj n GLU 236 Cb 0.00 -1.44 -0.01 0.00 -0.57 0.00 0.00 31.44 29.43 2nqj n GLU 236 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2nqj n GLY 237 N 1.37 2.94 0.24 0.62 0.00 -1.24 -4.92 105.19 104.19 2nqj n GLY 237 Ca 0.08 -2.27 0.16 0.00 0.00 0.00 0.00 46.02 44.00 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 0.52 0.00 0.08 1.61 2.35 -0.45 -2.99 115.58 116.70 2nqj h ASN 238 Ca -0.26 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.32 2nqj h ASN 238 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 2nqj h ASN 238 CO 0.41 0.00 -0.86 0.40 -1.65 0.00 0.00 177.43 175.73 2nqj h ILE 239 N 0.00 1.36 0.00 2.81 2.04 -1.91 -3.47 117.51 118.34 2nqj h ILE 239 Ca 0.00 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 2nqj h ILE 239 Cb 0.13 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 2nqj h ILE 239 CO 0.00 0.64 0.00 0.61 0.00 0.00 0.00 178.15 179.40 2nqj n GLY 240 N 1.65 0.24 0.12 5.37 0.00 -1.13 -4.37 105.19 107.07 2nqj n GLY 240 Ca -0.18 -1.83 -0.01 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 -0.71 1.61 2.07 -1.90 -3.35 115.15 112.87 2nqj h HIS 241 Ca 0.00 0.00 0.14 0.00 -2.85 0.00 0.00 60.37 57.66 2nqj h HIS 241 Cb 0.00 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 29.85 2nqj h HIS 241 CO 0.00 0.69 -0.18 -0.44 -3.07 0.00 0.00 177.93 174.93 2nqj h ASP 242 N 0.00 -0.67 -0.56 3.10 3.45 -1.92 -0.78 116.42 119.04 2nqj h ASP 242 Ca -0.01 0.21 0.06 0.00 0.43 0.00 0.00 57.03 57.73 2nqj h ASP 242 Cb 1.43 0.44 -0.05 0.00 -0.56 0.00 0.00 39.33 40.59 2nqj h ASP 242 CO 0.09 -0.24 0.26 0.00 -1.57 0.00 0.00 179.24 177.79 2nqj h ALA 243 N 1.70 0.72 -0.12 3.45 0.00 -1.73 0.18 119.26 123.45 2nqj h ALA 243 Ca 0.34 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 2nqj h ALA 243 Cb 0.52 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2nqj h ALA 243 CO -0.73 -0.10 -0.35 0.74 0.00 0.00 0.00 179.25 178.80 2nqj h PHE 244 N 0.50 0.29 -0.06 0.00 -1.00 -1.39 0.87 116.94 116.15 2nqj h PHE 244 Ca 0.26 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 60.92 2nqj h PHE 244 Cb 0.21 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.71 2nqj h PHE 244 CO -0.12 0.58 -0.15 -0.09 -1.61 0.00 0.00 178.31 176.92 2nqj h ARG 245 N 0.22 0.20 -0.39 1.51 2.43 -0.79 -1.73 114.38 115.83 2nqj h ARG 245 Ca 0.03 -0.14 0.08 0.00 -0.81 0.00 0.00 59.98 59.14 2nqj h ARG 245 Cb 0.73 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 30.22 2nqj h ARG 245 CO 0.06 0.75 -0.25 2.35 -1.51 0.00 0.00 179.97 181.36 2nqj h TRP 246 N -0.32 -0.67 -0.41 2.20 7.01 -0.36 -0.60 115.95 122.80 2nqj h TRP 246 Ca -0.00 0.05 0.05 0.00 2.11 0.00 0.00 58.89 61.10 2nqj h TRP 246 Cb 0.76 0.35 -0.04 0.00 -2.10 0.00 0.00 29.16 28.13 2nqj h TRP 246 CO 0.12 -0.33 0.15 0.82 -2.79 0.00 0.00 178.44 176.42 2nqj h ILE 247 N -0.19 0.88 -0.01 2.65 2.04 -0.81 -1.69 117.51 120.38 2nqj h ILE 247 Ca 0.19 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2nqj h ILE 247 Cb 0.48 0.54 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2nqj h ILE 247 CO -0.50 0.06 0.02 0.24 0.00 0.00 0.00 178.15 177.97 2nqj h MET 248 N 0.32 0.00 -0.32 2.37 2.86 -0.19 -1.95 114.93 118.02 2nqj h MET 248 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 2nqj h MET 248 Cb 0.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2nqj h MET 248 CO -0.19 0.00 0.00 1.04 1.06 0.00 0.00 176.91 178.82 2nqj n GLN 249 N -3.60 2.48 -3.64 1.72 6.02 -0.62 -4.49 117.38 115.25 2nqj n GLN 249 Ca -0.03 -2.23 -0.39 0.00 -0.01 0.00 0.00 57.00 54.35 2nqj n GLN 249 Cb 0.10 -1.51 -0.12 0.00 1.02 0.00 0.00 30.24 29.74 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 -1.59 5.63 0.00 1.08 3.68 -0.73 -4.97 116.67 119.76 2nqj s ASP 250 Ca 0.37 -0.46 0.16 0.00 2.13 0.00 0.00 52.55 54.75 2nqj s ASP 250 Cb 0.22 -2.02 0.93 0.00 -1.45 0.00 0.00 42.92 40.60 2nqj s ASP 250 CO 0.32 -0.18 1.38 -0.90 0.13 0.00 0.00 175.17 175.91 2nqj n ASP 251 N 5.00 0.00 0.00 -0.34 5.68 -1.26 -2.31 116.55 123.32 2nqj n ASP 251 Ca -0.14 -0.41 0.11 0.00 -0.50 0.00 0.00 54.79 53.85 2nqj n ASP 251 Cb 0.50 -0.04 0.50 0.00 -1.14 0.00 0.00 41.12 40.93 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 -1.04 0.09 -1.21 0.11 1.74 -1.26 -3.06 116.66 112.03 2nqj n ARG 252 Ca 0.11 0.11 -0.16 0.00 -0.77 0.00 0.00 57.85 57.14 2nqj n ARG 252 Cb 0.07 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.14 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 -1.44 2.06 -3.79 -1.55 3.01 -0.98 -5.02 117.46 109.75 2nqj n PHE 253 Ca 0.07 -2.03 -0.24 0.00 1.01 0.00 0.00 57.45 56.26 2nqj n PHE 253 Cb 0.24 -0.70 -0.02 0.00 -0.01 0.00 0.00 39.48 38.99 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 -2.48 6.33 -1.30 4.37 1.11 -1.17 -4.50 116.67 119.03 2nqj s ASP 254 Ca 0.51 0.23 0.00 0.00 0.18 0.00 0.00 52.55 53.47 2nqj s ASP 254 Cb 0.44 -1.93 0.00 0.00 1.07 0.00 0.00 42.92 42.49 2nqj s ASP 254 CO 0.02 -0.09 0.00 0.61 1.18 0.00 0.00 175.17 176.89 2nqj n GLY 255 N -1.19 0.65 3.04 0.21 0.00 -0.46 -5.01 105.19 102.44 2nqj n GLY 255 Ca -0.07 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.58 0.16 -0.22 -0.61 -4.36 -1.26 -4.98 121.20 107.35 2nqj s ILE 256 Ca 0.00 -1.32 -0.29 0.00 -0.26 0.00 0.00 60.65 58.78 2nqj s ILE 256 Cb 0.00 -0.87 -0.02 0.00 1.25 0.00 0.00 42.46 42.81 2nqj s ILE 256 CO 0.00 -0.73 1.54 -2.84 0.24 0.00 0.00 174.94 173.15 2nqj s PRO 257 N -2.65 3.87 -0.48 0.37 0.02 -1.26 -3.56 135.00 131.31 2nqj s PRO 257 Ca -0.05 1.63 -0.13 0.00 0.02 0.00 0.00 61.00 62.47 2nqj s PRO 257 Cb -0.01 -3.99 0.10 0.00 0.02 0.00 0.00 34.50 30.62 2nqj s PRO 257 CO -0.05 -1.19 0.38 -0.51 -0.33 0.00 0.00 177.00 175.30 2nqj s LEU 258 N 4.86 5.67 -0.17 -5.54 1.43 0.19 -1.21 118.68 123.91 2nqj s LEU 258 Ca 0.68 -1.59 -0.07 0.00 -1.03 0.00 0.00 54.13 52.11 2nqj s LEU 258 Cb -0.24 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.83 2nqj s LEU 258 CO 0.27 -0.68 0.08 -0.63 0.23 0.00 0.00 176.35 175.62 2nqj s ILE 259 N 1.53 4.97 0.05 -0.59 -1.09 0.16 -1.43 121.20 124.81 2nqj s ILE 259 Ca 0.04 0.03 -0.21 0.00 -2.23 0.00 0.00 60.65 58.28 2nqj s ILE 259 Cb -0.26 -3.22 -0.06 0.00 -1.58 0.00 0.00 42.46 37.34 2nqj s ILE 259 CO 0.03 0.49 0.62 -0.76 -1.23 0.00 0.00 174.94 174.09 2nqj s LEU 260 N 0.05 4.49 -0.05 2.97 1.43 -0.54 -0.56 118.68 126.47 2nqj s LEU 260 Ca 0.07 1.28 0.19 0.00 -1.03 0.00 0.00 54.13 54.64 2nqj s LEU 260 Cb -0.12 -2.98 0.37 0.00 0.03 0.00 0.00 46.19 43.49 2nqj s LEU 260 CO 0.00 0.18 1.16 0.00 0.23 0.00 0.00 176.35 177.92 2nqj n GLN 261 N 2.18 0.36 -1.93 1.70 6.02 -1.25 -1.88 117.38 122.57 2nqj n GLN 261 Ca -0.08 -2.15 -0.37 0.00 -0.01 0.00 0.00 57.00 54.39 2nqj n GLN 261 Cb 0.51 -0.44 0.03 0.00 1.02 0.00 0.00 30.24 31.36 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 -0.75 2.42 0.67 5.09 -4.23 -1.26 -4.82 115.64 112.76 2nqj s THR 262 Ca 0.30 0.29 0.44 0.00 -1.18 0.00 0.00 61.69 61.54 2nqj s THR 262 Cb 0.33 -3.13 0.44 0.00 1.34 0.00 0.00 72.50 71.48 2nqj s THR 262 CO -0.12 -0.03 2.35 0.16 -0.54 0.00 0.00 174.62 176.44 2nqj h ILE 263 N 1.19 0.02 -3.58 2.99 3.07 -1.85 -3.38 117.51 115.96 2nqj h ILE 263 Ca -0.51 0.00 -0.67 0.00 1.55 0.00 0.00 64.86 65.24 2nqj h ILE 263 Cb 1.30 0.98 -0.39 0.00 -0.27 0.00 0.00 36.82 38.44 2nqj h ILE 263 CO 0.56 0.00 -0.65 0.21 -1.05 0.00 0.00 178.15 177.22 2nqj s ASN 264 N -5.14 4.81 0.48 2.16 2.47 -1.26 -4.97 114.94 113.48 2nqj s ASN 264 Ca -0.05 -2.34 0.15 0.00 0.42 0.00 0.00 52.86 51.04 2nqj s ASN 264 Cb 0.13 -1.68 1.14 0.00 -1.45 0.00 0.00 41.25 39.38 2nqj s ASN 264 CO 0.41 -0.38 2.07 -0.65 -3.72 0.00 0.00 177.10 174.82 2nqj h PRO 265 N 7.45 0.22 -0.14 0.43 0.11 -2.00 -2.73 132.00 135.35 2nqj h PRO 265 Ca -0.06 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.07 2nqj h PRO 265 Cb 1.00 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2nqj h PRO 265 CO 0.60 0.14 0.17 -0.44 -0.21 0.00 0.00 178.00 178.26 2nqj h ASP 266 N 0.22 0.00 -0.43 -2.05 5.19 -1.96 -0.69 116.42 116.70 2nqj h ASP 266 Ca 0.13 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.46 2nqj h ASP 266 Cb 0.24 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.70 2nqj h ASP 266 CO -0.02 0.00 0.06 2.30 -3.12 0.00 0.00 179.24 178.46 2nqj n ILE 267 N -3.70 2.55 0.04 0.35 -5.35 -1.03 -4.56 119.36 107.67 2nqj n ILE 267 Ca 0.01 -1.91 -0.02 0.00 -0.27 0.00 0.00 62.75 60.55 2nqj n ILE 267 Cb 0.28 -0.30 0.23 0.00 -1.74 0.00 0.00 39.64 38.12 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 2.12 0.45 -0.44 4.28 6.55 -1.25 -0.69 115.95 126.98 2nqj h TRP 268 Ca 0.11 -0.09 -0.03 0.00 0.95 0.00 0.00 58.89 59.82 2nqj h TRP 268 Cb 1.77 -0.11 -0.02 0.00 -0.86 0.00 0.00 29.16 29.94 2nqj h TRP 268 CO 0.85 0.63 0.14 0.00 -1.05 0.00 0.00 178.44 179.02 2nqj h ALA 269 N 1.37 0.58 -0.42 1.49 0.00 -1.80 0.28 119.26 120.76 2nqj h ALA 269 Ca 0.05 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2nqj h ALA 269 Cb 0.65 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2nqj h ALA 269 CO 0.05 0.22 -0.20 0.93 0.00 0.00 0.00 179.25 180.25 2nqj h GLU 270 N 0.57 0.87 -0.45 0.00 3.07 -1.83 -1.48 114.58 115.34 2nqj h GLU 270 Ca 0.14 -0.38 -0.04 0.00 -0.50 0.00 0.00 59.36 58.58 2nqj h GLU 270 Cb 0.25 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 2nqj h GLU 270 CO -0.01 1.03 0.11 0.93 -1.40 0.00 0.00 179.01 179.67 2nqj h GLU 271 N 0.69 0.72 -0.70 2.33 5.08 -0.86 0.19 114.58 122.04 2nqj h GLU 271 Ca 0.09 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2nqj h GLU 271 Cb 0.76 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 2nqj h GLU 271 CO 0.06 0.72 0.39 0.82 -1.00 0.00 0.00 179.01 180.00 2nqj h ILE 272 N 0.59 1.21 -0.27 3.13 2.04 -0.42 -0.85 117.51 122.96 2nqj h ILE 272 Ca 0.14 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 2nqj h ILE 272 Cb 0.32 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2nqj h ILE 272 CO 0.00 0.23 0.07 0.00 0.00 0.00 0.00 178.15 178.45 2nqj h ALA 273 N 1.19 0.35 -0.52 1.87 0.00 -0.88 -2.27 119.26 119.00 2nqj h ALA 273 Ca 0.25 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2nqj h ALA 273 Cb 0.03 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 2nqj h ALA 273 CO -0.04 0.00 0.27 2.35 0.00 0.00 0.00 179.25 181.83 2nqj h TRP 274 N 0.26 0.50 -0.33 0.00 7.01 -0.32 -0.89 115.95 122.17 2nqj h TRP 274 Ca 0.08 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.13 2nqj h TRP 274 Cb 0.28 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 2nqj h TRP 274 CO 0.01 0.25 0.15 -0.07 -2.79 0.00 0.00 178.44 175.99 2nqj h LEU 275 N 0.53 0.21 -0.60 0.65 3.38 -1.04 -2.25 115.31 116.19 2nqj h LEU 275 Ca 0.23 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.22 2nqj h LEU 275 Cb 0.12 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2nqj h LEU 275 CO -0.15 0.16 0.40 0.11 0.09 0.00 0.00 178.44 179.05 2nqj h LYS 276 N 0.32 0.79 0.00 1.13 1.57 -0.99 -1.29 116.57 118.09 2nqj h LYS 276 Ca 0.14 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2nqj h LYS 276 Cb 0.07 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2nqj h LYS 276 CO -0.11 0.52 0.00 0.00 -0.57 0.00 0.00 179.45 179.29 2nqj n ALA 277 N -2.26 1.08 0.64 3.86 0.00 -0.38 -1.84 120.51 121.61 2nqj n ALA 277 Ca 0.04 0.13 0.13 0.00 0.00 0.00 0.00 53.44 53.74 2nqj n ALA 277 Cb 0.02 -1.23 0.31 0.00 0.00 0.00 0.00 19.45 18.55 2nqj n ALA 277 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nqj n GLN 278 N -2.03 0.25 0.00 0.00 1.13 -0.49 -5.09 117.38 111.16 2nqj n GLN 278 Ca -0.01 0.14 0.06 0.00 -1.94 0.00 0.00 57.00 55.25 2nqj n GLN 278 Cb 0.04 -1.73 0.33 0.00 0.11 0.00 0.00 30.24 29.00 2nqj n GLN 278 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66