#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqj n GLU 22 N 0.00 0.00 -3.40 5.55 2.13 -1.26 -4.10 120.64 119.55 1aqj n GLU 22 Ca 0.00 0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.66 1aqj n GLU 22 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 1aqj n GLU 22 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1aqj s THR 23 N 0.00 -0.43 0.49 6.31 2.01 -1.26 -5.02 115.64 117.74 1aqj s THR 23 Ca 0.00 -0.36 -0.22 0.00 0.31 0.00 0.00 61.69 61.42 1aqj s THR 23 Cb 0.00 -0.91 -0.09 0.00 0.01 0.00 0.00 72.50 71.51 1aqj s THR 23 CO 0.00 -0.37 0.97 -2.65 -0.69 0.00 0.00 174.62 171.88 1aqj n PRO 24 N 5.32 1.17 -0.10 4.92 -0.02 -1.26 -4.76 135.00 140.27 1aqj n PRO 24 Ca -0.03 0.43 -0.06 0.00 -2.02 0.00 0.00 63.50 61.82 1aqj n PRO 24 Cb 0.48 -2.07 -0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1aqj n PRO 24 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1aqj h PRO 25 N 1.13 -0.16 -0.77 0.52 0.11 -2.00 -1.27 132.00 129.55 1aqj h PRO 25 Ca -0.46 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1aqj h PRO 25 Cb 1.35 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.45 1aqj h PRO 25 CO 0.54 -0.11 0.50 1.05 -0.21 0.00 0.00 178.00 179.78 1aqj h GLU 26 N -0.17 0.86 -0.17 1.05 9.09 -1.98 0.22 114.58 123.47 1aqj h GLU 26 Ca 0.18 -0.05 -0.02 0.00 0.05 0.00 0.00 59.36 59.51 1aqj h GLU 26 Cb 0.45 -0.19 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 1aqj h GLU 26 CO -0.46 0.57 0.02 0.28 0.05 0.00 0.00 179.01 179.47 1aqj h VAL 27 N 0.88 1.23 -0.68 -1.06 2.07 -1.66 0.47 116.25 117.51 1aqj h VAL 27 Ca 0.32 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 67.13 1aqj h VAL 27 Cb 0.14 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1aqj h VAL 27 CO -0.10 0.23 0.40 0.58 0.02 0.00 0.00 177.57 178.70 1aqj h VAL 28 N 0.07 1.02 -0.58 2.57 2.07 -0.40 -0.13 116.25 120.87 1aqj h VAL 28 Ca 0.05 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1aqj h VAL 28 Cb 0.33 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 1aqj h VAL 28 CO 0.00 0.14 0.28 0.44 0.02 0.00 0.00 177.57 178.46 1aqj h ASP 29 N 0.76 0.73 -0.07 0.57 3.32 -0.23 -1.40 116.42 120.09 1aqj h ASP 29 Ca 0.29 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 1aqj h ASP 29 Cb 0.12 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 1aqj h ASP 29 CO -0.15 0.62 -0.00 0.15 -1.72 0.00 0.00 179.24 178.13 1aqj h PHE 30 N 0.81 0.13 -0.74 4.55 3.57 0.71 -2.79 116.94 123.18 1aqj h PHE 30 Ca 0.20 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1aqj h PHE 30 Cb 0.08 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1aqj h PHE 30 CO 0.01 0.41 0.30 0.52 -2.23 0.00 0.00 178.31 177.31 1aqj h MET 31 N -0.18 1.10 0.00 1.11 2.86 -0.81 -2.53 114.93 116.49 1aqj h MET 31 Ca 0.02 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.42 1aqj h MET 31 Cb 0.36 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 1aqj h MET 31 CO 0.00 0.90 -0.16 0.28 1.06 0.00 0.00 176.91 179.00 1aqj h VAL 32 N 1.06 0.64 0.00 -2.22 2.07 -1.30 -2.06 116.25 114.44 1aqj h VAL 32 Ca 0.25 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1aqj h VAL 32 Cb 0.21 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1aqj h VAL 32 CO -0.02 0.16 0.00 0.77 0.02 0.00 0.00 177.57 178.50 1aqj h SER 33 N 0.00 0.00 0.20 0.57 4.64 -1.16 -2.88 113.55 114.91 1aqj h SER 33 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1aqj h SER 33 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1aqj h SER 33 CO 0.02 0.00 -1.31 0.18 -0.87 0.00 0.00 176.83 174.85 1aqj n LEU 34 N -2.40 0.54 -4.77 5.97 4.77 -0.83 -4.95 117.00 115.33 1aqj n LEU 34 Ca 0.05 -0.14 -0.38 0.00 -0.03 0.00 0.00 56.01 55.50 1aqj n LEU 34 Cb 0.41 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 1aqj n LEU 34 CO 0.29 0.08 0.76 0.00 -1.33 0.00 0.00 177.39 177.19 1aqj s ALA 35 N -3.24 3.24 -0.15 -1.18 0.00 -0.86 -5.06 121.76 114.51 1aqj s ALA 35 Ca 0.01 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.62 1aqj s ALA 35 Cb 0.15 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 20.01 1aqj s ALA 35 CO 0.85 -0.17 0.40 -2.00 0.00 0.00 0.00 175.76 174.85 1aqj s GLU 36 N -1.95 0.47 -0.18 0.00 2.12 -1.26 -5.00 118.70 112.91 1aqj s GLU 36 Ca 0.51 0.56 -0.20 0.00 0.36 0.00 0.00 54.97 56.21 1aqj s GLU 36 Cb -0.27 0.23 0.05 0.00 0.26 0.00 0.00 34.13 34.40 1aqj s GLU 36 CO 0.34 -0.06 0.54 0.00 -0.54 0.00 0.00 175.26 175.54 1aqj s ALA 37 N 0.23 -1.34 0.45 6.30 0.00 -1.26 -4.75 121.76 121.39 1aqj s ALA 37 Ca -0.00 1.42 -0.24 0.00 0.00 0.00 0.00 51.96 53.14 1aqj s ALA 37 Cb -0.03 -0.74 -0.08 0.00 0.00 0.00 0.00 23.12 22.28 1aqj s ALA 37 CO 0.00 -0.27 1.20 -1.25 0.00 0.00 0.00 175.76 175.45 1aqj s PRO 38 N 0.04 3.79 0.10 0.00 0.04 -1.26 -4.90 135.00 132.81 1aqj s PRO 38 Ca -0.02 1.88 -0.32 0.00 0.04 0.00 0.00 61.00 62.58 1aqj s PRO 38 Cb -0.04 -2.50 -0.12 0.00 0.04 0.00 0.00 34.50 31.89 1aqj s PRO 38 CO 0.02 -0.55 1.79 -2.13 0.04 0.00 0.00 177.00 176.17 1aqj n ARG 39 N -0.33 2.56 0.00 4.56 0.63 -1.26 0.18 116.66 123.00 1aqj n ARG 39 Ca 0.06 0.93 0.00 0.00 -0.92 0.00 0.00 57.85 57.93 1aqj n ARG 39 Cb 0.47 -2.79 0.00 0.00 0.45 0.00 0.00 32.46 30.59 1aqj n ARG 39 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aqj n GLY 40 N 4.08 1.46 3.70 5.14 0.00 0.54 -5.02 105.19 115.08 1aqj n GLY 40 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1aqj n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aqj s GLY 41 N -2.37 1.67 -0.16 -0.02 0.00 0.13 -4.32 107.32 102.25 1aqj s GLY 41 Ca 0.00 0.38 -0.17 0.00 0.00 0.00 0.00 44.72 44.94 1aqj s GLY 41 CO 0.00 0.80 0.42 0.50 0.00 0.00 0.00 173.10 174.83 1aqj s ARG 42 N -4.75 4.27 -0.13 2.90 0.52 -1.26 -1.35 118.95 119.15 1aqj s ARG 42 Ca 0.65 0.31 -0.01 0.00 -0.52 0.00 0.00 55.73 56.16 1aqj s ARG 42 Cb -0.21 -3.47 -0.02 0.00 0.52 0.00 0.00 34.95 31.77 1aqj s ARG 42 CO 0.58 0.10 -0.10 0.08 0.02 0.00 0.00 175.30 175.97 1aqj s VAL 43 N 0.86 3.30 -0.00 3.52 1.01 0.23 -1.97 120.40 127.35 1aqj s VAL 43 Ca 0.22 -0.58 0.06 0.00 0.00 0.00 0.00 61.98 61.68 1aqj s VAL 43 Cb -0.15 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 1aqj s VAL 43 CO 0.08 0.52 -0.18 -0.22 0.00 0.00 0.00 175.10 175.30 1aqj s LEU 44 N 0.26 2.06 -0.29 3.92 2.96 -0.26 -1.03 118.68 126.31 1aqj s LEU 44 Ca -0.07 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1aqj s LEU 44 Cb -0.15 -0.90 0.09 0.00 0.50 0.00 0.00 46.19 45.72 1aqj s LEU 44 CO 0.05 0.20 0.05 -0.70 -1.32 0.00 0.00 176.35 174.63 1aqj s GLU 45 N -0.58 1.06 0.29 1.98 2.12 -0.86 -1.26 118.70 121.45 1aqj s GLU 45 Ca 0.07 -1.17 -0.29 0.00 0.36 0.00 0.00 54.97 53.93 1aqj s GLU 45 Cb -0.07 -2.38 -0.10 0.00 0.26 0.00 0.00 34.13 31.84 1aqj s GLU 45 CO -0.00 -0.87 1.11 -2.14 -0.54 0.00 0.00 175.26 172.82 1aqj s PRO 46 N 1.44 4.60 -1.45 4.30 0.02 -1.25 -2.15 135.00 140.51 1aqj s PRO 46 Ca 0.06 1.81 -0.11 0.00 0.02 0.00 0.00 61.00 62.78 1aqj s PRO 46 Cb -0.18 -3.15 0.05 0.00 0.02 0.00 0.00 34.50 31.24 1aqj s PRO 46 CO -0.16 0.17 1.06 0.00 -0.33 0.00 0.00 177.00 177.75 1aqj n ALA 47 N 1.10 -1.33 0.09 -1.55 0.00 0.37 -4.54 120.51 114.65 1aqj n ALA 47 Ca -0.01 0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.70 1aqj n ALA 47 Cb 0.45 -4.83 0.28 0.00 0.00 0.00 0.00 19.45 15.35 1aqj n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1aqj n ALA 49 N -2.48 0.00 -0.14 0.00 0.00 -1.26 -0.61 120.51 116.02 1aqj n ALA 49 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1aqj n ALA 49 Cb 0.38 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.08 1aqj n ALA 49 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1aqj n HIS 50 N 0.00 0.72 -2.73 0.00 1.44 -1.24 -0.40 115.22 113.02 1aqj n HIS 50 Ca 0.00 -0.42 -0.08 0.00 -2.01 0.00 0.00 57.72 55.21 1aqj n HIS 50 Cb 0.00 -0.01 0.04 0.00 0.12 0.00 0.00 29.99 30.14 1aqj n HIS 50 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1aqj n GLY 51 N 1.33 0.11 0.35 -1.39 0.00 0.22 -4.57 105.19 101.24 1aqj n GLY 51 Ca 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 1aqj n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1aqj h PRO 52 N -0.95 1.13 -0.06 1.61 0.13 -1.95 -1.95 132.00 129.96 1aqj h PRO 52 Ca -0.27 -0.07 -0.22 0.00 -0.87 0.00 0.00 66.00 64.58 1aqj h PRO 52 Cb 1.16 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1aqj h PRO 52 CO 0.24 0.74 -0.85 0.74 -0.23 0.00 0.00 178.00 178.64 1aqj h PHE 53 N 1.16 0.74 -0.33 1.56 0.04 -1.93 -2.38 116.94 115.81 1aqj h PHE 53 Ca 0.37 -0.36 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 1aqj h PHE 53 Cb 0.02 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.06 1aqj h PHE 53 CO -0.01 1.17 0.20 -0.07 -0.60 0.00 0.00 178.31 178.99 1aqj h LEU 54 N 0.33 0.39 -0.14 1.54 4.07 -1.89 -0.29 115.31 119.32 1aqj h LEU 54 Ca -0.06 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 1aqj h LEU 54 Cb 1.46 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 43.10 1aqj h LEU 54 CO 0.16 0.32 0.03 0.03 -1.08 0.00 0.00 178.44 177.90 1aqj h ARG 55 N 0.42 0.23 -0.89 1.13 3.08 -1.41 -2.21 114.38 114.74 1aqj h ARG 55 Ca 0.12 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1aqj h ARG 55 Cb 0.01 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.98 1aqj h ARG 55 CO -0.02 0.40 0.59 0.00 -1.07 0.00 0.00 179.97 179.87 1aqj h ALA 56 N 0.82 1.14 -0.22 0.04 0.00 -1.27 -0.47 119.26 119.30 1aqj h ALA 56 Ca 0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1aqj h ALA 56 Cb 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1aqj h ALA 56 CO 0.00 0.51 0.02 0.35 0.00 0.00 0.00 179.25 180.13 1aqj h PHE 57 N 1.19 0.40 -0.34 0.00 3.57 -1.00 -2.28 116.94 118.48 1aqj h PHE 57 Ca 0.33 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1aqj h PHE 57 Cb -0.11 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 1aqj h PHE 57 CO -0.01 0.52 0.20 -0.09 -2.23 0.00 0.00 178.31 176.70 1aqj h ARG 58 N 0.16 0.40 0.00 1.11 2.43 -1.15 0.95 114.38 118.28 1aqj h ARG 58 Ca 0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1aqj h ARG 58 Cb 0.35 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1aqj h ARG 58 CO 0.01 0.26 0.00 0.39 -1.51 0.00 0.00 179.97 179.12 1aqj n GLU 59 N -4.89 0.21 0.00 0.20 1.02 -0.21 -1.21 120.64 115.76 1aqj n GLU 59 Ca -0.00 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1aqj n GLU 59 Cb 0.05 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1aqj n GLU 59 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aqj n ALA 60 N -1.24 1.99 0.68 0.62 0.00 -0.30 -4.82 120.51 117.44 1aqj n ALA 60 Ca 0.06 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.58 1aqj n ALA 60 Cb 0.09 0.45 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1aqj n ALA 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1aqj n HIS 61 N -2.39 0.00 0.00 0.00 8.25 0.32 -5.08 115.22 116.31 1aqj n HIS 61 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1aqj n HIS 61 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1aqj n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1aqj n GLY 62 N 1.19 -0.82 0.08 -1.41 0.00 -0.35 -4.82 105.19 99.06 1aqj n GLY 62 Ca 0.05 -2.21 0.06 0.00 0.00 0.00 0.00 46.02 43.92 1aqj n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1aqj n THR 63 N -0.14 0.00 -0.68 2.61 -2.24 -1.26 -4.26 114.28 108.31 1aqj n THR 63 Ca 0.00 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.41 1aqj n THR 63 Cb 0.00 1.04 -0.10 0.00 -2.10 0.00 0.00 70.33 69.17 1aqj n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1aqj n GLY 64 N 1.19 2.42 3.11 3.38 0.00 -1.26 -4.79 105.19 109.23 1aqj n GLY 64 Ca 0.03 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.16 1aqj n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1aqj s TYR 65 N 1.85 0.54 -0.44 1.61 2.02 -1.26 -0.34 117.35 121.33 1aqj s TYR 65 Ca 0.44 -1.06 -0.16 0.00 -0.37 0.00 0.00 57.07 55.92 1aqj s TYR 65 Cb 0.20 -0.38 0.04 0.00 -0.40 0.00 0.00 41.96 41.42 1aqj s TYR 65 CO -0.00 -0.41 0.39 0.50 -1.57 0.00 0.00 175.55 174.45 1aqj s ARG 66 N -3.93 3.01 -0.10 -0.62 3.00 -0.46 -4.96 118.95 114.89 1aqj s ARG 66 Ca 0.09 -1.05 -0.16 0.00 -1.00 0.00 0.00 55.73 53.62 1aqj s ARG 66 Cb 0.08 -4.03 -0.05 0.00 0.00 0.00 0.00 34.95 30.95 1aqj s ARG 66 CO -0.08 -0.90 0.40 -0.06 0.00 0.00 0.00 175.30 174.65 1aqj s PHE 67 N 1.86 3.56 0.02 5.12 0.08 -1.26 -0.60 117.98 126.76 1aqj s PHE 67 Ca 0.07 0.82 0.02 0.00 0.12 0.00 0.00 56.93 57.97 1aqj s PHE 67 Cb -0.20 -2.40 -0.02 0.00 -0.57 0.00 0.00 43.02 39.83 1aqj s PHE 67 CO 0.10 0.33 -0.07 0.08 -0.10 0.00 0.00 175.22 175.56 1aqj s VAL 68 N 0.07 0.54 -0.02 -0.44 1.01 -0.19 -0.65 120.40 120.71 1aqj s VAL 68 Ca 0.22 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 1aqj s VAL 68 Cb -0.15 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1aqj s VAL 68 CO 0.09 -0.13 0.03 -0.83 0.00 0.00 0.00 175.10 174.25 1aqj s GLY 69 N -0.92 0.14 -0.24 4.51 0.00 0.62 -2.02 107.32 109.41 1aqj s GLY 69 Ca -0.04 0.27 -0.04 0.00 0.00 0.00 0.00 44.72 44.91 1aqj s GLY 69 CO 0.00 0.74 -0.02 0.14 0.00 0.00 0.00 173.10 173.96 1aqj s VAL 70 N 1.16 3.39 0.02 1.40 1.01 -0.91 0.10 120.40 126.57 1aqj s VAL 70 Ca -0.08 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.27 1aqj s VAL 70 Cb -0.13 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1aqj s VAL 70 CO -0.03 0.30 -0.08 -0.70 0.00 0.00 0.00 175.10 174.59 1aqj s GLU 71 N 1.45 0.60 0.06 2.72 2.56 -0.17 0.14 118.70 126.05 1aqj s GLU 71 Ca 0.04 -0.52 0.20 0.00 0.00 0.00 0.00 54.97 54.68 1aqj s GLU 71 Cb -0.15 -0.51 -0.15 0.00 2.00 0.00 0.00 34.13 35.32 1aqj s GLU 71 CO -0.02 0.12 0.75 1.51 -0.56 0.00 0.00 175.26 177.06 1aqj n ILE 72 N 2.19 0.77 -3.68 -3.70 3.06 -1.12 -1.09 119.36 115.79 1aqj n ILE 72 Ca -0.18 -0.62 -0.37 0.00 -2.50 0.00 0.00 62.75 59.08 1aqj n ILE 72 Cb 0.56 -0.43 -0.12 0.00 0.54 0.00 0.00 39.64 40.19 1aqj n ILE 72 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1aqj s ASP 73 N -5.35 5.54 0.54 9.51 2.15 -1.26 -4.70 116.67 123.10 1aqj s ASP 73 Ca -0.04 -0.13 0.21 0.00 0.43 0.00 0.00 52.55 53.02 1aqj s ASP 73 Cb 0.10 -2.01 1.42 0.00 -0.30 0.00 0.00 42.92 42.13 1aqj s ASP 73 CO 0.83 -0.05 2.14 -0.65 -0.17 0.00 0.00 175.17 177.27 1aqj h PRO 74 N 8.30 0.00 0.00 4.34 0.11 -1.93 -0.54 132.00 142.27 1aqj h PRO 74 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1aqj h PRO 74 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1aqj h PRO 74 CO 0.57 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.99 1aqj n LYS 75 N -4.33 0.17 -0.08 1.05 4.76 -1.26 -3.85 118.16 114.62 1aqj n LYS 75 Ca -0.01 0.15 -0.08 0.00 -2.87 0.00 0.00 58.31 55.51 1aqj n LYS 75 Cb 0.18 -1.70 -0.12 0.00 -1.84 0.00 0.00 35.03 31.55 1aqj n LYS 75 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1aqj n ALA 76 N -1.68 1.61 -1.82 7.82 0.00 -0.31 -4.91 120.51 121.22 1aqj n ALA 76 Ca 0.06 -1.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.06 1aqj n ALA 76 Cb 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.73 1aqj n ALA 76 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1aqj s LEU 77 N -5.20 3.46 -0.44 0.00 2.96 -0.64 -3.60 118.68 115.21 1aqj s LEU 77 Ca -0.09 1.43 0.05 0.00 -0.22 0.00 0.00 54.13 55.30 1aqj s LEU 77 Cb 0.05 -3.36 0.17 0.00 0.50 0.00 0.00 46.19 43.55 1aqj s LEU 77 CO 0.63 -1.95 0.45 -0.62 -1.32 0.00 0.00 176.35 173.53 1aqj s ASP 78 N 7.58 0.62 0.21 3.68 2.15 0.47 -4.97 116.67 126.41 1aqj s ASP 78 Ca 0.88 -2.61 0.07 0.00 0.43 0.00 0.00 52.55 51.32 1aqj s ASP 78 Cb -0.25 0.27 -0.04 0.00 -0.30 0.00 0.00 42.92 42.60 1aqj s ASP 78 CO 0.33 -0.14 0.11 -0.76 -0.17 0.00 0.00 175.17 174.53 1aqj s LEU 79 N 0.37 3.61 0.81 -1.34 1.43 -1.26 -4.28 118.68 118.02 1aqj s LEU 79 Ca 0.31 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.99 1aqj s LEU 79 Cb 0.01 -2.19 0.08 0.00 0.03 0.00 0.00 46.19 44.12 1aqj s LEU 79 CO -0.15 0.03 1.09 -2.84 0.23 0.00 0.00 176.35 174.71 1aqj s PRO 80 N -3.40 1.98 0.59 1.29 0.02 -1.26 -4.94 135.00 129.27 1aqj s PRO 80 Ca 0.31 0.83 0.29 0.00 0.02 0.00 0.00 61.00 62.44 1aqj s PRO 80 Cb -0.09 -1.89 1.69 0.00 0.02 0.00 0.00 34.50 34.24 1aqj s PRO 80 CO 0.22 -1.74 2.15 -1.35 -0.33 0.00 0.00 177.00 175.94 1aqj h PRO 81 N -1.19 0.00 -0.00 5.54 0.11 -2.04 -1.97 132.00 132.45 1aqj h PRO 81 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1aqj h PRO 81 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1aqj h PRO 81 CO 0.56 0.00 -0.02 -2.67 -0.21 0.00 0.00 178.00 175.66 1aqj n TRP 82 N -3.84 0.00 -4.84 0.65 4.27 -1.26 -4.82 117.44 107.59 1aqj n TRP 82 Ca 0.00 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.28 1aqj n TRP 82 Cb 0.25 -0.35 -0.13 0.00 -1.36 0.00 0.00 31.31 29.72 1aqj n TRP 82 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1aqj s ALA 83 N -2.72 2.72 -0.37 -1.67 0.00 -0.74 -4.49 121.76 114.48 1aqj s ALA 83 Ca 0.23 -0.96 -0.24 0.00 0.00 0.00 0.00 51.96 50.99 1aqj s ALA 83 Cb 0.20 -1.02 0.01 0.00 0.00 0.00 0.00 23.12 22.31 1aqj s ALA 83 CO 0.49 0.55 0.81 -2.00 0.00 0.00 0.00 175.76 175.61 1aqj s GLU 84 N -0.71 3.76 -0.07 0.00 2.12 0.17 -4.78 118.70 119.18 1aqj s GLU 84 Ca 0.11 0.35 -0.14 0.00 0.36 0.00 0.00 54.97 55.64 1aqj s GLU 84 Cb -0.11 -3.81 -0.05 0.00 0.26 0.00 0.00 34.13 30.42 1aqj s GLU 84 CO 0.01 -0.88 0.36 0.20 -0.54 0.00 0.00 175.26 174.41 1aqj s GLY 85 N 1.86 2.36 -0.09 -1.50 0.00 -1.26 -0.27 107.32 108.42 1aqj s GLY 85 Ca 0.33 -0.31 0.03 0.00 0.00 0.00 0.00 44.72 44.76 1aqj s GLY 85 CO 0.17 0.27 -0.18 -0.42 0.00 0.00 0.00 173.10 172.95 1aqj s ILE 86 N -0.39 1.61 -0.57 0.90 1.01 0.29 -4.91 121.20 119.13 1aqj s ILE 86 Ca 0.21 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.94 1aqj s ILE 86 Cb -0.15 -1.43 0.10 0.00 0.01 0.00 0.00 42.46 40.99 1aqj s ILE 86 CO 0.09 0.46 0.65 -0.22 0.00 0.00 0.00 174.94 175.93 1aqj s LEU 87 N 0.64 5.51 0.30 2.97 2.96 -1.25 -1.00 118.68 128.81 1aqj s LEU 87 Ca -0.14 -1.45 -0.18 0.00 -0.22 0.00 0.00 54.13 52.14 1aqj s LEU 87 Cb -0.16 -2.29 0.06 0.00 0.50 0.00 0.00 46.19 44.30 1aqj s LEU 87 CO 0.04 -1.04 0.89 0.00 -1.32 0.00 0.00 176.35 174.92 1aqj s ALA 88 N 2.46 -1.09 -0.41 5.97 0.00 -0.25 -4.95 121.76 123.48 1aqj s ALA 88 Ca 0.10 -0.57 -0.17 0.00 0.00 0.00 0.00 51.96 51.32 1aqj s ALA 88 Cb -0.25 0.71 0.02 0.00 0.00 0.00 0.00 23.12 23.60 1aqj s ALA 88 CO 0.06 -1.02 0.40 0.34 0.00 0.00 0.00 175.76 175.54 1aqj s ASP 89 N -3.19 6.18 0.26 0.00 -1.08 -1.26 -2.77 116.67 114.80 1aqj s ASP 89 Ca 0.18 -0.68 -0.04 0.00 -0.52 0.00 0.00 52.55 51.49 1aqj s ASP 89 Cb -0.04 -2.21 0.54 0.00 -1.46 0.00 0.00 42.92 39.75 1aqj s ASP 89 CO 0.09 -0.53 1.64 0.15 0.52 0.00 0.00 175.17 177.03 1aqj h PHE 90 N 8.68 0.07 -0.26 -5.34 3.57 -1.93 0.77 116.94 122.51 1aqj h PHE 90 Ca -0.27 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1aqj h PHE 90 Cb 1.12 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1aqj h PHE 90 CO 0.61 -0.24 0.16 -0.07 -2.23 0.00 0.00 178.31 176.55 1aqj h LEU 91 N 0.13 0.30 0.00 0.59 3.38 -1.95 -2.30 115.31 115.47 1aqj h LEU 91 Ca 0.47 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1aqj h LEU 91 Cb 0.87 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1aqj h LEU 91 CO -0.68 0.23 -1.31 0.18 0.09 0.00 0.00 178.44 176.95 1aqj n LEU 92 N -4.49 0.54 -4.77 1.67 4.77 0.98 -4.96 117.00 110.74 1aqj n LEU 92 Ca 0.01 -0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.46 1aqj n LEU 92 Cb 0.08 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1aqj n LEU 92 CO 0.35 0.07 1.13 0.86 -1.33 0.00 0.00 177.39 178.47 1aqj s TRP 93 N -3.25 2.78 -0.39 -1.77 -0.00 0.23 -4.97 118.94 111.57 1aqj s TRP 93 Ca 0.01 1.10 0.02 0.00 -0.00 0.00 0.00 56.10 57.23 1aqj s TRP 93 Cb 0.14 -3.94 0.15 0.00 -0.00 0.00 0.00 33.47 29.83 1aqj s TRP 93 CO 0.85 -2.88 0.28 -2.00 -0.00 0.00 0.00 176.95 173.19 1aqj s GLU 94 N -1.39 0.77 0.92 5.86 2.56 -1.26 -4.97 118.70 121.19 1aqj s GLU 94 Ca 0.56 -1.75 -0.12 0.00 0.00 0.00 0.00 54.97 53.65 1aqj s GLU 94 Cb -0.45 -1.42 0.14 0.00 2.00 0.00 0.00 34.13 34.40 1aqj s GLU 94 CO 0.55 -1.29 1.11 -1.25 -0.56 0.00 0.00 175.26 173.81 1aqj s PRO 95 N 0.53 1.04 -0.45 4.30 0.04 -1.26 -4.96 135.00 134.24 1aqj s PRO 95 Ca 0.25 0.48 0.04 0.00 0.04 0.00 0.00 61.00 61.81 1aqj s PRO 95 Cb -0.10 -1.81 0.57 0.00 0.04 0.00 0.00 34.50 33.20 1aqj s PRO 95 CO -0.09 -2.31 1.79 0.41 0.04 0.00 0.00 177.00 176.84 1aqj n GLY 96 N -1.67 4.99 3.36 0.56 0.00 -1.26 -4.95 105.19 106.21 1aqj n GLY 96 Ca 0.06 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.53 1aqj n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1aqj s GLU 97 N -3.41 1.15 0.21 1.61 -1.05 -1.26 -5.17 118.70 110.78 1aqj s GLU 97 Ca 0.55 -0.97 0.10 0.00 -0.15 0.00 0.00 54.97 54.50 1aqj s GLU 97 Cb 0.46 0.43 -0.04 0.00 -0.44 0.00 0.00 34.13 34.54 1aqj s GLU 97 CO 0.05 -0.44 -0.09 0.00 0.95 0.00 0.00 175.26 175.73 1aqj s ALA 98 N -3.89 2.96 0.32 -0.84 0.00 -1.26 -4.98 121.76 114.06 1aqj s ALA 98 Ca 0.10 -1.58 0.08 0.00 0.00 0.00 0.00 51.96 50.57 1aqj s ALA 98 Cb 0.02 -0.67 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1aqj s ALA 98 CO -0.05 0.39 0.11 -0.06 0.00 0.00 0.00 175.76 176.15 1aqj s PHE 99 N -1.96 2.72 -0.14 0.00 0.40 0.67 -4.83 117.98 114.86 1aqj s PHE 99 Ca 0.27 -0.33 0.15 0.00 -0.60 0.00 0.00 56.93 56.42 1aqj s PHE 99 Cb -0.08 -1.52 -0.24 0.00 0.51 0.00 0.00 43.02 41.70 1aqj s PHE 99 CO 0.16 0.42 0.30 -0.25 0.70 0.00 0.00 175.22 176.55 1aqj n ASP 100 N -1.09 0.48 -3.76 1.36 9.92 -0.83 -2.02 116.55 120.61 1aqj n ASP 100 Ca -0.04 0.17 -0.13 0.00 -0.53 0.00 0.00 54.79 54.26 1aqj n ASP 100 Cb 0.61 0.47 -0.11 0.00 -0.64 0.00 0.00 41.12 41.44 1aqj n ASP 100 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1aqj s LEU 101 N -5.81 0.80 -0.11 0.64 2.96 -1.00 -1.13 118.68 115.03 1aqj s LEU 101 Ca -0.09 0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1aqj s LEU 101 Cb 0.07 0.98 0.03 0.00 0.50 0.00 0.00 46.19 47.77 1aqj s LEU 101 CO 0.82 -0.11 -0.02 -0.63 -1.32 0.00 0.00 176.35 175.09 1aqj s ILE 102 N 0.34 0.63 0.20 6.68 1.01 -0.29 -1.11 121.20 128.66 1aqj s ILE 102 Ca -0.02 -0.16 0.10 0.00 0.00 0.00 0.00 60.65 60.58 1aqj s ILE 102 Cb -0.03 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1aqj s ILE 102 CO -0.01 0.19 -0.16 -0.76 0.00 0.00 0.00 174.94 174.20 1aqj s LEU 103 N 1.86 2.72 0.00 2.97 1.43 -0.39 -0.76 118.68 126.51 1aqj s LEU 103 Ca 0.04 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1aqj s LEU 103 Cb -0.13 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.68 1aqj s LEU 103 CO -0.07 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.22 1aqj n GLY 104 N 0.02 1.14 2.76 -3.19 0.00 -0.90 -3.87 105.19 101.15 1aqj n GLY 104 Ca -0.11 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1aqj n GLY 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1aqj s ASN 105 N 0.00 3.96 0.70 1.61 3.04 -1.26 -2.86 114.94 120.13 1aqj s ASN 105 Ca 0.00 -2.14 -0.13 0.00 0.04 0.00 0.00 52.86 50.63 1aqj s ASN 105 Cb 0.00 -1.04 0.02 0.00 -1.54 0.00 0.00 41.25 38.69 1aqj s ASN 105 CO 0.00 -0.35 1.10 -2.16 -3.04 0.00 0.00 177.10 172.66 1aqj s PRO 106 N 0.97 2.59 0.38 0.43 0.04 -1.26 -4.92 135.00 133.22 1aqj s PRO 106 Ca 0.13 1.31 -0.28 0.00 0.04 0.00 0.00 61.00 62.21 1aqj s PRO 106 Cb -0.21 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1aqj s PRO 106 CO -0.12 -1.40 1.39 -2.14 0.04 0.00 0.00 177.00 174.77 1aqj s PRO 107 N -4.40 4.10 -0.21 0.56 0.02 -1.26 -4.89 135.00 128.92 1aqj s PRO 107 Ca 0.65 2.37 -0.05 0.00 0.02 0.00 0.00 61.00 63.98 1aqj s PRO 107 Cb -0.19 -2.92 -0.02 0.00 0.02 0.00 0.00 34.50 31.39 1aqj s PRO 107 CO 0.47 -0.46 0.01 0.71 -0.33 0.00 0.00 177.00 177.40 1aqj s TYR 108 N -1.16 3.04 -5.00 6.54 2.02 -1.26 -2.02 117.35 119.51 1aqj s TYR 108 Ca 0.53 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 1aqj s TYR 108 Cb -0.42 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.03 1aqj s TYR 108 CO 0.56 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.67 1aqj n GLY 109 N 4.40 -0.28 0.00 0.71 0.00 -1.26 -4.95 105.19 103.81 1aqj n GLY 109 Ca -0.17 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1aqj n GLY 109 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1aqj n ILE 110 N 4.31 0.00 -0.79 -0.61 2.08 -1.26 0.84 119.36 123.93 1aqj n ILE 110 Ca 0.00 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.37 1aqj n ILE 110 Cb 0.00 -0.30 -0.02 0.00 -0.75 0.00 0.00 39.64 38.57 1aqj n ILE 110 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 1aqj n VAL 111 N -0.28 0.00 -1.79 1.39 0.24 -1.26 -4.89 118.33 111.74 1aqj n VAL 111 Ca 0.00 0.15 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 1aqj n VAL 111 Cb 0.00 -0.31 0.00 0.00 -1.47 0.00 0.00 33.84 32.06 1aqj n VAL 111 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1aqj n PHE 122 N -2.67 -1.47 0.44 6.34 3.01 -1.26 -4.85 117.46 117.01 1aqj n PHE 122 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 1aqj n PHE 122 Cb 0.56 -0.90 0.00 0.00 -0.01 0.00 0.00 39.48 39.13 1aqj n PHE 122 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1aqj n LYS 123 N -1.75 0.69 0.15 -1.08 4.01 -1.26 -3.07 118.16 115.85 1aqj n LYS 123 Ca 0.00 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 57.83 1aqj n LYS 123 Cb 0.28 -1.16 0.12 0.00 -0.51 0.00 0.00 35.03 33.77 1aqj n LYS 123 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1aqj h ALA 124 N 1.99 0.75 -0.74 7.82 0.00 -2.02 -2.94 119.26 124.12 1aqj h ALA 124 Ca 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1aqj h ALA 124 Cb 0.69 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1aqj h ALA 124 CO 0.00 0.60 0.31 -0.24 0.00 0.00 0.00 179.25 179.92 1aqj h VAL 125 N 0.00 1.25 -0.71 0.00 3.04 -1.97 -0.63 116.25 117.23 1aqj h VAL 125 Ca -0.00 -0.77 0.02 0.00 -1.01 0.00 0.00 66.70 64.93 1aqj h VAL 125 Cb 1.25 0.37 -0.04 0.00 -2.01 0.00 0.00 31.29 30.87 1aqj h VAL 125 CO 0.06 0.31 0.46 0.50 -1.01 0.00 0.00 177.57 177.90 1aqj h LYS 126 N 1.06 0.90 -0.63 4.17 1.63 -1.79 0.93 116.57 122.84 1aqj h LYS 126 Ca 0.25 -0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.90 1aqj h LYS 126 Cb 0.20 -0.20 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1aqj h LYS 126 CO -0.02 0.60 0.02 -0.44 -3.45 0.00 0.00 179.45 176.16 1aqj h ASP 127 N 0.93 1.07 -0.63 4.20 3.32 -1.51 -1.85 116.42 121.95 1aqj h ASP 127 Ca 0.27 -0.30 0.06 0.00 0.02 0.00 0.00 57.03 57.08 1aqj h ASP 127 Cb -0.06 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.15 1aqj h ASP 127 CO -0.08 1.10 0.34 -0.07 -1.72 0.00 0.00 179.24 178.81 1aqj h LEU 128 N 1.00 0.49 0.48 1.55 3.38 0.25 -0.24 115.31 122.22 1aqj h LEU 128 Ca 0.18 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1aqj h LEU 128 Cb 0.54 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1aqj h LEU 128 CO 0.03 0.32 -0.23 1.88 0.09 0.00 0.00 178.44 180.52 1aqj h TYR 129 N 0.63 -0.60 -0.65 1.13 0.05 -0.54 -1.26 116.97 115.73 1aqj h TYR 129 Ca 0.28 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 59.19 1aqj h TYR 129 Cb 0.19 0.20 -0.11 0.00 1.01 0.00 0.00 36.73 38.02 1aqj h TYR 129 CO -0.09 -0.34 0.02 0.87 -1.05 0.00 0.00 178.16 177.58 1aqj h LYS 130 N -0.72 0.13 -0.31 4.88 1.79 -1.03 0.33 116.57 121.64 1aqj h LYS 130 Ca -0.07 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.40 1aqj h LYS 130 Cb 0.53 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 1aqj h LYS 130 CO 0.11 0.09 0.19 0.87 -1.08 0.00 0.00 179.45 179.63 1aqj h LYS 131 N 0.13 0.38 0.00 3.15 1.79 -0.83 -3.12 116.57 118.08 1aqj h LYS 131 Ca 0.35 -0.02 -0.11 0.00 -2.18 0.00 0.00 60.65 58.68 1aqj h LYS 131 Cb 0.57 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 1aqj h LYS 131 CO -0.55 0.25 -0.53 0.00 -1.08 0.00 0.00 179.45 177.55 1aqj h ALA 132 N 1.12 0.70 -2.95 3.86 0.00 -0.15 -3.44 119.26 118.40 1aqj h ALA 132 Ca 0.12 -0.48 -0.70 0.00 0.00 0.00 0.00 54.91 53.84 1aqj h ALA 132 Cb -0.02 -0.08 -0.27 0.00 0.00 0.00 0.00 17.79 17.41 1aqj h ALA 132 CO -0.04 0.66 -0.55 -0.06 0.00 0.00 0.00 179.25 179.26 1aqj s PHE 133 N -3.05 3.26 0.35 0.00 0.08 0.11 -4.96 117.98 113.77 1aqj s PHE 133 Ca 0.03 -1.22 0.12 0.00 0.12 0.00 0.00 56.93 55.98 1aqj s PHE 133 Cb 0.08 -2.42 0.66 0.00 -0.57 0.00 0.00 43.02 40.77 1aqj s PHE 133 CO 0.74 -0.70 1.79 0.66 -0.10 0.00 0.00 175.22 177.61 1aqj h SER 134 N 8.34 0.01 0.09 1.36 4.64 -1.85 -2.59 113.55 123.55 1aqj h SER 134 Ca -0.24 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1aqj h SER 134 Cb 1.09 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1aqj h SER 134 CO 0.65 0.42 -0.01 0.35 -0.87 0.00 0.00 176.83 177.37 1aqj n THR 135 N -4.05 0.00 -1.96 2.95 -2.24 -1.26 -4.84 114.28 102.87 1aqj n THR 135 Ca -0.02 -0.02 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1aqj n THR 135 Cb 0.44 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1aqj n THR 135 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1aqj s TRP 136 N -2.10 2.15 -0.04 4.78 -0.11 -0.98 -4.34 118.94 118.30 1aqj s TRP 136 Ca 0.44 0.23 -0.03 0.00 1.22 0.00 0.00 56.10 57.95 1aqj s TRP 136 Cb 0.22 -3.95 0.01 0.00 -1.50 0.00 0.00 33.47 28.25 1aqj s TRP 136 CO 0.38 -3.92 0.10 0.21 -4.62 0.00 0.00 176.95 169.11 1aqj s LYS 137 N 3.41 0.10 3.80 5.86 2.20 -1.26 -5.08 119.74 128.77 1aqj s LYS 137 Ca 0.74 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 1aqj s LYS 137 Cb -0.37 0.01 0.00 0.00 -1.51 0.00 0.00 37.83 35.96 1aqj s LYS 137 CO 0.31 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.67 1aqj n GLY 138 N 3.25 1.42 0.23 5.54 0.00 -1.26 -1.83 105.19 112.54 1aqj n GLY 138 Ca -0.15 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.43 1aqj n GLY 138 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1aqj h LYS 139 N 0.00 0.00 0.00 1.61 2.10 -1.99 -3.48 116.57 114.81 1aqj h LYS 139 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1aqj h LYS 139 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1aqj h LYS 139 CO 0.00 0.22 0.00 0.98 -2.00 0.00 0.00 179.45 178.65 1aqj n TYR 140 N -3.43 0.00 -3.64 0.07 9.36 -0.76 -4.90 117.16 113.86 1aqj n TYR 140 Ca -0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.16 1aqj n TYR 140 Cb 0.41 0.07 -0.07 0.00 -0.63 0.00 0.00 39.34 39.11 1aqj n TYR 140 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1aqj s ASN 141 N -4.00 -0.26 0.38 2.98 3.84 -1.26 -4.86 114.94 111.75 1aqj s ASN 141 Ca 0.00 0.49 0.13 0.00 0.21 0.00 0.00 52.86 53.69 1aqj s ASN 141 Cb 0.00 0.57 0.95 0.00 -0.55 0.00 0.00 41.25 42.22 1aqj s ASN 141 CO 0.00 -0.08 1.84 -0.07 -2.79 0.00 0.00 177.10 176.00 1aqj h LEU 142 N 3.92 0.54 -1.96 3.21 3.38 0.20 -0.28 115.31 124.33 1aqj h LEU 142 Ca -0.28 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1aqj h LEU 142 Cb 1.19 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.89 1aqj h LEU 142 CO 0.15 0.23 -0.03 0.10 0.09 0.00 0.00 178.44 178.97 1aqj h TYR 143 N 0.55 0.00 -0.23 1.13 -0.00 -1.65 0.45 116.97 117.22 1aqj h TYR 143 Ca 0.49 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 59.05 1aqj h TYR 143 Cb 1.01 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.73 1aqj h TYR 143 CO -0.00 0.03 -0.52 0.78 -0.00 0.00 0.00 178.16 178.45 1aqj h GLY 144 N 0.10 0.72 1.27 0.10 0.00 -1.37 -2.09 103.07 101.81 1aqj h GLY 144 Ca -0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 47.33 46.36 1aqj h GLY 144 CO 0.00 0.73 -0.44 0.00 0.00 0.00 0.00 176.54 176.84 1aqj h ALA 145 N 0.91 0.64 -0.73 3.60 0.00 -0.99 -2.62 119.26 120.08 1aqj h ALA 145 Ca 0.02 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1aqj h ALA 145 Cb 1.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1aqj h ALA 145 CO 0.10 0.67 0.25 0.74 0.00 0.00 0.00 179.25 181.02 1aqj h PHE 146 N 0.63 1.13 -0.04 0.00 -1.00 -0.89 -1.72 116.94 115.06 1aqj h PHE 146 Ca 0.04 -0.10 -0.00 0.00 2.81 0.00 0.00 57.97 60.72 1aqj h PHE 146 Cb 1.01 -0.33 -0.00 0.00 3.61 0.00 0.00 35.95 40.23 1aqj h PHE 146 CO 0.06 0.88 0.02 -0.07 -1.61 0.00 0.00 178.31 177.59 1aqj h LEU 147 N 1.07 0.05 -0.14 1.54 3.38 -1.23 0.23 115.31 120.21 1aqj h LEU 147 Ca 0.24 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1aqj h LEU 147 Cb 0.26 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1aqj h LEU 147 CO -0.01 0.15 0.08 -0.08 0.09 0.00 0.00 178.44 178.67 1aqj h GLU 148 N -0.06 0.19 -0.22 1.13 4.81 -1.37 -0.68 114.58 118.37 1aqj h GLU 148 Ca 0.01 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1aqj h GLU 148 Cb 0.12 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 1aqj h GLU 148 CO -0.00 0.17 0.03 -0.22 -0.73 0.00 0.00 179.01 178.26 1aqj h LYS 149 N 0.15 0.11 -0.66 1.92 1.63 -1.28 -2.37 116.57 116.08 1aqj h LYS 149 Ca 0.05 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 1aqj h LYS 149 Cb 0.03 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 1aqj h LYS 149 CO -0.01 0.07 0.40 0.00 -3.45 0.00 0.00 179.45 176.47 1aqj h ALA 150 N 1.17 0.86 0.00 5.00 0.00 -0.72 -1.05 119.26 124.52 1aqj h ALA 150 Ca 0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1aqj h ALA 150 Cb 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1aqj h ALA 150 CO -0.14 0.15 -0.10 0.28 0.00 0.00 0.00 179.25 179.44 1aqj h VAL 151 N 0.78 0.54 0.00 0.00 2.07 -0.85 -2.63 116.25 116.16 1aqj h VAL 151 Ca 0.27 -0.44 -0.18 0.00 0.82 0.00 0.00 66.70 67.17 1aqj h VAL 151 Cb 0.05 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1aqj h VAL 151 CO -0.12 0.09 -0.99 0.03 0.02 0.00 0.00 177.57 176.61 1aqj h ARG 152 N 0.00 0.00 -0.09 1.57 3.08 -0.69 -3.15 114.38 115.10 1aqj h ARG 152 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1aqj h ARG 152 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1aqj h ARG 152 CO 0.01 0.68 0.00 1.28 -1.07 0.00 0.00 179.97 180.87 1aqj n LEU 153 N -3.21 1.07 -4.74 3.04 4.77 -0.84 -4.85 117.00 112.24 1aqj n LEU 153 Ca -0.03 -0.43 -0.39 0.00 -0.03 0.00 0.00 56.01 55.13 1aqj n LEU 153 Cb 0.88 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.86 1aqj n LEU 153 CO 0.44 0.22 0.38 -0.76 -1.33 0.00 0.00 177.39 176.34 1aqj s LEU 154 N -1.64 4.40 0.55 2.23 1.02 -1.13 -0.24 118.68 123.87 1aqj s LEU 154 Ca 0.32 1.27 -0.06 0.00 0.02 0.00 0.00 54.13 55.68 1aqj s LEU 154 Cb 0.17 -3.08 -0.01 0.00 0.02 0.00 0.00 46.19 43.29 1aqj s LEU 154 CO 0.26 0.01 0.87 -1.59 0.02 0.00 0.00 176.35 175.92 1aqj s LYS 155 N 0.14 3.21 0.16 1.70 -2.85 -0.85 -4.82 119.74 116.43 1aqj s LYS 155 Ca 0.35 0.13 -0.34 0.00 -1.00 0.00 0.00 55.97 55.11 1aqj s LYS 155 Cb -0.19 -2.30 -0.15 0.00 -2.06 0.00 0.00 37.83 33.14 1aqj s LYS 155 CO 0.19 -0.50 1.40 -2.30 0.10 0.00 0.00 175.35 174.24 1aqj n PRO 156 N -2.47 1.67 -0.43 1.78 -0.02 -1.26 0.10 135.00 134.37 1aqj n PRO 156 Ca 0.03 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1aqj n PRO 156 Cb 0.56 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1aqj n PRO 156 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aqj n GLY 157 N 2.62 1.68 3.73 -1.23 0.00 -0.63 -5.00 105.19 106.36 1aqj n GLY 157 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1aqj n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aqj s GLY 158 N -1.91 2.21 -0.01 -0.02 0.00 0.11 -4.61 107.32 103.09 1aqj s GLY 158 Ca 0.00 0.75 0.08 0.00 0.00 0.00 0.00 44.72 45.54 1aqj s GLY 158 CO 0.00 1.14 -0.25 0.14 0.00 0.00 0.00 173.10 174.12 1aqj s VAL 159 N -2.18 2.00 -0.05 1.40 1.01 -0.28 -1.10 120.40 121.21 1aqj s VAL 159 Ca 0.71 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.62 1aqj s VAL 159 Cb -0.26 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1aqj s VAL 159 CO 0.46 0.55 -0.15 -0.22 0.00 0.00 0.00 175.10 175.74 1aqj s LEU 160 N -0.64 1.83 -0.16 3.92 0.20 0.81 -1.14 118.68 123.50 1aqj s LEU 160 Ca 0.10 -0.32 -0.02 0.00 0.69 0.00 0.00 54.13 54.58 1aqj s LEU 160 Cb -0.10 -0.87 0.05 0.00 -0.43 0.00 0.00 46.19 44.84 1aqj s LEU 160 CO -0.01 0.11 0.00 -0.69 -0.29 0.00 0.00 176.35 175.47 1aqj s VAL 161 N 0.23 0.66 0.05 1.68 1.01 0.06 -0.14 120.40 123.95 1aqj s VAL 161 Ca -0.07 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.53 1aqj s VAL 161 Cb -0.12 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.24 1aqj s VAL 161 CO 0.02 -0.01 -0.14 -0.36 0.00 0.00 0.00 175.10 174.62 1aqj s PHE 162 N 1.82 1.17 -0.31 5.22 0.40 -0.81 -2.12 117.98 123.35 1aqj s PHE 162 Ca 0.01 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.87 1aqj s PHE 162 Cb -0.15 -0.68 0.02 0.00 0.51 0.00 0.00 43.02 42.71 1aqj s PHE 162 CO -0.07 0.04 0.09 0.54 0.70 0.00 0.00 175.22 176.52 1aqj s VAL 163 N -1.03 3.90 0.27 -0.44 0.11 -1.14 -0.94 120.40 121.13 1aqj s VAL 163 Ca -0.01 -0.86 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 1aqj s VAL 163 Cb -0.09 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.63 1aqj s VAL 163 CO 0.02 -0.02 0.13 0.68 -3.33 0.00 0.00 175.10 172.57 1aqj s VAL 164 N 1.46 0.39 0.70 2.04 -7.23 -0.30 -4.42 120.40 113.04 1aqj s VAL 164 Ca 0.01 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.04 1aqj s VAL 164 Cb -0.18 -2.57 0.02 0.00 0.56 0.00 0.00 36.38 34.21 1aqj s VAL 164 CO 0.03 0.00 1.13 -2.84 -0.31 0.00 0.00 175.10 173.10 1aqj s PRO 165 N -3.96 2.54 0.00 4.82 0.02 -1.26 -0.07 135.00 137.10 1aqj s PRO 165 Ca 0.37 1.43 0.29 0.00 0.02 0.00 0.00 61.00 63.11 1aqj s PRO 165 Cb 0.06 -1.91 1.26 0.00 0.02 0.00 0.00 34.50 33.93 1aqj s PRO 165 CO 0.15 -1.46 1.91 0.00 -0.33 0.00 0.00 177.00 177.27 1aqj n ALA 166 N -2.68 2.60 -0.33 -1.55 0.00 0.00 -4.23 120.51 114.32 1aqj n ALA 166 Ca 0.11 -0.18 0.20 0.00 0.00 0.00 0.00 53.44 53.57 1aqj n ALA 166 Cb 0.52 -1.41 0.45 0.00 0.00 0.00 0.00 19.45 19.00 1aqj n ALA 166 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1aqj h THR 167 N 0.13 0.55 0.00 0.00 1.35 -1.84 -0.39 112.91 112.70 1aqj h THR 167 Ca 0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1aqj h THR 167 Cb 0.39 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.82 1aqj h THR 167 CO 0.00 0.09 0.00 -2.67 -0.25 0.00 0.00 175.52 172.69 1aqj n TRP 168 N -4.73 0.00 0.07 4.73 4.27 -1.26 -1.68 117.44 118.83 1aqj n TRP 168 Ca 0.26 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.72 1aqj n TRP 168 Cb 0.80 -0.39 -0.06 0.00 -1.36 0.00 0.00 31.31 30.30 1aqj n TRP 168 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 1aqj h LEU 169 N 0.00 0.60 0.00 5.67 3.38 -1.39 -3.41 115.31 120.16 1aqj h LEU 169 Ca 0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1aqj h LEU 169 Cb 0.06 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1aqj h LEU 169 CO 0.00 1.29 -0.96 1.33 0.09 0.00 0.00 178.44 180.19 1aqj n VAL 170 N -3.75 0.00 -1.95 1.22 0.24 -1.00 -1.43 118.33 111.65 1aqj n VAL 170 Ca -0.08 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.85 1aqj n VAL 170 Cb 0.85 -0.46 0.02 0.00 -1.47 0.00 0.00 33.84 32.78 1aqj n VAL 170 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1aqj s LEU 171 N -3.55 3.91 0.33 1.34 1.43 -0.68 -4.93 118.68 116.53 1aqj s LEU 171 Ca 0.00 2.60 0.13 0.00 -1.03 0.00 0.00 54.13 55.83 1aqj s LEU 171 Cb 0.00 -4.26 0.56 0.00 0.03 0.00 0.00 46.19 42.53 1aqj s LEU 171 CO 0.00 -1.33 1.72 -0.08 0.23 0.00 0.00 176.35 176.88 1aqj h GLU 172 N 1.68 0.00 0.00 1.70 4.57 -1.96 -3.00 114.58 117.57 1aqj h GLU 172 Ca -0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1aqj h GLU 172 Cb 1.28 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1aqj h GLU 172 CO 0.58 0.48 0.00 -0.44 -1.18 0.00 0.00 179.01 178.45 1aqj h ASP 173 N 0.00 0.00 -0.61 1.04 3.32 -1.91 -2.61 116.42 115.65 1aqj h ASP 173 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1aqj h ASP 173 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1aqj h ASP 173 CO 0.06 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.07 1aqj n PHE 174 N -2.66 0.86 -0.17 4.55 3.72 -1.13 -4.36 117.46 118.27 1aqj n PHE 174 Ca 0.00 -0.51 -0.04 0.00 -0.05 0.00 0.00 57.45 56.84 1aqj n PHE 174 Cb 0.19 -0.03 0.05 0.00 -0.94 0.00 0.00 39.48 38.75 1aqj n PHE 174 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1aqj h ALA 175 N 3.56 0.65 -0.26 4.37 0.00 -1.58 -1.45 119.26 124.55 1aqj h ALA 175 Ca 0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1aqj h ALA 175 Cb 0.95 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1aqj h ALA 175 CO 0.02 -0.07 -0.16 -0.07 0.00 0.00 0.00 179.25 178.97 1aqj h LEU 176 N 0.52 0.45 -0.12 0.00 3.38 -1.83 -2.46 115.31 115.25 1aqj h LEU 176 Ca 0.22 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1aqj h LEU 176 Cb 0.12 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1aqj h LEU 176 CO -0.15 0.63 0.01 0.25 0.09 0.00 0.00 178.44 179.28 1aqj h LEU 177 N 0.42 0.20 -1.27 1.67 5.85 -1.58 -0.06 115.31 120.54 1aqj h LEU 177 Ca 0.07 -0.28 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1aqj h LEU 177 Cb 0.53 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1aqj h LEU 177 CO 0.03 0.43 0.51 0.03 -0.34 0.00 0.00 178.44 179.10 1aqj h ARG 178 N -0.04 0.93 -0.45 1.25 3.08 -1.13 -0.12 114.38 117.90 1aqj h ARG 178 Ca 0.04 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 1aqj h ARG 178 Cb 0.32 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1aqj h ARG 178 CO 0.00 0.61 -0.22 0.93 -1.07 0.00 0.00 179.97 180.23 1aqj h GLU 179 N 0.96 0.94 0.26 0.04 5.08 -1.23 -1.40 114.58 119.23 1aqj h GLU 179 Ca 0.30 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1aqj h GLU 179 Cb 0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1aqj h GLU 179 CO -0.08 1.08 -0.21 0.35 -1.00 0.00 0.00 179.01 179.14 1aqj h PHE 180 N 0.78 -0.57 -0.39 4.33 3.57 0.10 -0.24 116.94 124.53 1aqj h PHE 180 Ca 0.10 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1aqj h PHE 180 Cb 0.80 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1aqj h PHE 180 CO 0.06 -0.32 0.25 -0.07 -2.23 0.00 0.00 178.31 175.99 1aqj h LEU 181 N -0.49 0.47 -0.90 0.59 4.07 -1.04 0.14 115.31 118.15 1aqj h LEU 181 Ca -0.01 -0.04 0.03 0.00 0.08 0.00 0.00 57.88 57.94 1aqj h LEU 181 Cb 0.44 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.01 1aqj h LEU 181 CO -0.02 0.36 0.59 0.00 -1.08 0.00 0.00 178.44 178.29 1aqj h ALA 182 N 1.12 1.18 -0.15 1.53 0.00 -1.13 -2.13 119.26 119.68 1aqj h ALA 182 Ca 0.14 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1aqj h ALA 182 Cb -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1aqj h ALA 182 CO -0.03 0.46 -0.55 -0.09 0.00 0.00 0.00 179.25 179.04 1aqj h ARG 183 N 1.15 0.44 0.00 0.00 2.43 -0.63 -3.34 114.38 114.42 1aqj h ARG 183 Ca 0.35 -0.28 -0.23 0.00 -0.81 0.00 0.00 59.98 59.02 1aqj h ARG 183 Cb -0.02 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1aqj h ARG 183 CO -0.11 0.87 -1.16 0.93 -1.51 0.00 0.00 179.97 178.99 1aqj h GLU 184 N 0.34 0.00 0.00 0.20 4.39 -0.56 -3.51 114.58 115.44 1aqj h GLU 184 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1aqj h GLU 184 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1aqj h GLU 184 CO 0.10 0.87 0.00 0.41 -1.16 0.00 0.00 179.01 179.23 1aqj n GLY 185 N 1.40 -0.57 3.75 -3.84 0.00 -0.84 -4.09 105.19 101.00 1aqj n GLY 185 Ca -0.04 -0.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.99 1aqj n GLY 185 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1aqj s LYS 186 N -0.02 4.46 -0.08 1.61 2.47 -0.88 -3.98 119.74 123.32 1aqj s LYS 186 Ca 0.00 0.99 0.03 0.00 -1.56 0.00 0.00 55.97 55.43 1aqj s LYS 186 Cb 0.00 -3.35 0.01 0.00 -1.46 0.00 0.00 37.83 33.03 1aqj s LYS 186 CO 0.00 0.32 -0.17 0.99 0.16 0.00 0.00 175.35 176.65 1aqj s THR 187 N -0.17 1.54 -0.14 3.43 2.01 -0.93 -2.17 115.64 119.22 1aqj s THR 187 Ca 0.37 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.67 1aqj s THR 187 Cb -0.20 -1.36 0.01 0.00 0.01 0.00 0.00 72.50 70.95 1aqj s THR 187 CO 0.22 0.45 -0.22 -0.44 -0.69 0.00 0.00 174.62 173.93 1aqj s SER 188 N 0.51 3.12 -0.18 3.53 0.01 -0.20 -1.51 113.70 118.97 1aqj s SER 188 Ca -0.16 -0.60 -0.02 0.00 1.31 0.00 0.00 55.95 56.48 1aqj s SER 188 Cb -0.17 -1.44 -0.01 0.00 0.21 0.00 0.00 66.02 64.61 1aqj s SER 188 CO 0.06 0.09 -0.09 -0.69 0.41 0.00 0.00 173.24 173.02 1aqj s VAL 189 N 0.76 3.13 -0.28 3.43 1.01 -0.68 -0.46 120.40 127.31 1aqj s VAL 189 Ca -0.08 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1aqj s VAL 189 Cb -0.16 -2.38 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1aqj s VAL 189 CO -0.01 0.48 0.00 -0.31 0.00 0.00 0.00 175.10 175.26 1aqj s TYR 190 N 1.00 3.16 -0.01 5.22 1.51 0.80 -0.12 117.35 128.90 1aqj s TYR 190 Ca -0.01 -1.51 -0.30 0.00 -1.01 0.00 0.00 57.07 54.24 1aqj s TYR 190 Cb -0.15 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1aqj s TYR 190 CO -0.01 -0.72 1.27 -0.47 -1.11 0.00 0.00 175.55 174.52 1aqj s TYR 191 N 1.35 3.12 -0.13 2.71 5.04 -0.60 -0.46 117.35 128.38 1aqj s TYR 191 Ca -0.01 1.09 -0.01 0.00 -2.44 0.00 0.00 57.07 55.69 1aqj s TYR 191 Cb -0.18 -3.51 -0.08 0.00 0.35 0.00 0.00 41.96 38.55 1aqj s TYR 191 CO -0.01 -1.72 -0.13 1.28 -1.34 0.00 0.00 175.55 173.63 1aqj n LEU 192 N 5.03 2.41 0.00 6.97 4.77 -0.63 -3.63 117.00 131.93 1aqj n LEU 192 Ca 0.11 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1aqj n LEU 192 Cb 0.45 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1aqj n LEU 192 CO 0.56 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.83 1aqj n GLY 193 N 2.67 -0.52 3.36 -0.72 0.00 0.36 -4.64 105.19 105.70 1aqj n GLY 193 Ca -0.24 -1.72 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 1aqj n GLY 193 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1aqj n GLU 194 N 0.00 3.32 0.00 1.61 1.02 -1.26 0.20 120.64 125.53 1aqj n GLU 194 Ca 0.00 -3.55 0.11 0.00 -0.02 0.00 0.00 57.16 53.70 1aqj n GLU 194 Cb 0.00 -3.17 0.02 0.00 -0.02 0.00 0.00 31.44 28.27 1aqj n GLU 194 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1aqj n VAL 195 N 4.97 0.00 -2.92 2.62 0.24 -1.26 -4.96 118.33 117.02 1aqj n VAL 195 Ca 0.42 -0.29 -0.31 0.00 -2.04 0.00 0.00 64.34 62.12 1aqj n VAL 195 Cb 0.42 1.26 -0.04 0.00 -1.47 0.00 0.00 33.84 34.02 1aqj n VAL 195 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1aqj s PHE 196 N -2.41 3.46 0.22 6.34 0.08 -1.26 -4.83 117.98 119.58 1aqj s PHE 196 Ca 0.20 1.05 -0.10 0.00 0.12 0.00 0.00 56.93 58.20 1aqj s PHE 196 Cb 0.18 -2.44 0.32 0.00 -0.57 0.00 0.00 43.02 40.52 1aqj s PHE 196 CO 0.53 -0.06 1.66 -1.35 -0.10 0.00 0.00 175.22 175.90 1aqj h PRO 197 N 1.43 0.11 -6.10 0.24 0.11 -1.93 -3.36 132.00 122.50 1aqj h PRO 197 Ca -0.47 -0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.06 1aqj h PRO 197 Cb 1.19 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.21 1aqj h PRO 197 CO 0.64 0.07 0.57 -1.14 -0.21 0.00 0.00 178.00 177.94 1aqj s GLN 198 N -6.14 4.33 0.64 1.05 0.74 -1.26 -4.91 119.66 114.11 1aqj s GLN 198 Ca -0.13 1.25 -0.11 0.00 0.05 0.00 0.00 55.36 56.42 1aqj s GLN 198 Cb 0.19 -3.58 0.15 0.00 1.10 0.00 0.00 33.01 30.87 1aqj s GLN 198 CO 0.74 -0.41 0.80 1.63 -0.55 0.00 0.00 175.29 177.50 1aqj n LYS 199 N 5.47 -1.13 -1.63 1.67 4.76 -1.26 -4.37 118.16 121.68 1aqj n LYS 199 Ca 0.08 -1.24 -0.14 0.00 -2.87 0.00 0.00 58.31 54.14 1aqj n LYS 199 Cb 0.48 -0.89 -0.05 0.00 -1.84 0.00 0.00 35.03 32.73 1aqj n LYS 199 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1aqj n LYS 200 N -2.93 -1.00 -3.57 1.97 4.76 -1.26 -4.96 118.16 111.17 1aqj n LYS 200 Ca 0.10 0.90 -0.29 0.00 -2.87 0.00 0.00 58.31 56.15 1aqj n LYS 200 Cb 0.36 -5.04 -0.14 0.00 -1.84 0.00 0.00 35.03 28.38 1aqj n LYS 200 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1aqj s VAL 201 N -2.56 0.31 -0.20 -0.18 1.01 -1.26 -4.97 120.40 112.55 1aqj s VAL 201 Ca 0.00 -1.34 -0.27 0.00 0.00 0.00 0.00 61.98 60.37 1aqj s VAL 201 Cb 0.00 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.13 1aqj s VAL 201 CO 0.00 -0.82 0.94 -0.55 0.00 0.00 0.00 175.10 174.67 1aqj s SER 202 N 1.53 7.03 0.21 3.32 0.15 -1.26 -4.10 113.70 120.58 1aqj s SER 202 Ca 0.13 1.28 0.01 0.00 0.70 0.00 0.00 55.95 58.07 1aqj s SER 202 Cb -0.19 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.58 1aqj s SER 202 CO -0.19 -0.53 0.38 0.00 1.20 0.00 0.00 173.24 174.10 1aqj s ALA 203 N 2.65 3.86 -0.05 5.45 0.00 0.54 -0.82 121.76 133.39 1aqj s ALA 203 Ca 0.41 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.38 1aqj s ALA 203 Cb -0.16 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.05 1aqj s ALA 203 CO 0.10 0.37 0.14 0.54 0.00 0.00 0.00 175.76 176.91 1aqj s VAL 204 N -1.91 0.01 -0.20 0.00 0.11 0.91 -0.49 120.40 118.82 1aqj s VAL 204 Ca 0.37 -0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 59.26 1aqj s VAL 204 Cb -0.11 -0.22 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 1aqj s VAL 204 CO 0.30 -0.04 0.11 -0.69 -3.33 0.00 0.00 175.10 171.46 1aqj s VAL 205 N -0.06 5.22 -0.19 2.04 1.01 0.39 -1.15 120.40 127.67 1aqj s VAL 205 Ca -0.01 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 1aqj s VAL 205 Cb -0.02 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 1aqj s VAL 205 CO 0.00 0.43 -0.08 -0.51 0.00 0.00 0.00 175.10 174.95 1aqj s ILE 206 N 0.46 3.26 -0.23 2.22 2.07 -0.12 -0.14 121.20 128.72 1aqj s ILE 206 Ca 0.07 -0.55 -0.05 0.00 -1.41 0.00 0.00 60.65 58.70 1aqj s ILE 206 Cb -0.12 -2.44 -0.01 0.00 0.13 0.00 0.00 42.46 40.02 1aqj s ILE 206 CO -0.01 0.46 -0.01 -0.60 -1.91 0.00 0.00 174.94 172.88 1aqj s ARG 207 N 1.05 3.47 -0.05 3.50 3.52 0.39 -1.93 118.95 128.90 1aqj s ARG 207 Ca 0.00 -0.58 0.05 0.00 -0.13 0.00 0.00 55.73 55.08 1aqj s ARG 207 Cb -0.15 -3.10 -0.01 0.00 -1.56 0.00 0.00 34.95 30.14 1aqj s ARG 207 CO -0.01 -0.18 -0.22 0.12 -0.81 0.00 0.00 175.30 174.21 1aqj s PHE 208 N 1.48 2.10 -0.14 5.12 2.19 0.80 -1.04 117.98 128.49 1aqj s PHE 208 Ca 0.06 -0.60 0.02 0.00 0.33 0.00 0.00 56.93 56.73 1aqj s PHE 208 Cb -0.14 -1.39 0.02 0.00 -1.31 0.00 0.00 43.02 40.19 1aqj s PHE 208 CO -0.01 -0.18 -0.18 -1.14 1.83 0.00 0.00 175.22 175.54 1aqj s GLN 209 N -0.10 2.64 -1.24 10.12 0.74 -0.92 -0.13 119.66 130.76 1aqj s GLN 209 Ca -0.03 -0.71 -0.09 0.00 0.05 0.00 0.00 55.36 54.59 1aqj s GLN 209 Cb -0.12 -2.25 -0.07 0.00 1.10 0.00 0.00 33.01 31.67 1aqj s GLN 209 CO 0.03 -0.11 2.47 1.17 -0.55 0.00 0.00 175.29 178.30 1aqj n LYS 210 N 4.37 2.79 -3.25 1.67 4.81 -0.26 -2.08 118.16 126.21 1aqj n LYS 210 Ca -0.19 -1.85 0.03 0.00 -0.87 0.00 0.00 58.31 55.43 1aqj n LYS 210 Cb 0.51 -2.67 -0.04 0.00 0.02 0.00 0.00 35.03 32.85 1aqj n LYS 210 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1aqj s SER 211 N 2.95 -0.11 0.00 3.14 1.04 -1.26 -1.61 113.70 117.85 1aqj s SER 211 Ca 0.54 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.13 1aqj s SER 211 Cb 0.14 1.12 0.00 0.00 0.10 0.00 0.00 66.02 67.38 1aqj s SER 211 CO -0.04 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1aqj n GLY 212 N 4.45 -1.13 3.37 7.32 0.00 -1.26 -4.03 105.19 113.91 1aqj n GLY 212 Ca -0.08 -2.13 -0.11 0.00 0.00 0.00 0.00 46.02 43.71 1aqj n GLY 212 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1aqj s LYS 213 N 0.00 1.16 0.00 1.61 -2.85 -1.26 -3.45 119.74 114.95 1aqj s LYS 213 Ca 0.00 -0.69 0.00 0.00 -1.00 0.00 0.00 55.97 54.28 1aqj s LYS 213 Cb 0.00 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 1aqj s LYS 213 CO 0.00 -0.47 0.00 0.41 0.10 0.00 0.00 175.35 175.39 1aqj n GLY 214 N -0.27 1.11 3.39 0.59 0.00 -1.26 -4.67 105.19 104.08 1aqj n GLY 214 Ca -0.15 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.63 1aqj n GLY 214 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1aqj s LEU 215 N 0.00 -0.30 -0.09 0.99 1.98 -0.45 -2.18 118.68 118.63 1aqj s LEU 215 Ca 0.00 1.08 0.04 0.00 -2.89 0.00 0.00 54.13 52.35 1aqj s LEU 215 Cb 0.00 1.68 0.00 0.00 0.66 0.00 0.00 46.19 48.54 1aqj s LEU 215 CO 0.00 -0.20 -0.21 -0.44 -1.89 0.00 0.00 176.35 173.60 1aqj s SER 216 N 1.30 2.77 -0.20 3.68 0.01 -0.57 0.11 113.70 120.81 1aqj s SER 216 Ca -0.08 -0.50 -0.07 0.00 1.31 0.00 0.00 55.95 56.61 1aqj s SER 216 Cb -0.07 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.85 1aqj s SER 216 CO -0.13 0.13 0.06 -0.22 0.41 0.00 0.00 173.24 173.49 1aqj s LEU 217 N 0.42 3.68 0.11 2.44 2.96 0.21 -1.69 118.68 126.81 1aqj s LEU 217 Ca -0.18 -0.01 0.10 0.00 -0.22 0.00 0.00 54.13 53.82 1aqj s LEU 217 Cb -0.17 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1aqj s LEU 217 CO 0.08 0.12 -0.25 0.26 -1.32 0.00 0.00 176.35 175.23 1aqj s TRP 218 N 0.71 2.15 0.38 5.38 0.52 0.84 -0.27 118.94 128.65 1aqj s TRP 218 Ca 0.03 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 55.83 1aqj s TRP 218 Cb -0.13 -1.19 -0.03 0.00 -1.15 0.00 0.00 33.47 30.97 1aqj s TRP 218 CO 0.02 0.27 0.32 0.34 0.02 0.00 0.00 176.95 177.92 1aqj s ASP 219 N -1.87 5.09 0.03 2.95 -1.08 0.16 -1.56 116.67 120.40 1aqj s ASP 219 Ca 0.11 -0.67 0.01 0.00 -0.52 0.00 0.00 52.55 51.49 1aqj s ASP 219 Cb -0.10 -0.73 -0.02 0.00 -1.46 0.00 0.00 42.92 40.61 1aqj s ASP 219 CO 0.05 -0.52 -0.05 0.42 0.52 0.00 0.00 175.17 175.59 1aqj s THR 220 N -2.41 0.31 -0.16 1.71 -4.23 -1.24 -0.68 115.64 108.94 1aqj s THR 220 Ca 0.45 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.89 1aqj s THR 220 Cb -0.04 -0.53 0.01 0.00 1.34 0.00 0.00 72.50 73.28 1aqj s THR 220 CO 0.27 -0.50 -0.19 -1.58 -0.54 0.00 0.00 174.62 172.08 1aqj s GLN 221 N -1.76 3.05 0.03 3.99 0.74 0.94 -4.91 119.66 121.75 1aqj s GLN 221 Ca -0.11 -0.82 -0.22 0.00 0.05 0.00 0.00 55.36 54.26 1aqj s GLN 221 Cb -0.08 -2.55 -0.06 0.00 1.10 0.00 0.00 33.01 31.42 1aqj s GLN 221 CO -0.01 -0.10 0.66 -2.00 -0.55 0.00 0.00 175.29 173.28 1aqj s GLU 222 N 1.05 4.38 0.32 1.67 2.56 -1.26 -0.20 118.70 127.22 1aqj s GLU 222 Ca -0.01 0.86 0.00 0.00 0.00 0.00 0.00 54.97 55.82 1aqj s GLU 222 Cb -0.14 -3.34 -0.01 0.00 2.00 0.00 0.00 34.13 32.64 1aqj s GLU 222 CO -0.06 0.37 0.38 -1.54 -0.56 0.00 0.00 175.26 173.85 1aqj s SER 223 N -0.27 1.03 0.62 -1.70 1.04 0.16 -4.97 113.70 109.60 1aqj s SER 223 Ca 0.33 -1.53 0.33 0.00 0.48 0.00 0.00 55.95 55.56 1aqj s SER 223 Cb -0.19 0.60 1.87 0.00 0.10 0.00 0.00 66.02 68.40 1aqj s SER 223 CO 0.20 -1.17 2.16 -0.33 0.98 0.00 0.00 173.24 175.08 1aqj h GLU 224 N 2.18 0.00 -0.00 4.02 3.07 -2.04 0.44 114.58 122.24 1aqj h GLU 224 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.58 1aqj h GLU 224 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1aqj h GLU 224 CO 0.39 0.00 -0.54 -1.13 -1.40 0.00 0.00 179.01 176.33 1aqj n SER 225 N -3.48 0.81 0.00 1.42 3.41 -1.26 -5.07 113.62 109.45 1aqj n SER 225 Ca -0.01 -0.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.99 1aqj n SER 225 Cb 0.24 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1aqj n SER 225 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aqj n GLY 226 N 1.46 0.09 3.67 5.00 0.00 0.14 -5.04 105.19 110.50 1aqj n GLY 226 Ca 0.07 -1.84 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 1aqj n GLY 226 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aqj s PHE 227 N -0.31 3.13 -0.16 1.61 0.08 -1.26 0.36 117.98 121.42 1aqj s PHE 227 Ca 0.00 0.16 0.01 0.00 0.12 0.00 0.00 56.93 57.22 1aqj s PHE 227 Cb 0.00 -1.78 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 1aqj s PHE 227 CO 0.00 0.44 -0.18 0.99 -0.10 0.00 0.00 175.22 176.37 1aqj s THR 228 N -0.85 2.32 0.30 0.64 2.01 0.72 -4.91 115.64 115.88 1aqj s THR 228 Ca 0.13 -0.88 -0.28 0.00 0.31 0.00 0.00 61.69 60.97 1aqj s THR 228 Cb -0.11 -1.97 -0.09 0.00 0.01 0.00 0.00 72.50 70.34 1aqj s THR 228 CO 0.02 0.53 1.07 -2.84 -0.69 0.00 0.00 174.62 172.71 1aqj s PRO 229 N 1.00 4.55 -0.18 4.92 0.02 -1.26 -0.04 135.00 144.01 1aqj s PRO 229 Ca -0.02 1.70 -0.04 0.00 0.02 0.00 0.00 61.00 62.66 1aqj s PRO 229 Cb -0.15 -3.04 0.06 0.00 0.02 0.00 0.00 34.50 31.39 1aqj s PRO 229 CO -0.05 0.16 0.06 0.42 -0.33 0.00 0.00 177.00 177.26 1aqj s ILE 230 N -1.28 0.23 0.11 2.83 1.01 0.15 -4.94 121.20 119.31 1aqj s ILE 230 Ca 0.47 -0.34 -0.31 0.00 0.00 0.00 0.00 60.65 60.48 1aqj s ILE 230 Cb -0.29 -0.79 -0.10 0.00 0.01 0.00 0.00 42.46 41.29 1aqj s ILE 230 CO 0.37 -0.22 1.76 -0.22 0.00 0.00 0.00 174.94 176.63 1aqj s LEU 231 N 2.00 4.39 -0.17 2.97 2.96 -1.26 0.39 118.68 129.95 1aqj s LEU 231 Ca 0.01 2.66 -0.14 0.00 -0.22 0.00 0.00 54.13 56.44 1aqj s LEU 231 Cb -0.16 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.90 1aqj s LEU 231 CO -0.08 -0.96 -0.25 1.87 -1.32 0.00 0.00 176.35 175.61 1aqj n TRP 232 N 5.54 0.44 -3.49 5.38 -0.00 0.63 -4.85 117.44 121.08 1aqj n TRP 232 Ca 0.17 0.19 -0.14 0.00 -0.00 0.00 0.00 57.50 57.72 1aqj n TRP 232 Cb 0.39 -0.67 -0.04 0.00 -0.00 0.00 0.00 31.31 30.99 1aqj n TRP 232 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1aqj s ALA 233 N -2.79 -1.74 0.00 5.87 0.00 -0.87 -4.99 121.76 117.25 1aqj s ALA 233 Ca -0.24 1.02 0.08 0.00 0.00 0.00 0.00 51.96 52.82 1aqj s ALA 233 Cb 0.04 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.41 1aqj s ALA 233 CO 0.35 -0.55 -0.24 -1.21 0.00 0.00 0.00 175.76 174.11 1aqj s GLU 234 N -2.35 2.05 -0.50 0.00 2.02 -1.26 0.68 118.70 119.34 1aqj s GLU 234 Ca -0.03 -0.97 0.03 0.00 0.02 0.00 0.00 54.97 54.02 1aqj s GLU 234 Cb -0.01 -2.07 0.14 0.00 0.10 0.00 0.00 34.13 32.30 1aqj s GLU 234 CO -0.02 0.55 0.28 0.71 0.02 0.00 0.00 175.26 176.81 1aqj s TYR 235 N -0.71 2.46 0.46 1.61 2.02 0.30 -4.97 117.35 118.53 1aqj s TYR 235 Ca 0.11 -2.75 0.22 0.00 -0.37 0.00 0.00 57.07 54.28 1aqj s TYR 235 Cb -0.10 -2.19 1.32 0.00 -0.40 0.00 0.00 41.96 40.59 1aqj s TYR 235 CO 0.01 -0.74 2.07 -1.35 -1.57 0.00 0.00 175.55 173.97 1aqj h PRO 236 N 6.42 0.00 -0.57 -1.71 0.11 -1.93 -1.07 132.00 133.25 1aqj h PRO 236 Ca 0.01 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.93 1aqj h PRO 236 Cb 0.89 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.89 1aqj h PRO 236 CO 0.56 0.12 0.17 0.72 -0.21 0.00 0.00 178.00 179.37 1aqj n HIS 237 N -3.99 1.88 -1.79 0.65 8.25 -1.26 -4.01 115.22 114.95 1aqj n HIS 237 Ca -0.02 -1.29 -0.41 0.00 -0.26 0.00 0.00 57.72 55.73 1aqj n HIS 237 Cb 0.21 -0.59 -0.02 0.00 1.12 0.00 0.00 29.99 30.71 1aqj n HIS 237 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1aqj s TRP 238 N -3.05 2.77 -0.07 4.41 -0.00 -0.95 -4.91 118.94 117.14 1aqj s TRP 238 Ca 0.50 0.78 0.23 0.00 -0.00 0.00 0.00 56.10 57.61 1aqj s TRP 238 Cb 0.42 -4.06 0.44 0.00 -0.00 0.00 0.00 33.47 30.26 1aqj s TRP 238 CO 0.09 -3.57 1.17 0.39 -0.00 0.00 0.00 176.95 175.04 1aqj n GLU 239 N 2.23 0.50 0.00 5.86 1.02 -1.26 -4.70 120.64 124.30 1aqj n GLU 239 Ca 0.08 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 54.82 1aqj n GLU 239 Cb 0.37 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.33 1aqj n GLU 239 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1aqj n GLY 240 N 0.10 0.67 3.73 0.62 0.00 -1.25 -4.57 105.19 104.50 1aqj n GLY 240 Ca 0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1aqj n GLY 240 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1aqj s GLU 241 N -0.59 2.48 0.41 1.61 8.01 -1.26 -4.50 118.70 124.87 1aqj s GLU 241 Ca 0.00 1.90 -0.23 0.00 0.01 0.00 0.00 54.97 56.65 1aqj s GLU 241 Cb 0.00 -1.86 -0.12 0.00 -4.31 0.00 0.00 34.13 27.84 1aqj s GLU 241 CO 0.00 -1.61 0.65 -0.89 0.01 0.00 0.00 175.26 173.43 1aqj n ILE 242 N -2.15 1.95 -4.04 -1.63 5.41 -1.26 -4.95 119.36 112.68 1aqj n ILE 242 Ca 0.14 -0.50 -0.35 0.00 1.00 0.00 0.00 62.75 63.05 1aqj n ILE 242 Cb 0.49 -0.66 -0.11 0.00 -0.71 0.00 0.00 39.64 38.65 1aqj n ILE 242 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1aqj s ILE 243 N -1.41 4.32 0.08 1.39 1.01 -0.52 -5.04 121.20 121.03 1aqj s ILE 243 Ca 0.63 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 61.10 1aqj s ILE 243 Cb -0.60 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1aqj s ILE 243 CO 0.58 0.43 -0.05 -0.13 0.00 0.00 0.00 174.94 175.76 1aqj s ARG 244 N 0.81 0.73 -0.84 2.79 0.52 -1.26 -4.66 118.95 117.04 1aqj s ARG 244 Ca 0.02 -1.25 -0.18 0.00 -0.52 0.00 0.00 55.73 53.80 1aqj s ARG 244 Cb -0.14 -0.06 0.14 0.00 0.52 0.00 0.00 34.95 35.41 1aqj s ARG 244 CO 0.02 -0.05 0.98 -0.06 0.02 0.00 0.00 175.30 176.21 1aqj s PHE 245 N -3.55 3.22 0.50 -0.53 0.08 -0.49 -5.02 117.98 112.19 1aqj s PHE 245 Ca 0.08 -1.41 -0.05 0.00 0.12 0.00 0.00 56.93 55.67 1aqj s PHE 245 Cb 0.05 -4.14 -0.03 0.00 -0.57 0.00 0.00 43.02 38.33 1aqj s PHE 245 CO -0.06 -1.36 0.81 -1.21 -0.10 0.00 0.00 175.22 173.29 1aqj s GLU 246 N 2.21 3.41 0.17 0.44 2.02 -1.26 -3.62 118.70 122.08 1aqj s GLU 246 Ca 0.26 0.15 -0.02 0.00 0.02 0.00 0.00 54.97 55.38 1aqj s GLU 246 Cb -0.10 -2.36 0.01 0.00 0.10 0.00 0.00 34.13 31.78 1aqj s GLU 246 CO -0.06 -0.30 0.26 0.25 0.02 0.00 0.00 175.26 175.42 1aqj n THR 247 N -2.32 0.00 -0.08 3.63 -2.24 -1.26 -5.01 114.28 106.99 1aqj n THR 247 Ca 0.01 -0.83 -0.13 0.00 -2.27 0.00 0.00 64.05 60.83 1aqj n THR 247 Cb 0.56 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 69.27 1aqj n THR 247 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1aqj h GLU 248 N 0.00 0.65 -0.29 -0.78 4.57 -1.99 -2.37 114.58 114.38 1aqj h GLU 248 Ca -0.14 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.67 1aqj h GLU 248 Cb 0.59 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.18 1aqj h GLU 248 CO 0.18 0.97 0.14 0.93 -1.18 0.00 0.00 179.01 180.05 1aqj h GLU 249 N 0.37 0.41 -0.20 1.92 5.08 -1.99 -1.30 114.58 118.87 1aqj h GLU 249 Ca 0.04 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1aqj h GLU 249 Cb 0.87 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.99 1aqj h GLU 249 CO 0.07 0.40 -0.17 1.15 -1.00 0.00 0.00 179.01 179.46 1aqj h THR 250 N 0.33 0.53 -0.53 1.13 2.02 -1.95 -1.41 112.91 113.03 1aqj h THR 250 Ca 0.10 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.22 1aqj h THR 250 Cb 0.12 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1aqj h THR 250 CO -0.01 0.00 0.10 0.03 0.37 0.00 0.00 175.52 176.01 1aqj h ARG 251 N -0.19 0.82 0.05 6.66 3.08 -1.22 -2.07 114.38 121.51 1aqj h ARG 251 Ca 0.12 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 1aqj h ARG 251 Cb 0.37 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1aqj h ARG 251 CO -0.31 0.76 -0.02 0.87 -1.07 0.00 0.00 179.97 180.20 1aqj h LYS 252 N 0.79 -0.06 -0.56 0.04 1.79 -0.90 -1.19 116.57 116.48 1aqj h LYS 252 Ca 0.17 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.72 1aqj h LYS 252 Cb 0.33 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.94 1aqj h LYS 252 CO 0.00 0.23 0.21 1.25 -1.08 0.00 0.00 179.45 180.06 1aqj h LEU 253 N -0.35 0.23 -1.11 2.94 5.85 -1.13 0.31 115.31 122.04 1aqj h LEU 253 Ca -0.01 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1aqj h LEU 253 Cb 0.31 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1aqj h LEU 253 CO 0.01 0.15 -0.44 -0.33 -0.34 0.00 0.00 178.44 177.49 1aqj h GLU 254 N 0.40 0.01 -0.01 1.25 5.08 -1.34 -3.16 114.58 116.82 1aqj h GLU 254 Ca 0.27 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1aqj h GLU 254 Cb 0.30 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1aqj h GLU 254 CO -0.27 0.45 -0.09 0.82 -1.00 0.00 0.00 179.01 178.92 1aqj h ILE 255 N 0.01 1.55 -0.48 3.13 1.08 0.18 -3.33 117.51 119.64 1aqj h ILE 255 Ca -0.00 -1.75 -0.46 0.00 -0.39 0.00 0.00 64.86 62.25 1aqj h ILE 255 Cb 0.78 2.69 -0.09 0.00 -3.07 0.00 0.00 36.82 37.13 1aqj h ILE 255 CO 0.06 0.47 1.14 -1.54 -0.69 0.00 0.00 178.15 177.59 1aqj n SER 256 N -4.66 6.76 0.00 1.72 3.41 0.94 -4.84 113.62 116.95 1aqj n SER 256 Ca -0.09 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 1aqj n SER 256 Cb 0.40 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 1aqj n SER 256 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aqj n GLY 257 N 2.14 0.50 3.76 5.00 0.00 -1.24 -4.68 105.19 110.66 1aqj n GLY 257 Ca 0.55 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1aqj n GLY 257 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1aqj s MET 258 N -2.00 3.06 0.29 1.61 -1.94 -0.27 -4.79 119.30 115.26 1aqj s MET 258 Ca 0.00 -0.45 -0.30 0.00 -1.71 0.00 0.00 55.69 53.24 1aqj s MET 258 Cb 0.00 -2.86 -0.11 0.00 2.01 0.00 0.00 34.83 33.88 1aqj s MET 258 CO 0.00 0.67 1.47 -2.14 -0.01 0.00 0.00 175.02 175.01 1aqj s PRO 259 N -1.48 4.22 0.48 2.03 0.02 -1.26 0.32 135.00 139.33 1aqj s PRO 259 Ca 0.20 2.40 0.17 0.00 0.02 0.00 0.00 61.00 63.79 1aqj s PRO 259 Cb -0.12 -3.06 1.17 0.00 0.02 0.00 0.00 34.50 32.51 1aqj s PRO 259 CO 0.10 -0.46 2.04 1.25 -0.33 0.00 0.00 177.00 179.59 1aqj h LEU 260 N 4.54 0.18 0.00 -5.54 5.85 -0.70 0.11 115.31 119.75 1aqj h LEU 260 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1aqj h LEU 260 Cb 1.22 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1aqj h LEU 260 CO 0.75 0.12 0.00 0.61 -0.34 0.00 0.00 178.44 179.58 1aqj n GLY 261 N -1.55 -0.77 0.07 3.75 0.00 0.42 -1.65 105.19 105.46 1aqj n GLY 261 Ca 0.06 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 46.08 1aqj n GLY 261 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aqj n ASP 262 N -1.41 0.39 0.00 1.61 9.92 0.39 -4.34 116.55 123.12 1aqj n ASP 262 Ca 0.04 0.16 0.06 0.00 -0.53 0.00 0.00 54.79 54.52 1aqj n ASP 262 Cb 0.11 1.02 -0.12 0.00 -0.64 0.00 0.00 41.12 41.49 1aqj n ASP 262 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1aqj n LEU 263 N -2.60 0.30 -4.27 0.64 7.99 -0.74 -4.87 117.00 113.45 1aqj n LEU 263 Ca -0.10 0.12 -0.15 0.00 -0.01 0.00 0.00 56.01 55.86 1aqj n LEU 263 Cb 0.75 0.08 -0.10 0.00 -0.11 0.00 0.00 43.42 44.05 1aqj n LEU 263 CO 0.44 0.07 -0.42 -0.36 -1.51 0.00 0.00 177.39 175.60 1aqj s PHE 264 N -3.22 1.37 -0.31 -1.77 0.08 -0.66 -0.71 117.98 112.76 1aqj s PHE 264 Ca -0.06 -0.69 -0.12 0.00 0.12 0.00 0.00 56.93 56.18 1aqj s PHE 264 Cb 0.11 -0.68 -0.03 0.00 -0.57 0.00 0.00 43.02 41.85 1aqj s PHE 264 CO 0.86 0.15 0.21 -1.01 -0.10 0.00 0.00 175.22 175.32 1aqj s HIS 265 N -3.10 3.22 -0.50 0.36 3.76 0.34 -4.71 115.29 114.66 1aqj s HIS 265 Ca 0.17 -0.08 -0.21 0.00 -0.15 0.00 0.00 55.06 54.78 1aqj s HIS 265 Cb 0.01 -2.42 0.05 0.00 1.11 0.00 0.00 32.58 31.33 1aqj s HIS 265 CO 0.02 -0.27 0.71 0.42 -0.85 0.00 0.00 174.74 174.77 1aqj s ILE 266 N 1.73 4.74 0.28 0.60 1.01 -1.26 -0.96 121.20 127.33 1aqj s ILE 266 Ca 0.06 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.63 1aqj s ILE 266 Cb -0.17 -4.34 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 1aqj s ILE 266 CO 0.10 -0.84 0.29 -0.13 0.00 0.00 0.00 174.94 174.36 1aqj s ARG 267 N 3.01 3.01 0.13 2.79 1.81 0.20 -4.92 118.95 124.99 1aqj s ARG 267 Ca 0.21 -1.04 0.08 0.00 -1.72 0.00 0.00 55.73 53.25 1aqj s ARG 267 Cb -0.16 -2.64 -0.04 0.00 -0.45 0.00 0.00 34.95 31.65 1aqj s ARG 267 CO 0.15 0.30 -0.09 -0.06 -0.68 0.00 0.00 175.30 174.92 1aqj s PHE 268 N -2.14 2.72 0.68 -0.53 0.08 -1.26 -0.63 117.98 116.89 1aqj s PHE 268 Ca 0.36 -0.17 -0.10 0.00 0.12 0.00 0.00 56.93 57.14 1aqj s PHE 268 Cb -0.08 -1.39 0.02 0.00 -0.57 0.00 0.00 43.02 41.00 1aqj s PHE 268 CO 0.27 0.46 1.05 0.00 -0.10 0.00 0.00 175.22 176.90 1aqj s ALA 269 N -1.39 2.99 0.50 5.36 0.00 -1.26 -4.96 121.76 123.00 1aqj s ALA 269 Ca 0.23 -0.46 -0.16 0.00 0.00 0.00 0.00 51.96 51.57 1aqj s ALA 269 Cb -0.10 -2.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.03 1aqj s ALA 269 CO 0.15 -1.08 0.96 0.00 0.00 0.00 0.00 175.76 175.79 1aqj s ALA 270 N -3.27 3.10 0.25 0.00 0.00 -1.26 -4.88 121.76 115.70 1aqj s ALA 270 Ca 0.57 0.14 0.06 0.00 0.00 0.00 0.00 51.96 52.73 1aqj s ALA 270 Cb -0.11 -3.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1aqj s ALA 270 CO 0.50 -0.20 0.33 1.03 0.00 0.00 0.00 175.76 177.42 1aqj s ARG 271 N -4.01 3.29 0.15 0.00 1.81 -1.26 -4.49 118.95 114.44 1aqj s ARG 271 Ca 0.58 -0.85 -0.11 0.00 -1.72 0.00 0.00 55.73 53.63 1aqj s ARG 271 Cb -0.10 -2.81 0.17 0.00 -0.45 0.00 0.00 34.95 31.76 1aqj s ARG 271 CO 0.31 0.39 1.03 0.43 -0.68 0.00 0.00 175.30 176.78 1aqj n SER 272 N -1.38 -0.42 -0.22 0.23 7.64 -1.26 -0.14 113.62 118.08 1aqj n SER 272 Ca -0.08 1.15 0.02 0.00 1.01 0.00 0.00 58.87 60.98 1aqj n SER 272 Cb 0.57 -0.27 0.13 0.00 -1.01 0.00 0.00 64.21 63.63 1aqj n SER 272 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1aqj h PRO 273 N 0.00 0.18 -0.50 1.43 0.13 -1.96 1.32 132.00 132.60 1aqj h PRO 273 Ca 0.24 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.40 1aqj h PRO 273 Cb 0.40 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.45 1aqj h PRO 273 CO -0.66 0.12 0.26 0.93 -0.23 0.00 0.00 178.00 178.42 1aqj h GLU 274 N 0.18 0.50 -0.41 0.86 5.08 -0.93 0.23 114.58 120.09 1aqj h GLU 274 Ca 0.35 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.57 1aqj h GLU 274 Cb 0.57 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 1aqj h GLU 274 CO -0.51 0.33 -0.16 0.74 -1.00 0.00 0.00 179.01 178.42 1aqj h PHE 275 N 0.51 0.95 0.00 4.33 0.04 -0.68 -2.31 116.94 119.77 1aqj h PHE 275 Ca 0.22 -0.22 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1aqj h PHE 275 Cb 0.11 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.04 1aqj h PHE 275 CO -0.10 0.98 0.00 1.63 -0.60 0.00 0.00 178.31 180.22 1aqj n LYS 276 N -4.26 0.06 0.00 1.51 5.02 0.43 -1.76 118.16 119.16 1aqj n LYS 276 Ca -0.01 0.23 0.09 0.00 -2.02 0.00 0.00 58.31 56.60 1aqj n LYS 276 Cb 0.40 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 1aqj n LYS 276 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1aqj n LYS 277 N -1.43 0.83 -2.82 1.97 4.81 0.72 -4.92 118.16 117.31 1aqj n LYS 277 Ca 0.04 -0.03 -0.42 0.00 -0.87 0.00 0.00 58.31 57.03 1aqj n LYS 277 Cb 0.14 -1.39 -0.04 0.00 0.02 0.00 0.00 35.03 33.77 1aqj n LYS 277 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1aqj s HIS 278 N -2.75 3.24 0.65 5.64 2.46 -0.72 -4.93 115.29 118.87 1aqj s HIS 278 Ca 0.07 1.08 0.22 0.00 0.47 0.00 0.00 55.06 56.91 1aqj s HIS 278 Cb 0.14 -3.30 1.22 0.00 -0.13 0.00 0.00 32.58 30.51 1aqj s HIS 278 CO 0.76 -0.56 1.68 -1.35 -2.47 0.00 0.00 174.74 172.80 1aqj h PRO 279 N 7.91 0.00 0.00 2.88 0.11 -1.91 -0.08 132.00 140.90 1aqj h PRO 279 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 1aqj h PRO 279 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1aqj h PRO 279 CO 0.93 0.00 -0.75 0.00 -0.21 0.00 0.00 178.00 177.97 1aqj n ALA 280 N -1.78 3.78 -2.68 -0.75 0.00 -1.26 -4.92 120.51 112.89 1aqj n ALA 280 Ca -0.01 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 1aqj n ALA 280 Cb 0.53 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.95 1aqj n ALA 280 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1aqj s VAL 281 N -3.06 4.78 0.11 0.00 1.01 -0.05 -4.19 120.40 119.01 1aqj s VAL 281 Ca 0.08 2.01 0.08 0.00 0.00 0.00 0.00 61.98 64.15 1aqj s VAL 281 Cb 0.16 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1aqj s VAL 281 CO 0.77 0.09 -0.13 -0.13 0.00 0.00 0.00 175.10 175.69 1aqj s ARG 282 N 1.48 2.02 0.00 2.72 1.81 0.43 -4.93 118.95 122.48 1aqj s ARG 282 Ca 0.51 -1.07 0.26 0.00 -1.72 0.00 0.00 55.73 53.71 1aqj s ARG 282 Cb -0.20 -2.24 0.73 0.00 -0.45 0.00 0.00 34.95 32.79 1aqj s ARG 282 CO 0.24 0.50 1.55 1.63 -0.68 0.00 0.00 175.30 178.54 1aqj n LYS 283 N 0.76 0.73 -4.18 3.54 5.02 -1.26 0.60 118.16 123.37 1aqj n LYS 283 Ca -0.14 -0.43 -0.17 0.00 -2.02 0.00 0.00 58.31 55.55 1aqj n LYS 283 Cb 0.52 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.93 1aqj n LYS 283 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1aqj s GLU 284 N -2.56 0.86 1.07 1.97 2.02 -1.26 -4.72 118.70 116.07 1aqj s GLU 284 Ca 0.23 -1.06 -0.18 0.00 0.02 0.00 0.00 54.97 53.98 1aqj s GLU 284 Cb 0.19 -0.74 0.27 0.00 0.10 0.00 0.00 34.13 33.95 1aqj s GLU 284 CO 0.54 0.15 0.89 -0.35 0.02 0.00 0.00 175.26 176.51 1aqj n PRO 285 N 0.94 -3.09 0.00 0.39 -0.04 -1.26 -4.75 135.00 127.19 1aqj n PRO 285 Ca -0.19 -1.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.84 1aqj n PRO 285 Cb 0.56 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 1aqj n PRO 285 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aqj n GLY 286 N -3.85 2.05 3.76 0.55 0.00 -1.26 -5.04 105.19 101.41 1aqj n GLY 286 Ca 0.13 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1aqj n GLY 286 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aqj s PRO 287 N -2.00 4.40 0.00 1.61 0.04 -1.26 -2.07 135.00 135.72 1aqj s PRO 287 Ca 0.00 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1aqj s PRO 287 Cb 0.00 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.44 1aqj s PRO 287 CO 0.00 -0.14 0.00 0.41 0.04 0.00 0.00 177.00 177.31 1aqj n GLY 288 N 1.10 2.19 3.79 0.56 0.00 -1.26 -5.01 105.19 106.56 1aqj n GLY 288 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 1aqj n GLY 288 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aqj s LEU 289 N 0.00 4.40 -0.05 0.99 1.43 -0.88 -4.24 118.68 120.33 1aqj s LEU 289 Ca 0.00 0.96 0.04 0.00 -1.03 0.00 0.00 54.13 54.09 1aqj s LEU 289 Cb 0.00 -2.68 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 1aqj s LEU 289 CO 0.00 0.19 -0.16 0.54 0.23 0.00 0.00 176.35 177.15 1aqj s VAL 290 N -0.40 2.95 0.35 -1.59 0.11 0.23 -4.75 120.40 117.30 1aqj s VAL 290 Ca 0.25 -0.76 -0.27 0.00 -2.93 0.00 0.00 61.98 58.27 1aqj s VAL 290 Cb -0.17 -2.15 -0.09 0.00 -1.53 0.00 0.00 36.38 32.44 1aqj s VAL 290 CO 0.13 0.59 1.20 -2.16 -3.33 0.00 0.00 175.10 171.52 1aqj s PRO 291 N -0.65 4.29 -0.43 1.54 0.04 -1.26 -0.52 135.00 138.02 1aqj s PRO 291 Ca 0.10 1.96 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 1aqj s PRO 291 Cb -0.11 -2.93 0.02 0.00 0.04 0.00 0.00 34.50 31.53 1aqj s PRO 291 CO 0.01 -0.15 1.04 0.08 0.04 0.00 0.00 177.00 178.02 1aqj s VAL 292 N -1.26 4.38 0.64 -0.36 1.01 -0.84 -4.57 120.40 119.40 1aqj s VAL 292 Ca 0.51 1.17 -0.14 0.00 0.00 0.00 0.00 61.98 63.52 1aqj s VAL 292 Cb -0.34 -4.49 -0.01 0.00 0.00 0.00 0.00 36.38 31.54 1aqj s VAL 292 CO 0.44 -0.81 1.08 -0.76 0.00 0.00 0.00 175.10 175.05 1aqj s LEU 293 N 4.00 3.37 0.00 3.92 1.43 0.10 -4.32 118.68 127.19 1aqj s LEU 293 Ca 0.43 1.86 0.06 0.00 -1.03 0.00 0.00 54.13 55.44 1aqj s LEU 293 Cb -0.09 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.57 1aqj s LEU 293 CO 0.26 -1.44 0.20 0.35 0.23 0.00 0.00 176.35 175.95 1aqj n THR 294 N -2.43 0.00 0.30 5.49 -2.24 -1.26 -0.46 114.28 113.67 1aqj n THR 294 Ca 0.09 -1.95 0.19 0.00 -2.27 0.00 0.00 64.05 60.10 1aqj n THR 294 Cb 0.53 0.91 1.00 0.00 -2.10 0.00 0.00 70.33 70.67 1aqj n THR 294 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1aqj h GLY 295 N 1.57 0.00 1.60 3.38 0.00 -1.94 0.32 103.07 107.99 1aqj h GLY 295 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1aqj h GLY 295 CO 0.31 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.39 1aqj n ARG 296 N -3.41 0.37 0.04 4.80 1.74 -1.26 -2.63 116.66 116.31 1aqj n ARG 296 Ca -0.02 0.02 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 1aqj n ARG 296 Cb 0.18 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.02 1aqj n ARG 296 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1aqj n ASN 297 N -1.30 0.37 -4.66 0.55 4.13 0.10 -4.86 115.26 109.60 1aqj n ASN 297 Ca 0.13 0.15 -0.41 0.00 1.68 0.00 0.00 54.58 56.12 1aqj n ASN 297 Cb 0.23 1.30 -0.05 0.00 -1.54 0.00 0.00 39.78 39.72 1aqj n ASN 297 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1aqj s LEU 298 N -4.91 4.14 0.40 3.41 2.96 -1.08 0.13 118.68 123.73 1aqj s LEU 298 Ca -0.05 0.98 0.07 0.00 -0.22 0.00 0.00 54.13 54.91 1aqj s LEU 298 Cb 0.12 -3.06 -0.08 0.00 0.50 0.00 0.00 46.19 43.67 1aqj s LEU 298 CO 0.86 -0.37 0.01 -0.54 -1.32 0.00 0.00 176.35 174.98 1aqj s LYS 299 N 2.22 1.93 -0.66 1.98 -0.14 0.67 -4.97 119.74 120.77 1aqj s LYS 299 Ca 0.33 -2.09 -0.26 0.00 -1.36 0.00 0.00 55.97 52.59 1aqj s LYS 299 Cb -0.16 -1.60 -0.02 0.00 -1.68 0.00 0.00 37.83 34.37 1aqj s LYS 299 CO 0.10 -0.05 1.86 -2.14 -0.76 0.00 0.00 175.35 174.36 1aqj s PRO 300 N -3.72 2.63 0.00 -1.68 0.02 -1.26 -2.93 135.00 128.06 1aqj s PRO 300 Ca 0.35 0.43 0.00 0.00 0.02 0.00 0.00 61.00 61.80 1aqj s PRO 300 Cb 0.10 -4.50 0.00 0.00 0.02 0.00 0.00 34.50 30.12 1aqj s PRO 300 CO 0.18 -2.82 0.00 0.41 -0.33 0.00 0.00 177.00 174.44 1aqj n GLY 301 N 5.89 0.29 3.47 0.52 0.00 -0.45 -5.00 105.19 109.90 1aqj n GLY 301 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 1aqj n GLY 301 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1aqj s TRP 302 N -2.08 0.18 -0.11 1.61 1.48 -1.15 -4.70 118.94 114.17 1aqj s TRP 302 Ca 0.00 -0.54 0.03 0.00 -1.06 0.00 0.00 56.10 54.54 1aqj s TRP 302 Cb 0.00 0.18 0.00 0.00 -1.16 0.00 0.00 33.47 32.49 1aqj s TRP 302 CO 0.00 -0.86 -0.23 0.08 -4.06 0.00 0.00 176.95 171.88 1aqj s VAL 303 N -3.94 2.00 -0.77 -0.66 1.01 -1.26 -0.24 120.40 116.55 1aqj s VAL 303 Ca 0.15 -0.97 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 1aqj s VAL 303 Cb 0.01 -1.75 0.11 0.00 0.00 0.00 0.00 36.38 34.75 1aqj s VAL 303 CO 0.01 0.54 0.96 -0.62 0.00 0.00 0.00 175.10 175.99 1aqj s ASP 304 N 0.51 6.41 0.24 3.32 2.15 0.35 -4.85 116.67 124.79 1aqj s ASP 304 Ca -0.15 -1.66 0.24 0.00 0.43 0.00 0.00 52.55 51.41 1aqj s ASP 304 Cb -0.17 -2.37 0.93 0.00 -0.30 0.00 0.00 42.92 41.01 1aqj s ASP 304 CO 0.05 -1.15 1.73 -1.22 -0.17 0.00 0.00 175.17 174.42 1aqj n TYR 305 N 6.64 0.82 0.00 -5.34 4.01 -1.26 -4.32 117.16 117.71 1aqj n TYR 305 Ca 0.08 0.29 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 1aqj n TYR 305 Cb 0.46 -0.98 0.00 0.00 -0.31 0.00 0.00 39.34 38.52 1aqj n TYR 305 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1aqj n GLU 306 N -2.22 0.00 -1.64 -0.72 -0.58 -1.26 -4.78 120.64 109.43 1aqj n GLU 306 Ca 0.03 0.25 -0.51 0.00 -0.42 0.00 0.00 57.16 56.51 1aqj n GLU 306 Cb 0.29 -0.80 -0.06 0.00 -0.57 0.00 0.00 31.44 30.31 1aqj n GLU 306 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1aqj n LYS 307 N -1.25 1.48 -3.56 3.49 4.81 -1.26 -4.94 118.16 116.93 1aqj n LYS 307 Ca 0.00 0.54 -0.37 0.00 -0.87 0.00 0.00 58.31 57.61 1aqj n LYS 307 Cb 0.00 -2.24 -0.07 0.00 0.02 0.00 0.00 35.03 32.75 1aqj n LYS 307 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1aqj s ASN 308 N 1.61 6.54 0.00 3.14 3.84 -1.26 -4.91 114.94 123.90 1aqj s ASN 308 Ca 0.87 0.64 0.00 0.00 0.21 0.00 0.00 52.86 54.58 1aqj s ASN 308 Cb -0.89 -2.19 0.00 0.00 -0.55 0.00 0.00 41.25 37.62 1aqj s ASN 308 CO 0.49 0.20 0.28 1.41 -2.79 0.00 0.00 177.10 176.69 1aqj n HIS 309 N 2.89 0.00 -0.05 0.43 8.25 -1.26 -4.77 115.22 120.71 1aqj n HIS 309 Ca -0.13 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.32 1aqj n HIS 309 Cb 0.52 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.51 1aqj n HIS 309 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1aqj n SER 310 N -0.20 1.12 -0.01 0.41 3.41 -1.26 -4.99 113.62 112.10 1aqj n SER 310 Ca 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1aqj n SER 310 Cb 0.04 1.28 -0.00 0.00 -0.26 0.00 0.00 64.21 65.28 1aqj n SER 310 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1aqj n GLY 311 N 1.81 0.47 3.31 5.00 0.00 -1.26 -5.01 105.19 109.51 1aqj n GLY 311 Ca -0.16 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1aqj n GLY 311 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aqj s LEU 312 N -0.04 2.14 0.06 0.99 1.43 -1.26 -4.36 118.68 117.64 1aqj s LEU 312 Ca 0.00 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.67 1aqj s LEU 312 Cb 0.00 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1aqj s LEU 312 CO 0.00 0.29 -0.09 0.26 0.23 0.00 0.00 176.35 177.03 1aqj s TRP 313 N -0.40 0.83 0.08 0.29 0.52 0.20 -1.99 118.94 118.47 1aqj s TRP 313 Ca 0.04 -0.55 -0.26 0.00 0.02 0.00 0.00 56.10 55.35 1aqj s TRP 313 Cb -0.12 -0.48 0.08 0.00 -1.15 0.00 0.00 33.47 31.80 1aqj s TRP 313 CO 0.01 -0.06 0.72 0.00 0.02 0.00 0.00 176.95 177.65 1aqj s MET 314 N -1.95 1.08 -0.24 4.98 0.23 0.32 0.16 119.30 123.88 1aqj s MET 314 Ca -0.05 -0.35 -0.29 0.00 -1.03 0.00 0.00 55.69 53.97 1aqj s MET 314 Cb -0.08 0.50 -0.02 0.00 -1.53 0.00 0.00 34.83 33.70 1aqj s MET 314 CO 0.00 -0.46 1.57 -1.25 -2.03 0.00 0.00 175.02 172.85 1aqj s PRO 315 N -3.31 3.78 0.24 3.16 0.04 -1.26 0.74 135.00 138.39 1aqj s PRO 315 Ca 0.02 1.56 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 1aqj s PRO 315 Cb -0.01 -4.02 0.43 0.00 0.04 0.00 0.00 34.50 30.94 1aqj s PRO 315 CO -0.10 -1.31 1.30 1.17 0.04 0.00 0.00 177.00 178.11 1aqj n LYS 316 N 7.66 -0.07 -0.17 4.56 4.81 -1.26 -0.48 118.16 133.21 1aqj n LYS 316 Ca 0.18 1.29 0.24 0.00 -0.87 0.00 0.00 58.31 59.16 1aqj n LYS 316 Cb 0.46 -1.95 0.65 0.00 0.02 0.00 0.00 35.03 34.20 1aqj n LYS 316 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1aqj h GLU 317 N 0.00 0.13 -0.25 1.64 3.07 -1.92 -1.36 114.58 115.88 1aqj h GLU 317 Ca 0.42 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 1aqj h GLU 317 Cb 0.68 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1aqj h GLU 317 CO -0.85 0.09 0.00 0.54 -1.40 0.00 0.00 179.01 177.39 1aqj n ARG 318 N -4.37 1.92 0.22 2.33 1.74 0.37 -4.00 116.66 114.88 1aqj n ARG 318 Ca 0.17 -1.39 0.08 0.00 -0.77 0.00 0.00 57.85 55.94 1aqj n ARG 318 Cb 0.82 -1.40 0.51 0.00 -1.02 0.00 0.00 32.46 31.36 1aqj n ARG 318 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aqj h ALA 319 N 4.09 1.21 0.00 7.54 0.00 -1.33 -2.38 119.26 128.39 1aqj h ALA 319 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1aqj h ALA 319 Cb 0.59 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1aqj h ALA 319 CO 0.00 0.31 -0.01 0.87 0.00 0.00 0.00 179.25 180.43 1aqj h LYS 320 N 0.00 0.00 0.00 0.00 1.57 -1.75 -1.62 116.57 114.77 1aqj h LYS 320 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1aqj h LYS 320 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1aqj h LYS 320 CO 0.03 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.31 1aqj n GLU 321 N -3.37 0.60 -0.08 3.15 1.02 -0.90 -3.52 120.64 117.54 1aqj n GLU 321 Ca -0.03 0.02 -0.18 0.00 -0.02 0.00 0.00 57.16 56.95 1aqj n GLU 321 Cb 0.09 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 1aqj n GLU 321 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1aqj n LEU 322 N -1.16 1.22 -3.68 -4.62 4.77 -0.62 -4.99 117.00 107.92 1aqj n LEU 322 Ca 0.16 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 56.16 1aqj n LEU 322 Cb 0.16 -0.49 -0.16 0.00 -2.33 0.00 0.00 43.42 40.60 1aqj n LEU 322 CO 0.18 0.36 -0.28 -0.13 -1.33 0.00 0.00 177.39 176.20 1aqj s ARG 323 N -2.30 -0.00 0.22 3.23 1.81 -1.17 -4.99 118.95 115.75 1aqj s ARG 323 Ca -0.23 0.46 -0.12 0.00 -1.72 0.00 0.00 55.73 54.12 1aqj s ARG 323 Cb 0.09 -0.33 0.29 0.00 -0.45 0.00 0.00 34.95 34.55 1aqj s ARG 323 CO 0.29 -0.29 1.63 0.38 -0.68 0.00 0.00 175.30 176.64 1aqj h ASP 324 N 8.19 -0.50 0.00 0.23 2.03 -1.85 -1.08 116.42 123.44 1aqj h ASP 324 Ca -0.18 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1aqj h ASP 324 Cb 1.12 0.37 0.00 0.00 -0.83 0.00 0.00 39.33 39.99 1aqj h ASP 324 CO 0.20 -0.19 0.03 2.22 -1.03 0.00 0.00 179.24 180.47 1aqj n PHE 325 N -5.40 0.24 0.30 4.15 1.16 -1.26 -1.75 117.46 114.90 1aqj n PHE 325 Ca 0.09 0.13 0.19 0.00 -1.87 0.00 0.00 57.45 55.99 1aqj n PHE 325 Cb 0.37 -0.67 0.84 0.00 -1.61 0.00 0.00 39.48 38.41 1aqj n PHE 325 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1aqj h TYR 326 N 0.00 0.00 -0.00 2.97 0.05 -1.49 -2.06 116.97 116.43 1aqj h TYR 326 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1aqj h TYR 326 Cb 0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.81 1aqj h TYR 326 CO 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 178.16 176.92 1aqj n ALA 327 N -2.07 2.85 -3.01 3.88 0.00 -0.72 -4.47 120.51 116.97 1aqj n ALA 327 Ca -0.00 -0.24 -0.33 0.00 0.00 0.00 0.00 53.44 52.87 1aqj n ALA 327 Cb 0.23 -1.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.23 1aqj n ALA 327 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1aqj s THR 328 N -2.81 3.26 0.18 0.00 2.01 -0.78 -4.97 115.64 112.53 1aqj s THR 328 Ca 0.19 -0.59 -0.31 0.00 0.31 0.00 0.00 61.69 61.28 1aqj s THR 328 Cb 0.19 -2.38 -0.10 0.00 0.01 0.00 0.00 72.50 70.22 1aqj s THR 328 CO 0.56 0.52 1.52 -2.84 -0.69 0.00 0.00 174.62 173.69 1aqj s PRO 329 N 0.28 4.24 0.28 4.92 0.02 -1.26 -4.72 135.00 138.76 1aqj s PRO 329 Ca -0.08 2.31 -0.05 0.00 0.02 0.00 0.00 61.00 63.20 1aqj s PRO 329 Cb -0.15 -3.16 0.02 0.00 0.02 0.00 0.00 34.50 31.23 1aqj s PRO 329 CO 0.05 -0.55 0.46 -2.39 -0.33 0.00 0.00 177.00 174.24 1aqj n HIS 330 N 3.60 -1.52 -3.13 6.54 1.44 -1.07 -4.96 115.22 116.11 1aqj n HIS 330 Ca 0.12 -1.62 -0.39 0.00 -2.01 0.00 0.00 57.72 53.82 1aqj n HIS 330 Cb 0.39 0.52 -0.06 0.00 0.12 0.00 0.00 29.99 30.97 1aqj n HIS 330 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 1aqj s LEU 331 N 0.00 4.45 -0.12 2.39 2.96 -1.19 0.58 118.68 127.76 1aqj s LEU 331 Ca 0.18 1.29 0.02 0.00 -0.22 0.00 0.00 54.13 55.40 1aqj s LEU 331 Cb -0.02 -3.04 0.01 0.00 0.50 0.00 0.00 46.19 43.65 1aqj s LEU 331 CO 0.13 0.11 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.41 1aqj s VAL 332 N -0.34 1.62 -0.05 1.68 1.01 0.28 -1.35 120.40 123.25 1aqj s VAL 332 Ca 0.33 -0.72 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1aqj s VAL 332 Cb -0.19 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 1aqj s VAL 332 CO 0.20 0.47 -0.23 -0.69 0.00 0.00 0.00 175.10 174.84 1aqj s VAL 333 N 0.94 2.24 0.46 2.92 1.01 -0.81 -1.33 120.40 125.83 1aqj s VAL 333 Ca -0.07 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.75 1aqj s VAL 333 Cb -0.15 -1.82 -0.08 0.00 0.00 0.00 0.00 36.38 34.33 1aqj s VAL 333 CO -0.02 0.57 0.90 0.00 0.00 0.00 0.00 175.10 176.56 1aqj s ALA 334 N -0.32 3.16 0.00 5.51 0.00 -0.52 -0.55 121.76 129.04 1aqj s ALA 334 Ca 0.01 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.06 1aqj s ALA 334 Cb -0.13 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1aqj s ALA 334 CO 0.02 -0.08 0.18 -2.39 0.00 0.00 0.00 175.76 173.49 1aqj n HIS 335 N -1.29 0.00 0.53 0.00 1.44 -1.26 -4.72 115.22 109.92 1aqj n HIS 335 Ca 0.05 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.88 1aqj n HIS 335 Cb 0.54 0.00 0.17 0.00 0.12 0.00 0.00 29.99 30.82 1aqj n HIS 335 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1aqj n THR 336 N -0.01 0.33 -1.27 0.61 -2.24 -1.26 -4.09 114.28 106.35 1aqj n THR 336 Ca 0.00 -0.66 -0.04 0.00 -2.27 0.00 0.00 64.05 61.08 1aqj n THR 336 Cb 0.15 1.16 0.22 0.00 -2.10 0.00 0.00 70.33 69.76 1aqj n THR 336 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1aqj n LYS 337 N 1.40 2.34 0.00 -0.78 5.02 -1.26 -5.07 118.16 119.81 1aqj n LYS 337 Ca 0.17 -3.07 0.00 0.00 -2.02 0.00 0.00 58.31 53.39 1aqj n LYS 337 Cb 0.59 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1aqj n LYS 337 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1aqj n GLY 338 N -0.89 -1.87 2.75 0.72 0.00 -1.23 -4.28 105.19 100.39 1aqj n GLY 338 Ca 0.35 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 1aqj n GLY 338 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aqj n THR 339 N 0.00 3.57 -3.79 2.61 -1.04 -1.26 -2.29 114.28 112.07 1aqj n THR 339 Ca 0.00 -3.20 -0.13 0.00 -2.04 0.00 0.00 64.05 58.69 1aqj n THR 339 Cb 0.00 -2.58 -0.10 0.00 -1.82 0.00 0.00 70.33 65.83 1aqj n THR 339 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1aqj s ARG 340 N 2.83 0.45 -0.35 -2.82 3.52 -1.26 -4.70 118.95 116.62 1aqj s ARG 340 Ca 0.46 0.07 -0.13 0.00 -0.13 0.00 0.00 55.73 56.00 1aqj s ARG 340 Cb 0.13 0.20 -0.01 0.00 -1.56 0.00 0.00 34.95 33.72 1aqj s ARG 340 CO -0.08 -0.09 0.24 0.08 -0.81 0.00 0.00 175.30 174.64 1aqj s VAL 341 N -0.57 5.18 -0.25 7.11 1.01 -1.26 -4.78 120.40 126.85 1aqj s VAL 341 Ca -0.07 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1aqj s VAL 341 Cb -0.04 -3.69 0.06 0.00 0.00 0.00 0.00 36.38 32.71 1aqj s VAL 341 CO 0.02 -0.04 -0.08 -0.69 0.00 0.00 0.00 175.10 174.31 1aqj s VAL 342 N 1.70 1.81 0.09 2.92 1.01 -1.26 -4.56 120.40 122.11 1aqj s VAL 342 Ca 0.06 -1.41 0.10 0.00 0.00 0.00 0.00 61.98 60.73 1aqj s VAL 342 Cb -0.18 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 1aqj s VAL 342 CO 0.10 -0.07 -0.26 0.00 0.00 0.00 0.00 175.10 174.87 1aqj s ALA 343 N 1.27 2.24 0.03 5.51 0.00 -1.26 -1.44 121.76 128.11 1aqj s ALA 343 Ca -0.07 -1.35 -0.18 0.00 0.00 0.00 0.00 51.96 50.36 1aqj s ALA 343 Cb -0.19 -0.40 0.03 0.00 0.00 0.00 0.00 23.12 22.56 1aqj s ALA 343 CO -0.06 0.51 0.40 0.00 0.00 0.00 0.00 175.76 176.61 1aqj s ALA 344 N -0.96 -0.96 -0.28 0.00 0.00 -0.44 -1.34 121.76 117.78 1aqj s ALA 344 Ca 0.12 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.27 1aqj s ALA 344 Cb -0.10 0.30 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 1aqj s ALA 344 CO 0.04 -0.43 0.22 -0.46 0.00 0.00 0.00 175.76 175.14 1aqj s TRP 345 N -2.32 3.23 -1.16 0.00 -0.11 -1.26 -0.56 118.94 116.76 1aqj s TRP 345 Ca -0.06 0.18 -0.18 0.00 1.22 0.00 0.00 56.10 57.26 1aqj s TRP 345 Cb -0.01 -2.41 0.11 0.00 -1.50 0.00 0.00 33.47 29.65 1aqj s TRP 345 CO -0.01 -0.16 1.49 0.34 -4.62 0.00 0.00 176.95 173.99 1aqj s ASP 346 N 1.69 6.81 0.39 5.86 2.15 0.20 -4.80 116.67 128.97 1aqj s ASP 346 Ca 0.09 -2.36 0.07 0.00 0.43 0.00 0.00 52.55 50.78 1aqj s ASP 346 Cb -0.16 -2.49 0.80 0.00 -0.30 0.00 0.00 42.92 40.77 1aqj s ASP 346 CO 0.10 -1.09 1.98 1.05 -0.17 0.00 0.00 175.17 177.05 1aqj h GLU 347 N 8.08 0.44 0.00 4.34 4.11 -1.94 -2.77 114.58 126.84 1aqj h GLU 347 Ca 0.31 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.69 1aqj h GLU 347 Cb 0.92 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1aqj h GLU 347 CO 1.33 0.39 -0.58 0.00 0.07 0.00 0.00 179.01 180.22 1aqj h ARG 348 N 0.44 0.00 -4.88 1.06 3.08 -1.97 -3.43 114.38 108.67 1aqj h ARG 348 Ca 0.11 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.99 1aqj h ARG 348 Cb 0.14 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.33 1aqj h ARG 348 CO -0.01 0.00 -0.59 0.00 -1.07 0.00 0.00 179.97 178.31 1aqj n ALA 349 N -2.02 -2.06 -2.26 0.04 0.00 -1.07 -4.88 120.51 108.24 1aqj n ALA 349 Ca 0.02 0.10 -0.26 0.00 0.00 0.00 0.00 53.44 53.30 1aqj n ALA 349 Cb 0.50 -4.20 0.01 0.00 0.00 0.00 0.00 19.45 15.76 1aqj n ALA 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1aqj s TYR 350 N -3.27 3.43 0.20 0.00 1.51 -1.26 -4.71 117.35 113.24 1aqj s TYR 350 Ca 0.31 0.64 -0.30 0.00 -1.01 0.00 0.00 57.07 56.71 1aqj s TYR 350 Cb -0.04 -2.38 -0.08 0.00 -0.11 0.00 0.00 41.96 39.35 1aqj s TYR 350 CO 0.57 -0.40 0.97 -1.25 -1.11 0.00 0.00 175.55 174.34 1aqj s PRO 351 N -4.74 4.77 0.13 -1.71 0.04 -1.26 -4.95 135.00 127.28 1aqj s PRO 351 Ca 0.49 1.52 0.11 0.00 0.04 0.00 0.00 61.00 63.16 1aqj s PRO 351 Cb -0.10 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 1aqj s PRO 351 CO 0.43 0.36 -0.25 -1.58 0.04 0.00 0.00 177.00 176.00 1aqj s TRP 352 N -0.72 2.36 -1.53 0.56 0.52 -1.26 -0.72 118.94 118.14 1aqj s TRP 352 Ca 0.44 -0.35 0.22 0.00 0.02 0.00 0.00 56.10 56.43 1aqj s TRP 352 Cb -0.26 -1.26 -0.04 0.00 -1.15 0.00 0.00 33.47 30.76 1aqj s TRP 352 CO 0.32 0.36 1.05 -2.13 0.02 0.00 0.00 176.95 176.57 1aqj n ARG 353 N 0.83 0.62 -0.43 4.98 0.63 0.39 -4.21 116.66 119.46 1aqj n ARG 353 Ca -0.17 -0.50 0.00 0.00 -0.92 0.00 0.00 57.85 56.26 1aqj n ARG 353 Cb 0.53 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.95 1aqj n ARG 353 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 1aqj n GLU 354 N -0.75 0.00 -0.41 -0.14 0.28 -1.26 -4.60 120.64 113.75 1aqj n GLU 354 Ca 0.07 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.12 1aqj n GLU 354 Cb 0.40 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.25 1aqj n GLU 354 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1aqj n GLU 355 N 0.00 -0.84 -3.44 3.44 -0.58 -1.26 -4.65 120.64 113.30 1aqj n GLU 355 Ca 0.00 0.58 -0.38 0.00 -0.42 0.00 0.00 57.16 56.94 1aqj n GLU 355 Cb 0.00 -1.02 -0.06 0.00 -0.57 0.00 0.00 31.44 29.79 1aqj n GLU 355 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1aqj s PHE 356 N -1.64 3.63 -0.23 -0.32 0.08 0.29 -4.13 117.98 115.66 1aqj s PHE 356 Ca 0.00 0.92 0.00 0.00 0.12 0.00 0.00 56.93 57.98 1aqj s PHE 356 Cb 0.00 -2.38 0.03 0.00 -0.57 0.00 0.00 43.02 40.10 1aqj s PHE 356 CO 0.00 0.45 -0.12 -1.01 -0.10 0.00 0.00 175.22 174.44 1aqj s HIS 357 N -0.37 3.01 -0.29 0.36 3.76 0.20 -1.93 115.29 120.02 1aqj s HIS 357 Ca 0.24 -1.73 -0.11 0.00 -0.15 0.00 0.00 55.06 53.30 1aqj s HIS 357 Cb -0.16 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 1aqj s HIS 357 CO 0.11 -0.78 0.20 -0.51 -0.85 0.00 0.00 174.74 172.91 1aqj s LEU 358 N 1.27 4.09 -0.15 0.89 1.43 -0.46 0.60 118.68 126.35 1aqj s LEU 358 Ca 0.00 -0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 52.99 1aqj s LEU 358 Cb -0.16 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 1aqj s LEU 358 CO -0.07 -0.08 -0.07 -0.76 0.23 0.00 0.00 176.35 175.59 1aqj s LEU 359 N 1.75 3.02 0.59 1.79 2.01 -0.14 -3.15 118.68 124.55 1aqj s LEU 359 Ca 0.07 -0.23 -0.20 0.00 0.01 0.00 0.00 54.13 53.78 1aqj s LEU 359 Cb -0.16 -1.71 -0.03 0.00 0.01 0.00 0.00 46.19 44.29 1aqj s LEU 359 CO 0.11 0.15 1.34 -2.84 1.01 0.00 0.00 176.35 176.12 1aqj s PRO 360 N 0.46 2.90 0.52 1.29 0.02 -1.26 0.13 135.00 139.05 1aqj s PRO 360 Ca -0.06 2.20 -0.08 0.00 0.02 0.00 0.00 61.00 63.08 1aqj s PRO 360 Cb -0.15 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.23 1aqj s PRO 360 CO 0.04 -1.37 0.87 0.15 -0.33 0.00 0.00 177.00 176.36 1aqj s LYS 361 N -3.09 3.61 0.15 5.54 1.02 0.12 -4.70 119.74 122.39 1aqj s LYS 361 Ca 0.76 0.45 -0.31 0.00 0.02 0.00 0.00 55.97 56.89 1aqj s LYS 361 Cb -0.40 -2.27 -0.10 0.00 -0.52 0.00 0.00 37.83 34.54 1aqj s LYS 361 CO 0.45 -0.30 1.72 -2.00 -0.92 0.00 0.00 175.35 174.31 1aqj s GLU 362 N -4.73 4.16 0.00 1.68 2.12 -1.26 -1.78 118.70 118.88 1aqj s GLU 362 Ca 0.51 2.51 0.00 0.00 0.36 0.00 0.00 54.97 58.35 1aqj s GLU 362 Cb -0.10 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 30.91 1aqj s GLU 362 CO 0.45 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 1aqj n GLY 363 N 4.04 0.74 3.56 -1.50 0.00 -1.26 -4.91 105.19 105.85 1aqj n GLY 363 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1aqj n GLY 363 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aqj s VAL 364 N -2.38 5.25 -0.09 1.61 1.01 -0.74 0.70 120.40 125.77 1aqj s VAL 364 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1aqj s VAL 364 Cb 0.00 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1aqj s VAL 364 CO 0.00 0.14 0.01 -0.60 0.00 0.00 0.00 175.10 174.66 1aqj s ARG 365 N 1.74 3.04 0.16 2.72 6.06 -0.65 -4.83 118.95 127.18 1aqj s ARG 365 Ca 0.07 -0.39 -0.15 0.00 -2.50 0.00 0.00 55.73 52.75 1aqj s ARG 365 Cb -0.17 -2.83 0.02 0.00 0.06 0.00 0.00 34.95 32.04 1aqj s ARG 365 CO 0.10 0.69 0.42 -0.48 -2.50 0.00 0.00 175.30 173.54 1aqj s LEU 366 N -0.85 0.39 -0.52 -0.88 0.05 -1.26 -1.58 118.68 114.03 1aqj s LEU 366 Ca 0.13 -0.48 -0.08 0.00 0.05 0.00 0.00 54.13 53.75 1aqj s LEU 366 Cb -0.11 1.84 0.13 0.00 -2.05 0.00 0.00 46.19 46.00 1aqj s LEU 366 CO 0.02 -0.93 0.38 -0.62 -0.55 0.00 0.00 176.35 174.65 1aqj s ASP 367 N -2.86 5.69 0.25 1.48 -1.08 -0.65 -4.98 116.67 114.52 1aqj s ASP 367 Ca 0.08 -2.14 -0.06 0.00 -0.52 0.00 0.00 52.55 49.91 1aqj s ASP 367 Cb 0.01 -1.99 0.45 0.00 -1.46 0.00 0.00 42.92 39.93 1aqj s ASP 367 CO -0.07 -0.62 1.65 -0.65 0.52 0.00 0.00 175.17 176.00 1aqj h PRO 368 N 8.14 0.15 -0.78 4.34 0.11 -2.00 -2.07 132.00 139.90 1aqj h PRO 368 Ca -0.15 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.98 1aqj h PRO 368 Cb 1.05 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 1aqj h PRO 368 CO 0.81 0.10 0.50 0.66 -0.21 0.00 0.00 178.00 179.86 1aqj h SER 369 N 0.15 0.83 -0.08 -2.05 4.64 -2.00 -1.90 113.55 113.14 1aqj h SER 369 Ca 0.42 -0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.53 1aqj h SER 369 Cb 0.73 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1aqj h SER 369 CO -0.61 0.57 -0.70 0.28 -0.87 0.00 0.00 176.83 175.50 1aqj h SER 370 N 0.97 0.83 0.71 4.97 0.02 -1.88 -2.66 113.55 116.51 1aqj h SER 370 Ca 0.31 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.71 1aqj h SER 370 Cb -0.00 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1aqj h SER 370 CO -0.11 1.30 -0.50 0.25 -1.14 0.00 0.00 176.83 176.63 1aqj h LEU 371 N 0.51 -1.31 -0.43 5.07 6.46 -1.08 -0.37 115.31 124.16 1aqj h LEU 371 Ca -0.03 0.08 0.09 0.00 -0.12 0.00 0.00 57.88 57.90 1aqj h LEU 371 Cb 1.31 0.40 -0.09 0.00 -0.73 0.00 0.00 40.66 41.55 1aqj h LEU 371 CO 0.14 -0.74 -0.14 0.58 -0.62 0.00 0.00 178.44 177.67 1aqj h VAL 372 N -1.16 0.51 -0.67 1.05 2.07 -1.42 0.14 116.25 116.77 1aqj h VAL 372 Ca -0.09 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.52 1aqj h VAL 372 Cb 0.95 0.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1aqj h VAL 372 CO 0.05 0.00 0.30 -0.61 0.02 0.00 0.00 177.57 177.33 1aqj h GLN 373 N -0.04 0.50 0.14 1.57 4.15 -1.33 -1.04 115.11 119.06 1aqj h GLN 373 Ca 0.21 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1aqj h GLN 373 Cb 0.36 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1aqj h GLN 373 CO -0.46 0.33 -0.07 2.35 -1.93 0.00 0.00 178.83 179.05 1aqj h TRP 374 N 0.52 -0.18 -0.49 3.99 -0.00 0.76 -2.27 115.95 118.28 1aqj h TRP 374 Ca 0.33 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 59.21 1aqj h TRP 374 Cb 0.38 0.06 -0.02 0.00 -0.00 0.00 0.00 29.16 29.57 1aqj h TRP 374 CO -0.13 -0.06 0.25 -0.07 -0.00 0.00 0.00 178.44 178.44 1aqj h LEU 375 N -0.25 0.60 -0.83 0.65 3.38 -0.24 -2.20 115.31 116.41 1aqj h LEU 375 Ca -0.02 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1aqj h LEU 375 Cb 0.20 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1aqj h LEU 375 CO 0.03 0.49 -0.01 0.59 0.09 0.00 0.00 178.44 179.64 1aqj n ASN 376 N -4.40 1.30 -4.76 -0.43 3.02 -0.45 -4.72 115.26 104.82 1aqj n ASN 376 Ca 0.04 -1.41 -0.32 0.00 -0.03 0.00 0.00 54.58 52.85 1aqj n ASN 376 Cb 0.11 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.36 1aqj n ASN 376 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1aqj s SER 377 N -2.02 4.58 0.36 6.41 1.04 -0.83 -4.87 113.70 118.38 1aqj s SER 377 Ca 0.39 1.97 0.04 0.00 0.48 0.00 0.00 55.95 58.83 1aqj s SER 377 Cb 0.21 -2.54 0.69 0.00 0.10 0.00 0.00 66.02 64.48 1aqj s SER 377 CO 0.35 -1.99 2.01 -0.33 0.98 0.00 0.00 173.24 174.25 1aqj h GLU 378 N -0.66 0.77 -0.19 4.02 5.08 -1.90 -0.74 114.58 120.96 1aqj h GLU 378 Ca -0.45 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 57.77 1aqj h GLU 378 Cb 1.25 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1aqj h GLU 378 CO 0.51 0.51 -0.29 0.00 -1.00 0.00 0.00 179.01 178.75 1aqj h ALA 379 N 1.62 1.16 -0.24 3.43 0.00 -1.92 -1.77 119.26 121.54 1aqj h ALA 379 Ca 0.24 -0.35 -0.20 0.00 0.00 0.00 0.00 54.91 54.60 1aqj h ALA 379 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1aqj h ALA 379 CO -0.06 0.54 -0.63 1.98 0.00 0.00 0.00 179.25 181.08 1aqj h MET 380 N 0.32 0.86 -0.33 0.00 1.85 -1.41 -2.14 114.93 114.08 1aqj h MET 380 Ca 0.05 -0.60 -0.01 0.00 -0.61 0.00 0.00 59.70 58.53 1aqj h MET 380 Cb 0.67 0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.78 1aqj h MET 380 CO 0.05 1.22 0.18 1.96 -0.40 0.00 0.00 176.91 179.92 1aqj h GLN 381 N 0.63 0.46 -0.75 0.39 1.08 -1.07 -1.63 115.11 114.21 1aqj h GLN 381 Ca -0.01 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 1aqj h GLN 381 Cb 1.25 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 28.56 1aqj h GLN 381 CO 0.14 0.38 0.33 -0.22 -0.95 0.00 0.00 178.83 178.50 1aqj h LYS 382 N 0.41 1.11 0.10 1.46 3.64 -1.33 0.32 116.57 122.27 1aqj h LYS 382 Ca 0.12 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1aqj h LYS 382 Cb 0.05 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1aqj h LYS 382 CO -0.02 0.89 -0.15 1.25 -2.27 0.00 0.00 179.45 179.14 1aqj h HIS 383 N 1.07 -0.40 -0.70 1.91 2.76 -1.08 0.32 115.15 119.03 1aqj h HIS 383 Ca 0.25 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.37 1aqj h HIS 383 Cb 0.17 0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.27 1aqj h HIS 383 CO 0.01 -0.23 0.19 0.28 -1.30 0.00 0.00 177.93 176.88 1aqj h VAL 384 N -0.31 1.26 -0.11 5.26 2.07 -1.02 -2.63 116.25 120.77 1aqj h VAL 384 Ca 0.02 -0.94 -0.18 0.00 0.82 0.00 0.00 66.70 66.43 1aqj h VAL 384 Cb 0.32 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1aqj h VAL 384 CO -0.08 0.36 -0.67 -0.09 0.02 0.00 0.00 177.57 177.11 1aqj h ARG 385 N 1.05 0.46 -0.20 1.57 2.43 -0.64 -2.11 114.38 116.94 1aqj h ARG 385 Ca 0.22 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1aqj h ARG 385 Cb 0.34 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1aqj h ARG 385 CO -0.00 0.97 0.07 1.15 -1.51 0.00 0.00 179.97 180.65 1aqj h THR 386 N 0.33 1.18 0.41 0.20 2.02 -0.28 -2.25 112.91 114.52 1aqj h THR 386 Ca -0.02 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.58 1aqj h THR 386 Cb 1.24 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1aqj h THR 386 CO 0.12 0.18 -0.19 -0.07 0.37 0.00 0.00 175.52 175.92 1aqj h LEU 387 N 0.16 -0.46 -1.79 2.58 3.38 -1.48 -3.38 115.31 114.31 1aqj h LEU 387 Ca 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1aqj h LEU 387 Cb 0.21 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1aqj h LEU 387 CO -0.00 -0.10 0.00 -1.22 0.09 0.00 0.00 178.44 177.21 1aqj n TYR 388 N -5.20 0.03 0.00 1.13 4.01 -0.80 -1.40 117.16 114.94 1aqj n TYR 388 Ca -0.10 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 1aqj n TYR 388 Cb 0.29 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1aqj n TYR 388 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1aqj n ARG 389 N 1.09 0.00 -0.50 -0.72 1.74 -0.84 -2.01 116.66 115.42 1aqj n ARG 389 Ca 0.12 0.00 0.07 0.00 -0.77 0.00 0.00 57.85 57.26 1aqj n ARG 389 Cb 0.49 0.00 0.20 0.00 -1.02 0.00 0.00 32.46 32.12 1aqj n ARG 389 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1aqj n ASP 390 N 1.56 1.83 -0.27 0.55 5.68 -1.26 -4.79 116.55 119.85 1aqj n ASP 390 Ca 0.00 -3.76 0.08 0.00 -0.50 0.00 0.00 54.79 50.61 1aqj n ASP 390 Cb 0.00 -0.51 0.22 0.00 -1.14 0.00 0.00 41.12 39.69 1aqj n ASP 390 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1aqj h PHE 391 N 0.82 0.53 -3.31 2.11 0.04 -1.76 -3.42 116.94 111.95 1aqj h PHE 391 Ca 0.00 0.04 -0.41 0.00 2.80 0.00 0.00 57.97 60.40 1aqj h PHE 391 Cb 1.00 -0.11 -0.16 0.00 2.20 0.00 0.00 35.95 38.88 1aqj h PHE 391 CO 0.62 0.02 -0.74 0.14 -0.60 0.00 0.00 178.31 177.75 1aqj s VAL 392 N -5.98 1.44 -0.42 -0.55 -7.23 -1.26 -3.77 120.40 102.63 1aqj s VAL 392 Ca -0.12 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.12 1aqj s VAL 392 Cb 0.22 -1.78 0.26 0.00 0.56 0.00 0.00 36.38 35.64 1aqj s VAL 392 CO 0.77 -0.55 1.16 -0.81 -0.31 0.00 0.00 175.10 175.35 1aqj n PRO 393 N 0.06 1.87 -3.60 4.82 -0.04 -1.26 -4.60 135.00 132.26 1aqj n PRO 393 Ca -0.12 -1.09 -0.03 0.00 -0.04 0.00 0.00 63.50 62.21 1aqj n PRO 393 Cb 0.59 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 1aqj n PRO 393 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1aqj s HIS 394 N -1.38 -0.14 -0.16 0.54 -3.43 -1.26 -3.56 115.29 105.90 1aqj s HIS 394 Ca 0.20 0.04 -0.28 0.00 -0.80 0.00 0.00 55.06 54.22 1aqj s HIS 394 Cb 0.16 0.54 -0.01 0.00 -1.43 0.00 0.00 32.58 31.84 1aqj s HIS 394 CO 0.05 -0.33 0.96 -1.17 -2.00 0.00 0.00 174.74 172.24 1aqj s LEU 395 N -2.51 4.18 0.38 5.38 2.96 -0.97 -4.56 118.68 123.55 1aqj s LEU 395 Ca 0.10 1.37 0.04 0.00 -0.22 0.00 0.00 54.13 55.42 1aqj s LEU 395 Cb 0.01 -3.44 -0.00 0.00 0.50 0.00 0.00 46.19 43.25 1aqj s LEU 395 CO -0.05 -0.49 0.55 0.42 -1.32 0.00 0.00 176.35 175.46 1aqj s THR 396 N 2.38 3.97 0.16 3.68 -4.23 -1.26 -4.70 115.64 115.64 1aqj s THR 396 Ca 0.44 -0.82 -0.22 0.00 -1.18 0.00 0.00 61.69 59.91 1aqj s THR 396 Cb -0.17 -3.41 0.04 0.00 1.34 0.00 0.00 72.50 70.31 1aqj s THR 396 CO 0.13 -0.21 1.62 0.25 -0.54 0.00 0.00 174.62 175.88 1aqj h LEU 397 N 0.69 -0.83 -0.85 4.79 5.85 -1.98 0.31 115.31 123.30 1aqj h LEU 397 Ca -0.46 0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.53 1aqj h LEU 397 Cb 1.26 0.39 -0.08 0.00 0.37 0.00 0.00 40.66 42.60 1aqj h LEU 397 CO 0.54 -0.28 0.47 0.03 -0.34 0.00 0.00 178.44 178.86 1aqj h ARG 398 N -0.24 0.72 -0.37 1.25 2.47 -1.95 0.55 114.38 116.81 1aqj h ARG 398 Ca 0.15 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.71 1aqj h ARG 398 Cb 0.47 -0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1aqj h ARG 398 CO -0.43 0.48 -0.24 0.52 0.56 0.00 0.00 179.97 180.86 1aqj h MET 399 N 0.74 0.82 0.66 0.04 2.86 -1.67 -3.27 114.93 115.11 1aqj h MET 399 Ca 0.43 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 1aqj h MET 399 Cb 0.48 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 32.14 1aqj h MET 399 CO -0.29 1.02 -0.32 1.25 1.06 0.00 0.00 176.91 179.63 1aqj h LEU 400 N 0.62 -0.75 -1.24 1.22 5.85 0.18 -3.22 115.31 117.97 1aqj h LEU 400 Ca 0.08 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1aqj h LEU 400 Cb 0.81 0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1aqj h LEU 400 CO 0.07 -0.50 0.42 1.05 -0.34 0.00 0.00 178.44 179.14 1aqj h GLU 401 N -0.97 0.00 -0.34 1.25 4.11 -0.12 -0.67 114.58 117.85 1aqj h GLU 401 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 1aqj h GLU 401 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1aqj h GLU 401 CO 0.15 0.00 0.00 2.89 0.07 0.00 0.00 179.01 182.12 1aqj n ARG 402 N -2.47 3.20 -2.39 1.06 1.85 -1.22 -0.43 116.66 116.26 1aqj n ARG 402 Ca -0.01 -2.75 -0.41 0.00 -1.00 0.00 0.00 57.85 53.68 1aqj n ARG 402 Cb 0.45 -1.80 -0.04 0.00 -1.05 0.00 0.00 32.46 30.02 1aqj n ARG 402 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1aqj s LEU 403 N -2.43 4.49 -0.09 2.89 1.43 -0.26 -4.75 118.68 119.96 1aqj s LEU 403 Ca 0.41 2.29 -0.28 0.00 -1.03 0.00 0.00 54.13 55.51 1aqj s LEU 403 Cb 0.31 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 1aqj s LEU 403 CO 0.12 -0.30 0.95 -2.16 0.23 0.00 0.00 176.35 175.19 1aqj s PRO 404 N -0.82 4.44 -0.15 1.29 0.04 -1.26 -0.45 135.00 138.09 1aqj s PRO 404 Ca 0.49 1.30 -0.08 0.00 0.04 0.00 0.00 61.00 62.75 1aqj s PRO 404 Cb -0.33 -3.52 -0.04 0.00 0.04 0.00 0.00 34.50 30.65 1aqj s PRO 404 CO 0.40 -0.22 0.14 0.08 0.04 0.00 0.00 177.00 177.44 1aqj s VAL 405 N 1.68 5.47 0.55 -0.36 1.01 0.15 -4.86 120.40 124.04 1aqj s VAL 405 Ca 0.47 0.21 -0.18 0.00 0.00 0.00 0.00 61.98 62.47 1aqj s VAL 405 Cb -0.19 -3.43 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 1aqj s VAL 405 CO 0.20 0.56 1.08 -0.13 0.00 0.00 0.00 175.10 176.81 1aqj s ARG 406 N -0.57 3.43 0.21 2.72 1.81 -1.26 -1.11 118.95 124.17 1aqj s ARG 406 Ca 0.13 1.41 -0.14 0.00 -1.72 0.00 0.00 55.73 55.41 1aqj s ARG 406 Cb -0.12 -2.04 0.23 0.00 -0.45 0.00 0.00 34.95 32.58 1aqj s ARG 406 CO 0.02 -0.74 1.62 0.00 -0.68 0.00 0.00 175.30 175.52 1aqj h ARG 407 N 1.02 -0.02 -0.93 3.54 2.47 -1.87 -2.88 114.38 115.71 1aqj h ARG 407 Ca -0.49 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1aqj h ARG 407 Cb 1.24 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1aqj h ARG 407 CO 0.57 -0.01 0.00 -0.85 0.56 0.00 0.00 179.97 180.25 1aqj n GLU 408 N -5.44 1.70 -0.01 0.04 0.00 -1.26 -4.22 120.64 111.45 1aqj n GLU 408 Ca 0.07 -0.57 -0.04 0.00 0.00 0.00 0.00 57.16 56.62 1aqj n GLU 408 Cb 0.34 -1.63 -0.01 0.00 0.00 0.00 0.00 31.44 30.14 1aqj n GLU 408 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1aqj n TYR 409 N 0.12 0.00 -4.59 -1.84 4.01 -1.09 -4.88 117.16 108.89 1aqj n TYR 409 Ca 0.05 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.57 1aqj n TYR 409 Cb 0.43 -0.20 -0.15 0.00 -0.31 0.00 0.00 39.34 39.11 1aqj n TYR 409 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1aqj s GLY 410 N -4.25 0.65 0.28 2.72 0.00 -1.26 -1.63 107.32 103.83 1aqj s GLY 410 Ca -0.12 -0.55 -0.10 0.00 0.00 0.00 0.00 44.72 43.96 1aqj s GLY 410 CO 0.17 -0.42 0.48 -0.11 0.00 0.00 0.00 173.10 173.23 1aqj s PHE 411 N -0.22 0.56 -0.17 1.90 -0.71 -0.61 -4.80 117.98 113.92 1aqj s PHE 411 Ca 0.03 -0.91 -0.10 0.00 -1.04 0.00 0.00 56.93 54.92 1aqj s PHE 411 Cb -0.06 0.13 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 1aqj s PHE 411 CO -0.00 -1.06 0.15 -1.01 -1.34 0.00 0.00 175.22 171.96 1aqj s HIS 412 N -3.65 3.47 -2.27 3.49 3.76 -1.26 -1.64 115.29 117.19 1aqj s HIS 412 Ca 0.25 0.41 0.30 0.00 -0.15 0.00 0.00 55.06 55.87 1aqj s HIS 412 Cb -0.01 -2.12 1.44 0.00 1.11 0.00 0.00 32.58 33.01 1aqj s HIS 412 CO 0.12 0.41 1.97 0.25 -0.85 0.00 0.00 174.74 176.64