#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqw n PRO 2 N 0.00 0.22 -4.24 0.52 -0.04 -1.25 -4.83 135.00 125.38 1aqw n PRO 2 Ca 0.00 0.12 -0.32 0.00 -0.04 0.00 0.00 63.50 63.26 1aqw n PRO 2 Cb 0.00 -1.69 -0.09 0.00 -0.04 0.00 0.00 33.50 31.68 1aqw n PRO 2 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1aqw s TYR 3 N -3.11 3.03 -0.04 0.54 2.02 -1.25 -2.54 117.35 115.99 1aqw s TYR 3 Ca 0.09 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 56.84 1aqw s TYR 3 Cb 0.14 -1.62 0.02 0.00 -0.40 0.00 0.00 41.96 40.10 1aqw s TYR 3 CO 0.65 0.46 -0.05 0.99 -1.57 0.00 0.00 175.55 176.03 1aqw s THR 4 N -1.16 0.60 -0.22 -0.71 2.01 -0.54 -0.82 115.64 114.79 1aqw s THR 4 Ca 0.22 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.00 1aqw s THR 4 Cb -0.12 -0.60 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 1aqw s THR 4 CO 0.13 0.23 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.57 1aqw s VAL 5 N 0.79 3.49 -0.32 3.82 1.01 0.21 -1.36 120.40 128.05 1aqw s VAL 5 Ca -0.11 -0.45 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 1aqw s VAL 5 Cb -0.14 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.67 1aqw s VAL 5 CO 0.01 0.42 0.12 -0.69 0.00 0.00 0.00 175.10 174.95 1aqw s VAL 6 N 1.44 4.10 0.37 2.92 1.01 0.02 -0.02 120.40 130.25 1aqw s VAL 6 Ca 0.05 -0.81 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 1aqw s VAL 6 Cb -0.14 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 33.07 1aqw s VAL 6 CO -0.02 -0.05 0.72 -0.47 0.00 0.00 0.00 175.10 175.27 1aqw s TYR 7 N 1.50 0.32 0.58 5.22 5.04 -1.02 -1.60 117.35 127.39 1aqw s TYR 7 Ca 0.02 -0.89 -0.09 0.00 -2.44 0.00 0.00 57.07 53.66 1aqw s TYR 7 Cb -0.18 0.63 -0.03 0.00 0.35 0.00 0.00 41.96 42.73 1aqw s TYR 7 CO 0.04 -1.47 0.96 -0.06 -1.34 0.00 0.00 175.55 173.68 1aqw s PHE 8 N -2.53 3.58 -1.11 4.97 0.08 -1.26 -0.56 117.98 121.16 1aqw s PHE 8 Ca 0.19 1.12 -0.16 0.00 0.12 0.00 0.00 56.93 58.19 1aqw s PHE 8 Cb -0.04 -2.62 -0.07 0.00 -0.57 0.00 0.00 43.02 39.73 1aqw s PHE 8 CO 0.13 -0.60 2.15 -0.35 -0.10 0.00 0.00 175.22 176.45 1aqw n PRO 9 N -2.61 2.25 -3.93 0.24 -0.04 -1.25 -4.79 135.00 124.86 1aqw n PRO 9 Ca 0.04 -2.10 -0.09 0.00 -0.04 0.00 0.00 63.50 61.31 1aqw n PRO 9 Cb 0.55 -2.98 -0.07 0.00 -0.04 0.00 0.00 33.50 30.95 1aqw n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1aqw s VAL 10 N 3.91 0.08 -0.04 0.52 -7.23 -1.26 -4.45 120.40 111.93 1aqw s VAL 10 Ca 0.53 -1.32 -0.08 0.00 -1.81 0.00 0.00 61.98 59.29 1aqw s VAL 10 Cb 0.14 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1aqw s VAL 10 CO 0.01 -0.37 0.42 0.03 -0.31 0.00 0.00 175.10 174.87 1aqw h ARG 11 N 2.58 -0.27 0.00 4.82 3.08 -1.15 -3.46 114.38 119.99 1aqw h ARG 11 Ca -0.32 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1aqw h ARG 11 Cb 1.22 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1aqw h ARG 11 CO 0.50 -0.18 0.00 0.41 -1.07 0.00 0.00 179.97 179.63 1aqw n GLY 12 N 0.85 2.34 0.24 0.04 0.00 -0.11 -1.33 105.19 107.22 1aqw n GLY 12 Ca -0.04 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.16 1aqw n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqw n ARG 13 N 13.63 1.30 0.00 1.61 1.74 -1.26 -3.40 116.66 130.27 1aqw n ARG 13 Ca 0.00 -0.47 0.05 0.00 -0.77 0.00 0.00 57.85 56.66 1aqw n ARG 13 Cb 0.00 -1.21 -0.05 0.00 -1.02 0.00 0.00 32.46 30.19 1aqw n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aqw h ALA 15 N 1.53 0.44 -0.77 0.00 0.00 -1.39 -1.76 119.26 117.31 1aqw h ALA 15 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1aqw h ALA 15 Cb 0.27 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1aqw h ALA 15 CO 0.00 -0.14 0.43 0.00 0.00 0.00 0.00 179.25 179.55 1aqw h ALA 16 N 1.15 0.99 -0.07 0.00 0.00 -1.83 -1.33 119.26 118.17 1aqw h ALA 16 Ca 0.14 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1aqw h ALA 16 Cb -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1aqw h ALA 16 CO -0.06 0.49 -0.55 1.37 0.00 0.00 0.00 179.25 180.49 1aqw h LEU 17 N 1.06 0.22 -0.55 0.00 8.10 -1.78 -1.77 115.31 120.59 1aqw h LEU 17 Ca 0.27 -0.12 -0.10 0.00 0.11 0.00 0.00 57.88 58.04 1aqw h LEU 17 Cb 0.01 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 40.15 1aqw h LEU 17 CO -0.05 0.73 -0.06 0.03 -4.11 0.00 0.00 178.44 174.99 1aqw h ARG 18 N 0.15 1.01 -0.69 0.17 3.08 -0.94 -0.77 114.38 116.40 1aqw h ARG 18 Ca -0.00 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 59.68 1aqw h ARG 18 Cb 1.02 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 1aqw h ARG 18 CO 0.08 1.04 0.37 0.52 -1.07 0.00 0.00 179.97 180.91 1aqw h MET 19 N 0.89 0.96 -0.06 0.04 2.86 -1.01 -0.10 114.93 118.51 1aqw h MET 19 Ca 0.15 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 1aqw h MET 19 Cb 0.62 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1aqw h MET 19 CO 0.04 0.73 0.03 1.25 1.06 0.00 0.00 176.91 180.02 1aqw h LEU 20 N 0.94 0.08 -0.08 1.22 6.46 -0.97 -0.02 115.31 122.95 1aqw h LEU 20 Ca 0.24 -0.12 0.01 0.00 -0.12 0.00 0.00 57.88 57.89 1aqw h LEU 20 Cb 0.06 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 39.96 1aqw h LEU 20 CO -0.04 0.17 0.03 -0.07 -0.62 0.00 0.00 178.44 177.91 1aqw h LEU 21 N -0.03 0.04 0.03 2.25 3.38 -0.90 -0.63 115.31 119.44 1aqw h LEU 21 Ca 0.02 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1aqw h LEU 21 Cb 0.12 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1aqw h LEU 21 CO -0.00 0.04 -0.11 0.00 0.09 0.00 0.00 178.44 178.46 1aqw h ALA 22 N 1.04 -0.14 -0.02 1.53 0.00 -0.93 0.03 119.26 120.78 1aqw h ALA 22 Ca 0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1aqw h ALA 22 Cb 0.01 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1aqw h ALA 22 CO -0.03 -0.61 -0.19 0.22 0.00 0.00 0.00 179.25 178.65 1aqw h ASP 23 N -0.20 0.03 -0.07 0.00 3.58 -0.90 -1.32 116.42 117.54 1aqw h ASP 23 Ca 0.03 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1aqw h ASP 23 Cb 0.23 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1aqw h ASP 23 CO -0.09 0.22 0.00 0.00 -2.88 0.00 0.00 179.24 176.49 1aqw n GLN 24 N -4.30 1.51 -2.62 0.28 1.13 -0.25 -4.86 117.38 108.26 1aqw n GLN 24 Ca -0.02 -0.76 -0.15 0.00 -1.94 0.00 0.00 57.00 54.13 1aqw n GLN 24 Cb 0.26 -1.42 0.02 0.00 0.11 0.00 0.00 30.24 29.20 1aqw n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aqw n GLY 25 N 1.08 -0.15 3.88 1.08 0.00 -0.50 -5.01 105.19 105.57 1aqw n GLY 25 Ca 0.18 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 1aqw n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aqw s GLN 26 N -5.14 3.54 -0.09 1.61 -1.52 -0.06 -5.04 119.66 112.97 1aqw s GLN 26 Ca 0.14 -0.09 -0.10 0.00 -1.95 0.00 0.00 55.36 53.36 1aqw s GLN 26 Cb -0.06 -3.13 -0.05 0.00 -0.22 0.00 0.00 33.01 29.55 1aqw s GLN 26 CO 0.18 0.69 0.24 -1.54 -0.25 0.00 0.00 175.29 174.61 1aqw s SER 27 N -1.49 6.52 0.09 5.90 1.04 -1.26 -4.45 113.70 120.05 1aqw s SER 27 Ca 0.24 0.62 -0.09 0.00 0.48 0.00 0.00 55.95 57.20 1aqw s SER 27 Cb -0.13 -2.14 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1aqw s SER 27 CO 0.13 0.35 0.20 -1.66 0.98 0.00 0.00 173.24 173.24 1aqw s TRP 28 N -0.88 0.13 -0.13 5.02 -2.14 -1.26 -3.75 118.94 115.93 1aqw s TRP 28 Ca 0.18 -0.55 -0.02 0.00 2.66 0.00 0.00 56.10 58.37 1aqw s TRP 28 Cb -0.14 -0.04 -0.03 0.00 -3.10 0.00 0.00 33.47 30.17 1aqw s TRP 28 CO 0.07 -0.55 -0.07 0.21 -2.66 0.00 0.00 176.95 173.95 1aqw s LYS 29 N -3.86 3.36 -0.20 3.25 2.47 -0.00 -5.00 119.74 119.76 1aqw s LYS 29 Ca 0.05 -0.56 -0.12 0.00 -1.56 0.00 0.00 55.97 53.78 1aqw s LYS 29 Cb 0.05 -2.76 -0.05 0.00 -1.46 0.00 0.00 37.83 33.61 1aqw s LYS 29 CO -0.11 0.35 0.21 -1.21 0.16 0.00 0.00 175.35 174.75 1aqw s GLU 30 N 0.04 4.19 -0.50 4.03 0.41 -1.26 -0.62 118.70 124.98 1aqw s GLU 30 Ca -0.01 -0.09 -0.02 0.00 -0.41 0.00 0.00 54.97 54.43 1aqw s GLU 30 Cb -0.14 -3.46 0.13 0.00 -1.78 0.00 0.00 34.13 28.89 1aqw s GLU 30 CO 0.03 0.20 0.30 -2.00 -0.49 0.00 0.00 175.26 173.30 1aqw s GLU 31 N 0.63 2.23 0.16 1.61 2.56 0.98 -4.94 118.70 121.92 1aqw s GLU 31 Ca 0.12 -2.16 -0.30 0.00 0.00 0.00 0.00 54.97 52.63 1aqw s GLU 31 Cb -0.12 -3.63 -0.07 0.00 2.00 0.00 0.00 34.13 32.31 1aqw s GLU 31 CO 0.02 -1.12 1.08 0.08 -0.56 0.00 0.00 175.26 174.77 1aqw s VAL 32 N 0.57 3.98 -0.18 3.70 1.01 -1.26 -2.44 120.40 125.78 1aqw s VAL 32 Ca 0.12 1.68 -0.02 0.00 0.00 0.00 0.00 61.98 63.77 1aqw s VAL 32 Cb -0.22 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1aqw s VAL 32 CO -0.04 0.28 -0.10 -0.69 0.00 0.00 0.00 175.10 174.55 1aqw s VAL 33 N -0.13 3.03 0.32 2.92 1.01 0.28 -4.94 120.40 122.89 1aqw s VAL 33 Ca 0.49 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 1aqw s VAL 33 Cb -0.28 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 1aqw s VAL 33 CO 0.34 0.48 0.65 0.42 0.00 0.00 0.00 175.10 176.99 1aqw s THR 34 N 1.00 4.89 0.41 3.92 -4.23 -1.26 -3.85 115.64 116.52 1aqw s THR 34 Ca -0.01 0.40 0.19 0.00 -1.18 0.00 0.00 61.69 61.09 1aqw s THR 34 Cb -0.15 -3.70 0.39 0.00 1.34 0.00 0.00 72.50 70.38 1aqw s THR 34 CO -0.01 -0.34 1.79 0.58 -0.54 0.00 0.00 174.62 176.09 1aqw h VAL 35 N 1.42 0.55 0.02 2.29 2.07 -1.99 0.40 116.25 121.00 1aqw h VAL 35 Ca -0.47 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1aqw h VAL 35 Cb 1.18 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1aqw h VAL 35 CO 0.66 0.07 -0.01 -0.33 0.02 0.00 0.00 177.57 177.98 1aqw h GLU 36 N 0.39 -0.02 -0.94 1.57 5.08 -1.98 0.18 114.58 118.86 1aqw h GLU 36 Ca 0.57 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 59.00 1aqw h GLU 36 Cb 1.46 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.65 1aqw h GLU 36 CO -0.26 0.26 0.61 1.15 -1.00 0.00 0.00 179.01 179.76 1aqw h THR 37 N -0.31 1.05 -0.07 1.13 2.02 -1.35 -1.88 112.91 113.51 1aqw h THR 37 Ca -0.00 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1aqw h THR 37 Cb 0.29 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.61 1aqw h THR 37 CO 0.00 0.19 -0.01 -0.25 0.37 0.00 0.00 175.52 175.82 1aqw h TRP 38 N 1.05 0.14 -0.01 3.16 -0.00 -1.12 -3.07 115.95 116.11 1aqw h TRP 38 Ca 0.41 -0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.27 1aqw h TRP 38 Cb 0.23 -0.04 -0.00 0.00 -0.00 0.00 0.00 29.16 29.35 1aqw h TRP 38 CO -0.00 0.44 0.04 1.96 -0.00 0.00 0.00 178.44 180.88 1aqw h GLN 39 N -0.19 0.00 -0.43 2.65 4.20 -0.21 -1.58 115.11 119.55 1aqw h GLN 39 Ca 0.02 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1aqw h GLN 39 Cb 0.39 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 1aqw h GLN 39 CO 0.01 0.00 -0.02 1.49 -0.67 0.00 0.00 178.83 179.63 1aqw h GLU 40 N 0.00 0.71 0.00 1.46 4.22 -1.27 -3.48 114.58 116.22 1aqw h GLU 40 Ca 0.00 -0.19 0.00 0.00 0.08 0.00 0.00 59.36 59.25 1aqw h GLU 40 Cb 0.08 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1aqw h GLU 40 CO -0.00 0.74 0.00 0.41 -2.18 0.00 0.00 179.01 177.98 1aqw n GLY 41 N -0.66 3.09 0.21 1.92 0.00 -0.59 -4.98 105.19 104.18 1aqw n GLY 41 Ca 0.02 -0.99 -0.01 0.00 0.00 0.00 0.00 46.02 45.04 1aqw n GLY 41 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1aqw h SER 42 N 0.83 -0.29 0.12 1.61 0.02 -1.85 -1.19 113.55 112.80 1aqw h SER 42 Ca 0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.08 1aqw h SER 42 Cb 0.00 0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1aqw h SER 42 CO 0.00 -0.11 -0.06 0.25 -1.14 0.00 0.00 176.83 175.78 1aqw h LEU 43 N 0.09 -0.13 -1.02 5.07 5.85 -1.89 -2.26 115.31 121.02 1aqw h LEU 43 Ca 0.27 -0.17 0.15 0.00 0.84 0.00 0.00 57.88 58.97 1aqw h LEU 43 Cb 0.42 0.03 -0.09 0.00 0.37 0.00 0.00 40.66 41.39 1aqw h LEU 43 CO -0.48 0.10 0.62 0.50 -0.34 0.00 0.00 178.44 178.84 1aqw h LYS 44 N -0.36 0.86 0.00 1.25 3.64 -1.80 0.33 116.57 120.49 1aqw h LYS 44 Ca -0.02 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 1aqw h LYS 44 Cb 0.29 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1aqw h LYS 44 CO 0.03 0.57 -0.10 0.00 -2.27 0.00 0.00 179.45 177.68 1aqw h ALA 45 N 1.59 1.64 0.00 5.00 0.00 -0.90 -1.55 119.26 125.03 1aqw h ALA 45 Ca 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1aqw h ALA 45 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1aqw h ALA 45 CO -0.31 0.12 -0.63 -1.13 0.00 0.00 0.00 179.25 177.30 1aqw n SER 46 N -4.13 0.61 -4.72 0.00 3.41 0.11 -4.88 113.62 104.02 1aqw n SER 46 Ca -0.03 -0.04 -0.41 0.00 -0.26 0.00 0.00 58.87 58.13 1aqw n SER 46 Cb 0.18 0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 1aqw n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqw h LEU 48 N 6.14 -1.11 -3.33 0.00 5.85 -1.88 -0.60 115.31 120.39 1aqw h LEU 48 Ca -0.42 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 1aqw h LEU 48 Cb 1.21 0.59 -0.00 0.00 0.37 0.00 0.00 40.66 42.83 1aqw h LEU 48 CO 0.73 -0.29 0.00 -1.22 -0.34 0.00 0.00 178.44 177.33 1aqw n TYR 49 N -5.46 1.19 -1.91 1.25 4.01 -1.26 -4.95 117.16 110.03 1aqw n TYR 49 Ca 0.07 -0.87 -0.17 0.00 -0.16 0.00 0.00 57.90 56.77 1aqw n TYR 49 Cb 0.38 -0.36 -0.04 0.00 -0.31 0.00 0.00 39.34 39.00 1aqw n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aqw n GLY 50 N -0.31 0.69 3.19 2.72 0.00 -0.23 -4.99 105.19 106.27 1aqw n GLY 50 Ca 0.23 -0.18 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1aqw n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aqw s GLN 51 N -4.15 1.00 0.32 1.61 -0.21 -1.26 -4.89 119.66 112.08 1aqw s GLN 51 Ca 0.00 -1.41 0.09 0.00 0.02 0.00 0.00 55.36 54.05 1aqw s GLN 51 Cb 0.00 0.27 -0.04 0.00 1.00 0.00 0.00 33.01 34.24 1aqw s GLN 51 CO 0.00 -0.30 0.11 -0.51 -2.12 0.00 0.00 175.29 172.46 1aqw s LEU 52 N -3.05 3.26 0.78 2.90 1.43 -1.26 -4.71 118.68 118.03 1aqw s LEU 52 Ca 0.24 -0.73 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 1aqw s LEU 52 Cb 0.07 -1.74 0.06 0.00 0.03 0.00 0.00 46.19 44.61 1aqw s LEU 52 CO 0.03 -0.22 1.09 -2.16 0.23 0.00 0.00 176.35 175.32 1aqw s PRO 53 N -3.80 2.21 0.01 1.29 0.04 -1.26 -4.97 135.00 128.52 1aqw s PRO 53 Ca 0.36 1.08 0.06 0.00 0.04 0.00 0.00 61.00 62.54 1aqw s PRO 53 Cb -0.03 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 1aqw s PRO 53 CO 0.22 -1.65 -0.20 0.21 0.04 0.00 0.00 177.00 175.62 1aqw s LYS 54 N -4.93 1.45 0.01 4.56 2.20 -0.62 -4.02 119.74 118.38 1aqw s LYS 54 Ca 0.61 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 55.43 1aqw s LYS 54 Cb -0.17 -1.48 -0.01 0.00 -1.51 0.00 0.00 37.83 34.67 1aqw s LYS 54 CO 0.56 0.39 -0.05 0.12 -0.36 0.00 0.00 175.35 176.01 1aqw s PHE 55 N -0.62 0.44 -0.08 4.03 5.36 -0.21 -0.80 117.98 126.09 1aqw s PHE 55 Ca 0.07 -0.23 0.03 0.00 -0.96 0.00 0.00 56.93 55.85 1aqw s PHE 55 Cb -0.08 -0.27 0.01 0.00 -0.34 0.00 0.00 43.02 42.33 1aqw s PHE 55 CO 0.00 -0.04 -0.18 -0.65 -1.46 0.00 0.00 175.22 172.89 1aqw s GLN 56 N -0.62 2.34 -0.41 10.12 -1.52 -0.46 -0.70 119.66 128.41 1aqw s GLN 56 Ca -0.03 -0.63 0.02 0.00 -1.95 0.00 0.00 55.36 52.76 1aqw s GLN 56 Cb -0.05 -1.83 0.12 0.00 -0.22 0.00 0.00 33.01 31.04 1aqw s GLN 56 CO -0.00 0.10 0.19 0.34 -0.25 0.00 0.00 175.29 175.67 1aqw s ASP 57 N 0.51 3.85 1.85 5.90 -1.08 -0.06 -1.47 116.67 126.17 1aqw s ASP 57 Ca -0.17 -2.39 0.00 0.00 -0.52 0.00 0.00 52.55 49.48 1aqw s ASP 57 Cb -0.17 -1.07 0.00 0.00 -1.46 0.00 0.00 42.92 40.22 1aqw s ASP 57 CO 0.06 -0.31 0.00 0.61 0.52 0.00 0.00 175.17 176.06 1aqw n GLY 58 N 3.87 3.93 0.04 2.66 0.00 -1.05 -0.94 105.19 113.69 1aqw n GLY 58 Ca 0.06 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1aqw n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1aqw n ASP 59 N 8.44 0.45 -4.66 1.61 5.75 -1.26 -4.83 116.55 122.04 1aqw n ASP 59 Ca 0.00 0.24 -0.40 0.00 -0.01 0.00 0.00 54.79 54.62 1aqw n ASP 59 Cb 0.00 -0.22 -0.06 0.00 -1.03 0.00 0.00 41.12 39.81 1aqw n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1aqw s LEU 60 N -3.58 4.14 -0.17 -2.12 2.96 -0.12 -5.06 118.68 114.72 1aqw s LEU 60 Ca 0.11 0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 54.80 1aqw s LEU 60 Cb 0.16 -2.89 -0.02 0.00 0.50 0.00 0.00 46.19 43.93 1aqw s LEU 60 CO 0.63 -0.29 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.46 1aqw s THR 61 N 1.98 3.86 0.15 3.68 2.01 -1.26 -0.88 115.64 125.18 1aqw s THR 61 Ca 0.29 -0.36 0.08 0.00 0.31 0.00 0.00 61.69 62.01 1aqw s THR 61 Cb -0.16 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1aqw s THR 61 CO 0.10 0.47 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.57 1aqw s LEU 62 N 0.66 2.42 0.26 4.42 1.43 0.12 -4.98 118.68 123.02 1aqw s LEU 62 Ca -0.02 -0.84 0.04 0.00 -1.03 0.00 0.00 54.13 52.28 1aqw s LEU 62 Cb -0.14 -0.73 -0.06 0.00 0.03 0.00 0.00 46.19 45.29 1aqw s LEU 62 CO 0.02 -0.07 0.02 -0.31 0.23 0.00 0.00 176.35 176.24 1aqw s TYR 63 N -2.07 1.71 0.00 0.29 2.02 -1.26 -1.05 117.35 116.99 1aqw s TYR 63 Ca 0.13 -0.94 0.00 0.00 -0.37 0.00 0.00 57.07 55.90 1aqw s TYR 63 Cb -0.05 -1.03 0.00 0.00 -0.40 0.00 0.00 41.96 40.48 1aqw s TYR 63 CO 0.05 -0.02 0.00 1.04 -1.57 0.00 0.00 175.55 175.05 1aqw n GLN 64 N -0.51 0.00 -0.36 -0.62 1.13 -1.26 -4.54 117.38 111.22 1aqw n GLN 64 Ca -0.04 0.44 0.06 0.00 -1.94 0.00 0.00 57.00 55.52 1aqw n GLN 64 Cb 0.65 -0.37 0.23 0.00 0.11 0.00 0.00 30.24 30.86 1aqw n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1aqw h SER 65 N 0.00 0.94 1.11 1.08 4.64 -1.89 -1.03 113.55 118.40 1aqw h SER 65 Ca 0.00 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 1aqw h SER 65 Cb 0.00 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1aqw h SER 65 CO 0.00 0.53 -0.32 0.78 -0.87 0.00 0.00 176.83 176.95 1aqw h ASN 66 N 1.03 0.00 -0.28 4.97 4.21 -1.93 -1.80 115.58 121.78 1aqw h ASN 66 Ca 0.48 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.85 1aqw h ASN 66 Cb 0.42 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.61 1aqw h ASN 66 CO -0.24 0.32 -0.36 0.74 -1.29 0.00 0.00 177.43 176.60 1aqw h THR 67 N 0.00 1.30 -0.31 2.81 2.02 -1.49 -1.57 112.91 115.67 1aqw h THR 67 Ca -0.00 -1.55 -0.01 0.00 0.77 0.00 0.00 66.41 65.62 1aqw h THR 67 Cb 0.96 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1aqw h THR 67 CO 0.04 0.50 0.16 0.40 0.37 0.00 0.00 175.52 176.99 1aqw h ILE 68 N 0.47 1.14 -0.53 3.11 2.04 -1.06 -0.75 117.51 121.94 1aqw h ILE 68 Ca 0.03 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1aqw h ILE 68 Cb 0.95 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1aqw h ILE 68 CO 0.09 0.15 0.33 -0.07 0.00 0.00 0.00 178.15 178.64 1aqw h LEU 69 N 0.38 0.55 -1.11 1.44 3.38 -1.27 -1.34 115.31 117.33 1aqw h LEU 69 Ca 0.11 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1aqw h LEU 69 Cb 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1aqw h LEU 69 CO -0.02 0.39 -0.21 0.03 0.09 0.00 0.00 178.44 178.73 1aqw h ARG 70 N 0.66 0.37 -0.23 1.13 3.08 -1.10 0.14 114.38 118.43 1aqw h ARG 70 Ca 0.20 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1aqw h ARG 70 Cb -0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1aqw h ARG 70 CO -0.07 0.57 0.03 1.25 -1.07 0.00 0.00 179.97 180.68 1aqw h HIS 71 N 0.34 0.42 -0.32 3.04 2.76 -0.66 0.49 115.15 121.21 1aqw h HIS 71 Ca 0.06 -0.06 -0.15 0.00 -2.20 0.00 0.00 60.37 58.02 1aqw h HIS 71 Cb 0.56 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.40 1aqw h HIS 71 CO 0.01 0.52 -0.38 -0.07 -1.30 0.00 0.00 177.93 176.71 1aqw h LEU 72 N 0.19 0.82 -0.78 0.26 3.38 -1.05 -0.74 115.31 117.38 1aqw h LEU 72 Ca 0.07 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1aqw h LEU 72 Cb 0.34 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1aqw h LEU 72 CO 0.01 1.10 0.48 1.23 0.09 0.00 0.00 178.44 181.35 1aqw h GLY 73 N 0.92 1.12 0.63 0.83 0.00 -0.57 0.26 103.07 106.25 1aqw h GLY 73 Ca 0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1aqw h GLY 73 CO 0.09 0.44 -0.01 -0.09 0.00 0.00 0.00 176.54 176.97 1aqw h ARG 74 N 1.06 0.06 0.00 4.80 2.43 -0.79 0.29 114.38 122.23 1aqw h ARG 74 Ca 0.28 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.39 1aqw h ARG 74 Cb -0.06 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1aqw h ARG 74 CO -0.05 0.44 -0.18 1.79 -1.51 0.00 0.00 179.97 180.45 1aqw h THR 75 N -0.33 0.31 -0.10 0.20 1.35 -1.00 -3.30 112.91 110.06 1aqw h THR 75 Ca 0.01 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1aqw h THR 75 Cb 0.42 2.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.98 1aqw h THR 75 CO 0.00 0.17 0.00 0.18 -0.25 0.00 0.00 175.52 175.63 1aqw n LEU 76 N -3.15 2.69 -1.63 3.87 4.77 0.88 -4.99 117.00 119.45 1aqw n LEU 76 Ca 0.03 -1.13 -0.07 0.00 -0.03 0.00 0.00 56.01 54.81 1aqw n LEU 76 Cb 0.60 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.67 1aqw n LEU 76 CO 0.36 0.50 0.07 0.61 -1.33 0.00 0.00 177.39 177.60 1aqw n GLY 77 N 1.07 0.36 2.30 -0.72 0.00 -0.81 -4.97 105.19 102.42 1aqw n GLY 77 Ca 0.12 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 1aqw n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aqw n LEU 78 N -2.02 4.46 -0.89 0.99 4.77 0.96 -4.75 117.00 120.52 1aqw n LEU 78 Ca -0.03 -4.79 0.05 0.00 -0.03 0.00 0.00 56.01 51.20 1aqw n LEU 78 Cb 0.53 -0.30 0.09 0.00 -2.33 0.00 0.00 43.42 41.41 1aqw n LEU 78 CO 0.21 2.07 0.24 0.00 -1.33 0.00 0.00 177.39 178.59 1aqw n TYR 79 N -0.57 0.00 0.00 -1.77 4.19 -1.22 -1.49 117.16 116.31 1aqw n TYR 79 Ca 0.38 -0.78 0.00 0.00 3.31 0.00 0.00 57.90 60.81 1aqw n TYR 79 Cb 0.82 -0.16 0.00 0.00 0.49 0.00 0.00 39.34 40.49 1aqw n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1aqw n GLY 80 N -0.31 -0.58 0.16 2.98 0.00 -1.26 -3.65 105.19 102.54 1aqw n GLY 80 Ca 0.10 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.54 1aqw n GLY 80 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1aqw h LYS 81 N 0.00 0.00 0.00 1.61 2.10 -1.96 -3.46 116.57 114.86 1aqw h LYS 81 Ca 0.00 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.41 1aqw h LYS 81 Cb 0.00 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.28 1aqw h LYS 81 CO 0.00 0.13 -0.07 -0.40 -2.00 0.00 0.00 179.45 177.11 1aqw n ASP 82 N -2.98 -1.56 0.13 7.07 5.68 -1.26 -5.03 116.55 118.61 1aqw n ASP 82 Ca 0.01 -2.86 0.05 0.00 -0.50 0.00 0.00 54.79 51.49 1aqw n ASP 82 Cb 0.61 2.82 0.51 0.00 -1.14 0.00 0.00 41.12 43.92 1aqw n ASP 82 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1aqw h GLN 83 N 0.00 0.26 -0.42 0.11 4.20 -1.93 0.27 115.11 117.60 1aqw h GLN 83 Ca -0.29 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.32 1aqw h GLN 83 Cb 1.21 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1aqw h GLN 83 CO 0.38 0.21 -0.07 0.37 -0.67 0.00 0.00 178.83 179.06 1aqw h GLN 84 N 0.26 0.79 -0.18 1.46 -0.00 -1.98 -2.44 115.11 113.03 1aqw h GLN 84 Ca 0.07 -0.29 -0.17 0.00 -0.00 0.00 0.00 58.65 58.26 1aqw h GLN 84 Cb 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 27.48 27.46 1aqw h GLN 84 CO -0.01 0.90 -0.58 0.93 0.00 0.00 0.00 178.83 180.07 1aqw h GLU 85 N 0.62 0.57 -0.97 1.69 5.08 -1.69 -2.66 114.58 117.23 1aqw h GLU 85 Ca 0.11 -0.38 0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1aqw h GLU 85 Cb 0.59 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.82 1aqw h GLU 85 CO 0.04 0.99 0.62 0.00 -1.00 0.00 0.00 179.01 179.66 1aqw h ALA 86 N 0.93 1.47 -0.44 3.43 0.00 -0.83 0.94 119.26 124.76 1aqw h ALA 86 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1aqw h ALA 86 Cb 1.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1aqw h ALA 86 CO 0.11 0.36 -0.28 0.00 0.00 0.00 0.00 179.25 179.44 1aqw h ALA 87 N 1.49 0.63 -0.42 0.00 0.00 -1.25 -1.76 119.26 117.96 1aqw h ALA 87 Ca 0.43 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1aqw h ALA 87 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1aqw h ALA 87 CO -0.18 0.67 -0.19 -0.07 0.00 0.00 0.00 179.25 179.48 1aqw h LEU 88 N 0.82 0.81 -0.31 0.00 3.38 -0.99 -1.37 115.31 117.65 1aqw h LEU 88 Ca 0.09 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1aqw h LEU 88 Cb 0.87 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1aqw h LEU 88 CO 0.08 0.99 0.18 0.58 0.09 0.00 0.00 178.44 180.36 1aqw h VAL 89 N 0.71 1.11 -0.28 1.22 2.07 -0.67 -1.47 116.25 118.94 1aqw h VAL 89 Ca 0.10 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1aqw h VAL 89 Cb 0.70 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1aqw h VAL 89 CO 0.05 0.11 0.10 0.44 0.02 0.00 0.00 177.57 178.29 1aqw h ASP 90 N 0.40 0.11 -0.78 0.57 3.32 -1.13 -0.68 116.42 118.22 1aqw h ASP 90 Ca 0.11 0.03 0.11 0.00 0.02 0.00 0.00 57.03 57.30 1aqw h ASP 90 Cb 0.02 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.51 1aqw h ASP 90 CO -0.02 0.10 0.40 -0.03 -1.72 0.00 0.00 179.24 177.97 1aqw h MET 91 N 0.22 0.64 -0.06 3.56 4.05 -0.88 0.15 114.93 122.61 1aqw h MET 91 Ca 0.13 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1aqw h MET 91 Cb 0.09 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 1aqw h MET 91 CO -0.13 0.42 -0.01 0.28 0.23 0.00 0.00 176.91 177.71 1aqw h VAL 92 N 0.66 1.27 -0.90 -5.77 2.07 -0.88 -2.61 116.25 110.08 1aqw h VAL 92 Ca 0.39 -0.83 0.02 0.00 0.82 0.00 0.00 66.70 67.10 1aqw h VAL 92 Cb 0.44 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1aqw h VAL 92 CO -0.29 0.23 0.59 -1.13 0.02 0.00 0.00 177.57 176.99 1aqw h ASN 93 N -0.21 0.99 -0.76 0.57 -0.73 -0.34 -0.62 115.58 114.49 1aqw h ASN 93 Ca 0.02 -0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.13 1aqw h ASN 93 Cb 0.36 -0.23 -0.03 0.00 0.27 0.00 0.00 38.32 38.68 1aqw h ASN 93 CO 0.00 0.70 0.33 0.44 -0.37 0.00 0.00 177.43 178.53 1aqw h ASP 94 N 1.16 1.03 -0.59 1.15 3.32 -0.72 0.57 116.42 122.35 1aqw h ASP 94 Ca 0.35 -0.14 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1aqw h ASP 94 Cb -0.05 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 1aqw h ASP 94 CO -0.10 0.90 0.22 1.23 -1.72 0.00 0.00 179.24 179.77 1aqw h GLY 95 N 1.14 0.95 0.98 2.75 0.00 -0.91 -0.90 103.07 107.08 1aqw h GLY 95 Ca 0.26 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1aqw h GLY 95 CO -0.03 0.50 0.18 -2.08 0.00 0.00 0.00 176.54 175.12 1aqw h VAL 96 N 0.82 1.11 -0.53 4.60 2.07 -0.58 -2.57 116.25 121.17 1aqw h VAL 96 Ca 0.19 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1aqw h VAL 96 Cb 0.23 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1aqw h VAL 96 CO -0.01 0.11 0.26 -0.08 0.02 0.00 0.00 177.57 177.86 1aqw h GLU 97 N 0.39 0.48 -0.26 1.57 4.57 -0.61 0.67 114.58 121.40 1aqw h GLU 97 Ca 0.11 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.31 1aqw h GLU 97 Cb 0.01 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 28.44 1aqw h GLU 97 CO -0.02 0.32 -0.08 -0.44 -1.18 0.00 0.00 179.01 177.60 1aqw h ASP 98 N 0.49 -0.30 -0.56 1.04 3.32 -0.94 0.05 116.42 119.53 1aqw h ASP 98 Ca 0.24 0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.27 1aqw h ASP 98 Cb 0.17 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1aqw h ASP 98 CO -0.18 -0.11 -0.06 0.25 -1.72 0.00 0.00 179.24 177.42 1aqw h LEU 99 N -0.03 1.03 -0.78 1.55 5.85 -1.14 -2.88 115.31 118.91 1aqw h LEU 99 Ca 0.13 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1aqw h LEU 99 Cb 0.23 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 1aqw h LEU 99 CO -0.28 1.11 0.46 -0.09 -0.34 0.00 0.00 178.44 179.30 1aqw h ARG 100 N 0.93 0.81 -0.85 1.25 2.43 -0.18 -0.29 114.38 118.48 1aqw h ARG 100 Ca 0.15 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1aqw h ARG 100 Cb 0.62 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1aqw h ARG 100 CO 0.04 0.53 0.56 0.00 -1.51 0.00 0.00 179.97 179.60 1aqw h LYS 102 N 1.14 0.92 -0.37 0.00 1.57 -1.10 -1.45 116.57 117.28 1aqw h LYS 102 Ca 0.32 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1aqw h LYS 102 Cb -0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 1aqw h LYS 102 CO -0.08 0.84 0.19 -0.92 -0.57 0.00 0.00 179.45 178.91 1aqw h TYR 103 N 0.84 0.53 -0.55 -1.35 3.20 -0.54 -2.06 116.97 117.03 1aqw h TYR 103 Ca 0.19 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.04 1aqw h TYR 103 Cb 0.32 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1aqw h TYR 103 CO 0.02 0.45 0.36 0.82 -1.64 0.00 0.00 178.16 178.17 1aqw h ILE 104 N 0.47 1.15 -0.75 1.81 2.04 -0.57 -1.79 117.51 119.86 1aqw h ILE 104 Ca 0.13 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 1aqw h ILE 104 Cb 0.11 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 1aqw h ILE 104 CO -0.02 0.14 0.35 0.28 0.00 0.00 0.00 178.15 178.91 1aqw h SER 105 N 0.75 0.99 0.48 1.72 0.02 -1.11 -0.70 113.55 115.71 1aqw h SER 105 Ca 0.20 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1aqw h SER 105 Cb -0.08 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.19 1aqw h SER 105 CO -0.04 0.86 -0.40 0.25 -1.14 0.00 0.00 176.83 176.36 1aqw h LEU 106 N 1.06 -1.06 -0.52 5.07 5.85 -0.98 0.35 115.31 125.08 1aqw h LEU 106 Ca 0.26 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.16 1aqw h LEU 106 Cb 0.13 0.34 -0.10 0.00 0.37 0.00 0.00 40.66 41.40 1aqw h LEU 106 CO -0.03 -0.55 -0.18 0.40 -0.34 0.00 0.00 178.44 177.74 1aqw h ILE 107 N -0.85 0.40 0.00 4.05 1.08 -1.17 0.28 117.51 121.30 1aqw h ILE 107 Ca -0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.41 1aqw h ILE 107 Cb 0.72 0.40 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1aqw h ILE 107 CO -0.01 0.00 -0.96 -1.22 -0.69 0.00 0.00 178.15 175.27 1aqw n TYR 108 N -5.40 0.85 0.01 1.37 4.01 -0.28 -4.33 117.16 113.39 1aqw n TYR 108 Ca 0.05 0.25 0.00 0.00 -0.16 0.00 0.00 57.90 58.04 1aqw n TYR 108 Cb 0.30 -0.87 -0.01 0.00 -0.31 0.00 0.00 39.34 38.45 1aqw n TYR 108 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1aqw n THR 109 N -2.54 0.00 -2.68 -0.72 -2.24 0.12 -4.91 114.28 101.32 1aqw n THR 109 Ca 0.01 -0.11 -0.05 0.00 -2.27 0.00 0.00 64.05 61.63 1aqw n THR 109 Cb 0.53 0.58 0.10 0.00 -2.10 0.00 0.00 70.33 69.43 1aqw n THR 109 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1aqw n ASN 110 N -1.44 -1.60 -0.08 3.42 5.15 -0.46 -5.00 115.26 115.26 1aqw n ASN 110 Ca -0.00 -2.22 -0.08 0.00 -0.60 0.00 0.00 54.58 51.68 1aqw n ASN 110 Cb 0.02 0.87 -0.01 0.00 -0.53 0.00 0.00 39.78 40.14 1aqw n ASN 110 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1aqw h TYR 111 N 1.51 0.16 0.56 1.20 3.20 -1.19 0.69 116.97 123.10 1aqw h TYR 111 Ca -0.35 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.51 1aqw h TYR 111 Cb 1.28 -0.03 0.01 0.00 1.54 0.00 0.00 36.73 39.52 1aqw h TYR 111 CO 0.04 0.07 -0.27 0.93 -1.64 0.00 0.00 178.16 177.28 1aqw h GLU 112 N 0.21 -0.73 0.00 1.82 3.07 -1.94 -2.88 114.58 114.13 1aqw h GLU 112 Ca 0.13 0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1aqw h GLU 112 Cb 0.10 0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 1aqw h GLU 112 CO -0.14 -0.43 -0.13 0.00 -1.40 0.00 0.00 179.01 176.91 1aqw h ALA 113 N -0.56 0.92 0.00 3.43 0.00 -1.97 -3.36 119.26 117.72 1aqw h ALA 113 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1aqw h ALA 113 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1aqw h ALA 113 CO 0.13 0.00 -1.37 0.41 0.00 0.00 0.00 179.25 178.41 1aqw n GLY 114 N 1.25 -0.78 0.30 0.00 0.00 0.23 -4.72 105.19 101.47 1aqw n GLY 114 Ca 0.05 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 1aqw n GLY 114 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1aqw h LYS 115 N 0.00 -0.21 -0.95 1.61 3.64 -1.65 -1.57 116.57 117.44 1aqw h LYS 115 Ca 0.00 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.46 1aqw h LYS 115 Cb 0.65 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 1aqw h LYS 115 CO 0.00 -0.14 0.62 -0.44 -2.27 0.00 0.00 179.45 177.22 1aqw h ASP 116 N -0.21 0.96 0.35 4.20 3.32 -1.86 0.56 116.42 123.74 1aqw h ASP 116 Ca 0.18 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1aqw h ASP 116 Cb 0.49 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1aqw h ASP 116 CO -0.49 0.61 -0.17 0.44 -1.72 0.00 0.00 179.24 177.91 1aqw h ASP 117 N 1.08 -0.40 -0.43 6.45 3.32 -1.71 -1.85 116.42 122.88 1aqw h ASP 117 Ca 0.41 -0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.46 1aqw h ASP 117 Cb 0.21 0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.77 1aqw h ASP 117 CO -0.16 -0.14 -0.20 0.22 -1.72 0.00 0.00 179.24 177.24 1aqw h TYR 118 N -0.65 -0.50 -0.78 4.55 5.03 -0.82 -0.85 116.97 122.95 1aqw h TYR 118 Ca -0.05 0.05 -0.02 0.00 2.58 0.00 0.00 58.73 61.29 1aqw h TYR 118 Cb 0.47 0.29 -0.04 0.00 1.55 0.00 0.00 36.73 39.00 1aqw h TYR 118 CO -0.01 -0.28 0.42 0.28 -1.32 0.00 0.00 178.16 177.25 1aqw h VAL 119 N -0.11 1.23 -0.05 1.81 2.07 -0.87 0.29 116.25 120.62 1aqw h VAL 119 Ca 0.21 -0.59 -0.07 0.00 0.82 0.00 0.00 66.70 67.06 1aqw h VAL 119 Cb 0.44 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1aqw h VAL 119 CO -0.51 0.26 -0.31 0.07 0.02 0.00 0.00 177.57 177.11 1aqw h LYS 120 N 1.08 0.08 0.00 1.57 2.10 -0.68 -2.47 116.57 118.25 1aqw h LYS 120 Ca 0.27 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1aqw h LYS 120 Cb 0.04 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1aqw h LYS 120 CO -0.04 0.39 -0.43 0.00 -2.00 0.00 0.00 179.45 177.37 1aqw h ALA 121 N 1.62 0.74 -0.68 0.07 0.00 -0.48 -3.39 119.26 117.15 1aqw h ALA 121 Ca 0.01 0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.06 1aqw h ALA 121 Cb 0.59 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.27 1aqw h ALA 121 CO 0.04 0.00 0.08 1.25 0.00 0.00 0.00 179.25 180.63 1aqw h LEU 122 N 0.00 -0.14 -1.95 0.00 5.85 -0.46 -1.71 115.31 116.89 1aqw h LEU 122 Ca 0.00 0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1aqw h LEU 122 Cb 0.83 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1aqw h LEU 122 CO 0.00 -0.08 0.07 1.55 -0.34 0.00 0.00 178.44 179.64 1aqw h PRO 123 N 0.19 0.06 0.00 5.25 0.13 -1.76 0.26 132.00 136.14 1aqw h PRO 123 Ca 0.37 -0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.41 1aqw h PRO 123 Cb 0.61 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1aqw h PRO 123 CO -0.52 0.04 -0.42 0.78 -0.23 0.00 0.00 178.00 177.65 1aqw h GLY 124 N 0.07 0.00 1.84 1.56 0.00 -1.60 -1.82 103.07 103.11 1aqw h GLY 124 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.14 1aqw h GLY 124 CO -0.01 0.00 -1.11 1.46 0.00 0.00 0.00 176.54 176.88 1aqw h GLN 125 N 0.00 0.06 0.02 4.80 1.08 -0.91 -3.35 115.11 116.82 1aqw h GLN 125 Ca -0.00 -0.10 -0.24 0.00 -1.45 0.00 0.00 58.65 56.85 1aqw h GLN 125 Cb 0.86 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 28.29 1aqw h GLN 125 CO 0.05 1.01 -1.22 -0.07 -0.95 0.00 0.00 178.83 177.66 1aqw h LEU 126 N 0.02 0.08 -0.88 1.46 3.38 -1.01 -3.38 115.31 114.97 1aqw h LEU 126 Ca -0.06 -0.09 0.23 0.00 0.09 0.00 0.00 57.88 58.05 1aqw h LEU 126 Cb 1.83 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 42.42 1aqw h LEU 126 CO 0.14 1.08 0.27 0.50 0.09 0.00 0.00 178.44 180.52 1aqw h LYS 127 N 0.01 0.23 -0.98 1.13 3.64 -1.46 -1.22 116.57 117.92 1aqw h LYS 127 Ca -0.10 -0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.38 1aqw h LYS 127 Cb 1.86 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 33.55 1aqw h LYS 127 CO 0.13 0.15 0.62 -1.35 -2.27 0.00 0.00 179.45 176.73 1aqw h PRO 128 N 0.24 0.92 -0.27 1.90 0.11 -1.79 -0.65 132.00 132.46 1aqw h PRO 128 Ca 0.56 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.49 1aqw h PRO 128 Cb 1.12 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 1aqw h PRO 128 CO -0.63 0.61 -0.33 0.74 -0.21 0.00 0.00 178.00 178.18 1aqw h PHE 129 N 0.95 0.69 -0.65 0.65 0.04 -1.49 -0.64 116.94 116.48 1aqw h PHE 129 Ca 0.48 -0.18 -0.07 0.00 2.80 0.00 0.00 57.97 61.01 1aqw h PHE 129 Cb 0.50 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 1aqw h PHE 129 CO -0.00 0.85 0.15 1.49 -0.60 0.00 0.00 178.31 180.20 1aqw h GLU 130 N 0.50 1.05 -0.15 1.51 4.57 -1.24 -2.13 114.58 118.70 1aqw h GLU 130 Ca 0.06 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1aqw h GLU 130 Cb 0.82 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 1aqw h GLU 130 CO 0.07 0.95 0.08 1.15 -1.18 0.00 0.00 179.01 180.08 1aqw h THR 131 N 0.98 1.08 -0.62 0.32 2.02 -0.58 -1.09 112.91 115.01 1aqw h THR 131 Ca 0.20 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 67.23 1aqw h THR 131 Cb 0.37 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 67.69 1aqw h THR 131 CO 0.00 0.08 0.32 -0.07 0.37 0.00 0.00 175.52 176.22 1aqw h LEU 132 N 0.15 0.44 -0.06 2.58 3.38 -0.92 -1.50 115.31 119.39 1aqw h LEU 132 Ca 0.05 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1aqw h LEU 132 Cb 0.05 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1aqw h LEU 132 CO -0.01 0.28 0.04 -0.07 0.09 0.00 0.00 178.44 178.77 1aqw h LEU 133 N 0.59 0.08 -2.03 1.67 3.38 -1.13 -2.31 115.31 115.56 1aqw h LEU 133 Ca 0.29 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.26 1aqw h LEU 133 Cb 0.23 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1aqw h LEU 133 CO -0.21 0.13 0.20 0.77 0.09 0.00 0.00 178.44 179.42 1aqw h SER 134 N 0.02 0.00 0.78 -0.43 4.64 -0.70 0.46 113.55 118.32 1aqw h SER 134 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1aqw h SER 134 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1aqw h SER 134 CO -0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 176.83 175.81 1aqw n GLN 135 N -4.38 0.10 -3.86 4.77 6.02 -0.61 -3.57 117.38 115.85 1aqw n GLN 135 Ca 0.03 -0.02 -0.33 0.00 -0.01 0.00 0.00 57.00 56.67 1aqw n GLN 135 Cb 0.35 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.99 1aqw n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1aqw s ASN 136 N -2.92 4.72 -1.38 1.08 2.47 -0.34 -4.78 114.94 113.79 1aqw s ASN 136 Ca 0.16 -2.86 -0.05 0.00 0.42 0.00 0.00 52.86 50.52 1aqw s ASN 136 Cb 0.19 -1.72 0.03 0.00 -1.45 0.00 0.00 41.25 38.29 1aqw s ASN 136 CO 0.56 -0.30 0.86 0.00 -3.72 0.00 0.00 177.10 174.50 1aqw n GLN 137 N 3.38 -5.51 -2.23 0.43 6.02 -1.26 -1.56 117.38 116.64 1aqw n GLN 137 Ca 0.06 0.65 -0.17 0.00 -0.01 0.00 0.00 57.00 57.53 1aqw n GLN 137 Cb 0.35 -5.39 -0.02 0.00 1.02 0.00 0.00 30.24 26.20 1aqw n GLN 137 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aqw n GLY 138 N -1.62 -0.09 2.45 1.08 0.00 -1.23 -1.62 105.19 104.15 1aqw n GLY 138 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.74 1aqw n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aqw n GLY 139 N -0.79 1.26 0.04 -0.02 0.00 0.15 -4.77 105.19 101.06 1aqw n GLY 139 Ca -0.19 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.65 1aqw n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aqw n LYS 140 N -2.24 0.13 0.00 1.61 4.76 -0.64 -4.82 118.16 116.96 1aqw n LYS 140 Ca -0.12 0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1aqw n LYS 140 Cb 0.44 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1aqw n LYS 140 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1aqw n THR 141 N -1.82 0.00 -3.74 -0.18 -2.24 -1.26 -5.12 114.28 99.92 1aqw n THR 141 Ca 0.05 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.59 1aqw n THR 141 Cb 0.38 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 1aqw n THR 141 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 1aqw s PHE 142 N 2.78 1.85 0.32 4.78 0.08 -1.25 -5.02 117.98 121.52 1aqw s PHE 142 Ca 0.00 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.31 1aqw s PHE 142 Cb 0.00 -2.00 0.53 0.00 -0.57 0.00 0.00 43.02 40.98 1aqw s PHE 142 CO 0.00 -0.45 1.93 0.97 -0.10 0.00 0.00 175.22 177.56 1aqw h ILE 143 N 0.77 1.19 -3.35 0.64 6.09 -1.96 -3.41 117.51 117.48 1aqw h ILE 143 Ca -0.37 -0.54 -0.40 0.00 -1.37 0.00 0.00 64.86 62.18 1aqw h ILE 143 Cb 1.29 0.45 -0.37 0.00 0.47 0.00 0.00 36.82 38.66 1aqw h ILE 143 CO 0.56 0.23 -0.76 -0.69 -3.07 0.00 0.00 178.15 174.42 1aqw s VAL 144 N -5.47 0.26 0.00 2.19 1.01 -1.26 -4.70 120.40 112.43 1aqw s VAL 144 Ca -0.10 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1aqw s VAL 144 Cb 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1aqw s VAL 144 CO 0.78 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.70 1aqw n GLY 145 N 4.79 -0.38 0.81 4.51 0.00 -1.26 -4.21 105.19 109.46 1aqw n GLY 145 Ca -0.13 -1.08 0.09 0.00 0.00 0.00 0.00 46.02 44.90 1aqw n GLY 145 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aqw n ASP 146 N -1.14 2.82 -4.30 1.61 8.00 -1.26 -3.84 116.55 118.44 1aqw n ASP 146 Ca 0.00 -1.83 -0.24 0.00 0.71 0.00 0.00 54.79 53.43 1aqw n ASP 146 Cb 0.00 -0.14 -0.12 0.00 -0.02 0.00 0.00 41.12 40.84 1aqw n ASP 146 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1aqw s GLN 147 N -1.28 1.17 0.45 -1.24 1.11 -1.26 -4.86 119.66 113.75 1aqw s GLN 147 Ca 0.26 -1.22 -0.23 0.00 0.01 0.00 0.00 55.36 54.18 1aqw s GLN 147 Cb 0.16 -1.42 -0.08 0.00 -1.01 0.00 0.00 33.01 30.67 1aqw s GLN 147 CO 0.23 0.32 1.15 -1.50 0.01 0.00 0.00 175.29 175.50 1aqw s ILE 148 N -1.30 3.20 0.28 1.08 2.07 -1.26 -4.75 121.20 120.52 1aqw s ILE 148 Ca 0.08 0.90 0.02 0.00 -1.41 0.00 0.00 60.65 60.25 1aqw s ILE 148 Cb -0.09 -3.46 -0.05 0.00 0.13 0.00 0.00 42.46 38.99 1aqw s ILE 148 CO 0.05 -0.01 0.10 -0.94 -1.91 0.00 0.00 174.94 172.23 1aqw s SER 149 N -1.38 1.50 0.60 4.50 1.04 -1.26 -4.69 113.70 114.01 1aqw s SER 149 Ca 0.62 -1.43 0.34 0.00 0.48 0.00 0.00 55.95 55.97 1aqw s SER 149 Cb -0.28 0.18 1.89 0.00 0.10 0.00 0.00 66.02 67.92 1aqw s SER 149 CO 0.34 -0.75 2.23 2.19 0.98 0.00 0.00 173.24 178.22 1aqw h PHE 150 N 2.28 0.00 0.00 5.02 -5.15 -1.61 -1.71 116.94 115.77 1aqw h PHE 150 Ca -0.38 0.00 -0.09 0.00 -0.20 0.00 0.00 57.97 57.31 1aqw h PHE 150 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.41 1aqw h PHE 150 CO 0.63 0.03 -0.41 0.00 -2.00 0.00 0.00 178.31 176.56 1aqw h ALA 151 N 1.97 1.17 -0.37 12.09 0.00 -1.87 -2.81 119.26 129.43 1aqw h ALA 151 Ca -0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.49 1aqw h ALA 151 Cb 0.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1aqw h ALA 151 CO 0.00 0.51 0.04 -0.44 0.00 0.00 0.00 179.25 179.37 1aqw h ASP 152 N 0.00 0.60 -0.67 0.00 3.32 -1.71 -0.22 116.42 117.74 1aqw h ASP 152 Ca -0.00 -0.28 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 1aqw h ASP 152 Cb 0.80 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.16 1aqw h ASP 152 CO 0.05 0.73 0.23 1.88 -1.72 0.00 0.00 179.24 180.42 1aqw h TYR 153 N 0.45 1.05 -0.41 4.55 0.05 -1.60 0.97 116.97 122.03 1aqw h TYR 153 Ca 0.11 -0.10 -0.10 0.00 0.05 0.00 0.00 58.73 58.70 1aqw h TYR 153 Cb 0.40 -0.31 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 1aqw h TYR 153 CO 0.03 0.84 -0.12 -0.97 -1.05 0.00 0.00 178.16 176.89 1aqw h ASN 154 N 0.96 0.82 -0.32 3.88 -0.00 -1.40 -2.06 115.58 117.46 1aqw h ASN 154 Ca 0.22 -0.37 -0.05 0.00 -0.00 0.00 0.00 56.30 56.10 1aqw h ASN 154 Cb 0.26 -0.22 -0.01 0.00 -0.00 0.00 0.00 38.32 38.35 1aqw h ASN 154 CO -0.01 1.00 -0.00 0.25 -0.00 0.00 0.00 177.43 178.67 1aqw h LEU 155 N 0.62 0.56 -0.40 0.34 5.85 -0.80 -2.04 115.31 119.44 1aqw h LEU 155 Ca 0.10 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1aqw h LEU 155 Cb 0.65 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1aqw h LEU 155 CO 0.04 0.73 0.12 0.25 -0.34 0.00 0.00 178.44 179.24 1aqw h LEU 156 N 0.37 0.09 -0.67 2.25 5.85 -0.76 -0.53 115.31 121.91 1aqw h LEU 156 Ca 0.09 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1aqw h LEU 156 Cb 0.44 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1aqw h LEU 156 CO 0.02 0.09 0.38 -0.78 -0.34 0.00 0.00 178.44 177.81 1aqw h ASP 157 N 0.26 0.82 -0.77 1.25 3.58 -1.26 -0.29 116.42 120.02 1aqw h ASP 157 Ca 0.19 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.57 1aqw h ASP 157 Cb 0.20 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.00 1aqw h ASP 157 CO -0.22 0.66 0.50 0.25 -2.88 0.00 0.00 179.24 177.56 1aqw h LEU 158 N 0.91 0.86 -0.27 2.28 5.85 -0.70 -0.97 115.31 123.28 1aqw h LEU 158 Ca 0.24 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 1aqw h LEU 158 Cb 0.01 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1aqw h LEU 158 CO -0.04 0.62 0.02 -0.07 -0.34 0.00 0.00 178.44 178.63 1aqw h LEU 159 N 1.02 0.46 -0.34 2.25 3.38 -0.71 -2.30 115.31 119.07 1aqw h LEU 159 Ca 0.29 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1aqw h LEU 159 Cb -0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1aqw h LEU 159 CO -0.07 0.63 0.20 -0.07 0.09 0.00 0.00 178.44 179.22 1aqw h LEU 160 N 0.27 0.32 -1.47 1.67 3.38 -0.72 -1.09 115.31 117.67 1aqw h LEU 160 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1aqw h LEU 160 Cb 0.38 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1aqw h LEU 160 CO 0.01 0.24 -0.09 0.16 0.09 0.00 0.00 178.44 178.85 1aqw h ILE 161 N 0.41 0.25 0.00 1.22 3.07 -1.16 -2.59 117.51 118.70 1aqw h ILE 161 Ca 0.13 -0.69 -0.19 0.00 1.55 0.00 0.00 64.86 65.67 1aqw h ILE 161 Cb 0.00 1.55 -0.03 0.00 -0.27 0.00 0.00 36.82 38.07 1aqw h ILE 161 CO -0.06 0.09 -0.96 0.45 -1.05 0.00 0.00 178.15 176.62 1aqw h HIS 162 N 0.00 0.00 -0.10 0.16 3.86 -0.72 -2.19 115.15 116.16 1aqw h HIS 162 Ca -0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 1aqw h HIS 162 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 1aqw h HIS 162 CO 0.00 0.84 -0.37 0.93 0.86 0.00 0.00 177.93 180.19 1aqw h GLU 163 N 0.00 0.20 -0.07 2.45 4.39 -0.85 0.32 114.58 121.02 1aqw h GLU 163 Ca -0.04 -0.09 -0.12 0.00 0.34 0.00 0.00 59.36 59.45 1aqw h GLU 163 Cb 1.68 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.33 1aqw h GLU 163 CO 0.10 0.55 -0.41 0.28 -1.16 0.00 0.00 179.01 178.38 1aqw h VAL 164 N 0.17 1.41 -0.31 3.13 2.07 -1.43 -2.02 116.25 119.28 1aqw h VAL 164 Ca 0.02 -1.80 -0.02 0.00 0.82 0.00 0.00 66.70 65.71 1aqw h VAL 164 Cb 0.74 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.82 1aqw h VAL 164 CO 0.06 0.53 0.11 0.25 0.02 0.00 0.00 177.57 178.53 1aqw h LEU 165 N -0.07 0.44 -6.65 2.57 5.85 -1.15 -3.38 115.31 112.92 1aqw h LEU 165 Ca -0.03 -0.19 -0.60 0.00 0.84 0.00 0.00 57.88 57.90 1aqw h LEU 165 Cb 1.06 -0.12 -0.39 0.00 0.37 0.00 0.00 40.66 41.59 1aqw h LEU 165 CO 0.08 0.52 -0.83 0.00 -0.34 0.00 0.00 178.44 177.87 1aqw s ALA 166 N -5.45 1.96 0.10 1.25 0.00 0.11 -5.09 121.76 114.65 1aqw s ALA 166 Ca -0.13 -2.68 -0.36 0.00 0.00 0.00 0.00 51.96 48.79 1aqw s ALA 166 Cb 0.09 -1.76 -0.16 0.00 0.00 0.00 0.00 23.12 21.28 1aqw s ALA 166 CO 0.74 -2.03 1.35 -2.30 0.00 0.00 0.00 175.76 173.52 1aqw n PRO 167 N 2.96 1.27 -0.92 0.00 -0.02 -0.76 -1.54 135.00 135.99 1aqw n PRO 167 Ca 0.21 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1aqw n PRO 167 Cb 0.41 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1aqw n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aqw n GLY 168 N 2.57 0.60 0.26 -1.23 0.00 -1.26 -4.92 105.19 101.20 1aqw n GLY 168 Ca 0.18 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.37 1aqw n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aqw n LEU 170 N -2.84 2.22 -0.15 0.00 4.77 -1.26 -4.33 117.00 115.41 1aqw n LEU 170 Ca -0.01 -0.74 0.03 0.00 -0.03 0.00 0.00 56.01 55.26 1aqw n LEU 170 Cb 0.17 -0.01 0.32 0.00 -2.33 0.00 0.00 43.42 41.57 1aqw n LEU 170 CO 0.21 0.37 1.22 0.44 -1.33 0.00 0.00 177.39 178.30 1aqw h ASP 171 N 3.39 0.72 0.65 -1.43 3.32 -1.76 -1.46 116.42 119.85 1aqw h ASP 171 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1aqw h ASP 171 Cb 0.76 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1aqw h ASP 171 CO 0.00 0.51 0.00 0.00 -1.72 0.00 0.00 179.24 178.03 1aqw n ALA 172 N -2.44 2.31 -3.91 3.45 0.00 -1.26 -4.49 120.51 114.16 1aqw n ALA 172 Ca 0.07 -0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.09 1aqw n ALA 172 Cb 0.08 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 17.97 1aqw n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1aqw s PHE 173 N -2.72 3.27 0.25 0.00 0.08 -0.55 -4.99 117.98 113.33 1aqw s PHE 173 Ca 0.21 -3.14 -0.03 0.00 0.12 0.00 0.00 56.93 54.10 1aqw s PHE 173 Cb 0.18 -2.87 0.50 0.00 -0.57 0.00 0.00 43.02 40.26 1aqw s PHE 173 CO 0.44 -0.73 1.73 -1.00 -0.10 0.00 0.00 175.22 175.56 1aqw h PRO 174 N 6.41 0.46 -0.29 0.24 0.13 -1.79 -1.56 132.00 135.60 1aqw h PRO 174 Ca -0.04 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.93 1aqw h PRO 174 Cb 0.88 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1aqw h PRO 174 CO 0.70 0.30 -0.33 -0.07 -0.23 0.00 0.00 178.00 178.37 1aqw h LEU 175 N 0.47 0.79 -0.56 1.56 3.38 -1.93 -2.38 115.31 116.65 1aqw h LEU 175 Ca 0.44 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1aqw h LEU 175 Cb 0.68 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1aqw h LEU 175 CO -0.41 1.12 0.20 -0.07 0.09 0.00 0.00 178.44 179.37 1aqw h LEU 176 N 0.49 0.79 -0.39 1.67 3.38 -1.83 -0.17 115.31 119.25 1aqw h LEU 176 Ca 0.04 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1aqw h LEU 176 Cb 0.91 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 1aqw h LEU 176 CO 0.08 0.77 0.24 0.28 0.09 0.00 0.00 178.44 179.90 1aqw h SER 177 N 0.77 0.40 -0.10 -0.43 0.02 -1.28 -1.05 113.55 111.89 1aqw h SER 177 Ca 0.18 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.02 1aqw h SER 177 Cb 0.24 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1aqw h SER 177 CO -0.01 0.29 -0.29 0.00 -1.14 0.00 0.00 176.83 175.68 1aqw h ALA 178 N 1.16 0.98 -0.17 3.77 0.00 -1.24 -2.56 119.26 121.21 1aqw h ALA 178 Ca 0.15 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1aqw h ALA 178 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1aqw h ALA 178 CO -0.06 0.60 0.07 -0.92 0.00 0.00 0.00 179.25 178.94 1aqw h TYR 179 N 0.49 0.25 -0.38 0.00 3.20 -0.69 -0.34 116.97 119.51 1aqw h TYR 179 Ca 0.06 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.93 1aqw h TYR 179 Cb 0.75 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.92 1aqw h TYR 179 CO 0.03 0.31 0.23 0.28 -1.64 0.00 0.00 178.16 177.37 1aqw h VAL 180 N 0.12 1.05 -0.37 1.81 2.07 -1.11 -0.65 116.25 119.17 1aqw h VAL 180 Ca 0.06 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1aqw h VAL 180 Cb 0.17 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1aqw h VAL 180 CO -0.00 0.08 0.18 1.23 0.02 0.00 0.00 177.57 179.08 1aqw h GLY 181 N 0.46 0.58 1.00 2.17 0.00 -1.34 -0.03 103.07 105.91 1aqw h GLY 181 Ca 0.15 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1aqw h GLY 181 CO -0.06 0.27 -0.15 -0.09 0.00 0.00 0.00 176.54 176.51 1aqw h ARG 182 N 0.47 -0.40 -0.33 4.80 2.43 -0.83 -2.11 114.38 118.40 1aqw h ARG 182 Ca 0.13 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.24 1aqw h ARG 182 Cb 0.11 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 1aqw h ARG 182 CO -0.02 -0.26 -0.17 -0.07 -1.51 0.00 0.00 179.97 177.94 1aqw h LEU 183 N -0.42 0.60 -1.99 3.80 4.07 -1.05 -2.51 115.31 117.81 1aqw h LEU 183 Ca -0.04 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.72 1aqw h LEU 183 Cb 0.32 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.90 1aqw h LEU 183 CO 0.07 0.78 -0.05 0.28 -1.08 0.00 0.00 178.44 178.44 1aqw h SER 184 N 0.55 0.00 1.26 -0.43 0.02 -0.83 -2.49 113.55 111.63 1aqw h SER 184 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1aqw h SER 184 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1aqw h SER 184 CO 0.04 0.05 -0.05 0.00 -1.14 0.00 0.00 176.83 175.73 1aqw n ALA 185 N -2.16 2.37 -1.68 3.77 0.00 -0.81 -3.79 120.51 118.21 1aqw n ALA 185 Ca -0.01 -0.07 -0.46 0.00 0.00 0.00 0.00 53.44 52.90 1aqw n ALA 185 Cb 0.23 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 1aqw n ALA 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1aqw n ARG 186 N -2.00 2.45 -0.40 0.00 1.74 -0.94 -4.76 116.66 112.75 1aqw n ARG 186 Ca 0.06 0.90 -0.08 0.00 -0.77 0.00 0.00 57.85 57.95 1aqw n ARG 186 Cb 0.40 -2.77 -0.06 0.00 -1.02 0.00 0.00 32.46 29.00 1aqw n ARG 186 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1aqw n PRO 187 N 6.50 -0.38 -0.16 5.56 -0.04 -1.26 0.45 135.00 145.67 1aqw n PRO 187 Ca 0.21 1.48 -0.04 0.00 -0.04 0.00 0.00 63.50 65.11 1aqw n PRO 187 Cb 0.34 -2.18 0.16 0.00 -0.04 0.00 0.00 33.50 31.78 1aqw n PRO 187 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1aqw h LYS 188 N 0.00 0.90 -0.23 0.54 1.57 -1.90 -1.47 116.57 115.98 1aqw h LYS 188 Ca 0.20 -0.19 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 1aqw h LYS 188 Cb 0.45 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1aqw h LYS 188 CO -0.93 0.80 -0.49 1.25 -0.57 0.00 0.00 179.45 179.51 1aqw h LEU 189 N 0.86 0.83 -0.83 2.94 5.85 -1.47 -2.39 115.31 121.11 1aqw h LEU 189 Ca 0.19 -0.55 0.02 0.00 0.84 0.00 0.00 57.88 58.38 1aqw h LEU 189 Cb 0.31 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1aqw h LEU 189 CO -0.00 1.23 0.54 0.50 -0.34 0.00 0.00 178.44 180.37 1aqw h LYS 190 N 0.47 1.04 -0.39 1.25 3.64 0.31 0.33 116.57 123.21 1aqw h LYS 190 Ca 0.00 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.27 1aqw h LYS 190 Cb 1.10 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 1aqw h LYS 190 CO 0.11 0.69 0.06 0.00 -2.27 0.00 0.00 179.45 178.03 1aqw h ALA 191 N 1.33 0.52 -0.09 5.00 0.00 -1.23 -2.92 119.26 121.87 1aqw h ALA 191 Ca 0.32 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1aqw h ALA 191 Cb -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1aqw h ALA 191 CO -0.10 0.23 0.06 0.35 0.00 0.00 0.00 179.25 179.79 1aqw h PHE 192 N 0.49 0.12 0.00 0.00 3.57 -0.86 -2.00 116.94 118.26 1aqw h PHE 192 Ca 0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1aqw h PHE 192 Cb 0.38 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1aqw h PHE 192 CO 0.03 0.12 0.00 -0.07 -2.23 0.00 0.00 178.31 176.15 1aqw h LEU 193 N 0.09 0.00 -0.15 0.59 3.38 -0.91 -1.18 115.31 117.13 1aqw h LEU 193 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1aqw h LEU 193 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1aqw h LEU 193 CO -0.01 0.00 -0.85 0.00 0.09 0.00 0.00 178.44 177.68 1aqw n ALA 194 N -1.91 4.38 -1.74 1.53 0.00 -0.90 -4.52 120.51 117.35 1aqw n ALA 194 Ca -0.02 -0.56 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 1aqw n ALA 194 Cb 0.08 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.81 1aqw n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1aqw s SER 195 N -2.76 6.09 0.39 0.00 1.04 -0.45 -4.82 113.70 113.19 1aqw s SER 195 Ca 0.09 1.88 0.06 0.00 0.48 0.00 0.00 55.95 58.46 1aqw s SER 195 Cb 0.15 -2.55 0.80 0.00 0.10 0.00 0.00 66.02 64.52 1aqw s SER 195 CO 0.76 -0.95 2.01 -0.65 0.98 0.00 0.00 173.24 175.39 1aqw h PRO 196 N 1.06 0.64 0.00 4.02 0.11 -1.93 0.12 132.00 136.02 1aqw h PRO 196 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1aqw h PRO 196 Cb 1.22 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1aqw h PRO 196 CO 0.58 0.42 -0.03 1.05 -0.21 0.00 0.00 178.00 179.82 1aqw h GLU 197 N 0.66 0.00 0.00 1.05 4.11 -1.93 0.10 114.58 118.58 1aqw h GLU 197 Ca 0.22 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.46 1aqw h GLU 197 Cb 0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1aqw h GLU 197 CO -0.06 0.03 -1.64 0.98 0.07 0.00 0.00 179.01 178.39 1aqw n TYR 198 N -3.38 0.00 -0.27 2.06 9.36 -0.74 -4.51 117.16 119.68 1aqw n TYR 198 Ca -0.02 0.00 0.07 0.00 3.32 0.00 0.00 57.90 61.27 1aqw n TYR 198 Cb 0.14 -0.70 0.31 0.00 -0.63 0.00 0.00 39.34 38.45 1aqw n TYR 198 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1aqw h VAL 199 N -1.00 0.97 -0.30 2.97 2.07 -0.73 -2.49 116.25 117.74 1aqw h VAL 199 Ca -0.29 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1aqw h VAL 199 Cb 1.25 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1aqw h VAL 199 CO -0.18 0.16 0.00 0.59 0.02 0.00 0.00 177.57 178.16 1aqw n ASN 200 N -4.52 1.72 -4.78 0.57 3.02 0.35 -4.81 115.26 106.81 1aqw n ASN 200 Ca 0.15 -1.95 -0.36 0.00 -0.03 0.00 0.00 54.58 52.39 1aqw n ASN 200 Cb 0.31 -0.20 -0.08 0.00 -0.61 0.00 0.00 39.78 39.20 1aqw n ASN 200 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1aqw s LEU 201 N -1.09 4.08 0.63 3.41 1.43 -0.94 -5.05 118.68 121.15 1aqw s LEU 201 Ca 0.23 0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 53.49 1aqw s LEU 201 Cb 0.12 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 1aqw s LEU 201 CO 0.17 0.34 1.08 -2.16 0.23 0.00 0.00 176.35 176.00 1aqw s PRO 202 N -0.63 3.06 0.02 1.29 0.04 -1.26 -4.75 135.00 132.77 1aqw s PRO 202 Ca 0.12 1.24 -0.24 0.00 0.04 0.00 0.00 61.00 62.15 1aqw s PRO 202 Cb -0.12 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.25 1aqw s PRO 202 CO 0.02 -1.02 1.39 0.82 0.04 0.00 0.00 177.00 178.25 1aqw h ILE 203 N 0.11 1.30 -2.47 0.56 2.04 -1.95 -0.82 117.51 116.28 1aqw h ILE 203 Ca -0.46 -0.93 -0.62 0.00 1.00 0.00 0.00 64.86 63.85 1aqw h ILE 203 Cb 1.23 1.83 -0.15 0.00 -0.74 0.00 0.00 36.82 38.99 1aqw h ILE 203 CO 0.56 0.25 -0.76 0.20 0.00 0.00 0.00 178.15 178.40 1aqw s ASN 204 N -5.68 3.65 0.00 1.72 -0.87 -1.26 -0.93 114.94 111.57 1aqw s ASN 204 Ca -0.15 -0.95 0.18 0.00 -1.57 0.00 0.00 52.86 50.37 1aqw s ASN 204 Cb 0.03 -0.35 0.91 0.00 -0.02 0.00 0.00 41.25 41.83 1aqw s ASN 204 CO 0.69 0.06 1.51 0.61 -2.57 0.00 0.00 177.10 177.40 1aqw n GLY 205 N -0.41 -0.81 0.59 0.66 0.00 -1.26 -2.76 105.19 101.20 1aqw n GLY 205 Ca -0.07 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 45.92 1aqw n GLY 205 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1aqw n ASN 206 N -1.24 2.97 0.00 1.61 6.94 -1.26 -4.97 115.26 119.31 1aqw n ASN 206 Ca 0.09 -2.21 0.00 0.00 -0.02 0.00 0.00 54.58 52.44 1aqw n ASN 206 Cb 0.13 -0.26 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 1aqw n ASN 206 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1aqw n GLY 207 N 0.15 1.74 3.87 4.83 0.00 -1.11 -4.99 105.19 109.69 1aqw n GLY 207 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1aqw n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqw s LYS 208 N -0.08 3.81 0.00 1.61 1.02 -1.26 -4.96 119.74 119.88 1aqw s LYS 208 Ca 0.00 0.39 0.00 0.00 0.02 0.00 0.00 55.97 56.38 1aqw s LYS 208 Cb 0.00 -2.51 0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1aqw s LYS 208 CO 0.00 0.14 0.00 0.00 -0.92 0.00 0.00 175.35 174.57