#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aqj s LYS 3 N 0.00 4.36 0.80 3.52 2.20 -1.26 -4.86 119.74 124.49 2aqj s LYS 3 Ca 0.00 2.15 -0.11 0.00 -0.36 0.00 0.00 55.97 57.65 2aqj s LYS 3 Cb 0.00 -3.14 0.07 0.00 -1.51 0.00 0.00 37.83 33.25 2aqj s LYS 3 CO 0.00 -0.27 1.12 -1.25 -0.36 0.00 0.00 175.35 174.59 2aqj s PRO 4 N -0.59 1.95 0.18 4.03 0.04 -1.26 -0.82 135.00 138.53 2aqj s PRO 4 Ca 0.55 1.36 -0.32 0.00 0.04 0.00 0.00 61.00 62.64 2aqj s PRO 4 Cb -0.39 -1.85 -0.11 0.00 0.04 0.00 0.00 34.50 32.20 2aqj s PRO 4 CO 0.43 -1.90 1.71 0.42 0.04 0.00 0.00 177.00 177.70 2aqj s ILE 5 N -2.67 2.29 -0.07 0.56 -1.09 -1.26 -4.52 121.20 114.44 2aqj s ILE 5 Ca 0.65 0.13 -0.03 0.00 -2.23 0.00 0.00 60.65 59.16 2aqj s ILE 5 Cb -0.20 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.56 2aqj s ILE 5 CO 0.54 0.01 -0.09 1.17 -1.23 0.00 0.00 174.94 175.34 2aqj n LYS 6 N 4.42 0.15 -4.11 2.79 4.81 -1.26 -4.54 118.16 120.41 2aqj n LYS 6 Ca 0.16 0.06 -0.34 0.00 -0.87 0.00 0.00 58.31 57.32 2aqj n LYS 6 Cb 0.37 -0.75 -0.11 0.00 0.02 0.00 0.00 35.03 34.56 2aqj n LYS 6 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2aqj s ASN 7 N -5.61 5.29 -0.07 3.14 0.01 -1.26 0.14 114.94 116.58 2aqj s ASN 7 Ca -0.10 -0.02 0.04 0.00 -0.71 0.00 0.00 52.86 52.07 2aqj s ASN 7 Cb 0.04 -1.90 0.00 0.00 0.41 0.00 0.00 41.25 39.80 2aqj s ASN 7 CO 0.12 0.15 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.04 2aqj s ILE 8 N 0.51 1.62 -0.15 0.60 1.01 0.58 -0.29 121.20 125.09 2aqj s ILE 8 Ca 0.01 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.89 2aqj s ILE 8 Cb -0.13 -1.42 0.00 0.00 0.01 0.00 0.00 42.46 40.92 2aqj s ILE 8 CO 0.02 0.46 -0.17 -0.69 0.00 0.00 0.00 174.94 174.55 2aqj s VAL 9 N 0.36 2.48 -0.23 2.92 1.01 -0.36 -1.00 120.40 125.58 2aqj s VAL 9 Ca -0.13 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.92 2aqj s VAL 9 Cb -0.16 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2aqj s VAL 9 CO 0.05 0.53 0.10 -0.63 0.00 0.00 0.00 175.10 175.16 2aqj s ILE 10 N 0.76 4.83 -0.32 2.22 1.01 0.11 -0.60 121.20 129.22 2aqj s ILE 10 Ca -0.07 -0.00 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 2aqj s ILE 10 Cb -0.16 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 2aqj s ILE 10 CO 0.00 0.36 0.28 -0.69 0.00 0.00 0.00 174.94 174.90 2aqj s VAL 11 N 1.13 5.24 0.00 2.92 1.01 -0.16 -0.69 120.40 129.85 2aqj s VAL 11 Ca 0.05 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2aqj s VAL 11 Cb -0.14 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2aqj s VAL 11 CO 0.04 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.80 2aqj n GLY 12 N 5.00 3.92 0.91 4.51 0.00 0.10 0.06 105.19 119.69 2aqj n GLY 12 Ca -0.11 -1.30 0.01 0.00 0.00 0.00 0.00 46.02 44.61 2aqj n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqj n GLY 13 N -0.18 5.12 0.00 -0.02 0.00 -1.26 -4.12 105.19 104.73 2aqj n GLY 13 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2aqj n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aqj n GLY 14 N -0.96 0.57 0.31 -0.02 0.00 -1.26 -4.74 105.19 99.08 2aqj n GLY 14 Ca 0.22 -1.90 0.12 0.00 0.00 0.00 0.00 46.02 44.47 2aqj n GLY 14 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2aqj h THR 15 N -0.33 0.51 -0.08 2.61 2.02 -1.86 -2.29 112.91 113.48 2aqj h THR 15 Ca 0.00 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2aqj h THR 15 Cb 0.00 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.45 2aqj h THR 15 CO 0.00 0.08 0.02 0.00 0.37 0.00 0.00 175.52 175.98 2aqj h ALA 16 N 1.69 0.11 -0.43 6.16 0.00 -1.90 -0.91 119.26 123.97 2aqj h ALA 16 Ca 0.54 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 2aqj h ALA 16 Cb 1.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2aqj h ALA 16 CO -0.50 -0.25 0.16 0.78 0.00 0.00 0.00 179.25 179.44 2aqj h GLY 17 N -0.09 0.71 2.00 0.00 0.00 -1.64 0.87 103.07 104.91 2aqj h GLY 17 Ca 0.03 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 46.83 2aqj h GLY 17 CO 0.00 0.38 -0.60 1.49 0.00 0.00 0.00 176.54 177.81 2aqj h TRP 18 N 0.55 0.00 -0.45 5.60 4.06 -1.44 0.74 115.95 125.02 2aqj h TRP 18 Ca 0.14 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.02 2aqj h TRP 18 Cb 0.22 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 2aqj h TRP 18 CO 0.01 0.60 0.02 0.52 -3.56 0.00 0.00 178.44 176.02 2aqj h MET 19 N 0.00 0.78 -0.27 0.49 2.86 -0.93 -1.94 114.93 115.91 2aqj h MET 19 Ca -0.01 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2aqj h MET 19 Cb 1.13 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 2aqj h MET 19 CO 0.08 0.83 0.16 0.00 1.06 0.00 0.00 176.91 179.04 2aqj h ALA 20 N 0.92 0.34 -0.28 6.32 0.00 -0.45 0.57 119.26 126.68 2aqj h ALA 20 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2aqj h ALA 20 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2aqj h ALA 20 CO 0.02 -0.22 0.18 0.00 0.00 0.00 0.00 179.25 179.24 2aqj h ALA 21 N 1.12 0.35 -0.13 0.00 0.00 -0.83 -0.66 119.26 119.11 2aqj h ALA 21 Ca 0.10 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2aqj h ALA 21 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2aqj h ALA 21 CO -0.04 -0.17 -0.31 0.66 0.00 0.00 0.00 179.25 179.38 2aqj h SER 22 N 0.38 0.50 -0.49 0.00 4.64 -1.20 -0.86 113.55 116.52 2aqj h SER 22 Ca 0.10 -0.57 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2aqj h SER 22 Cb -0.04 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 2aqj h SER 22 CO -0.02 0.98 0.31 0.22 -0.87 0.00 0.00 176.83 177.45 2aqj h TYR 23 N 0.04 0.64 -0.32 4.77 3.20 -0.80 -2.14 116.97 122.36 2aqj h TYR 23 Ca -0.00 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.73 2aqj h TYR 23 Cb 0.91 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2aqj h TYR 23 CO 0.10 0.43 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.62 2aqj h LEU 24 N 0.66 0.78 -1.09 2.82 3.38 -1.09 0.16 115.31 120.94 2aqj h LEU 24 Ca 0.18 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 2aqj h LEU 24 Cb -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2aqj h LEU 24 CO -0.04 1.07 -0.09 1.62 0.09 0.00 0.00 178.44 181.09 2aqj h VAL 25 N 0.62 1.23 -0.01 1.22 3.04 -1.03 0.51 116.25 121.82 2aqj h VAL 25 Ca 0.06 -0.98 -0.03 0.00 -1.01 0.00 0.00 66.70 64.74 2aqj h VAL 25 Cb 0.90 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2aqj h VAL 25 CO 0.08 0.33 -0.12 -0.09 -1.01 0.00 0.00 177.57 176.76 2aqj h ARG 26 N 0.50 0.10 -0.79 4.17 9.65 -1.13 -3.32 114.38 123.56 2aqj h ARG 26 Ca 0.09 -0.09 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2aqj h ARG 26 Cb 0.46 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 2aqj h ARG 26 CO 0.03 0.80 0.33 0.00 2.80 0.00 0.00 179.97 183.93 2aqj h ALA 27 N 0.30 1.09 -1.97 2.80 0.00 -0.54 -3.31 119.26 117.64 2aqj h ALA 27 Ca -0.01 -0.18 -0.80 0.00 0.00 0.00 0.00 54.91 53.91 2aqj h ALA 27 Cb 0.83 -0.31 -0.27 0.00 0.00 0.00 0.00 17.79 18.04 2aqj h ALA 27 CO 0.02 0.65 0.83 1.28 0.00 0.00 0.00 179.25 182.04 2aqj n LEU 28 N -4.29 6.23 -0.30 0.00 4.77 0.16 -4.87 117.00 118.70 2aqj n LEU 28 Ca 0.07 -5.12 0.03 0.00 -0.03 0.00 0.00 56.01 50.97 2aqj n LEU 28 Cb 0.17 -1.34 0.11 0.00 -2.33 0.00 0.00 43.42 40.03 2aqj n LEU 28 CO 0.40 1.57 0.69 1.56 -1.33 0.00 0.00 177.39 180.29 2aqj h GLN 29 N 5.76 0.00 -5.39 3.23 1.08 -1.73 -3.42 115.11 114.65 2aqj h GLN 29 Ca 0.21 -0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.92 2aqj h GLN 29 Cb 0.68 -0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.97 2aqj h GLN 29 CO 1.29 0.00 -0.64 -0.65 -0.95 0.00 0.00 178.83 177.88 2aqj s GLN 30 N -6.25 1.63 0.00 1.46 -1.52 -1.26 -4.90 119.66 108.82 2aqj s GLN 30 Ca -0.15 -1.87 0.00 0.00 -1.95 0.00 0.00 55.36 51.39 2aqj s GLN 30 Cb 0.24 -1.07 0.00 0.00 -0.22 0.00 0.00 33.01 31.96 2aqj s GLN 30 CO 0.76 -0.07 0.00 1.04 -0.25 0.00 0.00 175.29 176.77 2aqj n GLN 31 N -0.67 0.00 -4.17 2.91 6.02 -1.26 -4.98 117.38 115.22 2aqj n GLN 31 Ca -0.04 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.60 2aqj n GLN 31 Cb 0.65 -2.42 -0.10 0.00 1.02 0.00 0.00 30.24 29.39 2aqj n GLN 31 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2aqj s ALA 32 N -2.54 3.32 -0.23 -1.58 0.00 -1.26 -4.32 121.76 115.14 2aqj s ALA 32 Ca 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 2aqj s ALA 32 Cb 0.00 -1.74 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 2aqj s ALA 32 CO 0.00 0.31 -0.03 1.21 0.00 0.00 0.00 175.76 177.25 2aqj s ASN 33 N -0.02 4.37 -0.14 0.00 2.47 0.38 -5.01 114.94 116.98 2aqj s ASN 33 Ca 0.05 -0.45 0.02 0.00 0.42 0.00 0.00 52.86 52.89 2aqj s ASN 33 Cb -0.12 -1.74 0.00 0.00 -1.45 0.00 0.00 41.25 37.93 2aqj s ASN 33 CO 0.01 -0.04 -0.20 -0.63 -3.72 0.00 0.00 177.10 172.53 2aqj s ILE 34 N 1.47 2.32 -0.05 -5.21 1.01 -1.26 -0.30 121.20 119.18 2aqj s ILE 34 Ca 0.05 -0.90 0.05 0.00 0.00 0.00 0.00 60.65 59.85 2aqj s ILE 34 Cb -0.15 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.38 2aqj s ILE 34 CO -0.03 0.54 -0.20 -0.89 0.00 0.00 0.00 174.94 174.36 2aqj s THR 35 N 0.70 1.64 -0.13 2.92 2.01 -0.17 -0.43 115.64 122.18 2aqj s THR 35 Ca -0.09 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.10 2aqj s THR 35 Cb -0.16 -1.40 0.01 0.00 0.01 0.00 0.00 72.50 70.96 2aqj s THR 35 CO 0.01 0.47 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.97 2aqj s LEU 36 N -0.06 2.16 -0.15 4.42 0.20 0.87 0.04 118.68 126.15 2aqj s LEU 36 Ca -0.03 -0.58 -0.04 0.00 0.69 0.00 0.00 54.13 54.17 2aqj s LEU 36 Cb -0.12 -1.46 -0.03 0.00 -0.43 0.00 0.00 46.19 44.16 2aqj s LEU 36 CO 0.02 0.10 -0.03 -0.51 -0.29 0.00 0.00 176.35 175.64 2aqj s ILE 37 N 0.72 4.01 -0.00 6.68 2.07 0.13 -0.62 121.20 134.19 2aqj s ILE 37 Ca -0.09 -0.32 0.00 0.00 -1.41 0.00 0.00 60.65 58.83 2aqj s ILE 37 Cb -0.16 -2.76 0.00 0.00 0.13 0.00 0.00 42.46 39.68 2aqj s ILE 37 CO 0.00 0.50 0.00 -1.83 -1.91 0.00 0.00 174.94 171.70 2aqj s GLU 38 N 0.27 0.01 0.13 3.50 -1.05 -0.55 0.02 118.70 121.02 2aqj s GLU 38 Ca -0.02 0.03 -0.29 0.00 -0.15 0.00 0.00 54.97 54.53 2aqj s GLU 38 Cb -0.14 -0.05 -0.06 0.00 -0.44 0.00 0.00 34.13 33.44 2aqj s GLU 38 CO 0.03 -0.02 0.92 0.45 0.95 0.00 0.00 175.26 177.58 2aqj s SER 39 N 0.17 7.48 0.49 0.83 0.15 -0.97 -1.60 113.70 120.25 2aqj s SER 39 Ca -0.01 1.76 0.28 0.00 0.70 0.00 0.00 55.95 58.68 2aqj s SER 39 Cb -0.02 -2.57 0.87 0.00 -1.71 0.00 0.00 66.02 62.59 2aqj s SER 39 CO -0.00 -0.00 1.80 0.00 1.20 0.00 0.00 173.24 176.23 2aqj h ALA 40 N 5.29 1.00 0.00 5.45 0.00 -1.90 -3.29 119.26 125.80 2aqj h ALA 40 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2aqj h ALA 40 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2aqj h ALA 40 CO 0.71 0.00 -0.85 0.00 0.00 0.00 0.00 179.25 179.10 2aqj n ALA 41 N -2.08 2.91 -3.60 0.00 0.00 -1.26 -4.78 120.51 111.69 2aqj n ALA 41 Ca 0.02 -0.28 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 2aqj n ALA 41 Cb 0.41 -1.10 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 2aqj n ALA 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2aqj s ILE 42 N -3.24 3.11 0.70 0.00 1.01 -1.24 -5.09 121.20 116.45 2aqj s ILE 42 Ca 0.03 -1.02 -0.15 0.00 0.00 0.00 0.00 60.65 59.51 2aqj s ILE 42 Cb 0.12 -2.62 0.02 0.00 0.01 0.00 0.00 42.46 40.00 2aqj s ILE 42 CO 0.76 0.12 1.15 -2.84 0.00 0.00 0.00 174.94 174.13 2aqj s PRO 43 N 1.35 2.44 0.68 2.79 0.02 -1.26 -4.75 135.00 136.26 2aqj s PRO 43 Ca -0.00 1.52 -0.11 0.00 0.02 0.00 0.00 61.00 62.43 2aqj s PRO 43 Cb -0.17 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2aqj s PRO 43 CO -0.03 -1.55 1.07 1.03 -0.33 0.00 0.00 177.00 177.19 2aqj s ARG 44 N -4.09 3.04 -0.37 5.54 0.52 -1.26 -5.05 118.95 117.27 2aqj s ARG 44 Ca 0.69 0.50 -0.19 0.00 -0.52 0.00 0.00 55.73 56.21 2aqj s ARG 44 Cb -0.24 -2.05 0.01 0.00 0.52 0.00 0.00 34.95 33.19 2aqj s ARG 44 CO 0.44 -0.90 0.56 0.42 0.02 0.00 0.00 175.30 175.84 2aqj s ILE 45 N -3.29 4.95 -0.23 1.52 1.01 -1.26 -5.02 121.20 118.88 2aqj s ILE 45 Ca 0.57 0.30 -0.03 0.00 0.00 0.00 0.00 60.65 61.49 2aqj s ILE 45 Cb -0.11 -4.04 0.11 0.00 0.01 0.00 0.00 42.46 38.43 2aqj s ILE 45 CO 0.52 -0.33 0.30 -0.83 0.00 0.00 0.00 174.94 174.60 2aqj s GLY 46 N 1.82 -0.21 -0.01 6.18 0.00 -1.26 -4.73 107.32 109.12 2aqj s GLY 46 Ca 0.20 0.57 0.22 0.00 0.00 0.00 0.00 44.72 45.71 2aqj s GLY 46 CO 0.15 2.42 0.73 3.33 0.00 0.00 0.00 173.10 179.73 2aqj n VAL 47 N 5.34 0.03 0.00 1.40 0.24 -1.26 -4.83 118.33 119.25 2aqj n VAL 47 Ca -0.04 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2aqj n VAL 47 Cb 0.50 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.30 2aqj n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2aqj n GLY 48 N 1.37 1.73 3.19 7.63 0.00 -1.26 -4.69 105.19 113.17 2aqj n GLY 48 Ca 0.00 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.76 2aqj n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2aqj s GLU 49 N -2.50 1.28 0.10 1.61 8.01 -0.55 -4.95 118.70 121.70 2aqj s GLU 49 Ca 0.00 -0.79 0.08 0.00 0.01 0.00 0.00 54.97 54.28 2aqj s GLU 49 Cb 0.00 -1.31 -0.04 0.00 -4.31 0.00 0.00 34.13 28.47 2aqj s GLU 49 CO 0.00 0.34 -0.18 0.00 0.01 0.00 0.00 175.26 175.44 2aqj s ALA 50 N -0.68 2.67 0.28 5.21 0.00 -1.26 -1.50 121.76 126.49 2aqj s ALA 50 Ca 0.06 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.76 2aqj s ALA 50 Cb -0.08 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 2aqj s ALA 50 CO 0.01 0.59 0.18 0.25 0.00 0.00 0.00 175.76 176.79 2aqj n THR 51 N 0.97 0.00 -4.26 0.00 -2.24 -0.44 -4.81 114.28 103.50 2aqj n THR 51 Ca -0.16 -1.88 -0.14 0.00 -2.27 0.00 0.00 64.05 59.60 2aqj n THR 51 Cb 0.53 0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 69.49 2aqj n THR 51 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2aqj s ILE 52 N -2.94 0.98 0.53 2.28 -4.36 -1.26 -4.30 121.20 112.12 2aqj s ILE 52 Ca 0.25 -2.02 0.23 0.00 -0.26 0.00 0.00 60.65 58.85 2aqj s ILE 52 Cb 0.01 -2.00 0.37 0.00 1.25 0.00 0.00 42.46 42.09 2aqj s ILE 52 CO 0.18 -0.60 2.03 -0.65 0.24 0.00 0.00 174.94 176.14 2aqj h PRO 53 N 2.71 0.00 0.00 0.37 0.11 -1.97 -1.58 132.00 131.64 2aqj h PRO 53 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2aqj h PRO 53 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2aqj h PRO 53 CO 0.64 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.09 2aqj h SER 54 N 0.00 0.00 -0.82 -2.05 4.64 -1.93 -1.80 113.55 111.59 2aqj h SER 54 Ca 0.20 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.61 2aqj h SER 54 Cb 0.79 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.80 2aqj h SER 54 CO -0.00 0.00 0.47 0.25 -0.87 0.00 0.00 176.83 176.67 2aqj h LEU 55 N 0.00 0.66 0.02 5.97 5.85 -1.70 0.54 115.31 126.66 2aqj h LEU 55 Ca 0.00 0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 2aqj h LEU 55 Cb 0.03 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 40.99 2aqj h LEU 55 CO 0.00 0.38 -0.56 -0.61 -0.34 0.00 0.00 178.44 177.31 2aqj h GLN 56 N 0.78 0.35 -0.13 1.25 5.75 -1.55 -0.89 115.11 120.66 2aqj h GLN 56 Ca 0.40 -0.40 -0.19 0.00 -0.15 0.00 0.00 58.65 58.31 2aqj h GLN 56 Cb 0.37 0.12 -0.00 0.00 1.07 0.00 0.00 27.48 29.03 2aqj h GLN 56 CO -0.25 1.09 -0.69 0.87 -2.65 0.00 0.00 178.83 177.20 2aqj h LYS 57 N -0.23 0.55 0.04 1.69 1.79 -1.33 0.43 116.57 119.52 2aqj h LYS 57 Ca -0.08 -0.42 -0.38 0.00 -2.18 0.00 0.00 60.65 57.59 2aqj h LYS 57 Cb 1.30 0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.98 2aqj h LYS 57 CO 0.11 1.05 -2.32 0.28 -1.08 0.00 0.00 179.45 177.49 2aqj n VAL 58 N -3.90 1.59 0.00 0.50 0.31 0.19 -4.47 118.33 112.55 2aqj n VAL 58 Ca -0.05 -0.60 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 2aqj n VAL 58 Cb 0.69 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 2aqj n VAL 58 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2aqj n PHE 59 N -3.33 0.00 -0.03 3.52 7.35 -0.99 -4.00 117.46 119.99 2aqj n PHE 59 Ca -0.41 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.28 2aqj n PHE 59 Cb 1.01 -0.08 0.29 0.00 0.35 0.00 0.00 39.48 41.05 2aqj n PHE 59 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2aqj h PHE 60 N 0.00 0.60 -0.43 -5.13 0.04 -1.13 -1.34 116.94 109.54 2aqj h PHE 60 Ca 0.00 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 2aqj h PHE 60 Cb 0.00 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 37.95 2aqj h PHE 60 CO 0.00 0.55 0.02 -0.44 -0.60 0.00 0.00 178.31 177.85 2aqj h ASP 61 N 0.56 0.65 -0.70 2.17 3.32 -0.31 0.13 116.42 122.25 2aqj h ASP 61 Ca 0.12 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.99 2aqj h ASP 61 Cb 0.29 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 2aqj h ASP 61 CO 0.00 0.71 0.23 0.15 -1.72 0.00 0.00 179.24 178.61 2aqj h PHE 62 N 0.65 1.11 0.00 4.55 3.57 -1.40 -1.55 116.94 123.88 2aqj h PHE 62 Ca 0.14 -0.11 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 2aqj h PHE 62 Cb 0.37 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 2aqj h PHE 62 CO 0.02 0.88 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.91 2aqj h LEU 63 N 1.02 0.00 0.00 0.59 3.38 -0.91 -3.47 115.31 115.92 2aqj h LEU 63 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2aqj h LEU 63 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2aqj h LEU 63 CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13 2aqj n GLY 64 N 0.15 0.53 3.31 0.83 0.00 -0.11 -5.05 105.19 104.85 2aqj n GLY 64 Ca 0.01 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 2aqj n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aqj s ILE 65 N -2.00 3.97 0.71 -0.61 1.01 0.27 -5.00 121.20 119.56 2aqj s ILE 65 Ca 0.00 -1.00 -0.11 0.00 0.00 0.00 0.00 60.65 59.54 2aqj s ILE 65 Cb 0.00 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.29 2aqj s ILE 65 CO 0.00 -0.14 1.08 -2.16 0.00 0.00 0.00 174.94 173.71 2aqj s PRO 66 N 1.45 2.71 0.20 2.79 0.04 -1.26 -4.23 135.00 136.70 2aqj s PRO 66 Ca -0.00 1.10 -0.11 0.00 0.04 0.00 0.00 61.00 62.03 2aqj s PRO 66 Cb -0.19 -1.96 0.26 0.00 0.04 0.00 0.00 34.50 32.65 2aqj s PRO 66 CO 0.04 -1.29 1.71 1.49 0.04 0.00 0.00 177.00 178.99 2aqj h GLU 67 N -0.70 0.26 0.00 4.56 4.81 -1.98 -0.68 114.58 120.86 2aqj h GLU 67 Ca -0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2aqj h GLU 67 Cb 1.22 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.54 2aqj h GLU 67 CO 0.55 0.17 0.00 0.07 -0.73 0.00 0.00 179.01 179.07 2aqj h ARG 68 N 0.27 0.00 0.08 1.92 0.11 -2.00 0.11 114.38 114.87 2aqj h ARG 68 Ca 0.29 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.22 2aqj h ARG 68 Cb 0.42 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.50 2aqj h ARG 68 CO -0.37 0.00 -0.71 1.49 0.10 0.00 0.00 179.97 180.49 2aqj h GLU 69 N 0.00 0.18 0.10 0.08 4.81 -1.49 -3.41 114.58 114.84 2aqj h GLU 69 Ca 0.00 -0.30 -0.32 0.00 -0.13 0.00 0.00 59.36 58.61 2aqj h GLU 69 Cb 0.15 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2aqj h GLU 69 CO 0.00 1.14 -1.68 0.11 -0.73 0.00 0.00 179.01 177.85 2aqj h TRP 70 N -0.60 0.38 -0.41 0.92 5.08 -1.20 -3.40 115.95 116.72 2aqj h TRP 70 Ca -0.14 -0.28 0.09 0.00 1.08 0.00 0.00 58.89 59.64 2aqj h TRP 70 Cb 1.44 -0.02 -0.09 0.00 -3.00 0.00 0.00 29.16 27.50 2aqj h TRP 70 CO 0.20 1.42 -0.21 0.52 -1.28 0.00 0.00 178.44 179.08 2aqj h MET 71 N 0.06 -0.13 0.00 0.12 2.86 -1.02 -2.19 114.93 114.62 2aqj h MET 71 Ca -0.30 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 2aqj h MET 71 Cb 2.02 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 33.71 2aqj h MET 71 CO 0.13 -0.09 -0.10 -1.35 1.06 0.00 0.00 176.91 176.56 2aqj h PRO 72 N -0.14 0.00 -0.00 -0.22 0.11 -1.79 0.97 132.00 130.93 2aqj h PRO 72 Ca 0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2aqj h PRO 72 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 2aqj h PRO 72 CO -0.50 0.10 -0.23 1.04 -0.21 0.00 0.00 178.00 178.21 2aqj n GLN 73 N -3.81 0.06 -0.01 1.05 6.02 -0.84 -3.25 117.38 116.60 2aqj n GLN 73 Ca -0.02 -0.02 0.01 0.00 -0.01 0.00 0.00 57.00 56.96 2aqj n GLN 73 Cb 0.20 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.98 2aqj n GLN 73 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 2aqj n VAL 74 N -1.45 1.06 -3.85 5.09 0.24 -1.04 -4.82 118.33 113.55 2aqj n VAL 74 Ca 0.07 -1.10 -0.25 0.00 -2.04 0.00 0.00 64.34 61.02 2aqj n VAL 74 Cb 0.33 0.44 0.01 0.00 -1.47 0.00 0.00 33.84 33.14 2aqj n VAL 74 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2aqj n ASN 75 N -0.58 -1.23 -4.75 -1.34 3.02 -1.04 -2.40 115.26 106.94 2aqj n ASN 75 Ca 0.02 -0.91 -0.34 0.00 -0.03 0.00 0.00 54.58 53.32 2aqj n ASN 75 Cb 0.30 -3.55 0.06 0.00 -0.61 0.00 0.00 39.78 35.98 2aqj n ASN 75 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2aqj s GLY 76 N -4.22 2.40 0.24 7.41 0.00 0.31 -4.54 107.32 108.92 2aqj s GLY 76 Ca 0.10 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.63 2aqj s GLY 76 CO 0.85 1.19 0.13 0.00 0.00 0.00 0.00 173.10 175.27 2aqj s ALA 77 N -1.98 1.49 0.03 3.20 0.00 0.82 -4.83 121.76 120.48 2aqj s ALA 77 Ca 0.73 -1.78 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 2aqj s ALA 77 Cb -0.26 1.26 -0.05 0.00 0.00 0.00 0.00 23.12 24.07 2aqj s ALA 77 CO 0.40 -0.54 0.29 -0.06 0.00 0.00 0.00 175.76 175.84 2aqj s PHE 78 N -3.92 3.57 -0.12 0.00 0.08 -1.26 -1.00 117.98 115.32 2aqj s PHE 78 Ca 0.38 0.58 -0.01 0.00 0.12 0.00 0.00 56.93 58.00 2aqj s PHE 78 Cb 0.07 -2.00 0.03 0.00 -0.57 0.00 0.00 43.02 40.55 2aqj s PHE 78 CO 0.14 0.59 -0.03 0.21 -0.10 0.00 0.00 175.22 176.03 2aqj s LYS 79 N -1.89 1.08 0.00 0.44 2.20 -0.15 -3.80 119.74 117.62 2aqj s LYS 79 Ca 0.30 -0.21 0.13 0.00 -0.36 0.00 0.00 55.97 55.82 2aqj s LYS 79 Cb -0.13 -1.54 -0.05 0.00 -1.51 0.00 0.00 37.83 34.59 2aqj s LYS 79 CO 0.18 -0.37 0.66 0.00 -0.36 0.00 0.00 175.35 175.46 2aqj n ALA 80 N 5.01 3.23 -3.75 3.13 0.00 0.14 0.71 120.51 128.98 2aqj n ALA 80 Ca -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.91 2aqj n ALA 80 Cb 0.49 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2aqj n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aqj s ALA 81 N -1.82 -2.11 -0.08 0.00 0.00 -1.26 -3.40 121.76 113.08 2aqj s ALA 81 Ca 0.09 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.39 2aqj s ALA 81 Cb 0.10 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 2aqj s ALA 81 CO 0.39 -1.07 -0.10 0.42 0.00 0.00 0.00 175.76 175.40 2aqj s ILE 82 N -2.45 3.44 -0.24 0.00 1.01 -0.64 -1.84 121.20 120.49 2aqj s ILE 82 Ca 0.18 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 2aqj s ILE 82 Cb 0.02 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 2aqj s ILE 82 CO -0.01 0.57 0.03 -0.75 0.00 0.00 0.00 174.94 174.79 2aqj s LYS 83 N -0.45 3.58 -0.21 2.79 2.20 1.00 -0.22 119.74 128.43 2aqj s LYS 83 Ca 0.06 -0.52 -0.13 0.00 -0.36 0.00 0.00 55.97 55.03 2aqj s LYS 83 Cb -0.12 -3.22 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 2aqj s LYS 83 CO 0.02 -0.18 0.25 -0.06 -0.36 0.00 0.00 175.35 175.02 2aqj s PHE 84 N 1.53 3.36 -0.08 4.03 0.08 0.72 -0.08 117.98 127.55 2aqj s PHE 84 Ca 0.06 0.41 0.05 0.00 0.12 0.00 0.00 56.93 57.56 2aqj s PHE 84 Cb -0.15 -2.35 -0.00 0.00 -0.57 0.00 0.00 43.02 39.95 2aqj s PHE 84 CO 0.02 0.09 -0.24 0.08 -0.10 0.00 0.00 175.22 175.07 2aqj s VAL 85 N 0.97 2.00 -1.85 -0.44 1.01 0.60 -1.36 120.40 121.34 2aqj s VAL 85 Ca 0.12 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2aqj s VAL 85 Cb -0.13 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2aqj s VAL 85 CO 0.05 0.55 0.00 0.59 0.00 0.00 0.00 175.10 176.29 2aqj n ASN 86 N 3.33 -5.50 0.10 3.32 3.02 -0.41 -0.59 115.26 118.52 2aqj n ASN 86 Ca -0.19 0.20 0.12 0.00 -0.03 0.00 0.00 54.58 54.68 2aqj n ASN 86 Cb 0.53 -4.62 0.02 0.00 -0.61 0.00 0.00 39.78 35.10 2aqj n ASN 86 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2aqj h TRP 87 N 0.00 0.00 0.18 3.10 4.06 -1.84 -3.41 115.95 118.04 2aqj h TRP 87 Ca -0.44 0.00 -0.25 0.00 2.06 0.00 0.00 58.89 60.26 2aqj h TRP 87 Cb 1.31 0.00 0.03 0.00 -1.00 0.00 0.00 29.16 29.50 2aqj h TRP 87 CO 0.53 0.00 -1.09 -0.09 -3.56 0.00 0.00 178.44 174.24 2aqj h ARG 88 N 0.00 0.42 0.00 0.49 2.43 -1.87 -3.41 114.38 112.43 2aqj h ARG 88 Ca 0.00 -0.69 -0.13 0.00 -0.81 0.00 0.00 59.98 58.35 2aqj h ARG 88 Cb 0.96 0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 2aqj h ARG 88 CO 0.00 1.33 0.00 0.36 -1.51 0.00 0.00 179.97 180.15 2aqj n LYS 89 N -3.96 0.60 -1.69 0.20 0.00 -1.26 -3.17 118.16 108.88 2aqj n LYS 89 Ca -0.15 -1.80 -0.45 0.00 -0.00 0.00 0.00 58.31 55.92 2aqj n LYS 89 Cb 0.94 1.89 -0.04 0.00 -0.00 0.00 0.00 35.03 37.82 2aqj n LYS 89 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2aqj n SER 90 N -1.63 3.49 -4.59 -5.58 7.64 -1.26 -4.81 113.62 106.88 2aqj n SER 90 Ca -0.02 1.05 -0.42 0.00 1.01 0.00 0.00 58.87 60.50 2aqj n SER 90 Cb 0.41 -1.48 0.01 0.00 -1.01 0.00 0.00 64.21 62.14 2aqj n SER 90 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2aqj n PRO 91 N 4.14 1.23 -3.77 1.43 -0.04 -1.26 -5.03 135.00 131.70 2aqj n PRO 91 Ca 0.17 0.44 -0.19 0.00 -0.04 0.00 0.00 63.50 63.88 2aqj n PRO 91 Cb 0.32 -1.96 -0.17 0.00 -0.04 0.00 0.00 33.50 31.65 2aqj n PRO 91 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2aqj s ASP 92 N -0.77 0.94 0.16 3.54 -1.08 -1.26 -5.04 116.67 113.16 2aqj s ASP 92 Ca 0.63 0.01 0.16 0.00 -0.52 0.00 0.00 52.55 52.83 2aqj s ASP 92 Cb -0.57 -0.22 0.75 0.00 -1.46 0.00 0.00 42.92 41.41 2aqj s ASP 92 CO 0.57 -0.19 1.49 -0.81 0.52 0.00 0.00 175.17 176.76 2aqj n PRO 93 N 4.84 0.10 0.00 4.34 -0.04 -1.26 -1.43 135.00 141.55 2aqj n PRO 93 Ca -0.13 0.46 0.14 0.00 -0.04 0.00 0.00 63.50 63.93 2aqj n PRO 93 Cb 0.50 -1.73 0.63 0.00 -0.04 0.00 0.00 33.50 32.85 2aqj n PRO 93 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2aqj n SER 94 N -1.92 0.76 -4.22 3.54 3.41 -1.26 -4.88 113.62 109.04 2aqj n SER 94 Ca 0.01 -0.98 -0.28 0.00 -0.26 0.00 0.00 58.87 57.36 2aqj n SER 94 Cb 0.12 -0.01 -0.16 0.00 -0.26 0.00 0.00 64.21 63.89 2aqj n SER 94 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2aqj s ARG 95 N -2.24 1.98 -0.49 4.33 1.81 -0.51 -5.09 118.95 118.74 2aqj s ARG 95 Ca 0.35 -0.77 -0.20 0.00 -1.72 0.00 0.00 55.73 53.39 2aqj s ARG 95 Cb 0.21 -1.80 0.05 0.00 -0.45 0.00 0.00 34.95 32.96 2aqj s ARG 95 CO 0.42 0.39 0.65 0.34 -0.68 0.00 0.00 175.30 176.42 2aqj s ASP 96 N -0.29 6.26 -0.54 0.23 2.15 -1.26 -4.72 116.67 118.50 2aqj s ASP 96 Ca 0.02 -0.71 -0.03 0.00 0.43 0.00 0.00 52.55 52.26 2aqj s ASP 96 Cb -0.11 -2.31 0.14 0.00 -0.30 0.00 0.00 42.92 40.35 2aqj s ASP 96 CO 0.01 -0.88 0.35 -0.62 -0.17 0.00 0.00 175.17 173.85 2aqj s ASP 97 N 2.50 5.29 0.03 -0.34 2.15 -1.26 -5.05 116.67 119.98 2aqj s ASP 97 Ca 0.18 -2.49 -0.01 0.00 0.43 0.00 0.00 52.55 50.66 2aqj s ASP 97 Cb -0.17 -1.86 -0.02 0.00 -0.30 0.00 0.00 42.92 40.57 2aqj s ASP 97 CO 0.14 -0.46 -0.01 -1.38 -0.17 0.00 0.00 175.17 173.30 2aqj s HIS 98 N 0.47 0.30 0.06 -5.34 -3.43 -1.26 -1.29 115.29 104.80 2aqj s HIS 98 Ca 0.13 -0.62 -0.13 0.00 -0.80 0.00 0.00 55.06 53.64 2aqj s HIS 98 Cb -0.21 -0.22 0.02 0.00 -1.43 0.00 0.00 32.58 30.73 2aqj s HIS 98 CO -0.04 -0.25 0.29 -0.59 -2.00 0.00 0.00 174.74 172.15 2aqj s PHE 99 N -2.10 -0.07 -0.03 0.38 -0.12 -0.46 -4.98 117.98 110.60 2aqj s PHE 99 Ca -0.10 -0.13 -0.01 0.00 -0.05 0.00 0.00 56.93 56.64 2aqj s PHE 99 Cb -0.05 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.38 2aqj s PHE 99 CO -0.03 -0.52 0.05 0.71 -0.05 0.00 0.00 175.22 175.38 2aqj s TYR 100 N -2.85 3.24 -0.38 3.49 2.02 -1.26 -0.20 117.35 121.41 2aqj s TYR 100 Ca -0.03 0.20 -0.09 0.00 -0.37 0.00 0.00 57.07 56.78 2aqj s TYR 100 Cb 0.00 -1.75 0.05 0.00 -0.40 0.00 0.00 41.96 39.86 2aqj s TYR 100 CO -0.05 0.53 0.20 -1.58 -1.57 0.00 0.00 175.55 173.08 2aqj s HIS 101 N -1.10 3.28 0.17 2.71 5.65 0.70 -4.81 115.29 121.88 2aqj s HIS 101 Ca 0.20 -1.28 -0.07 0.00 0.25 0.00 0.00 55.06 54.16 2aqj s HIS 101 Cb -0.12 -2.56 -0.06 0.00 -1.18 0.00 0.00 32.58 28.66 2aqj s HIS 101 CO 0.10 -0.74 0.45 -0.51 -0.65 0.00 0.00 174.74 173.39 2aqj s LEU 102 N 1.47 4.24 0.64 8.88 1.43 -1.26 -1.62 118.68 132.45 2aqj s LEU 102 Ca 0.01 0.74 -0.15 0.00 -1.03 0.00 0.00 54.13 53.70 2aqj s LEU 102 Cb -0.21 -3.43 -0.01 0.00 0.03 0.00 0.00 46.19 42.57 2aqj s LEU 102 CO 0.04 0.01 1.10 -0.36 0.23 0.00 0.00 176.35 177.37 2aqj s PHE 103 N -1.70 2.73 0.00 0.29 0.08 -1.22 -4.89 117.98 113.28 2aqj s PHE 103 Ca 0.43 1.54 0.00 0.00 0.12 0.00 0.00 56.93 59.02 2aqj s PHE 103 Cb -0.12 -3.12 0.00 0.00 -0.57 0.00 0.00 43.02 39.21 2aqj s PHE 103 CO 0.23 -1.51 0.00 0.41 -0.10 0.00 0.00 175.22 174.24 2aqj n GLY 104 N -0.64 1.57 3.89 4.36 0.00 -1.26 -4.77 105.19 108.34 2aqj n GLY 104 Ca 0.10 -1.93 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 2aqj n GLY 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2aqj s ASN 105 N -0.23 6.46 0.16 1.61 2.47 -1.26 -4.86 114.94 119.29 2aqj s ASN 105 Ca 0.00 0.49 -0.29 0.00 0.42 0.00 0.00 52.86 53.48 2aqj s ASN 105 Cb 0.00 -2.06 -0.07 0.00 -1.45 0.00 0.00 41.25 37.67 2aqj s ASN 105 CO 0.00 0.22 0.92 -0.69 -3.72 0.00 0.00 177.10 173.83 2aqj s VAL 106 N -1.38 4.33 0.78 -5.21 1.01 -1.26 -4.95 120.40 113.72 2aqj s VAL 106 Ca 0.30 2.01 -0.13 0.00 0.00 0.00 0.00 61.98 64.16 2aqj s VAL 106 Cb -0.13 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.02 2aqj s VAL 106 CO 0.19 0.41 1.18 -2.84 0.00 0.00 0.00 175.10 174.04 2aqj s PRO 107 N -0.59 1.90 0.07 2.72 0.02 -1.26 -4.77 135.00 133.09 2aqj s PRO 107 Ca 0.43 1.64 0.03 0.00 0.02 0.00 0.00 61.00 63.12 2aqj s PRO 107 Cb -0.24 -1.82 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 2aqj s PRO 107 CO 0.30 -1.99 0.09 -0.80 -0.33 0.00 0.00 177.00 174.26 2aqj s ASN 108 N -2.33 5.58 -0.20 2.53 0.01 -1.26 -1.09 114.94 118.18 2aqj s ASN 108 Ca 0.71 0.02 -0.00 0.00 -0.71 0.00 0.00 52.86 52.87 2aqj s ASN 108 Cb -0.26 -1.52 0.05 0.00 0.41 0.00 0.00 41.25 39.93 2aqj s ASN 108 CO 0.49 0.18 -0.04 0.00 -1.51 0.00 0.00 177.10 176.22 2aqj n ASP 110 N 4.79 -1.93 0.00 0.00 8.00 -1.26 -2.21 116.55 123.95 2aqj n ASP 110 Ca -0.12 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.49 2aqj n ASP 110 Cb 0.46 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 2aqj n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aqj n GLY 111 N -1.71 0.81 3.17 0.44 0.00 -1.26 -5.02 105.19 101.62 2aqj n GLY 111 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 2aqj n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aqj s VAL 112 N -3.15 1.81 0.63 1.61 1.01 -0.94 -5.08 120.40 116.30 2aqj s VAL 112 Ca 0.00 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 2aqj s VAL 112 Cb 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2aqj s VAL 112 CO 0.00 0.50 1.19 -2.16 0.00 0.00 0.00 175.10 174.64 2aqj s PRO 113 N 0.38 2.77 0.59 2.72 0.04 -1.26 0.04 135.00 140.28 2aqj s PRO 113 Ca -0.16 1.75 0.33 0.00 0.04 0.00 0.00 61.00 62.96 2aqj s PRO 113 Cb -0.17 -1.91 1.86 0.00 0.04 0.00 0.00 34.50 34.31 2aqj s PRO 113 CO 0.07 -1.34 2.22 -0.07 0.04 0.00 0.00 177.00 177.92 2aqj h LEU 114 N 0.52 0.00 -1.23 -3.56 4.07 -1.41 -0.84 115.31 112.86 2aqj h LEU 114 Ca -0.49 0.00 0.18 0.00 0.08 0.00 0.00 57.88 57.65 2aqj h LEU 114 Cb 1.29 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.95 2aqj h LEU 114 CO 0.54 0.03 0.61 0.71 -1.08 0.00 0.00 178.44 179.25 2aqj h THR 115 N 0.00 0.74 0.05 0.22 1.35 -1.90 0.10 112.91 113.47 2aqj h THR 115 Ca -0.00 -0.22 -0.23 0.00 -0.55 0.00 0.00 66.41 65.41 2aqj h THR 115 Cb 0.13 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.57 2aqj h THR 115 CO 0.00 0.12 -1.06 0.45 -0.25 0.00 0.00 175.52 174.78 2aqj h HIS 116 N 0.65 0.25 -0.23 4.73 3.86 -1.50 -1.39 115.15 121.52 2aqj h HIS 116 Ca 0.51 -0.17 -0.13 0.00 -1.16 0.00 0.00 60.37 59.42 2aqj h HIS 116 Cb 0.93 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 2aqj h HIS 116 CO -0.00 1.09 -0.41 1.88 0.86 0.00 0.00 177.93 181.35 2aqj h TYR 117 N 0.05 0.64 -0.59 2.45 0.05 -1.46 -2.71 116.97 115.39 2aqj h TYR 117 Ca -0.06 -0.19 -0.00 0.00 0.05 0.00 0.00 58.73 58.53 2aqj h TYR 117 Cb 1.78 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 39.35 2aqj h TYR 117 CO 0.03 0.86 0.35 2.35 -1.05 0.00 0.00 178.16 180.71 2aqj h TRP 118 N 0.44 0.79 -0.81 4.88 7.01 -0.61 -1.89 115.95 125.76 2aqj h TRP 118 Ca 0.04 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 2aqj h TRP 118 Cb 0.91 -0.26 -0.04 0.00 -2.10 0.00 0.00 29.16 27.67 2aqj h TRP 118 CO 0.03 0.54 0.40 1.25 -2.79 0.00 0.00 178.44 177.87 2aqj h LEU 119 N 0.80 1.05 -1.00 0.65 5.85 -1.16 -0.04 115.31 121.45 2aqj h LEU 119 Ca 0.21 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 2aqj h LEU 119 Cb -0.01 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 2aqj h LEU 119 CO -0.04 0.88 0.38 -0.09 -0.34 0.00 0.00 178.44 179.23 2aqj h ARG 120 N 1.14 1.08 -0.46 1.25 2.43 -1.20 -0.07 114.38 118.54 2aqj h ARG 120 Ca 0.28 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2aqj h ARG 120 Cb 0.10 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2aqj h ARG 120 CO -0.04 0.83 0.11 0.87 -1.51 0.00 0.00 179.97 180.23 2aqj h LYS 121 N 1.08 0.75 -0.59 0.20 1.57 -0.51 -2.67 116.57 116.40 2aqj h LYS 121 Ca 0.27 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2aqj h LYS 121 Cb 0.09 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 2aqj h LYS 121 CO -0.04 0.74 0.39 -0.09 -0.57 0.00 0.00 179.45 179.88 2aqj h ARG 122 N 0.62 0.71 0.00 3.15 2.43 -0.27 0.30 114.38 121.32 2aqj h ARG 122 Ca 0.15 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 2aqj h ARG 122 Cb 0.33 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2aqj h ARG 122 CO 0.00 0.47 -0.10 0.93 -1.51 0.00 0.00 179.97 179.76 2aqj h GLU 123 N 0.73 0.00 -0.60 0.20 5.08 -0.70 -2.00 114.58 117.29 2aqj h GLU 123 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2aqj h GLU 123 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2aqj h GLU 123 CO -0.06 0.10 0.00 1.04 -1.00 0.00 0.00 179.01 179.10 2aqj n GLN 124 N -4.05 2.65 0.00 2.33 6.02 0.96 -4.91 117.38 120.38 2aqj n GLN 124 Ca -0.02 -2.18 0.00 0.00 -0.01 0.00 0.00 57.00 54.78 2aqj n GLN 124 Cb 0.19 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.89 2aqj n GLN 124 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2aqj n GLY 125 N 1.29 0.56 3.67 1.08 0.00 -0.75 -5.06 105.19 105.97 2aqj n GLY 125 Ca 0.20 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.76 2aqj n GLY 125 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2aqj n PHE 126 N -1.34 2.25 0.20 1.61 7.35 -0.56 -4.90 117.46 122.08 2aqj n PHE 126 Ca 0.00 0.29 0.11 0.00 -0.76 0.00 0.00 57.45 57.09 2aqj n PHE 126 Cb 0.00 -2.53 -0.10 0.00 0.35 0.00 0.00 39.48 37.19 2aqj n PHE 126 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2aqj n GLN 127 N 3.30 0.53 -2.08 -4.13 1.13 -1.26 -4.39 117.38 110.47 2aqj n GLN 127 Ca 0.17 -0.09 -0.41 0.00 -1.94 0.00 0.00 57.00 54.73 2aqj n GLN 127 Cb 0.29 -1.59 -0.02 0.00 0.11 0.00 0.00 30.24 29.03 2aqj n GLN 127 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 2aqj s GLN 128 N -3.39 4.32 0.64 -1.09 0.74 -1.26 -4.96 119.66 114.66 2aqj s GLN 128 Ca -0.03 2.22 -0.18 0.00 0.05 0.00 0.00 55.36 57.42 2aqj s GLN 128 Cb 0.13 -3.12 -0.01 0.00 1.10 0.00 0.00 33.01 31.11 2aqj s GLN 128 CO 0.87 -0.33 1.25 -2.14 -0.55 0.00 0.00 175.29 174.39 2aqj s PRO 129 N -0.61 2.63 0.18 1.67 0.02 -1.26 -4.82 135.00 132.82 2aqj s PRO 129 Ca 0.56 1.93 -0.17 0.00 0.02 0.00 0.00 61.00 63.34 2aqj s PRO 129 Cb -0.40 -1.87 0.14 0.00 0.02 0.00 0.00 34.50 32.39 2aqj s PRO 129 CO 0.44 -1.50 1.63 1.98 -0.33 0.00 0.00 177.00 179.22 2aqj h MET 130 N 0.52 -0.08 0.00 5.54 1.85 -1.94 -1.92 114.93 118.90 2aqj h MET 130 Ca -0.50 0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 58.49 2aqj h MET 130 Cb 1.32 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.35 2aqj h MET 130 CO 0.53 -0.05 -0.48 1.05 -0.40 0.00 0.00 176.91 177.56 2aqj h GLU 131 N -0.08 0.00 0.00 0.39 9.09 -1.91 0.60 114.58 122.66 2aqj h GLU 131 Ca 0.23 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.54 2aqj h GLU 131 Cb 0.44 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.53 2aqj h GLU 131 CO -0.55 0.48 -0.50 1.88 0.05 0.00 0.00 179.01 180.37 2aqj h TYR 132 N 0.00 0.00 0.08 2.06 0.05 -1.70 -2.33 116.97 115.13 2aqj h TYR 132 Ca -0.00 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.49 2aqj h TYR 132 Cb 0.93 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.69 2aqj h TYR 132 CO 0.00 0.50 -1.17 0.00 -1.05 0.00 0.00 178.16 176.44 2aqj h ALA 133 N 1.50 0.08 0.00 3.88 0.00 -0.56 -3.40 119.26 120.76 2aqj h ALA 133 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2aqj h ALA 133 Cb 0.95 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2aqj h ALA 133 CO 0.07 0.73 -1.10 0.00 0.00 0.00 0.00 179.25 178.95 2aqj s TYR 135 N -3.08 1.27 -0.66 0.00 2.02 -0.88 -4.69 117.35 111.34 2aqj s TYR 135 Ca 0.06 -0.27 0.26 0.00 -0.37 0.00 0.00 57.07 56.74 2aqj s TYR 135 Cb 0.16 -0.80 0.81 0.00 -0.40 0.00 0.00 41.96 41.73 2aqj s TYR 135 CO 0.86 -0.00 1.76 -1.00 -1.57 0.00 0.00 175.55 175.60 2aqj h PRO 136 N 5.52 0.00 0.00 -1.71 0.13 -1.85 -3.40 132.00 130.69 2aqj h PRO 136 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2aqj h PRO 136 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2aqj h PRO 136 CO 0.47 0.00 -1.39 0.00 -0.23 0.00 0.00 178.00 176.85 2aqj n GLN 137 N -2.34 0.46 -0.35 0.86 0.00 -1.26 -3.91 117.38 110.84 2aqj n GLN 137 Ca 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 57.00 56.97 2aqj n GLN 137 Cb 0.41 -1.47 0.15 0.00 0.00 0.00 0.00 30.24 29.32 2aqj n GLN 137 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 2aqj h PRO 138 N 0.00 1.10 -0.47 2.61 0.11 -1.86 -0.68 132.00 132.80 2aqj h PRO 138 Ca 0.00 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 2aqj h PRO 138 Cb 0.69 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 2aqj h PRO 138 CO 0.00 0.73 0.13 0.78 -0.21 0.00 0.00 178.00 179.43 2aqj h GLY 139 N 1.14 0.76 1.28 -0.55 0.00 -1.92 -0.11 103.07 103.66 2aqj h GLY 139 Ca 0.40 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 2aqj h GLY 139 CO -0.15 0.39 0.24 0.00 0.00 0.00 0.00 176.54 177.01 2aqj h ALA 140 N 1.45 1.24 -0.50 3.60 0.00 -1.44 -1.58 119.26 122.03 2aqj h ALA 140 Ca 0.16 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2aqj h ALA 140 Cb 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2aqj h ALA 140 CO -0.01 0.55 -0.17 -0.07 0.00 0.00 0.00 179.25 179.56 2aqj h LEU 141 N 0.90 1.01 -1.10 0.00 3.38 -0.38 -1.00 115.31 118.13 2aqj h LEU 141 Ca 0.21 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 57.93 2aqj h LEU 141 Cb 0.19 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 2aqj h LEU 141 CO -0.02 1.15 0.61 0.44 0.09 0.00 0.00 178.44 180.72 2aqj h ASP 142 N 0.87 0.87 -0.12 -0.43 3.32 -0.68 -0.31 116.42 119.94 2aqj h ASP 142 Ca 0.12 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.21 2aqj h ASP 142 Cb 0.74 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2aqj h ASP 142 CO 0.06 0.48 0.00 0.61 -1.72 0.00 0.00 179.24 178.67 2aqj n GLY 143 N -1.38 -0.35 3.62 2.75 0.00 -0.63 -4.90 105.19 104.30 2aqj n GLY 143 Ca 0.17 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 2aqj n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2aqj n LYS 144 N -0.16 -6.94 -2.88 1.61 5.02 -0.13 -4.89 118.16 109.79 2aqj n LYS 144 Ca 0.09 0.77 -0.30 0.00 -2.02 0.00 0.00 58.31 56.85 2aqj n LYS 144 Cb 0.15 -5.76 -0.03 0.00 -0.02 0.00 0.00 35.03 29.37 2aqj n LYS 144 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2aqj s LEU 145 N -7.23 3.84 0.72 -0.35 1.43 -0.45 -0.69 118.68 115.96 2aqj s LEU 145 Ca 0.58 1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 54.69 2aqj s LEU 145 Cb -0.27 -4.00 0.03 0.00 0.03 0.00 0.00 46.19 41.98 2aqj s LEU 145 CO 0.72 -0.39 1.09 0.00 0.23 0.00 0.00 176.35 177.99 2aqj s ALA 146 N -2.35 2.41 -2.06 4.21 0.00 -0.22 -4.33 121.76 119.42 2aqj s ALA 146 Ca 0.51 0.29 0.31 0.00 0.00 0.00 0.00 51.96 53.07 2aqj s ALA 146 Cb -0.10 -3.26 1.79 0.00 0.00 0.00 0.00 23.12 21.55 2aqj s ALA 146 CO 0.31 -1.51 2.16 -0.35 0.00 0.00 0.00 175.76 176.37 2aqj n PRO 147 N -3.15 1.08 -4.09 0.00 -0.04 -1.26 -4.84 135.00 122.70 2aqj n PRO 147 Ca 0.09 -0.13 -0.13 0.00 -0.04 0.00 0.00 63.50 63.29 2aqj n PRO 147 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 2aqj n PRO 147 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aqj s LEU 149 N -1.94 1.54 0.50 0.00 1.43 -0.19 -4.34 118.68 115.69 2aqj s LEU 149 Ca -0.05 1.50 0.16 0.00 -1.03 0.00 0.00 54.13 54.72 2aqj s LEU 149 Cb -0.06 -3.64 1.22 0.00 0.03 0.00 0.00 46.19 43.74 2aqj s LEU 149 CO -0.01 -3.49 2.10 0.28 0.23 0.00 0.00 176.35 175.46 2aqj h SER 150 N -2.13 0.09 -0.01 2.29 0.02 -1.90 -0.06 113.55 111.84 2aqj h SER 150 Ca -0.55 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2aqj h SER 150 Cb 1.31 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2aqj h SER 150 CO 0.52 0.06 0.00 -0.90 -1.14 0.00 0.00 176.83 175.37 2aqj n ASP 151 N -4.50 0.07 0.00 3.07 5.68 -1.26 -4.89 116.55 114.71 2aqj n ASP 151 Ca 0.01 -1.53 0.00 0.00 -0.50 0.00 0.00 54.79 52.77 2aqj n ASP 151 Cb 0.19 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.17 2aqj n ASP 151 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aqj n GLY 152 N 0.76 0.91 3.65 6.12 0.00 -0.03 -5.03 105.19 111.57 2aqj n GLY 152 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2aqj n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aqj s THR 153 N -2.95 3.53 0.31 2.61 2.01 -1.26 -4.74 115.64 115.16 2aqj s THR 153 Ca 0.00 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 2aqj s THR 153 Cb 0.00 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 68.97 2aqj s THR 153 CO 0.00 -0.09 1.39 -0.60 -0.69 0.00 0.00 174.62 174.63 2aqj s ARG 154 N 4.26 4.27 -0.00 4.92 3.52 -1.26 -1.02 118.95 133.64 2aqj s ARG 154 Ca 0.75 2.32 0.01 0.00 -0.13 0.00 0.00 55.73 58.68 2aqj s ARG 154 Cb -0.33 -3.06 -0.01 0.00 -1.56 0.00 0.00 34.95 29.99 2aqj s ARG 154 CO 0.31 -0.34 0.03 1.04 -0.81 0.00 0.00 175.30 175.52 2aqj n GLN 155 N 1.26 5.99 -3.52 5.12 1.13 0.72 -4.87 117.38 123.21 2aqj n GLN 155 Ca 0.03 -0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.95 2aqj n GLN 155 Cb 0.41 -0.59 -0.04 0.00 0.11 0.00 0.00 30.24 30.13 2aqj n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2aqj s MET 156 N -1.18 1.13 0.35 -1.09 0.23 -1.13 -5.02 119.30 112.59 2aqj s MET 156 Ca 0.00 -0.31 -0.29 0.00 -1.03 0.00 0.00 55.69 54.07 2aqj s MET 156 Cb 0.00 0.52 -0.11 0.00 -1.53 0.00 0.00 34.83 33.72 2aqj s MET 156 CO 0.03 -0.44 1.40 -1.12 -2.03 0.00 0.00 175.02 172.85 2aqj s SER 157 N -2.24 6.57 0.25 -1.18 0.01 -1.26 -4.92 113.70 110.92 2aqj s SER 157 Ca -0.03 2.85 -0.21 0.00 1.31 0.00 0.00 55.95 59.88 2aqj s SER 157 Cb -0.00 -2.66 0.03 0.00 0.21 0.00 0.00 66.02 63.60 2aqj s SER 157 CO -0.05 -0.70 0.67 -1.38 0.41 0.00 0.00 173.24 172.19 2aqj s HIS 158 N -1.04 -0.21 0.00 2.43 -3.43 -1.26 -4.72 115.29 107.05 2aqj s HIS 158 Ca 0.51 -0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.59 2aqj s HIS 158 Cb -0.43 0.63 0.00 0.00 -1.43 0.00 0.00 32.58 31.35 2aqj s HIS 158 CO 0.57 -1.13 0.00 0.00 -2.00 0.00 0.00 174.74 172.17 2aqj n ALA 159 N -0.43 0.00 -2.54 -1.38 0.00 0.22 -4.33 120.51 112.04 2aqj n ALA 159 Ca -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 2aqj n ALA 159 Cb 0.60 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.95 2aqj n ALA 159 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2aqj s TRP 160 N 1.37 0.69 -0.05 0.00 0.51 -1.26 -0.97 118.94 119.22 2aqj s TRP 160 Ca 0.00 -0.71 0.03 0.00 -2.12 0.00 0.00 56.10 53.30 2aqj s TRP 160 Cb 0.00 -0.42 -0.03 0.00 -0.81 0.00 0.00 33.47 32.22 2aqj s TRP 160 CO 0.00 -0.15 -0.14 -1.01 -0.51 0.00 0.00 176.95 175.14 2aqj s HIS 161 N -2.47 2.73 0.27 -1.98 3.76 -0.17 -1.33 115.29 116.10 2aqj s HIS 161 Ca -0.01 -0.16 -0.19 0.00 -0.15 0.00 0.00 55.06 54.55 2aqj s HIS 161 Cb -0.03 -1.64 0.01 0.00 1.11 0.00 0.00 32.58 32.03 2aqj s HIS 161 CO -0.03 0.18 0.65 -0.59 -0.85 0.00 0.00 174.74 174.11 2aqj s PHE 162 N -0.70 -0.04 -0.43 1.40 -0.12 -0.56 -0.13 117.98 117.41 2aqj s PHE 162 Ca 0.11 -0.39 -0.29 0.00 -0.05 0.00 0.00 56.93 56.31 2aqj s PHE 162 Cb -0.11 0.56 0.03 0.00 -0.63 0.00 0.00 43.02 42.87 2aqj s PHE 162 CO 0.01 -1.17 1.10 0.34 -0.05 0.00 0.00 175.22 175.45 2aqj s ASP 163 N -2.95 6.70 0.34 1.98 -1.08 -1.01 -1.48 116.67 119.18 2aqj s ASP 163 Ca 0.14 0.60 0.11 0.00 -0.52 0.00 0.00 52.55 52.89 2aqj s ASP 163 Cb -0.04 -2.54 0.61 0.00 -1.46 0.00 0.00 42.92 39.48 2aqj s ASP 163 CO 0.07 -1.13 1.76 0.00 0.52 0.00 0.00 175.17 176.40 2aqj h ALA 164 N 8.89 1.26 -0.58 3.66 0.00 -1.89 -1.77 119.26 128.84 2aqj h ALA 164 Ca -0.22 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 2aqj h ALA 164 Cb 1.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2aqj h ALA 164 CO 1.09 0.55 0.12 0.45 0.00 0.00 0.00 179.25 181.45 2aqj h HIS 165 N 0.03 0.99 -0.23 0.00 3.86 -1.90 -2.15 115.15 115.75 2aqj h HIS 165 Ca -0.00 -0.13 -0.09 0.00 -1.16 0.00 0.00 60.37 58.99 2aqj h HIS 165 Cb 0.77 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 2aqj h HIS 165 CO 0.00 0.86 -0.24 -0.07 0.86 0.00 0.00 177.93 179.34 2aqj h LEU 166 N 0.84 0.42 -0.08 2.43 3.38 -1.74 -0.08 115.31 120.49 2aqj h LEU 166 Ca 0.18 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2aqj h LEU 166 Cb 0.38 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2aqj h LEU 166 CO 0.01 0.67 0.02 0.58 0.09 0.00 0.00 178.44 179.80 2aqj h VAL 167 N 0.38 1.19 -0.44 1.22 2.07 -1.16 0.25 116.25 119.76 2aqj h VAL 167 Ca 0.06 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.05 2aqj h VAL 167 Cb 0.63 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 2aqj h VAL 167 CO 0.04 0.17 0.14 0.00 0.02 0.00 0.00 177.57 177.94 2aqj h ALA 168 N 0.81 0.52 -0.74 1.67 0.00 -1.10 -1.58 119.26 118.84 2aqj h ALA 168 Ca 0.03 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2aqj h ALA 168 Cb 0.24 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2aqj h ALA 168 CO 0.00 -0.25 0.47 -0.44 0.00 0.00 0.00 179.25 179.03 2aqj h ASP 169 N 0.30 0.87 -0.28 0.00 3.32 -0.90 0.63 116.42 120.37 2aqj h ASP 169 Ca 0.21 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2aqj h ASP 169 Cb 0.22 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2aqj h ASP 169 CO -0.23 0.66 0.12 0.15 -1.72 0.00 0.00 179.24 178.22 2aqj h PHE 170 N 1.01 0.41 -0.21 4.55 3.57 -0.61 -1.86 116.94 123.81 2aqj h PHE 170 Ca 0.27 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.61 2aqj h PHE 170 Cb -0.08 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 2aqj h PHE 170 CO -0.02 0.39 -0.44 -0.07 -2.23 0.00 0.00 178.31 175.95 2aqj h LEU 171 N 0.31 0.54 -0.09 0.59 3.38 -1.12 -1.52 115.31 117.40 2aqj h LEU 171 Ca 0.09 -0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.86 2aqj h LEU 171 Cb 0.15 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2aqj h LEU 171 CO -0.01 0.91 -0.22 0.50 0.09 0.00 0.00 178.44 179.71 2aqj h LYS 172 N 0.41 -0.29 -0.45 1.13 3.64 -0.68 0.25 116.57 120.58 2aqj h LYS 172 Ca 0.03 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2aqj h LYS 172 Cb 0.93 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 2aqj h LYS 172 CO 0.08 -0.19 0.27 0.00 -2.27 0.00 0.00 179.45 177.34 2aqj h ARG 173 N -0.30 0.54 -0.35 1.90 3.08 -1.16 -1.09 114.38 117.00 2aqj h ARG 173 Ca 0.09 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2aqj h ARG 173 Cb 0.43 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 2aqj h ARG 173 CO -0.26 0.36 0.18 2.35 -1.07 0.00 0.00 179.97 181.52 2aqj h TRP 174 N 0.55 0.49 -0.21 3.04 7.01 -0.88 -2.32 115.95 123.63 2aqj h TRP 174 Ca 0.18 -0.02 -0.10 0.00 2.11 0.00 0.00 58.89 61.06 2aqj h TRP 174 Cb -0.01 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 26.90 2aqj h TRP 174 CO -0.06 0.41 -0.25 0.00 -2.79 0.00 0.00 178.44 175.75 2aqj h ALA 175 N 1.04 0.32 -0.70 2.65 0.00 -0.34 -2.98 119.26 119.23 2aqj h ALA 175 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2aqj h ALA 175 Cb 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2aqj h ALA 175 CO -0.02 0.30 0.45 0.28 0.00 0.00 0.00 179.25 180.26 2aqj h VAL 176 N 0.23 1.19 0.00 0.00 2.07 -1.20 -1.27 116.25 117.26 2aqj h VAL 176 Ca 0.03 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2aqj h VAL 176 Cb 0.81 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2aqj h VAL 176 CO 0.06 0.19 -0.06 -0.08 0.02 0.00 0.00 177.57 177.70 2aqj h GLU 177 N 0.95 0.00 -0.65 1.57 4.57 -1.39 -2.00 114.58 117.63 2aqj h GLU 177 Ca 0.26 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 2aqj h GLU 177 Cb -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 2aqj h GLU 177 CO -0.05 0.06 0.00 0.54 -1.18 0.00 0.00 179.01 178.38 2aqj n ARG 178 N -3.70 3.22 0.00 1.92 1.74 -0.53 -4.92 116.66 114.40 2aqj n ARG 178 Ca -0.02 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 54.51 2aqj n ARG 178 Cb 0.16 -1.75 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 2aqj n ARG 178 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aqj n GLY 179 N 1.22 0.77 3.69 -0.13 0.00 -0.75 -5.06 105.19 104.93 2aqj n GLY 179 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 2aqj n GLY 179 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aqj s VAL 180 N -2.00 3.43 -0.26 1.61 1.01 -0.89 -4.67 120.40 118.62 2aqj s VAL 180 Ca 0.00 0.84 -0.25 0.00 0.00 0.00 0.00 61.98 62.57 2aqj s VAL 180 Cb 0.00 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 2aqj s VAL 180 CO 0.00 -0.00 0.84 0.20 0.00 0.00 0.00 175.10 176.14 2aqj s ASN 181 N 2.13 6.80 -0.18 3.32 0.01 0.43 -4.36 114.94 123.08 2aqj s ASN 181 Ca 0.68 0.95 -0.07 0.00 -0.71 0.00 0.00 52.86 53.71 2aqj s ASN 181 Cb -0.35 -2.44 -0.04 0.00 0.41 0.00 0.00 41.25 38.83 2aqj s ASN 181 CO 0.29 -0.57 0.06 -0.60 -1.51 0.00 0.00 177.10 174.77 2aqj s ARG 182 N 2.95 3.96 -0.17 -0.60 3.52 -1.26 -0.09 118.95 127.26 2aqj s ARG 182 Ca 0.35 -0.35 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 2aqj s ARG 182 Cb -0.15 -3.22 0.02 0.00 -1.56 0.00 0.00 34.95 30.04 2aqj s ARG 182 CO 0.09 0.26 -0.18 0.08 -0.81 0.00 0.00 175.30 174.73 2aqj s VAL 183 N 0.42 1.90 -0.52 7.11 1.01 0.21 -4.96 120.40 125.56 2aqj s VAL 183 Ca 0.03 -0.84 -0.18 0.00 0.00 0.00 0.00 61.98 60.99 2aqj s VAL 183 Cb -0.12 -1.73 0.07 0.00 0.00 0.00 0.00 36.38 34.60 2aqj s VAL 183 CO 0.00 0.51 0.60 -0.69 0.00 0.00 0.00 175.10 175.53 2aqj s VAL 184 N 1.33 4.93 0.10 2.92 1.01 -1.26 -1.48 120.40 127.96 2aqj s VAL 184 Ca 0.05 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 2aqj s VAL 184 Cb -0.13 -4.32 0.09 0.00 0.00 0.00 0.00 36.38 32.02 2aqj s VAL 184 CO -0.12 -0.85 1.11 -0.62 0.00 0.00 0.00 175.10 174.62 2aqj s ASP 185 N 2.94 -0.05 -0.09 3.32 2.15 -0.63 -4.89 116.67 119.42 2aqj s ASP 185 Ca 0.12 -0.43 0.01 0.00 0.43 0.00 0.00 52.55 52.69 2aqj s ASP 185 Cb -0.22 0.37 0.02 0.00 -0.30 0.00 0.00 42.92 42.79 2aqj s ASP 185 CO 0.09 -0.72 -0.12 -0.70 -0.17 0.00 0.00 175.17 173.55 2aqj s GLU 186 N -2.46 1.83 0.02 4.34 2.12 -1.26 -2.28 118.70 121.01 2aqj s GLU 186 Ca 0.19 -0.43 -0.30 0.00 0.36 0.00 0.00 54.97 54.79 2aqj s GLU 186 Cb -0.00 -1.61 -0.05 0.00 0.26 0.00 0.00 34.13 32.73 2aqj s GLU 186 CO 0.02 -0.07 1.30 0.08 -0.54 0.00 0.00 175.26 176.04 2aqj s VAL 187 N 1.01 3.87 -0.04 3.70 1.01 -1.26 0.56 120.40 129.25 2aqj s VAL 187 Ca -0.07 1.29 0.07 0.00 0.00 0.00 0.00 61.98 63.26 2aqj s VAL 187 Cb -0.15 -3.83 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 2aqj s VAL 187 CO -0.01 0.04 0.09 1.33 0.00 0.00 0.00 175.10 176.55 2aqj n VAL 188 N 4.35 0.25 -3.83 2.92 0.24 0.21 -4.86 118.33 117.61 2aqj n VAL 188 Ca 0.11 -0.23 -0.11 0.00 -2.04 0.00 0.00 64.34 62.07 2aqj n VAL 188 Cb 0.45 -0.29 -0.09 0.00 -1.47 0.00 0.00 33.84 32.45 2aqj n VAL 188 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2aqj s ASP 189 N -3.38 -0.02 -0.10 -1.34 1.01 -0.38 -5.00 116.67 107.47 2aqj s ASP 189 Ca -0.03 -0.25 0.00 0.00 0.71 0.00 0.00 52.55 52.98 2aqj s ASP 189 Cb 0.03 0.28 0.02 0.00 1.01 0.00 0.00 42.92 44.27 2aqj s ASP 189 CO 0.29 -0.51 -0.09 -0.69 0.21 0.00 0.00 175.17 174.38 2aqj s VAL 190 N -2.15 1.05 -0.21 -1.27 1.01 -1.26 0.87 120.40 118.44 2aqj s VAL 190 Ca -0.08 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 2aqj s VAL 190 Cb -0.03 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 2aqj s VAL 190 CO -0.02 0.36 0.16 -0.13 0.00 0.00 0.00 175.10 175.48 2aqj s ARG 191 N 1.37 4.15 -0.00 2.72 3.00 -0.18 -5.00 118.95 125.01 2aqj s ARG 191 Ca -0.01 -0.20 0.01 0.00 0.00 0.00 0.00 55.73 55.53 2aqj s ARG 191 Cb -0.14 -3.47 -0.04 0.00 0.00 0.00 0.00 34.95 31.31 2aqj s ARG 191 CO -0.05 0.19 0.04 -0.51 0.00 0.00 0.00 175.30 174.98 2aqj s LEU 192 N 0.66 3.69 1.04 2.53 1.43 -1.26 0.10 118.68 126.88 2aqj s LEU 192 Ca 0.09 0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 2aqj s LEU 192 Cb -0.12 -2.14 0.22 0.00 0.03 0.00 0.00 46.19 44.18 2aqj s LEU 192 CO 0.01 0.27 1.20 0.54 0.23 0.00 0.00 176.35 178.61 2aqj s ASN 193 N -1.66 2.39 0.49 2.29 2.20 0.17 -4.84 114.94 115.99 2aqj s ASN 193 Ca 0.21 0.56 0.20 0.00 -0.94 0.00 0.00 52.86 52.90 2aqj s ASN 193 Cb -0.12 -0.80 1.27 0.00 -2.00 0.00 0.00 41.25 39.59 2aqj s ASN 193 CO 0.12 -3.21 2.07 0.78 -2.94 0.00 0.00 177.10 173.92 2aqj h ASN 194 N -1.96 0.00 0.91 3.54 4.21 -2.00 -1.18 115.58 119.09 2aqj h ASN 194 Ca -0.46 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.05 2aqj h ASN 194 Cb 1.28 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.48 2aqj h ASN 194 CO 0.42 0.12 0.00 0.54 -1.29 0.00 0.00 177.43 177.22 2aqj n ARG 195 N -4.09 0.04 -0.07 0.81 1.74 -1.26 -4.92 116.66 108.91 2aqj n ARG 195 Ca -0.02 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2aqj n ARG 195 Cb 0.21 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 2aqj n ARG 195 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2aqj n GLY 196 N 1.00 0.66 3.81 -0.13 0.00 -0.45 -5.08 105.19 105.00 2aqj n GLY 196 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2aqj n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aqj s TYR 197 N -2.10 3.46 -0.04 1.61 1.51 -1.26 -4.81 117.35 115.71 2aqj s TYR 197 Ca 0.00 1.66 -0.30 0.00 -1.01 0.00 0.00 57.07 57.42 2aqj s TYR 197 Cb 0.00 -2.86 -0.06 0.00 -0.11 0.00 0.00 41.96 38.93 2aqj s TYR 197 CO 0.00 0.02 1.65 0.42 -1.11 0.00 0.00 175.55 176.53 2aqj s ILE 198 N -1.96 3.55 -0.18 2.71 1.01 -1.26 -0.65 121.20 124.41 2aqj s ILE 198 Ca 0.57 0.70 -0.23 0.00 0.00 0.00 0.00 60.65 61.68 2aqj s ILE 198 Cb -0.13 -3.45 -0.21 0.00 0.01 0.00 0.00 42.46 38.69 2aqj s ILE 198 CO 0.17 -0.06 0.38 0.28 0.00 0.00 0.00 174.94 175.71 2aqj h SER 199 N 9.43 0.00 -5.01 3.58 0.02 -0.66 -3.46 113.55 117.45 2aqj h SER 199 Ca -0.39 -0.65 0.06 0.00 -0.84 0.00 0.00 61.79 59.97 2aqj h SER 199 Cb 1.18 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.63 2aqj h SER 199 CO 0.95 1.31 0.30 0.54 -1.14 0.00 0.00 176.83 178.79 2aqj s ASN 200 N -6.62 -0.36 -0.11 3.07 2.20 -1.11 -4.46 114.94 107.56 2aqj s ASN 200 Ca -0.25 -0.29 0.02 0.00 -0.94 0.00 0.00 52.86 51.39 2aqj s ASN 200 Cb 0.03 0.60 -0.01 0.00 -2.00 0.00 0.00 41.25 39.87 2aqj s ASN 200 CO 0.61 -1.06 -0.16 -0.76 -2.94 0.00 0.00 177.10 172.79 2aqj s LEU 201 N -2.81 2.56 -0.19 3.54 1.43 0.37 -1.01 118.68 122.58 2aqj s LEU 201 Ca 0.07 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 52.73 2aqj s LEU 201 Cb -0.03 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.60 2aqj s LEU 201 CO -0.03 0.20 0.10 -0.22 0.23 0.00 0.00 176.35 176.63 2aqj s LEU 202 N 0.14 4.03 0.36 1.79 2.96 0.25 -0.34 118.68 127.87 2aqj s LEU 202 Ca -0.08 0.17 0.08 0.00 -0.22 0.00 0.00 54.13 54.08 2aqj s LEU 202 Cb -0.15 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 2aqj s LEU 202 CO 0.05 0.19 0.28 0.42 -1.32 0.00 0.00 176.35 175.97 2aqj s THR 203 N 0.27 3.12 0.24 3.68 -4.23 -0.24 0.64 115.64 119.11 2aqj s THR 203 Ca 0.06 -1.45 -0.07 0.00 -1.18 0.00 0.00 61.69 59.05 2aqj s THR 203 Cb -0.12 -3.08 0.23 0.00 1.34 0.00 0.00 72.50 70.87 2aqj s THR 203 CO -0.01 -0.12 1.90 0.50 -0.54 0.00 0.00 174.62 176.35 2aqj h LYS 204 N 1.27 1.25 -0.12 3.99 3.64 -0.22 -1.59 116.57 124.79 2aqj h LYS 204 Ca -0.43 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2aqj h LYS 204 Cb 1.26 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 2aqj h LYS 204 CO 0.60 0.85 0.00 0.39 -2.27 0.00 0.00 179.45 179.01 2aqj n GLU 205 N -4.40 1.20 -0.87 1.90 1.02 -1.26 -4.88 120.64 113.34 2aqj n GLU 205 Ca 0.10 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 2aqj n GLU 205 Cb 0.03 -1.09 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2aqj n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2aqj n GLY 206 N 0.61 0.51 3.77 0.62 0.00 -0.60 -5.04 105.19 105.06 2aqj n GLY 206 Ca 0.03 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 2aqj n GLY 206 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aqj s ARG 207 N -0.99 4.58 -0.30 1.61 0.52 -1.26 -4.84 118.95 118.28 2aqj s ARG 207 Ca 0.00 1.47 -0.04 0.00 -0.52 0.00 0.00 55.73 56.64 2aqj s ARG 207 Cb 0.00 -2.91 0.04 0.00 0.52 0.00 0.00 34.95 32.59 2aqj s ARG 207 CO 0.00 0.25 0.02 0.99 0.02 0.00 0.00 175.30 176.58 2aqj s THR 208 N -1.46 3.30 -0.19 0.02 2.01 -1.26 -1.07 115.64 116.98 2aqj s THR 208 Ca 0.49 -1.13 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 2aqj s THR 208 Cb -0.23 -2.81 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 2aqj s THR 208 CO 0.29 -0.02 0.19 -0.76 -0.69 0.00 0.00 174.62 173.63 2aqj s LEU 209 N 1.34 4.21 0.30 4.42 1.43 0.54 -4.89 118.68 126.03 2aqj s LEU 209 Ca -0.02 0.32 0.11 0.00 -1.03 0.00 0.00 54.13 53.51 2aqj s LEU 209 Cb -0.19 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.78 2aqj s LEU 209 CO -0.00 0.14 -0.15 -1.61 0.23 0.00 0.00 176.35 174.96 2aqj s GLU 210 N 0.46 1.78 -0.04 1.70 2.02 -1.26 -0.47 118.70 122.89 2aqj s GLU 210 Ca 0.11 -1.78 -0.30 0.00 0.02 0.00 0.00 54.97 53.02 2aqj s GLU 210 Cb -0.12 -1.80 0.11 0.00 0.10 0.00 0.00 34.13 32.43 2aqj s GLU 210 CO 0.01 0.28 1.06 0.00 0.02 0.00 0.00 175.26 176.63 2aqj s ALA 211 N -2.52 -1.94 0.03 5.21 0.00 -1.26 -4.80 121.76 116.48 2aqj s ALA 211 Ca 0.31 1.02 -0.05 0.00 0.00 0.00 0.00 51.96 53.24 2aqj s ALA 211 Cb -0.03 0.27 -0.29 0.00 0.00 0.00 0.00 23.12 23.07 2aqj s ALA 211 CO 0.16 -0.76 0.95 -0.44 0.00 0.00 0.00 175.76 175.67 2aqj h ASP 212 N 2.00 0.46 -3.57 0.00 3.32 -1.04 -3.47 116.42 114.13 2aqj h ASP 212 Ca -0.19 -0.57 -0.41 0.00 0.02 0.00 0.00 57.03 55.87 2aqj h ASP 212 Cb 1.21 -0.15 -0.33 0.00 0.22 0.00 0.00 39.33 40.28 2aqj h ASP 212 CO 0.27 1.46 -0.78 -0.22 -1.72 0.00 0.00 179.24 178.26 2aqj s LEU 213 N -7.11 1.52 -0.10 1.55 2.96 -0.89 -4.90 118.68 111.71 2aqj s LEU 213 Ca -0.08 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 2aqj s LEU 213 Cb 0.07 -0.48 -0.02 0.00 0.50 0.00 0.00 46.19 46.25 2aqj s LEU 213 CO 0.87 -0.01 -0.12 -0.36 -1.32 0.00 0.00 176.35 175.41 2aqj s PHE 214 N 0.64 2.80 -0.26 5.38 0.08 0.09 -1.23 117.98 125.48 2aqj s PHE 214 Ca -0.09 -0.42 -0.05 0.00 0.12 0.00 0.00 56.93 56.49 2aqj s PHE 214 Cb -0.12 -1.78 0.01 0.00 -0.57 0.00 0.00 43.02 40.55 2aqj s PHE 214 CO 0.01 -0.04 0.02 0.42 -0.10 0.00 0.00 175.22 175.52 2aqj s ILE 215 N -0.06 3.59 -0.63 0.64 -1.09 0.23 -1.24 121.20 122.65 2aqj s ILE 215 Ca -0.02 -0.67 -0.24 0.00 -2.23 0.00 0.00 60.65 57.49 2aqj s ILE 215 Cb -0.14 -2.78 0.05 0.00 -1.58 0.00 0.00 42.46 38.02 2aqj s ILE 215 CO 0.04 0.22 1.00 -0.62 -1.23 0.00 0.00 174.94 174.34 2aqj s ASP 216 N 1.46 6.24 -0.34 3.58 -1.08 0.15 -0.98 116.67 125.70 2aqj s ASP 216 Ca 0.03 -0.66 0.07 0.00 -0.52 0.00 0.00 52.55 51.47 2aqj s ASP 216 Cb -0.16 -2.44 0.47 0.00 -1.46 0.00 0.00 42.92 39.32 2aqj s ASP 216 CO -0.01 -1.41 1.41 0.00 0.52 0.00 0.00 175.17 175.69 2aqj n SER 218 N -0.92 0.00 0.00 0.00 3.41 -0.74 -4.11 113.62 111.26 2aqj n SER 218 Ca 0.41 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 2aqj n SER 218 Cb 0.92 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.85 2aqj n SER 218 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2aqj n GLY 219 N 0.92 -1.70 0.35 5.00 0.00 -1.26 -4.31 105.19 104.18 2aqj n GLY 219 Ca 0.22 -1.51 0.18 0.00 0.00 0.00 0.00 46.02 44.91 2aqj n GLY 219 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2aqj h MET 220 N 0.00 0.00 0.00 1.61 2.86 -1.95 -1.23 114.93 116.22 2aqj h MET 220 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2aqj h MET 220 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2aqj h MET 220 CO 0.00 0.00 0.00 0.07 1.06 0.00 0.00 176.91 178.04 2aqj h ARG 221 N 0.00 0.00 -6.65 1.72 0.11 -1.88 -3.46 114.38 104.22 2aqj h ARG 221 Ca 0.11 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.67 2aqj h ARG 221 Cb 0.67 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.77 2aqj h ARG 221 CO -0.00 0.00 -0.98 0.41 0.10 0.00 0.00 179.97 179.50 2aqj n GLY 222 N -0.29 -0.96 0.36 0.08 0.00 -0.51 -4.43 105.19 99.45 2aqj n GLY 222 Ca -0.00 0.41 0.09 0.00 0.00 0.00 0.00 46.02 46.52 2aqj n GLY 222 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2aqj h LEU 223 N -2.04 0.85 0.00 0.99 5.85 -1.87 -0.06 115.31 119.03 2aqj h LEU 223 Ca -0.67 0.06 -0.25 0.00 0.84 0.00 0.00 57.88 57.85 2aqj h LEU 223 Cb 1.38 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 2aqj h LEU 223 CO 0.48 0.42 -1.61 0.18 -0.34 0.00 0.00 178.44 177.57 2aqj n LEU 224 N -4.64 1.90 -0.14 2.25 4.77 -1.26 -2.14 117.00 117.74 2aqj n LEU 224 Ca 0.20 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.46 2aqj n LEU 224 Cb 0.42 -0.86 -0.01 0.00 -2.33 0.00 0.00 43.42 40.64 2aqj n LEU 224 CO 0.27 0.20 0.65 -0.29 -1.33 0.00 0.00 177.39 176.89 2aqj h ILE 225 N -1.00 1.28 0.00 -0.08 6.09 -1.92 0.42 117.51 122.30 2aqj h ILE 225 Ca -0.38 -1.36 -0.23 0.00 -1.37 0.00 0.00 64.86 61.52 2aqj h ILE 225 Cb 1.27 1.25 -0.03 0.00 0.47 0.00 0.00 36.82 39.77 2aqj h ILE 225 CO -0.23 0.46 -1.46 0.59 -3.07 0.00 0.00 178.15 174.44 2aqj n ASN 226 N -4.19 1.89 -0.01 2.19 5.03 -0.15 -1.12 115.26 118.90 2aqj n ASN 226 Ca -0.01 0.43 -0.16 0.00 0.87 0.00 0.00 54.58 55.70 2aqj n ASN 226 Cb 0.44 -0.88 -0.12 0.00 -1.02 0.00 0.00 39.78 38.20 2aqj n ASN 226 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 2aqj h GLN 227 N -1.00 0.22 0.00 3.52 4.20 -1.32 -0.70 115.11 120.04 2aqj h GLN 227 Ca -0.35 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.04 2aqj h GLN 227 Cb 1.21 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 2aqj h GLN 227 CO -0.21 1.03 -0.28 0.00 -0.67 0.00 0.00 178.83 178.69 2aqj h ALA 228 N 0.21 0.06 0.00 3.87 0.00 -1.25 -3.37 119.26 118.77 2aqj h ALA 228 Ca -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2aqj h ALA 228 Cb 1.18 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2aqj h ALA 228 CO 0.08 0.16 -0.28 1.28 0.00 0.00 0.00 179.25 180.49 2aqj n LEU 229 N -4.59 0.42 -1.80 0.00 4.77 0.15 -4.94 117.00 111.01 2aqj n LEU 229 Ca -0.14 0.30 -0.17 0.00 -0.03 0.00 0.00 56.01 55.97 2aqj n LEU 229 Cb 0.48 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2aqj n LEU 229 CO 0.27 -0.00 -0.21 0.29 -1.33 0.00 0.00 177.39 176.42 2aqj n LYS 230 N -1.74 -1.34 -2.07 3.23 4.76 -0.27 -4.94 118.16 115.80 2aqj n LYS 230 Ca 0.06 0.92 -0.42 0.00 -2.87 0.00 0.00 58.31 56.00 2aqj n LYS 230 Cb 0.37 -5.33 -0.03 0.00 -1.84 0.00 0.00 35.03 28.21 2aqj n LYS 230 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2aqj s GLU 231 N -4.48 4.26 0.33 1.97 2.56 -0.27 -4.93 118.70 118.14 2aqj s GLU 231 Ca 0.00 2.18 -0.29 0.00 0.00 0.00 0.00 54.97 56.86 2aqj s GLU 231 Cb 0.00 -3.41 -0.11 0.00 2.00 0.00 0.00 34.13 32.61 2aqj s GLU 231 CO 0.00 -0.59 1.57 -2.14 -0.56 0.00 0.00 175.26 173.54 2aqj s PRO 232 N 1.85 4.10 -0.16 4.30 0.02 -1.26 -4.55 135.00 139.30 2aqj s PRO 232 Ca 0.68 2.60 -0.18 0.00 0.02 0.00 0.00 61.00 64.13 2aqj s PRO 232 Cb -0.38 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 2aqj s PRO 232 CO 0.30 -0.62 0.48 0.12 -0.33 0.00 0.00 177.00 176.95 2aqj s PHE 233 N -0.45 3.44 -0.59 6.54 5.36 -1.26 -0.62 117.98 130.40 2aqj s PHE 233 Ca 0.59 0.81 -0.24 0.00 -0.96 0.00 0.00 56.93 57.13 2aqj s PHE 233 Cb -0.48 -2.59 0.05 0.00 -0.34 0.00 0.00 43.02 39.67 2aqj s PHE 233 CO 0.55 0.05 0.96 0.42 -1.46 0.00 0.00 175.22 175.73 2aqj s ILE 234 N 1.07 4.35 -0.02 3.12 1.01 0.11 -4.91 121.20 125.93 2aqj s ILE 234 Ca 0.24 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 60.66 2aqj s ILE 234 Cb -0.15 -4.60 -0.05 0.00 0.01 0.00 0.00 42.46 37.67 2aqj s ILE 234 CO 0.10 -1.25 1.43 -0.62 0.00 0.00 0.00 174.94 174.59 2aqj s ASP 235 N 3.14 6.83 -0.28 3.58 3.68 -1.26 -2.46 116.67 129.90 2aqj s ASP 235 Ca 0.28 2.10 0.09 0.00 2.13 0.00 0.00 52.55 57.14 2aqj s ASP 235 Cb -0.14 -2.55 0.50 0.00 -1.45 0.00 0.00 42.92 39.27 2aqj s ASP 235 CO 0.16 -0.76 1.44 0.23 0.13 0.00 0.00 175.17 176.37 2aqj n MET 236 N 5.75 1.83 0.00 4.34 2.81 0.67 -4.64 117.12 127.87 2aqj n MET 236 Ca 0.14 -3.19 0.05 0.00 -1.81 0.00 0.00 57.70 52.89 2aqj n MET 236 Cb 0.44 -1.79 0.25 0.00 -0.71 0.00 0.00 33.22 31.40 2aqj n MET 236 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2aqj n SER 237 N -1.11 0.00 0.17 7.83 3.41 -1.26 -0.47 113.62 122.19 2aqj n SER 237 Ca 0.31 0.36 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 2aqj n SER 237 Cb 0.99 -0.42 0.29 0.00 -0.26 0.00 0.00 64.21 64.81 2aqj n SER 237 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 2aqj h ASP 238 N 0.00 0.00 0.19 4.04 2.03 -1.96 -3.33 116.42 117.40 2aqj h ASP 238 Ca 0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 2aqj h ASP 238 Cb 0.16 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 38.62 2aqj h ASP 238 CO 0.00 0.00 -2.04 -1.22 -1.03 0.00 0.00 179.24 174.95 2aqj n TYR 239 N -2.72 0.85 -3.83 4.15 4.01 0.38 -1.26 117.16 118.74 2aqj n TYR 239 Ca 0.05 0.22 -0.13 0.00 -0.16 0.00 0.00 57.90 57.88 2aqj n TYR 239 Cb 0.48 -1.13 -0.14 0.00 -0.31 0.00 0.00 39.34 38.24 2aqj n TYR 239 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2aqj s LEU 240 N -6.52 1.58 0.03 7.72 1.43 -0.97 -4.67 118.68 117.27 2aqj s LEU 240 Ca -0.18 0.14 0.20 0.00 -1.03 0.00 0.00 54.13 53.26 2aqj s LEU 240 Cb 0.07 0.20 -0.19 0.00 0.03 0.00 0.00 46.19 46.31 2aqj s LEU 240 CO 0.76 -0.05 0.65 0.18 0.23 0.00 0.00 176.35 178.13 2aqj n LEU 241 N 3.28 0.44 -4.78 1.79 4.77 -1.26 -4.25 117.00 116.99 2aqj n LEU 241 Ca -0.15 0.18 -0.36 0.00 -0.03 0.00 0.00 56.01 55.64 2aqj n LEU 241 Cb 0.58 0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.71 2aqj n LEU 241 CO 0.23 0.06 0.77 0.00 -1.33 0.00 0.00 177.39 177.12 2aqj n ASP 243 N -0.34 0.00 -3.73 0.00 5.68 -0.32 -4.77 116.55 113.07 2aqj n ASP 243 Ca 0.06 -1.00 -0.12 0.00 -0.50 0.00 0.00 54.79 53.24 2aqj n ASP 243 Cb 0.49 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.40 2aqj n ASP 243 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2aqj s SER 244 N 0.00 -0.16 0.01 -1.12 0.01 -0.70 -1.05 113.70 110.69 2aqj s SER 244 Ca 0.00 -0.17 -0.04 0.00 1.31 0.00 0.00 55.95 57.05 2aqj s SER 244 Cb 0.00 0.38 -0.01 0.00 0.21 0.00 0.00 66.02 66.60 2aqj s SER 244 CO 0.00 -0.64 0.07 0.00 0.41 0.00 0.00 173.24 173.09 2aqj s ALA 245 N -2.61 -0.15 -0.15 1.44 0.00 -0.27 -0.95 121.76 119.06 2aqj s ALA 245 Ca -0.05 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.67 2aqj s ALA 245 Cb -0.01 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.23 2aqj s ALA 245 CO -0.04 -0.18 -0.21 0.54 0.00 0.00 0.00 175.76 175.88 2aqj s VAL 246 N -1.28 2.03 0.10 0.00 0.11 -0.49 -0.65 120.40 120.22 2aqj s VAL 246 Ca -0.14 -0.94 0.04 0.00 -2.93 0.00 0.00 61.98 58.01 2aqj s VAL 246 Cb -0.08 -1.81 -0.04 0.00 -1.53 0.00 0.00 36.38 32.92 2aqj s VAL 246 CO 0.01 0.54 -0.10 0.00 -3.33 0.00 0.00 175.10 172.21 2aqj s ALA 247 N 1.03 1.15 0.30 1.54 0.00 -0.58 -0.42 121.76 124.77 2aqj s ALA 247 Ca -0.02 -1.21 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 2aqj s ALA 247 Cb -0.14 0.02 0.04 0.00 0.00 0.00 0.00 23.12 23.04 2aqj s ALA 247 CO -0.07 -0.03 0.80 0.45 0.00 0.00 0.00 175.76 176.91 2aqj s SER 248 N -2.48 -0.13 -0.06 0.00 0.15 0.33 0.02 113.70 111.55 2aqj s SER 248 Ca 0.06 -0.80 -0.05 0.00 0.70 0.00 0.00 55.95 55.85 2aqj s SER 248 Cb -0.03 0.73 -0.04 0.00 -1.71 0.00 0.00 66.02 64.98 2aqj s SER 248 CO 0.00 -1.41 0.18 0.00 1.20 0.00 0.00 173.24 173.21 2aqj s ALA 249 N -3.08 3.90 -0.10 5.45 0.00 -1.26 -0.46 121.76 126.21 2aqj s ALA 249 Ca 0.14 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.45 2aqj s ALA 249 Cb -0.05 -1.95 0.01 0.00 0.00 0.00 0.00 23.12 21.12 2aqj s ALA 249 CO 0.08 0.67 -0.20 0.08 0.00 0.00 0.00 175.76 176.39 2aqj s VAL 250 N -1.18 1.83 0.52 0.00 1.01 0.57 -4.96 120.40 118.19 2aqj s VAL 250 Ca 0.21 -0.87 -0.23 0.00 0.00 0.00 0.00 61.98 61.10 2aqj s VAL 250 Cb -0.12 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 2aqj s VAL 250 CO 0.11 0.51 1.38 -2.84 0.00 0.00 0.00 175.10 174.27 2aqj s PRO 251 N 0.57 3.28 -0.03 2.72 0.02 -1.26 -0.57 135.00 139.73 2aqj s PRO 251 Ca -0.14 2.30 0.07 0.00 0.02 0.00 0.00 61.00 63.25 2aqj s PRO 251 Cb -0.17 -2.37 -0.02 0.00 0.02 0.00 0.00 34.50 31.97 2aqj s PRO 251 CO 0.05 -1.10 -0.25 1.21 -0.33 0.00 0.00 177.00 176.58 2aqj s ASN 252 N -0.81 2.92 -1.25 2.53 2.47 -0.59 -4.75 114.94 115.45 2aqj s ASN 252 Ca 0.69 -0.46 -0.14 0.00 0.42 0.00 0.00 52.86 53.37 2aqj s ASN 252 Cb -0.42 -0.44 0.15 0.00 -1.45 0.00 0.00 41.25 39.09 2aqj s ASN 252 CO 0.51 0.29 1.59 -0.67 -3.72 0.00 0.00 177.10 175.10 2aqj n ASP 253 N 2.59 5.10 -0.24 -4.21 -0.08 -1.26 -4.55 116.55 113.91 2aqj n ASP 253 Ca -0.16 -2.99 -0.02 0.00 -1.51 0.00 0.00 54.79 50.11 2aqj n ASP 253 Cb 0.52 -1.59 0.09 0.00 2.34 0.00 0.00 41.12 42.48 2aqj n ASP 253 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 2aqj h ASP 254 N 6.91 0.63 -0.93 1.67 3.32 -1.92 0.77 116.42 126.88 2aqj h ASP 254 Ca 0.36 0.02 0.05 0.00 0.02 0.00 0.00 57.03 57.48 2aqj h ASP 254 Cb 0.82 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.20 2aqj h ASP 254 CO 1.37 0.42 0.61 0.00 -1.72 0.00 0.00 179.24 179.92 2aqj h ALA 255 N 1.33 1.43 0.16 3.45 0.00 -1.88 0.16 119.26 123.91 2aqj h ALA 255 Ca 0.30 -0.04 -0.31 0.00 0.00 0.00 0.00 54.91 54.86 2aqj h ALA 255 Cb 0.12 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.61 2aqj h ALA 255 CO -0.15 0.46 -1.52 -0.09 0.00 0.00 0.00 179.25 177.94 2aqj h ARG 256 N 1.13 0.35 -0.01 0.00 2.43 -1.71 -3.41 114.38 113.16 2aqj h ARG 256 Ca 0.38 -0.60 0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2aqj h ARG 256 Cb 0.08 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2aqj h ARG 256 CO -0.13 1.28 -0.35 -0.25 -1.51 0.00 0.00 179.97 179.02 2aqj n ASP 257 N -3.77 1.13 -0.44 -3.80 8.00 0.26 -5.11 116.55 112.83 2aqj n ASP 257 Ca -0.23 -1.06 0.05 0.00 0.71 0.00 0.00 54.79 54.25 2aqj n ASP 257 Cb 0.99 0.63 -0.01 0.00 -0.02 0.00 0.00 41.12 42.71 2aqj n ASP 257 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2aqj n GLY 258 N 1.08 -2.05 3.02 0.44 0.00 0.54 -4.83 105.19 103.39 2aqj n GLY 258 Ca 0.04 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 2aqj n GLY 258 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aqj s VAL 259 N -1.07 1.73 0.07 1.61 1.01 -1.26 -4.47 120.40 118.02 2aqj s VAL 259 Ca 0.00 -1.00 -0.31 0.00 0.00 0.00 0.00 61.98 60.67 2aqj s VAL 259 Cb 0.00 -1.75 -0.07 0.00 0.00 0.00 0.00 36.38 34.56 2aqj s VAL 259 CO 0.00 0.24 1.41 -1.61 0.00 0.00 0.00 175.10 175.14 2aqj s GLU 260 N 1.37 4.30 -0.13 2.72 2.02 -1.26 -4.37 118.70 123.35 2aqj s GLU 260 Ca -0.00 2.05 -0.02 0.00 0.02 0.00 0.00 54.97 57.02 2aqj s GLU 260 Cb -0.16 -3.39 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 2aqj s GLU 260 CO -0.09 -0.51 2.50 -0.35 0.02 0.00 0.00 175.26 176.84 2aqj n PRO 261 N 4.58 1.61 -3.52 0.39 -0.04 -1.26 -4.62 135.00 132.15 2aqj n PRO 261 Ca 0.12 -0.90 -0.10 0.00 -0.04 0.00 0.00 63.50 62.58 2aqj n PRO 261 Cb 0.43 -1.53 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 2aqj n PRO 261 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2aqj s TYR 262 N -0.39 -0.41 0.26 0.54 -0.85 -1.25 0.26 117.35 115.51 2aqj s TYR 262 Ca 0.31 0.44 -0.27 0.00 -0.52 0.00 0.00 57.07 57.04 2aqj s TYR 262 Cb 0.18 0.50 -0.09 0.00 0.38 0.00 0.00 41.96 42.93 2aqj s TYR 262 CO -0.03 -0.53 0.89 0.99 -1.52 0.00 0.00 175.55 175.35 2aqj s THR 263 N -2.43 4.23 0.03 -3.49 2.01 -0.76 -4.51 115.64 110.71 2aqj s THR 263 Ca 0.01 1.83 0.03 0.00 0.31 0.00 0.00 61.69 63.87 2aqj s THR 263 Cb -0.01 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 2aqj s THR 263 CO -0.04 0.33 -0.00 -0.44 -0.69 0.00 0.00 174.62 173.77 2aqj s SER 264 N -1.40 5.06 -0.26 3.53 0.01 -0.36 -0.00 113.70 120.28 2aqj s SER 264 Ca 0.44 -0.07 0.02 0.00 1.31 0.00 0.00 55.95 57.65 2aqj s SER 264 Cb -0.22 -1.28 0.07 0.00 0.21 0.00 0.00 66.02 64.80 2aqj s SER 264 CO 0.27 0.25 -0.05 -0.55 0.41 0.00 0.00 173.24 173.56 2aqj s SER 265 N -1.78 4.14 -0.35 2.44 0.15 0.89 -1.15 113.70 118.03 2aqj s SER 265 Ca 0.21 -1.37 -0.09 0.00 0.70 0.00 0.00 55.95 55.41 2aqj s SER 265 Cb -0.12 -1.33 0.03 0.00 -1.71 0.00 0.00 66.02 62.90 2aqj s SER 265 CO 0.13 -0.24 0.16 -0.63 1.20 0.00 0.00 173.24 173.85 2aqj s ILE 266 N 1.26 4.20 0.24 6.45 1.01 0.34 -0.29 121.20 134.41 2aqj s ILE 266 Ca -0.04 -0.97 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 2aqj s ILE 266 Cb -0.19 -3.35 -0.10 0.00 0.01 0.00 0.00 42.46 38.84 2aqj s ILE 266 CO -0.07 -0.19 1.36 0.00 0.00 0.00 0.00 174.94 176.04 2aqj s ALA 267 N 1.48 3.56 0.09 9.38 0.00 0.24 0.04 121.76 136.56 2aqj s ALA 267 Ca 0.00 1.22 0.01 0.00 0.00 0.00 0.00 51.96 53.19 2aqj s ALA 267 Cb -0.19 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.43 2aqj s ALA 267 CO 0.05 -0.63 0.06 -1.33 0.00 0.00 0.00 175.76 173.91 2aqj n MET 268 N 2.23 1.41 -0.17 0.00 0.00 0.33 -4.87 117.12 116.04 2aqj n MET 268 Ca 0.05 -0.57 -0.10 0.00 0.00 0.00 0.00 57.70 57.08 2aqj n MET 268 Cb 0.42 0.07 0.00 0.00 0.00 0.00 0.00 33.22 33.71 2aqj n MET 268 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 2aqj h ASN 269 N 0.12 0.93 -0.52 7.83 2.35 -1.99 -3.36 115.58 120.94 2aqj h ASN 269 Ca -0.06 -0.34 -0.34 0.00 -0.55 0.00 0.00 56.30 55.01 2aqj h ASN 269 Cb 0.21 -0.25 -0.40 0.00 0.05 0.00 0.00 38.32 37.92 2aqj h ASN 269 CO 0.09 1.05 -1.01 -1.20 -1.65 0.00 0.00 177.43 174.71 2aqj n SER 270 N -4.24 2.70 0.00 5.81 7.64 -1.26 -4.52 113.62 119.75 2aqj n SER 270 Ca 0.01 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.25 2aqj n SER 270 Cb 0.36 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 2aqj n SER 270 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2aqj n GLY 271 N -0.62 -0.27 3.33 0.23 0.00 -1.26 -1.90 105.19 104.70 2aqj n GLY 271 Ca 0.20 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 2aqj n GLY 271 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2aqj s TRP 272 N -4.00 -0.28 -0.17 1.61 1.48 0.02 -0.51 118.94 117.09 2aqj s TRP 272 Ca 0.00 0.21 -0.02 0.00 -1.06 0.00 0.00 56.10 55.23 2aqj s TRP 272 Cb 0.00 0.24 -0.02 0.00 -1.16 0.00 0.00 33.47 32.53 2aqj s TRP 272 CO 0.00 -0.60 -0.08 0.99 -4.06 0.00 0.00 176.95 173.21 2aqj s THR 273 N -2.63 3.38 0.41 0.66 2.01 0.11 -0.03 115.64 119.55 2aqj s THR 273 Ca -0.04 -0.52 -0.16 0.00 0.31 0.00 0.00 61.69 61.27 2aqj s THR 273 Cb -0.00 -2.48 -0.09 0.00 0.01 0.00 0.00 72.50 69.94 2aqj s THR 273 CO -0.03 0.48 0.86 -1.66 -0.69 0.00 0.00 174.62 173.58 2aqj s TRP 274 N 0.75 3.38 -0.06 4.92 -2.14 0.70 -0.50 118.94 125.99 2aqj s TRP 274 Ca -0.03 1.36 0.01 0.00 2.66 0.00 0.00 56.10 60.10 2aqj s TRP 274 Cb -0.15 -2.67 0.02 0.00 -3.10 0.00 0.00 33.47 27.57 2aqj s TRP 274 CO 0.02 -0.10 -0.05 0.21 -2.66 0.00 0.00 176.95 174.37 2aqj s LYS 275 N -3.41 0.95 -0.45 3.25 2.20 -0.30 -2.56 119.74 119.42 2aqj s LYS 275 Ca 0.57 -0.12 0.02 0.00 -0.36 0.00 0.00 55.97 56.08 2aqj s LYS 275 Cb -0.10 -0.98 0.14 0.00 -1.51 0.00 0.00 37.83 35.38 2aqj s LYS 275 CO 0.21 -0.12 0.26 0.42 -0.36 0.00 0.00 175.35 175.76 2aqj s ILE 276 N 1.11 1.33 0.27 5.43 1.01 0.89 -1.22 121.20 130.02 2aqj s ILE 276 Ca -0.08 -2.60 -0.29 0.00 0.00 0.00 0.00 60.65 57.68 2aqj s ILE 276 Cb -0.14 -1.93 -0.09 0.00 0.01 0.00 0.00 42.46 40.30 2aqj s ILE 276 CO -0.01 -0.93 1.24 -2.84 0.00 0.00 0.00 174.94 172.40 2aqj s PRO 277 N 0.29 4.46 0.28 2.79 0.02 -1.26 -1.13 135.00 140.44 2aqj s PRO 277 Ca 0.19 2.02 0.05 0.00 0.02 0.00 0.00 61.00 63.28 2aqj s PRO 277 Cb -0.21 -3.15 -0.02 0.00 0.02 0.00 0.00 34.50 31.13 2aqj s PRO 277 CO -0.02 -0.08 0.17 0.00 -0.33 0.00 0.00 177.00 176.74 2aqj n MET 278 N 1.57 0.46 -1.68 5.54 0.00 -0.35 -4.78 117.12 117.88 2aqj n MET 278 Ca 0.02 -2.59 -0.45 0.00 0.00 0.00 0.00 57.70 54.68 2aqj n MET 278 Cb 0.43 1.81 -0.04 0.00 0.00 0.00 0.00 33.22 35.42 2aqj n MET 278 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2aqj n LEU 279 N 0.00 3.56 0.00 3.17 4.77 -1.26 -3.07 117.00 124.17 2aqj n LEU 279 Ca 0.01 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 2aqj n LEU 279 Cb 0.47 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 2aqj n LEU 279 CO 0.24 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2aqj n GLY 280 N 3.97 2.90 3.62 -0.72 0.00 -1.26 -4.95 105.19 108.76 2aqj n GLY 280 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 2aqj n GLY 280 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2aqj s ARG 281 N -0.37 0.80 -0.02 1.61 3.03 -1.17 -1.54 118.95 121.28 2aqj s ARG 281 Ca 0.00 -0.38 0.05 0.00 2.03 0.00 0.00 55.73 57.43 2aqj s ARG 281 Cb 0.00 0.31 -0.01 0.00 -1.03 0.00 0.00 34.95 34.22 2aqj s ARG 281 CO 0.00 -0.36 -0.17 -0.59 -1.13 0.00 0.00 175.30 173.05 2aqj s PHE 282 N -2.96 1.58 0.26 5.89 -0.12 0.27 -1.22 117.98 121.68 2aqj s PHE 282 Ca 0.10 -0.33 -0.30 0.00 -0.05 0.00 0.00 56.93 56.35 2aqj s PHE 282 Cb -0.00 -1.03 -0.09 0.00 -0.63 0.00 0.00 43.02 41.27 2aqj s PHE 282 CO -0.04 -0.06 1.14 0.20 -0.05 0.00 0.00 175.22 176.41 2aqj s GLY 283 N -0.31 2.97 0.01 1.99 0.00 -0.29 -0.32 107.32 111.38 2aqj s GLY 283 Ca 0.04 0.93 -0.05 0.00 0.00 0.00 0.00 44.72 45.65 2aqj s GLY 283 CO -0.00 1.62 0.08 -0.45 0.00 0.00 0.00 173.10 174.35 2aqj s SER 284 N -0.59 0.10 -0.23 1.64 0.15 0.39 -0.08 113.70 115.08 2aqj s SER 284 Ca 0.47 -0.31 -0.17 0.00 0.70 0.00 0.00 55.95 56.64 2aqj s SER 284 Cb -0.33 0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.22 2aqj s SER 284 CO 0.41 -0.35 0.59 -0.83 1.20 0.00 0.00 173.24 174.25 2aqj s GLY 285 N -1.43 -0.49 -0.46 9.45 0.00 -1.06 -0.51 107.32 112.82 2aqj s GLY 285 Ca -0.15 1.91 -0.20 0.00 0.00 0.00 0.00 44.72 46.28 2aqj s GLY 285 CO 0.01 1.83 0.62 -0.47 0.00 0.00 0.00 173.10 175.08 2aqj s TYR 286 N 0.99 3.06 -0.20 1.90 5.04 0.44 -0.21 117.35 128.38 2aqj s TYR 286 Ca -0.05 -0.26 -0.25 0.00 -2.44 0.00 0.00 57.07 54.07 2aqj s TYR 286 Cb -0.05 -3.37 -0.01 0.00 0.35 0.00 0.00 41.96 38.88 2aqj s TYR 286 CO -0.09 -0.92 0.82 0.08 -1.34 0.00 0.00 175.55 174.10 2aqj s VAL 287 N 2.70 4.87 0.17 3.14 1.01 0.96 -1.39 120.40 131.86 2aqj s VAL 287 Ca 0.19 1.57 -0.02 0.00 0.00 0.00 0.00 61.98 63.72 2aqj s VAL 287 Cb -0.16 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2aqj s VAL 287 CO 0.16 -0.01 0.12 0.72 0.00 0.00 0.00 175.10 176.09 2aqj s PHE 288 N 2.42 0.92 -0.29 5.22 -0.12 -0.12 -0.80 117.98 125.20 2aqj s PHE 288 Ca 0.36 -1.23 -0.08 0.00 -0.05 0.00 0.00 56.93 55.93 2aqj s PHE 288 Cb -0.16 -0.45 -0.01 0.00 -0.63 0.00 0.00 43.02 41.78 2aqj s PHE 288 CO 0.10 -0.60 0.10 0.45 -0.05 0.00 0.00 175.22 175.22 2aqj s SER 289 N -3.08 5.26 0.51 1.98 0.15 -0.80 -1.17 113.70 116.55 2aqj s SER 289 Ca 0.29 -0.50 0.34 0.00 0.70 0.00 0.00 55.95 56.78 2aqj s SER 289 Cb 0.07 -1.93 1.81 0.00 -1.71 0.00 0.00 66.02 64.25 2aqj s SER 289 CO 0.06 -0.15 2.05 0.77 1.20 0.00 0.00 173.24 177.17 2aqj h SER 290 N 8.27 0.00 0.95 5.45 4.64 -1.83 -0.82 113.55 130.21 2aqj h SER 290 Ca -0.34 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.96 2aqj h SER 290 Cb 1.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2aqj h SER 290 CO 0.60 0.00 -0.09 0.45 -0.87 0.00 0.00 176.83 176.92 2aqj h HIS 291 N 0.00 0.00 0.00 4.77 3.86 -1.93 -3.32 115.15 118.53 2aqj h HIS 291 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2aqj h HIS 291 Cb 0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.54 2aqj h HIS 291 CO 0.00 0.09 -1.19 1.19 0.86 0.00 0.00 177.93 178.88 2aqj n PHE 292 N -3.24 0.00 -3.77 2.45 3.72 -0.39 -5.03 117.46 111.21 2aqj n PHE 292 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 2aqj n PHE 292 Cb 0.35 -0.12 -0.08 0.00 -0.94 0.00 0.00 39.48 38.69 2aqj n PHE 292 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2aqj s THR 293 N -2.33 0.07 0.35 4.37 -1.32 -0.76 -4.97 115.64 111.06 2aqj s THR 293 Ca -0.02 -0.58 -0.11 0.00 -1.21 0.00 0.00 61.69 59.77 2aqj s THR 293 Cb 0.03 -0.73 -0.07 0.00 -1.51 0.00 0.00 72.50 70.22 2aqj s THR 293 CO 0.22 -0.32 0.71 -0.94 -2.21 0.00 0.00 174.62 172.09 2aqj s SER 294 N -1.63 6.58 0.24 8.08 1.04 -1.26 -4.03 113.70 122.72 2aqj s SER 294 Ca -0.10 1.09 -0.04 0.00 0.48 0.00 0.00 55.95 57.38 2aqj s SER 294 Cb -0.04 -2.30 0.46 0.00 0.10 0.00 0.00 66.02 64.24 2aqj s SER 294 CO 0.01 -0.30 1.74 -0.09 0.98 0.00 0.00 173.24 175.58 2aqj h ARG 295 N 1.66 0.46 0.13 4.02 2.43 -1.96 0.26 114.38 121.37 2aqj h ARG 295 Ca -0.47 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 2aqj h ARG 295 Cb 1.18 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2aqj h ARG 295 CO 0.65 0.30 -0.06 0.22 -1.51 0.00 0.00 179.97 179.57 2aqj h ASP 296 N 0.47 -0.15 -0.10 -3.80 3.58 -1.99 0.23 116.42 114.66 2aqj h ASP 296 Ca 0.41 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.90 2aqj h ASP 296 Cb 0.61 0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 2aqj h ASP 296 CO -0.39 -0.11 -0.10 -0.61 -2.88 0.00 0.00 179.24 175.15 2aqj h GLN 297 N -0.18 -0.13 -0.68 0.28 4.15 -1.82 -1.44 115.11 115.28 2aqj h GLN 297 Ca -0.02 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.46 2aqj h GLN 297 Cb 0.14 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.82 2aqj h GLN 297 CO 0.03 -0.09 0.45 0.00 -1.93 0.00 0.00 178.83 177.29 2aqj h ALA 298 N 0.93 1.69 -0.54 3.38 0.00 -0.34 -0.84 119.26 123.53 2aqj h ALA 298 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 2aqj h ALA 298 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2aqj h ALA 298 CO -0.18 0.22 0.01 1.15 0.00 0.00 0.00 179.25 180.45 2aqj h THR 299 N 0.75 1.26 -0.52 0.00 2.02 -0.21 0.08 112.91 116.30 2aqj h THR 299 Ca 0.28 -1.10 0.07 0.00 0.77 0.00 0.00 66.41 66.44 2aqj h THR 299 Cb 0.18 0.89 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 2aqj h THR 299 CO -0.09 0.39 0.18 0.00 0.37 0.00 0.00 175.52 176.38 2aqj h ALA 300 N 0.96 0.63 -0.46 6.16 0.00 -0.10 -0.79 119.26 125.67 2aqj h ALA 300 Ca 0.16 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 2aqj h ALA 300 Cb 0.52 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2aqj h ALA 300 CO 0.03 -0.21 0.11 -0.44 0.00 0.00 0.00 179.25 178.73 2aqj h ASP 301 N 0.36 0.70 -0.19 0.00 5.19 -0.91 0.29 116.42 121.86 2aqj h ASP 301 Ca 0.25 -0.23 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 2aqj h ASP 301 Cb 0.27 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.59 2aqj h ASP 301 CO -0.25 0.75 0.06 0.15 -3.12 0.00 0.00 179.24 176.83 2aqj h PHE 302 N 0.61 0.31 -0.80 4.55 3.57 -0.76 0.20 116.94 124.62 2aqj h PHE 302 Ca 0.14 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2aqj h PHE 302 Cb 0.33 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 2aqj h PHE 302 CO 0.02 0.39 0.44 -0.07 -2.23 0.00 0.00 178.31 176.86 2aqj h LEU 303 N 0.14 1.00 -0.44 0.59 3.38 -0.90 -2.56 115.31 116.52 2aqj h LEU 303 Ca 0.06 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2aqj h LEU 303 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2aqj h LEU 303 CO -0.00 0.80 -0.13 0.50 0.09 0.00 0.00 178.44 179.70 2aqj h LYS 304 N 1.12 0.86 -0.63 1.13 3.64 -0.11 0.29 116.57 122.88 2aqj h LYS 304 Ca 0.28 -0.34 0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2aqj h LYS 304 Cb 0.02 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 2aqj h LYS 304 CO -0.05 0.98 0.27 1.25 -2.27 0.00 0.00 179.45 179.64 2aqj h LEU 305 N 0.69 0.32 -2.80 5.20 5.85 -0.22 -2.43 115.31 121.91 2aqj h LEU 305 Ca 0.11 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2aqj h LEU 305 Cb 0.68 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.73 2aqj h LEU 305 CO 0.05 0.19 0.00 0.79 -0.34 0.00 0.00 178.44 179.13 2aqj n TRP 306 N -4.94 0.90 -3.65 1.25 7.02 -1.04 -4.96 117.44 112.02 2aqj n TRP 306 Ca 0.09 -0.51 -0.24 0.00 -1.02 0.00 0.00 57.50 55.83 2aqj n TRP 306 Cb 0.26 -0.02 0.06 0.00 -2.42 0.00 0.00 31.31 29.19 2aqj n TRP 306 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2aqj n GLY 307 N 1.37 -0.46 3.96 6.99 0.00 -0.09 -4.99 105.19 111.97 2aqj n GLY 307 Ca 0.22 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 2aqj n GLY 307 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqj s LEU 308 N -7.01 4.25 0.27 0.99 1.43 0.83 -5.02 118.68 114.41 2aqj s LEU 308 Ca 0.40 0.19 -0.02 0.00 -1.03 0.00 0.00 54.13 53.67 2aqj s LEU 308 Cb -0.18 -2.99 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 2aqj s LEU 308 CO 0.76 -0.10 0.48 -0.94 0.23 0.00 0.00 176.35 176.79 2aqj s SER 309 N -3.84 6.38 0.00 2.29 1.04 -1.26 -4.71 113.70 113.60 2aqj s SER 309 Ca 0.36 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.29 2aqj s SER 309 Cb -0.10 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 63.97 2aqj s SER 309 CO 0.30 -0.16 0.68 0.47 0.98 0.00 0.00 173.24 175.52 2aqj n ASP 310 N -1.05 0.00 -0.11 7.02 10.43 -1.26 -0.85 116.55 130.73 2aqj n ASP 310 Ca -0.04 0.22 0.11 0.00 2.57 0.00 0.00 54.79 57.65 2aqj n ASP 310 Cb 0.54 -0.22 -0.02 0.00 1.84 0.00 0.00 41.12 43.26 2aqj n ASP 310 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2aqj n ASN 311 N -1.18 1.14 -4.64 -2.24 4.13 -1.26 -4.93 115.26 106.27 2aqj n ASN 311 Ca 0.00 -1.00 -0.43 0.00 1.68 0.00 0.00 54.58 54.84 2aqj n ASN 311 Cb 0.04 0.76 -0.02 0.00 -1.54 0.00 0.00 39.78 39.01 2aqj n ASN 311 CO 0.00 0.00 0.00 -1.58 0.28 0.00 0.00 177.26 175.96 2aqj s GLN 312 N -2.87 3.95 0.39 3.52 0.74 -0.03 -4.98 119.66 120.37 2aqj s GLN 312 Ca 0.11 1.65 -0.25 0.00 0.05 0.00 0.00 55.36 56.91 2aqj s GLN 312 Cb 0.17 -3.95 -0.09 0.00 1.10 0.00 0.00 33.01 30.24 2aqj s GLN 312 CO 0.77 -1.10 1.13 -2.14 -0.55 0.00 0.00 175.29 173.41 2aqj s PRO 313 N 4.28 4.14 0.00 1.67 0.02 -1.26 -4.99 135.00 138.87 2aqj s PRO 313 Ca 0.66 1.75 0.03 0.00 0.02 0.00 0.00 61.00 63.46 2aqj s PRO 313 Cb -0.24 -2.70 -0.01 0.00 0.02 0.00 0.00 34.50 31.58 2aqj s PRO 313 CO 0.25 -0.22 -0.10 -0.51 -0.33 0.00 0.00 177.00 176.10 2aqj s LEU 314 N -2.42 2.06 -0.84 -5.54 1.43 -1.26 -4.85 118.68 107.26 2aqj s LEU 314 Ca 0.56 -0.24 -0.21 0.00 -1.03 0.00 0.00 54.13 53.22 2aqj s LEU 314 Cb -0.29 -0.46 0.10 0.00 0.03 0.00 0.00 46.19 45.58 2aqj s LEU 314 CO 0.36 0.07 1.10 0.21 0.23 0.00 0.00 176.35 178.32 2aqj s ASN 315 N -0.46 6.45 -0.26 2.29 3.84 0.10 -4.93 114.94 121.98 2aqj s ASN 315 Ca 0.02 -1.60 -0.28 0.00 0.21 0.00 0.00 52.86 51.22 2aqj s ASN 315 Cb -0.05 -2.42 0.01 0.00 -0.55 0.00 0.00 41.25 38.24 2aqj s ASN 315 CO -0.00 -1.25 0.99 -1.10 -2.79 0.00 0.00 177.10 172.95 2aqj s GLN 316 N 3.42 4.17 0.06 0.43 -1.52 -1.26 -1.53 119.66 123.44 2aqj s GLN 316 Ca 0.30 1.15 0.08 0.00 -1.95 0.00 0.00 55.36 54.94 2aqj s GLN 316 Cb -0.09 -3.67 -0.03 0.00 -0.22 0.00 0.00 33.01 29.00 2aqj s GLN 316 CO -0.02 -0.68 -0.22 0.42 -0.25 0.00 0.00 175.29 174.54 2aqj s ILE 317 N 3.23 1.76 0.18 1.08 1.01 0.17 -5.02 121.20 123.62 2aqj s ILE 317 Ca 0.42 -1.31 0.08 0.00 0.00 0.00 0.00 60.65 59.84 2aqj s ILE 317 Cb -0.14 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 2aqj s ILE 317 CO 0.09 0.17 -0.17 -1.59 0.00 0.00 0.00 174.94 173.44 2aqj s LYS 318 N -1.36 1.30 0.06 2.79 -2.85 -1.26 -1.12 119.74 117.31 2aqj s LYS 318 Ca 0.08 -1.46 -0.16 0.00 -1.00 0.00 0.00 55.97 53.43 2aqj s LYS 318 Cb -0.09 -1.29 0.03 0.00 -2.06 0.00 0.00 37.83 34.42 2aqj s LYS 318 CO 0.02 0.25 0.36 -0.59 0.10 0.00 0.00 175.35 175.50 2aqj s PHE 319 N -2.27 -0.18 -0.14 1.78 -0.12 -0.22 -4.93 117.98 111.90 2aqj s PHE 319 Ca 0.18 0.02 -0.04 0.00 -0.05 0.00 0.00 56.93 57.04 2aqj s PHE 319 Cb -0.05 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.49 2aqj s PHE 319 CO 0.07 -0.58 0.01 0.50 -0.05 0.00 0.00 175.22 175.17 2aqj s ARG 320 N -2.88 3.53 -0.05 1.99 3.52 -1.26 -4.66 118.95 119.13 2aqj s ARG 320 Ca -0.03 -0.42 -0.17 0.00 -0.13 0.00 0.00 55.73 54.98 2aqj s ARG 320 Cb 0.00 -2.97 -0.05 0.00 -1.56 0.00 0.00 34.95 30.37 2aqj s ARG 320 CO -0.05 0.42 0.47 0.08 -0.81 0.00 0.00 175.30 175.41 2aqj s VAL 321 N -0.09 5.07 -5.00 7.11 1.01 -1.26 -4.47 120.40 122.76 2aqj s VAL 321 Ca 0.04 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.98 2aqj s VAL 321 Cb -0.13 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.46 2aqj s VAL 321 CO 0.02 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2aqj n GLY 322 N 2.58 0.70 3.36 4.51 0.00 -0.77 -0.24 105.19 115.33 2aqj n GLY 322 Ca -0.10 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 2aqj n GLY 322 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2aqj s ARG 323 N -2.00 1.07 0.67 1.61 1.70 -1.03 -0.69 118.95 120.28 2aqj s ARG 323 Ca 0.00 -0.48 -0.17 0.00 -0.47 0.00 0.00 55.73 54.61 2aqj s ARG 323 Cb 0.00 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 2aqj s ARG 323 CO 0.00 -0.41 1.28 -0.80 -1.08 0.00 0.00 175.30 174.29 2aqj s ASN 324 N -2.43 4.46 0.26 -2.89 0.01 -0.45 0.04 114.94 113.94 2aqj s ASN 324 Ca -0.01 2.59 -0.03 0.00 -0.71 0.00 0.00 52.86 54.70 2aqj s ASN 324 Cb 0.00 -2.61 0.40 0.00 0.41 0.00 0.00 41.25 39.45 2aqj s ASN 324 CO -0.08 -2.10 1.87 0.50 -1.51 0.00 0.00 177.10 175.78 2aqj h LYS 325 N 0.34 1.06 -4.15 -0.60 3.64 -1.20 -3.42 116.57 112.25 2aqj h LYS 325 Ca -0.50 -0.06 -0.35 0.00 -1.27 0.00 0.00 60.65 58.46 2aqj h LYS 325 Cb 1.33 -0.24 -0.31 0.00 -0.41 0.00 0.00 32.23 32.61 2aqj h LYS 325 CO 0.52 0.70 -0.76 1.03 -2.27 0.00 0.00 179.45 178.67 2aqj s ARG 326 N -6.04 0.50 0.10 1.90 0.52 -1.26 -5.03 118.95 109.64 2aqj s ARG 326 Ca -0.12 -0.13 0.02 0.00 -0.52 0.00 0.00 55.73 54.98 2aqj s ARG 326 Cb 0.20 -0.53 -0.24 0.00 0.52 0.00 0.00 34.95 34.90 2aqj s ARG 326 CO 0.81 0.03 1.22 0.00 0.02 0.00 0.00 175.30 177.37 2aqj h ALA 327 N 6.50 0.24 -3.13 2.13 0.00 -1.87 -3.43 119.26 119.70 2aqj h ALA 327 Ca -0.33 -0.90 -0.65 0.00 0.00 0.00 0.00 54.91 53.03 2aqj h ALA 327 Cb 1.17 -0.09 -0.35 0.00 0.00 0.00 0.00 17.79 18.52 2aqj h ALA 327 CO 0.49 1.13 -0.85 -0.46 0.00 0.00 0.00 179.25 179.57 2aqj s TRP 328 N -2.69 2.66 -0.06 0.00 -0.11 -1.26 -0.50 118.94 116.98 2aqj s TRP 328 Ca -0.01 -1.59 0.03 0.00 1.22 0.00 0.00 56.10 55.75 2aqj s TRP 328 Cb 0.09 -1.84 0.01 0.00 -1.50 0.00 0.00 33.47 30.22 2aqj s TRP 328 CO 0.85 -0.78 -0.15 0.08 -4.62 0.00 0.00 176.95 172.32 2aqj s VAL 329 N 1.33 1.36 0.00 5.86 1.01 0.17 -4.91 120.40 125.21 2aqj s VAL 329 Ca 0.04 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2aqj s VAL 329 Cb -0.13 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.05 2aqj s VAL 329 CO -0.12 0.40 0.00 0.59 0.00 0.00 0.00 175.10 175.97 2aqj n ASN 330 N 3.53 0.00 -1.72 3.32 3.02 -1.26 -0.92 115.26 121.23 2aqj n ASN 330 Ca -0.21 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.25 2aqj n ASN 330 Cb 0.52 0.00 0.23 0.00 -0.61 0.00 0.00 39.78 39.93 2aqj n ASN 330 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2aqj n ASN 331 N 5.30 3.76 -3.99 6.41 6.94 -1.26 -4.91 115.26 127.51 2aqj n ASN 331 Ca 0.00 -3.47 -0.26 0.00 -0.02 0.00 0.00 54.58 50.83 2aqj n ASN 331 Cb 0.00 -0.72 -0.17 0.00 -2.36 0.00 0.00 39.78 36.53 2aqj n ASN 331 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2aqj s VAL 333 N 1.15 3.42 0.07 0.00 1.01 -0.38 -0.66 120.40 125.02 2aqj s VAL 333 Ca -0.05 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 2aqj s VAL 333 Cb -0.14 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.63 2aqj s VAL 333 CO -0.02 0.43 0.68 -0.94 0.00 0.00 0.00 175.10 175.25 2aqj s SER 334 N 1.31 7.17 -0.02 3.32 1.04 0.35 -0.68 113.70 126.19 2aqj s SER 334 Ca 0.04 1.39 0.00 0.00 0.48 0.00 0.00 55.95 57.86 2aqj s SER 334 Cb -0.14 -2.43 0.03 0.00 0.10 0.00 0.00 66.02 63.58 2aqj s SER 334 CO -0.02 0.15 0.02 -0.63 0.98 0.00 0.00 173.24 173.74 2aqj s ILE 335 N -0.63 0.01 0.00 -1.02 -1.09 -0.67 -4.72 121.20 113.08 2aqj s ILE 335 Ca 0.34 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.92 2aqj s ILE 335 Cb -0.20 -0.13 0.00 0.00 -1.58 0.00 0.00 42.46 40.55 2aqj s ILE 335 CO 0.22 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 2aqj n GLY 336 N 4.09 0.12 0.30 6.18 0.00 -1.26 -4.30 105.19 110.32 2aqj n GLY 336 Ca -0.27 -1.55 0.19 0.00 0.00 0.00 0.00 46.02 44.39 2aqj n GLY 336 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2aqj h LEU 337 N 0.00 0.00 -1.18 0.99 3.38 -1.85 -0.99 115.31 115.66 2aqj h LEU 337 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2aqj h LEU 337 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2aqj h LEU 337 CO 0.00 0.03 0.00 0.77 0.09 0.00 0.00 178.44 179.33 2aqj h SER 338 N 0.00 0.00 0.00 -0.43 4.64 -1.63 -3.31 113.55 112.83 2aqj h SER 338 Ca -0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 2aqj h SER 338 Cb 0.27 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.29 2aqj h SER 338 CO 0.00 0.00 -2.46 -0.24 -0.87 0.00 0.00 176.83 173.26 2aqj n SER 339 N -2.65 1.98 -3.69 4.97 2.88 -0.39 -4.72 113.62 111.99 2aqj n SER 339 Ca 0.01 0.01 -0.03 0.00 -1.33 0.00 0.00 58.87 57.53 2aqj n SER 339 Cb 0.25 -0.55 -0.01 0.00 -0.75 0.00 0.00 64.21 63.15 2aqj n SER 339 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2aqj s PHE 341 N -3.05 -0.42 -0.02 0.00 5.36 0.14 -4.28 117.98 115.71 2aqj s PHE 341 Ca 0.12 0.97 0.03 0.00 -0.96 0.00 0.00 56.93 57.09 2aqj s PHE 341 Cb 0.00 0.15 -0.00 0.00 -0.34 0.00 0.00 43.02 42.82 2aqj s PHE 341 CO -0.01 -0.22 -0.11 -1.17 -1.46 0.00 0.00 175.22 172.25 2aqj s LEU 342 N 0.61 1.90 0.59 6.12 2.96 -1.26 -1.85 118.68 127.75 2aqj s LEU 342 Ca -0.04 -0.21 -0.18 0.00 -0.22 0.00 0.00 54.13 53.48 2aqj s LEU 342 Cb -0.05 -0.61 -0.06 0.00 0.50 0.00 0.00 46.19 45.97 2aqj s LEU 342 CO -0.04 0.11 0.78 -1.84 -1.32 0.00 0.00 176.35 174.04 2aqj n GLU 343 N 3.07 0.73 -0.16 1.98 0.28 -1.26 -4.79 120.64 120.48 2aqj n GLU 343 Ca -0.16 0.29 0.00 0.00 -0.16 0.00 0.00 57.16 57.12 2aqj n GLU 343 Cb 0.55 -1.97 0.00 0.00 1.43 0.00 0.00 31.44 31.45 2aqj n GLU 343 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2aqj n PRO 344 N -0.62 0.88 0.23 3.44 -0.04 -1.26 -4.39 135.00 133.24 2aqj n PRO 344 Ca 0.13 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 2aqj n PRO 344 Cb 0.47 -1.06 0.53 0.00 -0.04 0.00 0.00 33.50 33.40 2aqj n PRO 344 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2aqj h LEU 345 N 1.85 0.00 -2.87 1.53 5.85 -2.00 -3.06 115.31 116.62 2aqj h LEU 345 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2aqj h LEU 345 Cb 0.88 0.00 -0.19 0.00 0.37 0.00 0.00 40.66 41.72 2aqj h LEU 345 CO 0.00 0.22 -0.72 -0.62 -0.34 0.00 0.00 178.44 176.97 2aqj n GLU 346 N -4.04 0.57 -3.60 1.25 -0.58 -1.26 -5.03 120.64 107.96 2aqj n GLU 346 Ca -0.02 -2.30 -0.22 0.00 -0.42 0.00 0.00 57.16 54.20 2aqj n GLU 346 Cb 0.29 -0.67 0.04 0.00 -0.57 0.00 0.00 31.44 30.54 2aqj n GLU 346 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2aqj n SER 347 N -0.20 -3.05 -0.34 1.62 7.64 -1.16 -4.90 113.62 113.23 2aqj n SER 347 Ca 0.10 -0.83 0.07 0.00 1.01 0.00 0.00 58.87 59.22 2aqj n SER 347 Cb 0.91 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.93 2aqj n SER 347 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2aqj n THR 348 N -4.06 0.00 0.06 0.44 -2.24 -1.26 -4.59 114.28 102.63 2aqj n THR 348 Ca -0.22 -0.36 -0.13 0.00 -2.27 0.00 0.00 64.05 61.07 2aqj n THR 348 Cb 0.65 1.18 -0.08 0.00 -2.10 0.00 0.00 70.33 69.97 2aqj n THR 348 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2aqj h GLY 349 N 3.06 -0.13 1.53 3.38 0.00 -1.90 -0.04 103.07 108.97 2aqj h GLY 349 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 2aqj h GLY 349 CO 0.00 -0.05 -0.59 -2.22 0.00 0.00 0.00 176.54 173.68 2aqj h ILE 350 N -0.39 1.34 -0.67 2.60 2.04 -1.89 -2.62 117.51 117.92 2aqj h ILE 350 Ca -0.01 -1.88 0.14 0.00 1.00 0.00 0.00 64.86 64.11 2aqj h ILE 350 Cb 0.33 1.86 -0.12 0.00 -0.74 0.00 0.00 36.82 38.15 2aqj h ILE 350 CO 0.02 0.58 -0.05 0.22 0.00 0.00 0.00 178.15 178.92 2aqj h TYR 351 N 0.37 -0.15 -0.06 1.37 3.20 -1.80 -0.81 116.97 119.09 2aqj h TYR 351 Ca -0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2aqj h TYR 351 Cb 1.13 0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.57 2aqj h TYR 351 CO 0.04 -0.23 0.04 0.74 -1.64 0.00 0.00 178.16 177.11 2aqj h PHE 352 N 0.07 0.07 0.46 -3.82 0.04 -0.61 0.25 116.94 113.41 2aqj h PHE 352 Ca 0.35 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.10 2aqj h PHE 352 Cb 0.57 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.70 2aqj h PHE 352 CO -0.44 0.05 -0.22 0.82 -0.60 0.00 0.00 178.31 177.92 2aqj h ILE 353 N 0.08 0.22 0.00 -0.55 2.04 -1.10 -2.12 117.51 116.07 2aqj h ILE 353 Ca 0.02 -0.57 -0.11 0.00 1.00 0.00 0.00 64.86 65.21 2aqj h ILE 353 Cb -0.00 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 2aqj h ILE 353 CO -0.00 0.05 -0.50 0.10 0.00 0.00 0.00 178.15 177.79 2aqj h TYR 354 N -1.08 0.00 -0.58 1.37 -0.00 -1.21 -1.46 116.97 114.00 2aqj h TYR 354 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.58 2aqj h TYR 354 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.25 2aqj h TYR 354 CO 0.01 0.50 0.00 0.00 -0.00 0.00 0.00 178.16 178.68 2aqj h ALA 355 N 1.50 0.90 -0.50 0.10 0.00 -0.62 -0.55 119.26 120.09 2aqj h ALA 355 Ca -0.01 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2aqj h ALA 355 Cb 1.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2aqj h ALA 355 CO 0.07 0.65 -0.16 0.00 0.00 0.00 0.00 179.25 179.81 2aqj h ALA 356 N 1.06 0.78 -0.38 0.00 0.00 -1.06 -1.54 119.26 118.12 2aqj h ALA 356 Ca 0.17 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2aqj h ALA 356 Cb 0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2aqj h ALA 356 CO 0.03 0.66 0.09 -0.07 0.00 0.00 0.00 179.25 179.96 2aqj h LEU 357 N 0.85 0.58 -0.50 0.00 3.38 -1.13 0.38 115.31 118.87 2aqj h LEU 357 Ca 0.12 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.95 2aqj h LEU 357 Cb 0.72 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2aqj h LEU 357 CO 0.06 0.66 0.08 0.22 0.09 0.00 0.00 178.44 179.55 2aqj h TYR 358 N 0.47 0.12 -0.24 1.13 3.20 -0.96 -1.62 116.97 119.07 2aqj h TYR 358 Ca 0.12 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.91 2aqj h TYR 358 Cb 0.31 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 2aqj h TYR 358 CO 0.02 -0.03 -0.33 1.96 -1.64 0.00 0.00 178.16 178.14 2aqj h GLN 359 N 0.21 0.52 -0.36 1.82 1.08 -0.78 -0.96 115.11 116.63 2aqj h GLN 359 Ca 0.25 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2aqj h GLN 359 Cb 0.35 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 2aqj h GLN 359 CO -0.35 0.78 0.23 1.25 -0.95 0.00 0.00 178.83 179.79 2aqj h LEU 360 N 0.44 0.39 -0.93 1.46 5.85 0.26 -0.91 115.31 121.87 2aqj h LEU 360 Ca 0.05 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 2aqj h LEU 360 Cb 0.79 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2aqj h LEU 360 CO 0.06 0.28 -0.12 0.58 -0.34 0.00 0.00 178.44 178.91 2aqj h VAL 361 N 0.47 1.25 0.00 1.05 2.07 -1.05 -0.79 116.25 119.25 2aqj h VAL 361 Ca 0.14 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2aqj h VAL 361 Cb -0.03 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2aqj h VAL 361 CO -0.04 0.37 -0.05 0.11 0.02 0.00 0.00 177.57 177.98 2aqj h LYS 362 N 0.60 0.00 0.00 1.57 1.79 -0.60 -2.88 116.57 117.04 2aqj h LYS 362 Ca 0.11 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.56 2aqj h LYS 362 Cb 0.55 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.16 2aqj h LYS 362 CO 0.03 0.05 -0.54 0.72 -1.08 0.00 0.00 179.45 178.63 2aqj n HIS 363 N -3.32 0.00 -2.00 -1.35 8.25 -0.40 -5.08 115.22 111.33 2aqj n HIS 363 Ca -0.01 -1.41 -0.42 0.00 -0.26 0.00 0.00 57.72 55.62 2aqj n HIS 363 Cb 0.21 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.05 2aqj n HIS 363 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2aqj s PHE 364 N -2.95 3.04 0.64 4.41 5.36 -0.38 -4.77 117.98 123.33 2aqj s PHE 364 Ca 0.38 0.91 -0.05 0.00 -0.96 0.00 0.00 56.93 57.21 2aqj s PHE 364 Cb 0.37 -3.84 0.04 0.00 -0.34 0.00 0.00 43.02 39.25 2aqj s PHE 364 CO -0.08 -2.86 0.93 -1.25 -1.46 0.00 0.00 175.22 170.50 2aqj s PRO 365 N 0.14 2.45 0.28 10.12 0.04 -1.26 -5.08 135.00 141.68 2aqj s PRO 365 Ca 0.63 -0.32 0.04 0.00 0.04 0.00 0.00 61.00 61.39 2aqj s PRO 365 Cb -0.42 -2.27 0.04 0.00 0.04 0.00 0.00 34.50 31.89 2aqj s PRO 365 CO 0.39 -0.99 0.31 -0.40 0.04 0.00 0.00 177.00 176.36 2aqj n ASP 366 N -2.70 1.43 0.02 6.66 5.68 -1.26 -4.40 116.55 121.97 2aqj n ASP 366 Ca 0.07 -1.85 0.08 0.00 -0.50 0.00 0.00 54.79 52.58 2aqj n ASP 366 Cb 0.60 -0.12 0.33 0.00 -1.14 0.00 0.00 41.12 40.79 2aqj n ASP 366 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 2aqj n THR 367 N -1.41 0.97 0.30 2.12 -2.24 -0.00 -1.80 114.28 112.22 2aqj n THR 367 Ca 0.04 0.24 0.14 0.00 -2.27 0.00 0.00 64.05 62.20 2aqj n THR 367 Cb 0.31 -1.01 0.40 0.00 -2.10 0.00 0.00 70.33 67.92 2aqj n THR 367 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2aqj h SER 368 N 0.00 0.00 -6.15 3.42 4.64 -1.95 -3.48 113.55 110.02 2aqj h SER 368 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 2aqj h SER 368 Cb 0.27 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.42 2aqj h SER 368 CO 0.00 0.00 -0.80 0.49 -0.87 0.00 0.00 176.83 175.65 2aqj n PHE 369 N -2.93 -2.14 -1.66 4.77 3.72 -0.75 -4.84 117.46 113.64 2aqj n PHE 369 Ca 0.03 0.65 -0.43 0.00 -0.05 0.00 0.00 57.45 57.65 2aqj n PHE 369 Cb 0.42 -3.45 -0.03 0.00 -0.94 0.00 0.00 39.48 35.48 2aqj n PHE 369 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2aqj n ASP 370 N -2.51 4.06 0.29 4.37 -0.08 -1.26 -4.85 116.55 116.56 2aqj n ASP 370 Ca -0.12 0.85 0.19 0.00 -1.51 0.00 0.00 54.79 54.20 2aqj n ASP 370 Cb 0.59 -1.52 0.93 0.00 2.34 0.00 0.00 41.12 43.47 2aqj n ASP 370 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2aqj h PRO 371 N 10.92 0.00 -0.12 -0.67 0.13 -2.00 -1.59 132.00 138.68 2aqj h PRO 371 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 2aqj h PRO 371 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2aqj h PRO 371 CO 0.94 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.58 2aqj h ARG 372 N 0.00 0.18 -0.04 0.86 3.08 -1.99 0.17 114.38 116.65 2aqj h ARG 372 Ca 0.00 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2aqj h ARG 372 Cb 0.19 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.21 2aqj h ARG 372 CO 0.00 0.32 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.99 2aqj h LEU 373 N 0.17 0.20 -0.73 3.04 3.38 -1.64 -2.49 115.31 117.24 2aqj h LEU 373 Ca 0.04 -0.65 -0.12 0.00 0.09 0.00 0.00 57.88 57.23 2aqj h LEU 373 Cb 0.35 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2aqj h LEU 373 CO 0.02 0.82 -0.38 0.77 0.09 0.00 0.00 178.44 179.77 2aqj h SER 374 N -0.41 0.56 -0.21 -0.43 4.64 -1.56 -0.96 113.55 115.20 2aqj h SER 374 Ca -0.01 -0.24 0.01 0.00 -0.47 0.00 0.00 61.79 61.09 2aqj h SER 374 Cb 0.82 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 2aqj h SER 374 CO 0.03 0.89 0.09 0.44 -0.87 0.00 0.00 176.83 177.41 2aqj h ASP 375 N 0.45 0.13 -0.48 4.97 3.32 -0.71 0.16 116.42 124.26 2aqj h ASP 375 Ca 0.04 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 2aqj h ASP 375 Cb 0.86 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 2aqj h ASP 375 CO 0.07 0.10 0.20 0.00 -1.72 0.00 0.00 179.24 177.90 2aqj h ALA 376 N 1.11 0.63 -0.14 3.45 0.00 -1.24 -1.50 119.26 121.57 2aqj h ALA 376 Ca 0.09 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2aqj h ALA 376 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2aqj h ALA 376 CO -0.07 0.22 0.03 0.35 0.00 0.00 0.00 179.25 179.79 2aqj h PHE 377 N 0.64 0.06 -0.94 0.00 3.57 -0.99 -2.34 116.94 116.94 2aqj h PHE 377 Ca 0.16 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.73 2aqj h PHE 377 Cb 0.18 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 2aqj h PHE 377 CO 0.00 0.03 0.60 -0.91 -2.23 0.00 0.00 178.31 175.80 2aqj h ASN 378 N 0.10 0.95 -0.71 0.41 2.35 -0.46 -1.12 115.58 117.10 2aqj h ASN 378 Ca 0.06 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 2aqj h ASN 378 Cb 0.04 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 2aqj h ASN 378 CO -0.07 0.61 0.27 0.00 -1.65 0.00 0.00 177.43 176.58 2aqj h ALA 379 N 1.43 1.10 -0.55 -0.83 0.00 -1.03 -0.99 119.26 118.39 2aqj h ALA 379 Ca 0.41 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2aqj h ALA 379 Cb 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2aqj h ALA 379 CO -0.17 0.63 0.15 0.93 0.00 0.00 0.00 179.25 180.78 2aqj h GLU 380 N 1.06 0.88 -0.69 0.00 4.39 -0.70 -1.93 114.58 117.58 2aqj h GLU 380 Ca 0.24 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.68 2aqj h GLU 380 Cb 0.24 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 2aqj h GLU 380 CO -0.02 0.82 0.20 0.82 -1.16 0.00 0.00 179.01 179.67 2aqj h ILE 381 N 0.78 1.26 -0.50 3.13 1.08 -1.07 -1.05 117.51 121.13 2aqj h ILE 381 Ca 0.17 -0.90 -0.03 0.00 -0.39 0.00 0.00 64.86 63.72 2aqj h ILE 381 Cb 0.32 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.58 2aqj h ILE 381 CO -0.00 0.35 0.21 0.58 -0.69 0.00 0.00 178.15 178.60 2aqj h VAL 382 N 1.02 1.21 -0.11 1.67 2.07 -1.01 -0.39 116.25 120.70 2aqj h VAL 382 Ca 0.22 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2aqj h VAL 382 Cb 0.32 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2aqj h VAL 382 CO -0.00 0.24 0.07 -0.74 0.02 0.00 0.00 177.57 177.16 2aqj h HIS 383 N 0.67 0.13 0.21 1.57 -0.00 -1.17 -0.46 115.15 116.09 2aqj h HIS 383 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 2aqj h HIS 383 Cb 0.18 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 2aqj h HIS 383 CO 0.00 0.08 -0.20 1.98 -0.00 0.00 0.00 177.93 179.79 2aqj h MET 384 N 0.14 -0.42 -0.08 5.26 -1.53 -0.98 -1.51 114.93 115.82 2aqj h MET 384 Ca 0.04 0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.32 2aqj h MET 384 Cb -0.01 0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.13 2aqj h MET 384 CO -0.02 -0.28 0.01 0.35 0.14 0.00 0.00 176.91 177.12 2aqj h PHE 385 N -0.43 0.14 -0.28 1.39 3.57 -0.99 -2.65 116.94 117.68 2aqj h PHE 385 Ca -0.00 -0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.36 2aqj h PHE 385 Cb 0.40 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2aqj h PHE 385 CO -0.15 0.34 -0.30 -0.44 -2.23 0.00 0.00 178.31 175.53 2aqj h ASP 386 N -0.10 0.60 -0.79 0.41 5.19 -1.05 0.13 116.42 120.81 2aqj h ASP 386 Ca 0.02 -0.23 0.01 0.00 -0.62 0.00 0.00 57.03 56.21 2aqj h ASP 386 Cb 0.27 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.58 2aqj h ASP 386 CO 0.00 0.87 0.52 -0.78 -3.12 0.00 0.00 179.24 176.74 2aqj h ASP 387 N 0.50 0.90 0.01 6.45 3.58 -1.30 -0.20 116.42 126.37 2aqj h ASP 387 Ca 0.06 -0.02 -0.19 0.00 0.42 0.00 0.00 57.03 57.30 2aqj h ASP 387 Cb 0.77 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2aqj h ASP 387 CO 0.06 0.65 -0.69 0.00 -2.88 0.00 0.00 179.24 176.39 2aqj h ARG 389 N 0.44 0.60 -0.64 0.00 2.43 -0.52 0.16 114.38 116.86 2aqj h ARG 389 Ca -0.03 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 2aqj h ARG 389 Cb 1.28 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.67 2aqj h ARG 389 CO 0.13 0.41 0.10 -0.44 -1.51 0.00 0.00 179.97 178.67 2aqj h ASP 390 N 0.60 0.99 -0.12 -3.80 3.32 -1.00 0.95 116.42 117.36 2aqj h ASP 390 Ca 0.16 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2aqj h ASP 390 Cb -0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 2aqj h ASP 390 CO -0.03 0.99 0.04 0.15 -1.72 0.00 0.00 179.24 178.67 2aqj h PHE 391 N 0.98 0.19 -0.54 4.55 3.57 -0.74 -0.96 116.94 123.99 2aqj h PHE 391 Ca 0.20 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.72 2aqj h PHE 391 Cb 0.42 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 2aqj h PHE 391 CO 0.03 0.31 0.29 0.28 -2.23 0.00 0.00 178.31 176.99 2aqj h VAL 392 N 0.02 0.98 -0.36 1.41 2.07 -0.82 -2.57 116.25 116.97 2aqj h VAL 392 Ca 0.04 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2aqj h VAL 392 Cb 0.20 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2aqj h VAL 392 CO -0.00 0.10 0.15 -0.61 0.02 0.00 0.00 177.57 177.23 2aqj h GLN 393 N 0.56 0.51 0.00 1.57 4.15 -0.52 -0.75 115.11 120.63 2aqj h GLN 393 Ca 0.23 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.59 2aqj h GLN 393 Cb 0.12 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.71 2aqj h GLN 393 CO -0.15 0.42 0.00 0.00 -1.93 0.00 0.00 178.83 177.17 2aqj h ALA 394 N 1.66 1.00 0.00 3.38 0.00 -0.75 0.16 119.26 124.70 2aqj h ALA 394 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 2aqj h ALA 394 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2aqj h ALA 394 CO -0.01 0.00 -0.58 0.45 0.00 0.00 0.00 179.25 179.11 2aqj h HIS 395 N 0.00 0.00 0.08 0.00 3.86 -1.13 -3.20 115.15 114.76 2aqj h HIS 395 Ca 0.00 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.91 2aqj h HIS 395 Cb 0.14 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 2aqj h HIS 395 CO 0.00 0.58 -1.64 1.88 0.86 0.00 0.00 177.93 179.61 2aqj h TYR 396 N 0.00 0.33 0.00 2.45 0.05 -0.81 -3.33 116.97 115.66 2aqj h TYR 396 Ca -0.01 -0.24 0.00 0.00 0.05 0.00 0.00 58.73 58.54 2aqj h TYR 396 Cb 1.10 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2aqj h TYR 396 CO 0.00 1.65 -0.14 1.97 -1.05 0.00 0.00 178.16 180.59 2aqj n PHE 397 N -3.88 0.03 1.02 4.88 1.16 -0.73 -3.32 117.46 116.63 2aqj n PHE 397 Ca -0.30 0.01 0.11 0.00 -1.87 0.00 0.00 57.45 55.39 2aqj n PHE 397 Cb 0.90 -0.45 0.00 0.00 -1.61 0.00 0.00 39.48 38.32 2aqj n PHE 397 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2aqj n THR 398 N -1.53 0.00 -1.95 1.97 -2.24 -1.21 -4.69 114.28 104.63 2aqj n THR 398 Ca 0.07 -0.09 -0.36 0.00 -2.27 0.00 0.00 64.05 61.39 2aqj n THR 398 Cb 0.34 0.94 0.04 0.00 -2.10 0.00 0.00 70.33 69.55 2aqj n THR 398 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2aqj s THR 399 N -2.79 2.52 -2.74 4.28 -1.32 -1.21 -4.73 115.64 109.65 2aqj s THR 399 Ca 0.13 0.32 0.24 0.00 -1.21 0.00 0.00 61.69 61.17 2aqj s THR 399 Cb 0.17 -3.12 0.30 0.00 -1.51 0.00 0.00 72.50 68.34 2aqj s THR 399 CO 0.73 -0.07 1.32 -1.20 -2.21 0.00 0.00 174.62 173.19 2aqj n SER 400 N -1.68 3.22 -4.75 8.08 7.64 -1.19 -4.88 113.62 120.06 2aqj n SER 400 Ca 0.14 -1.99 -0.41 0.00 1.01 0.00 0.00 58.87 57.61 2aqj n SER 400 Cb 0.49 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.55 2aqj n SER 400 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2aqj s ARG 401 N -1.75 4.29 -0.00 1.43 0.52 -1.25 -4.68 118.95 117.51 2aqj s ARG 401 Ca 0.33 2.27 0.00 0.00 -0.52 0.00 0.00 55.73 57.81 2aqj s ARG 401 Cb 0.21 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.59 2aqj s ARG 401 CO 0.31 -0.35 0.67 -0.40 0.02 0.00 0.00 175.30 175.55 2aqj n ASP 402 N 1.84 0.11 0.09 0.23 5.68 -1.26 -4.38 116.55 118.86 2aqj n ASP 402 Ca 0.05 -1.35 0.13 0.00 -0.50 0.00 0.00 54.79 53.11 2aqj n ASP 402 Cb 0.41 -0.06 0.40 0.00 -1.14 0.00 0.00 41.12 40.73 2aqj n ASP 402 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2aqj n ASP 403 N -0.04 0.75 -4.23 -1.12 5.75 -1.26 -4.74 116.55 111.65 2aqj n ASP 403 Ca 0.00 0.53 -0.14 0.00 -0.01 0.00 0.00 54.79 55.18 2aqj n ASP 403 Cb 0.55 -0.70 -0.10 0.00 -1.03 0.00 0.00 41.12 39.84 2aqj n ASP 403 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2aqj s THR 404 N -3.10 1.09 0.31 2.12 -4.23 -1.26 -5.04 115.64 105.54 2aqj s THR 404 Ca 0.11 -1.98 0.08 0.00 -1.18 0.00 0.00 61.69 58.72 2aqj s THR 404 Cb 0.13 -1.76 0.31 0.00 1.34 0.00 0.00 72.50 72.52 2aqj s THR 404 CO 0.60 -0.73 1.73 -0.65 -0.54 0.00 0.00 174.62 175.04 2aqj h PRO 405 N 2.92 0.57 -0.13 3.99 0.11 -1.89 -2.06 132.00 135.51 2aqj h PRO 405 Ca -0.37 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.71 2aqj h PRO 405 Cb 1.19 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2aqj h PRO 405 CO 0.62 0.38 0.08 0.35 -0.21 0.00 0.00 178.00 179.22 2aqj h PHE 406 N 0.59 0.17 -0.30 0.65 3.57 -1.94 -1.07 116.94 118.62 2aqj h PHE 406 Ca 0.63 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.99 2aqj h PHE 406 Cb 1.16 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 2aqj h PHE 406 CO -0.02 0.15 -0.36 -1.49 -2.23 0.00 0.00 178.31 174.36 2aqj h TRP 407 N 0.15 0.80 -0.78 0.41 4.06 -1.71 -2.38 115.95 116.50 2aqj h TRP 407 Ca 0.05 -0.22 -0.02 0.00 2.06 0.00 0.00 58.89 60.76 2aqj h TRP 407 Cb 0.03 -0.18 -0.04 0.00 -1.00 0.00 0.00 29.16 27.97 2aqj h TRP 407 CO -0.06 0.94 0.42 -0.07 -3.56 0.00 0.00 178.44 176.11 2aqj h LEU 408 N 0.57 0.99 -0.67 -4.49 3.38 -1.29 -1.88 115.31 111.90 2aqj h LEU 408 Ca 0.06 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2aqj h LEU 408 Cb 0.88 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 2aqj h LEU 408 CO 0.08 0.81 0.44 0.00 0.09 0.00 0.00 178.44 179.86 2aqj h ALA 409 N 1.22 0.86 -0.78 1.53 0.00 -1.00 -1.33 119.26 119.76 2aqj h ALA 409 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2aqj h ALA 409 Cb 0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2aqj h ALA 409 CO -0.04 0.26 0.43 -0.91 0.00 0.00 0.00 179.25 178.99 2aqj h ASN 410 N 0.89 0.97 0.22 0.00 2.35 -1.20 0.91 115.58 119.73 2aqj h ASN 410 Ca 0.25 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 2aqj h ASN 410 Cb -0.08 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.03 2aqj h ASN 410 CO -0.07 0.79 -0.34 0.03 -1.65 0.00 0.00 177.43 176.19 2aqj h ARG 411 N 1.08 0.19 0.00 0.81 3.08 -1.00 -3.35 114.38 115.18 2aqj h ARG 411 Ca 0.27 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2aqj h ARG 411 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2aqj h ARG 411 CO -0.04 0.51 -1.00 0.72 -1.07 0.00 0.00 179.97 179.09 2aqj n HIS 412 N -4.09 0.00 0.37 3.04 8.25 -0.53 -4.88 115.22 117.37 2aqj n HIS 412 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 2aqj n HIS 412 Cb 0.42 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.73 2aqj n HIS 412 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2aqj n ASP 413 N -2.21 3.40 -4.83 0.41 8.00 0.31 -4.99 116.55 116.65 2aqj n ASP 413 Ca 0.00 -1.99 -0.34 0.00 0.71 0.00 0.00 54.79 53.18 2aqj n ASP 413 Cb 0.50 -0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.32 2aqj n ASP 413 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2aqj s LEU 414 N -1.52 4.12 -0.15 0.64 1.43 -1.23 -4.99 118.68 116.97 2aqj s LEU 414 Ca 0.37 1.42 -0.20 0.00 -1.03 0.00 0.00 54.13 54.70 2aqj s LEU 414 Cb 0.22 -4.06 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 2aqj s LEU 414 CO 0.31 -0.17 0.56 -0.60 0.23 0.00 0.00 176.35 176.68 2aqj s ARG 415 N -2.74 4.28 -0.10 1.70 3.52 -0.39 -5.02 118.95 120.21 2aqj s ARG 415 Ca 0.53 0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 56.67 2aqj s ARG 415 Cb -0.12 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.74 2aqj s ARG 415 CO 0.18 -0.04 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.07 2aqj s LEU 416 N 1.24 3.23 0.77 -0.88 1.02 -1.26 -4.43 118.68 118.36 2aqj s LEU 416 Ca 0.28 -0.05 -0.13 0.00 0.02 0.00 0.00 54.13 54.26 2aqj s LEU 416 Cb -0.16 -1.73 0.06 0.00 0.02 0.00 0.00 46.19 44.38 2aqj s LEU 416 CO 0.11 0.30 1.14 -0.94 0.02 0.00 0.00 176.35 176.98 2aqj s SER 417 N -0.40 4.21 0.32 2.29 1.04 -1.26 -4.92 113.70 114.98 2aqj s SER 417 Ca 0.06 2.08 0.01 0.00 0.48 0.00 0.00 55.95 58.59 2aqj s SER 417 Cb -0.12 -2.56 0.53 0.00 0.10 0.00 0.00 66.02 63.98 2aqj s SER 417 CO 0.02 -2.24 1.91 0.44 0.98 0.00 0.00 173.24 174.35 2aqj h ASP 418 N -0.81 0.69 -0.57 7.02 3.32 -1.99 -2.63 116.42 121.45 2aqj h ASP 418 Ca -0.45 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 2aqj h ASP 418 Cb 1.26 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 2aqj h ASP 418 CO 0.49 0.63 0.26 0.00 -1.72 0.00 0.00 179.24 178.90 2aqj h ALA 419 N 1.48 0.74 -0.00 3.45 0.00 -2.00 -1.73 119.26 121.19 2aqj h ALA 419 Ca 0.18 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 2aqj h ALA 419 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2aqj h ALA 419 CO -0.02 0.31 -0.94 0.97 0.00 0.00 0.00 179.25 179.58 2aqj h ILE 420 N 0.77 1.40 -0.72 0.00 6.09 -1.91 -2.31 117.51 120.83 2aqj h ILE 420 Ca 0.19 -2.44 0.07 0.00 -1.37 0.00 0.00 64.86 61.32 2aqj h ILE 420 Cb 0.14 2.41 -0.06 0.00 0.47 0.00 0.00 36.82 39.78 2aqj h ILE 420 CO -0.02 0.73 0.40 0.11 -3.07 0.00 0.00 178.15 176.29 2aqj h LYS 421 N 0.23 0.69 -0.51 2.19 1.57 -1.27 -1.45 116.57 118.02 2aqj h LYS 421 Ca -0.08 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 2aqj h LYS 421 Cb 1.57 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.70 2aqj h LYS 421 CO 0.16 0.45 0.14 1.49 -0.57 0.00 0.00 179.45 181.12 2aqj h GLU 422 N 0.71 0.81 -0.63 3.15 4.81 -1.15 -0.69 114.58 121.58 2aqj h GLU 422 Ca 0.33 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2aqj h GLU 422 Cb 0.26 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2aqj h GLU 422 CO -0.21 0.77 0.22 0.87 -0.73 0.00 0.00 179.01 179.93 2aqj h LYS 423 N 0.70 0.96 -0.66 1.92 1.57 -0.99 -1.40 116.57 118.67 2aqj h LYS 423 Ca 0.16 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 2aqj h LYS 423 Cb 0.31 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2aqj h LYS 423 CO -0.00 0.83 0.13 0.28 -0.57 0.00 0.00 179.45 180.12 2aqj h VAL 424 N 0.89 1.26 -0.15 0.50 2.07 -1.01 0.12 116.25 119.93 2aqj h VAL 424 Ca 0.21 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2aqj h VAL 424 Cb 0.25 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 2aqj h VAL 424 CO -0.01 0.38 0.10 -0.61 0.02 0.00 0.00 177.57 177.45 2aqj h GLN 425 N 1.00 0.20 -0.35 1.57 4.15 -0.94 1.00 115.11 121.74 2aqj h GLN 425 Ca 0.20 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.61 2aqj h GLN 425 Cb 0.41 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 2aqj h GLN 425 CO 0.01 0.14 0.23 0.00 -1.93 0.00 0.00 178.83 177.27 2aqj h ARG 426 N 0.21 0.47 -0.47 1.69 3.08 -0.90 -1.50 114.38 116.96 2aqj h ARG 426 Ca 0.06 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.13 2aqj h ARG 426 Cb -0.02 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.88 2aqj h ARG 426 CO -0.01 0.33 0.20 -0.92 -1.07 0.00 0.00 179.97 178.50 2aqj h TYR 427 N 0.48 0.37 -0.04 3.04 3.20 -0.71 -1.69 116.97 121.62 2aqj h TYR 427 Ca 0.13 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 2aqj h TYR 427 Cb -0.04 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 2aqj h TYR 427 CO -0.05 0.16 -0.31 0.87 -1.64 0.00 0.00 178.16 177.19 2aqj h LYS 428 N 0.40 0.07 0.00 1.82 1.57 -0.55 -0.28 116.57 119.60 2aqj h LYS 428 Ca 0.22 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2aqj h LYS 428 Cb 0.18 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2aqj h LYS 428 CO -0.19 0.38 0.00 0.00 -0.57 0.00 0.00 179.45 179.07 2aqj n ALA 429 N -2.48 1.76 0.00 3.86 0.00 -0.59 -0.43 120.51 122.63 2aqj n ALA 429 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2aqj n ALA 429 Cb 0.37 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2aqj n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aqj n GLY 430 N 0.21 0.64 3.75 0.00 0.00 -0.12 -4.69 105.19 104.99 2aqj n GLY 430 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2aqj n GLY 430 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aqj s LEU 431 N 0.00 4.60 0.70 0.99 1.43 -0.67 -4.37 118.68 121.35 2aqj s LEU 431 Ca 0.00 1.97 -0.15 0.00 -1.03 0.00 0.00 54.13 54.92 2aqj s LEU 431 Cb 0.00 -3.66 0.02 0.00 0.03 0.00 0.00 46.19 42.58 2aqj s LEU 431 CO 0.00 0.10 1.16 -2.16 0.23 0.00 0.00 176.35 175.68 2aqj s PRO 432 N -1.32 2.46 0.00 1.29 0.04 -1.26 -4.09 135.00 132.12 2aqj s PRO 432 Ca 0.43 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2aqj s PRO 432 Cb -0.26 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2aqj s PRO 432 CO 0.32 -1.55 0.00 1.28 0.04 0.00 0.00 177.00 177.09 2aqj n LEU 433 N -2.58 0.00 -4.69 -3.56 4.77 -1.26 -4.90 117.00 104.78 2aqj n LEU 433 Ca 0.12 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 2aqj n LEU 433 Cb 0.51 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 2aqj n LEU 433 CO 0.48 0.00 1.28 -0.89 -1.33 0.00 0.00 177.39 176.92 2aqj s THR 434 N 0.88 3.20 0.22 -5.08 2.01 -1.26 -4.53 115.64 111.08 2aqj s THR 434 Ca 0.00 0.64 0.11 0.00 0.31 0.00 0.00 61.69 62.75 2aqj s THR 434 Cb 0.00 -3.41 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2aqj s THR 434 CO 0.00 -0.00 -0.21 0.42 -0.69 0.00 0.00 174.62 174.14 2aqj s THR 435 N 2.58 2.49 0.05 -0.82 -4.23 -1.26 0.36 115.64 114.81 2aqj s THR 435 Ca 0.71 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 2aqj s THR 435 Cb -0.38 -2.24 -0.03 0.00 1.34 0.00 0.00 72.50 71.20 2aqj s THR 435 CO 0.31 -0.22 -0.06 0.28 -0.54 0.00 0.00 174.62 174.39 2aqj s THR 436 N -1.97 0.44 -2.10 3.99 -1.32 -1.26 -5.00 115.64 108.43 2aqj s THR 436 Ca 0.24 -1.26 0.28 0.00 -1.21 0.00 0.00 61.69 59.75 2aqj s THR 436 Cb -0.07 -0.80 0.47 0.00 -1.51 0.00 0.00 72.50 70.59 2aqj s THR 436 CO 0.12 -0.55 1.74 -1.54 -2.21 0.00 0.00 174.62 172.18 2aqj n SER 437 N 1.11 1.10 -4.76 8.08 3.41 -1.26 -4.88 113.62 116.42 2aqj n SER 437 Ca -0.20 -1.14 -0.39 0.00 -0.26 0.00 0.00 58.87 56.88 2aqj n SER 437 Cb 0.56 0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.58 2aqj n SER 437 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2aqj s PHE 438 N -2.23 2.35 0.87 7.33 2.99 -1.26 -5.02 117.98 123.01 2aqj s PHE 438 Ca 0.33 1.29 -0.13 0.00 0.00 0.00 0.00 56.93 58.42 2aqj s PHE 438 Cb 0.20 -3.91 0.12 0.00 0.00 0.00 0.00 43.02 39.44 2aqj s PHE 438 CO 0.42 -3.03 1.20 0.16 -0.00 0.00 0.00 175.22 173.97 2aqj s ASP 439 N -0.64 3.95 0.28 1.36 3.84 -1.26 -4.85 116.67 119.34 2aqj s ASP 439 Ca 0.65 0.69 0.00 0.00 -0.00 0.00 0.00 52.55 53.89 2aqj s ASP 439 Cb -0.43 -1.08 0.50 0.00 -1.38 0.00 0.00 42.92 40.53 2aqj s ASP 439 CO 0.54 -2.25 1.86 0.44 -0.00 0.00 0.00 175.17 175.76 2aqj h ASP 440 N -1.30 0.97 -0.24 2.11 3.32 -1.95 -0.75 116.42 118.57 2aqj h ASP 440 Ca -0.46 0.03 0.03 0.00 0.02 0.00 0.00 57.03 56.64 2aqj h ASP 440 Cb 1.31 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.66 2aqj h ASP 440 CO 0.58 0.56 0.08 0.28 -1.72 0.00 0.00 179.24 179.02 2aqj h SER 441 N 1.06 0.08 -0.20 6.45 0.02 -1.98 0.08 113.55 119.06 2aqj h SER 441 Ca 0.47 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.43 2aqj h SER 441 Cb 0.36 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2aqj h SER 441 CO -0.22 0.08 0.08 0.74 -1.14 0.00 0.00 176.83 176.37 2aqj h THR 442 N 0.19 1.16 -0.21 -2.27 2.02 -1.79 -1.49 112.91 110.52 2aqj h THR 442 Ca 0.11 -0.47 0.04 0.00 0.77 0.00 0.00 66.41 66.85 2aqj h THR 442 Cb 0.08 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2aqj h THR 442 CO -0.12 0.15 -0.01 0.22 0.37 0.00 0.00 175.52 176.14 2aqj h TYR 443 N 0.18 -0.03 -0.00 3.16 3.20 -0.84 -2.18 116.97 120.47 2aqj h TYR 443 Ca 0.07 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 2aqj h TYR 443 Cb 0.16 0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.48 2aqj h TYR 443 CO -0.01 -0.04 -0.00 0.66 -1.64 0.00 0.00 178.16 177.12 2aqj n TYR 444 N -5.15 0.00 1.09 -3.82 4.01 -0.01 -2.20 117.16 111.08 2aqj n TYR 444 Ca -0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.84 2aqj n TYR 444 Cb 0.11 -0.48 0.19 0.00 -0.31 0.00 0.00 39.34 38.86 2aqj n TYR 444 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2aqj n GLU 445 N -1.48 2.20 -3.84 -0.72 1.02 -0.57 -4.72 120.64 112.52 2aqj n GLU 445 Ca 0.08 -1.74 -0.28 0.00 -0.02 0.00 0.00 57.16 55.20 2aqj n GLU 445 Cb 0.33 -1.46 -0.12 0.00 -0.02 0.00 0.00 31.44 30.17 2aqj n GLU 445 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2aqj n THR 446 N 1.11 1.37 0.19 2.62 -1.04 -0.86 -4.95 114.28 112.73 2aqj n THR 446 Ca 0.15 -4.73 0.03 0.00 -2.04 0.00 0.00 64.05 57.46 2aqj n THR 446 Cb 0.55 -2.13 0.38 0.00 -1.82 0.00 0.00 70.33 67.31 2aqj n THR 446 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2aqj h PHE 447 N 5.39 0.00 -0.04 -1.42 3.57 -1.85 -0.76 116.94 121.83 2aqj h PHE 447 Ca 0.16 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 2aqj h PHE 447 Cb 0.77 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 2aqj h PHE 447 CO 0.65 0.34 -0.13 -0.44 -2.23 0.00 0.00 178.31 176.50 2aqj h ASP 448 N 0.00 0.05 0.10 0.41 3.32 -1.94 0.23 116.42 118.58 2aqj h ASP 448 Ca -0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2aqj h ASP 448 Cb 0.61 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.15 2aqj h ASP 448 CO 0.04 0.19 -0.05 0.22 -1.72 0.00 0.00 179.24 177.93 2aqj h TYR 449 N 0.05 -0.12 -0.89 4.55 3.20 -1.56 -3.26 116.97 118.94 2aqj h TYR 449 Ca 0.01 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2aqj h TYR 449 Cb 0.27 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.53 2aqj h TYR 449 CO 0.00 0.41 0.59 1.49 -1.64 0.00 0.00 178.16 179.01 2aqj h GLU 450 N -0.85 1.17 -1.01 1.82 4.81 -0.84 0.04 114.58 119.72 2aqj h GLU 450 Ca -0.01 -0.07 0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2aqj h GLU 450 Cb 0.58 -0.26 -0.07 0.00 0.63 0.00 0.00 28.75 29.63 2aqj h GLU 450 CO 0.02 0.77 0.65 0.35 -0.73 0.00 0.00 179.01 180.08 2aqj h PHE 451 N 1.20 1.21 0.00 0.92 3.57 -0.68 -1.32 116.94 121.85 2aqj h PHE 451 Ca 0.33 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.86 2aqj h PHE 451 Cb -0.13 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 38.21 2aqj h PHE 451 CO -0.01 0.64 -0.71 1.63 -2.23 0.00 0.00 178.31 177.62 2aqj n LYS 452 N -4.49 0.20 -3.15 1.11 4.76 -0.99 -4.34 118.16 111.26 2aqj n LYS 452 Ca 0.15 0.03 -0.23 0.00 -2.87 0.00 0.00 58.31 55.40 2aqj n LYS 452 Cb 0.17 -1.60 -0.05 0.00 -1.84 0.00 0.00 35.03 31.71 2aqj n LYS 452 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2aqj n ASN 453 N -1.89 1.99 0.07 4.39 3.02 -0.04 -4.94 115.26 117.86 2aqj n ASN 453 Ca 0.03 -3.17 -0.13 0.00 -0.03 0.00 0.00 54.58 51.28 2aqj n ASN 453 Cb 0.41 -0.61 -0.14 0.00 -0.61 0.00 0.00 39.78 38.83 2aqj n ASN 453 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 2aqj h PHE 454 N 3.33 0.30 -3.37 3.10 3.57 -1.46 -3.42 116.94 118.99 2aqj h PHE 454 Ca 0.11 -0.22 -0.66 0.00 3.53 0.00 0.00 57.97 60.73 2aqj h PHE 454 Cb 0.79 -0.01 -0.30 0.00 2.79 0.00 0.00 35.95 39.22 2aqj h PHE 454 CO 0.57 1.21 -0.75 -1.58 -2.23 0.00 0.00 178.31 175.53 2aqj s TRP 455 N -2.65 2.96 0.54 0.41 0.52 -1.26 -5.06 118.94 114.40 2aqj s TRP 455 Ca -0.04 -1.21 0.09 0.00 0.02 0.00 0.00 56.10 54.95 2aqj s TRP 455 Cb 0.08 -2.07 0.07 0.00 -1.15 0.00 0.00 33.47 30.40 2aqj s TRP 455 CO 0.85 -0.64 0.75 -0.51 0.02 0.00 0.00 176.95 177.42 2aqj s LEU 456 N 1.41 3.23 0.24 2.99 1.43 -1.26 -4.67 118.68 122.05 2aqj s LEU 456 Ca 0.04 -0.72 -0.06 0.00 -1.03 0.00 0.00 54.13 52.36 2aqj s LEU 456 Cb -0.15 -1.89 0.44 0.00 0.03 0.00 0.00 46.19 44.62 2aqj s LEU 456 CO -0.05 -1.23 1.68 -1.13 0.23 0.00 0.00 176.35 175.85 2aqj h ASN 457 N 0.25 -0.03 -0.65 2.29 -1.24 -0.33 -0.93 115.58 114.95 2aqj h ASN 457 Ca -0.32 0.15 -0.01 0.00 0.71 0.00 0.00 56.30 56.82 2aqj h ASN 457 Cb 1.29 0.21 -0.03 0.00 0.73 0.00 0.00 38.32 40.51 2aqj h ASN 457 CO 0.42 -0.05 0.38 1.23 -1.29 0.00 0.00 177.43 178.11 2aqj h GLY 458 N 0.25 0.97 0.77 1.57 0.00 -1.92 -0.29 103.07 104.43 2aqj h GLY 458 Ca 0.40 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2aqj h GLY 458 CO -0.52 0.40 -0.03 3.43 0.00 0.00 0.00 176.54 179.82 2aqj h ASN 459 N 0.92 -0.08 -0.46 0.19 4.21 -1.52 0.10 115.58 118.95 2aqj h ASN 459 Ca 0.24 -0.21 0.04 0.00 1.21 0.00 0.00 56.30 57.58 2aqj h ASN 459 Cb 0.00 0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 37.18 2aqj h ASN 459 CO -0.04 0.17 0.22 1.88 -1.29 0.00 0.00 177.43 178.36 2aqj h TYR 460 N -0.32 0.39 -0.74 1.19 0.05 -1.23 -2.58 116.97 113.74 2aqj h TYR 460 Ca -0.01 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.76 2aqj h TYR 460 Cb 0.28 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 37.88 2aqj h TYR 460 CO 0.00 0.19 0.35 1.88 -1.05 0.00 0.00 178.16 179.53 2aqj h TYR 461 N 0.43 1.08 -0.68 4.88 -1.99 -0.92 0.23 116.97 120.00 2aqj h TYR 461 Ca 0.20 -0.06 0.07 0.00 2.00 0.00 0.00 58.73 60.94 2aqj h TYR 461 Cb 0.13 -0.33 -0.06 0.00 2.00 0.00 0.00 36.73 38.47 2aqj h TYR 461 CO -0.11 0.80 0.36 0.00 -0.00 0.00 0.00 178.16 179.21 2aqj h ILE 463 N 0.65 0.85 -0.12 0.00 1.08 -1.10 -1.67 117.51 117.20 2aqj h ILE 463 Ca 0.31 -1.26 -0.01 0.00 -0.39 0.00 0.00 64.86 63.52 2aqj h ILE 463 Cb 0.25 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.47 2aqj h ILE 463 CO -0.21 0.24 0.04 -0.26 -0.69 0.00 0.00 178.15 177.27 2aqj h PHE 464 N -0.90 0.20 -0.76 1.37 0.04 -0.53 -0.21 116.94 116.14 2aqj h PHE 464 Ca -0.02 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.73 2aqj h PHE 464 Cb 0.52 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.58 2aqj h PHE 464 CO 0.10 0.32 0.47 0.00 -0.60 0.00 0.00 178.31 178.60 2aqj h ALA 465 N 0.86 0.96 -0.98 2.45 0.00 -0.95 -0.07 119.26 121.53 2aqj h ALA 465 Ca 0.04 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2aqj h ALA 465 Cb 0.21 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2aqj h ALA 465 CO -0.00 0.41 0.65 0.78 0.00 0.00 0.00 179.25 181.09 2aqj h GLY 466 N 1.03 1.39 1.59 0.00 0.00 -1.09 -1.24 103.07 104.75 2aqj h GLY 466 Ca 0.27 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2aqj h GLY 466 CO -0.05 0.49 -0.01 1.04 0.00 0.00 0.00 176.54 178.00 2aqj n LEU 467 N -4.40 0.03 0.00 3.11 4.77 -0.11 -4.75 117.00 115.66 2aqj n LEU 467 Ca 0.12 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2aqj n LEU 467 Cb 0.03 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2aqj n LEU 467 CO 0.36 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 2aqj n GLY 468 N 1.32 0.60 3.44 -0.72 0.00 -0.47 -4.49 105.19 104.86 2aqj n GLY 468 Ca 0.13 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 2aqj n GLY 468 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2aqj s MET 469 N -1.18 3.01 0.24 1.61 0.00 -0.14 -5.00 119.30 117.84 2aqj s MET 469 Ca 0.00 -0.97 0.09 0.00 0.00 0.00 0.00 55.69 54.80 2aqj s MET 469 Cb 0.00 -3.83 -0.04 0.00 0.00 0.00 0.00 34.83 30.96 2aqj s MET 469 CO 0.00 -0.67 0.03 -0.51 0.00 0.00 0.00 175.02 173.87 2aqj s LEU 470 N 1.63 3.32 0.84 4.11 1.43 -1.26 -3.71 118.68 125.04 2aqj s LEU 470 Ca 0.04 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 2aqj s LEU 470 Cb -0.19 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 44.27 2aqj s LEU 470 CO 0.08 0.01 1.17 -2.84 0.23 0.00 0.00 176.35 175.01 2aqj s PRO 471 N -3.55 1.45 0.49 1.29 0.02 -1.26 -4.90 135.00 128.55 2aqj s PRO 471 Ca 0.31 1.64 0.14 0.00 0.02 0.00 0.00 61.00 63.11 2aqj s PRO 471 Cb -0.07 -1.77 1.17 0.00 0.02 0.00 0.00 34.50 33.85 2aqj s PRO 471 CO 0.20 -2.33 2.13 -0.44 -0.33 0.00 0.00 177.00 176.23 2aqj h ASP 472 N -1.27 0.12 -4.98 2.53 3.32 -1.02 -3.46 116.42 111.66 2aqj h ASP 472 Ca -0.45 -0.00 0.09 0.00 0.02 0.00 0.00 57.03 56.69 2aqj h ASP 472 Cb 1.28 -0.03 -0.11 0.00 0.22 0.00 0.00 39.33 40.69 2aqj h ASP 472 CO 0.45 0.08 0.38 0.00 -1.72 0.00 0.00 179.24 178.43 2aqj s ARG 473 N -5.17 1.20 0.83 3.56 1.70 -1.26 -5.09 118.95 114.72 2aqj s ARG 473 Ca -0.06 -0.56 -0.11 0.00 -0.47 0.00 0.00 55.73 54.53 2aqj s ARG 473 Cb 0.17 0.47 0.09 0.00 -0.57 0.00 0.00 34.95 35.11 2aqj s ARG 473 CO 0.69 -0.54 1.10 -1.54 -1.08 0.00 0.00 175.30 173.92 2aqj s SER 474 N -2.75 4.19 0.00 -2.89 1.04 -1.26 -4.21 113.70 107.81 2aqj s SER 474 Ca 0.07 1.35 -0.32 0.00 0.48 0.00 0.00 55.95 57.53 2aqj s SER 474 Cb -0.02 -2.06 -0.11 0.00 0.10 0.00 0.00 66.02 63.93 2aqj s SER 474 CO -0.04 -2.17 1.90 0.18 0.98 0.00 0.00 173.24 174.09 2aqj n LEU 475 N -3.56 3.81 -0.16 2.42 4.77 -1.26 -4.86 117.00 118.15 2aqj n LEU 475 Ca 0.07 0.95 0.21 0.00 -0.03 0.00 0.00 56.01 57.21 2aqj n LEU 475 Cb 0.56 -1.46 0.61 0.00 -2.33 0.00 0.00 43.42 40.80 2aqj n LEU 475 CO 0.56 0.07 1.22 -0.65 -1.33 0.00 0.00 177.39 177.26 2aqj h PRO 476 N 9.53 0.21 -0.81 3.23 0.11 -1.92 -1.66 132.00 140.69 2aqj h PRO 476 Ca -0.49 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.73 2aqj h PRO 476 Cb 1.25 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 2aqj h PRO 476 CO 0.94 0.14 0.53 1.25 -0.21 0.00 0.00 178.00 180.65 2aqj h LEU 477 N 0.21 0.61 -2.21 2.35 5.85 -2.01 -1.92 115.31 118.20 2aqj h LEU 477 Ca 0.39 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.12 2aqj h LEU 477 Cb 1.21 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 2aqj h LEU 477 CO -0.08 0.34 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.23 2aqj h LEU 478 N 0.67 0.00 -2.46 2.25 3.38 -1.68 -0.11 115.31 117.36 2aqj h LEU 478 Ca 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.35 2aqj h LEU 478 Cb 0.58 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2aqj h LEU 478 CO -0.15 0.06 -0.02 1.56 0.09 0.00 0.00 178.44 179.97 2aqj h GLN 479 N 0.00 0.00 -0.02 1.13 1.08 -1.49 -1.87 115.11 113.93 2aqj h GLN 479 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2aqj h GLN 479 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 2aqj h GLN 479 CO 0.01 0.02 -0.02 0.72 -0.95 0.00 0.00 178.83 178.60 2aqj n HIS 480 N -3.28 0.00 -3.11 2.96 8.25 -0.06 -4.71 115.22 115.27 2aqj n HIS 480 Ca -0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.21 2aqj n HIS 480 Cb 0.14 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.21 2aqj n HIS 480 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2aqj n ARG 481 N 0.79 2.04 -0.01 -0.41 1.74 -0.70 -4.93 116.66 115.17 2aqj n ARG 481 Ca 0.16 -4.11 0.01 0.00 -0.77 0.00 0.00 57.85 53.14 2aqj n ARG 481 Cb 0.49 -1.93 0.34 0.00 -1.02 0.00 0.00 32.46 30.34 2aqj n ARG 481 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2aqj h PRO 482 N 3.21 0.55 -0.82 5.56 0.13 -1.84 -1.79 132.00 137.00 2aqj h PRO 482 Ca 0.12 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2aqj h PRO 482 Cb 0.74 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 31.73 2aqj h PRO 482 CO 0.66 0.49 0.52 0.93 -0.23 0.00 0.00 178.00 180.37 2aqj h GLU 483 N 0.54 1.10 -0.62 0.86 5.08 -1.96 -1.42 114.58 118.16 2aqj h GLU 483 Ca 0.13 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2aqj h GLU 483 Cb 0.18 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2aqj h GLU 483 CO -0.01 0.75 0.20 0.77 -1.00 0.00 0.00 179.01 179.72 2aqj h SER 484 N 1.12 0.86 -0.76 1.42 0.02 -1.80 -0.10 113.55 114.31 2aqj h SER 484 Ca 0.30 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 61.05 2aqj h SER 484 Cb -0.08 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.20 2aqj h SER 484 CO -0.06 0.81 0.25 0.40 -1.14 0.00 0.00 176.83 177.09 2aqj h ILE 485 N 0.91 1.26 -0.25 3.27 2.04 -0.84 0.26 117.51 124.16 2aqj h ILE 485 Ca 0.20 -0.90 -0.15 0.00 1.00 0.00 0.00 64.86 65.01 2aqj h ILE 485 Cb 0.25 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2aqj h ILE 485 CO -0.01 0.36 -0.47 -0.33 0.00 0.00 0.00 178.15 177.70 2aqj h GLU 486 N 1.13 0.65 -0.82 2.37 4.39 -0.95 -1.74 114.58 119.61 2aqj h GLU 486 Ca 0.25 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 59.59 2aqj h GLU 486 Cb 0.29 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 2aqj h GLU 486 CO -0.01 0.98 0.53 -0.22 -1.16 0.00 0.00 179.01 179.13 2aqj h LYS 487 N 0.52 1.09 -0.67 2.33 3.64 -0.60 -2.41 116.57 120.46 2aqj h LYS 487 Ca 0.03 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2aqj h LYS 487 Cb 1.01 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 2aqj h LYS 487 CO 0.09 0.73 0.21 0.00 -2.27 0.00 0.00 179.45 178.21 2aqj h ALA 488 N 1.29 1.09 -0.88 5.00 0.00 -0.63 -1.96 119.26 123.17 2aqj h ALA 488 Ca 0.30 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2aqj h ALA 488 Cb -0.11 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.34 2aqj h ALA 488 CO -0.06 0.62 0.52 0.93 0.00 0.00 0.00 179.25 181.26 2aqj h GLU 489 N 1.00 0.83 -0.47 0.00 4.39 -0.84 0.18 114.58 119.66 2aqj h GLU 489 Ca 0.22 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.79 2aqj h GLU 489 Cb 0.29 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2aqj h GLU 489 CO -0.01 0.55 -0.04 0.00 -1.16 0.00 0.00 179.01 178.36 2aqj h ALA 490 N 1.48 1.06 -0.50 3.43 0.00 -1.04 -1.08 119.26 122.62 2aqj h ALA 490 Ca 0.43 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2aqj h ALA 490 Cb 0.40 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2aqj h ALA 490 CO -0.25 0.59 -0.11 0.52 0.00 0.00 0.00 179.25 179.99 2aqj h MET 491 N 0.74 0.95 -0.76 0.00 2.86 -0.64 -0.86 114.93 117.22 2aqj h MET 491 Ca 0.14 -0.36 -0.04 0.00 -2.06 0.00 0.00 59.70 57.38 2aqj h MET 491 Cb 0.50 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2aqj h MET 491 CO 0.03 1.02 0.31 0.74 1.06 0.00 0.00 176.91 180.07 2aqj h PHE 492 N 0.81 1.14 -0.89 -0.22 0.04 -0.45 -1.56 116.94 115.80 2aqj h PHE 492 Ca 0.13 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.82 2aqj h PHE 492 Cb 0.67 -0.34 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 2aqj h PHE 492 CO 0.05 0.86 0.57 0.00 -0.60 0.00 0.00 178.31 179.19 2aqj h ALA 493 N 1.24 1.13 -0.68 2.45 0.00 -0.95 -1.68 119.26 120.77 2aqj h ALA 493 Ca 0.25 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2aqj h ALA 493 Cb 0.20 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2aqj h ALA 493 CO -0.02 0.54 0.19 0.77 0.00 0.00 0.00 179.25 180.73 2aqj h SER 494 N 1.21 1.00 -0.49 0.00 0.02 -0.62 -1.73 113.55 112.94 2aqj h SER 494 Ca 0.32 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 2aqj h SER 494 Cb -0.12 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.14 2aqj h SER 494 CO -0.07 0.95 0.17 0.40 -1.14 0.00 0.00 176.83 177.14 2aqj h ILE 495 N 1.02 1.22 -0.72 3.27 2.04 -1.02 -0.21 117.51 123.10 2aqj h ILE 495 Ca 0.22 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.33 2aqj h ILE 495 Cb 0.32 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2aqj h ILE 495 CO -0.00 0.27 0.34 -0.09 0.00 0.00 0.00 178.15 178.66 2aqj h ARG 496 N 0.66 1.03 -0.42 2.37 2.43 -1.02 0.25 114.38 119.68 2aqj h ARG 496 Ca 0.16 -0.14 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2aqj h ARG 496 Cb 0.24 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 2aqj h ARG 496 CO -0.01 0.80 0.07 0.00 -1.51 0.00 0.00 179.97 179.32 2aqj h ARG 497 N 1.02 0.70 -0.59 0.20 3.08 -0.91 -1.59 114.38 116.29 2aqj h ARG 497 Ca 0.25 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2aqj h ARG 497 Cb 0.11 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 2aqj h ARG 497 CO -0.03 0.73 0.32 1.49 -1.07 0.00 0.00 179.97 181.41 2aqj h GLU 498 N 0.56 0.82 -0.64 0.04 4.81 -0.64 -0.37 114.58 119.15 2aqj h GLU 498 Ca 0.13 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 2aqj h GLU 498 Cb 0.37 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 2aqj h GLU 498 CO 0.01 0.63 0.39 0.00 -0.73 0.00 0.00 179.01 179.30 2aqj h ALA 499 N 1.15 0.83 -0.48 2.92 0.00 -0.74 0.46 119.26 123.40 2aqj h ALA 499 Ca 0.21 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 2aqj h ALA 499 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2aqj h ALA 499 CO -0.03 0.13 -0.17 1.49 0.00 0.00 0.00 179.25 180.67 2aqj h GLU 500 N 0.76 0.97 -0.60 0.00 4.57 -1.04 -0.73 114.58 118.51 2aqj h GLU 500 Ca 0.26 -0.39 0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2aqj h GLU 500 Cb 0.04 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 2aqj h GLU 500 CO -0.11 1.06 0.37 -0.09 -1.18 0.00 0.00 179.01 179.07 2aqj h ARG 501 N 0.82 0.72 -0.66 1.92 2.43 -0.50 -2.81 114.38 116.30 2aqj h ARG 501 Ca 0.12 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2aqj h ARG 501 Cb 0.74 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 2aqj h ARG 501 CO 0.06 0.48 0.41 -0.07 -1.51 0.00 0.00 179.97 179.34 2aqj h LEU 502 N 0.74 0.68 -1.01 3.80 3.38 -0.69 -1.29 115.31 120.93 2aqj h LEU 502 Ca 0.23 -0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.39 2aqj h LEU 502 Cb -0.01 -0.15 -0.10 0.00 0.09 0.00 0.00 40.66 40.49 2aqj h LEU 502 CO -0.09 0.48 0.61 -0.09 0.09 0.00 0.00 178.44 179.45 2aqj h ARG 503 N 0.82 0.76 -0.02 1.13 2.43 -0.88 -1.64 114.38 116.98 2aqj h ARG 503 Ca 0.26 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2aqj h ARG 503 Cb 0.00 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2aqj h ARG 503 CO -0.10 0.50 -0.14 0.25 -1.51 0.00 0.00 179.97 178.98 2aqj n THR 504 N -4.75 0.00 -0.05 0.20 -2.24 -1.04 -4.54 114.28 101.86 2aqj n THR 504 Ca 0.23 -0.43 -0.05 0.00 -2.27 0.00 0.00 64.05 61.52 2aqj n THR 504 Cb 0.56 1.30 -0.08 0.00 -2.10 0.00 0.00 70.33 70.00 2aqj n THR 504 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2aqj n SER 505 N 0.55 2.46 -4.78 3.42 7.64 -0.51 -5.02 113.62 117.38 2aqj n SER 505 Ca 0.09 -0.01 -0.38 0.00 1.01 0.00 0.00 58.87 59.59 2aqj n SER 505 Cb 0.41 0.69 -0.06 0.00 -1.01 0.00 0.00 64.21 64.23 2aqj n SER 505 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2aqj s LEU 506 N -4.84 4.46 0.78 -3.43 1.43 -0.67 -4.69 118.68 111.72 2aqj s LEU 506 Ca -0.06 1.70 -0.11 0.00 -1.03 0.00 0.00 54.13 54.63 2aqj s LEU 506 Cb 0.03 -3.66 0.06 0.00 0.03 0.00 0.00 46.19 42.65 2aqj s LEU 506 CO 0.42 0.07 1.09 -2.16 0.23 0.00 0.00 176.35 176.00 2aqj s PRO 507 N -1.66 2.21 0.74 1.29 0.04 -1.26 -4.84 135.00 131.53 2aqj s PRO 507 Ca 0.43 0.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.06 2aqj s PRO 507 Cb -0.20 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.45 2aqj s PRO 507 CO 0.25 -1.55 1.12 0.95 0.04 0.00 0.00 177.00 177.81 2aqj s THR 508 N -3.12 3.04 0.15 1.26 -4.23 -1.26 -1.05 115.64 110.43 2aqj s THR 508 Ca 0.60 0.41 -0.15 0.00 -1.18 0.00 0.00 61.69 61.37 2aqj s THR 508 Cb -0.14 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 70.86 2aqj s THR 508 CO 0.54 -0.38 1.75 -1.13 -0.54 0.00 0.00 174.62 174.87 2aqj h ASN 509 N -0.71 0.57 -0.08 3.99 -1.24 -1.10 0.03 115.58 117.04 2aqj h ASN 509 Ca -0.45 -0.10 0.03 0.00 0.71 0.00 0.00 56.30 56.49 2aqj h ASN 509 Cb 1.25 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 40.12 2aqj h ASN 509 CO 0.51 0.51 -0.13 0.22 -1.29 0.00 0.00 177.43 177.25 2aqj h TYR 510 N 0.59 -0.32 -0.78 0.67 3.20 -1.77 -0.01 116.97 118.54 2aqj h TYR 510 Ca 0.16 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.07 2aqj h TYR 510 Cb 0.07 0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 2aqj h TYR 510 CO -0.02 -0.19 0.50 -0.44 -1.64 0.00 0.00 178.16 176.37 2aqj h ASP 511 N -0.17 0.83 -0.28 -2.11 3.32 -1.85 -0.93 116.42 115.24 2aqj h ASP 511 Ca 0.07 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.04 2aqj h ASP 511 Cb 0.28 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2aqj h ASP 511 CO -0.19 0.58 -0.12 0.22 -1.72 0.00 0.00 179.24 178.02 2aqj h TYR 512 N 0.98 0.65 -0.51 4.55 3.20 -0.62 -0.52 116.97 124.70 2aqj h TYR 512 Ca 0.30 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2aqj h TYR 512 Cb -0.02 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 2aqj h TYR 512 CO -0.03 0.80 0.32 -0.07 -1.64 0.00 0.00 178.16 177.55 2aqj h LEU 513 N 0.31 0.60 -0.90 2.82 3.38 -0.89 -1.03 115.31 119.60 2aqj h LEU 513 Ca 0.06 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2aqj h LEU 513 Cb 0.62 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2aqj h LEU 513 CO 0.04 0.46 0.58 0.03 0.09 0.00 0.00 178.44 179.64 2aqj h ARG 514 N 0.69 1.11 0.00 1.13 3.08 -1.04 0.96 114.38 120.31 2aqj h ARG 514 Ca 0.18 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 60.12 2aqj h ARG 514 Cb -0.04 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 2aqj h ARG 514 CO -0.04 0.73 -0.24 0.66 -1.07 0.00 0.00 179.97 180.01 2aqj h SER 515 N 1.14 0.00 0.38 7.04 4.64 -0.37 -0.94 113.55 125.44 2aqj h SER 515 Ca 0.35 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.49 2aqj h SER 515 Cb -0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 2aqj h SER 515 CO -0.11 0.24 -0.78 -0.07 -0.87 0.00 0.00 176.83 175.24 2aqj h LEU 516 N 0.00 0.39 0.00 5.97 3.38 -0.53 -3.49 115.31 121.03 2aqj h LEU 516 Ca -0.00 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2aqj h LEU 516 Cb 0.53 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2aqj h LEU 516 CO 0.03 1.03 0.00 -1.14 0.09 0.00 0.00 178.44 178.45 2aqj n ARG 517 N -3.78 0.00 0.00 1.13 3.00 0.27 -5.06 116.66 112.22 2aqj n ARG 517 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 2aqj n ARG 517 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.20 2aqj n ARG 517 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38