#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqb s ARG 3 N 0.00 2.89 -0.10 1.97 0.52 -1.26 -4.45 118.95 118.51 2aqb s ARG 3 Ca 0.00 -0.64 0.04 0.00 -0.52 0.00 0.00 55.73 54.61 2aqb s ARG 3 Cb 0.00 -2.74 0.00 0.00 0.52 0.00 0.00 34.95 32.74 2aqb s ARG 3 CO 0.00 0.59 -0.22 0.00 0.02 0.00 0.00 175.30 175.69 2aqb s ALA 4 N -1.29 2.09 0.17 2.13 0.00 -1.26 -1.29 121.76 122.30 2aqb s ALA 4 Ca 0.26 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.37 2aqb s ALA 4 Cb -0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2aqb s ALA 4 CO 0.18 0.21 -0.18 0.14 0.00 0.00 0.00 175.76 176.11 2aqb s VAL 5 N 0.47 1.82 -0.24 0.00 -7.23 0.58 -0.62 120.40 115.18 2aqb s VAL 5 Ca -0.16 -1.92 -0.15 0.00 -1.81 0.00 0.00 61.98 57.93 2aqb s VAL 5 Cb -0.17 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2aqb s VAL 5 CO 0.06 -0.32 0.38 -0.63 -0.31 0.00 0.00 175.10 174.29 2aqb s ILE 6 N -2.05 5.18 -0.08 -0.62 -1.09 0.36 -0.91 121.20 121.99 2aqb s ILE 6 Ca 0.16 0.63 0.01 0.00 -2.23 0.00 0.00 60.65 59.21 2aqb s ILE 6 Cb -0.06 -3.71 0.02 0.00 -1.58 0.00 0.00 42.46 37.13 2aqb s ILE 6 CO 0.07 0.20 0.92 0.35 -1.23 0.00 0.00 174.94 175.24 2aqb n THR 7 N 4.79 0.80 -3.62 2.92 -2.24 -0.53 -0.75 114.28 115.66 2aqb n THR 7 Ca -0.08 -0.90 -0.05 0.00 -2.27 0.00 0.00 64.05 60.75 2aqb n THR 7 Cb 0.51 0.60 -0.04 0.00 -2.10 0.00 0.00 70.33 69.30 2aqb n THR 7 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2aqb s GLY 8 N -0.82 -0.06 0.01 3.38 0.00 -1.26 -3.82 107.32 104.75 2aqb s GLY 8 Ca 0.02 2.48 -0.14 0.00 0.00 0.00 0.00 44.72 47.08 2aqb s GLY 8 CO 0.01 1.04 0.30 0.48 0.00 0.00 0.00 173.10 174.93 2aqb s LEU 9 N -1.12 0.91 -0.08 0.66 0.05 -1.26 -0.62 118.68 117.23 2aqb s LEU 9 Ca 0.05 -0.04 -0.14 0.00 0.05 0.00 0.00 54.13 54.05 2aqb s LEU 9 Cb -0.01 1.26 0.03 0.00 -2.05 0.00 0.00 46.19 45.42 2aqb s LEU 9 CO -0.04 -0.51 0.35 -0.83 -0.55 0.00 0.00 176.35 174.77 2aqb s GLY 10 N -1.61 -0.23 -0.16 -3.48 0.00 -0.11 -3.36 107.32 98.37 2aqb s GLY 10 Ca -0.10 0.72 -0.14 0.00 0.00 0.00 0.00 44.72 45.19 2aqb s GLY 10 CO 0.01 0.54 0.43 -1.50 0.00 0.00 0.00 173.10 172.58 2aqb s ILE 11 N -0.54 -0.00 -0.22 0.90 2.07 -1.26 -1.32 121.20 120.83 2aqb s ILE 11 Ca -0.07 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.18 2aqb s ILE 11 Cb -0.04 -0.60 0.06 0.00 0.13 0.00 0.00 42.46 42.01 2aqb s ILE 11 CO 0.02 0.01 0.01 -0.69 -1.91 0.00 0.00 174.94 172.38 2aqb s VAL 12 N 0.43 0.92 0.33 4.00 1.01 -0.75 -3.19 120.40 123.15 2aqb s VAL 12 Ca -0.02 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.18 2aqb s VAL 12 Cb -0.04 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2aqb s VAL 12 CO -0.02 -0.20 0.28 -0.94 0.00 0.00 0.00 175.10 174.23 2aqb s SER 13 N 1.67 1.69 0.57 3.32 1.04 0.45 -0.48 113.70 121.96 2aqb s SER 13 Ca -0.02 -1.76 0.34 0.00 0.48 0.00 0.00 55.95 54.99 2aqb s SER 13 Cb -0.18 0.56 1.69 0.00 0.10 0.00 0.00 66.02 68.19 2aqb s SER 13 CO -0.08 -1.07 2.12 0.77 0.98 0.00 0.00 173.24 175.96 2aqb h SER 14 N 2.13 0.00 -0.31 7.02 4.64 -1.76 -2.83 113.55 122.44 2aqb h SER 14 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2aqb h SER 14 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2aqb h SER 14 CO 0.36 0.05 0.00 2.30 -0.87 0.00 0.00 176.83 178.67 2aqb n ILE 15 N -3.30 1.19 0.00 0.95 -5.35 -1.26 -4.35 119.36 107.24 2aqb n ILE 15 Ca -0.01 -1.13 0.00 0.00 -0.27 0.00 0.00 62.75 61.34 2aqb n ILE 15 Cb 0.22 0.39 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 2aqb n ILE 15 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aqb n GLY 16 N 0.30 3.25 0.77 3.28 0.00 -1.07 -3.86 105.19 107.86 2aqb n GLY 16 Ca 0.12 -0.46 0.12 0.00 0.00 0.00 0.00 46.02 45.80 2aqb n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2aqb n ASN 17 N 0.00 2.53 -3.01 1.61 3.02 -1.26 -0.41 115.26 117.73 2aqb n ASN 17 Ca 0.00 -1.79 -0.11 0.00 -0.03 0.00 0.00 54.58 52.66 2aqb n ASN 17 Cb 0.00 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 2aqb n ASN 17 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2aqb s ASN 18 N -2.14 0.31 0.32 6.41 2.20 -1.19 -4.56 114.94 116.28 2aqb s ASN 18 Ca 0.26 -1.26 0.13 0.00 -0.94 0.00 0.00 52.86 51.06 2aqb s ASN 18 Cb 0.20 0.80 0.52 0.00 -2.00 0.00 0.00 41.25 40.76 2aqb s ASN 18 CO 0.38 -1.57 1.69 0.06 -2.94 0.00 0.00 177.10 174.71 2aqb h GLN 19 N 2.03 0.00 -0.37 3.55 3.07 -1.93 -2.34 115.11 119.13 2aqb h GLN 19 Ca -0.31 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.37 2aqb h GLN 19 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.79 2aqb h GLN 19 CO 0.40 0.51 -0.02 1.96 0.09 0.00 0.00 178.83 181.77 2aqb h GLN 20 N 0.00 0.66 -0.27 0.06 7.50 -1.99 0.21 115.11 121.29 2aqb h GLN 20 Ca -0.01 -0.22 -0.12 0.00 0.50 0.00 0.00 58.65 58.80 2aqb h GLN 20 Cb 0.96 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.42 2aqb h GLN 20 CO 0.07 0.78 -0.34 0.93 -1.50 0.00 0.00 178.83 178.77 2aqb h GLU 21 N 0.47 0.58 -0.32 1.46 5.08 -1.88 -2.35 114.58 117.62 2aqb h GLU 21 Ca 0.10 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 2aqb h GLU 21 Cb 0.50 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2aqb h GLU 21 CO 0.02 0.84 -0.14 0.28 -1.00 0.00 0.00 179.01 179.01 2aqb h VAL 22 N 0.49 1.29 0.05 3.13 2.07 -1.26 -1.56 116.25 120.46 2aqb h VAL 22 Ca 0.05 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.37 2aqb h VAL 22 Cb 0.82 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.95 2aqb h VAL 22 CO 0.07 0.40 -0.33 0.25 0.02 0.00 0.00 177.57 177.98 2aqb h LEU 23 N 0.43 -0.96 -0.64 2.57 6.46 -0.49 -0.51 115.31 122.16 2aqb h LEU 23 Ca 0.07 0.12 0.06 0.00 -0.12 0.00 0.00 57.88 58.01 2aqb h LEU 23 Cb 0.66 0.38 -0.06 0.00 -0.73 0.00 0.00 40.66 40.91 2aqb h LEU 23 CO 0.04 -0.40 0.34 0.00 -0.62 0.00 0.00 178.44 177.81 2aqb h ALA 24 N 0.18 0.86 -0.33 1.25 0.00 -1.42 -1.70 119.26 118.10 2aqb h ALA 24 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2aqb h ALA 24 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2aqb h ALA 24 CO -0.24 0.00 0.16 0.77 0.00 0.00 0.00 179.25 179.94 2aqb h SER 25 N 0.63 0.43 -0.07 0.00 0.02 -0.92 -1.72 113.55 111.92 2aqb h SER 25 Ca 0.29 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 61.12 2aqb h SER 25 Cb 0.20 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2aqb h SER 25 CO -0.19 0.44 0.00 -0.07 -1.14 0.00 0.00 176.83 175.87 2aqb h LEU 26 N 0.40 -0.03 -1.54 5.07 3.38 -0.83 -0.07 115.31 121.69 2aqb h LEU 26 Ca 0.11 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 2aqb h LEU 26 Cb 0.13 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2aqb h LEU 26 CO -0.01 -0.00 0.11 0.03 0.09 0.00 0.00 178.44 178.65 2aqb h ARG 27 N 0.03 0.41 0.00 1.13 3.08 -1.23 -2.69 114.38 115.10 2aqb h ARG 27 Ca 0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2aqb h ARG 27 Cb 0.04 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2aqb h ARG 27 CO -0.06 0.35 -0.51 -1.91 -1.07 0.00 0.00 179.97 176.77 2aqb n GLU 28 N -4.41 0.01 -2.53 0.04 2.13 -0.66 -4.77 120.64 110.46 2aqb n GLU 28 Ca 0.01 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.70 2aqb n GLU 28 Cb 0.14 -1.51 0.01 0.00 0.27 0.00 0.00 31.44 30.35 2aqb n GLU 28 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2aqb n GLY 29 N 1.49 -0.11 3.69 8.31 0.00 -0.20 -4.97 105.19 113.40 2aqb n GLY 29 Ca 0.05 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2aqb n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2aqb s ARG 30 N -5.00 4.42 0.34 1.61 3.52 -0.25 -4.98 118.95 118.61 2aqb s ARG 30 Ca 0.11 1.23 -0.28 0.00 -0.13 0.00 0.00 55.73 56.66 2aqb s ARG 30 Cb -0.05 -3.52 -0.10 0.00 -1.56 0.00 0.00 34.95 29.73 2aqb s ARG 30 CO 0.14 -0.20 1.20 0.45 -0.81 0.00 0.00 175.30 176.08 2aqb s SER 31 N 1.05 6.85 -0.11 -2.12 0.15 -1.26 -4.81 113.70 113.44 2aqb s SER 31 Ca 0.45 2.46 0.15 0.00 0.70 0.00 0.00 55.95 59.71 2aqb s SER 31 Cb -0.18 -2.63 0.51 0.00 -1.71 0.00 0.00 66.02 62.01 2aqb s SER 31 CO 0.19 -0.46 1.43 0.61 1.20 0.00 0.00 173.24 176.21 2aqb n GLY 32 N 0.87 3.32 3.67 9.45 0.00 -0.55 -4.95 105.19 116.99 2aqb n GLY 32 Ca 0.01 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 2aqb n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aqb s ILE 33 N -2.04 5.26 0.30 -0.61 -1.09 -1.26 -3.94 121.20 117.82 2aqb s ILE 33 Ca 0.39 0.52 0.08 0.00 -2.23 0.00 0.00 60.65 59.41 2aqb s ILE 33 Cb 0.27 -3.65 -0.06 0.00 -1.58 0.00 0.00 42.46 37.45 2aqb s ILE 33 CO 0.15 0.29 -0.09 0.42 -1.23 0.00 0.00 174.94 174.48 2aqb s THR 34 N 1.21 1.92 0.35 2.92 -4.23 -0.77 -4.09 115.64 112.96 2aqb s THR 34 Ca 0.15 -2.18 -0.27 0.00 -1.18 0.00 0.00 61.69 58.21 2aqb s THR 34 Cb -0.14 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.11 2aqb s THR 34 CO 0.07 -0.28 1.16 0.12 -0.54 0.00 0.00 174.62 175.15 2aqb s PHE 35 N -2.83 3.23 -0.24 3.99 2.19 -1.26 -2.04 117.98 121.01 2aqb s PHE 35 Ca 0.30 1.58 0.01 0.00 0.33 0.00 0.00 56.93 59.16 2aqb s PHE 35 Cb 0.02 -3.39 0.04 0.00 -1.31 0.00 0.00 43.02 38.39 2aqb s PHE 35 CO 0.14 -1.13 -0.12 0.45 1.83 0.00 0.00 175.22 176.39 2aqb s SER 36 N -0.99 4.13 0.22 6.13 0.15 0.18 -4.87 113.70 118.64 2aqb s SER 36 Ca 0.52 -1.11 -0.04 0.00 0.70 0.00 0.00 55.95 56.02 2aqb s SER 36 Cb -0.32 -1.56 0.20 0.00 -1.71 0.00 0.00 66.02 62.63 2aqb s SER 36 CO 0.41 -0.14 1.63 -0.61 1.20 0.00 0.00 173.24 175.72 2aqb h GLN 37 N 7.87 0.72 -0.27 5.44 5.75 -1.97 -2.59 115.11 130.06 2aqb h GLN 37 Ca -0.28 -0.30 0.06 0.00 -0.15 0.00 0.00 58.65 57.98 2aqb h GLN 37 Cb 1.08 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.54 2aqb h GLN 37 CO 0.53 0.91 -0.12 1.49 -2.65 0.00 0.00 178.83 178.98 2aqb h GLU 38 N 0.62 -0.08 -0.75 1.69 4.81 -1.96 0.62 114.58 119.53 2aqb h GLU 38 Ca 0.08 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2aqb h GLU 38 Cb 0.76 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 2aqb h GLU 38 CO 0.06 -0.05 0.29 -0.07 -0.73 0.00 0.00 179.01 178.51 2aqb h LEU 39 N -0.08 1.05 -0.16 1.64 3.38 -1.87 -1.53 115.31 117.74 2aqb h LEU 39 Ca 0.14 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2aqb h LEU 39 Cb 0.29 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2aqb h LEU 39 CO -0.33 0.94 0.04 0.50 0.09 0.00 0.00 178.44 179.69 2aqb h LYS 40 N 1.09 0.25 -0.87 1.13 3.64 -1.04 -2.84 116.57 117.93 2aqb h LYS 40 Ca 0.25 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.64 2aqb h LYS 40 Cb 0.23 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.96 2aqb h LYS 40 CO -0.02 0.39 0.57 -0.44 -2.27 0.00 0.00 179.45 177.68 2aqb h ASP 41 N 0.06 0.84 0.58 4.20 3.32 0.45 -1.95 116.42 123.92 2aqb h ASP 41 Ca 0.05 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2aqb h ASP 41 Cb 0.25 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.63 2aqb h ASP 41 CO -0.00 0.53 0.00 -1.54 -1.72 0.00 0.00 179.24 176.51 2aqb n SER 42 N -4.50 0.43 0.00 6.45 3.41 -0.59 -4.87 113.62 113.96 2aqb n SER 42 Ca 0.13 0.62 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 2aqb n SER 42 Cb 0.23 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 2aqb n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aqb n GLY 43 N -0.16 0.98 3.82 5.00 0.00 -0.73 -5.09 105.19 109.00 2aqb n GLY 43 Ca 0.02 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 2aqb n GLY 43 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2aqb s MET 44 N -0.77 3.05 0.16 1.61 -1.94 -1.08 -4.98 119.30 115.36 2aqb s MET 44 Ca 0.00 0.99 0.17 0.00 -1.71 0.00 0.00 55.69 55.14 2aqb s MET 44 Cb 0.00 -2.00 -0.04 0.00 2.01 0.00 0.00 34.83 34.80 2aqb s MET 44 CO 0.00 -1.01 1.08 0.00 -0.01 0.00 0.00 175.02 175.08 2aqb h ARG 45 N -0.48 0.00 -5.05 2.03 3.08 -1.95 -3.44 114.38 108.57 2aqb h ARG 45 Ca -0.44 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 58.97 2aqb h ARG 45 Cb 1.21 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.10 2aqb h ARG 45 CO 0.57 0.31 -0.33 0.45 -1.07 0.00 0.00 179.97 179.89 2aqb s SER 46 N -5.96 6.17 -0.17 7.04 0.15 -1.26 -4.71 113.70 114.96 2aqb s SER 46 Ca -0.00 0.14 0.15 0.00 0.70 0.00 0.00 55.95 56.95 2aqb s SER 46 Cb 0.08 -2.18 0.36 0.00 -1.71 0.00 0.00 66.02 62.58 2aqb s SER 46 CO 0.78 -0.16 1.21 1.41 1.20 0.00 0.00 173.24 177.68 2aqb n HIS 47 N 5.25 0.11 -4.64 3.44 8.25 -1.26 -4.57 115.22 121.79 2aqb n HIS 47 Ca -0.10 -1.21 -0.30 0.00 -0.26 0.00 0.00 57.72 55.85 2aqb n HIS 47 Cb 0.51 -0.21 -0.14 0.00 1.12 0.00 0.00 29.99 31.27 2aqb n HIS 47 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 2aqb s VAL 48 N -3.03 2.22 0.11 1.59 -7.23 -1.26 0.48 120.40 113.28 2aqb s VAL 48 Ca 0.35 -1.57 -0.20 0.00 -1.81 0.00 0.00 61.98 58.75 2aqb s VAL 48 Cb 0.32 -1.93 0.05 0.00 0.56 0.00 0.00 36.38 35.39 2aqb s VAL 48 CO -0.01 0.23 0.51 -1.66 -0.31 0.00 0.00 175.10 173.86 2aqb s TRP 49 N -0.94 -0.39 -0.99 2.82 -2.14 -0.87 -4.39 118.94 112.05 2aqb s TRP 49 Ca 0.13 0.23 -0.13 0.00 2.66 0.00 0.00 56.10 58.98 2aqb s TRP 49 Cb -0.10 0.39 0.21 0.00 -3.10 0.00 0.00 33.47 30.87 2aqb s TRP 49 CO 0.04 -0.73 1.03 0.20 -2.66 0.00 0.00 176.95 174.83 2aqb s GLY 50 N -2.52 2.65 0.38 3.67 0.00 0.69 -1.85 107.32 110.34 2aqb s GLY 50 Ca -0.00 -3.37 -0.18 0.00 0.00 0.00 0.00 44.72 41.17 2aqb s GLY 50 CO -0.09 1.54 0.84 0.54 0.00 0.00 0.00 173.10 175.93 2aqb s ASN 51 N 2.30 6.84 -0.21 1.64 4.22 -1.25 -2.04 114.94 126.43 2aqb s ASN 51 Ca 0.28 1.47 -0.29 0.00 -2.14 0.00 0.00 52.86 52.18 2aqb s ASN 51 Cb -0.08 -2.45 0.00 0.00 1.28 0.00 0.00 41.25 40.01 2aqb s ASN 51 CO -0.07 -0.29 1.09 -0.69 -2.04 0.00 0.00 177.10 175.10 2aqb s VAL 52 N -2.10 4.59 -1.09 3.54 1.01 -1.26 -4.10 120.40 120.99 2aqb s VAL 52 Ca 0.58 1.92 -0.04 0.00 0.00 0.00 0.00 61.98 64.44 2aqb s VAL 52 Cb -0.10 -4.24 0.30 0.00 0.00 0.00 0.00 36.38 32.34 2aqb s VAL 52 CO 0.16 -0.17 1.65 0.29 0.00 0.00 0.00 175.10 177.03 2aqb n LYS 53 N 6.37 4.73 -3.77 2.72 5.02 -1.26 -4.93 118.16 127.03 2aqb n LYS 53 Ca 0.12 -4.48 -0.13 0.00 -2.02 0.00 0.00 58.31 51.80 2aqb n LYS 53 Cb 0.46 -2.53 -0.13 0.00 -0.02 0.00 0.00 35.03 32.81 2aqb n LYS 53 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2aqb s LEU 54 N -3.06 0.88 -0.38 -0.35 2.96 -1.26 -4.98 118.68 112.49 2aqb s LEU 54 Ca 0.35 0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 54.46 2aqb s LEU 54 Cb 0.10 0.69 0.01 0.00 0.50 0.00 0.00 46.19 47.49 2aqb s LEU 54 CO 0.03 -0.11 0.85 -0.62 -1.32 0.00 0.00 176.35 175.17 2aqb s ASP 55 N 0.61 6.60 0.00 3.68 2.15 -1.26 -4.92 116.67 123.53 2aqb s ASP 55 Ca -0.04 0.41 0.26 0.00 0.43 0.00 0.00 52.55 53.61 2aqb s ASP 55 Cb -0.06 -2.43 0.64 0.00 -0.30 0.00 0.00 42.92 40.78 2aqb s ASP 55 CO -0.03 -0.81 1.51 0.35 -0.17 0.00 0.00 175.17 176.02 2aqb n THR 56 N 5.92 0.05 -1.67 1.71 -2.24 -1.26 -4.90 114.28 111.89 2aqb n THR 56 Ca 0.05 -0.39 -0.49 0.00 -2.27 0.00 0.00 64.05 60.95 2aqb n THR 56 Cb 0.48 0.92 -0.05 0.00 -2.10 0.00 0.00 70.33 69.58 2aqb n THR 56 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2aqb n THR 57 N 0.74 0.28 -1.15 4.28 -1.04 -1.26 -1.89 114.28 114.24 2aqb n THR 57 Ca 0.17 -0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.07 2aqb n THR 57 Cb 0.47 -1.54 -0.02 0.00 -1.82 0.00 0.00 70.33 67.42 2aqb n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2aqb n GLY 58 N 3.82 0.66 0.16 3.41 0.00 -1.26 -4.86 105.19 107.12 2aqb n GLY 58 Ca 0.21 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.13 2aqb n GLY 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqb h LEU 59 N 0.00 0.00 -8.33 0.99 4.07 -1.72 -3.45 115.31 106.87 2aqb h LEU 59 Ca -0.11 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.27 2aqb h LEU 59 Cb 0.75 0.00 -0.30 0.00 1.08 0.00 0.00 40.66 42.18 2aqb h LEU 59 CO 0.16 0.42 -0.84 -0.63 -1.08 0.00 0.00 178.44 176.46 2aqb s ILE 60 N -3.09 1.51 0.22 1.22 1.01 -1.26 -5.09 121.20 115.71 2aqb s ILE 60 Ca 0.04 -0.80 -0.31 0.00 0.00 0.00 0.00 60.65 59.58 2aqb s ILE 60 Cb 0.08 -1.28 -0.15 0.00 0.01 0.00 0.00 42.46 41.13 2aqb s ILE 60 CO 0.72 0.43 1.22 0.47 0.00 0.00 0.00 174.94 177.79 2aqb n ASP 61 N 2.83 1.84 -0.29 3.58 8.00 -1.26 -4.65 116.55 126.60 2aqb n ASP 61 Ca -0.16 1.15 0.11 0.00 0.71 0.00 0.00 54.79 56.60 2aqb n ASP 61 Cb 0.53 -1.30 0.26 0.00 -0.02 0.00 0.00 41.12 40.59 2aqb n ASP 61 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2aqb h ARG 62 N 3.42 0.22 0.00 -1.24 2.43 -1.98 0.37 114.38 117.60 2aqb h ARG 62 Ca -0.43 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2aqb h ARG 62 Cb 1.32 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2aqb h ARG 62 CO 0.70 0.14 0.00 1.63 -1.51 0.00 0.00 179.97 180.94 2aqb n LYS 63 N -5.21 0.11 -0.13 0.20 5.02 -1.26 -2.25 118.16 114.63 2aqb n LYS 63 Ca 0.19 0.23 -0.28 0.00 -2.02 0.00 0.00 58.31 56.44 2aqb n LYS 63 Cb 0.62 -1.67 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 2aqb n LYS 63 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2aqb n VAL 64 N -1.88 1.53 0.31 -0.18 0.31 -0.07 -4.51 118.33 113.85 2aqb n VAL 64 Ca 0.04 -0.29 0.15 0.00 -0.01 0.00 0.00 64.34 64.23 2aqb n VAL 64 Cb 0.29 -1.93 0.65 0.00 -0.91 0.00 0.00 33.84 31.94 2aqb n VAL 64 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 2aqb h VAL 65 N -1.00 0.00 0.00 2.52 3.04 -1.08 -2.91 116.25 116.82 2aqb h VAL 65 Ca -0.61 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 64.83 2aqb h VAL 65 Cb 1.53 1.04 -0.00 0.00 -2.01 0.00 0.00 31.29 31.84 2aqb h VAL 65 CO -0.37 0.00 -0.05 0.08 -1.01 0.00 0.00 177.57 176.23 2aqb h ARG 66 N 0.00 0.00 -0.00 4.17 0.11 -1.68 -2.00 114.38 114.97 2aqb h ARG 66 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2aqb h ARG 66 Cb 0.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.38 2aqb h ARG 66 CO 0.00 0.05 -0.48 1.19 0.10 0.00 0.00 179.97 180.82 2aqb n PHE 67 N -3.43 0.00 -4.03 4.08 3.72 -1.10 -4.85 117.46 111.86 2aqb n PHE 67 Ca -0.02 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.03 2aqb n PHE 67 Cb 0.17 -0.20 -0.07 0.00 -0.94 0.00 0.00 39.48 38.45 2aqb n PHE 67 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2aqb s MET 68 N -2.88 3.27 0.73 -1.08 -1.94 -0.76 -3.11 119.30 113.54 2aqb s MET 68 Ca 0.14 -0.28 -0.03 0.00 -1.71 0.00 0.00 55.69 53.81 2aqb s MET 68 Cb 0.18 -3.03 0.12 0.00 2.01 0.00 0.00 34.83 34.10 2aqb s MET 68 CO 0.67 0.73 1.01 -1.54 -0.01 0.00 0.00 175.02 175.88 2aqb s SER 69 N -1.25 4.36 0.41 3.03 1.04 -1.26 -4.93 113.70 115.11 2aqb s SER 69 Ca 0.18 -0.14 0.08 0.00 0.48 0.00 0.00 55.95 56.55 2aqb s SER 69 Cb -0.12 -0.30 0.87 0.00 0.10 0.00 0.00 66.02 66.58 2aqb s SER 69 CO 0.07 -1.85 2.03 0.44 0.98 0.00 0.00 173.24 174.91 2aqb h ASP 70 N -0.60 0.38 -0.41 7.02 3.45 -1.94 -2.02 116.42 122.30 2aqb h ASP 70 Ca -0.39 -0.02 0.02 0.00 0.43 0.00 0.00 57.03 57.06 2aqb h ASP 70 Cb 1.27 -0.10 -0.03 0.00 -0.56 0.00 0.00 39.33 39.92 2aqb h ASP 70 CO 0.44 0.33 0.24 0.00 -1.57 0.00 0.00 179.24 178.68 2aqb h ALA 71 N 1.73 0.51 -0.46 3.45 0.00 -1.87 -1.58 119.26 121.04 2aqb h ALA 71 Ca 0.11 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2aqb h ALA 71 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2aqb h ALA 71 CO -0.02 -0.09 -0.23 0.77 0.00 0.00 0.00 179.25 179.68 2aqb h SER 72 N 0.49 0.99 0.15 0.00 0.02 -1.80 -2.11 113.55 111.30 2aqb h SER 72 Ca 0.16 -0.38 0.02 0.00 -0.84 0.00 0.00 61.79 60.74 2aqb h SER 72 Cb 0.00 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.23 2aqb h SER 72 CO -0.07 1.17 -0.32 0.40 -1.14 0.00 0.00 176.83 176.87 2aqb h ILE 73 N 0.83 0.32 -0.97 3.27 2.04 -1.19 0.17 117.51 121.98 2aqb h ILE 73 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 2aqb h ILE 73 Cb 0.81 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 2aqb h ILE 73 CO 0.07 0.00 0.62 1.88 0.00 0.00 0.00 178.15 180.72 2aqb h TYR 74 N -0.56 1.25 -0.35 1.37 0.05 -1.29 -1.35 116.97 116.09 2aqb h TYR 74 Ca 0.02 0.01 -0.13 0.00 0.05 0.00 0.00 58.73 58.69 2aqb h TYR 74 Cb 0.58 -0.42 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2aqb h TYR 74 CO -0.27 0.80 -0.29 0.00 -1.05 0.00 0.00 178.16 177.35 2aqb h ALA 75 N 1.35 0.83 0.03 3.88 0.00 -1.12 -2.05 119.26 122.19 2aqb h ALA 75 Ca 0.35 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2aqb h ALA 75 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2aqb h ALA 75 CO -0.07 0.64 -0.02 0.35 0.00 0.00 0.00 179.25 180.15 2aqb h PHE 76 N 0.63 -0.04 -0.79 0.00 3.04 -0.17 0.12 116.94 119.73 2aqb h PHE 76 Ca 0.08 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.99 2aqb h PHE 76 Cb 0.81 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 39.30 2aqb h PHE 76 CO 0.04 0.06 0.36 -0.07 -2.02 0.00 0.00 178.31 176.68 2aqb h LEU 77 N -0.14 1.05 -0.69 0.59 3.38 -1.25 -0.29 115.31 117.97 2aqb h LEU 77 Ca -0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 2aqb h LEU 77 Cb 0.12 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2aqb h LEU 77 CO 0.01 0.90 0.41 0.28 0.09 0.00 0.00 178.44 180.13 2aqb h SER 78 N 1.12 0.83 -0.47 -0.43 0.02 -1.26 -2.09 113.55 111.28 2aqb h SER 78 Ca 0.27 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 61.08 2aqb h SER 78 Cb 0.14 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2aqb h SER 78 CO -0.03 0.65 0.01 -0.03 -1.14 0.00 0.00 176.83 176.29 2aqb h MET 79 N 0.94 0.88 -0.18 3.45 1.85 -0.08 -0.06 114.93 121.74 2aqb h MET 79 Ca 0.25 -0.25 0.02 0.00 -0.61 0.00 0.00 59.70 59.11 2aqb h MET 79 Cb -0.03 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 31.89 2aqb h MET 79 CO -0.05 0.87 0.05 0.93 -0.40 0.00 0.00 176.91 178.31 2aqb h GLU 80 N 0.82 0.12 -0.52 0.39 5.08 -0.88 0.42 114.58 120.01 2aqb h GLU 80 Ca 0.16 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2aqb h GLU 80 Cb 0.48 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2aqb h GLU 80 CO 0.02 0.08 0.35 1.96 -1.00 0.00 0.00 179.01 180.42 2aqb h GLN 81 N 0.12 0.69 -0.78 2.33 4.20 -1.15 -2.22 115.11 118.30 2aqb h GLN 81 Ca 0.08 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 2aqb h GLN 81 Cb 0.06 -0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.65 2aqb h GLN 81 CO -0.10 0.45 0.34 0.00 -0.67 0.00 0.00 178.83 178.85 2aqb h ALA 82 N 1.19 1.12 -0.13 3.87 0.00 -0.70 0.08 119.26 124.70 2aqb h ALA 82 Ca 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2aqb h ALA 82 Cb -0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2aqb h ALA 82 CO -0.04 0.64 0.04 0.82 0.00 0.00 0.00 179.25 180.71 2aqb h ILE 83 N 1.12 1.18 -0.45 0.00 2.04 -0.75 -1.56 117.51 119.09 2aqb h ILE 83 Ca 0.26 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2aqb h ILE 83 Cb 0.17 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2aqb h ILE 83 CO -0.03 0.16 0.24 0.00 0.00 0.00 0.00 178.15 178.53 2aqb h ALA 84 N 0.86 0.58 -0.75 1.87 0.00 -1.22 -2.47 119.26 118.13 2aqb h ALA 84 Ca 0.04 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2aqb h ALA 84 Cb 0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2aqb h ALA 84 CO -0.00 0.11 0.50 0.22 0.00 0.00 0.00 179.25 180.08 2aqb h ASP 85 N 0.59 0.80 0.86 0.00 3.58 -0.95 -2.09 116.42 119.22 2aqb h ASP 85 Ca 0.16 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2aqb h ASP 85 Cb 0.06 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2aqb h ASP 85 CO -0.02 0.56 0.00 0.00 -2.88 0.00 0.00 179.24 176.89 2aqb n ALA 86 N -2.43 2.36 -3.36 -0.78 0.00 -0.59 -4.78 120.51 110.93 2aqb n ALA 86 Ca 0.09 -0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 2aqb n ALA 86 Cb 0.11 -1.47 0.06 0.00 0.00 0.00 0.00 19.45 18.15 2aqb n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqb n GLY 87 N 1.41 -0.32 3.52 0.00 0.00 -0.78 -4.83 105.19 104.18 2aqb n GLY 87 Ca 0.09 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 2aqb n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqb s LEU 88 N -6.26 4.63 0.67 0.99 1.02 -0.98 -5.07 118.68 113.70 2aqb s LEU 88 Ca 0.47 -0.43 -0.12 0.00 0.02 0.00 0.00 54.13 54.07 2aqb s LEU 88 Cb -0.21 -2.37 -0.00 0.00 0.02 0.00 0.00 46.19 43.63 2aqb s LEU 88 CO 0.58 -0.46 1.06 -0.94 0.02 0.00 0.00 176.35 176.61 2aqb s SER 89 N 1.77 5.42 0.32 2.29 1.04 -1.26 -4.74 113.70 118.54 2aqb s SER 89 Ca 0.12 1.69 0.09 0.00 0.48 0.00 0.00 55.95 58.33 2aqb s SER 89 Cb -0.17 -2.51 0.91 0.00 0.10 0.00 0.00 66.02 64.35 2aqb s SER 89 CO 0.13 -1.41 1.67 -0.65 0.98 0.00 0.00 173.24 173.95 2aqb h PRO 90 N -0.43 0.31 0.00 4.02 0.11 -1.99 -0.40 132.00 133.62 2aqb h PRO 90 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 2aqb h PRO 90 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2aqb h PRO 90 CO 0.56 0.21 -0.02 0.93 -0.21 0.00 0.00 178.00 179.47 2aqb h GLU 91 N 0.32 0.00 0.17 1.05 4.39 -1.92 -1.12 114.58 117.47 2aqb h GLU 91 Ca 0.65 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 60.05 2aqb h GLU 91 Cb 1.38 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.04 2aqb h GLU 91 CO -0.60 0.02 -1.32 0.00 -1.16 0.00 0.00 179.01 175.95 2aqb h ALA 92 N 1.98 0.01 0.00 3.43 0.00 -1.42 -3.40 119.26 119.86 2aqb h ALA 92 Ca -0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 2aqb h ALA 92 Cb 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2aqb h ALA 92 CO 0.00 0.88 -1.29 2.48 0.00 0.00 0.00 179.25 181.32 2aqb n TYR 93 N -3.60 0.00 -2.75 0.00 0.18 -1.15 -4.98 117.16 104.86 2aqb n TYR 93 Ca -0.11 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.34 2aqb n TYR 93 Cb 1.05 -0.17 -0.06 0.00 -0.38 0.00 0.00 39.34 39.78 2aqb n TYR 93 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 2aqb s GLN 94 N -2.29 4.10 -1.58 -3.48 -0.21 -0.44 -4.15 119.66 111.62 2aqb s GLN 94 Ca -0.02 0.98 -0.12 0.00 0.02 0.00 0.00 55.36 56.23 2aqb s GLN 94 Cb 0.03 -2.21 0.10 0.00 1.00 0.00 0.00 33.01 31.92 2aqb s GLN 94 CO 0.22 -0.07 0.69 0.09 -2.12 0.00 0.00 175.29 174.10 2aqb n ASN 95 N -0.89 -2.50 -3.80 5.90 5.03 0.14 -4.88 115.26 114.26 2aqb n ASN 95 Ca 0.06 -0.98 -0.29 0.00 0.87 0.00 0.00 54.58 54.25 2aqb n ASN 95 Cb 0.54 -3.01 -0.16 0.00 -1.02 0.00 0.00 39.78 36.12 2aqb n ASN 95 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2aqb s ASN 96 N -3.66 3.33 0.60 6.41 3.84 -1.26 -4.95 114.94 119.25 2aqb s ASN 96 Ca 0.48 -1.02 0.33 0.00 0.21 0.00 0.00 52.86 52.86 2aqb s ASN 96 Cb -0.26 -0.82 1.77 0.00 -0.55 0.00 0.00 41.25 41.40 2aqb s ASN 96 CO 0.90 -0.29 1.99 -0.65 -2.79 0.00 0.00 177.10 176.26 2aqb h PRO 97 N 8.13 0.00 -0.11 0.43 0.11 -1.93 -0.39 132.00 138.25 2aqb h PRO 97 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2aqb h PRO 97 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2aqb h PRO 97 CO 0.37 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.70 2aqb n ARG 98 N -2.80 1.85 -4.55 1.05 5.12 -1.26 -3.95 116.66 112.12 2aqb n ARG 98 Ca -0.02 -1.26 -0.33 0.00 -1.93 0.00 0.00 57.85 54.31 2aqb n ARG 98 Cb 0.23 -1.45 -0.16 0.00 -1.16 0.00 0.00 32.46 29.92 2aqb n ARG 98 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2aqb s VAL 99 N -1.88 2.34 0.43 1.55 1.01 -0.16 -0.64 120.40 123.06 2aqb s VAL 99 Ca 0.35 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.49 2aqb s VAL 99 Cb 0.20 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 2aqb s VAL 99 CO 0.30 0.53 0.15 -0.83 0.00 0.00 0.00 175.10 175.25 2aqb s GLY 100 N 0.87 2.76 -0.07 4.51 0.00 -0.23 -0.28 107.32 114.88 2aqb s GLY 100 Ca -0.05 -1.08 -0.03 0.00 0.00 0.00 0.00 44.72 43.56 2aqb s GLY 100 CO -0.02 -1.84 0.15 -2.27 0.00 0.00 0.00 173.10 169.12 2aqb s LEU 101 N -3.64 0.42 -0.26 0.66 1.98 0.11 -0.85 118.68 117.09 2aqb s LEU 101 Ca 0.21 0.31 -0.02 0.00 -2.89 0.00 0.00 54.13 51.74 2aqb s LEU 101 Cb 0.01 0.33 0.08 0.00 0.66 0.00 0.00 46.19 47.27 2aqb s LEU 101 CO 0.15 -0.18 0.07 -0.63 -1.89 0.00 0.00 176.35 173.86 2aqb s ILE 102 N 1.59 0.69 -0.19 6.68 1.01 0.23 -2.94 121.20 128.27 2aqb s ILE 102 Ca -0.05 -1.01 -0.14 0.00 0.00 0.00 0.00 60.65 59.45 2aqb s ILE 102 Cb -0.12 -1.37 0.05 0.00 0.01 0.00 0.00 42.46 41.04 2aqb s ILE 102 CO -0.06 -0.48 0.49 0.00 0.00 0.00 0.00 174.94 174.89 2aqb s ALA 103 N 1.74 -1.24 0.03 9.38 0.00 -1.11 -2.42 121.76 128.15 2aqb s ALA 103 Ca 0.05 1.55 0.01 0.00 0.00 0.00 0.00 51.96 53.56 2aqb s ALA 103 Cb -0.17 -0.91 -0.00 0.00 0.00 0.00 0.00 23.12 22.03 2aqb s ALA 103 CO -0.19 -0.26 0.02 0.41 0.00 0.00 0.00 175.76 175.74 2aqb n GLY 104 N 3.45 3.94 3.19 0.00 0.00 -1.14 -3.07 105.19 111.55 2aqb n GLY 104 Ca -0.17 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 2aqb n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2aqb s SER 105 N -1.19 0.84 0.15 1.61 1.04 -1.26 -2.26 113.70 112.62 2aqb s SER 105 Ca 0.03 -1.14 -0.07 0.00 0.48 0.00 0.00 55.95 55.24 2aqb s SER 105 Cb 0.00 0.18 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 2aqb s SER 105 CO 0.02 -0.61 1.41 1.23 0.98 0.00 0.00 173.24 176.27 2aqb h GLY 106 N 2.84 0.74 -0.05 7.32 0.00 -1.81 -3.40 103.07 108.71 2aqb h GLY 106 Ca -0.36 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.03 2aqb h GLY 106 CO 0.62 0.84 -0.22 0.61 0.00 0.00 0.00 176.54 178.39 2aqb n GLY 107 N 0.47 0.37 7.00 4.60 0.00 -1.26 -4.71 105.19 111.66 2aqb n GLY 107 Ca -0.05 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2aqb n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqb n GLY 108 N 1.05 2.97 2.53 -0.02 0.00 -1.26 -3.96 105.19 106.50 2aqb n GLY 108 Ca 0.01 -0.25 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 2aqb n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2aqb s SER 109 N -4.00 2.72 0.29 1.61 0.15 -1.25 -4.67 113.70 108.54 2aqb s SER 109 Ca 0.00 -2.75 0.03 0.00 0.70 0.00 0.00 55.95 53.93 2aqb s SER 109 Cb 0.00 -0.66 0.70 0.00 -1.71 0.00 0.00 66.02 64.36 2aqb s SER 109 CO 0.00 -0.23 1.68 -0.65 1.20 0.00 0.00 173.24 175.25 2aqb h PRO 110 N 6.31 0.34 -0.35 5.44 0.11 -1.91 -0.73 132.00 141.21 2aqb h PRO 110 Ca 0.13 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.29 2aqb h PRO 110 Cb 0.92 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.88 2aqb h PRO 110 CO 0.39 0.22 -0.10 -0.09 -0.21 0.00 0.00 178.00 178.21 2aqb h ARG 111 N 0.35 -0.01 0.00 1.05 2.43 -1.94 -1.54 114.38 114.71 2aqb h ARG 111 Ca 0.55 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.62 2aqb h ARG 111 Cb 1.05 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 2aqb h ARG 111 CO -0.55 -0.01 -0.68 0.74 -1.51 0.00 0.00 179.97 177.96 2aqb h PHE 112 N -0.01 0.00 -0.19 2.20 -1.00 -1.82 0.87 116.94 116.99 2aqb h PHE 112 Ca 0.17 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.96 2aqb h PHE 112 Cb 0.28 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 2aqb h PHE 112 CO -0.33 0.43 0.10 1.96 -1.61 0.00 0.00 178.31 178.85 2aqb h GLN 113 N 0.00 0.20 -0.48 1.51 4.20 -0.96 -1.48 115.11 118.09 2aqb h GLN 113 Ca -0.04 -0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 2aqb h GLN 113 Cb 1.36 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 2aqb h GLN 113 CO 0.05 0.13 0.02 0.28 -0.67 0.00 0.00 178.83 178.65 2aqb h VAL 114 N 0.21 1.26 -0.08 -0.54 2.07 -1.20 -2.84 116.25 115.13 2aqb h VAL 114 Ca 0.07 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.60 2aqb h VAL 114 Cb 0.01 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2aqb h VAL 114 CO -0.04 0.36 -0.09 0.15 0.02 0.00 0.00 177.57 177.97 2aqb h PHE 115 N 0.69 -0.22 -0.74 1.57 3.57 -0.74 -0.40 116.94 120.66 2aqb h PHE 115 Ca 0.14 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.79 2aqb h PHE 115 Cb 0.47 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 39.23 2aqb h PHE 115 CO 0.04 -0.14 0.29 0.78 -2.23 0.00 0.00 178.31 177.05 2aqb h GLY 116 N -0.12 1.11 0.76 2.40 0.00 -1.22 0.15 103.07 106.15 2aqb h GLY 116 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 2aqb h GLY 116 CO -0.15 -0.09 0.01 0.00 0.00 0.00 0.00 176.54 176.30 2aqb h ALA 117 N 1.54 0.12 -0.28 3.60 0.00 -1.22 -1.70 119.26 121.33 2aqb h ALA 117 Ca 0.40 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.16 2aqb h ALA 117 Cb 0.60 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2aqb h ALA 117 CO -0.40 -0.20 0.13 -0.44 0.00 0.00 0.00 179.25 178.34 2aqb h ASP 118 N -0.10 0.19 -0.88 0.00 3.45 -0.60 -2.46 116.42 116.01 2aqb h ASP 118 Ca 0.03 0.01 0.01 0.00 0.43 0.00 0.00 57.03 57.51 2aqb h ASP 118 Cb 0.33 -0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 39.03 2aqb h ASP 118 CO 0.00 0.14 0.57 0.00 -1.57 0.00 0.00 179.24 178.39 2aqb h ALA 119 N 1.15 1.11 -0.26 3.45 0.00 -0.71 -2.46 119.26 121.54 2aqb h ALA 119 Ca 0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2aqb h ALA 119 Cb 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2aqb h ALA 119 CO -0.09 0.53 -0.12 1.98 0.00 0.00 0.00 179.25 181.55 2aqb h MET 120 N 1.19 0.43 -0.00 0.00 1.85 -1.14 -2.73 114.93 114.53 2aqb h MET 120 Ca 0.32 -0.12 0.00 0.00 -0.61 0.00 0.00 59.70 59.29 2aqb h MET 120 Cb -0.12 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 31.86 2aqb h MET 120 CO -0.07 0.56 -0.01 0.54 -0.40 0.00 0.00 176.91 177.53 2aqb n ARG 121 N -4.22 0.74 -2.05 0.39 3.00 -0.94 -4.38 116.66 109.20 2aqb n ARG 121 Ca 0.00 -0.06 -0.15 0.00 -0.01 0.00 0.00 57.85 57.64 2aqb n ARG 121 Cb 0.31 -1.50 0.07 0.00 0.00 0.00 0.00 32.46 31.34 2aqb n ARG 121 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2aqb n GLY 122 N 1.16 1.09 0.20 -0.13 0.00 -1.03 -5.00 105.19 101.48 2aqb n GLY 122 Ca 0.18 -2.07 0.15 0.00 0.00 0.00 0.00 46.02 44.28 2aqb n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2aqb h PRO 123 N 0.00 0.00 -0.00 1.61 0.13 -1.90 -2.90 132.00 128.94 2aqb h PRO 123 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2aqb h PRO 123 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2aqb h PRO 123 CO 0.24 0.00 -0.81 0.54 -0.23 0.00 0.00 178.00 177.74 2aqb n ARG 124 N -2.61 1.09 0.00 0.86 1.74 -1.26 -5.04 116.66 111.44 2aqb n ARG 124 Ca 0.01 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 2aqb n ARG 124 Cb 0.24 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 2aqb n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aqb n GLY 125 N 1.41 2.59 0.36 -0.13 0.00 -1.10 -1.71 105.19 106.62 2aqb n GLY 125 Ca 0.04 0.32 0.05 0.00 0.00 0.00 0.00 46.02 46.43 2aqb n GLY 125 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqb h LEU 126 N 0.00 0.78 -1.05 0.99 4.07 -1.87 -2.55 115.31 115.68 2aqb h LEU 126 Ca 0.00 0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.87 2aqb h LEU 126 Cb 0.00 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.57 2aqb h LEU 126 CO 0.00 0.50 -0.46 0.11 -1.08 0.00 0.00 178.44 177.51 2aqb h LYS 127 N 0.88 0.04 -0.05 1.13 1.57 -1.71 -2.05 116.57 116.38 2aqb h LYS 127 Ca 0.35 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.93 2aqb h LYS 127 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2aqb h LYS 127 CO -0.12 0.49 -0.76 0.00 -0.57 0.00 0.00 179.45 178.48 2aqb h ALA 128 N 1.51 0.61 -0.46 3.86 0.00 -1.51 -3.24 119.26 120.03 2aqb h ALA 128 Ca -0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2aqb h ALA 128 Cb 0.82 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2aqb h ALA 128 CO 0.06 0.80 0.22 0.28 0.00 0.00 0.00 179.25 180.61 2aqb h VAL 129 N 0.21 1.18 -1.43 0.00 2.07 -1.11 -3.48 116.25 113.69 2aqb h VAL 129 Ca -0.03 -0.51 0.16 0.00 0.82 0.00 0.00 66.70 67.14 2aqb h VAL 129 Cb 1.34 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 2aqb h VAL 129 CO 0.12 0.20 -0.36 0.61 0.02 0.00 0.00 177.57 178.16 2aqb n GLY 130 N -0.91 -2.12 0.78 2.17 0.00 -0.81 -4.53 105.19 99.76 2aqb n GLY 130 Ca 0.01 -1.34 0.05 0.00 0.00 0.00 0.00 46.02 44.74 2aqb n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aqb n PRO 131 N -3.12 2.09 -0.00 1.61 -0.04 -1.26 -4.27 135.00 130.00 2aqb n PRO 131 Ca -0.01 -1.28 0.05 0.00 -0.04 0.00 0.00 63.50 62.21 2aqb n PRO 131 Cb 0.29 -1.44 0.04 0.00 -0.04 0.00 0.00 33.50 32.35 2aqb n PRO 131 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2aqb n TYR 132 N 0.42 0.01 0.01 0.54 4.01 -1.26 -4.71 117.16 116.18 2aqb n TYR 132 Ca 0.12 -0.02 -0.11 0.00 -0.16 0.00 0.00 57.90 57.74 2aqb n TYR 132 Cb 0.41 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.47 2aqb n TYR 132 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2aqb h VAL 133 N 1.77 1.32 -0.05 -0.72 2.07 -1.80 -2.95 116.25 115.90 2aqb h VAL 133 Ca 0.00 -1.88 -0.00 0.00 0.82 0.00 0.00 66.70 65.64 2aqb h VAL 133 Cb 0.39 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2aqb h VAL 133 CO 0.00 0.58 0.03 0.58 0.02 0.00 0.00 177.57 178.78 2aqb h VAL 134 N 0.43 1.05 0.00 2.57 2.07 -1.92 0.30 116.25 120.75 2aqb h VAL 134 Ca -0.00 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 2aqb h VAL 134 Cb 1.17 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 2aqb h VAL 134 CO 0.11 0.05 -0.15 0.71 0.02 0.00 0.00 177.57 178.31 2aqb h THR 135 N 0.02 0.81 0.23 2.57 1.35 -1.82 0.90 112.91 116.97 2aqb h THR 135 Ca 0.02 -0.59 -0.30 0.00 -0.55 0.00 0.00 66.41 64.99 2aqb h THR 135 Cb 0.05 1.34 0.04 0.00 -1.73 0.00 0.00 68.15 67.85 2aqb h THR 135 CO -0.00 0.15 -1.33 0.11 -0.25 0.00 0.00 175.52 174.19 2aqb h LYS 136 N 0.00 0.49 0.00 4.72 1.57 -1.26 -3.41 116.57 118.68 2aqb h LYS 136 Ca -0.00 -0.83 -0.23 0.00 -1.87 0.00 0.00 60.65 57.72 2aqb h LYS 136 Cb 0.33 0.31 -0.04 0.00 0.08 0.00 0.00 32.23 32.91 2aqb h LYS 136 CO 0.02 1.40 -1.89 0.00 -0.57 0.00 0.00 179.45 178.40 2aqb n ALA 137 N -2.71 1.87 -1.74 3.86 0.00 1.00 -4.00 120.51 118.79 2aqb n ALA 137 Ca -0.16 -0.85 -0.38 0.00 0.00 0.00 0.00 53.44 52.05 2aqb n ALA 137 Cb 1.04 -0.63 0.06 0.00 0.00 0.00 0.00 19.45 19.91 2aqb n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aqb s MET 138 N -2.83 2.81 0.51 0.00 0.23 0.28 -3.82 119.30 116.48 2aqb s MET 138 Ca -0.06 2.16 0.16 0.00 -1.03 0.00 0.00 55.69 56.92 2aqb s MET 138 Cb 0.09 -2.04 1.24 0.00 -1.53 0.00 0.00 34.83 32.59 2aqb s MET 138 CO 0.84 -1.42 2.11 0.00 -2.03 0.00 0.00 175.02 174.51 2aqb h ALA 139 N 0.96 2.05 -0.40 3.16 0.00 -1.93 -1.05 119.26 122.06 2aqb h ALA 139 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2aqb h ALA 139 Cb 1.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2aqb h ALA 139 CO 0.55 -0.08 0.00 -1.13 0.00 0.00 0.00 179.25 178.58 2aqb n SER 140 N -4.50 3.49 -0.23 0.00 3.41 -1.26 -4.53 113.62 109.99 2aqb n SER 140 Ca 0.00 -2.38 0.02 0.00 -0.26 0.00 0.00 58.87 56.25 2aqb n SER 140 Cb 0.18 -0.51 0.12 0.00 -0.26 0.00 0.00 64.21 63.74 2aqb n SER 140 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2aqb h GLY 141 N 4.59 0.69 0.93 5.00 0.00 -1.41 -1.55 103.07 111.33 2aqb h GLY 141 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.47 2aqb h GLY 141 CO 0.20 -0.25 0.29 -2.08 0.00 0.00 0.00 176.54 174.71 2aqb h VAL 142 N 0.08 1.08 -0.16 4.60 2.07 -1.83 -0.91 116.25 121.18 2aqb h VAL 142 Ca 0.36 -0.20 -0.12 0.00 0.82 0.00 0.00 66.70 67.55 2aqb h VAL 142 Cb 0.59 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2aqb h VAL 142 CO -0.62 0.11 -0.38 0.77 0.02 0.00 0.00 177.57 177.47 2aqb h SER 143 N 0.59 0.61 -0.50 0.57 4.64 -1.39 -3.13 113.55 114.94 2aqb h SER 143 Ca 0.18 -0.57 -0.06 0.00 -0.47 0.00 0.00 61.79 60.87 2aqb h SER 143 Cb -0.02 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 2aqb h SER 143 CO -0.07 1.07 0.12 0.00 -0.87 0.00 0.00 176.83 177.08 2aqb h ALA 144 N 0.55 1.16 0.00 5.18 0.00 -1.17 -0.42 119.26 124.57 2aqb h ALA 144 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2aqb h ALA 144 Cb 0.99 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2aqb h ALA 144 CO 0.08 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.90 2aqb n LEU 146 N -2.31 2.66 -0.17 0.00 4.77 -1.07 -4.42 117.00 116.46 2aqb n LEU 146 Ca 0.05 -0.02 0.04 0.00 -0.03 0.00 0.00 56.01 56.05 2aqb n LEU 146 Cb 0.39 -0.74 0.33 0.00 -2.33 0.00 0.00 43.42 41.07 2aqb n LEU 146 CO 0.28 0.78 1.22 0.00 -1.33 0.00 0.00 177.39 178.33 2aqb h ALA 147 N -0.20 1.64 0.54 -1.18 0.00 -1.19 -1.85 119.26 117.02 2aqb h ALA 147 Ca -0.51 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 2aqb h ALA 147 Cb 1.70 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.27 2aqb h ALA 147 CO -0.14 0.28 -0.26 1.15 0.00 0.00 0.00 179.25 180.28 2aqb h THR 148 N 0.80 0.07 -0.42 0.00 2.02 -1.79 0.08 112.91 113.67 2aqb h THR 148 Ca 0.28 -0.47 -0.06 0.00 0.77 0.00 0.00 66.41 66.93 2aqb h THR 148 Cb 0.11 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.60 2aqb h THR 148 CO -0.08 0.01 0.01 1.55 0.37 0.00 0.00 175.52 177.38 2aqb h PRO 149 N -1.17 0.67 0.00 6.66 0.13 -1.76 -2.43 132.00 134.10 2aqb h PRO 149 Ca -0.07 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2aqb h PRO 149 Cb 0.58 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2aqb h PRO 149 CO 0.12 0.68 0.00 1.19 -0.23 0.00 0.00 178.00 179.76 2aqb n PHE 150 N -4.25 0.00 -3.59 1.56 3.72 -0.70 -4.91 117.46 109.29 2aqb n PHE 150 Ca 0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.21 2aqb n PHE 150 Cb 0.27 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.88 2aqb n PHE 150 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2aqb n LYS 151 N -0.81 -6.36 -2.76 -1.08 4.76 -0.91 -4.56 118.16 106.44 2aqb n LYS 151 Ca 0.14 0.76 -0.42 0.00 -2.87 0.00 0.00 58.31 55.92 2aqb n LYS 151 Cb 0.06 -5.65 -0.03 0.00 -1.84 0.00 0.00 35.03 27.57 2aqb n LYS 151 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2aqb s ILE 152 N -3.42 4.88 -0.42 -0.18 -1.09 -0.01 -0.69 121.20 120.28 2aqb s ILE 152 Ca 0.20 1.96 0.13 0.00 -2.23 0.00 0.00 60.65 60.71 2aqb s ILE 152 Cb -0.09 -4.27 -0.16 0.00 -1.58 0.00 0.00 42.46 36.35 2aqb s ILE 152 CO 0.76 0.14 0.46 1.41 -1.23 0.00 0.00 174.94 176.49 2aqb n HIS 153 N 4.10 0.00 -0.03 3.97 8.25 -1.22 -4.87 115.22 125.42 2aqb n HIS 153 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2aqb n HIS 153 Cb 0.51 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.52 2aqb n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2aqb n GLY 154 N 1.45 1.20 3.76 -1.41 0.00 0.62 -4.60 105.19 106.21 2aqb n GLY 154 Ca 0.01 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 2aqb n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2aqb s VAL 155 N 1.48 2.56 -0.27 1.61 -7.23 -1.26 -4.84 120.40 112.45 2aqb s VAL 155 Ca 0.00 0.46 -0.01 0.00 -1.81 0.00 0.00 61.98 60.63 2aqb s VAL 155 Cb 0.00 -3.26 0.14 0.00 0.56 0.00 0.00 36.38 33.83 2aqb s VAL 155 CO 0.00 0.04 0.37 0.21 -0.31 0.00 0.00 175.10 175.40 2aqb s ASN 156 N -0.91 0.59 0.06 4.85 2.47 -1.24 0.04 114.94 120.79 2aqb s ASN 156 Ca 0.62 -0.19 -0.28 0.00 0.42 0.00 0.00 52.86 53.43 2aqb s ASN 156 Cb -0.37 0.97 0.10 0.00 -1.45 0.00 0.00 41.25 40.50 2aqb s ASN 156 CO 0.46 -0.34 1.15 -0.72 -3.72 0.00 0.00 177.10 173.93 2aqb s TYR 157 N 2.50 -0.08 -0.06 0.43 -0.85 -1.15 -5.03 117.35 113.11 2aqb s TYR 157 Ca 0.11 -0.11 0.02 0.00 -0.52 0.00 0.00 57.07 56.56 2aqb s TYR 157 Cb -0.14 0.59 -0.03 0.00 0.38 0.00 0.00 41.96 42.76 2aqb s TYR 157 CO -0.24 -0.51 -0.09 -1.12 -1.52 0.00 0.00 175.55 172.07 2aqb s SER 158 N -2.97 4.44 -0.10 -0.18 0.01 -1.26 -2.75 113.70 110.89 2aqb s SER 158 Ca 0.13 -0.08 -0.07 0.00 1.31 0.00 0.00 55.95 57.25 2aqb s SER 158 Cb 0.02 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.15 2aqb s SER 158 CO -0.01 0.36 0.16 -0.63 0.41 0.00 0.00 173.24 173.52 2aqb s ILE 159 N -0.77 5.47 -0.07 1.44 -1.09 -1.26 -4.94 121.20 119.98 2aqb s ILE 159 Ca 0.12 0.18 0.02 0.00 -2.23 0.00 0.00 60.65 58.74 2aqb s ILE 159 Cb -0.11 -3.44 0.01 0.00 -1.58 0.00 0.00 42.46 37.35 2aqb s ILE 159 CO 0.01 0.57 -0.13 -0.55 -1.23 0.00 0.00 174.94 173.61 2aqb s SER 160 N -1.18 1.92 -0.39 3.58 0.15 -1.26 -4.07 113.70 112.45 2aqb s SER 160 Ca 0.17 -0.32 0.10 0.00 0.70 0.00 0.00 55.95 56.60 2aqb s SER 160 Cb -0.12 -0.88 0.40 0.00 -1.71 0.00 0.00 66.02 63.70 2aqb s SER 160 CO 0.07 0.04 1.31 -1.54 1.20 0.00 0.00 173.24 174.32 2aqb n SER 161 N 3.84 -1.43 0.00 5.45 3.41 -1.26 -4.93 113.62 118.69 2aqb n SER 161 Ca -0.22 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 2aqb n SER 161 Cb 0.52 0.80 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 2aqb n SER 161 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aqb n ALA 162 N -0.56 0.00 0.21 7.33 0.00 -1.26 -1.49 120.51 124.74 2aqb n ALA 162 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.53 2aqb n ALA 162 Cb 0.85 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.87 2aqb n ALA 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aqb n ALA 164 N -1.78 2.76 -0.28 0.00 0.00 -0.56 -4.26 120.51 116.39 2aqb n ALA 164 Ca -0.01 -0.62 -0.09 0.00 0.00 0.00 0.00 53.44 52.72 2aqb n ALA 164 Cb 0.08 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 18.81 2aqb n ALA 164 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2aqb h THR 165 N 3.13 0.00 0.00 0.00 2.02 -1.31 -1.13 112.91 115.62 2aqb h THR 165 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2aqb h THR 165 Cb 0.73 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2aqb h THR 165 CO 0.00 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 174.35 2aqb n SER 166 N -4.77 0.80 0.04 4.18 3.41 -1.18 -1.80 113.62 114.30 2aqb n SER 166 Ca 0.01 0.58 -0.20 0.00 -0.26 0.00 0.00 58.87 59.00 2aqb n SER 166 Cb 0.22 -0.79 -0.11 0.00 -0.26 0.00 0.00 64.21 63.26 2aqb n SER 166 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2aqb h ALA 167 N 2.52 0.09 -0.35 7.33 0.00 -1.60 -2.30 119.26 124.95 2aqb h ALA 167 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.21 2aqb h ALA 167 Cb 0.73 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2aqb h ALA 167 CO 0.00 0.58 0.06 0.45 0.00 0.00 0.00 179.25 180.34 2aqb h HIS 168 N 0.21 0.53 -0.28 0.00 -0.00 -1.13 -1.54 115.15 112.94 2aqb h HIS 168 Ca -0.12 -0.04 0.01 0.00 -0.00 0.00 0.00 60.37 60.22 2aqb h HIS 168 Cb 1.61 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.84 2aqb h HIS 168 CO 0.12 0.48 0.18 0.00 -0.00 0.00 0.00 177.93 178.71 2aqb h ILE 170 N 0.37 1.25 -0.61 0.00 2.04 -1.23 -1.32 117.51 118.00 2aqb h ILE 170 Ca 0.11 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 65.00 2aqb h ILE 170 Cb -0.03 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 36.97 2aqb h ILE 170 CO -0.03 0.33 0.29 1.23 0.00 0.00 0.00 178.15 179.97 2aqb h GLY 171 N 0.66 0.95 1.59 5.37 0.00 -1.15 -0.86 103.07 109.63 2aqb h GLY 171 Ca 0.14 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 2aqb h GLY 171 CO 0.01 0.45 0.00 -0.57 0.00 0.00 0.00 176.54 176.44 2aqb h ASN 172 N 0.84 0.48 -0.44 0.19 -1.24 -0.86 -1.77 115.58 112.78 2aqb h ASN 172 Ca 0.21 -0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.12 2aqb h ASN 172 Cb 0.13 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.04 2aqb h ASN 172 CO -0.03 0.54 0.22 0.00 -1.29 0.00 0.00 177.43 176.88 2aqb h ALA 173 N 1.52 0.56 -0.64 1.57 0.00 -0.71 -2.27 119.26 119.29 2aqb h ALA 173 Ca 0.11 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2aqb h ALA 173 Cb 0.31 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2aqb h ALA 173 CO 0.01 0.11 0.38 0.28 0.00 0.00 0.00 179.25 180.03 2aqb h VAL 174 N 0.57 1.04 -0.92 0.00 2.07 -0.77 -2.65 116.25 115.59 2aqb h VAL 174 Ca 0.15 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2aqb h VAL 174 Cb 0.10 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 2aqb h VAL 174 CO -0.02 0.13 0.59 -0.33 0.02 0.00 0.00 177.57 177.96 2aqb h GLU 175 N 0.73 1.22 -0.87 1.57 5.08 -1.15 -0.31 114.58 120.86 2aqb h GLU 175 Ca 0.27 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2aqb h GLU 175 Cb 0.08 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.02 2aqb h GLU 175 CO -0.13 0.83 0.47 1.96 -1.00 0.00 0.00 179.01 181.14 2aqb h GLN 176 N 1.26 1.21 0.03 2.33 1.08 -1.09 0.11 115.11 120.04 2aqb h GLN 176 Ca 0.33 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2aqb h GLN 176 Cb -0.11 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.08 2aqb h GLN 176 CO -0.07 0.89 -0.02 0.82 -0.95 0.00 0.00 178.83 179.51 2aqb h ILE 177 N 1.21 1.09 -0.91 2.54 5.03 -1.09 -1.51 117.51 123.87 2aqb h ILE 177 Ca 0.30 -0.37 0.05 0.00 -0.12 0.00 0.00 64.86 64.72 2aqb h ILE 177 Cb 0.04 1.34 -0.06 0.00 -3.03 0.00 0.00 36.82 35.11 2aqb h ILE 177 CO -0.05 0.10 0.59 1.56 -0.68 0.00 0.00 178.15 179.67 2aqb h GLN 178 N -0.21 1.05 0.00 2.37 4.20 -0.78 -0.20 115.11 121.55 2aqb h GLN 178 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2aqb h GLN 178 Cb 0.19 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.73 2aqb h GLN 178 CO 0.01 0.70 0.00 1.28 -0.67 0.00 0.00 178.83 180.14 2aqb n LEU 179 N -4.47 0.00 -0.20 1.46 4.77 0.00 -4.20 117.00 114.36 2aqb n LEU 179 Ca 0.13 0.39 -0.03 0.00 -0.03 0.00 0.00 56.01 56.47 2aqb n LEU 179 Cb 0.15 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 2aqb n LEU 179 CO 0.34 -0.12 -0.03 0.61 -1.33 0.00 0.00 177.39 176.86 2aqb n GLY 180 N 0.52 0.58 0.08 -0.72 0.00 -0.09 -4.93 105.19 100.63 2aqb n GLY 180 Ca 0.07 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 2aqb n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aqb h LYS 181 N 0.37 0.04 -5.00 1.61 1.57 -1.48 -3.47 116.57 110.21 2aqb h LYS 181 Ca -0.05 -0.06 -0.34 0.00 -1.87 0.00 0.00 60.65 58.32 2aqb h LYS 181 Cb 0.29 0.02 -0.20 0.00 0.08 0.00 0.00 32.23 32.43 2aqb h LYS 181 CO 0.08 0.81 -0.75 -0.65 -0.57 0.00 0.00 179.45 178.37 2aqb s GLN 182 N -2.65 0.77 -0.22 3.15 -1.52 -1.12 -4.78 119.66 113.28 2aqb s GLN 182 Ca -0.03 -1.01 0.04 0.00 -1.95 0.00 0.00 55.36 52.41 2aqb s GLN 182 Cb 0.09 -0.58 -0.20 0.00 -0.22 0.00 0.00 33.01 32.10 2aqb s GLN 182 CO 0.83 0.11 -0.07 -0.25 -0.25 0.00 0.00 175.29 175.65 2aqb n ASP 183 N 0.99 1.64 -3.97 5.90 8.00 0.19 -4.25 116.55 125.04 2aqb n ASP 183 Ca -0.19 -0.05 -0.21 0.00 0.71 0.00 0.00 54.79 55.05 2aqb n ASP 183 Cb 0.56 -0.23 -0.16 0.00 -0.02 0.00 0.00 41.12 41.27 2aqb n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2aqb s ILE 184 N -2.52 0.74 -0.09 0.53 1.01 -1.05 -1.00 121.20 118.81 2aqb s ILE 184 Ca -0.28 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.08 2aqb s ILE 184 Cb 0.08 -0.68 0.02 0.00 0.01 0.00 0.00 42.46 41.89 2aqb s ILE 184 CO 0.67 0.25 -0.08 -0.69 0.00 0.00 0.00 174.94 175.08 2aqb s VAL 185 N 0.45 0.96 -0.08 2.92 1.01 0.75 -1.07 120.40 125.34 2aqb s VAL 185 Ca -0.07 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 2aqb s VAL 185 Cb -0.11 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2aqb s VAL 185 CO 0.01 0.34 1.13 -0.36 0.00 0.00 0.00 175.10 176.22 2aqb s PHE 186 N 1.32 3.30 -0.03 5.22 0.40 -0.03 -0.92 117.98 127.23 2aqb s PHE 186 Ca -0.03 1.35 0.02 0.00 -0.60 0.00 0.00 56.93 57.67 2aqb s PHE 186 Cb -0.14 -3.34 0.01 0.00 0.51 0.00 0.00 43.02 40.06 2aqb s PHE 186 CO -0.03 -0.92 -0.07 0.00 0.70 0.00 0.00 175.22 174.90 2aqb s ALA 187 N 2.22 0.73 0.00 5.36 0.00 -0.56 -0.60 121.76 128.92 2aqb s ALA 187 Ca 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.28 2aqb s ALA 187 Cb -0.22 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.57 2aqb s ALA 187 CO 0.20 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.45 2aqb n GLY 188 N 3.54 -0.68 0.00 0.00 0.00 -1.01 -0.48 105.19 106.56 2aqb n GLY 188 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2aqb n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqb n GLY 189 N 0.00 -0.85 3.33 -0.02 0.00 -0.31 -2.90 105.19 104.44 2aqb n GLY 189 Ca 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 46.02 44.70 2aqb n GLY 189 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aqb s GLY 190 N 0.00 0.55 -0.18 -0.02 0.00 -0.96 -1.04 107.32 105.67 2aqb s GLY 190 Ca 0.00 -0.95 -0.10 0.00 0.00 0.00 0.00 44.72 43.67 2aqb s GLY 190 CO 0.00 -0.88 0.43 1.85 0.00 0.00 0.00 173.10 174.50 2aqb s GLU 191 N -3.98 0.42 0.66 2.90 2.56 0.47 -4.19 118.70 117.55 2aqb s GLU 191 Ca 0.19 0.79 -0.12 0.00 0.00 0.00 0.00 54.97 55.83 2aqb s GLU 191 Cb 0.03 0.01 -0.01 0.00 2.00 0.00 0.00 34.13 36.17 2aqb s GLU 191 CO 0.01 -0.15 1.05 -1.83 -0.56 0.00 0.00 175.26 173.78 2aqb s GLU 192 N 1.29 3.11 -0.18 4.30 -1.05 -1.26 -1.47 118.70 123.44 2aqb s GLU 192 Ca -0.09 0.96 0.01 0.00 -0.15 0.00 0.00 54.97 55.71 2aqb s GLU 192 Cb -0.08 -2.01 0.02 0.00 -0.44 0.00 0.00 34.13 31.63 2aqb s GLU 192 CO -0.12 -0.96 -0.18 -1.17 0.95 0.00 0.00 175.26 173.79 2aqb s LEU 193 N -5.30 2.11 -0.06 1.83 2.96 -1.26 -4.70 118.68 114.26 2aqb s LEU 193 Ca 0.58 -0.67 -0.30 0.00 -0.22 0.00 0.00 54.13 53.53 2aqb s LEU 193 Cb -0.14 -1.40 0.09 0.00 0.50 0.00 0.00 46.19 45.24 2aqb s LEU 193 CO 0.51 -0.03 0.76 0.00 -1.32 0.00 0.00 176.35 176.27 2aqb h TRP 195 N 2.78 0.29 -0.82 0.00 5.08 -1.97 -0.86 115.95 120.44 2aqb h TRP 195 Ca -0.25 -0.02 0.09 0.00 1.08 0.00 0.00 58.89 59.79 2aqb h TRP 195 Cb 1.16 -0.09 -0.07 0.00 -3.00 0.00 0.00 29.16 27.16 2aqb h TRP 195 CO 0.34 0.32 0.47 0.93 -1.28 0.00 0.00 178.44 179.22 2aqb h GLU 196 N 0.28 0.78 0.13 0.12 3.07 -1.96 0.39 114.58 117.40 2aqb h GLU 196 Ca 0.06 -0.05 -0.33 0.00 -0.50 0.00 0.00 59.36 58.55 2aqb h GLU 196 Cb 0.23 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 2aqb h GLU 196 CO 0.01 0.52 -1.75 1.98 -1.40 0.00 0.00 179.01 178.37 2aqb h MET 197 N 0.81 0.27 -0.80 2.33 -1.53 -1.90 -3.40 114.93 110.70 2aqb h MET 197 Ca 0.39 -0.46 0.04 0.00 -3.44 0.00 0.00 59.70 56.23 2aqb h MET 197 Cb 0.32 0.17 -0.05 0.00 -0.55 0.00 0.00 31.60 31.49 2aqb h MET 197 CO -0.23 1.22 0.50 0.00 0.14 0.00 0.00 176.91 178.53 2aqb h ALA 198 N 0.00 1.07 0.00 0.39 0.00 -0.88 -2.44 119.26 117.40 2aqb h ALA 198 Ca -0.37 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2aqb h ALA 198 Cb 1.93 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 2aqb h ALA 198 CO 0.08 0.27 -0.06 0.00 0.00 0.00 0.00 179.25 179.54 2aqb h GLU 200 N 0.00 0.37 -0.05 0.00 5.08 -1.65 0.41 114.58 118.74 2aqb h GLU 200 Ca -0.00 -0.22 -0.21 0.00 -1.00 0.00 0.00 59.36 57.92 2aqb h GLU 200 Cb 0.13 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2aqb h GLU 200 CO 0.01 0.81 -0.85 0.74 -1.00 0.00 0.00 179.01 178.72 2aqb h PHE 201 N 0.29 0.69 -0.35 4.33 -1.00 -1.42 -3.12 116.94 116.36 2aqb h PHE 201 Ca 0.01 -0.34 -0.11 0.00 2.81 0.00 0.00 57.97 60.34 2aqb h PHE 201 Cb 1.02 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.47 2aqb h PHE 201 CO 0.03 1.14 -0.25 0.22 -1.61 0.00 0.00 178.31 177.84 2aqb h ASP 202 N 0.31 0.70 0.24 2.17 1.82 -1.30 -1.07 116.42 119.30 2aqb h ASP 202 Ca -0.06 -0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 56.30 2aqb h ASP 202 Cb 1.46 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 41.27 2aqb h ASP 202 CO 0.15 0.93 -0.12 0.00 -1.61 0.00 0.00 179.24 178.59 2aqb h ALA 203 N 1.13 1.46 -0.26 -0.78 0.00 -0.89 -1.45 119.26 118.47 2aqb h ALA 203 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2aqb h ALA 203 Cb 0.74 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2aqb h ALA 203 CO 0.06 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2aqb n MET 204 N -3.91 2.30 -1.00 0.00 0.00 -1.11 -4.97 117.12 108.43 2aqb n MET 204 Ca -0.02 -1.94 -0.00 0.00 0.00 0.00 0.00 57.70 55.73 2aqb n MET 204 Cb 0.21 -1.48 -0.00 0.00 0.00 0.00 0.00 33.22 31.95 2aqb n MET 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2aqb n GLY 205 N 1.40 0.40 0.14 3.17 0.00 -0.55 -4.95 105.19 104.80 2aqb n GLY 205 Ca 0.18 -0.99 0.12 0.00 0.00 0.00 0.00 46.02 45.32 2aqb n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqb h ALA 206 N 0.00 0.83 -2.87 4.61 0.00 -1.41 -3.47 119.26 116.95 2aqb h ALA 206 Ca -0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 2aqb h ALA 206 Cb 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2aqb h ALA 206 CO 0.00 0.00 -0.46 -0.51 0.00 0.00 0.00 179.25 178.28 2aqb s LEU 207 N -5.24 4.34 -0.01 0.00 1.43 -1.25 -1.41 118.68 116.54 2aqb s LEU 207 Ca 0.06 0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 53.19 2aqb s LEU 207 Cb 0.09 -3.02 -0.06 0.00 0.03 0.00 0.00 46.19 43.23 2aqb s LEU 207 CO 0.68 0.15 1.50 -0.55 0.23 0.00 0.00 176.35 178.36 2aqb s SER 208 N -2.51 6.76 0.00 2.29 0.15 -0.46 -4.55 113.70 115.37 2aqb s SER 208 Ca 0.36 2.20 0.00 0.00 0.70 0.00 0.00 55.95 59.21 2aqb s SER 208 Cb -0.13 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2aqb s SER 208 CO 0.27 -0.80 0.00 0.35 1.20 0.00 0.00 173.24 174.26 2aqb n THR 209 N 4.90 0.00 0.71 6.45 -2.24 -1.26 -4.48 114.28 118.36 2aqb n THR 209 Ca 0.15 -0.22 0.13 0.00 -2.27 0.00 0.00 64.05 61.84 2aqb n THR 209 Cb 0.43 0.71 0.39 0.00 -2.10 0.00 0.00 70.33 69.76 2aqb n THR 209 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2aqb n LYS 210 N -1.24 0.20 -0.59 -0.78 5.02 -1.26 -4.27 118.16 115.25 2aqb n LYS 210 Ca 0.00 0.14 0.05 0.00 -2.02 0.00 0.00 58.31 56.48 2aqb n LYS 210 Cb 0.00 -1.71 0.20 0.00 -0.02 0.00 0.00 35.03 33.51 2aqb n LYS 210 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2aqb n TYR 211 N -2.04 0.15 -0.29 2.13 4.02 -1.26 -4.77 117.16 115.10 2aqb n TYR 211 Ca 0.05 -1.47 0.03 0.00 -0.01 0.00 0.00 57.90 56.50 2aqb n TYR 211 Cb 0.41 -0.27 0.24 0.00 -0.02 0.00 0.00 39.34 39.69 2aqb n TYR 211 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 2aqb h ASN 212 N 0.93 0.90 0.45 7.72 2.35 -1.92 -1.61 115.58 124.41 2aqb h ASN 212 Ca 0.03 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 2aqb h ASN 212 Cb 1.09 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.25 2aqb h ASN 212 CO 0.05 0.60 -0.21 0.44 -1.65 0.00 0.00 177.43 176.66 2aqb h ASP 213 N 1.04 0.00 -2.53 5.81 3.32 -1.95 -3.32 116.42 118.79 2aqb h ASP 213 Ca 0.36 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.81 2aqb h ASP 213 Cb 0.12 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.26 2aqb h ASP 213 CO -0.12 0.21 -0.75 0.35 -1.72 0.00 0.00 179.24 177.20 2aqb n THR 214 N -3.76 0.79 -0.11 0.35 -2.24 -0.61 -5.00 114.28 103.70 2aqb n THR 214 Ca -0.02 -4.48 0.10 0.00 -2.27 0.00 0.00 64.05 57.38 2aqb n THR 214 Cb 0.32 -2.01 0.46 0.00 -2.10 0.00 0.00 70.33 67.00 2aqb n THR 214 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2aqb h PRO 215 N 4.94 0.49 0.00 -0.78 0.11 -1.64 -2.08 132.00 133.04 2aqb h PRO 215 Ca 0.18 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2aqb h PRO 215 Cb 0.79 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2aqb h PRO 215 CO 0.63 0.32 0.00 0.39 -0.21 0.00 0.00 178.00 179.13 2aqb n GLU 216 N -4.48 0.04 -0.03 1.05 1.02 -1.26 -2.54 120.64 114.45 2aqb n GLU 216 Ca 0.10 0.18 0.08 0.00 -0.02 0.00 0.00 57.16 57.50 2aqb n GLU 216 Cb 0.33 -1.57 0.08 0.00 -0.02 0.00 0.00 31.44 30.26 2aqb n GLU 216 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2aqb n LYS 217 N -1.65 1.43 -0.04 3.49 4.76 -0.79 -4.64 118.16 120.72 2aqb n LYS 217 Ca 0.05 -1.56 -0.13 0.00 -2.87 0.00 0.00 58.31 53.79 2aqb n LYS 217 Cb 0.26 -1.32 -0.08 0.00 -1.84 0.00 0.00 35.03 32.04 2aqb n LYS 217 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2aqb h ALA 218 N 3.17 0.14 -2.10 7.82 0.00 -1.49 -3.41 119.26 123.39 2aqb h ALA 218 Ca 0.00 -0.32 -0.60 0.00 0.00 0.00 0.00 54.91 53.99 2aqb h ALA 218 Cb 0.70 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 2aqb h ALA 218 CO 0.00 0.00 0.53 0.45 0.00 0.00 0.00 179.25 180.23 2aqb s SER 219 N -6.04 6.67 -0.42 0.00 0.15 -1.26 -4.76 113.70 108.05 2aqb s SER 219 Ca -0.15 0.59 0.09 0.00 0.70 0.00 0.00 55.95 57.18 2aqb s SER 219 Cb 0.04 -2.44 0.32 0.00 -1.71 0.00 0.00 66.02 62.22 2aqb s SER 219 CO 0.73 -0.78 0.86 -2.11 1.20 0.00 0.00 173.24 173.14 2aqb n ARG 220 N 6.58 0.94 -1.67 5.44 1.85 -1.26 -4.54 116.66 124.00 2aqb n ARG 220 Ca 0.06 -2.69 -0.45 0.00 -1.00 0.00 0.00 57.85 53.77 2aqb n ARG 220 Cb 0.48 -1.39 -0.03 0.00 -1.05 0.00 0.00 32.46 30.47 2aqb n ARG 220 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2aqb n THR 221 N 0.55 0.46 -0.13 8.89 -1.04 -1.26 -1.47 114.28 120.28 2aqb n THR 221 Ca 0.16 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2aqb n THR 221 Cb 0.66 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.66 2aqb n THR 221 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2aqb n TYR 222 N 2.67 0.00 -2.44 -1.42 0.53 -1.26 -4.78 117.16 110.45 2aqb n TYR 222 Ca 0.14 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.63 2aqb n TYR 222 Cb 0.30 -0.06 -0.04 0.00 -1.03 0.00 0.00 39.34 38.51 2aqb n TYR 222 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 2aqb s ASP 223 N -3.75 7.05 0.41 7.72 2.15 -0.54 -0.96 116.67 128.75 2aqb s ASP 223 Ca 0.00 2.26 0.29 0.00 0.43 0.00 0.00 52.55 55.53 2aqb s ASP 223 Cb 0.00 -2.62 1.40 0.00 -0.30 0.00 0.00 42.92 41.40 2aqb s ASP 223 CO 0.00 -0.30 1.88 0.00 -0.17 0.00 0.00 175.17 176.58 2aqb h ALA 224 N 3.39 1.00 -0.19 3.66 0.00 -1.30 -2.72 119.26 123.10 2aqb h ALA 224 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2aqb h ALA 224 Cb 1.22 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2aqb h ALA 224 CO 0.65 0.00 -0.01 0.72 0.00 0.00 0.00 179.25 180.61 2aqb n HIS 225 N -2.57 0.68 -1.97 0.00 8.25 -1.26 -5.02 115.22 113.33 2aqb n HIS 225 Ca -0.00 -0.97 -0.38 0.00 -0.26 0.00 0.00 57.72 56.11 2aqb n HIS 225 Cb 0.15 -0.28 0.02 0.00 1.12 0.00 0.00 29.99 31.00 2aqb n HIS 225 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2aqb s ARG 226 N -2.88 3.42 -0.01 -0.41 1.70 -1.03 -4.97 118.95 114.77 2aqb s ARG 226 Ca 0.40 2.06 0.25 0.00 -0.47 0.00 0.00 55.73 57.97 2aqb s ARG 226 Cb 0.33 -2.35 0.43 0.00 -0.57 0.00 0.00 34.95 32.79 2aqb s ARG 226 CO 0.06 -0.91 1.17 -0.40 -1.08 0.00 0.00 175.30 174.15 2aqb n ASP 227 N -0.75 1.02 0.00 -2.89 5.75 -1.25 -4.61 116.55 113.82 2aqb n ASP 227 Ca 0.09 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 2aqb n ASP 227 Cb 0.46 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 2aqb n ASP 227 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2aqb n GLY 228 N 0.43 3.32 3.84 6.12 0.00 -0.71 -3.75 105.19 114.45 2aqb n GLY 228 Ca 0.06 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 2aqb n GLY 228 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2aqb s PHE 229 N -2.55 3.30 -0.29 1.61 -0.12 -0.50 -3.63 117.98 115.79 2aqb s PHE 229 Ca 0.00 1.30 -0.09 0.00 -0.05 0.00 0.00 56.93 58.09 2aqb s PHE 229 Cb 0.00 -2.87 -0.01 0.00 -0.63 0.00 0.00 43.02 39.51 2aqb s PHE 229 CO 0.00 -1.09 0.12 0.08 -0.05 0.00 0.00 175.22 174.28 2aqb s VAL 230 N -3.14 4.41 0.34 -2.49 1.01 -1.26 -1.36 120.40 117.91 2aqb s VAL 230 Ca 0.57 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.86 2aqb s VAL 230 Cb -0.13 -3.21 -0.10 0.00 0.00 0.00 0.00 36.38 32.94 2aqb s VAL 230 CO 0.54 0.14 1.33 -0.51 0.00 0.00 0.00 175.10 176.60 2aqb s ILE 231 N 1.59 2.61 0.21 2.22 2.07 -1.26 0.97 121.20 129.61 2aqb s ILE 231 Ca 0.05 0.61 0.00 0.00 -1.41 0.00 0.00 60.65 59.90 2aqb s ILE 231 Cb -0.17 -3.39 -0.05 0.00 0.13 0.00 0.00 42.46 38.99 2aqb s ILE 231 CO 0.05 0.15 0.09 0.00 -1.91 0.00 0.00 174.94 173.31 2aqb s ALA 232 N -1.14 1.38 0.24 1.50 0.00 0.31 -0.23 121.76 123.83 2aqb s ALA 232 Ca 0.50 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.75 2aqb s ALA 232 Cb -0.41 1.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.72 2aqb s ALA 232 CO 0.54 -0.48 0.06 0.20 0.00 0.00 0.00 175.76 176.08 2aqb s GLY 233 N -3.21 1.64 0.00 0.00 0.00 -0.86 -4.16 107.32 100.73 2aqb s GLY 233 Ca 0.34 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.25 2aqb s GLY 233 CO 0.10 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.20 2aqb n GLY 234 N -0.43 0.47 3.49 0.20 0.00 -0.55 -4.36 105.19 104.02 2aqb n GLY 234 Ca -0.02 -1.74 -0.10 0.00 0.00 0.00 0.00 46.02 44.16 2aqb n GLY 234 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2aqb s GLY 235 N 0.00 0.83 0.01 -0.02 0.00 0.37 -0.39 107.32 108.11 2aqb s GLY 235 Ca 0.00 -1.12 -0.29 0.00 0.00 0.00 0.00 44.72 43.31 2aqb s GLY 235 CO 0.00 -0.83 0.66 -0.32 0.00 0.00 0.00 173.10 172.60 2aqb s GLY 236 N -3.07 -0.59 -0.12 0.20 0.00 -0.21 -1.81 107.32 101.72 2aqb s GLY 236 Ca 0.27 1.09 -0.10 0.00 0.00 0.00 0.00 44.72 45.98 2aqb s GLY 236 CO 0.11 0.74 0.32 -0.29 0.00 0.00 0.00 173.10 173.97 2aqb s MET 237 N -1.88 0.35 0.15 2.90 1.75 -0.43 -1.16 119.30 120.98 2aqb s MET 237 Ca -0.08 0.49 0.10 0.00 -1.25 0.00 0.00 55.69 54.95 2aqb s MET 237 Cb -0.00 0.12 -0.04 0.00 2.84 0.00 0.00 34.83 37.75 2aqb s MET 237 CO 0.04 -0.07 -0.23 0.14 -0.65 0.00 0.00 175.02 174.25 2aqb s VAL 238 N 0.44 2.05 -0.43 10.11 -7.23 0.37 -0.94 120.40 124.77 2aqb s VAL 238 Ca -0.02 -1.83 -0.20 0.00 -1.81 0.00 0.00 61.98 58.12 2aqb s VAL 238 Cb -0.04 -1.89 0.02 0.00 0.56 0.00 0.00 36.38 35.03 2aqb s VAL 238 CO -0.02 -0.10 0.58 -0.69 -0.31 0.00 0.00 175.10 174.56 2aqb s VAL 239 N -1.50 4.90 -0.23 1.32 1.01 0.21 -1.49 120.40 124.62 2aqb s VAL 239 Ca 0.15 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.97 2aqb s VAL 239 Cb -0.08 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 2aqb s VAL 239 CO 0.07 -0.54 0.34 -0.69 0.00 0.00 0.00 175.10 174.28 2aqb s VAL 240 N 2.62 5.22 0.00 2.92 1.01 -0.10 -1.45 120.40 130.64 2aqb s VAL 240 Ca 0.20 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.75 2aqb s VAL 240 Cb -0.15 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2aqb s VAL 240 CO 0.17 0.24 -0.03 -0.70 0.00 0.00 0.00 175.10 174.78 2aqb s GLU 241 N 1.48 0.27 0.35 2.72 2.12 -0.09 -0.18 118.70 125.37 2aqb s GLU 241 Ca 0.16 -0.22 -0.28 0.00 0.36 0.00 0.00 54.97 54.98 2aqb s GLU 241 Cb -0.15 -0.20 -0.11 0.00 0.26 0.00 0.00 34.13 33.94 2aqb s GLU 241 CO 0.08 0.05 1.38 -2.00 -0.54 0.00 0.00 175.26 174.23 2aqb s GLU 242 N -0.36 4.25 0.10 4.30 -6.30 -0.17 -0.31 118.70 120.21 2aqb s GLU 242 Ca -0.02 2.37 -0.27 0.00 -2.50 0.00 0.00 54.97 54.55 2aqb s GLU 242 Cb -0.03 -3.03 -0.10 0.00 0.00 0.00 0.00 34.13 30.97 2aqb s GLU 242 CO -0.00 -0.34 1.65 1.25 0.02 0.00 0.00 175.26 177.84 2aqb h LEU 243 N 3.24 -0.64 -1.01 2.70 5.85 -1.55 -1.04 115.31 122.85 2aqb h LEU 243 Ca -0.50 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.26 2aqb h LEU 243 Cb 1.23 0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.47 2aqb h LEU 243 CO 0.65 -0.33 0.28 -0.33 -0.34 0.00 0.00 178.44 178.37 2aqb h GLU 244 N -0.46 0.99 -0.76 1.25 4.39 -1.93 -0.98 114.58 117.09 2aqb h GLU 244 Ca 0.02 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 2aqb h GLU 244 Cb 0.46 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2aqb h GLU 244 CO -0.10 0.80 0.28 1.25 -1.16 0.00 0.00 179.01 180.08 2aqb h HIS 245 N 0.98 1.18 -0.23 4.33 2.76 -1.89 -0.75 115.15 121.53 2aqb h HIS 245 Ca 0.23 -0.10 -0.08 0.00 -2.20 0.00 0.00 60.37 58.22 2aqb h HIS 245 Cb 0.17 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.77 2aqb h HIS 245 CO 0.01 0.91 -0.17 0.00 -1.30 0.00 0.00 177.93 177.38 2aqb h ALA 246 N 1.14 0.33 -0.43 5.26 0.00 -0.41 -3.08 119.26 122.07 2aqb h ALA 246 Ca 0.25 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2aqb h ALA 246 Cb 0.25 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2aqb h ALA 246 CO -0.02 0.24 -0.02 -0.07 0.00 0.00 0.00 179.25 179.39 2aqb h LEU 247 N 0.23 0.76 -1.81 0.00 3.38 -1.18 -1.93 115.31 114.77 2aqb h LEU 247 Ca 0.04 -0.32 0.09 0.00 0.09 0.00 0.00 57.88 57.78 2aqb h LEU 247 Cb 0.70 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2aqb h LEU 247 CO 0.05 0.90 0.31 0.00 0.09 0.00 0.00 178.44 179.78 2aqb h ALA 248 N 0.89 2.13 -0.53 1.53 0.00 -1.11 -1.97 119.26 120.21 2aqb h ALA 248 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2aqb h ALA 248 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2aqb h ALA 248 CO 0.03 -0.23 0.00 2.89 0.00 0.00 0.00 179.25 181.93 2aqb n ARG 249 N -4.46 2.59 -2.34 0.00 1.85 -1.17 -4.96 116.66 108.17 2aqb n ARG 249 Ca 0.07 -2.43 -0.11 0.00 -1.00 0.00 0.00 57.85 54.38 2aqb n ARG 249 Cb 0.36 -1.54 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 2aqb n ARG 249 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2aqb n GLY 250 N 1.58 -0.04 3.77 2.89 0.00 -0.74 -5.00 105.19 107.65 2aqb n GLY 250 Ca 0.22 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2aqb n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqb s ALA 251 N -2.63 2.90 -0.45 4.61 0.00 -0.73 -4.99 121.76 120.47 2aqb s ALA 251 Ca 0.05 0.93 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 2aqb s ALA 251 Cb -0.02 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.74 2aqb s ALA 251 CO 0.06 -0.72 1.08 -1.58 0.00 0.00 0.00 175.76 174.59 2aqb s HIS 252 N -1.58 2.89 -0.22 0.00 5.65 -1.26 -4.83 115.29 115.95 2aqb s HIS 252 Ca 0.66 0.72 -0.19 0.00 0.25 0.00 0.00 55.06 56.50 2aqb s HIS 252 Cb -0.28 -4.21 -0.03 0.00 -1.18 0.00 0.00 32.58 26.88 2aqb s HIS 252 CO 0.34 -1.15 0.53 0.42 -0.65 0.00 0.00 174.74 174.23 2aqb s ILE 253 N 4.17 5.08 -0.08 0.89 1.01 -1.26 -4.45 121.20 126.56 2aqb s ILE 253 Ca 0.45 0.97 -0.27 0.00 0.00 0.00 0.00 60.65 61.80 2aqb s ILE 253 Cb -0.09 -3.85 -0.24 0.00 0.01 0.00 0.00 42.46 38.30 2aqb s ILE 253 CO 0.28 0.14 0.99 1.88 0.00 0.00 0.00 174.94 178.24 2aqb h TYR 254 N 7.61 0.08 -2.14 3.97 0.05 -1.30 -3.48 116.97 121.75 2aqb h TYR 254 Ca -0.32 -0.04 0.13 0.00 0.05 0.00 0.00 58.73 58.55 2aqb h TYR 254 Cb 1.15 -0.01 -0.16 0.00 1.01 0.00 0.00 36.73 38.72 2aqb h TYR 254 CO 0.72 0.83 0.55 0.00 -1.05 0.00 0.00 178.16 179.21 2aqb s ALA 255 N -3.09 -1.86 0.13 3.88 0.00 -1.25 -4.69 121.76 114.88 2aqb s ALA 255 Ca -0.17 1.11 -0.15 0.00 0.00 0.00 0.00 51.96 52.75 2aqb s ALA 255 Cb -0.00 0.32 -0.07 0.00 0.00 0.00 0.00 23.12 23.37 2aqb s ALA 255 CO 0.70 -0.67 0.55 -2.00 0.00 0.00 0.00 175.76 174.34 2aqb s GLU 256 N -2.99 4.01 -0.60 0.00 2.12 0.28 -0.49 118.70 121.04 2aqb s GLU 256 Ca 0.06 0.52 -0.24 0.00 0.36 0.00 0.00 54.97 55.66 2aqb s GLU 256 Cb -0.01 -2.98 0.05 0.00 0.26 0.00 0.00 34.13 31.44 2aqb s GLU 256 CO -0.08 0.51 1.00 0.42 -0.54 0.00 0.00 175.26 176.57 2aqb s ILE 257 N -1.40 4.27 -0.90 -3.70 -1.09 0.21 -1.04 121.20 117.54 2aqb s ILE 257 Ca 0.36 0.20 0.21 0.00 -2.23 0.00 0.00 60.65 59.20 2aqb s ILE 257 Cb -0.16 -4.63 -0.21 0.00 -1.58 0.00 0.00 42.46 35.88 2aqb s ILE 257 CO 0.19 -1.29 0.91 1.33 -1.23 0.00 0.00 174.94 174.85 2aqb n VAL 258 N 6.19 0.01 -3.76 2.92 0.24 -0.27 -4.58 118.33 119.08 2aqb n VAL 258 Ca 0.01 -0.05 -0.13 0.00 -2.04 0.00 0.00 64.34 62.13 2aqb n VAL 258 Cb 0.47 0.82 -0.11 0.00 -1.47 0.00 0.00 33.84 33.56 2aqb n VAL 258 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2aqb s GLY 259 N -3.15 -0.24 -0.15 7.63 0.00 -1.00 -4.83 107.32 105.58 2aqb s GLY 259 Ca 0.07 0.91 -0.04 0.00 0.00 0.00 0.00 44.72 45.66 2aqb s GLY 259 CO 0.86 0.79 0.19 -0.47 0.00 0.00 0.00 173.10 174.47 2aqb s TYR 260 N 0.19 -0.22 -0.11 1.90 5.04 -1.26 -1.08 117.35 121.81 2aqb s TYR 260 Ca -0.00 0.41 -0.02 0.00 -2.44 0.00 0.00 57.07 55.03 2aqb s TYR 260 Cb -0.02 -0.31 -0.03 0.00 0.35 0.00 0.00 41.96 41.95 2aqb s TYR 260 CO 0.00 -0.44 -0.05 0.20 -1.34 0.00 0.00 175.55 173.92 2aqb s GLY 261 N 2.31 1.72 -0.15 8.97 0.00 0.06 -4.43 107.32 115.79 2aqb s GLY 261 Ca 0.04 -0.85 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 2aqb s GLY 261 CO -0.09 -0.36 0.08 0.00 0.00 0.00 0.00 173.10 172.73 2aqb s ALA 262 N -0.23 0.47 0.34 3.20 0.00 -1.26 -1.01 121.76 123.26 2aqb s ALA 262 Ca 0.04 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.77 2aqb s ALA 262 Cb -0.13 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 2aqb s ALA 262 CO 0.02 -1.07 0.20 0.95 0.00 0.00 0.00 175.76 175.87 2aqb s THR 263 N 2.11 0.23 -0.00 0.00 -4.23 -0.73 -5.01 115.64 108.01 2aqb s THR 263 Ca 0.02 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 2aqb s THR 263 Cb -0.16 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 2aqb s THR 263 CO -0.08 0.00 -0.08 -0.55 -0.54 0.00 0.00 174.62 173.37 2aqb s SER 264 N -3.42 0.92 -0.03 3.99 0.15 -1.26 -1.27 113.70 112.78 2aqb s SER 264 Ca 0.35 -0.15 -0.25 0.00 0.70 0.00 0.00 55.95 56.60 2aqb s SER 264 Cb 0.03 -0.10 -0.20 0.00 -1.71 0.00 0.00 66.02 64.04 2aqb s SER 264 CO 0.21 0.09 1.18 0.44 1.20 0.00 0.00 173.24 176.36 2aqb h ASP 265 N 5.91 0.12 -5.21 5.45 3.32 -1.26 -3.44 116.42 121.31 2aqb h ASP 265 Ca -0.30 -0.60 -0.41 0.00 0.02 0.00 0.00 57.03 55.75 2aqb h ASP 265 Cb 1.18 -0.03 0.10 0.00 0.22 0.00 0.00 39.33 40.80 2aqb h ASP 265 CO 0.50 0.69 -0.65 0.61 -1.72 0.00 0.00 179.24 178.67 2aqb n GLY 266 N 0.52 -0.54 0.23 2.75 0.00 -1.26 -4.87 105.19 102.02 2aqb n GLY 266 Ca -0.08 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2aqb n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aqb n ALA 267 N -4.32 2.15 -2.46 4.61 0.00 -1.26 -5.14 120.51 114.08 2aqb n ALA 267 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.14 2aqb n ALA 267 Cb 0.59 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.92 2aqb n ALA 267 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2aqb s ASP 268 N 0.20 2.93 -0.01 0.00 1.01 -1.26 -5.09 116.67 114.45 2aqb s ASP 268 Ca 0.00 -0.76 -0.23 0.00 0.71 0.00 0.00 52.55 52.26 2aqb s ASP 268 Cb 0.00 -0.18 -0.16 0.00 1.01 0.00 0.00 42.92 43.59 2aqb s ASP 268 CO 0.00 0.09 1.07 0.24 0.21 0.00 0.00 175.17 176.78 2aqb h MET 269 N 3.74 -0.35 0.00 8.23 2.86 -2.01 -3.39 114.93 124.01 2aqb h MET 269 Ca -0.47 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 2aqb h MET 269 Cb 1.19 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.93 2aqb h MET 269 CO 0.43 0.00 -0.60 1.33 1.06 0.00 0.00 176.91 179.13 2aqb n VAL 270 N -5.06 0.00 -3.88 -2.22 0.24 -1.26 -1.09 118.33 105.05 2aqb n VAL 270 Ca -0.09 -0.20 -0.36 0.00 -2.04 0.00 0.00 64.34 61.65 2aqb n VAL 270 Cb 0.26 0.99 -0.11 0.00 -1.47 0.00 0.00 33.84 33.52 2aqb n VAL 270 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2aqb s ALA 271 N -2.19 3.28 0.25 2.33 0.00 -1.26 -4.96 121.76 119.21 2aqb s ALA 271 Ca 0.05 -0.96 -0.30 0.00 0.00 0.00 0.00 51.96 50.75 2aqb s ALA 271 Cb 0.09 -2.02 -0.09 0.00 0.00 0.00 0.00 23.12 21.10 2aqb s ALA 271 CO 0.52 -0.19 1.31 -1.25 0.00 0.00 0.00 175.76 176.15 2aqb s PRO 272 N 1.06 4.38 0.20 0.00 0.04 -1.26 -4.37 135.00 135.06 2aqb s PRO 272 Ca 0.04 2.11 0.01 0.00 0.04 0.00 0.00 61.00 63.21 2aqb s PRO 272 Cb -0.14 -3.15 0.14 0.00 0.04 0.00 0.00 34.50 31.40 2aqb s PRO 272 CO 0.03 -0.22 1.49 0.66 0.04 0.00 0.00 177.00 179.01 2aqb h SER 273 N 4.64 0.39 0.00 6.66 4.64 -1.96 -3.48 113.55 124.44 2aqb h SER 273 Ca -0.46 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 2aqb h SER 273 Cb 1.22 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2aqb h SER 273 CO 0.73 0.94 0.00 0.61 -0.87 0.00 0.00 176.83 178.24 2aqb n GLY 274 N 0.41 2.76 0.35 -0.77 0.00 -1.26 -4.81 105.19 101.87 2aqb n GLY 274 Ca -0.03 -0.69 -0.05 0.00 0.00 0.00 0.00 46.02 45.25 2aqb n GLY 274 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2aqb h GLU 275 N 0.00 1.19 -0.58 1.61 4.81 -1.92 -1.95 114.58 117.73 2aqb h GLU 275 Ca 0.00 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.01 2aqb h GLU 275 Cb 0.00 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.14 2aqb h GLU 275 CO 0.00 0.93 0.21 0.78 -0.73 0.00 0.00 179.01 180.19 2aqb h GLY 276 N 1.18 0.92 0.89 1.92 0.00 -1.87 -0.93 103.07 105.18 2aqb h GLY 276 Ca 0.28 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 2aqb h GLY 276 CO -0.03 0.46 -0.01 0.00 0.00 0.00 0.00 176.54 176.96 2aqb h ALA 277 N 1.39 0.41 0.05 3.60 0.00 -1.88 -1.45 119.26 121.37 2aqb h ALA 277 Ca 0.20 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2aqb h ALA 277 Cb 0.20 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2aqb h ALA 277 CO -0.01 0.17 -0.32 0.28 0.00 0.00 0.00 179.25 179.36 2aqb h VAL 278 N 0.33 0.31 -0.97 0.00 2.07 -1.05 -0.57 116.25 116.36 2aqb h VAL 278 Ca 0.09 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 2aqb h VAL 278 Cb 0.45 0.31 -0.07 0.00 -1.52 0.00 0.00 31.29 30.46 2aqb h VAL 278 CO 0.02 0.00 0.62 0.03 0.02 0.00 0.00 177.57 178.26 2aqb h ARG 279 N -0.50 1.10 -0.27 1.57 3.08 -1.15 -1.07 114.38 117.14 2aqb h ARG 279 Ca 0.05 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2aqb h ARG 279 Cb 0.57 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2aqb h ARG 279 CO -0.24 0.73 0.01 0.00 -1.07 0.00 0.00 179.97 179.41 2aqb h MET 281 N 0.25 0.79 -0.83 0.00 2.86 -0.91 -2.15 114.93 114.94 2aqb h MET 281 Ca 0.08 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 2aqb h MET 281 Cb 0.40 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 2aqb h MET 281 CO 0.01 0.76 0.41 0.87 1.06 0.00 0.00 176.91 180.03 2aqb h LYS 282 N 0.67 1.19 -0.76 1.72 1.57 -1.15 -1.59 116.57 118.22 2aqb h LYS 282 Ca 0.15 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2aqb h LYS 282 Cb 0.33 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2aqb h LYS 282 CO 0.00 0.90 0.36 1.98 -0.57 0.00 0.00 179.45 182.12 2aqb h MET 283 N 1.18 1.10 -0.01 3.15 4.05 -0.96 -1.74 114.93 121.70 2aqb h MET 283 Ca 0.29 -0.17 -0.11 0.00 -0.28 0.00 0.00 59.70 59.43 2aqb h MET 283 Cb 0.09 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.68 2aqb h MET 283 CO -0.04 0.86 -0.51 0.00 0.23 0.00 0.00 176.91 177.45 2aqb h ALA 284 N 1.18 1.13 0.00 0.39 0.00 -1.08 -3.20 119.26 117.69 2aqb h ALA 284 Ca 0.26 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2aqb h ALA 284 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2aqb h ALA 284 CO -0.03 0.65 -0.57 0.52 0.00 0.00 0.00 179.25 179.82 2aqb h MET 285 N 0.02 0.00 -6.36 0.00 2.07 -1.05 -3.37 114.93 106.24 2aqb h MET 285 Ca -0.00 0.00 -0.60 0.00 -2.07 0.00 0.00 59.70 57.03 2aqb h MET 285 Cb 0.92 0.00 0.03 0.00 -1.87 0.00 0.00 31.60 30.68 2aqb h MET 285 CO 0.07 0.00 1.02 1.58 1.07 0.00 0.00 176.91 180.65 2aqb n HIS 286 N -2.43 2.34 -0.97 -0.22 -0.00 -0.68 -1.40 115.22 111.86 2aqb n HIS 286 Ca 0.03 0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2aqb n HIS 286 Cb 0.48 -2.64 0.00 0.00 -0.12 0.00 0.00 29.99 27.71 2aqb n HIS 286 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2aqb n GLY 287 N 4.12 0.90 3.60 1.57 0.00 -1.26 -4.99 105.19 109.12 2aqb n GLY 287 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 2aqb n GLY 287 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aqb s VAL 288 N -3.66 4.51 -1.36 1.61 1.01 -0.49 -4.94 120.40 117.08 2aqb s VAL 288 Ca 0.00 1.16 0.09 0.00 0.00 0.00 0.00 61.98 63.23 2aqb s VAL 288 Cb 0.00 -4.40 0.36 0.00 0.00 0.00 0.00 36.38 32.35 2aqb s VAL 288 CO 0.00 -0.65 1.20 -0.90 0.00 0.00 0.00 175.10 174.75 2aqb n ASP 289 N 7.00 2.62 -4.33 3.32 5.75 -1.26 -4.82 116.55 124.82 2aqb n ASP 289 Ca 0.08 -2.22 -0.22 0.00 -0.01 0.00 0.00 54.79 52.43 2aqb n ASP 289 Cb 0.48 -0.41 -0.11 0.00 -1.03 0.00 0.00 41.12 40.05 2aqb n ASP 289 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2aqb s THR 290 N -1.68 1.80 0.61 2.12 -4.23 -1.26 -5.15 115.64 107.86 2aqb s THR 290 Ca 0.26 -1.90 -0.15 0.00 -1.18 0.00 0.00 61.69 58.72 2aqb s THR 290 Cb 0.16 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 2aqb s THR 290 CO 0.13 -0.31 1.07 -2.16 -0.54 0.00 0.00 174.62 172.81 2aqb s PRO 291 N -2.76 3.16 -0.28 3.99 0.04 -1.26 -4.99 135.00 132.90 2aqb s PRO 291 Ca 0.15 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.16 2aqb s PRO 291 Cb -0.06 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.47 2aqb s PRO 291 CO 0.06 -0.94 1.28 0.42 0.04 0.00 0.00 177.00 177.86 2aqb s ILE 292 N -2.42 4.19 -0.03 0.56 -1.09 -1.26 -4.51 121.20 116.63 2aqb s ILE 292 Ca 0.65 1.36 -0.13 0.00 -2.23 0.00 0.00 60.65 60.29 2aqb s ILE 292 Cb -0.17 -4.15 -0.32 0.00 -1.58 0.00 0.00 42.46 36.24 2aqb s ILE 292 CO 0.38 -0.42 0.77 0.44 -1.23 0.00 0.00 174.94 174.88 2aqb h ASP 293 N 9.06 0.68 -3.75 3.58 3.32 -1.55 -3.40 116.42 124.36 2aqb h ASP 293 Ca -0.26 -0.93 -0.25 0.00 0.02 0.00 0.00 57.03 55.61 2aqb h ASP 293 Cb 1.10 -0.22 -0.28 0.00 0.22 0.00 0.00 39.33 40.14 2aqb h ASP 293 CO 1.02 1.75 -0.73 -0.47 -1.72 0.00 0.00 179.24 179.10 2aqb s TYR 294 N -2.58 0.10 -0.20 4.55 5.04 -1.19 -1.99 117.35 121.09 2aqb s TYR 294 Ca -0.14 -0.01 0.01 0.00 -2.44 0.00 0.00 57.07 54.49 2aqb s TYR 294 Cb 0.05 -0.08 0.03 0.00 0.35 0.00 0.00 41.96 42.31 2aqb s TYR 294 CO 0.88 -0.01 -0.18 -1.17 -1.34 0.00 0.00 175.55 173.73 2aqb s LEU 295 N 0.05 2.45 -0.49 6.97 0.20 0.44 -0.80 118.68 127.50 2aqb s LEU 295 Ca -0.00 -0.83 -0.24 0.00 0.69 0.00 0.00 54.13 53.74 2aqb s LEU 295 Cb -0.01 -1.50 0.03 0.00 -0.43 0.00 0.00 46.19 44.28 2aqb s LEU 295 CO -0.00 -0.05 0.89 0.21 -0.29 0.00 0.00 176.35 177.11 2aqb s ASN 296 N 1.25 6.42 0.49 3.68 3.84 0.17 -2.95 114.94 127.84 2aqb s ASN 296 Ca 0.02 -0.11 -0.17 0.00 0.21 0.00 0.00 52.86 52.80 2aqb s ASN 296 Cb -0.15 -2.43 -0.09 0.00 -0.55 0.00 0.00 41.25 38.04 2aqb s ASN 296 CO -0.11 -1.07 0.97 -0.94 -2.79 0.00 0.00 177.10 173.16 2aqb s SER 297 N 2.42 6.70 0.09 -4.21 1.04 -1.09 -1.57 113.70 117.07 2aqb s SER 297 Ca 0.33 1.59 -0.25 0.00 0.48 0.00 0.00 55.95 58.09 2aqb s SER 297 Cb -0.11 -2.51 -0.15 0.00 0.10 0.00 0.00 66.02 63.34 2aqb s SER 297 CO 0.23 -0.53 1.71 -0.74 0.98 0.00 0.00 173.24 174.89 2aqb h HIS 298 N 1.16 -0.22 -2.08 5.02 2.76 -1.91 -3.43 115.15 116.46 2aqb h HIS 298 Ca -0.47 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.67 2aqb h HIS 298 Cb 1.18 0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2aqb h HIS 298 CO 0.63 -0.13 -0.08 0.41 -1.30 0.00 0.00 177.93 177.46 2aqb n GLY 299 N -1.19 0.01 0.03 5.26 0.00 -1.26 -4.89 105.19 103.15 2aqb n GLY 299 Ca -0.08 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2aqb n GLY 299 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2aqb n THR 300 N 0.13 0.00 -1.61 2.61 -2.24 -1.26 -4.56 114.28 107.34 2aqb n THR 300 Ca -0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2aqb n THR 300 Cb 0.04 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2aqb n THR 300 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2aqb n SER 301 N -1.37 -0.89 -4.89 3.42 2.88 -1.26 -3.83 113.62 107.68 2aqb n SER 301 Ca 0.07 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.28 2aqb n SER 301 Cb 0.33 -0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 63.36 2aqb n SER 301 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2aqb s THR 302 N -2.11 5.29 0.18 2.46 -4.23 -1.26 -1.74 115.64 114.23 2aqb s THR 302 Ca 0.00 0.04 -0.15 0.00 -1.18 0.00 0.00 61.69 60.40 2aqb s THR 302 Cb 0.00 -3.59 0.11 0.00 1.34 0.00 0.00 72.50 70.37 2aqb s THR 302 CO 0.00 0.26 1.68 -0.65 -0.54 0.00 0.00 174.62 175.37 2aqb h PRO 303 N 3.60 0.07 0.07 3.99 0.11 -1.93 -3.02 132.00 134.89 2aqb h PRO 303 Ca -0.48 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.38 2aqb h PRO 303 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2aqb h PRO 303 CO 0.69 0.05 -1.30 0.28 -0.21 0.00 0.00 178.00 177.51 2aqb h VAL 304 N 0.07 1.03 -0.54 3.15 2.07 -1.98 -3.38 116.25 116.66 2aqb h VAL 304 Ca 0.22 -2.33 0.08 0.00 0.82 0.00 0.00 66.70 65.50 2aqb h VAL 304 Cb 0.34 2.61 -0.07 0.00 -1.52 0.00 0.00 31.29 32.66 2aqb h VAL 304 CO -0.41 0.60 0.18 1.23 0.02 0.00 0.00 177.57 179.19 2aqb h GLY 305 N -0.23 0.72 0.77 2.17 0.00 -1.96 -2.56 103.07 101.98 2aqb h GLY 305 Ca -0.30 -0.09 0.04 0.00 0.00 0.00 0.00 47.33 46.98 2aqb h GLY 305 CO -0.02 -0.02 0.20 -0.55 0.00 0.00 0.00 176.54 176.15 2aqb h ASP 306 N 0.35 0.28 1.17 0.19 5.19 -1.71 -2.02 116.42 119.87 2aqb h ASP 306 Ca 0.27 0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.54 2aqb h ASP 306 Cb 0.32 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 2aqb h ASP 306 CO -0.29 0.21 -0.75 -0.37 -3.12 0.00 0.00 179.24 174.91 2aqb h VAL 307 N 0.41 1.33 -0.69 -1.35 -1.51 -1.71 -1.74 116.25 110.99 2aqb h VAL 307 Ca 0.18 -2.79 -0.03 0.00 -1.23 0.00 0.00 66.70 62.83 2aqb h VAL 307 Cb 0.10 2.60 -0.03 0.00 -2.13 0.00 0.00 31.29 31.83 2aqb h VAL 307 CO -0.14 0.74 0.33 0.11 -1.23 0.00 0.00 177.57 177.39 2aqb h LYS 308 N 0.00 1.00 -0.36 5.19 1.79 -1.27 -0.35 116.57 122.57 2aqb h LYS 308 Ca -0.01 -0.15 -0.16 0.00 -2.18 0.00 0.00 60.65 58.16 2aqb h LYS 308 Cb 1.54 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 32.01 2aqb h LYS 308 CO 0.10 0.79 -0.39 1.49 -1.08 0.00 0.00 179.45 180.36 2aqb h GLU 309 N 0.96 0.87 -0.68 3.15 4.81 -1.26 -2.20 114.58 120.23 2aqb h GLU 309 Ca 0.24 -0.46 -0.02 0.00 -0.13 0.00 0.00 59.36 58.99 2aqb h GLU 309 Cb 0.12 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 2aqb h GLU 309 CO -0.03 1.10 0.35 -0.07 -0.73 0.00 0.00 179.01 179.63 2aqb h LEU 310 N 0.71 0.87 -0.64 1.64 3.38 -1.17 0.17 115.31 120.29 2aqb h LEU 310 Ca 0.06 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2aqb h LEU 310 Cb 0.97 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2aqb h LEU 310 CO 0.09 0.74 0.22 0.00 0.09 0.00 0.00 178.44 179.58 2aqb h ALA 311 N 1.17 0.83 -0.71 1.53 0.00 -1.05 -1.10 119.26 119.93 2aqb h ALA 311 Ca 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2aqb h ALA 311 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2aqb h ALA 311 CO -0.03 0.48 0.41 0.00 0.00 0.00 0.00 179.25 180.11 2aqb h ALA 312 N 1.08 0.91 -0.20 0.00 0.00 -1.03 -1.44 119.26 118.58 2aqb h ALA 312 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2aqb h ALA 312 Cb 0.26 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2aqb h ALA 312 CO -0.01 0.40 0.12 0.82 0.00 0.00 0.00 179.25 180.58 2aqb h ILE 313 N 0.97 1.04 -0.54 0.00 5.03 -0.30 -1.40 117.51 122.30 2aqb h ILE 313 Ca 0.25 -0.09 -0.03 0.00 -0.12 0.00 0.00 64.86 64.88 2aqb h ILE 313 Cb 0.00 0.76 -0.03 0.00 -3.03 0.00 0.00 36.82 34.53 2aqb h ILE 313 CO -0.04 0.05 0.22 -0.09 -0.68 0.00 0.00 178.15 177.61 2aqb h ARG 314 N 0.25 0.78 -0.63 2.37 2.43 -1.08 -0.72 114.38 117.78 2aqb h ARG 314 Ca 0.08 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 2aqb h ARG 314 Cb -0.02 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2aqb h ARG 314 CO -0.03 0.64 0.05 1.49 -1.51 0.00 0.00 179.97 180.61 2aqb h GLU 315 N 0.78 1.08 -0.04 0.20 4.57 -1.01 0.25 114.58 120.40 2aqb h GLU 315 Ca 0.19 -0.32 -0.02 0.00 -1.18 0.00 0.00 59.36 58.02 2aqb h GLU 315 Cb 0.14 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2aqb h GLU 315 CO -0.02 1.03 -0.07 0.28 -1.18 0.00 0.00 179.01 179.05 2aqb h VAL 316 N 0.99 1.42 0.00 0.32 2.07 -0.78 -3.36 116.25 116.91 2aqb h VAL 316 Ca 0.18 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2aqb h VAL 316 Cb 0.51 2.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2aqb h VAL 316 CO 0.02 0.37 -1.25 0.49 0.02 0.00 0.00 177.57 177.22 2aqb n PHE 317 N -4.72 0.00 0.00 1.57 3.01 -0.32 -5.05 117.46 111.96 2aqb n PHE 317 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 2aqb n PHE 317 Cb 0.32 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 2aqb n PHE 317 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2aqb n GLY 318 N 1.43 3.81 0.66 1.37 0.00 0.87 -1.34 105.19 112.00 2aqb n GLY 318 Ca 0.02 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.10 2aqb n GLY 318 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2aqb n ASP 319 N 6.87 1.95 -2.61 1.61 10.43 -1.26 -4.32 116.55 129.23 2aqb n ASP 319 Ca 0.00 -1.86 -0.32 0.00 2.57 0.00 0.00 54.79 55.17 2aqb n ASP 319 Cb 0.00 -0.19 0.02 0.00 1.84 0.00 0.00 41.12 42.80 2aqb n ASP 319 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2aqb n LYS 320 N 0.53 3.13 -1.59 -1.24 5.02 -0.45 -5.06 118.16 118.50 2aqb n LYS 320 Ca 0.15 -4.02 -0.46 0.00 -2.02 0.00 0.00 58.31 51.96 2aqb n LYS 320 Cb 0.34 -2.26 -0.02 0.00 -0.02 0.00 0.00 35.03 33.07 2aqb n LYS 320 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2aqb n SER 321 N -0.55 1.40 -4.32 4.39 2.88 -1.26 -4.90 113.62 111.27 2aqb n SER 321 Ca 0.47 1.17 -0.29 0.00 -1.33 0.00 0.00 58.87 58.88 2aqb n SER 321 Cb 0.52 -1.28 0.18 0.00 -0.75 0.00 0.00 64.21 62.88 2aqb n SER 321 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2aqb s PRO 322 N -1.13 0.22 0.23 -1.46 0.04 -1.26 -4.78 135.00 126.86 2aqb s PRO 322 Ca 0.63 0.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 2aqb s PRO 322 Cb -0.74 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 2aqb s PRO 322 CO 0.57 -2.77 1.33 0.00 0.04 0.00 0.00 177.00 176.17 2aqb s ALA 323 N -3.32 3.54 -0.06 8.56 0.00 -0.84 -4.07 121.76 125.57 2aqb s ALA 323 Ca 0.69 1.17 0.02 0.00 0.00 0.00 0.00 51.96 53.84 2aqb s ALA 323 Cb -0.11 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.53 2aqb s ALA 323 CO 0.54 -0.58 -0.12 0.42 0.00 0.00 0.00 175.76 176.02 2aqb s ILE 324 N -0.15 1.11 0.01 0.00 1.01 0.11 -0.42 121.20 122.85 2aqb s ILE 324 Ca 0.55 -0.48 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 2aqb s ILE 324 Cb -0.38 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 2aqb s ILE 324 CO 0.42 0.35 0.01 -0.94 0.00 0.00 0.00 174.94 174.77 2aqb s SER 325 N 0.57 0.10 -0.47 3.58 1.04 -1.15 -0.57 113.70 116.80 2aqb s SER 325 Ca -0.13 -0.22 -0.16 0.00 0.48 0.00 0.00 55.95 55.93 2aqb s SER 325 Cb -0.15 0.08 0.07 0.00 0.10 0.00 0.00 66.02 66.12 2aqb s SER 325 CO 0.03 -0.17 0.39 0.00 0.98 0.00 0.00 173.24 174.48 2aqb s ALA 326 N -0.77 3.55 -0.63 5.32 0.00 -1.26 -2.68 121.76 125.29 2aqb s ALA 326 Ca -0.08 -2.06 0.21 0.00 0.00 0.00 0.00 51.96 50.02 2aqb s ALA 326 Cb -0.05 -3.06 0.87 0.00 0.00 0.00 0.00 23.12 20.87 2aqb s ALA 326 CO -0.00 -1.71 1.63 0.25 0.00 0.00 0.00 175.76 175.92 2aqb n THR 327 N 5.21 0.90 0.30 0.00 -2.24 -1.26 -2.72 114.28 114.47 2aqb n THR 327 Ca -0.12 0.25 0.18 0.00 -2.27 0.00 0.00 64.05 62.09 2aqb n THR 327 Cb 0.44 -1.13 0.94 0.00 -2.10 0.00 0.00 70.33 68.48 2aqb n THR 327 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2aqb h LYS 328 N 0.00 0.00 0.00 -0.78 1.57 -1.82 -0.63 116.57 114.92 2aqb h LYS 328 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2aqb h LYS 328 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2aqb h LYS 328 CO 0.00 0.03 -0.21 0.00 -0.57 0.00 0.00 179.45 178.71 2aqb h ALA 329 N 1.97 1.39 0.00 3.86 0.00 -1.75 0.75 119.26 125.48 2aqb h ALA 329 Ca -0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 2aqb h ALA 329 Cb 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2aqb h ALA 329 CO 0.00 0.26 -0.54 0.52 0.00 0.00 0.00 179.25 179.50 2aqb h MET 330 N 0.00 0.00 0.00 0.00 2.86 -1.44 -3.42 114.93 112.92 2aqb h MET 330 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2aqb h MET 330 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2aqb h MET 330 CO 0.03 0.70 -1.08 0.25 1.06 0.00 0.00 176.91 177.87 2aqb n THR 331 N -4.57 0.26 -2.32 2.22 -2.24 -0.37 -1.49 114.28 105.78 2aqb n THR 331 Ca -0.16 -0.33 0.04 0.00 -2.27 0.00 0.00 64.05 61.32 2aqb n THR 331 Cb 0.45 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 2aqb n THR 331 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2aqb n GLY 332 N 1.32 -1.93 3.25 3.38 0.00 0.25 -4.64 105.19 106.80 2aqb n GLY 332 Ca 0.01 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 2aqb n GLY 332 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2aqb s HIS 333 N -0.76 3.35 -1.65 1.61 2.46 0.27 -4.63 115.29 115.95 2aqb s HIS 333 Ca 0.00 -1.63 0.10 0.00 0.47 0.00 0.00 55.06 54.00 2aqb s HIS 333 Cb 0.00 -2.77 0.35 0.00 -0.13 0.00 0.00 32.58 30.03 2aqb s HIS 333 CO 0.00 -0.83 1.23 -1.13 -2.47 0.00 0.00 174.74 171.54 2aqb n SER 334 N 4.83 2.32 0.00 9.88 3.41 -1.26 -0.53 113.62 132.27 2aqb n SER 334 Ca -0.10 -2.12 0.00 0.00 -0.26 0.00 0.00 58.87 56.39 2aqb n SER 334 Cb 0.43 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2aqb n SER 334 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2aqb n LEU 335 N 0.51 0.00 0.27 1.04 4.77 -1.26 -1.86 117.00 120.47 2aqb n LEU 335 Ca 0.13 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.24 2aqb n LEU 335 Cb 0.42 0.00 0.76 0.00 -2.33 0.00 0.00 43.42 42.27 2aqb n LEU 335 CO 0.10 0.00 0.99 1.23 -1.33 0.00 0.00 177.39 178.39 2aqb h GLY 336 N 0.00 0.00 1.02 -0.72 0.00 -1.85 -2.15 103.07 99.37 2aqb h GLY 336 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2aqb h GLY 336 CO 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 176.54 176.05 2aqb n ALA 337 N -2.25 3.53 -0.26 3.60 0.00 -0.78 -3.09 120.51 121.25 2aqb n ALA 337 Ca -0.02 -0.35 -0.05 0.00 0.00 0.00 0.00 53.44 53.03 2aqb n ALA 337 Cb 0.23 -1.13 0.06 0.00 0.00 0.00 0.00 19.45 18.61 2aqb n ALA 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aqb h ALA 338 N 3.00 0.92 0.20 0.00 0.00 -1.50 -1.85 119.26 120.03 2aqb h ALA 338 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2aqb h ALA 338 Cb 0.50 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2aqb h ALA 338 CO 0.00 0.36 -0.12 0.78 0.00 0.00 0.00 179.25 180.27 2aqb h GLY 339 N 0.99 -0.31 1.61 0.00 0.00 -1.74 -0.57 103.07 103.04 2aqb h GLY 339 Ca 0.26 0.13 -0.16 0.00 0.00 0.00 0.00 47.33 47.57 2aqb h GLY 339 CO -0.05 -0.13 -0.61 -0.24 0.00 0.00 0.00 176.54 175.51 2aqb h VAL 340 N -0.31 1.36 -0.46 4.60 3.04 -1.73 -2.11 116.25 120.64 2aqb h VAL 340 Ca -0.02 -1.94 -0.11 0.00 -1.01 0.00 0.00 66.70 63.62 2aqb h VAL 340 Cb 0.26 1.94 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 2aqb h VAL 340 CO 0.02 0.59 -0.16 1.56 -1.01 0.00 0.00 177.57 178.57 2aqb h GLN 341 N 0.30 0.92 -0.04 4.17 4.20 -1.19 -1.30 115.11 122.16 2aqb h GLN 341 Ca -0.01 -0.38 -0.19 0.00 0.06 0.00 0.00 58.65 58.14 2aqb h GLN 341 Cb 1.15 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.88 2aqb h GLN 341 CO 0.10 1.03 -0.79 0.93 -0.67 0.00 0.00 178.83 179.44 2aqb h GLU 342 N 0.77 0.34 -0.63 1.46 5.08 -1.15 -0.95 114.58 119.49 2aqb h GLU 342 Ca 0.11 -0.30 0.08 0.00 -1.00 0.00 0.00 59.36 58.25 2aqb h GLU 342 Cb 0.72 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 2aqb h GLU 342 CO 0.06 0.97 0.29 0.00 -1.00 0.00 0.00 179.01 179.32 2aqb h ALA 343 N 0.94 0.83 -0.53 3.43 0.00 -1.29 -0.83 119.26 121.80 2aqb h ALA 343 Ca -0.04 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2aqb h ALA 343 Cb 1.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2aqb h ALA 343 CO 0.13 -0.10 0.05 0.82 0.00 0.00 0.00 179.25 180.15 2aqb h ILE 344 N 0.52 1.26 -0.63 0.00 2.04 -0.90 0.16 117.51 119.96 2aqb h ILE 344 Ca 0.30 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.14 2aqb h ILE 344 Cb 0.31 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 2aqb h ILE 344 CO -0.25 0.37 0.40 1.88 0.00 0.00 0.00 178.15 180.54 2aqb h TYR 345 N 0.79 0.81 -0.36 1.37 0.05 -0.93 -0.52 116.97 118.18 2aqb h TYR 345 Ca 0.16 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.94 2aqb h TYR 345 Cb 0.47 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 2aqb h TYR 345 CO 0.03 0.53 0.22 0.77 -1.05 0.00 0.00 178.16 178.66 2aqb h SER 346 N 0.85 0.43 -0.84 3.88 0.02 -0.96 -1.66 113.55 115.27 2aqb h SER 346 Ca 0.23 -0.05 0.06 0.00 -0.84 0.00 0.00 61.79 61.19 2aqb h SER 346 Cb -0.06 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 62.31 2aqb h SER 346 CO -0.05 0.35 0.52 -0.07 -1.14 0.00 0.00 176.83 176.44 2aqb h LEU 347 N 0.47 0.81 -0.61 5.07 4.07 -0.69 -0.84 115.31 123.59 2aqb h LEU 347 Ca 0.13 0.02 -0.15 0.00 0.08 0.00 0.00 57.88 57.96 2aqb h LEU 347 Cb -0.00 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.58 2aqb h LEU 347 CO -0.02 0.52 -0.49 -0.07 -1.08 0.00 0.00 178.44 177.30 2aqb h LEU 348 N 0.95 0.56 -0.57 1.67 3.38 -0.89 0.16 115.31 120.57 2aqb h LEU 348 Ca 0.36 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.97 2aqb h LEU 348 Cb 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2aqb h LEU 348 CO -0.17 0.96 0.02 0.24 0.09 0.00 0.00 178.44 179.58 2aqb h MET 349 N 0.41 0.99 -0.23 1.13 2.86 -1.10 -0.04 114.93 118.95 2aqb h MET 349 Ca 0.02 -0.31 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 2aqb h MET 349 Cb 1.01 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 2aqb h MET 349 CO 0.09 0.98 0.07 1.25 1.06 0.00 0.00 176.91 180.36 2aqb h LEU 350 N 0.88 0.32 -0.51 1.22 6.46 -0.93 -0.19 115.31 122.56 2aqb h LEU 350 Ca 0.16 -0.20 -0.11 0.00 -0.12 0.00 0.00 57.88 57.62 2aqb h LEU 350 Cb 0.52 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 2aqb h LEU 350 CO 0.03 0.43 -0.10 -0.08 -0.62 0.00 0.00 178.44 178.10 2aqb h GLU 351 N 0.20 0.98 -0.21 1.25 4.57 -0.64 -3.30 114.58 117.43 2aqb h GLU 351 Ca 0.07 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 2aqb h GLU 351 Cb 0.22 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2aqb h GLU 351 CO -0.00 1.04 0.00 0.72 -1.18 0.00 0.00 179.01 179.58 2aqb n HIS 352 N -4.19 0.26 -2.93 0.92 8.25 -0.04 -5.02 115.22 112.47 2aqb n HIS 352 Ca 0.01 -0.17 -0.12 0.00 -0.26 0.00 0.00 57.72 57.18 2aqb n HIS 352 Cb 0.39 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.56 2aqb n HIS 352 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2aqb n GLY 353 N 1.10 -0.64 3.42 -1.41 0.00 -0.12 -4.94 105.19 102.59 2aqb n GLY 353 Ca 0.14 0.34 -0.10 0.00 0.00 0.00 0.00 46.02 46.39 2aqb n GLY 353 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2aqb s PHE 354 N -3.30 -0.12 -0.21 1.61 -0.12 -0.99 -1.35 117.98 113.50 2aqb s PHE 354 Ca 0.30 -0.21 -0.03 0.00 -0.05 0.00 0.00 56.93 56.94 2aqb s PHE 354 Cb -0.04 0.30 -0.01 0.00 -0.63 0.00 0.00 43.02 42.65 2aqb s PHE 354 CO 0.58 -0.81 -0.06 0.42 -0.05 0.00 0.00 175.22 175.31 2aqb s ILE 355 N -3.85 3.31 0.37 -4.49 1.09 0.16 -4.62 121.20 113.17 2aqb s ILE 355 Ca 0.07 -0.52 -0.27 0.00 -1.10 0.00 0.00 60.65 58.83 2aqb s ILE 355 Cb 0.01 -2.49 -0.10 0.00 -1.06 0.00 0.00 42.46 38.82 2aqb s ILE 355 CO -0.07 0.44 1.30 0.00 -0.10 0.00 0.00 174.94 176.51 2aqb s ALA 356 N 1.31 3.38 0.37 9.38 0.00 -1.26 -2.07 121.76 132.87 2aqb s ALA 356 Ca 0.04 1.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.98 2aqb s ALA 356 Cb -0.14 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 2aqb s ALA 356 CO -0.03 -0.71 1.01 -1.25 0.00 0.00 0.00 175.76 174.78 2aqb s PRO 357 N -2.01 4.35 -0.59 0.00 0.04 -1.26 -4.67 135.00 130.85 2aqb s PRO 357 Ca 0.53 1.43 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 2aqb s PRO 357 Cb -0.39 -2.64 0.06 0.00 0.04 0.00 0.00 34.50 31.57 2aqb s PRO 357 CO 0.51 0.04 0.89 0.45 0.04 0.00 0.00 177.00 178.93 2aqb s SER 358 N -1.60 6.24 0.56 6.66 0.15 0.77 -4.79 113.70 121.69 2aqb s SER 358 Ca 0.55 -0.76 -0.01 0.00 0.70 0.00 0.00 55.95 56.42 2aqb s SER 358 Cb -0.20 -2.40 0.03 0.00 -1.71 0.00 0.00 66.02 61.73 2aqb s SER 358 CO 0.26 -1.26 0.81 0.27 1.20 0.00 0.00 173.24 174.51 2aqb s ILE 359 N 3.73 3.02 -1.44 6.45 -4.36 -1.26 -4.45 121.20 122.89 2aqb s ILE 359 Ca 0.24 -0.48 0.00 0.00 -0.26 0.00 0.00 60.65 60.15 2aqb s ILE 359 Cb -0.16 -3.16 0.00 0.00 1.25 0.00 0.00 42.46 40.39 2aqb s ILE 359 CO 0.14 -0.13 0.00 0.59 0.24 0.00 0.00 174.94 175.77 2aqb n ASN 360 N -2.41 -4.64 -4.44 4.36 3.02 -1.26 -4.50 115.26 105.39 2aqb n ASN 360 Ca 0.06 0.34 -0.44 0.00 -0.03 0.00 0.00 54.58 54.50 2aqb n ASN 360 Cb 0.59 -3.34 -0.02 0.00 -0.61 0.00 0.00 39.78 36.40 2aqb n ASN 360 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2aqb s ILE 361 N -2.51 4.86 0.06 2.41 1.01 -1.26 -4.75 121.20 121.02 2aqb s ILE 361 Ca 0.00 -1.74 -0.15 0.00 0.00 0.00 0.00 60.65 58.77 2aqb s ILE 361 Cb 0.00 -4.74 -0.26 0.00 0.01 0.00 0.00 42.46 37.46 2aqb s ILE 361 CO 0.00 -1.45 1.14 -0.33 0.00 0.00 0.00 174.94 174.30 2aqb h GLU 362 N 8.63 0.66 -3.28 2.79 5.08 -1.96 -3.43 114.58 123.07 2aqb h GLU 362 Ca 0.16 -0.79 -0.48 0.00 -1.00 0.00 0.00 59.36 57.24 2aqb h GLU 362 Cb 1.02 0.24 -0.40 0.00 0.50 0.00 0.00 28.75 30.11 2aqb h GLU 362 CO 1.07 1.35 -0.76 -2.00 -1.00 0.00 0.00 179.01 177.67 2aqb s GLU 363 N -3.16 0.32 0.19 2.33 2.12 -1.26 -5.08 118.70 114.16 2aqb s GLU 363 Ca -0.10 -0.22 -0.30 0.00 0.36 0.00 0.00 54.97 54.71 2aqb s GLU 363 Cb 0.06 -1.92 -0.08 0.00 0.26 0.00 0.00 34.13 32.45 2aqb s GLU 363 CO 0.93 -0.65 1.18 -1.17 -0.54 0.00 0.00 175.26 175.01 2aqb s LEU 364 N 2.02 4.46 0.44 2.70 1.98 -1.26 -0.86 118.68 128.16 2aqb s LEU 364 Ca 0.01 2.22 -0.25 0.00 -2.89 0.00 0.00 54.13 53.21 2aqb s LEU 364 Cb -0.16 -3.61 -0.08 0.00 0.66 0.00 0.00 46.19 43.00 2aqb s LEU 364 CO -0.08 -0.35 1.33 -0.62 -1.89 0.00 0.00 176.35 174.74 2aqb s ASP 365 N 0.07 6.03 0.28 3.68 -1.08 -0.13 -4.78 116.67 120.73 2aqb s ASP 365 Ca 0.52 2.71 0.01 0.00 -0.52 0.00 0.00 52.55 55.27 2aqb s ASP 365 Cb -0.32 -2.64 0.65 0.00 -1.46 0.00 0.00 42.92 39.15 2aqb s ASP 365 CO 0.37 -1.05 1.68 -0.33 0.52 0.00 0.00 175.17 176.36 2aqb h GLU 366 N 2.35 0.32 0.00 4.34 5.08 -1.94 -2.02 114.58 122.71 2aqb h GLU 366 Ca -0.50 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2aqb h GLU 366 Cb 1.26 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2aqb h GLU 366 CO 0.61 0.21 0.00 1.04 -1.00 0.00 0.00 179.01 179.88 2aqb n GLN 367 N -5.11 0.90 0.00 2.33 6.02 -1.26 -1.72 117.38 118.55 2aqb n GLN 367 Ca 0.20 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.31 2aqb n GLN 367 Cb 0.61 -1.25 0.10 0.00 1.02 0.00 0.00 30.24 30.72 2aqb n GLN 367 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2aqb n ALA 368 N -0.75 3.09 -1.86 -1.58 0.00 -0.76 -4.68 120.51 113.98 2aqb n ALA 368 Ca 0.11 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 2aqb n ALA 368 Cb 0.05 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 2aqb n ALA 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aqb s ALA 369 N -2.29 3.73 0.00 0.00 0.00 -0.70 -2.31 121.76 120.19 2aqb s ALA 369 Ca 0.23 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.61 2aqb s ALA 369 Cb 0.19 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2aqb s ALA 369 CO 0.46 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2aqb n GLY 370 N 2.85 0.39 3.83 0.00 0.00 -1.26 -5.06 105.19 105.94 2aqb n GLY 370 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.90 2aqb n GLY 370 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqb s LEU 371 N 0.00 3.34 -0.97 0.99 1.43 -0.98 -4.72 118.68 117.78 2aqb s LEU 371 Ca 0.00 -0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 52.27 2aqb s LEU 371 Cb 0.00 -1.91 0.26 0.00 0.03 0.00 0.00 46.19 44.57 2aqb s LEU 371 CO 0.00 -0.58 1.01 -3.20 0.23 0.00 0.00 176.35 173.81 2aqb n ASN 372 N -1.44 4.96 -4.62 2.29 4.05 -1.26 -5.02 115.26 114.23 2aqb n ASN 372 Ca 0.02 -3.20 -0.43 0.00 0.45 0.00 0.00 54.58 51.41 2aqb n ASN 372 Cb 0.62 -1.14 -0.02 0.00 1.23 0.00 0.00 39.78 40.47 2aqb n ASN 372 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 2aqb s ILE 373 N -1.78 4.36 -0.30 -1.44 1.09 -1.26 0.04 121.20 121.91 2aqb s ILE 373 Ca 0.31 1.44 -0.20 0.00 -1.10 0.00 0.00 60.65 61.10 2aqb s ILE 373 Cb -0.03 -4.51 -0.01 0.00 -1.06 0.00 0.00 42.46 36.85 2aqb s ILE 373 CO -0.05 -0.75 0.62 -0.69 -0.10 0.00 0.00 174.94 173.97 2aqb s VAL 374 N 4.05 4.95 -2.05 2.92 1.01 0.26 -4.93 120.40 126.61 2aqb s VAL 374 Ca 0.46 0.89 0.17 0.00 0.00 0.00 0.00 61.98 63.50 2aqb s VAL 374 Cb -0.10 -3.98 0.12 0.00 0.00 0.00 0.00 36.38 32.42 2aqb s VAL 374 CO 0.24 -0.11 1.02 0.35 0.00 0.00 0.00 175.10 176.60 2aqb n THR 375 N 5.36 0.00 -4.28 3.92 -2.24 -1.26 -0.17 114.28 115.61 2aqb n THR 375 Ca -0.01 -0.48 -0.18 0.00 -2.27 0.00 0.00 64.05 61.12 2aqb n THR 375 Cb 0.49 1.33 -0.14 0.00 -2.10 0.00 0.00 70.33 69.91 2aqb n THR 375 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2aqb s GLU 376 N -1.50 0.70 0.09 -0.78 2.12 -1.26 -4.43 118.70 113.63 2aqb s GLU 376 Ca 0.19 -0.48 -0.34 0.00 0.36 0.00 0.00 54.97 54.71 2aqb s GLU 376 Cb 0.14 -0.65 -0.13 0.00 0.26 0.00 0.00 34.13 33.76 2aqb s GLU 376 CO 0.24 0.17 1.70 2.41 -0.54 0.00 0.00 175.26 179.24 2aqb n THR 377 N 2.40 0.21 -3.84 -1.70 -1.04 -1.26 -4.58 114.28 104.47 2aqb n THR 377 Ca -0.16 -0.04 -0.26 0.00 -2.04 0.00 0.00 64.05 61.55 2aqb n THR 377 Cb 0.56 -1.72 -0.17 0.00 -1.82 0.00 0.00 70.33 67.18 2aqb n THR 377 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2aqb s THR 378 N 2.04 0.76 0.18 12.58 2.01 -0.88 -4.96 115.64 127.37 2aqb s THR 378 Ca 0.83 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.28 2aqb s THR 378 Cb -0.65 -0.92 -0.08 0.00 0.01 0.00 0.00 72.50 70.86 2aqb s THR 378 CO 0.41 0.21 1.31 -1.81 -0.69 0.00 0.00 174.62 174.06 2aqb s ASP 379 N 1.80 6.91 -0.29 3.53 1.01 -1.26 0.37 116.67 128.74 2aqb s ASP 379 Ca 0.03 2.36 -0.22 0.00 0.71 0.00 0.00 52.55 55.44 2aqb s ASP 379 Cb -0.14 -2.60 0.14 0.00 1.01 0.00 0.00 42.92 41.33 2aqb s ASP 379 CO -0.07 -0.53 1.05 -0.60 0.21 0.00 0.00 175.17 175.23 2aqb s ARG 380 N 0.12 0.42 -0.34 8.23 3.52 -0.46 -4.92 118.95 125.52 2aqb s ARG 380 Ca 0.58 0.57 -0.28 0.00 -0.13 0.00 0.00 55.73 56.47 2aqb s ARG 380 Cb -0.36 0.16 -0.02 0.00 -1.56 0.00 0.00 34.95 33.17 2aqb s ARG 380 CO 0.36 -0.06 1.88 -1.21 -0.81 0.00 0.00 175.30 175.46 2aqb s GLU 381 N 0.62 3.22 0.04 5.12 0.41 -1.26 -3.41 118.70 123.44 2aqb s GLU 381 Ca -0.01 1.45 -0.01 0.00 -0.41 0.00 0.00 54.97 55.99 2aqb s GLU 381 Cb -0.04 -4.25 -0.04 0.00 -1.78 0.00 0.00 34.13 28.02 2aqb s GLU 381 CO -0.10 -2.00 0.21 -0.51 -0.49 0.00 0.00 175.26 172.37 2aqb s LEU 382 N 7.41 4.36 0.00 1.80 1.43 -1.26 -5.02 118.68 127.40 2aqb s LEU 382 Ca 0.82 0.31 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 2aqb s LEU 382 Cb -0.23 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.12 2aqb s LEU 382 CO 0.33 0.19 0.00 0.41 0.23 0.00 0.00 176.35 177.51 2aqb n THR 383 N 0.47 0.00 -4.43 5.49 -1.04 -1.26 -4.92 114.28 108.59 2aqb n THR 383 Ca -0.07 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.67 2aqb n THR 383 Cb 0.51 -0.82 -0.17 0.00 -1.82 0.00 0.00 70.33 68.03 2aqb n THR 383 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2aqb s THR 384 N -1.92 1.41 0.16 12.58 2.01 -1.26 -1.13 115.64 127.49 2aqb s THR 384 Ca 0.00 -0.59 0.10 0.00 0.31 0.00 0.00 61.69 61.51 2aqb s THR 384 Cb 0.00 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.17 2aqb s THR 384 CO 0.00 0.42 -0.23 0.68 -0.69 0.00 0.00 174.62 174.80 2aqb s VAL 385 N 1.00 2.13 0.02 3.82 -7.23 0.92 -1.23 120.40 119.84 2aqb s VAL 385 Ca -0.07 -1.87 0.05 0.00 -1.81 0.00 0.00 61.98 58.28 2aqb s VAL 385 Cb -0.15 -1.96 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 2aqb s VAL 385 CO -0.01 -0.10 -0.14 -0.32 -0.31 0.00 0.00 175.10 174.22 2aqb s MET 386 N -2.43 1.00 -0.06 4.82 -2.45 0.02 -0.46 119.30 119.74 2aqb s MET 386 Ca 0.16 -0.66 0.00 0.00 -1.25 0.00 0.00 55.69 53.94 2aqb s MET 386 Cb -0.08 -0.99 0.02 0.00 1.25 0.00 0.00 34.83 35.03 2aqb s MET 386 CO 0.07 0.26 -0.03 0.45 1.05 0.00 0.00 175.02 176.82 2aqb s SER 387 N -0.84 1.25 -0.12 1.11 0.15 0.10 0.43 113.70 115.79 2aqb s SER 387 Ca 0.03 -0.12 -0.06 0.00 0.70 0.00 0.00 55.95 56.49 2aqb s SER 387 Cb -0.07 -0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 63.73 2aqb s SER 387 CO 0.01 -0.11 0.12 0.20 1.20 0.00 0.00 173.24 174.66 2aqb s ASN 388 N 1.35 6.21 -0.17 5.45 0.01 -0.61 -1.34 114.94 125.84 2aqb s ASN 388 Ca -0.04 0.42 -0.04 0.00 -0.71 0.00 0.00 52.86 52.48 2aqb s ASN 388 Cb -0.13 -1.98 0.06 0.00 0.41 0.00 0.00 41.25 39.60 2aqb s ASN 388 CO -0.02 0.40 0.08 -0.44 -1.51 0.00 0.00 177.10 175.60 2aqb s SER 389 N -0.99 2.46 -0.31 -1.22 0.01 0.51 -3.03 113.70 111.12 2aqb s SER 389 Ca 0.15 -0.65 0.02 0.00 1.31 0.00 0.00 55.95 56.78 2aqb s SER 389 Cb -0.12 -0.32 0.08 0.00 0.21 0.00 0.00 66.02 65.87 2aqb s SER 389 CO 0.04 -0.34 0.00 -0.36 0.41 0.00 0.00 173.24 172.99 2aqb s PHE 390 N 2.07 3.51 0.24 2.43 0.08 -1.26 -0.30 117.98 124.76 2aqb s PHE 390 Ca 0.01 -2.57 -0.01 0.00 0.12 0.00 0.00 56.93 54.49 2aqb s PHE 390 Cb -0.16 -2.51 -0.04 0.00 -0.57 0.00 0.00 43.02 39.74 2aqb s PHE 390 CO -0.09 -0.91 0.44 0.20 -0.10 0.00 0.00 175.22 174.76 2aqb s GLY 391 N 1.11 1.67 0.18 4.36 0.00 0.22 -4.80 107.32 110.06 2aqb s GLY 391 Ca 0.02 -0.84 -0.32 0.00 0.00 0.00 0.00 44.72 43.59 2aqb s GLY 391 CO -0.06 -0.78 0.96 0.69 0.00 0.00 0.00 173.10 173.91 2aqb n PHE 392 N -0.96 0.75 -0.48 1.90 3.01 -1.26 -2.03 117.46 118.38 2aqb n PHE 392 Ca -0.05 0.81 0.00 0.00 1.01 0.00 0.00 57.45 59.22 2aqb n PHE 392 Cb 0.54 -2.17 0.00 0.00 -0.01 0.00 0.00 39.48 37.85 2aqb n PHE 392 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2aqb n GLY 393 N 1.79 0.73 3.21 1.37 0.00 -0.25 -4.38 105.19 107.66 2aqb n GLY 393 Ca 0.15 -0.23 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 2aqb n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqb n GLY 394 N -2.48 -0.29 3.40 -0.02 0.00 -0.91 -4.80 105.19 100.09 2aqb n GLY 394 Ca 0.00 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2aqb n GLY 394 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2aqb s THR 395 N -3.25 3.83 -0.06 2.61 -1.32 -0.86 -0.76 115.64 115.82 2aqb s THR 395 Ca 0.48 -0.34 0.06 0.00 -1.21 0.00 0.00 61.69 60.67 2aqb s THR 395 Cb -0.21 -2.75 -0.01 0.00 -1.51 0.00 0.00 72.50 68.02 2aqb s THR 395 CO 0.59 0.41 -0.23 0.20 -2.21 0.00 0.00 174.62 173.37 2aqb s ASN 396 N 1.30 3.22 -0.02 8.08 0.01 -0.40 0.70 114.94 127.83 2aqb s ASN 396 Ca 0.04 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 51.74 2aqb s ASN 396 Cb -0.15 -0.82 0.00 0.00 0.41 0.00 0.00 41.25 40.70 2aqb s ASN 396 CO 0.01 0.26 -0.07 0.00 -1.51 0.00 0.00 177.10 175.79 2aqb s ALA 397 N -0.25 0.65 -0.03 0.60 0.00 0.58 -1.77 121.76 121.55 2aqb s ALA 397 Ca -0.01 -0.24 0.03 0.00 0.00 0.00 0.00 51.96 51.74 2aqb s ALA 397 Cb -0.13 -0.25 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 2aqb s ALA 397 CO 0.03 0.11 -0.11 0.99 0.00 0.00 0.00 175.76 176.77 2aqb s THR 398 N 0.17 0.96 -0.09 0.00 2.01 -0.18 -0.36 115.64 118.14 2aqb s THR 398 Ca -0.02 -0.47 0.04 0.00 0.31 0.00 0.00 61.69 61.55 2aqb s THR 398 Cb -0.07 -0.83 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 2aqb s THR 398 CO -0.00 0.29 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.24 2aqb s LEU 399 N 0.05 2.27 -0.19 4.42 1.43 -0.45 -0.76 118.68 125.46 2aqb s LEU 399 Ca -0.01 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 2aqb s LEU 399 Cb -0.08 -1.45 0.00 0.00 0.03 0.00 0.00 46.19 44.69 2aqb s LEU 399 CO 0.01 0.20 -0.14 -0.69 0.23 0.00 0.00 176.35 175.96 2aqb s VAL 400 N 0.10 2.65 -0.00 -1.59 1.01 -0.24 -0.72 120.40 121.60 2aqb s VAL 400 Ca -0.10 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.21 2aqb s VAL 400 Cb -0.16 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 2aqb s VAL 400 CO 0.06 0.50 -0.23 -0.04 0.00 0.00 0.00 175.10 175.39 2aqb s MET 401 N 1.22 2.11 -0.03 2.72 -1.94 0.40 -1.11 119.30 122.67 2aqb s MET 401 Ca 0.02 -0.93 -0.02 0.00 -1.71 0.00 0.00 55.69 53.05 2aqb s MET 401 Cb -0.14 -2.12 0.01 0.00 2.01 0.00 0.00 34.83 34.59 2aqb s MET 401 CO -0.06 0.56 0.07 0.50 -0.01 0.00 0.00 175.02 176.08 2aqb s ARG 402 N -0.90 0.07 0.51 2.03 3.52 -0.21 -0.05 118.95 123.91 2aqb s ARG 402 Ca 0.11 0.12 -0.21 0.00 -0.13 0.00 0.00 55.73 55.63 2aqb s ARG 402 Cb -0.10 0.00 -0.09 0.00 -1.56 0.00 0.00 34.95 33.20 2aqb s ARG 402 CO 0.01 -0.03 0.78 1.63 -0.81 0.00 0.00 175.30 176.88 2aqb n LYS 403 N 3.20 0.86 0.00 5.12 5.02 -0.29 -0.55 118.16 131.52 2aqb n LYS 403 Ca -0.14 0.32 0.14 0.00 -2.02 0.00 0.00 58.31 56.61 2aqb n LYS 403 Cb 0.58 -1.89 0.49 0.00 -0.02 0.00 0.00 35.03 34.19 2aqb n LYS 403 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77