#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 3.11 -0.11 1.97 0.52 -1.26 -4.39 118.95 118.79 2aqb s ARG 3 Ca 0.00 -0.36 0.01 0.00 -0.52 0.00 0.00 55.73 54.86 2aqb s ARG 3 Cb 0.00 -2.91 -0.02 0.00 0.52 0.00 0.00 34.95 32.55 2aqb s ARG 3 CO 0.00 0.71 -0.13 0.00 0.02 0.00 0.00 175.30 175.90 2aqb s ALA 4 N -1.01 2.65 0.23 2.13 0.00 -1.26 -0.48 121.76 124.01 2aqb s ALA 4 Ca 0.16 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.30 2aqb s ALA 4 Cb -0.12 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.79 2aqb s ALA 4 CO 0.06 0.33 -0.15 0.14 0.00 0.00 0.00 175.76 176.14 2aqb s VAL 5 N 0.07 1.90 -0.27 0.00 -7.23 0.31 -1.07 120.40 114.11 2aqb s VAL 5 Ca -0.05 -2.25 -0.10 0.00 -1.81 0.00 0.00 61.98 57.77 2aqb s VAL 5 Cb -0.15 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2aqb s VAL 5 CO 0.04 -0.54 0.15 -0.63 -0.31 0.00 0.00 175.10 173.82 2aqb s ILE 6 N -2.87 5.00 -0.34 -0.62 1.01 0.66 -0.44 121.20 123.61 2aqb s ILE 6 Ca 0.25 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.98 2aqb s ILE 6 Cb -0.01 -3.38 0.07 0.00 0.01 0.00 0.00 42.46 39.15 2aqb s ILE 6 CO 0.09 0.27 0.90 0.35 0.00 0.00 0.00 174.94 176.55 2aqb n THR 7 N 5.02 0.61 -3.63 2.92 -2.24 -0.59 -0.84 114.28 115.53 2aqb n THR 7 Ca -0.15 -0.81 -0.06 0.00 -2.27 0.00 0.00 64.05 60.77 2aqb n THR 7 Cb 0.52 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.41 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 -0.72 0.02 0.05 3.38 0.00 -1.26 -3.83 107.32 104.96 2aqb s GLY 8 Ca 0.06 2.75 -0.04 0.00 0.00 0.00 0.00 44.72 47.49 2aqb s GLY 8 CO 0.05 1.38 0.06 0.48 0.00 0.00 0.00 173.10 175.07 2aqb s LEU 9 N -0.62 1.99 -0.11 0.66 0.05 -1.26 -0.40 118.68 118.99 2aqb s LEU 9 Ca 0.05 -0.72 -0.21 0.00 0.05 0.00 0.00 54.13 53.29 2aqb s LEU 9 Cb -0.02 0.52 0.05 0.00 -2.05 0.00 0.00 46.19 44.69 2aqb s LEU 9 CO -0.07 -0.58 0.52 -0.83 -0.55 0.00 0.00 176.35 174.85 2aqb s GLY 10 N -2.53 -0.39 -0.18 -3.48 0.00 0.01 -3.21 107.32 97.54 2aqb s GLY 10 Ca 0.01 1.16 -0.14 0.00 0.00 0.00 0.00 44.72 45.74 2aqb s GLY 10 CO -0.08 0.91 0.47 -1.50 0.00 0.00 0.00 173.10 172.90 2aqb s ILE 11 N -0.55 -0.01 -0.25 0.90 2.07 -1.26 -0.73 121.20 121.37 2aqb s ILE 11 Ca -0.07 0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.21 2aqb s ILE 11 Cb -0.03 -0.67 0.07 0.00 0.13 0.00 0.00 42.46 41.96 2aqb s ILE 11 CO 0.04 0.01 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.34 2aqb s VAL 12 N 0.66 1.69 0.16 4.00 1.01 -0.88 -3.22 120.40 123.83 2aqb s VAL 12 Ca -0.03 -1.41 0.04 0.00 0.00 0.00 0.00 61.98 60.57 2aqb s VAL 12 Cb -0.05 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.32 2aqb s VAL 12 CO -0.04 -0.15 -0.07 -0.55 0.00 0.00 0.00 175.10 174.29 2aqb s SER 13 N 1.30 1.65 0.54 3.32 0.15 0.65 -0.98 113.70 120.33 2aqb s SER 13 Ca -0.04 -1.07 0.27 0.00 0.70 0.00 0.00 55.95 55.80 2aqb s SER 13 Cb -0.19 0.02 1.54 0.00 -1.71 0.00 0.00 66.02 65.68 2aqb s SER 13 CO -0.07 -0.41 2.13 0.77 1.20 0.00 0.00 173.24 176.86 2aqb h SER 14 N 2.73 0.00 -0.56 5.45 4.64 -1.76 -2.64 113.55 121.41 2aqb h SER 14 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2aqb h SER 14 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2aqb h SER 14 CO 0.64 0.08 0.00 2.30 -0.87 0.00 0.00 176.83 178.98 2aqb n ILE 15 N -3.80 1.33 0.00 0.95 -5.35 -1.26 -4.48 119.36 106.76 2aqb n ILE 15 Ca -0.02 -1.12 0.00 0.00 -0.27 0.00 0.00 62.75 61.33 2aqb n ILE 15 Cb 0.18 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 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 1.01 3.57 0.90 3.28 0.00 -0.99 -3.94 105.19 109.02 2aqb n GLY 16 Ca 0.21 -0.42 0.11 0.00 0.00 0.00 0.00 46.02 45.93 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 2.70 -3.41 1.61 3.02 -1.26 -0.26 115.26 117.66 2aqb n ASN 17 Ca 0.00 -1.88 -0.05 0.00 -0.03 0.00 0.00 54.58 52.61 2aqb n ASN 17 Cb 0.00 -0.19 0.01 0.00 -0.61 0.00 0.00 39.78 38.99 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 -1.52 -0.08 0.38 6.41 6.03 -1.20 -4.62 114.94 120.34 2aqb s ASN 18 Ca 0.36 -0.73 0.12 0.00 -1.03 0.00 0.00 52.86 51.58 2aqb s ASN 18 Cb 0.20 0.63 0.75 0.00 -3.03 0.00 0.00 41.25 39.80 2aqb s ASN 18 CO 0.29 -1.22 1.85 0.06 -2.03 0.00 0.00 177.10 176.05 2aqb h GLN 19 N 2.00 0.04 -0.28 3.55 3.07 -1.92 -1.14 115.11 120.44 2aqb h GLN 19 Ca -0.27 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.43 2aqb h GLN 19 Cb 1.23 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.78 2aqb h GLN 19 CO 0.33 0.36 0.06 1.96 0.09 0.00 0.00 178.83 181.63 2aqb h GLN 20 N 0.03 0.44 -0.43 0.06 7.50 -1.98 0.20 115.11 120.94 2aqb h GLN 20 Ca 0.00 -0.11 -0.05 0.00 0.50 0.00 0.00 58.65 59.00 2aqb h GLN 20 Cb 0.60 -0.06 -0.02 0.00 0.05 0.00 0.00 27.48 28.05 2aqb h GLN 20 CO 0.04 0.54 0.08 0.93 -1.50 0.00 0.00 178.83 178.92 2aqb h GLU 21 N 0.28 0.70 -0.35 1.46 5.08 -1.86 -2.51 114.58 117.38 2aqb h GLU 21 Ca 0.09 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2aqb h GLU 21 Cb 0.29 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2aqb h GLU 21 CO 0.00 0.72 0.21 0.28 -1.00 0.00 0.00 179.01 179.23 2aqb h VAL 22 N 0.56 1.11 -0.16 3.13 2.07 -1.15 -1.35 116.25 120.46 2aqb h VAL 22 Ca 0.13 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.45 2aqb h VAL 22 Cb 0.35 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 2aqb h VAL 22 CO 0.01 0.11 -0.24 0.25 0.02 0.00 0.00 177.57 177.71 2aqb h LEU 23 N 0.45 -0.76 -0.87 2.57 6.46 -0.88 -0.53 115.31 121.75 2aqb h LEU 23 Ca 0.12 0.13 0.02 0.00 -0.12 0.00 0.00 57.88 58.03 2aqb h LEU 23 Cb -0.00 0.34 -0.05 0.00 -0.73 0.00 0.00 40.66 40.22 2aqb h LEU 23 CO -0.02 -0.29 0.57 0.00 -0.62 0.00 0.00 178.44 178.08 2aqb h ALA 24 N 0.68 1.13 -0.44 1.25 0.00 -1.28 -1.85 119.26 118.75 2aqb h ALA 24 Ca 0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2aqb h ALA 24 Cb 0.46 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2aqb h ALA 24 CO -0.33 0.47 0.18 0.77 0.00 0.00 0.00 179.25 180.34 2aqb h SER 25 N 1.15 0.59 -0.68 0.00 0.02 -0.66 -0.97 113.55 113.00 2aqb h SER 25 Ca 0.33 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2aqb h SER 25 Cb -0.08 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 2aqb h SER 25 CO -0.09 0.59 0.24 -0.07 -1.14 0.00 0.00 176.83 176.36 2aqb h LEU 26 N 0.56 0.97 -0.80 5.07 3.38 -0.91 -0.20 115.31 123.37 2aqb h LEU 26 Ca 0.15 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 2aqb h LEU 26 Cb 0.18 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2aqb h LEU 26 CO -0.01 0.90 -0.30 0.03 0.09 0.00 0.00 178.44 179.15 2aqb h ARG 27 N 0.98 0.56 -0.00 1.13 3.08 -1.25 -3.09 114.38 115.79 2aqb h ARG 27 Ca 0.22 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2aqb h ARG 27 Cb 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2aqb h ARG 27 CO -0.01 0.80 -0.11 0.39 -1.07 0.00 0.00 179.97 179.97 2aqb n GLU 28 N -4.09 0.14 -2.14 0.04 -0.58 -0.38 -4.73 120.64 108.90 2aqb n GLU 28 Ca -0.01 -0.03 -0.15 0.00 -0.42 0.00 0.00 57.16 56.56 2aqb n GLU 28 Cb 0.45 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.80 2aqb n GLU 28 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2aqb n GLY 29 N 1.45 0.04 3.68 0.62 0.00 -0.65 -4.96 105.19 105.38 2aqb n GLY 29 Ca 0.09 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.49 4.34 0.30 1.61 3.52 -0.18 -4.97 118.95 119.07 2aqb s ARG 30 Ca 0.00 1.69 -0.29 0.00 -0.13 0.00 0.00 55.73 57.00 2aqb s ARG 30 Cb 0.00 -3.58 -0.10 0.00 -1.56 0.00 0.00 34.95 29.71 2aqb s ARG 30 CO 0.00 -0.48 1.26 0.45 -0.81 0.00 0.00 175.30 175.72 2aqb s SER 31 N 1.55 6.90 0.00 -2.12 0.15 -1.26 -4.82 113.70 114.10 2aqb s SER 31 Ca 0.56 2.56 0.19 0.00 0.70 0.00 0.00 55.95 59.96 2aqb s SER 31 Cb -0.25 -2.64 0.51 0.00 -1.71 0.00 0.00 66.02 61.93 2aqb s SER 31 CO 0.22 -0.44 1.43 0.61 1.20 0.00 0.00 173.24 176.25 2aqb n GLY 32 N 1.08 2.49 3.78 9.45 0.00 0.42 -4.95 105.19 117.45 2aqb n GLY 32 Ca 0.00 -0.65 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.03 5.21 0.22 -0.61 -1.09 -1.26 -3.99 121.20 118.65 2aqb s ILE 33 Ca 0.39 0.70 0.02 0.00 -2.23 0.00 0.00 60.65 59.53 2aqb s ILE 33 Cb 0.21 -3.68 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 2aqb s ILE 33 CO 0.27 0.46 0.03 0.42 -1.23 0.00 0.00 174.94 174.89 2aqb s THR 34 N -0.16 0.74 0.27 2.92 -4.23 -0.57 -4.19 115.64 110.43 2aqb s THR 34 Ca 0.21 -2.00 -0.29 0.00 -1.18 0.00 0.00 61.69 58.42 2aqb s THR 34 Cb -0.15 -2.35 -0.09 0.00 1.34 0.00 0.00 72.50 71.25 2aqb s THR 34 CO 0.08 -0.28 1.16 0.12 -0.54 0.00 0.00 174.62 175.17 2aqb s PHE 35 N -3.62 3.43 -0.31 3.99 2.19 -1.26 -1.25 117.98 121.15 2aqb s PHE 35 Ca 0.30 1.59 -0.00 0.00 0.33 0.00 0.00 56.93 59.14 2aqb s PHE 35 Cb 0.07 -3.40 0.06 0.00 -1.31 0.00 0.00 43.02 38.44 2aqb s PHE 35 CO 0.08 -0.96 0.00 0.45 1.83 0.00 0.00 175.22 176.62 2aqb s SER 36 N -0.61 4.82 0.34 6.13 0.15 0.16 -4.86 113.70 119.83 2aqb s SER 36 Ca 0.47 -1.47 0.03 0.00 0.70 0.00 0.00 55.95 55.68 2aqb s SER 36 Cb -0.34 -1.68 0.61 0.00 -1.71 0.00 0.00 66.02 62.90 2aqb s SER 36 CO 0.43 -0.29 1.93 -0.61 1.20 0.00 0.00 173.24 175.90 2aqb h GLN 37 N 7.92 0.68 0.07 5.44 5.75 -1.96 -2.14 115.11 130.85 2aqb h GLN 37 Ca -0.18 -0.10 0.01 0.00 -0.15 0.00 0.00 58.65 58.24 2aqb h GLN 37 Cb 1.05 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.46 2aqb h GLN 37 CO 0.53 0.56 -0.13 1.49 -2.65 0.00 0.00 178.83 178.64 2aqb h GLU 38 N 0.67 -0.24 -0.58 1.69 4.81 -1.96 -0.17 114.58 118.80 2aqb h GLU 38 Ca 0.16 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2aqb h GLU 38 Cb 0.14 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 2aqb h GLU 38 CO -0.02 -0.16 0.33 -0.07 -0.73 0.00 0.00 179.01 178.36 2aqb h LEU 39 N -0.25 0.72 -0.09 1.64 3.38 -1.84 -2.42 115.31 116.45 2aqb h LEU 39 Ca 0.02 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2aqb h LEU 39 Cb 0.27 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2aqb h LEU 39 CO -0.08 0.60 0.05 0.50 0.09 0.00 0.00 178.44 179.60 2aqb h LYS 40 N 0.79 0.12 -0.29 1.13 3.64 -1.28 -2.93 116.57 117.75 2aqb h LYS 40 Ca 0.21 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 2aqb h LYS 40 Cb 0.03 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2aqb h LYS 40 CO -0.03 0.12 0.20 -0.44 -2.27 0.00 0.00 179.45 177.03 2aqb h ASP 41 N 0.08 0.09 0.91 4.20 3.32 -0.89 -1.97 116.42 122.17 2aqb h ASP 41 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2aqb h ASP 41 Cb 0.04 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2aqb h ASP 41 CO -0.01 0.06 0.00 0.77 -1.72 0.00 0.00 179.24 178.34 2aqb h SER 42 N 0.10 0.00 0.00 6.45 4.64 -1.25 -3.46 113.55 120.03 2aqb h SER 42 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2aqb h SER 42 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2aqb h SER 42 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 2aqb n GLY 43 N 0.29 0.89 3.77 -0.77 0.00 -0.74 -5.09 105.19 103.53 2aqb n GLY 43 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.00 2.37 0.07 1.61 -1.94 -1.16 -4.98 119.30 114.27 2aqb s MET 44 Ca 0.00 1.21 0.17 0.00 -1.71 0.00 0.00 55.69 55.37 2aqb s MET 44 Cb 0.00 -1.91 -0.13 0.00 2.01 0.00 0.00 34.83 34.80 2aqb s MET 44 CO 0.00 -1.56 0.82 0.54 -0.01 0.00 0.00 175.02 174.81 2aqb n ARG 45 N -3.29 0.62 -3.09 2.03 1.74 -1.26 -4.73 116.66 108.68 2aqb n ARG 45 Ca 0.09 0.20 -0.41 0.00 -0.77 0.00 0.00 57.85 56.97 2aqb n ARG 45 Cb 0.53 -1.80 -0.06 0.00 -1.02 0.00 0.00 32.46 30.11 2aqb n ARG 45 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2aqb s SER 46 N -5.72 6.60 -0.17 0.55 0.15 -1.26 -4.61 113.70 109.24 2aqb s SER 46 Ca -0.03 0.71 0.17 0.00 0.70 0.00 0.00 55.95 57.50 2aqb s SER 46 Cb 0.09 -2.35 0.43 0.00 -1.71 0.00 0.00 66.02 62.48 2aqb s SER 46 CO 0.81 -0.40 1.31 1.41 1.20 0.00 0.00 173.24 177.57 2aqb n HIS 47 N 5.76 0.55 -4.46 3.44 8.25 -1.26 -4.55 115.22 122.94 2aqb n HIS 47 Ca 0.00 -1.01 -0.22 0.00 -0.26 0.00 0.00 57.72 56.23 2aqb n HIS 47 Cb 0.49 -0.26 -0.14 0.00 1.12 0.00 0.00 29.99 31.20 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 -2.90 1.31 0.04 1.59 -7.23 -1.26 0.41 120.40 112.35 2aqb s VAL 48 Ca 0.38 -1.06 -0.19 0.00 -1.81 0.00 0.00 61.98 59.31 2aqb s VAL 48 Cb 0.32 -1.16 0.04 0.00 0.56 0.00 0.00 36.38 36.14 2aqb s VAL 48 CO 0.05 0.09 0.43 -1.66 -0.31 0.00 0.00 175.10 173.70 2aqb s TRP 49 N -0.81 -0.30 -1.14 2.82 -2.14 -0.38 -4.42 118.94 112.57 2aqb s TRP 49 Ca 0.04 0.30 -0.14 0.00 2.66 0.00 0.00 56.10 58.95 2aqb s TRP 49 Cb -0.08 0.23 0.18 0.00 -3.10 0.00 0.00 33.47 30.70 2aqb s TRP 49 CO 0.01 -0.57 1.33 0.20 -2.66 0.00 0.00 176.95 175.26 2aqb s GLY 50 N -1.92 2.43 0.38 3.67 0.00 0.32 -1.51 107.32 110.70 2aqb s GLY 50 Ca -0.06 -3.32 -0.19 0.00 0.00 0.00 0.00 44.72 41.15 2aqb s GLY 50 CO -0.01 1.94 0.87 0.54 0.00 0.00 0.00 173.10 176.43 2aqb s ASN 51 N 2.77 6.91 -0.19 1.64 4.22 -1.26 -1.90 114.94 127.14 2aqb s ASN 51 Ca 0.39 1.55 -0.29 0.00 -2.14 0.00 0.00 52.86 52.37 2aqb s ASN 51 Cb -0.04 -2.48 0.00 0.00 1.28 0.00 0.00 41.25 40.01 2aqb s ASN 51 CO -0.03 -0.28 1.02 -0.69 -2.04 0.00 0.00 177.10 175.08 2aqb s VAL 52 N -2.06 4.73 -1.07 3.54 1.01 -1.26 -4.16 120.40 121.13 2aqb s VAL 52 Ca 0.58 2.01 -0.03 0.00 0.00 0.00 0.00 61.98 64.54 2aqb s VAL 52 Cb -0.10 -4.30 0.31 0.00 0.00 0.00 0.00 36.38 32.29 2aqb s VAL 52 CO 0.15 -0.11 1.61 0.29 0.00 0.00 0.00 175.10 177.05 2aqb n LYS 53 N 5.82 4.78 -3.75 2.72 5.02 -1.26 -4.93 118.16 126.56 2aqb n LYS 53 Ca 0.10 -4.56 -0.13 0.00 -2.02 0.00 0.00 58.31 51.70 2aqb n LYS 53 Cb 0.47 -2.51 -0.14 0.00 -0.02 0.00 0.00 35.03 32.83 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 -3.22 0.75 -0.61 -0.35 2.96 -1.26 -4.95 118.68 112.00 2aqb s LEU 54 Ca 0.34 0.32 -0.26 0.00 -0.22 0.00 0.00 54.13 54.30 2aqb s LEU 54 Cb 0.10 0.40 0.04 0.00 0.50 0.00 0.00 46.19 47.23 2aqb s LEU 54 CO 0.03 -0.14 1.13 -0.62 -1.32 0.00 0.00 176.35 175.43 2aqb s ASP 55 N 1.09 6.34 0.00 3.68 3.68 -1.26 -4.87 116.67 125.33 2aqb s ASP 55 Ca -0.08 -0.21 0.30 0.00 2.13 0.00 0.00 52.55 54.69 2aqb s ASP 55 Cb -0.11 -2.51 1.50 0.00 -1.45 0.00 0.00 42.92 40.35 2aqb s ASP 55 CO -0.06 -1.49 2.00 0.35 0.13 0.00 0.00 175.17 176.11 2aqb n THR 56 N 6.43 0.00 -1.69 1.71 -2.24 -1.26 -4.88 114.28 112.36 2aqb n THR 56 Ca 0.05 -0.08 -0.44 0.00 -2.27 0.00 0.00 64.05 61.30 2aqb n THR 56 Cb 0.48 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 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 -0.67 0.26 -0.94 4.28 -1.04 -1.26 -1.95 114.28 112.95 2aqb n THR 57 Ca 0.20 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 2aqb n THR 57 Cb 0.22 -1.89 0.00 0.00 -1.82 0.00 0.00 70.33 66.84 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 3.99 0.63 0.09 3.41 0.00 -1.26 -4.88 105.19 107.17 2aqb n GLY 58 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 2aqb n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2aqb n LEU 59 N 0.00 0.78 -4.00 0.99 4.32 -0.82 -4.80 117.00 113.46 2aqb n LEU 59 Ca 0.00 0.48 -0.19 0.00 -0.02 0.00 0.00 56.01 56.29 2aqb n LEU 59 Cb 0.04 -0.29 -0.15 0.00 -1.62 0.00 0.00 43.42 41.41 2aqb n LEU 59 CO 0.00 -0.15 -0.43 -0.63 -1.22 0.00 0.00 177.39 174.96 2aqb s ILE 60 N -3.12 0.69 0.25 -0.08 1.01 -1.26 -5.08 121.20 113.62 2aqb s ILE 60 Ca 0.10 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.09 2aqb s ILE 60 Cb 0.13 -0.59 -0.14 0.00 0.01 0.00 0.00 42.46 41.87 2aqb s ILE 60 CO 0.63 0.20 1.26 0.47 0.00 0.00 0.00 174.94 177.50 2aqb n ASP 61 N 3.04 2.18 -0.34 3.58 8.00 -1.26 -4.73 116.55 127.02 2aqb n ASP 61 Ca -0.15 1.16 0.12 0.00 0.71 0.00 0.00 54.79 56.63 2aqb n ASP 61 Cb 0.56 -1.37 0.30 0.00 -0.02 0.00 0.00 41.12 40.60 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 3.30 0.69 0.00 -1.24 2.43 -1.98 -0.59 114.38 117.00 2aqb h ARG 62 Ca -0.44 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 2aqb h ARG 62 Cb 1.30 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2aqb h ARG 62 CO 0.69 0.45 -0.02 0.87 -1.51 0.00 0.00 179.97 180.46 2aqb h LYS 63 N 0.71 0.00 0.00 0.20 1.79 -2.01 -2.36 116.57 114.90 2aqb h LYS 63 Ca 0.56 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.65 2aqb h LYS 63 Cb 0.87 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.45 2aqb h LYS 63 CO -0.39 0.02 -2.44 1.33 -1.08 0.00 0.00 179.45 176.88 2aqb n VAL 64 N -3.11 1.45 0.21 0.50 0.24 -0.63 -4.52 118.33 112.46 2aqb n VAL 64 Ca 0.01 -0.67 0.09 0.00 -2.04 0.00 0.00 64.34 61.72 2aqb n VAL 64 Cb 0.36 -1.07 0.43 0.00 -1.47 0.00 0.00 33.84 32.10 2aqb n VAL 64 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 2aqb h VAL 65 N 0.00 0.67 0.00 3.34 3.04 -1.14 -2.99 116.25 119.18 2aqb h VAL 65 Ca -0.57 -1.22 0.00 0.00 -1.01 0.00 0.00 66.70 63.90 2aqb h VAL 65 Cb 2.02 1.79 0.00 0.00 -2.01 0.00 0.00 31.29 33.10 2aqb h VAL 65 CO -0.05 0.27 0.00 0.08 -1.01 0.00 0.00 177.57 176.86 2aqb h ARG 66 N 0.00 0.00 -0.00 4.17 0.11 -1.65 -0.94 114.38 116.06 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 0.77 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.85 2aqb h ARG 66 CO 0.04 0.00 -0.49 1.19 0.10 0.00 0.00 179.97 180.80 2aqb n PHE 67 N -2.92 0.00 -4.05 4.08 3.72 -1.13 -4.86 117.46 112.30 2aqb n PHE 67 Ca -0.03 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.01 2aqb n PHE 67 Cb 0.07 -0.13 -0.07 0.00 -0.94 0.00 0.00 39.48 38.41 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 -2.75 3.27 0.69 -1.08 -1.94 -0.36 -2.98 119.30 114.15 2aqb s MET 68 Ca 0.16 -0.25 0.00 0.00 -1.71 0.00 0.00 55.69 53.90 2aqb s MET 68 Cb 0.18 -3.04 0.11 0.00 2.01 0.00 0.00 34.83 34.09 2aqb s MET 68 CO 0.65 0.74 0.95 -1.54 -0.01 0.00 0.00 175.02 175.81 2aqb s SER 69 N -1.09 4.51 0.24 3.03 1.04 -1.26 -4.89 113.70 115.27 2aqb s SER 69 Ca 0.16 -0.38 -0.05 0.00 0.48 0.00 0.00 55.95 56.15 2aqb s SER 69 Cb -0.12 -0.06 0.31 0.00 0.10 0.00 0.00 66.02 66.25 2aqb s SER 69 CO 0.05 -1.74 1.88 0.44 0.98 0.00 0.00 173.24 174.84 2aqb h ASP 70 N -0.40 0.94 -0.47 7.02 3.45 -1.94 -1.69 116.42 123.33 2aqb h ASP 70 Ca -0.36 0.00 0.09 0.00 0.43 0.00 0.00 57.03 57.19 2aqb h ASP 70 Cb 1.27 -0.20 -0.07 0.00 -0.56 0.00 0.00 39.33 39.77 2aqb h ASP 70 CO 0.41 0.63 0.02 0.00 -1.57 0.00 0.00 179.24 178.73 2aqb h ALA 71 N 1.39 0.45 -0.68 3.45 0.00 -1.87 -0.11 119.26 121.88 2aqb h ALA 71 Ca 0.37 0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 2aqb h ALA 71 Cb 0.07 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2aqb h ALA 71 CO -0.14 -0.38 0.12 0.77 0.00 0.00 0.00 179.25 179.62 2aqb h SER 72 N 0.13 1.08 0.10 0.00 0.02 -1.79 -1.64 113.55 111.44 2aqb h SER 72 Ca 0.23 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2aqb h SER 72 Cb 0.34 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2aqb h SER 72 CO -0.37 1.06 -0.10 0.40 -1.14 0.00 0.00 176.83 176.68 2aqb h ILE 73 N 1.06 0.77 -0.72 3.27 2.04 -0.74 0.15 117.51 123.34 2aqb h ILE 73 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 2aqb h ILE 73 Cb 0.44 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 2aqb h ILE 73 CO 0.01 0.00 0.46 1.88 0.00 0.00 0.00 178.15 180.50 2aqb h TYR 74 N -0.22 0.93 -0.48 1.37 0.05 -0.98 -1.63 116.97 116.01 2aqb h TYR 74 Ca 0.00 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 2aqb h TYR 74 Cb 0.22 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.63 2aqb h TYR 74 CO -0.11 0.60 0.06 0.00 -1.05 0.00 0.00 178.16 177.66 2aqb h ALA 75 N 1.25 0.64 -0.04 3.88 0.00 -1.13 -2.16 119.26 121.69 2aqb h ALA 75 Ca 0.26 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.95 2aqb h ALA 75 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2aqb h ALA 75 CO -0.05 0.38 -0.06 0.35 0.00 0.00 0.00 179.25 179.87 2aqb h PHE 76 N 0.67 -0.14 -0.58 0.00 3.04 -0.43 -0.11 116.94 119.39 2aqb h PHE 76 Ca 0.14 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.08 2aqb h PHE 76 Cb 0.42 0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.97 2aqb h PHE 76 CO 0.03 -0.09 0.29 -0.07 -2.02 0.00 0.00 178.31 176.46 2aqb h LEU 77 N -0.08 0.75 -0.79 0.59 3.38 -1.31 -0.38 115.31 117.48 2aqb h LEU 77 Ca 0.04 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2aqb h LEU 77 Cb 0.13 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 2aqb h LEU 77 CO -0.09 0.66 0.48 0.28 0.09 0.00 0.00 178.44 179.86 2aqb h SER 78 N 0.79 0.76 -0.36 -0.43 0.02 -1.25 -2.08 113.55 111.00 2aqb h SER 78 Ca 0.20 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 2aqb h SER 78 Cb 0.09 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2aqb h SER 78 CO -0.03 0.50 -0.02 -0.03 -1.14 0.00 0.00 176.83 176.12 2aqb h MET 79 N 0.90 0.64 -0.65 3.45 1.85 -0.43 -1.18 114.93 119.51 2aqb h MET 79 Ca 0.34 -0.21 0.13 0.00 -0.61 0.00 0.00 59.70 59.34 2aqb h MET 79 Cb 0.12 -0.05 -0.09 0.00 0.43 0.00 0.00 31.60 32.00 2aqb h MET 79 CO -0.15 0.77 0.15 0.93 -0.40 0.00 0.00 176.91 178.20 2aqb h GLU 80 N 0.45 0.26 -0.50 0.39 5.08 -0.88 0.42 114.58 119.80 2aqb h GLU 80 Ca 0.10 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2aqb h GLU 80 Cb 0.49 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2aqb h GLU 80 CO 0.02 0.17 0.26 1.96 -1.00 0.00 0.00 179.01 180.42 2aqb h GLN 81 N 0.27 0.70 -0.66 2.33 4.20 -1.24 -2.55 115.11 118.16 2aqb h GLN 81 Ca 0.35 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.92 2aqb h GLN 81 Cb 0.55 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2aqb h GLN 81 CO -0.44 0.56 0.20 0.00 -0.67 0.00 0.00 178.83 178.48 2aqb h ALA 82 N 1.10 0.86 -0.65 3.87 0.00 -0.32 0.15 119.26 124.26 2aqb h ALA 82 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2aqb h ALA 82 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2aqb h ALA 82 CO -0.03 0.54 0.31 0.82 0.00 0.00 0.00 179.25 180.90 2aqb h ILE 83 N 0.95 1.22 -0.23 0.00 2.04 -0.92 0.13 117.51 120.71 2aqb h ILE 83 Ca 0.21 -0.62 -0.09 0.00 1.00 0.00 0.00 64.86 65.36 2aqb h ILE 83 Cb 0.31 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2aqb h ILE 83 CO -0.01 0.26 -0.22 0.00 0.00 0.00 0.00 178.15 178.18 2aqb h ALA 84 N 1.14 0.34 -0.77 1.87 0.00 -1.20 -1.95 119.26 118.70 2aqb h ALA 84 Ca 0.22 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2aqb h ALA 84 Cb 0.12 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2aqb h ALA 84 CO -0.03 0.29 0.48 0.22 0.00 0.00 0.00 179.25 180.22 2aqb h ASP 85 N 0.26 0.79 1.09 0.00 3.58 -0.57 -2.20 116.42 119.36 2aqb h ASP 85 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2aqb h ASP 85 Cb 0.77 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2aqb h ASP 85 CO 0.06 0.54 0.00 0.00 -2.88 0.00 0.00 179.24 176.95 2aqb h ALA 86 N 1.33 1.00 -2.14 -0.78 0.00 -0.69 -3.45 119.26 114.54 2aqb h ALA 86 Ca 0.31 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 55.03 2aqb h ALA 86 Cb 0.04 0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.86 2aqb h ALA 86 CO -0.12 0.00 -0.27 0.41 0.00 0.00 0.00 179.25 179.26 2aqb n GLY 87 N 0.32 0.09 3.62 0.00 0.00 -0.83 -4.74 105.19 103.65 2aqb n GLY 87 Ca 0.02 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.24 4.06 0.22 0.99 1.02 -0.77 -5.06 118.68 115.89 2aqb s LEU 88 Ca 0.11 0.55 -0.09 0.00 0.02 0.00 0.00 54.13 54.72 2aqb s LEU 88 Cb -0.05 -2.69 -0.07 0.00 0.02 0.00 0.00 46.19 43.40 2aqb s LEU 88 CO 0.14 -0.29 0.53 -0.94 0.02 0.00 0.00 176.35 175.80 2aqb s SER 89 N 1.52 6.61 0.37 2.29 1.04 -1.26 -4.76 113.70 119.51 2aqb s SER 89 Ca 0.22 0.88 0.12 0.00 0.48 0.00 0.00 55.95 57.66 2aqb s SER 89 Cb -0.16 -2.21 0.92 0.00 0.10 0.00 0.00 66.02 64.68 2aqb s SER 89 CO 0.09 -0.05 1.82 -0.65 0.98 0.00 0.00 173.24 175.42 2aqb h PRO 90 N 2.60 0.56 0.00 4.02 0.11 -1.98 0.11 132.00 137.42 2aqb h PRO 90 Ca -0.47 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 2aqb h PRO 90 Cb 1.17 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2aqb h PRO 90 CO 0.69 0.37 -0.14 1.05 -0.21 0.00 0.00 178.00 179.77 2aqb h GLU 91 N 0.58 0.00 0.07 1.05 9.09 -1.94 0.16 114.58 123.59 2aqb h GLU 91 Ca 0.52 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.77 2aqb h GLU 91 Cb 1.05 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.17 2aqb h GLU 91 CO -0.27 0.14 -0.67 0.00 0.05 0.00 0.00 179.01 178.26 2aqb h ALA 92 N 1.86 -0.02 0.00 1.06 0.00 -1.17 -3.41 119.26 117.58 2aqb h ALA 92 Ca -0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 2aqb h ALA 92 Cb 0.28 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2aqb h ALA 92 CO 0.02 0.34 -1.92 2.48 0.00 0.00 0.00 179.25 180.17 2aqb n TYR 93 N -4.20 0.00 -3.06 0.00 0.18 -0.99 -4.89 117.16 104.20 2aqb n TYR 93 Ca -0.12 0.00 -0.32 0.00 1.88 0.00 0.00 57.90 59.34 2aqb n TYR 93 Cb 0.73 -0.51 -0.05 0.00 -0.38 0.00 0.00 39.34 39.13 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 -3.14 3.94 -1.60 -3.48 -0.21 0.03 -4.06 119.66 111.14 2aqb s GLN 94 Ca -0.07 0.62 -0.12 0.00 0.02 0.00 0.00 55.36 55.80 2aqb s GLN 94 Cb 0.11 -2.42 0.10 0.00 1.00 0.00 0.00 33.01 31.80 2aqb s GLN 94 CO 0.77 0.10 0.67 0.09 -2.12 0.00 0.00 175.29 174.80 2aqb n ASN 95 N -0.62 -2.42 -3.94 5.90 3.02 -0.20 -4.87 115.26 112.13 2aqb n ASN 95 Ca 0.03 -1.00 -0.30 0.00 -0.03 0.00 0.00 54.58 53.28 2aqb n ASN 95 Cb 0.53 -2.89 -0.16 0.00 -0.61 0.00 0.00 39.78 36.66 2aqb n ASN 95 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2aqb s ASN 96 N -3.64 3.44 0.51 6.41 3.84 -1.26 -4.95 114.94 119.29 2aqb s ASN 96 Ca 0.50 -0.95 0.34 0.00 0.21 0.00 0.00 52.86 52.96 2aqb s ASN 96 Cb -0.27 -1.13 1.74 0.00 -0.55 0.00 0.00 41.25 41.04 2aqb s ASN 96 CO 0.91 -0.19 2.04 -0.65 -2.79 0.00 0.00 177.10 176.42 2aqb h PRO 97 N 8.00 0.00 -0.24 0.43 0.11 -1.93 -1.90 132.00 136.47 2aqb h PRO 97 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 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 0.43 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.76 2aqb n ARG 98 N -2.76 1.83 -4.28 1.05 5.12 -1.26 -3.91 116.66 112.45 2aqb n ARG 98 Ca -0.01 -1.27 -0.31 0.00 -1.93 0.00 0.00 57.85 54.33 2aqb n ARG 98 Cb 0.12 -1.38 -0.16 0.00 -1.16 0.00 0.00 32.46 29.88 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 -1.69 1.76 0.46 1.55 1.01 -0.72 0.18 120.40 122.96 2aqb s VAL 99 Ca 0.31 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2aqb s VAL 99 Cb 0.17 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 2aqb s VAL 99 CO 0.24 0.49 0.10 -0.83 0.00 0.00 0.00 175.10 175.10 2aqb s GLY 100 N 1.18 2.88 -0.11 4.51 0.00 0.19 -0.30 107.32 115.67 2aqb s GLY 100 Ca -0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 44.72 43.95 2aqb s GLY 100 CO -0.07 -1.97 0.22 -2.27 0.00 0.00 0.00 173.10 169.01 2aqb s LEU 101 N -3.73 -0.09 -0.25 0.66 1.98 0.16 -1.44 118.68 115.97 2aqb s LEU 101 Ca 0.14 0.49 -0.01 0.00 -2.89 0.00 0.00 54.13 51.87 2aqb s LEU 101 Cb 0.01 0.56 0.08 0.00 0.66 0.00 0.00 46.19 47.50 2aqb s LEU 101 CO 0.10 -0.23 0.03 -0.63 -1.89 0.00 0.00 176.35 173.73 2aqb s ILE 102 N 2.17 1.03 -0.17 6.68 1.01 -0.12 -2.78 121.20 129.01 2aqb s ILE 102 Ca -0.00 -1.14 -0.16 0.00 0.00 0.00 0.00 60.65 59.35 2aqb s ILE 102 Cb -0.12 -1.56 0.04 0.00 0.01 0.00 0.00 42.46 40.84 2aqb s ILE 102 CO -0.08 -0.37 0.46 0.00 0.00 0.00 0.00 174.94 174.96 2aqb s ALA 103 N 1.59 -1.13 0.18 9.38 0.00 -1.13 -2.11 121.76 128.54 2aqb s ALA 103 Ca 0.02 1.26 0.01 0.00 0.00 0.00 0.00 51.96 53.26 2aqb s ALA 103 Cb -0.18 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.22 2aqb s ALA 103 CO -0.14 -0.22 0.21 0.41 0.00 0.00 0.00 175.76 176.03 2aqb n GLY 104 N 2.75 2.97 3.21 0.00 0.00 -1.08 -3.35 105.19 109.68 2aqb n GLY 104 Ca -0.14 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.20 1.51 0.16 1.61 1.04 -1.26 -1.68 113.70 112.88 2aqb s SER 105 Ca 0.18 -0.99 -0.09 0.00 0.48 0.00 0.00 55.95 55.53 2aqb s SER 105 Cb 0.00 0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2aqb s SER 105 CO 0.13 -0.37 1.49 1.23 0.98 0.00 0.00 173.24 176.69 2aqb h GLY 106 N 2.93 0.93 0.00 7.32 0.00 -1.81 -3.40 103.07 109.04 2aqb h GLY 106 Ca -0.36 -0.98 0.00 0.00 0.00 0.00 0.00 47.33 45.99 2aqb h GLY 106 CO 0.63 0.88 0.00 0.61 0.00 0.00 0.00 176.54 178.66 2aqb n GLY 107 N 0.15 -0.45 7.00 4.60 0.00 -1.26 -4.71 105.19 110.51 2aqb n GLY 107 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.11 3.13 2.49 -0.02 0.00 -1.26 -3.94 105.19 105.48 2aqb n GLY 108 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 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 2.54 0.35 1.61 0.15 -1.25 -4.68 113.70 108.43 2aqb s SER 109 Ca 0.00 -2.23 0.10 0.00 0.70 0.00 0.00 55.95 54.53 2aqb s SER 109 Cb 0.00 -0.28 0.86 0.00 -1.71 0.00 0.00 66.02 64.89 2aqb s SER 109 CO 0.00 -0.29 1.83 -0.65 1.20 0.00 0.00 173.24 175.34 2aqb h PRO 110 N 6.84 0.63 -0.20 5.44 0.11 -1.91 -1.60 132.00 141.31 2aqb h PRO 110 Ca 0.09 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 66.18 2aqb h PRO 110 Cb 0.97 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 2aqb h PRO 110 CO 0.27 0.42 0.04 -0.09 -0.21 0.00 0.00 178.00 178.42 2aqb h ARG 111 N 0.65 0.12 0.00 1.05 2.43 -1.93 -0.32 114.38 116.37 2aqb h ARG 111 Ca 0.50 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.48 2aqb h ARG 111 Cb 0.90 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 2aqb h ARG 111 CO -0.25 0.08 -0.88 0.74 -1.51 0.00 0.00 179.97 178.14 2aqb h PHE 112 N 0.12 0.00 -0.56 2.20 -1.00 -1.89 0.42 116.94 116.24 2aqb h PHE 112 Ca 0.09 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 2aqb h PHE 112 Cb 0.08 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 2aqb h PHE 112 CO -0.14 0.88 0.32 0.37 -1.61 0.00 0.00 178.31 178.13 2aqb h GLN 113 N 0.00 0.77 -0.40 1.51 5.75 -1.22 -0.55 115.11 120.96 2aqb h GLN 113 Ca -0.01 -0.08 -0.14 0.00 -0.15 0.00 0.00 58.65 58.27 2aqb h GLN 113 Cb 1.68 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 30.06 2aqb h GLN 113 CO 0.11 0.58 -0.28 0.28 -2.65 0.00 0.00 178.83 176.87 2aqb h VAL 114 N 0.75 1.28 -0.56 2.39 2.07 -1.00 -2.23 116.25 118.95 2aqb h VAL 114 Ca 0.20 -1.45 0.06 0.00 0.82 0.00 0.00 66.70 66.33 2aqb h VAL 114 Cb 0.02 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 2aqb h VAL 114 CO -0.03 0.49 0.27 0.15 0.02 0.00 0.00 177.57 178.46 2aqb h PHE 115 N 0.73 0.49 -0.25 1.57 3.57 -0.75 -0.38 116.94 121.92 2aqb h PHE 115 Ca 0.08 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.62 2aqb h PHE 115 Cb 0.86 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 2aqb h PHE 115 CO 0.06 0.21 0.12 0.78 -2.23 0.00 0.00 178.31 177.26 2aqb h GLY 116 N 0.51 0.33 0.91 2.40 0.00 -1.02 -0.89 103.07 105.30 2aqb h GLY 116 Ca 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 2aqb h GLY 116 CO -0.20 0.08 0.10 0.00 0.00 0.00 0.00 176.54 176.51 2aqb h ALA 117 N 1.12 0.30 -0.95 3.60 0.00 -1.12 -1.45 119.26 120.76 2aqb h ALA 117 Ca 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2aqb h ALA 117 Cb 0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 2aqb h ALA 117 CO -0.07 -0.12 0.63 -0.44 0.00 0.00 0.00 179.25 179.26 2aqb h ASP 118 N 0.23 1.09 -0.22 0.00 3.45 -0.99 -2.26 116.42 117.72 2aqb h ASP 118 Ca 0.08 -0.03 -0.08 0.00 0.43 0.00 0.00 57.03 57.43 2aqb h ASP 118 Cb 0.16 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 38.65 2aqb h ASP 118 CO -0.01 0.79 -0.18 0.00 -1.57 0.00 0.00 179.24 178.26 2aqb h ALA 119 N 1.35 0.32 -0.66 3.45 0.00 -1.09 -3.07 119.26 119.57 2aqb h ALA 119 Ca 0.35 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2aqb h ALA 119 Cb -0.14 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2aqb h ALA 119 CO -0.08 0.24 0.43 1.98 0.00 0.00 0.00 179.25 181.82 2aqb h MET 120 N 0.20 0.82 0.00 0.00 1.85 -1.10 -2.05 114.93 114.65 2aqb h MET 120 Ca 0.04 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2aqb h MET 120 Cb 0.72 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 32.57 2aqb h MET 120 CO 0.05 0.54 0.00 0.54 -0.40 0.00 0.00 176.91 177.64 2aqb n ARG 121 N -4.45 0.25 -1.65 0.39 1.74 -0.86 -4.18 116.66 107.90 2aqb n ARG 121 Ca 0.07 0.29 -0.30 0.00 -0.77 0.00 0.00 57.85 57.14 2aqb n ARG 121 Cb 0.08 -1.84 0.19 0.00 -1.02 0.00 0.00 32.46 29.87 2aqb n ARG 121 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2aqb s GLY 122 N -3.59 1.69 0.48 -0.13 0.00 -0.77 -4.97 107.32 100.03 2aqb s GLY 122 Ca 0.09 -1.02 0.20 0.00 0.00 0.00 0.00 44.72 43.98 2aqb s GLY 122 CO 0.54 -0.26 2.04 -0.56 0.00 0.00 0.00 173.10 174.86 2aqb h PRO 123 N -1.85 0.00 0.00 2.90 0.13 -1.88 -2.91 132.00 128.39 2aqb h PRO 123 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2aqb h PRO 123 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2aqb h PRO 123 CO 0.41 0.14 -0.36 0.54 -0.23 0.00 0.00 178.00 178.51 2aqb n ARG 124 N -4.08 0.27 0.00 0.86 1.74 -1.26 -4.99 116.66 109.20 2aqb n ARG 124 Ca -0.02 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2aqb n ARG 124 Cb 0.23 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 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 1.33 3.36 0.36 -0.13 0.00 -1.10 -2.35 105.19 106.66 2aqb n GLY 125 Ca 0.04 0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.35 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 0.71 -1.22 0.99 4.07 -1.87 -0.85 115.31 117.14 2aqb h LEU 126 Ca 0.00 0.10 -0.04 0.00 0.08 0.00 0.00 57.88 58.03 2aqb h LEU 126 Cb 0.00 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 2aqb h LEU 126 CO 0.00 0.21 0.14 0.11 -1.08 0.00 0.00 178.44 177.81 2aqb h LYS 127 N 0.67 0.68 -0.00 1.13 1.57 -1.86 -2.59 116.57 116.16 2aqb h LYS 127 Ca 0.59 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 59.12 2aqb h LYS 127 Cb 1.05 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 2aqb h LYS 127 CO -0.39 0.60 -0.68 0.00 -0.57 0.00 0.00 179.45 178.41 2aqb h ALA 128 N 1.49 0.87 -0.09 3.86 0.00 -1.27 -3.29 119.26 120.83 2aqb h ALA 128 Ca 0.15 -0.61 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2aqb h ALA 128 Cb 0.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2aqb h ALA 128 CO -0.01 0.84 -0.12 0.28 0.00 0.00 0.00 179.25 180.24 2aqb h VAL 129 N 0.01 1.38 -0.45 0.00 2.07 -1.25 -3.48 116.25 114.55 2aqb h VAL 129 Ca -0.01 -1.35 0.05 0.00 0.82 0.00 0.00 66.70 66.21 2aqb h VAL 129 Cb 1.20 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 2aqb h VAL 129 CO 0.09 0.38 -0.10 0.61 0.02 0.00 0.00 177.57 178.57 2aqb n GLY 130 N 0.32 -1.72 0.80 2.17 0.00 -1.04 -4.67 105.19 101.05 2aqb n GLY 130 Ca -0.07 -1.47 0.09 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.15 2.03 0.00 1.61 -0.04 -1.26 -4.38 135.00 130.81 2aqb n PRO 131 Ca -0.00 -1.57 0.06 0.00 -0.04 0.00 0.00 63.50 61.95 2aqb n PRO 131 Cb 0.09 -1.40 0.05 0.00 -0.04 0.00 0.00 33.50 32.20 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 0.78 0.00 0.03 0.54 4.01 -1.26 -4.67 117.16 116.59 2aqb n TYR 132 Ca 0.16 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.84 2aqb n TYR 132 Cb 0.41 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.55 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 2.42 1.33 -0.25 -0.72 2.07 -1.84 -3.20 116.25 116.06 2aqb h VAL 133 Ca 0.00 -1.73 0.03 0.00 0.82 0.00 0.00 66.70 65.83 2aqb h VAL 133 Cb 0.52 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 2aqb h VAL 133 CO 0.00 0.53 0.04 0.58 0.02 0.00 0.00 177.57 178.75 2aqb h VAL 134 N 0.36 0.88 0.00 2.57 2.07 -1.92 0.17 116.25 120.37 2aqb h VAL 134 Ca 0.02 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 2aqb h VAL 134 Cb 1.00 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2aqb h VAL 134 CO 0.09 0.03 -0.26 0.71 0.02 0.00 0.00 177.57 178.15 2aqb h THR 135 N 0.14 0.61 0.04 2.57 1.35 -1.81 0.91 112.91 116.72 2aqb h THR 135 Ca 0.11 -1.24 -0.16 0.00 -0.55 0.00 0.00 66.41 64.57 2aqb h THR 135 Cb 0.12 1.83 0.01 0.00 -1.73 0.00 0.00 68.15 68.39 2aqb h THR 135 CO -0.16 0.25 -0.66 0.11 -0.25 0.00 0.00 175.52 174.82 2aqb h LYS 136 N 0.00 0.39 0.00 4.72 1.57 -1.36 -3.39 116.57 118.49 2aqb h LYS 136 Ca -0.00 -0.46 -0.21 0.00 -1.87 0.00 0.00 60.65 58.11 2aqb h LYS 136 Cb 0.81 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 2aqb h LYS 136 CO 0.03 1.14 -1.20 0.00 -0.57 0.00 0.00 179.45 178.85 2aqb h ALA 137 N 0.26 0.59 -2.89 3.86 0.00 -0.51 -3.35 119.26 117.22 2aqb h ALA 137 Ca -0.09 -0.99 -0.53 0.00 0.00 0.00 0.00 54.91 53.30 2aqb h ALA 137 Cb 1.40 0.13 0.12 0.00 0.00 0.00 0.00 17.79 19.44 2aqb h ALA 137 CO 0.13 1.18 0.51 0.00 0.00 0.00 0.00 179.25 181.07 2aqb s MET 138 N -2.76 3.04 0.48 0.00 0.23 0.30 -3.80 119.30 116.79 2aqb s MET 138 Ca -0.01 1.94 0.20 0.00 -1.03 0.00 0.00 55.69 56.79 2aqb s MET 138 Cb 0.09 -2.04 1.19 0.00 -1.53 0.00 0.00 34.83 32.53 2aqb s MET 138 CO 0.81 -1.18 2.02 0.00 -2.03 0.00 0.00 175.02 174.64 2aqb h ALA 139 N 1.09 1.50 -0.31 3.16 0.00 -1.91 -2.02 119.26 120.76 2aqb h ALA 139 Ca -0.50 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2aqb h ALA 139 Cb 1.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2aqb h ALA 139 CO 0.56 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.89 2aqb n SER 140 N -4.01 2.11 -0.24 0.00 3.41 -1.26 -4.52 113.62 109.11 2aqb n SER 140 Ca -0.02 -2.10 0.05 0.00 -0.26 0.00 0.00 58.87 56.53 2aqb n SER 140 Cb 0.25 -0.31 0.17 0.00 -0.26 0.00 0.00 64.21 64.06 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 5.10 1.01 0.99 5.00 0.00 -1.59 -0.92 103.07 112.67 2aqb h GLY 141 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2aqb h GLY 141 CO 0.06 -0.17 0.31 -2.08 0.00 0.00 0.00 176.54 174.65 2aqb h VAL 142 N 0.30 1.16 -0.08 4.60 2.07 -1.84 -0.39 116.25 122.06 2aqb h VAL 142 Ca 0.40 -0.36 -0.09 0.00 0.82 0.00 0.00 66.70 67.47 2aqb h VAL 142 Cb 0.66 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2aqb h VAL 142 CO -0.48 0.16 -0.31 0.77 0.02 0.00 0.00 177.57 177.73 2aqb h SER 143 N 0.70 0.42 -0.50 0.57 4.64 -1.49 -3.26 113.55 114.62 2aqb h SER 143 Ca 0.19 -0.63 0.01 0.00 -0.47 0.00 0.00 61.79 60.88 2aqb h SER 143 Cb -0.01 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 2aqb h SER 143 CO -0.03 0.98 0.33 0.00 -0.87 0.00 0.00 176.83 177.23 2aqb h ALA 144 N 0.45 0.64 0.00 5.18 0.00 -1.04 -0.54 119.26 123.95 2aqb h ALA 144 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2aqb h ALA 144 Cb 0.95 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2aqb h ALA 144 CO 0.07 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2aqb n LEU 146 N -2.06 2.44 -0.03 0.00 4.77 -1.04 -4.47 117.00 116.62 2aqb n LEU 146 Ca 0.03 -0.07 0.01 0.00 -0.03 0.00 0.00 56.01 55.95 2aqb n LEU 146 Cb 0.27 -0.42 0.31 0.00 -2.33 0.00 0.00 43.42 41.25 2aqb n LEU 146 CO 0.21 0.70 1.01 0.00 -1.33 0.00 0.00 177.39 177.99 2aqb h ALA 147 N 0.12 1.44 0.44 -1.18 0.00 -1.16 -2.39 119.26 116.52 2aqb h ALA 147 Ca -0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2aqb h ALA 147 Cb 1.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2aqb h ALA 147 CO -0.04 0.41 -0.21 1.15 0.00 0.00 0.00 179.25 180.56 2aqb h THR 148 N 0.58 0.00 -0.17 0.00 2.02 -1.81 -0.86 112.91 112.68 2aqb h THR 148 Ca 0.14 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.96 2aqb h THR 148 Cb 0.20 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.60 2aqb h THR 148 CO -0.01 0.00 -0.19 1.55 0.37 0.00 0.00 175.52 177.24 2aqb h PRO 149 N -0.89 0.28 0.00 6.66 0.13 -1.78 -1.90 132.00 134.51 2aqb h PRO 149 Ca -0.06 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 2aqb h PRO 149 Cb 0.46 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.56 2aqb h PRO 149 CO 0.10 0.47 0.00 1.19 -0.23 0.00 0.00 178.00 179.53 2aqb n PHE 150 N -4.21 0.00 -3.45 1.56 3.72 -0.90 -4.93 117.46 109.25 2aqb n PHE 150 Ca -0.01 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.19 2aqb n PHE 150 Cb 0.32 -0.08 0.08 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.08 -6.98 -2.48 -1.08 5.02 -0.71 -4.63 118.16 106.21 2aqb n LYS 151 Ca 0.21 0.78 -0.42 0.00 -2.02 0.00 0.00 58.31 56.87 2aqb n LYS 151 Cb 0.15 -5.65 -0.03 0.00 -0.02 0.00 0.00 35.03 29.47 2aqb n LYS 151 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2aqb s ILE 152 N -3.31 4.03 -0.14 -0.18 -1.09 -0.36 -1.03 121.20 119.12 2aqb s ILE 152 Ca 0.34 1.57 0.10 0.00 -2.23 0.00 0.00 60.65 60.44 2aqb s ILE 152 Cb -0.15 -4.00 -0.15 0.00 -1.58 0.00 0.00 42.46 36.58 2aqb s ILE 152 CO 0.68 0.18 0.28 1.41 -1.23 0.00 0.00 174.94 176.27 2aqb n HIS 153 N 3.28 0.00 -0.04 3.97 8.25 -1.24 -4.88 115.22 124.57 2aqb n HIS 153 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2aqb n HIS 153 Cb 0.47 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 1.73 0.97 3.75 -1.41 0.00 0.59 -4.67 105.19 106.14 2aqb n GLY 154 Ca -0.01 -1.44 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 2aqb n GLY 154 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2aqb n VAL 155 N 0.00 3.22 -3.34 1.61 0.24 -1.26 -4.81 118.33 113.98 2aqb n VAL 155 Ca 0.00 -0.50 -0.12 0.00 -2.04 0.00 0.00 64.34 61.68 2aqb n VAL 155 Cb 0.00 -1.76 -0.07 0.00 -1.47 0.00 0.00 33.84 30.54 2aqb n VAL 155 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2aqb s ASN 156 N -0.65 0.89 0.20 -1.34 2.47 -1.24 0.40 114.94 115.67 2aqb s ASN 156 Ca 0.65 -0.65 -0.23 0.00 0.42 0.00 0.00 52.86 53.06 2aqb s ASN 156 Cb -0.44 0.86 0.06 0.00 -1.45 0.00 0.00 41.25 40.28 2aqb s ASN 156 CO 0.54 -0.35 0.93 -0.72 -3.72 0.00 0.00 177.10 173.78 2aqb s TYR 157 N 2.35 -0.06 -0.11 0.43 -0.85 -1.12 -5.01 117.35 112.98 2aqb s TYR 157 Ca 0.10 -0.33 -0.01 0.00 -0.52 0.00 0.00 57.07 56.31 2aqb s TYR 157 Cb -0.13 0.69 -0.02 0.00 0.38 0.00 0.00 41.96 42.87 2aqb s TYR 157 CO -0.28 -0.99 -0.09 -1.12 -1.52 0.00 0.00 175.55 171.55 2aqb s SER 158 N -3.07 4.41 -0.02 -0.18 0.01 -1.26 -2.85 113.70 110.74 2aqb s SER 158 Ca 0.15 -0.17 -0.15 0.00 1.31 0.00 0.00 55.95 57.08 2aqb s SER 158 Cb -0.03 -1.46 -0.05 0.00 0.21 0.00 0.00 66.02 64.69 2aqb s SER 158 CO 0.05 0.24 0.41 -0.63 0.41 0.00 0.00 173.24 173.71 2aqb s ILE 159 N -0.07 5.06 -0.03 1.44 -1.09 -1.26 -4.94 121.20 120.31 2aqb s ILE 159 Ca -0.00 0.84 0.03 0.00 -2.23 0.00 0.00 60.65 59.29 2aqb s ILE 159 Cb -0.14 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 2aqb s ILE 159 CO 0.03 0.54 -0.13 -0.55 -1.23 0.00 0.00 174.94 173.60 2aqb s SER 160 N -0.77 1.68 -0.39 3.58 0.15 -1.26 -4.09 113.70 112.60 2aqb s SER 160 Ca 0.24 -0.27 0.09 0.00 0.70 0.00 0.00 55.95 56.71 2aqb s SER 160 Cb -0.16 -0.46 0.38 0.00 -1.71 0.00 0.00 66.02 64.07 2aqb s SER 160 CO 0.12 0.11 1.36 -1.54 1.20 0.00 0.00 173.24 174.49 2aqb n SER 161 N 3.22 -1.85 0.00 5.45 3.41 -1.26 -4.93 113.62 117.66 2aqb n SER 161 Ca -0.18 -2.41 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 2aqb n SER 161 Cb 0.54 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.48 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 -0.66 0.00 0.31 7.33 0.00 -1.26 -1.47 120.51 124.76 2aqb n ALA 162 Ca -0.05 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.45 2aqb n ALA 162 Cb 0.84 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.55 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 -1.56 2.48 -0.08 0.00 0.00 -0.54 -4.38 120.51 116.42 2aqb n ALA 164 Ca 0.02 -0.67 -0.06 0.00 0.00 0.00 0.00 53.44 52.73 2aqb n ALA 164 Cb 0.12 -0.73 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 2aqb n ALA 164 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2aqb h THR 165 N 4.21 0.58 0.00 0.00 1.35 -1.42 -1.68 112.91 115.95 2aqb h THR 165 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2aqb h THR 165 Cb 0.90 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 2aqb h THR 165 CO 0.00 0.00 -0.05 0.77 -0.25 0.00 0.00 175.52 175.99 2aqb h SER 166 N -0.07 0.00 -0.28 5.36 4.64 -1.79 -1.65 113.55 119.77 2aqb h SER 166 Ca 0.16 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 2aqb h SER 166 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 2aqb h SER 166 CO -0.37 0.00 -0.00 0.00 -0.87 0.00 0.00 176.83 175.59 2aqb h ALA 167 N 2.01 0.37 -0.05 5.18 0.00 -1.63 -2.24 119.26 122.91 2aqb h ALA 167 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2aqb h ALA 167 Cb 0.99 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2aqb h ALA 167 CO 0.00 0.12 -0.25 0.45 0.00 0.00 0.00 179.25 179.57 2aqb h HIS 168 N 0.28 0.09 -0.14 0.00 -0.00 -1.16 -1.93 115.15 112.28 2aqb h HIS 168 Ca 0.08 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2aqb h HIS 168 Cb 0.43 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.81 2aqb h HIS 168 CO 0.04 0.33 0.08 0.00 -0.00 0.00 0.00 177.93 178.38 2aqb h ILE 170 N 0.14 1.19 -0.46 0.00 2.04 -1.19 -1.45 117.51 117.77 2aqb h ILE 170 Ca 0.05 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 2aqb h ILE 170 Cb 0.06 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 2aqb h ILE 170 CO -0.01 0.20 0.20 1.23 0.00 0.00 0.00 178.15 179.78 2aqb h GLY 171 N 0.77 0.72 0.90 5.37 0.00 -1.25 -1.09 103.07 108.50 2aqb h GLY 171 Ca 0.20 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.18 2aqb h GLY 171 CO -0.03 0.36 0.43 -0.57 0.00 0.00 0.00 176.54 176.72 2aqb h ASN 172 N 0.60 0.71 -0.34 0.19 -1.24 -1.07 -1.15 115.58 113.28 2aqb h ASN 172 Ca 0.16 -0.00 0.05 0.00 0.71 0.00 0.00 56.30 57.21 2aqb h ASN 172 Cb 0.16 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 2aqb h ASN 172 CO -0.02 0.50 0.08 0.00 -1.29 0.00 0.00 177.43 176.71 2aqb h ALA 173 N 1.28 0.37 -0.51 1.57 0.00 -0.93 -1.25 119.26 119.78 2aqb h ALA 173 Ca 0.27 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.29 2aqb h ALA 173 Cb -0.01 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2aqb h ALA 173 CO -0.09 -0.32 0.21 0.28 0.00 0.00 0.00 179.25 179.33 2aqb h VAL 174 N 0.21 0.87 -0.52 0.00 2.07 -0.82 -1.69 116.25 116.37 2aqb h VAL 174 Ca 0.16 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2aqb h VAL 174 Cb 0.16 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 2aqb h VAL 174 CO -0.19 0.08 0.35 -0.33 0.02 0.00 0.00 177.57 177.49 2aqb h GLU 175 N 0.41 0.39 -0.59 1.57 5.08 -0.61 -0.44 114.58 120.40 2aqb h GLU 175 Ca 0.24 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2aqb h GLU 175 Cb 0.22 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2aqb h GLU 175 CO -0.21 0.26 0.07 1.96 -1.00 0.00 0.00 179.01 180.08 2aqb h GLN 176 N 0.40 0.96 -0.18 2.33 1.08 -0.31 0.01 115.11 119.40 2aqb h GLN 176 Ca 0.23 -0.25 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 2aqb h GLN 176 Cb 0.39 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2aqb h GLN 176 CO -0.06 0.91 -0.08 0.82 -0.95 0.00 0.00 178.83 179.47 2aqb h ILE 177 N 0.90 1.31 -0.61 2.54 5.03 -0.96 -1.11 117.51 124.61 2aqb h ILE 177 Ca 0.18 -1.12 -0.01 0.00 -0.12 0.00 0.00 64.86 63.79 2aqb h ILE 177 Cb 0.43 1.66 -0.03 0.00 -3.03 0.00 0.00 36.82 35.85 2aqb h ILE 177 CO 0.01 0.34 0.34 1.56 -0.68 0.00 0.00 178.15 179.72 2aqb h GLN 178 N 0.07 0.83 0.00 2.37 4.20 -0.90 -0.58 115.11 121.10 2aqb h GLN 178 Ca 0.04 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2aqb h GLN 178 Cb 0.55 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2aqb h GLN 178 CO 0.03 0.60 0.00 1.28 -0.67 0.00 0.00 178.83 180.07 2aqb n LEU 179 N -4.39 0.00 -0.57 1.46 4.77 -0.03 -4.58 117.00 113.65 2aqb n LEU 179 Ca 0.06 0.30 -0.07 0.00 -0.03 0.00 0.00 56.01 56.26 2aqb n LEU 179 Cb 0.09 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2aqb n LEU 179 CO 0.37 -0.07 -0.07 0.61 -1.33 0.00 0.00 177.39 176.90 2aqb n GLY 180 N 0.71 0.95 0.09 -0.72 0.00 -0.22 -4.92 105.19 101.08 2aqb n GLY 180 Ca 0.11 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 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 0.04 0.00 -3.87 1.61 1.57 -1.40 -3.48 116.57 111.05 2aqb h LYS 181 Ca -0.15 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.44 2aqb h LYS 181 Cb 0.51 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.58 2aqb h LYS 181 CO 0.22 0.37 -0.70 -0.65 -0.57 0.00 0.00 179.45 178.12 2aqb s GLN 182 N -2.84 0.20 -0.10 3.15 -1.52 -1.12 -4.73 119.66 112.69 2aqb s GLN 182 Ca -0.03 -0.36 0.05 0.00 -1.95 0.00 0.00 55.36 53.07 2aqb s GLN 182 Cb 0.08 0.07 -0.24 0.00 -0.22 0.00 0.00 33.01 32.70 2aqb s GLN 182 CO 0.81 -0.03 0.46 -0.25 -0.25 0.00 0.00 175.29 176.02 2aqb n ASP 183 N 2.17 1.37 -3.89 5.90 8.00 0.13 -4.24 116.55 125.98 2aqb n ASP 183 Ca -0.19 0.27 -0.17 0.00 0.71 0.00 0.00 54.79 55.41 2aqb n ASP 183 Cb 0.57 -0.32 -0.16 0.00 -0.02 0.00 0.00 41.12 41.19 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 -2.57 0.37 -0.09 0.53 1.01 -0.91 -0.63 121.20 118.90 2aqb s ILE 184 Ca -0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.41 2aqb s ILE 184 Cb 0.07 -0.38 0.03 0.00 0.01 0.00 0.00 42.46 42.18 2aqb s ILE 184 CO 0.79 0.16 -0.04 -0.69 0.00 0.00 0.00 174.94 175.15 2aqb s VAL 185 N 0.54 0.72 -0.11 2.92 1.01 0.33 -0.64 120.40 125.18 2aqb s VAL 185 Ca -0.06 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 2aqb s VAL 185 Cb -0.09 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2aqb s VAL 185 CO -0.00 0.31 1.31 -0.36 0.00 0.00 0.00 175.10 176.35 2aqb s PHE 186 N 1.74 2.83 -0.04 5.22 0.40 -0.52 -1.26 117.98 126.35 2aqb s PHE 186 Ca 0.03 0.94 0.05 0.00 -0.60 0.00 0.00 56.93 57.36 2aqb s PHE 186 Cb -0.13 -3.55 -0.01 0.00 0.51 0.00 0.00 43.02 39.85 2aqb s PHE 186 CO -0.06 -1.93 -0.19 0.00 0.70 0.00 0.00 175.22 173.74 2aqb s ALA 187 N 3.14 1.62 0.00 5.36 0.00 -0.35 -0.95 121.76 130.59 2aqb s ALA 187 Ca 0.58 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.77 2aqb s ALA 187 Cb -0.25 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2aqb s ALA 187 CO 0.19 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.69 2aqb n GLY 188 N 2.98 -0.76 0.00 0.00 0.00 -0.90 -0.67 105.19 105.85 2aqb n GLY 188 Ca -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.62 3.19 -0.02 0.00 -0.80 -2.65 105.19 105.54 2aqb n GLY 189 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.99 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 0.13 -0.13 -0.02 0.00 -0.68 -1.98 107.32 104.64 2aqb s GLY 190 Ca 0.00 -0.68 -0.08 0.00 0.00 0.00 0.00 44.72 43.96 2aqb s GLY 190 CO 0.00 -0.86 0.32 1.85 0.00 0.00 0.00 173.10 174.42 2aqb s GLU 191 N -3.87 0.31 0.68 2.90 2.56 -0.29 -4.11 118.70 116.88 2aqb s GLU 191 Ca 0.05 0.61 -0.11 0.00 0.00 0.00 0.00 54.97 55.52 2aqb s GLU 191 Cb 0.05 -0.02 -0.00 0.00 2.00 0.00 0.00 34.13 36.16 2aqb s GLU 191 CO -0.11 -0.14 1.07 -1.83 -0.56 0.00 0.00 175.26 173.69 2aqb s GLU 192 N 1.08 3.06 -0.19 4.30 -1.05 -1.26 -1.70 118.70 122.94 2aqb s GLU 192 Ca -0.07 0.68 0.01 0.00 -0.15 0.00 0.00 54.97 55.43 2aqb s GLU 192 Cb -0.08 -2.03 0.03 0.00 -0.44 0.00 0.00 34.13 31.61 2aqb s GLU 192 CO -0.08 -0.94 -0.16 -1.17 0.95 0.00 0.00 175.26 173.86 2aqb s LEU 193 N -5.37 2.26 -0.06 1.83 2.96 -1.26 -4.64 118.68 114.40 2aqb s LEU 193 Ca 0.57 -0.76 -0.30 0.00 -0.22 0.00 0.00 54.13 53.42 2aqb s LEU 193 Cb -0.12 -1.40 0.09 0.00 0.50 0.00 0.00 46.19 45.25 2aqb s LEU 193 CO 0.53 -0.06 0.76 0.00 -1.32 0.00 0.00 176.35 176.26 2aqb h TRP 195 N 2.77 0.42 -0.70 0.00 5.08 -1.97 -1.08 115.95 120.47 2aqb h TRP 195 Ca -0.25 -0.03 0.12 0.00 1.08 0.00 0.00 58.89 59.81 2aqb h TRP 195 Cb 1.16 -0.13 -0.09 0.00 -3.00 0.00 0.00 29.16 27.11 2aqb h TRP 195 CO 0.34 0.42 0.27 0.93 -1.28 0.00 0.00 178.44 179.13 2aqb h GLU 196 N 0.40 0.42 0.09 0.12 3.07 -1.96 0.07 114.58 116.79 2aqb h GLU 196 Ca 0.09 -0.03 -0.25 0.00 -0.50 0.00 0.00 59.36 58.68 2aqb h GLU 196 Cb 0.26 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 2aqb h GLU 196 CO 0.01 0.28 -1.28 1.98 -1.40 0.00 0.00 179.01 178.60 2aqb h MET 197 N 0.43 0.18 -0.91 2.33 4.05 -1.90 -3.40 114.93 115.72 2aqb h MET 197 Ca 0.37 -0.31 0.06 0.00 -0.28 0.00 0.00 59.70 59.54 2aqb h MET 197 Cb 0.52 0.12 -0.06 0.00 -0.80 0.00 0.00 31.60 31.38 2aqb h MET 197 CO -0.37 1.15 0.58 0.00 0.23 0.00 0.00 176.91 178.50 2aqb h ALA 198 N -0.11 1.25 -0.27 0.39 0.00 -0.86 -1.58 119.26 118.08 2aqb h ALA 198 Ca -0.29 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.68 2aqb h ALA 198 Cb 1.63 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2aqb h ALA 198 CO 0.01 0.35 0.21 0.00 0.00 0.00 0.00 179.25 179.82 2aqb h GLU 200 N 0.00 0.94 -0.10 0.00 5.08 -1.50 -0.22 114.58 118.79 2aqb h GLU 200 Ca 0.13 -0.17 -0.22 0.00 -1.00 0.00 0.00 59.36 58.10 2aqb h GLU 200 Cb 0.54 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.65 2aqb h GLU 200 CO -0.00 0.80 -0.81 0.74 -1.00 0.00 0.00 179.01 178.74 2aqb h PHE 201 N 0.88 0.85 -0.55 4.33 -1.00 -1.34 -3.00 116.94 117.12 2aqb h PHE 201 Ca 0.21 -0.39 0.03 0.00 2.81 0.00 0.00 57.97 60.63 2aqb h PHE 201 Cb 0.21 -0.12 -0.04 0.00 3.61 0.00 0.00 35.95 39.61 2aqb h PHE 201 CO 0.01 1.20 0.31 0.22 -1.61 0.00 0.00 178.31 178.44 2aqb h ASP 202 N 0.41 0.48 0.33 2.17 1.82 -1.29 -1.49 116.42 118.85 2aqb h ASP 202 Ca -0.06 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 2aqb h ASP 202 Cb 1.42 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 41.35 2aqb h ASP 202 CO 0.15 0.33 -0.06 0.00 -1.61 0.00 0.00 179.24 178.06 2aqb h ALA 203 N 1.26 1.21 -0.29 -0.78 0.00 -0.99 0.14 119.26 119.82 2aqb h ALA 203 Ca 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2aqb h ALA 203 Cb 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2aqb h ALA 203 CO -0.12 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.20 2aqb n MET 204 N -3.47 2.02 -1.66 0.00 0.00 -0.99 -4.96 117.12 108.06 2aqb n MET 204 Ca -0.02 -1.55 -0.08 0.00 0.00 0.00 0.00 57.70 56.06 2aqb n MET 204 Cb 0.19 -1.42 -0.02 0.00 0.00 0.00 0.00 33.22 31.97 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 1.26 0.53 0.15 3.17 0.00 0.49 -4.94 105.19 105.84 2aqb n GLY 205 Ca 0.17 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 0.17 0.66 -2.58 4.61 0.00 -1.46 -3.47 119.26 117.19 2aqb h ALA 206 Ca -0.17 -0.05 -0.55 0.00 0.00 0.00 0.00 54.91 54.15 2aqb h ALA 206 Cb 0.80 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2aqb h ALA 206 CO 0.22 0.05 -0.37 -0.51 0.00 0.00 0.00 179.25 178.64 2aqb s LEU 207 N -5.65 4.26 0.12 0.00 1.43 -1.26 -0.85 118.68 116.73 2aqb s LEU 207 Ca 0.02 0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 53.17 2aqb s LEU 207 Cb 0.08 -3.11 -0.07 0.00 0.03 0.00 0.00 46.19 43.12 2aqb s LEU 207 CO 0.76 0.00 1.26 -0.55 0.23 0.00 0.00 176.35 178.04 2aqb s SER 208 N -3.06 7.00 0.00 2.29 0.15 -0.60 -4.52 113.70 114.97 2aqb s SER 208 Ca 0.38 2.18 0.00 0.00 0.70 0.00 0.00 55.95 59.20 2aqb s SER 208 Cb -0.11 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2aqb s SER 208 CO 0.28 -0.50 0.00 0.35 1.20 0.00 0.00 173.24 174.58 2aqb n THR 209 N 3.49 0.00 1.25 6.45 -2.24 -1.26 -4.28 114.28 117.69 2aqb n THR 209 Ca 0.08 -0.22 0.13 0.00 -2.27 0.00 0.00 64.05 61.77 2aqb n THR 209 Cb 0.45 0.74 0.36 0.00 -2.10 0.00 0.00 70.33 69.78 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 -0.88 0.97 -0.51 -0.78 4.76 -1.26 -4.30 118.16 116.15 2aqb n LYS 210 Ca 0.00 -0.60 0.06 0.00 -2.87 0.00 0.00 58.31 54.91 2aqb n LYS 210 Cb 0.00 -1.49 0.13 0.00 -1.84 0.00 0.00 35.03 31.84 2aqb n LYS 210 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2aqb n TYR 211 N -0.49 0.00 0.29 2.13 4.02 -1.26 -4.82 117.16 117.03 2aqb n TYR 211 Ca 0.13 -1.00 0.16 0.00 -0.01 0.00 0.00 57.90 57.17 2aqb n TYR 211 Cb 0.36 -0.18 0.91 0.00 -0.02 0.00 0.00 39.34 40.41 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 0.51 0.00 0.90 7.72 2.35 -1.92 -1.21 115.58 123.93 2aqb h ASN 212 Ca -0.03 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.61 2aqb h ASN 212 Cb 1.17 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.52 2aqb h ASN 212 CO 0.01 0.03 -0.53 0.44 -1.65 0.00 0.00 177.43 175.73 2aqb h ASP 213 N 0.00 0.00 -2.47 5.81 3.32 -1.95 -3.37 116.42 117.76 2aqb h ASP 213 Ca -0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 2aqb h ASP 213 Cb 0.11 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.25 2aqb h ASP 213 CO 0.00 0.53 -0.78 0.35 -1.72 0.00 0.00 179.24 177.63 2aqb n THR 214 N -3.53 0.67 -0.34 0.35 -2.24 -0.46 -5.00 114.28 103.72 2aqb n THR 214 Ca -0.00 -4.44 0.06 0.00 -2.27 0.00 0.00 64.05 57.40 2aqb n THR 214 Cb 0.62 -1.99 0.22 0.00 -2.10 0.00 0.00 70.33 67.09 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 4.87 0.86 0.00 -0.78 0.11 -1.72 -1.61 132.00 133.73 2aqb h PRO 215 Ca 0.18 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2aqb h PRO 215 Cb 0.79 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2aqb h PRO 215 CO 0.61 0.57 0.00 0.39 -0.21 0.00 0.00 178.00 179.36 2aqb n GLU 216 N -4.69 0.12 -0.03 1.05 1.02 -1.26 -2.20 120.64 114.65 2aqb n GLU 216 Ca 0.18 0.46 0.08 0.00 -0.02 0.00 0.00 57.16 57.86 2aqb n GLU 216 Cb 0.36 -1.79 0.08 0.00 -0.02 0.00 0.00 31.44 30.07 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 -2.03 1.39 -0.07 3.49 5.02 -0.61 -4.62 118.16 120.74 2aqb n LYS 217 Ca 0.01 -1.55 -0.15 0.00 -2.02 0.00 0.00 58.31 54.61 2aqb n LYS 217 Cb 0.14 -1.31 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 2aqb n LYS 217 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2aqb h ALA 218 N 3.07 0.38 -2.13 7.82 0.00 -1.46 -3.40 119.26 123.54 2aqb h ALA 218 Ca 0.00 -0.49 -0.61 0.00 0.00 0.00 0.00 54.91 53.80 2aqb h ALA 218 Cb 0.68 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 2aqb h ALA 218 CO 0.00 0.56 0.39 0.45 0.00 0.00 0.00 179.25 180.65 2aqb s SER 219 N -6.81 6.52 -0.39 0.00 0.15 -1.26 -4.75 113.70 107.17 2aqb s SER 219 Ca -0.12 0.25 0.11 0.00 0.70 0.00 0.00 55.95 56.89 2aqb s SER 219 Cb 0.09 -2.40 0.37 0.00 -1.71 0.00 0.00 66.02 62.37 2aqb s SER 219 CO 0.86 -0.80 0.99 -2.11 1.20 0.00 0.00 173.24 173.39 2aqb n ARG 220 N 6.54 1.06 -1.60 5.44 1.85 -1.26 -4.62 116.66 124.07 2aqb n ARG 220 Ca 0.03 -2.71 -0.51 0.00 -1.00 0.00 0.00 57.85 53.66 2aqb n ARG 220 Cb 0.48 -1.14 -0.06 0.00 -1.05 0.00 0.00 32.46 30.70 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 0.07 0.00 -0.01 8.89 -1.04 -1.26 -1.24 114.28 119.69 2aqb n THR 221 Ca 0.12 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2aqb n THR 221 Cb 0.74 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 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 2.69 0.00 -2.35 -1.42 0.53 -1.26 -4.73 117.16 110.62 2aqb n TYR 222 Ca 0.18 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.66 2aqb n TYR 222 Cb 0.21 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.48 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 -3.88 7.03 0.67 7.72 2.15 -0.37 -1.06 116.67 128.92 2aqb s ASP 223 Ca 0.00 2.39 0.43 0.00 0.43 0.00 0.00 52.55 55.81 2aqb s ASP 223 Cb 0.00 -2.63 2.37 0.00 -0.30 0.00 0.00 42.92 42.36 2aqb s ASP 223 CO 0.00 -0.32 2.35 0.00 -0.17 0.00 0.00 175.17 177.02 2aqb h ALA 224 N 3.52 1.05 -0.16 3.66 0.00 -0.54 -2.73 119.26 124.06 2aqb h ALA 224 Ca -0.48 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2aqb h ALA 224 Cb 1.22 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 2aqb h ALA 224 CO 0.66 -0.02 -0.16 0.72 0.00 0.00 0.00 179.25 180.44 2aqb n HIS 225 N -3.11 0.52 -2.09 0.00 8.25 -1.26 -5.02 115.22 112.51 2aqb n HIS 225 Ca -0.03 -1.31 -0.36 0.00 -0.26 0.00 0.00 57.72 55.75 2aqb n HIS 225 Cb 0.09 -0.32 0.02 0.00 1.12 0.00 0.00 29.99 30.90 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 -3.09 3.23 -0.04 -0.41 1.70 -1.03 -4.99 118.95 114.32 2aqb s ARG 226 Ca 0.40 1.82 0.21 0.00 -0.47 0.00 0.00 55.73 57.69 2aqb s ARG 226 Cb 0.36 -2.08 0.37 0.00 -0.57 0.00 0.00 34.95 33.02 2aqb s ARG 226 CO 0.00 -0.99 1.15 -0.40 -1.08 0.00 0.00 175.30 173.97 2aqb n ASP 227 N -1.24 0.67 0.00 -2.89 5.75 -1.25 -4.59 116.55 113.00 2aqb n ASP 227 Ca 0.12 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 2aqb n ASP 227 Cb 0.49 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 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 0.23 2.77 3.86 6.12 0.00 -0.73 -3.62 105.19 113.82 2aqb n GLY 228 Ca -0.00 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.37 3.54 -0.32 1.61 -0.12 -0.03 -3.60 117.98 116.69 2aqb s PHE 229 Ca 0.00 1.35 -0.11 0.00 -0.05 0.00 0.00 56.93 58.12 2aqb s PHE 229 Cb 0.00 -2.75 -0.02 0.00 -0.63 0.00 0.00 43.02 39.62 2aqb s PHE 229 CO 0.00 -0.64 0.19 0.08 -0.05 0.00 0.00 175.22 174.80 2aqb s VAL 230 N -3.01 4.98 0.34 -2.49 1.01 -1.26 -1.56 120.40 118.41 2aqb s VAL 230 Ca 0.56 -0.26 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 2aqb s VAL 230 Cb -0.11 -3.52 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 2aqb s VAL 230 CO 0.48 0.06 1.43 -0.51 0.00 0.00 0.00 175.10 176.55 2aqb s ILE 231 N 1.68 2.33 0.16 2.22 -1.16 -1.26 0.66 121.20 125.82 2aqb s ILE 231 Ca 0.06 0.32 -0.01 0.00 -0.51 0.00 0.00 60.65 60.51 2aqb s ILE 231 Cb -0.17 -3.21 -0.04 0.00 0.61 0.00 0.00 42.46 39.65 2aqb s ILE 231 CO 0.09 0.07 0.07 0.00 -2.81 0.00 0.00 174.94 172.36 2aqb s ALA 232 N -0.93 1.03 0.31 1.50 0.00 0.22 -0.52 121.76 123.37 2aqb s ALA 232 Ca 0.53 -1.56 0.04 0.00 0.00 0.00 0.00 51.96 50.97 2aqb s ALA 232 Cb -0.44 0.96 -0.06 0.00 0.00 0.00 0.00 23.12 23.58 2aqb s ALA 232 CO 0.57 -0.49 0.04 0.20 0.00 0.00 0.00 175.76 176.08 2aqb s GLY 233 N -3.10 2.01 0.00 0.00 0.00 -0.80 -4.24 107.32 101.19 2aqb s GLY 233 Ca 0.28 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 42.98 2aqb s GLY 233 CO 0.05 -1.81 0.00 0.61 0.00 0.00 0.00 173.10 171.95 2aqb n GLY 234 N -0.65 -0.24 3.25 0.20 0.00 -0.69 -4.36 105.19 102.70 2aqb n GLY 234 Ca -0.03 -1.70 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 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 1.80 -0.15 -0.02 0.00 -0.15 -1.14 107.32 107.67 2aqb s GLY 235 Ca 0.00 -1.84 -0.30 0.00 0.00 0.00 0.00 44.72 42.59 2aqb s GLY 235 CO 0.00 -1.40 0.92 -0.32 0.00 0.00 0.00 173.10 172.30 2aqb s GLY 236 N -3.25 -0.33 -0.11 0.20 0.00 -0.84 -2.07 107.32 100.92 2aqb s GLY 236 Ca 0.39 1.93 -0.08 0.00 0.00 0.00 0.00 44.72 46.97 2aqb s GLY 236 CO 0.19 1.11 0.28 -0.29 0.00 0.00 0.00 173.10 174.39 2aqb s MET 237 N -0.97 0.28 0.16 2.90 1.75 0.09 -1.90 119.30 121.61 2aqb s MET 237 Ca -0.03 0.50 0.11 0.00 -1.25 0.00 0.00 55.69 55.02 2aqb s MET 237 Cb -0.01 0.01 -0.04 0.00 2.84 0.00 0.00 34.83 37.63 2aqb s MET 237 CO 0.03 -0.11 -0.24 0.14 -0.65 0.00 0.00 175.02 174.19 2aqb s VAL 238 N 0.81 2.38 -0.44 10.11 -7.23 0.15 -0.81 120.40 125.38 2aqb s VAL 238 Ca -0.05 -1.88 -0.18 0.00 -1.81 0.00 0.00 61.98 58.06 2aqb s VAL 238 Cb -0.07 -2.11 0.03 0.00 0.56 0.00 0.00 36.38 34.80 2aqb s VAL 238 CO -0.05 -0.02 0.48 -0.69 -0.31 0.00 0.00 175.10 174.51 2aqb s VAL 239 N -1.40 5.04 -0.24 1.32 1.01 0.46 -1.21 120.40 125.37 2aqb s VAL 239 Ca 0.18 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.64 2aqb s VAL 239 Cb -0.09 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 2aqb s VAL 239 CO 0.09 -0.51 0.40 -0.69 0.00 0.00 0.00 175.10 174.38 2aqb s VAL 240 N 2.25 5.17 0.01 2.92 1.01 -0.39 -1.54 120.40 129.83 2aqb s VAL 240 Ca 0.13 0.65 0.03 0.00 0.00 0.00 0.00 61.98 62.79 2aqb s VAL 240 Cb -0.17 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2aqb s VAL 240 CO 0.13 0.18 -0.09 -0.70 0.00 0.00 0.00 175.10 174.63 2aqb s GLU 241 N 1.81 0.65 0.35 2.72 2.12 0.42 -0.51 118.70 126.26 2aqb s GLU 241 Ca 0.17 -0.44 -0.28 0.00 0.36 0.00 0.00 54.97 54.78 2aqb s GLU 241 Cb -0.15 -0.59 -0.11 0.00 0.26 0.00 0.00 34.13 33.54 2aqb s GLU 241 CO 0.09 0.15 1.37 -2.00 -0.54 0.00 0.00 175.26 174.34 2aqb s GLU 242 N -0.59 4.26 0.10 4.30 -6.30 0.19 -0.53 118.70 120.14 2aqb s GLU 242 Ca 0.00 2.35 -0.24 0.00 -2.50 0.00 0.00 54.97 54.58 2aqb s GLU 242 Cb -0.05 -3.03 -0.11 0.00 0.00 0.00 0.00 34.13 30.93 2aqb s GLU 242 CO 0.00 -0.32 1.70 1.25 0.02 0.00 0.00 175.26 177.91 2aqb h LEU 243 N 3.26 -0.26 -0.53 2.70 5.85 -1.14 -1.23 115.31 123.96 2aqb h LEU 243 Ca -0.50 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.22 2aqb h LEU 243 Cb 1.23 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 2aqb h LEU 243 CO 0.65 -0.15 0.18 -0.33 -0.34 0.00 0.00 178.44 178.46 2aqb h GLU 244 N -0.19 0.82 -0.46 1.25 4.39 -1.92 0.12 114.58 118.58 2aqb h GLU 244 Ca 0.02 -0.17 0.09 0.00 0.34 0.00 0.00 59.36 59.64 2aqb h GLU 244 Cb 0.21 -0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 28.66 2aqb h GLU 244 CO -0.06 0.74 -0.03 1.25 -1.16 0.00 0.00 179.01 179.76 2aqb h HIS 245 N 0.73 -0.08 -0.00 4.33 2.76 -1.92 0.17 115.15 121.14 2aqb h HIS 245 Ca 0.17 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2aqb h HIS 245 Cb 0.25 0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.32 2aqb h HIS 245 CO 0.01 -0.12 0.00 0.00 -1.30 0.00 0.00 177.93 176.52 2aqb h ALA 246 N 1.42 0.00 -0.73 5.26 0.00 -0.62 -2.99 119.26 121.61 2aqb h ALA 246 Ca 0.23 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2aqb h ALA 246 Cb 0.35 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2aqb h ALA 246 CO -0.41 -0.44 0.40 -0.07 0.00 0.00 0.00 179.25 178.73 2aqb h LEU 247 N -0.11 0.56 -2.00 0.00 4.07 -0.50 -1.86 115.31 115.47 2aqb h LEU 247 Ca 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 2aqb h LEU 247 Cb 0.11 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 41.79 2aqb h LEU 247 CO -0.00 0.33 -0.08 0.00 -1.08 0.00 0.00 178.44 177.62 2aqb h ALA 248 N 1.41 1.65 -0.56 1.53 0.00 -0.52 -2.52 119.26 120.25 2aqb h ALA 248 Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2aqb h ALA 248 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2aqb h ALA 248 CO -0.23 0.10 0.00 2.89 0.00 0.00 0.00 179.25 182.00 2aqb n ARG 249 N -4.13 2.89 -2.88 0.00 1.85 -1.02 -4.96 116.66 108.41 2aqb n ARG 249 Ca -0.03 -2.45 -0.17 0.00 -1.00 0.00 0.00 57.85 54.20 2aqb n ARG 249 Cb 0.16 -1.49 0.03 0.00 -1.05 0.00 0.00 32.46 30.11 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 1.09 -0.24 3.75 2.89 0.00 -0.95 -4.97 105.19 106.77 2aqb n GLY 250 Ca 0.19 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.05 2.71 -0.40 4.61 0.00 -0.73 -4.97 121.76 119.93 2aqb s ALA 251 Ca 0.25 1.29 -0.27 0.00 0.00 0.00 0.00 51.96 53.22 2aqb s ALA 251 Cb -0.11 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.48 2aqb s ALA 251 CO 0.31 -1.40 1.03 -1.58 0.00 0.00 0.00 175.76 174.11 2aqb s HIS 252 N -1.34 2.99 -0.28 0.00 5.65 -1.26 -4.90 115.29 116.16 2aqb s HIS 252 Ca 0.74 0.81 -0.13 0.00 0.25 0.00 0.00 55.06 56.73 2aqb s HIS 252 Cb -0.39 -3.94 -0.04 0.00 -1.18 0.00 0.00 32.58 27.02 2aqb s HIS 252 CO 0.45 -0.98 0.28 0.42 -0.65 0.00 0.00 174.74 174.25 2aqb s ILE 253 N 3.86 5.24 -0.07 0.89 1.09 -1.26 -4.30 121.20 126.64 2aqb s ILE 253 Ca 0.43 0.36 -0.27 0.00 -1.10 0.00 0.00 60.65 60.07 2aqb s ILE 253 Cb -0.10 -3.61 -0.23 0.00 -1.06 0.00 0.00 42.46 37.46 2aqb s ILE 253 CO 0.23 0.20 1.04 1.88 -0.10 0.00 0.00 174.94 178.19 2aqb h TYR 254 N 8.28 0.02 -2.05 3.97 0.05 -1.34 -3.47 116.97 122.42 2aqb h TYR 254 Ca -0.33 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 58.57 2aqb h TYR 254 Cb 1.18 -0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.75 2aqb h TYR 254 CO 0.76 0.74 0.56 0.00 -1.05 0.00 0.00 178.16 179.17 2aqb s ALA 255 N -3.31 -1.88 -0.07 3.88 0.00 -1.24 -4.67 121.76 114.46 2aqb s ALA 255 Ca -0.17 1.19 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 2aqb s ALA 255 Cb -0.00 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2aqb s ALA 255 CO 0.69 -0.63 0.31 -2.00 0.00 0.00 0.00 175.76 174.12 2aqb s GLU 256 N -2.79 3.85 -0.72 0.00 2.12 0.84 -0.24 118.70 121.76 2aqb s GLU 256 Ca 0.05 0.19 -0.27 0.00 0.36 0.00 0.00 54.97 55.30 2aqb s GLU 256 Cb -0.01 -3.26 0.03 0.00 0.26 0.00 0.00 34.13 31.16 2aqb s GLU 256 CO -0.07 0.62 1.24 0.42 -0.54 0.00 0.00 175.26 176.93 2aqb s ILE 257 N -0.72 3.80 -1.32 -3.70 -1.09 -0.23 -0.94 121.20 116.99 2aqb s ILE 257 Ca 0.20 0.37 0.23 0.00 -2.23 0.00 0.00 60.65 59.21 2aqb s ILE 257 Cb -0.15 -4.88 -0.06 0.00 -1.58 0.00 0.00 42.46 35.79 2aqb s ILE 257 CO 0.09 -1.79 1.16 1.33 -1.23 0.00 0.00 174.94 174.49 2aqb n VAL 258 N 6.35 0.00 -3.72 2.92 0.24 -0.31 -4.63 118.33 119.18 2aqb n VAL 258 Ca 0.03 -0.07 -0.12 0.00 -2.04 0.00 0.00 64.34 62.13 2aqb n VAL 258 Cb 0.49 0.79 -0.10 0.00 -1.47 0.00 0.00 33.84 33.54 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 -2.82 -0.32 -0.16 7.63 0.00 -1.06 -4.81 107.32 105.78 2aqb s GLY 259 Ca 0.13 1.32 -0.04 0.00 0.00 0.00 0.00 44.72 46.12 2aqb s GLY 259 CO 0.72 1.29 0.12 -0.47 0.00 0.00 0.00 173.10 174.76 2aqb s TYR 260 N 0.71 0.05 -0.01 1.90 5.04 -1.26 -0.90 117.35 122.88 2aqb s TYR 260 Ca -0.04 -0.09 -0.01 0.00 -2.44 0.00 0.00 57.07 54.49 2aqb s TYR 260 Cb -0.05 -0.57 -0.04 0.00 0.35 0.00 0.00 41.96 41.65 2aqb s TYR 260 CO -0.05 -0.49 0.10 0.20 -1.34 0.00 0.00 175.55 173.97 2aqb s GLY 261 N 2.19 2.04 -0.24 8.97 0.00 -0.06 -4.48 107.32 115.74 2aqb s GLY 261 Ca 0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 44.72 43.87 2aqb s GLY 261 CO -0.09 -0.71 0.44 0.00 0.00 0.00 0.00 173.10 172.74 2aqb s ALA 262 N -1.20 -1.34 0.28 3.20 0.00 -1.26 -1.67 121.76 119.76 2aqb s ALA 262 Ca 0.23 1.30 0.03 0.00 0.00 0.00 0.00 51.96 53.52 2aqb s ALA 262 Cb -0.12 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 2aqb s ALA 262 CO 0.14 -1.11 0.18 0.95 0.00 0.00 0.00 175.76 175.92 2aqb s THR 263 N 2.63 0.13 -0.00 0.00 -4.23 -0.84 -4.99 115.64 108.34 2aqb s THR 263 Ca 0.09 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 2aqb s THR 263 Cb -0.14 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 2aqb s THR 263 CO -0.16 0.00 -0.11 -0.55 -0.54 0.00 0.00 174.62 173.27 2aqb s SER 264 N -3.31 1.24 0.06 3.99 0.15 -1.26 -1.31 113.70 113.26 2aqb s SER 264 Ca 0.38 -0.23 -0.15 0.00 0.70 0.00 0.00 55.95 56.65 2aqb s SER 264 Cb 0.05 -0.13 -0.21 0.00 -1.71 0.00 0.00 66.02 64.02 2aqb s SER 264 CO 0.19 0.11 1.20 0.44 1.20 0.00 0.00 173.24 176.37 2aqb h ASP 265 N 5.74 0.82 -6.37 5.45 3.32 -1.17 -3.43 116.42 120.77 2aqb h ASP 265 Ca -0.32 -0.71 -0.48 0.00 0.02 0.00 0.00 57.03 55.54 2aqb h ASP 265 Cb 1.18 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.43 2aqb h ASP 265 CO 0.49 1.41 -0.82 0.61 -1.72 0.00 0.00 179.24 179.21 2aqb n GLY 266 N 0.97 -0.36 0.00 2.75 0.00 -1.26 -4.87 105.19 102.42 2aqb n GLY 266 Ca -0.10 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.46 1.94 -2.50 4.61 0.00 -1.26 -5.13 120.51 113.71 2aqb n ALA 267 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.98 2aqb n ALA 267 Cb 0.60 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.93 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 1.00 4.12 0.17 0.00 1.01 -1.26 -5.05 116.67 116.67 2aqb s ASP 268 Ca 0.00 -0.21 -0.09 0.00 0.71 0.00 0.00 52.55 52.97 2aqb s ASP 268 Cb 0.00 -0.87 0.04 0.00 1.01 0.00 0.00 42.92 43.11 2aqb s ASP 268 CO 0.00 0.33 1.56 0.24 0.21 0.00 0.00 175.17 177.51 2aqb h MET 269 N 5.11 0.95 0.00 8.23 2.86 -2.00 -3.36 114.93 126.72 2aqb h MET 269 Ca -0.47 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 56.76 2aqb h MET 269 Cb 1.16 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2aqb h MET 269 CO 0.50 1.07 0.00 1.33 1.06 0.00 0.00 176.91 180.88 2aqb n VAL 270 N -4.10 0.20 -4.86 -2.22 0.24 -1.26 -0.17 118.33 106.15 2aqb n VAL 270 Ca -0.00 -0.47 -0.27 0.00 -2.04 0.00 0.00 64.34 61.57 2aqb n VAL 270 Cb 0.46 1.09 -0.16 0.00 -1.47 0.00 0.00 33.84 33.77 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 -0.20 1.57 0.36 2.33 0.00 -1.26 -4.98 121.76 119.58 2aqb s ALA 271 Ca 0.00 -0.70 -0.27 0.00 0.00 0.00 0.00 51.96 50.99 2aqb s ALA 271 Cb 0.00 -0.53 -0.09 0.00 0.00 0.00 0.00 23.12 22.49 2aqb s ALA 271 CO 0.00 0.27 1.21 -1.25 0.00 0.00 0.00 175.76 176.00 2aqb s PRO 272 N 0.09 4.22 0.24 0.00 0.04 -1.26 -4.35 135.00 133.98 2aqb s PRO 272 Ca -0.05 1.98 0.22 0.00 0.04 0.00 0.00 61.00 63.19 2aqb s PRO 272 Cb -0.12 -2.88 0.06 0.00 0.04 0.00 0.00 34.50 31.60 2aqb s PRO 272 CO 0.03 -0.22 1.16 0.66 0.04 0.00 0.00 177.00 178.67 2aqb h SER 273 N 3.05 0.00 0.00 6.66 4.64 -1.96 -3.48 113.55 122.46 2aqb h SER 273 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2aqb h SER 273 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2aqb h SER 273 CO 0.64 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 2aqb n GLY 274 N 1.19 2.04 0.37 -0.77 0.00 -1.26 -4.78 105.19 101.98 2aqb n GLY 274 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 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 1.25 -0.62 1.61 4.22 -1.94 -0.89 114.58 118.22 2aqb h GLU 275 Ca 0.00 -0.08 -0.08 0.00 0.08 0.00 0.00 59.36 59.29 2aqb h GLU 275 Cb 0.00 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 2aqb h GLU 275 CO 0.00 0.83 0.08 0.78 -2.18 0.00 0.00 179.01 178.51 2aqb h GLY 276 N 1.29 1.10 1.02 1.92 0.00 -1.86 -2.66 103.07 103.88 2aqb h GLY 276 Ca 0.38 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 2aqb h GLY 276 CO -0.10 0.68 0.23 0.00 0.00 0.00 0.00 176.54 177.35 2aqb h ALA 277 N 1.12 0.85 0.45 3.60 0.00 -1.72 -0.71 119.26 122.84 2aqb h ALA 277 Ca 0.19 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2aqb h ALA 277 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2aqb h ALA 277 CO 0.02 0.49 -0.29 0.28 0.00 0.00 0.00 179.25 179.75 2aqb h VAL 278 N 0.92 0.40 -1.01 0.00 2.07 -1.14 -1.59 116.25 115.92 2aqb h VAL 278 Ca 0.21 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.84 2aqb h VAL 278 Cb 0.25 0.40 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 2aqb h VAL 278 CO -0.01 0.00 0.64 0.03 0.02 0.00 0.00 177.57 178.25 2aqb h ARG 279 N -0.71 1.01 -0.05 1.57 3.08 -1.40 -1.12 114.38 116.76 2aqb h ARG 279 Ca -0.05 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 2aqb h ARG 279 Cb 0.59 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 2aqb h ARG 279 CO 0.04 0.67 0.02 0.00 -1.07 0.00 0.00 179.97 179.63 2aqb h MET 281 N -0.09 1.14 -0.48 0.00 2.86 -1.03 -2.05 114.93 115.27 2aqb h MET 281 Ca 0.02 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2aqb h MET 281 Cb 0.18 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2aqb h MET 281 CO -0.00 0.94 0.28 0.87 1.06 0.00 0.00 176.91 180.07 2aqb h LYS 282 N 1.09 0.66 -0.53 1.72 1.57 -1.06 -1.22 116.57 118.80 2aqb h LYS 282 Ca 0.25 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2aqb h LYS 282 Cb 0.25 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 2aqb h LYS 282 CO -0.02 0.49 0.25 1.98 -0.57 0.00 0.00 179.45 181.59 2aqb h MET 283 N 0.64 0.48 0.00 3.15 4.05 -0.87 -1.59 114.93 120.79 2aqb h MET 283 Ca 0.17 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 2aqb h MET 283 Cb 0.01 -0.11 -0.00 0.00 -0.80 0.00 0.00 31.60 30.70 2aqb h MET 283 CO -0.03 0.31 -0.14 0.00 0.23 0.00 0.00 176.91 177.29 2aqb h ALA 284 N 1.30 1.16 0.00 0.39 0.00 -1.08 -2.61 119.26 118.42 2aqb h ALA 284 Ca 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2aqb h ALA 284 Cb 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2aqb h ALA 284 CO -0.18 0.17 -0.52 -1.33 0.00 0.00 0.00 179.25 177.39 2aqb n MET 285 N -3.48 0.22 -1.83 0.00 2.00 -0.49 -4.18 117.12 109.36 2aqb n MET 285 Ca -0.01 0.08 -0.42 0.00 0.00 0.00 0.00 57.70 57.34 2aqb n MET 285 Cb 0.29 -1.65 -0.03 0.00 0.00 0.00 0.00 33.22 31.84 2aqb n MET 285 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2aqb s HIS 286 N -3.12 1.86 -0.08 2.03 2.46 -0.68 -1.00 115.29 116.77 2aqb s HIS 286 Ca 0.08 -0.03 0.00 0.00 0.47 0.00 0.00 55.06 55.58 2aqb s HIS 286 Cb 0.14 -4.08 0.00 0.00 -0.13 0.00 0.00 32.58 28.52 2aqb s HIS 286 CO 0.70 -4.59 0.00 0.41 -2.47 0.00 0.00 174.74 168.79 2aqb n GLY 287 N 4.25 0.38 3.50 1.59 0.00 -1.26 -4.98 105.19 108.68 2aqb n GLY 287 Ca 0.18 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.70 4.83 -2.23 1.61 1.01 -0.17 -4.93 120.40 118.82 2aqb s VAL 288 Ca 0.00 -0.07 0.29 0.00 0.00 0.00 0.00 61.98 62.19 2aqb s VAL 288 Cb 0.00 -4.24 0.57 0.00 0.00 0.00 0.00 36.38 32.71 2aqb s VAL 288 CO 0.00 -0.67 1.82 -0.90 0.00 0.00 0.00 175.10 175.35 2aqb n ASP 289 N 6.26 1.07 -4.65 3.32 5.75 -1.26 -4.85 116.55 122.19 2aqb n ASP 289 Ca -0.03 -1.24 -0.29 0.00 -0.01 0.00 0.00 54.79 53.23 2aqb n ASP 289 Cb 0.47 0.01 -0.08 0.00 -1.03 0.00 0.00 41.12 40.49 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 -2.11 3.74 0.60 2.12 -4.23 -1.26 -5.12 115.64 109.38 2aqb s THR 290 Ca 0.37 -1.24 -0.15 0.00 -1.18 0.00 0.00 61.69 59.49 2aqb s THR 290 Cb 0.21 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 2aqb s THR 290 CO 0.38 0.02 1.06 -2.16 -0.54 0.00 0.00 174.62 173.37 2aqb s PRO 291 N -2.55 3.29 -0.17 3.99 0.04 -1.26 -5.01 135.00 133.33 2aqb s PRO 291 Ca 0.25 1.17 -0.29 0.00 0.04 0.00 0.00 61.00 62.17 2aqb s PRO 291 Cb -0.11 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 2aqb s PRO 291 CO 0.17 -0.83 1.16 0.42 0.04 0.00 0.00 177.00 177.97 2aqb s ILE 292 N -2.52 4.45 -0.16 0.56 -1.09 -1.26 -4.44 121.20 116.74 2aqb s ILE 292 Ca 0.63 1.76 0.20 0.00 -2.23 0.00 0.00 60.65 61.00 2aqb s ILE 292 Cb -0.16 -4.13 -0.11 0.00 -1.58 0.00 0.00 42.46 36.48 2aqb s ILE 292 CO 0.39 -0.13 0.84 0.47 -1.23 0.00 0.00 174.94 175.27 2aqb n ASP 293 N 6.26 0.72 -3.67 3.58 8.00 0.19 -4.48 116.55 127.14 2aqb n ASP 293 Ca 0.13 0.30 -0.13 0.00 0.71 0.00 0.00 54.79 55.79 2aqb n ASP 293 Cb 0.46 0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 41.99 2aqb n ASP 293 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2aqb s TYR 294 N -3.15 -0.66 -0.17 1.24 5.04 -1.23 -3.86 117.35 114.57 2aqb s TYR 294 Ca -0.03 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.19 2aqb s TYR 294 Cb 0.09 0.24 0.03 0.00 0.35 0.00 0.00 41.96 42.68 2aqb s TYR 294 CO 0.81 -0.32 -0.10 -1.17 -1.34 0.00 0.00 175.55 173.44 2aqb s LEU 295 N 0.41 1.82 -0.47 6.97 0.20 0.23 -0.85 118.68 126.99 2aqb s LEU 295 Ca -0.01 -0.65 -0.24 0.00 0.69 0.00 0.00 54.13 53.92 2aqb s LEU 295 Cb -0.04 -1.09 0.03 0.00 -0.43 0.00 0.00 46.19 44.66 2aqb s LEU 295 CO -0.01 -0.13 0.86 0.21 -0.29 0.00 0.00 176.35 176.99 2aqb s ASN 296 N 1.52 6.42 0.64 3.68 3.84 0.59 -2.83 114.94 128.80 2aqb s ASN 296 Ca 0.02 -0.10 -0.12 0.00 0.21 0.00 0.00 52.86 52.87 2aqb s ASN 296 Cb -0.15 -2.41 -0.02 0.00 -0.55 0.00 0.00 41.25 38.11 2aqb s ASN 296 CO -0.09 -1.02 1.04 -0.94 -2.79 0.00 0.00 177.10 173.30 2aqb s SER 297 N 2.32 5.89 0.09 -4.21 1.04 -1.08 -1.92 113.70 115.83 2aqb s SER 297 Ca 0.32 1.55 -0.26 0.00 0.48 0.00 0.00 55.95 58.04 2aqb s SER 297 Cb -0.12 -2.49 -0.15 0.00 0.10 0.00 0.00 66.02 63.36 2aqb s SER 297 CO 0.23 -1.10 1.71 -0.74 0.98 0.00 0.00 173.24 174.32 2aqb h HIS 298 N -0.28 -0.24 -5.23 5.02 2.76 -1.92 -3.44 115.15 111.81 2aqb h HIS 298 Ca -0.44 -0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.53 2aqb h HIS 298 Cb 1.20 0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.25 2aqb h HIS 298 CO 0.64 -0.15 -0.48 0.41 -1.30 0.00 0.00 177.93 177.05 2aqb n GLY 299 N -1.20 -0.37 0.11 5.26 0.00 -1.26 -4.86 105.19 102.87 2aqb n GLY 299 Ca -0.09 0.32 0.13 0.00 0.00 0.00 0.00 46.02 46.38 2aqb n GLY 299 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2aqb h THR 300 N 0.57 0.00 -0.34 2.61 1.35 -1.93 -3.41 112.91 111.75 2aqb h THR 300 Ca -0.26 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 2aqb h THR 300 Cb 0.58 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.48 2aqb h THR 300 CO 0.14 0.00 0.00 -0.24 -0.25 0.00 0.00 175.52 175.17 2aqb n SER 301 N -2.36 -0.78 -4.65 5.36 2.88 -1.26 -4.05 113.62 108.76 2aqb n SER 301 Ca 0.05 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.26 2aqb n SER 301 Cb 0.45 -0.22 -0.10 0.00 -0.75 0.00 0.00 64.21 63.59 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 -2.34 4.00 0.18 2.46 -4.23 -1.26 -1.77 115.64 112.67 2aqb s THR 302 Ca 0.00 -0.53 -0.27 0.00 -1.18 0.00 0.00 61.69 59.71 2aqb s THR 302 Cb 0.00 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 71.14 2aqb s THR 302 CO 0.00 0.47 1.55 -0.65 -0.54 0.00 0.00 174.62 175.45 2aqb h PRO 303 N 4.73 -0.10 0.00 3.99 0.11 -1.95 -2.60 132.00 136.19 2aqb h PRO 303 Ca -0.49 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2aqb h PRO 303 Cb 1.18 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2aqb h PRO 303 CO 0.55 -0.07 -0.34 0.28 -0.21 0.00 0.00 178.00 178.22 2aqb h VAL 304 N -0.10 1.45 -0.35 3.15 2.07 -1.99 -3.37 116.25 117.11 2aqb h VAL 304 Ca 0.20 -2.22 0.08 0.00 0.82 0.00 0.00 66.70 65.58 2aqb h VAL 304 Cb 0.51 2.87 -0.08 0.00 -1.52 0.00 0.00 31.29 33.07 2aqb h VAL 304 CO -0.85 0.49 -0.28 1.23 0.02 0.00 0.00 177.57 178.18 2aqb h GLY 305 N -1.00 -0.16 0.28 2.17 0.00 -1.97 -0.98 103.07 101.41 2aqb h GLY 305 Ca -0.09 0.35 0.10 0.00 0.00 0.00 0.00 47.33 47.69 2aqb h GLY 305 CO -0.05 -0.21 0.15 -0.55 0.00 0.00 0.00 176.54 175.88 2aqb h ASP 306 N -0.23 0.06 0.63 0.19 5.19 -1.66 -2.51 116.42 118.09 2aqb h ASP 306 Ca 0.17 0.10 -0.26 0.00 -0.62 0.00 0.00 57.03 56.41 2aqb h ASP 306 Cb 0.50 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.13 2aqb h ASP 306 CO -0.48 0.05 -1.17 0.58 -3.12 0.00 0.00 179.24 175.09 2aqb h VAL 307 N 0.29 1.51 -0.85 -1.35 2.07 -1.66 -2.94 116.25 113.32 2aqb h VAL 307 Ca 0.30 -3.00 -0.02 0.00 0.82 0.00 0.00 66.70 64.80 2aqb h VAL 307 Cb 0.42 2.86 -0.04 0.00 -1.52 0.00 0.00 31.29 33.01 2aqb h VAL 307 CO -0.36 0.88 0.47 0.50 0.02 0.00 0.00 177.57 179.08 2aqb h LYS 308 N 0.09 1.18 -0.26 1.57 1.63 -0.91 -2.08 116.57 117.78 2aqb h LYS 308 Ca -0.11 -0.13 -0.04 0.00 -0.85 0.00 0.00 60.65 59.51 2aqb h LYS 308 Cb 1.89 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 33.28 2aqb h LYS 308 CO 0.19 0.86 0.01 1.49 -3.45 0.00 0.00 179.45 178.55 2aqb h GLU 309 N 1.19 0.46 -0.95 1.90 4.81 -1.44 -2.65 114.58 117.90 2aqb h GLU 309 Ca 0.30 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2aqb h GLU 309 Cb 0.02 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 2aqb h GLU 309 CO -0.05 0.61 0.61 -0.07 -0.73 0.00 0.00 179.01 179.39 2aqb h LEU 310 N 0.25 1.02 -0.85 1.64 3.38 -1.33 -0.06 115.31 119.36 2aqb h LEU 310 Ca 0.08 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2aqb h LEU 310 Cb 0.40 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2aqb h LEU 310 CO 0.01 0.69 0.29 0.00 0.09 0.00 0.00 178.44 179.52 2aqb h ALA 311 N 1.40 1.08 -0.58 1.53 0.00 -1.35 -1.54 119.26 119.80 2aqb h ALA 311 Ca 0.38 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2aqb h ALA 311 Cb 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2aqb h ALA 311 CO -0.13 0.65 0.20 0.00 0.00 0.00 0.00 179.25 179.96 2aqb h ALA 312 N 1.21 0.76 -0.32 0.00 0.00 -0.94 -2.53 119.26 117.43 2aqb h ALA 312 Ca 0.25 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2aqb h ALA 312 Cb 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2aqb h ALA 312 CO -0.02 0.41 0.19 0.82 0.00 0.00 0.00 179.25 180.65 2aqb h ILE 313 N 0.81 1.04 -0.35 0.00 2.04 -0.76 -1.23 117.51 119.06 2aqb h ILE 313 Ca 0.19 -0.13 0.07 0.00 1.00 0.00 0.00 64.86 65.99 2aqb h ILE 313 Cb 0.26 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 2aqb h ILE 313 CO -0.01 0.07 -0.13 0.03 0.00 0.00 0.00 178.15 178.11 2aqb h ARG 314 N 0.39 -0.06 -0.72 2.37 3.08 -1.21 -0.35 114.38 117.89 2aqb h ARG 314 Ca 0.12 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2aqb h ARG 314 Cb -0.01 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 2aqb h ARG 314 CO -0.05 -0.04 0.39 1.49 -1.07 0.00 0.00 179.97 180.69 2aqb h GLU 315 N -0.06 1.01 -0.09 0.04 4.81 -1.19 0.35 114.58 119.44 2aqb h GLU 315 Ca 0.18 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2aqb h GLU 315 Cb 0.33 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 2aqb h GLU 315 CO -0.40 0.76 0.00 0.28 -0.73 0.00 0.00 179.01 178.92 2aqb h VAL 316 N 0.99 1.24 0.00 0.32 2.07 -0.84 -3.35 116.25 116.68 2aqb h VAL 316 Ca 0.25 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 2aqb h VAL 316 Cb 0.05 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2aqb h VAL 316 CO -0.04 0.21 -1.42 0.49 0.02 0.00 0.00 177.57 176.84 2aqb n PHE 317 N -4.84 0.63 0.00 1.57 3.01 -0.18 -5.04 117.46 112.62 2aqb n PHE 317 Ca -0.06 0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.58 2aqb n PHE 317 Cb 0.19 -0.83 0.00 0.00 -0.01 0.00 0.00 39.48 38.83 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 1.25 3.20 1.00 1.37 0.00 0.12 -1.64 105.19 110.48 2aqb n GLY 318 Ca -0.03 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.89 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 7.62 2.86 -2.48 1.61 10.43 -1.26 -4.29 116.55 131.05 2aqb n ASP 319 Ca 0.00 -2.23 -0.23 0.00 2.57 0.00 0.00 54.79 54.91 2aqb n ASP 319 Cb 0.00 -0.42 0.01 0.00 1.84 0.00 0.00 41.12 42.55 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 0.56 2.97 -2.66 -1.24 5.02 -0.65 -5.09 118.16 117.07 2aqb n LYS 320 Ca 0.15 -4.21 -0.37 0.00 -2.02 0.00 0.00 58.31 51.85 2aqb n LYS 320 Cb 0.54 -2.05 -0.05 0.00 -0.02 0.00 0.00 35.03 33.45 2aqb n LYS 320 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2aqb s SER 321 N -3.48 7.16 0.67 4.39 1.04 -1.26 -4.86 113.70 117.36 2aqb s SER 321 Ca 0.44 1.96 -0.06 0.00 0.48 0.00 0.00 55.95 58.77 2aqb s SER 321 Cb 0.41 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.99 2aqb s SER 321 CO -0.12 -0.20 0.98 -2.16 0.98 0.00 0.00 173.24 172.71 2aqb s PRO 322 N -2.07 2.38 0.33 4.02 0.04 -1.26 -4.92 135.00 133.52 2aqb s PRO 322 Ca 0.51 -0.23 -0.29 0.00 0.04 0.00 0.00 61.00 61.03 2aqb s PRO 322 Cb -0.22 -2.21 -0.11 0.00 0.04 0.00 0.00 34.50 32.00 2aqb s PRO 322 CO 0.28 -1.09 1.55 0.00 0.04 0.00 0.00 177.00 177.78 2aqb s ALA 323 N -3.16 3.67 -0.02 8.56 0.00 -1.25 -4.54 121.76 125.03 2aqb s ALA 323 Ca 0.59 1.58 0.04 0.00 0.00 0.00 0.00 51.96 54.16 2aqb s ALA 323 Cb -0.11 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.37 2aqb s ALA 323 CO 0.44 -1.02 -0.14 0.42 0.00 0.00 0.00 175.76 175.46 2aqb s ILE 324 N -0.48 1.14 -0.01 0.00 1.01 -0.22 -0.60 121.20 122.05 2aqb s ILE 324 Ca 0.59 -0.61 -0.07 0.00 0.00 0.00 0.00 60.65 60.56 2aqb s ILE 324 Cb -0.47 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.04 2aqb s ILE 324 CO 0.54 0.33 0.15 -0.94 0.00 0.00 0.00 174.94 175.02 2aqb s SER 325 N -0.26 -0.01 -0.46 3.58 1.04 -1.13 -0.19 113.70 116.26 2aqb s SER 325 Ca 0.04 -0.12 -0.12 0.00 0.48 0.00 0.00 55.95 56.23 2aqb s SER 325 Cb -0.06 0.23 0.09 0.00 0.10 0.00 0.00 66.02 66.38 2aqb s SER 325 CO -0.00 -0.33 0.36 0.00 0.98 0.00 0.00 173.24 174.25 2aqb s ALA 326 N -1.18 3.46 -0.67 5.32 0.00 -1.26 -2.65 121.76 124.78 2aqb s ALA 326 Ca -0.13 -2.26 0.22 0.00 0.00 0.00 0.00 51.96 49.80 2aqb s ALA 326 Cb -0.07 -2.92 0.89 0.00 0.00 0.00 0.00 23.12 21.02 2aqb s ALA 326 CO 0.01 -1.78 1.68 0.25 0.00 0.00 0.00 175.76 175.93 2aqb n THR 327 N 5.07 0.77 0.29 0.00 -2.24 -1.26 -2.58 114.28 114.33 2aqb n THR 327 Ca -0.11 0.13 0.14 0.00 -2.27 0.00 0.00 64.05 61.95 2aqb n THR 327 Cb 0.42 -0.99 0.87 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.58 -0.78 1.57 -1.81 -0.28 116.57 114.68 2aqb h LYS 328 Ca 0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 2aqb h LYS 328 Cb 0.41 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 2aqb h LYS 328 CO 0.00 0.03 0.39 0.00 -0.57 0.00 0.00 179.45 179.30 2aqb h ALA 329 N 1.97 1.98 0.15 3.86 0.00 -1.75 0.28 119.26 125.75 2aqb h ALA 329 Ca -0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 2aqb h ALA 329 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2aqb h ALA 329 CO 0.00 -0.11 -1.56 0.52 0.00 0.00 0.00 179.25 178.11 2aqb h MET 330 N 0.43 0.31 0.00 0.00 2.86 -1.32 -3.42 114.93 113.78 2aqb h MET 330 Ca 0.27 -0.53 -0.07 0.00 -2.06 0.00 0.00 59.70 57.30 2aqb h MET 330 Cb 0.49 0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 2aqb h MET 330 CO -0.07 1.25 -1.77 0.25 1.06 0.00 0.00 176.91 177.63 2aqb n THR 331 N -3.78 0.47 -2.15 2.22 -2.24 -0.49 -0.44 114.28 107.87 2aqb n THR 331 Ca -0.25 -0.58 0.02 0.00 -2.27 0.00 0.00 64.05 60.97 2aqb n THR 331 Cb 0.98 -0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 68.98 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 1.33 -2.05 3.28 3.38 0.00 0.95 -4.58 105.19 107.50 2aqb n GLY 332 Ca -0.08 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.64 3.33 -1.73 1.61 2.46 0.21 -4.61 115.29 115.93 2aqb s HIS 333 Ca 0.00 -1.50 0.06 0.00 0.47 0.00 0.00 55.06 54.09 2aqb s HIS 333 Cb 0.00 -2.97 0.20 0.00 -0.13 0.00 0.00 32.58 29.68 2aqb s HIS 333 CO 0.00 -0.84 1.09 -1.13 -2.47 0.00 0.00 174.74 171.38 2aqb n SER 334 N 4.93 1.40 0.00 9.88 3.41 -1.26 -0.61 113.62 131.36 2aqb n SER 334 Ca -0.10 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.45 2aqb n SER 334 Cb 0.43 -0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 0.13 0.00 0.26 1.04 4.77 -1.26 -1.64 117.00 120.29 2aqb n LEU 335 Ca 0.07 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 2aqb n LEU 335 Cb 0.25 0.00 0.69 0.00 -2.33 0.00 0.00 43.42 42.03 2aqb n LEU 335 CO 0.06 0.00 0.96 1.23 -1.33 0.00 0.00 177.39 178.31 2aqb h GLY 336 N 0.00 0.00 0.68 -0.72 0.00 -1.85 -2.26 103.07 98.92 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 -0.28 0.00 0.00 0.00 0.00 176.54 176.26 2aqb n ALA 337 N -2.30 3.10 -0.14 3.60 0.00 -0.65 -3.02 120.51 121.09 2aqb n ALA 337 Ca -0.02 -0.34 -0.09 0.00 0.00 0.00 0.00 53.44 52.99 2aqb n ALA 337 Cb 0.25 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 3.45 0.54 -0.23 0.00 0.00 -1.52 -2.43 119.26 119.06 2aqb h ALA 338 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2aqb h ALA 338 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2aqb h ALA 338 CO 0.00 0.15 0.13 0.78 0.00 0.00 0.00 179.25 180.31 2aqb h GLY 339 N 0.53 0.31 1.16 0.00 0.00 -1.78 -1.04 103.07 102.26 2aqb h GLY 339 Ca 0.14 -0.09 -0.22 0.00 0.00 0.00 0.00 47.33 47.16 2aqb h GLY 339 CO -0.01 0.08 -0.75 -0.24 0.00 0.00 0.00 176.54 175.62 2aqb h VAL 340 N 0.27 1.28 -0.81 4.60 3.04 -1.75 -1.73 116.25 121.15 2aqb h VAL 340 Ca 0.09 -1.95 0.00 0.00 -1.01 0.00 0.00 66.70 63.84 2aqb h VAL 340 Cb 0.01 1.96 -0.04 0.00 -2.01 0.00 0.00 31.29 31.21 2aqb h VAL 340 CO -0.05 0.62 0.52 1.56 -1.01 0.00 0.00 177.57 179.21 2aqb h GLN 341 N 0.53 1.07 0.00 4.17 4.20 -1.36 -0.24 115.11 123.48 2aqb h GLN 341 Ca -0.05 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 2aqb h GLN 341 Cb 1.38 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 2aqb h GLN 341 CO 0.16 0.72 -0.55 0.93 -0.67 0.00 0.00 178.83 179.42 2aqb h GLU 342 N 1.10 0.00 -0.57 1.46 5.08 -1.22 0.66 114.58 121.08 2aqb h GLU 342 Ca 0.29 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.55 2aqb h GLU 342 Cb -0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2aqb h GLU 342 CO -0.06 0.51 -0.04 0.00 -1.00 0.00 0.00 179.01 178.42 2aqb h ALA 343 N 1.48 0.78 -0.46 3.43 0.00 -1.10 -1.41 119.26 121.98 2aqb h ALA 343 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2aqb h ALA 343 Cb 1.41 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2aqb h ALA 343 CO 0.07 0.65 0.21 0.82 0.00 0.00 0.00 179.25 180.99 2aqb h ILE 344 N 0.93 1.19 -0.43 0.00 2.04 -0.72 0.96 117.51 121.48 2aqb h ILE 344 Ca 0.16 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.46 2aqb h ILE 344 Cb 0.60 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2aqb h ILE 344 CO 0.04 0.22 0.27 1.88 0.00 0.00 0.00 178.15 180.56 2aqb h TYR 345 N 0.60 0.52 -0.74 1.37 0.05 -0.78 -0.22 116.97 117.77 2aqb h TYR 345 Ca 0.16 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 2aqb h TYR 345 Cb 0.15 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 2aqb h TYR 345 CO -0.00 0.31 0.39 0.77 -1.05 0.00 0.00 178.16 178.58 2aqb h SER 346 N 0.56 0.94 -0.81 3.88 0.02 -1.12 -1.15 113.55 115.86 2aqb h SER 346 Ca 0.16 -0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 2aqb h SER 346 Cb -0.03 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.23 2aqb h SER 346 CO -0.05 0.78 0.38 -0.07 -1.14 0.00 0.00 176.83 176.73 2aqb h LEU 347 N 1.03 1.06 -0.60 5.07 4.07 -0.48 -0.92 115.31 124.54 2aqb h LEU 347 Ca 0.26 -0.14 -0.12 0.00 0.08 0.00 0.00 57.88 57.96 2aqb h LEU 347 Cb 0.06 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 2aqb h LEU 347 CO -0.04 0.90 -0.18 -0.07 -1.08 0.00 0.00 178.44 177.97 2aqb h LEU 348 N 1.15 0.93 -0.82 1.67 3.38 -0.72 -0.28 115.31 120.62 2aqb h LEU 348 Ca 0.28 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2aqb h LEU 348 Cb 0.13 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2aqb h LEU 348 CO -0.03 1.09 0.36 0.24 0.09 0.00 0.00 178.44 180.19 2aqb h MET 349 N 0.81 1.20 -0.18 1.13 2.86 -1.04 -1.47 114.93 118.24 2aqb h MET 349 Ca 0.11 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2aqb h MET 349 Cb 0.73 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 2aqb h MET 349 CO 0.06 0.95 0.04 1.25 1.06 0.00 0.00 176.91 180.26 2aqb h LEU 350 N 1.18 0.28 -0.46 1.22 6.46 -0.93 -0.60 115.31 122.46 2aqb h LEU 350 Ca 0.28 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.77 2aqb h LEU 350 Cb 0.17 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.01 2aqb h LEU 350 CO -0.03 0.45 0.21 -0.33 -0.62 0.00 0.00 178.44 178.12 2aqb h GLU 351 N 0.09 0.68 -0.02 1.25 4.39 -0.96 -3.29 114.58 116.71 2aqb h GLU 351 Ca 0.06 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2aqb h GLU 351 Cb 0.29 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2aqb h GLU 351 CO 0.00 0.59 -0.11 0.72 -1.16 0.00 0.00 179.01 179.05 2aqb n HIS 352 N -4.62 0.00 -2.81 4.33 8.25 -0.56 -5.01 115.22 114.80 2aqb n HIS 352 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 2aqb n HIS 352 Cb 0.13 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.28 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 1.24 -0.80 3.36 -1.41 0.00 -0.29 -4.93 105.19 102.36 2aqb n GLY 353 Ca 0.11 0.37 -0.12 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 -3.21 -0.35 -0.20 1.61 -0.12 -0.87 -1.48 117.98 113.36 2aqb s PHE 354 Ca 0.24 0.14 -0.03 0.00 -0.05 0.00 0.00 56.93 57.23 2aqb s PHE 354 Cb -0.03 0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.71 2aqb s PHE 354 CO 0.58 -0.73 -0.05 0.42 -0.05 0.00 0.00 175.22 175.38 2aqb s ILE 355 N -3.48 3.41 0.34 -4.49 1.01 0.11 -4.57 121.20 113.53 2aqb s ILE 355 Ca 0.00 -0.49 -0.28 0.00 0.00 0.00 0.00 60.65 59.88 2aqb s ILE 355 Cb 0.00 -2.53 -0.10 0.00 0.01 0.00 0.00 42.46 39.85 2aqb s ILE 355 CO -0.10 0.45 1.21 0.00 0.00 0.00 0.00 174.94 176.50 2aqb s ALA 356 N 1.17 3.37 0.54 9.38 0.00 -1.26 -2.07 121.76 132.88 2aqb s ALA 356 Ca 0.02 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 52.90 2aqb s ALA 356 Cb -0.14 -3.41 -0.07 0.00 0.00 0.00 0.00 23.12 19.50 2aqb s ALA 356 CO -0.01 -0.48 1.01 -1.25 0.00 0.00 0.00 175.76 175.02 2aqb s PRO 357 N -1.84 3.76 -0.56 0.00 0.04 -1.26 -4.74 135.00 130.40 2aqb s PRO 357 Ca 0.50 1.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.40 2aqb s PRO 357 Cb -0.35 -2.10 0.09 0.00 0.04 0.00 0.00 34.50 32.18 2aqb s PRO 357 CO 0.46 -0.44 0.63 0.45 0.04 0.00 0.00 177.00 178.15 2aqb s SER 358 N -2.94 6.19 0.67 6.66 0.15 0.20 -4.72 113.70 119.91 2aqb s SER 358 Ca 0.61 -1.36 -0.05 0.00 0.70 0.00 0.00 55.95 55.85 2aqb s SER 358 Cb -0.12 -2.28 0.06 0.00 -1.71 0.00 0.00 66.02 61.97 2aqb s SER 358 CO 0.32 -0.99 0.96 0.27 1.20 0.00 0.00 173.24 175.00 2aqb s ILE 359 N 2.44 2.36 -1.08 6.45 -4.36 -1.26 -4.46 121.20 121.28 2aqb s ILE 359 Ca 0.10 -0.36 0.00 0.00 -0.26 0.00 0.00 60.65 60.13 2aqb s ILE 359 Cb -0.24 -3.00 0.00 0.00 1.25 0.00 0.00 42.46 40.47 2aqb s ILE 359 CO 0.07 0.00 0.00 0.59 0.24 0.00 0.00 174.94 175.84 2aqb n ASN 360 N -2.79 -4.69 -4.48 4.36 3.02 -1.26 -4.51 115.26 104.91 2aqb n ASN 360 Ca 0.08 0.25 -0.44 0.00 -0.03 0.00 0.00 54.58 54.45 2aqb n ASN 360 Cb 0.60 -3.09 -0.01 0.00 -0.61 0.00 0.00 39.78 36.67 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 -2.23 4.75 0.13 2.41 1.01 -1.26 -4.69 121.20 121.32 2aqb s ILE 361 Ca 0.00 -2.07 0.03 0.00 0.00 0.00 0.00 60.65 58.61 2aqb s ILE 361 Cb 0.00 -4.91 -0.20 0.00 0.01 0.00 0.00 42.46 37.36 2aqb s ILE 361 CO 0.00 -1.65 1.29 -0.33 0.00 0.00 0.00 174.94 174.25 2aqb h GLU 362 N 7.96 0.12 -2.89 2.79 5.08 -1.95 -3.43 114.58 122.26 2aqb h GLU 362 Ca 0.27 -0.17 -0.39 0.00 -1.00 0.00 0.00 59.36 58.06 2aqb h GLU 362 Cb 0.93 0.06 -0.39 0.00 0.50 0.00 0.00 28.75 29.86 2aqb h GLU 362 CO 1.24 1.02 -0.70 -2.00 -1.00 0.00 0.00 179.01 177.57 2aqb s GLU 363 N -2.89 0.09 0.04 2.33 2.12 -1.26 -5.06 118.70 114.07 2aqb s GLU 363 Ca -0.01 0.10 -0.31 0.00 0.36 0.00 0.00 54.97 55.11 2aqb s GLU 363 Cb 0.09 -1.40 -0.06 0.00 0.26 0.00 0.00 34.13 33.02 2aqb s GLU 363 CO 0.83 -0.61 1.37 -1.17 -0.54 0.00 0.00 175.26 175.14 2aqb s LEU 364 N 2.22 4.34 0.32 2.70 1.98 -1.26 0.19 118.68 129.17 2aqb s LEU 364 Ca 0.04 2.16 -0.29 0.00 -2.89 0.00 0.00 54.13 53.16 2aqb s LEU 364 Cb -0.15 -3.57 -0.12 0.00 0.66 0.00 0.00 46.19 43.00 2aqb s LEU 364 CO -0.09 -0.66 1.34 -0.67 -1.89 0.00 0.00 176.35 174.37 2aqb n ASP 365 N 4.73 2.88 -0.10 3.68 2.03 -0.23 -4.73 116.55 124.81 2aqb n ASP 365 Ca 0.12 1.19 0.13 0.00 0.52 0.00 0.00 54.79 56.75 2aqb n ASP 365 Cb 0.44 -1.49 0.50 0.00 -0.72 0.00 0.00 41.12 39.85 2aqb n ASP 365 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2aqb h GLU 366 N 2.97 0.40 0.00 -0.67 4.11 -1.93 -0.69 114.58 118.77 2aqb h GLU 366 Ca -0.46 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2aqb h GLU 366 Cb 1.28 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2aqb h GLU 366 CO 0.66 0.26 0.00 1.04 0.07 0.00 0.00 179.01 181.04 2aqb n GLN 367 N -4.47 0.66 -0.16 1.06 6.02 -1.26 -2.53 117.38 116.70 2aqb n GLN 367 Ca 0.11 0.01 0.11 0.00 -0.01 0.00 0.00 57.00 57.22 2aqb n GLN 367 Cb 0.40 -1.50 0.19 0.00 1.02 0.00 0.00 30.24 30.35 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 -1.14 2.42 -1.77 -1.58 0.00 -0.27 -4.84 120.51 113.33 2aqb n ALA 368 Ca 0.18 -0.96 -0.39 0.00 0.00 0.00 0.00 53.44 52.27 2aqb n ALA 368 Cb 0.16 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.48 3.20 -0.32 0.00 0.00 -1.05 -3.33 121.76 118.78 2aqb s ALA 369 Ca 0.36 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2aqb s ALA 369 Cb 0.21 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2aqb s ALA 369 CO 0.30 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2aqb n GLY 370 N 0.64 0.61 3.56 0.00 0.00 -1.26 -5.03 105.19 103.71 2aqb n GLY 370 Ca 0.05 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.68 2.96 -1.37 0.99 1.43 -1.21 -5.05 118.68 115.74 2aqb s LEU 371 Ca 0.00 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 2aqb s LEU 371 Cb 0.00 -1.74 0.06 0.00 0.03 0.00 0.00 46.19 44.54 2aqb s LEU 371 CO 0.00 0.16 1.98 -3.20 0.23 0.00 0.00 176.35 175.52 2aqb n ASN 372 N 0.57 4.43 -4.59 2.29 4.05 -1.26 -4.93 115.26 115.83 2aqb n ASN 372 Ca -0.13 -2.89 -0.42 0.00 0.45 0.00 0.00 54.58 51.58 2aqb n ASN 372 Cb 0.53 -1.69 -0.02 0.00 1.23 0.00 0.00 39.78 39.83 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 3.49 4.00 -0.14 -1.44 -1.09 -1.26 -1.05 121.20 123.71 2aqb s ILE 373 Ca 0.50 0.94 -0.29 0.00 -2.23 0.00 0.00 60.65 59.57 2aqb s ILE 373 Cb 0.09 -4.55 -0.02 0.00 -1.58 0.00 0.00 42.46 36.40 2aqb s ILE 373 CO -0.01 -1.12 1.31 -0.69 -1.23 0.00 0.00 174.94 173.19 2aqb s VAL 374 N 5.14 4.18 -0.62 2.92 1.01 0.73 -4.91 120.40 128.85 2aqb s VAL 374 Ca 0.49 1.44 0.08 0.00 0.00 0.00 0.00 61.98 63.99 2aqb s VAL 374 Cb -0.09 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.33 2aqb s VAL 374 CO 0.28 -0.11 0.49 0.35 0.00 0.00 0.00 175.10 176.11 2aqb n THR 375 N 5.31 0.00 -4.29 3.92 -2.24 -1.26 0.58 114.28 116.30 2aqb n THR 375 Ca 0.14 -0.39 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 2aqb n THR 375 Cb 0.45 1.07 -0.13 0.00 -2.10 0.00 0.00 70.33 69.61 2aqb n THR 375 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2aqb s GLU 376 N -1.35 0.91 0.02 -0.78 8.01 -1.26 -4.55 118.70 119.70 2aqb s GLU 376 Ca 0.06 -0.86 -0.35 0.00 0.01 0.00 0.00 54.97 53.82 2aqb s GLU 376 Cb 0.06 -0.94 -0.14 0.00 -4.31 0.00 0.00 34.13 28.80 2aqb s GLU 376 CO 0.24 0.22 1.65 2.41 0.01 0.00 0.00 175.26 179.79 2aqb n THR 377 N 1.62 0.21 -3.95 3.63 -1.04 -1.26 -4.57 114.28 108.92 2aqb n THR 377 Ca -0.19 -0.04 -0.24 0.00 -2.04 0.00 0.00 64.05 61.54 2aqb n THR 377 Cb 0.54 -1.48 -0.17 0.00 -1.82 0.00 0.00 70.33 67.40 2aqb n THR 377 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2aqb s THR 378 N 2.10 0.66 0.13 12.58 -1.32 -0.88 -4.98 115.64 123.92 2aqb s THR 378 Ca 0.86 -0.09 -0.31 0.00 -1.21 0.00 0.00 61.69 60.94 2aqb s THR 378 Cb -0.78 -0.73 -0.08 0.00 -1.51 0.00 0.00 72.50 69.41 2aqb s THR 378 CO 0.47 0.29 1.38 -1.81 -2.21 0.00 0.00 174.62 172.74 2aqb s ASP 379 N 1.58 6.84 -0.29 8.08 1.01 -1.26 0.08 116.67 132.71 2aqb s ASP 379 Ca 0.00 2.34 -0.18 0.00 0.71 0.00 0.00 52.55 55.42 2aqb s ASP 379 Cb -0.13 -2.59 0.13 0.00 1.01 0.00 0.00 42.92 41.34 2aqb s ASP 379 CO -0.04 -0.63 0.96 -0.60 0.21 0.00 0.00 175.17 175.06 2aqb s ARG 380 N 0.91 0.44 -0.17 8.23 3.52 -0.55 -4.93 118.95 126.41 2aqb s ARG 380 Ca 0.63 0.70 -0.29 0.00 -0.13 0.00 0.00 55.73 56.64 2aqb s ARG 380 Cb -0.37 0.12 -0.02 0.00 -1.56 0.00 0.00 34.95 33.13 2aqb s ARG 380 CO 0.31 -0.08 1.37 -2.00 -0.81 0.00 0.00 175.30 174.10 2aqb s GLU 381 N 1.10 4.13 0.19 5.12 2.12 -1.26 -3.13 118.70 126.97 2aqb s GLU 381 Ca -0.06 1.70 0.08 0.00 0.36 0.00 0.00 54.97 57.04 2aqb s GLU 381 Cb -0.04 -3.85 -0.04 0.00 0.26 0.00 0.00 34.13 30.46 2aqb s GLU 381 CO -0.13 -0.85 0.00 -0.51 -0.54 0.00 0.00 175.26 173.23 2aqb s LEU 382 N 3.90 3.29 0.00 2.70 1.43 -1.26 -5.05 118.68 123.69 2aqb s LEU 382 Ca 0.60 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2aqb s LEU 382 Cb -0.23 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.06 2aqb s LEU 382 CO 0.20 0.07 0.00 0.41 0.23 0.00 0.00 176.35 177.26 2aqb n THR 383 N -0.27 0.00 -4.26 5.49 -1.04 -1.26 -4.92 114.28 108.02 2aqb n THR 383 Ca -0.09 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.67 2aqb n THR 383 Cb 0.56 -0.65 -0.17 0.00 -1.82 0.00 0.00 70.33 68.25 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 -1.81 1.01 0.14 12.58 2.01 -1.26 -1.51 115.64 126.80 2aqb s THR 384 Ca 0.00 -0.36 0.10 0.00 0.31 0.00 0.00 61.69 61.74 2aqb s THR 384 Cb 0.00 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 2aqb s THR 384 CO 0.00 0.34 -0.23 0.68 -0.69 0.00 0.00 174.62 174.72 2aqb s VAL 385 N 1.12 2.05 0.02 3.82 -7.23 0.48 -0.64 120.40 120.01 2aqb s VAL 385 Ca -0.06 -1.77 0.07 0.00 -1.81 0.00 0.00 61.98 58.40 2aqb s VAL 385 Cb -0.14 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 2aqb s VAL 385 CO -0.01 -0.06 -0.21 -0.32 -0.31 0.00 0.00 175.10 174.19 2aqb s MET 386 N -2.25 1.49 -0.06 4.82 -2.45 -0.03 -0.93 119.30 119.90 2aqb s MET 386 Ca 0.13 -0.87 -0.01 0.00 -1.25 0.00 0.00 55.69 53.69 2aqb s MET 386 Cb -0.09 -1.55 0.03 0.00 1.25 0.00 0.00 34.83 34.47 2aqb s MET 386 CO 0.06 0.41 0.01 0.45 1.05 0.00 0.00 175.02 177.00 2aqb s SER 387 N -0.93 1.27 -0.06 1.11 0.15 -0.02 -0.30 113.70 114.91 2aqb s SER 387 Ca 0.08 -0.04 -0.04 0.00 0.70 0.00 0.00 55.95 56.65 2aqb s SER 387 Cb -0.08 -0.34 -0.04 0.00 -1.71 0.00 0.00 66.02 63.85 2aqb s SER 387 CO 0.01 -0.18 0.12 0.20 1.20 0.00 0.00 173.24 174.58 2aqb s ASN 388 N 1.81 6.05 -0.20 5.45 0.01 -0.81 -1.26 114.94 126.00 2aqb s ASN 388 Ca 0.02 0.32 -0.04 0.00 -0.71 0.00 0.00 52.86 52.44 2aqb s ASN 388 Cb -0.12 -1.86 0.09 0.00 0.41 0.00 0.00 41.25 39.76 2aqb s ASN 388 CO -0.04 0.34 0.19 -0.44 -1.51 0.00 0.00 177.10 175.64 2aqb s SER 389 N -1.40 1.56 -0.18 -1.22 0.01 0.01 -3.35 113.70 109.14 2aqb s SER 389 Ca 0.20 -0.30 0.01 0.00 1.31 0.00 0.00 55.95 57.17 2aqb s SER 389 Cb -0.12 0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.39 2aqb s SER 389 CO 0.10 -0.33 -0.17 -0.36 0.41 0.00 0.00 173.24 172.89 2aqb s PHE 390 N 2.29 2.57 0.38 2.43 0.08 -1.26 -0.38 117.98 124.10 2aqb s PHE 390 Ca 0.06 -1.54 0.08 0.00 0.12 0.00 0.00 56.93 55.64 2aqb s PHE 390 Cb -0.16 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.47 2aqb s PHE 390 CO -0.11 -0.76 0.26 0.20 -0.10 0.00 0.00 175.22 174.71 2aqb s GLY 391 N 1.35 2.08 0.63 4.36 0.00 0.32 -4.68 107.32 111.38 2aqb s GLY 391 Ca 0.04 -1.89 -0.18 0.00 0.00 0.00 0.00 44.72 42.70 2aqb s GLY 391 CO -0.11 -1.74 0.81 0.69 0.00 0.00 0.00 173.10 172.75 2aqb n PHE 392 N -1.35 0.25 -0.88 1.90 3.72 -1.26 -2.60 117.46 117.23 2aqb n PHE 392 Ca 0.00 0.42 0.00 0.00 -0.05 0.00 0.00 57.45 57.82 2aqb n PHE 392 Cb 0.62 -2.06 0.00 0.00 -0.94 0.00 0.00 39.48 37.10 2aqb n PHE 392 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2aqb n GLY 393 N 1.43 0.48 3.75 1.37 0.00 0.76 -4.19 105.19 108.79 2aqb n GLY 393 Ca 0.13 -0.71 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.88 -0.40 3.45 -0.02 0.00 -1.16 -4.76 105.19 99.42 2aqb n GLY 394 Ca 0.00 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.47 4.18 -0.03 2.61 -1.32 -1.07 -0.64 115.64 115.89 2aqb s THR 395 Ca 0.32 -0.22 0.06 0.00 -1.21 0.00 0.00 61.69 60.64 2aqb s THR 395 Cb -0.16 -2.93 -0.02 0.00 -1.51 0.00 0.00 72.50 67.88 2aqb s THR 395 CO 0.80 0.38 -0.22 0.20 -2.21 0.00 0.00 174.62 173.58 2aqb s ASN 396 N 1.35 3.42 0.01 8.08 0.01 -0.43 -0.52 114.94 126.85 2aqb s ASN 396 Ca 0.05 -0.37 0.01 0.00 -0.71 0.00 0.00 52.86 51.84 2aqb s ASN 396 Cb -0.15 -0.57 -0.01 0.00 0.41 0.00 0.00 41.25 40.93 2aqb s ASN 396 CO 0.02 0.32 -0.05 0.00 -1.51 0.00 0.00 177.10 175.89 2aqb s ALA 397 N -0.61 0.37 -0.02 0.60 0.00 0.49 -2.00 121.76 120.60 2aqb s ALA 397 Ca 0.09 -0.30 0.01 0.00 0.00 0.00 0.00 51.96 51.76 2aqb s ALA 397 Cb -0.11 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.98 2aqb s ALA 397 CO -0.00 0.05 -0.01 0.99 0.00 0.00 0.00 175.76 176.80 2aqb s THR 398 N -0.39 0.15 -0.09 0.00 2.01 -0.67 -0.81 115.64 115.85 2aqb s THR 398 Ca -0.01 0.02 0.04 0.00 0.31 0.00 0.00 61.69 62.04 2aqb s THR 398 Cb -0.03 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.27 2aqb s THR 398 CO -0.00 0.10 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.05 2aqb s LEU 399 N 0.55 2.25 -0.14 4.42 1.43 -0.39 -0.88 118.68 125.92 2aqb s LEU 399 Ca -0.05 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 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 -0.17 -0.69 0.23 0.00 0.00 176.35 175.91 2aqb s VAL 400 N 0.12 2.55 -0.06 -1.59 1.01 -0.08 -0.84 120.40 121.52 2aqb s VAL 400 Ca -0.11 -0.82 0.05 0.00 0.00 0.00 0.00 61.98 61.10 2aqb s VAL 400 Cb -0.16 -2.06 -0.00 0.00 0.00 0.00 0.00 36.38 34.16 2aqb s VAL 400 CO 0.06 0.53 -0.20 -0.04 0.00 0.00 0.00 175.10 175.45 2aqb s MET 401 N 0.70 2.21 0.00 2.72 -1.94 -0.11 -1.17 119.30 121.72 2aqb s MET 401 Ca -0.08 -0.72 0.03 0.00 -1.71 0.00 0.00 55.69 53.21 2aqb s MET 401 Cb -0.16 -1.84 -0.01 0.00 2.01 0.00 0.00 34.83 34.83 2aqb s MET 401 CO 0.02 0.25 -0.09 0.50 -0.01 0.00 0.00 175.02 175.69 2aqb s ARG 402 N 0.09 0.69 0.40 2.03 3.52 -0.12 -0.39 118.95 125.18 2aqb s ARG 402 Ca -0.07 -0.38 -0.26 0.00 -0.13 0.00 0.00 55.73 54.88 2aqb s ARG 402 Cb -0.14 -0.66 -0.10 0.00 -1.56 0.00 0.00 34.95 32.49 2aqb s ARG 402 CO 0.04 0.18 1.29 1.63 -0.81 0.00 0.00 175.30 177.62 2aqb n LYS 403 N 2.66 2.02 0.00 5.12 5.02 -0.57 -0.11 118.16 132.30 2aqb n LYS 403 Ca -0.15 0.72 0.09 0.00 -2.02 0.00 0.00 58.31 56.95 2aqb n LYS 403 Cb 0.57 -2.38 0.52 0.00 -0.02 0.00 0.00 35.03 33.71 2aqb n LYS 403 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16