#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 0.54 -4.49 0.52 -0.04 -1.24 -4.84 135.00 125.45 1aqw n PRO 2 Ca 0.00 -0.32 -0.31 0.00 -0.04 0.00 0.00 63.50 62.82 1aqw n PRO 2 Cb 0.00 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.69 2.76 -0.04 0.54 2.02 -1.24 -2.99 117.35 115.71 1aqw s TYR 3 Ca 0.19 -0.12 0.03 0.00 -0.37 0.00 0.00 57.07 56.79 1aqw s TYR 3 Cb 0.18 -1.54 0.01 0.00 -0.40 0.00 0.00 41.96 40.22 1aqw s TYR 3 CO 0.59 0.34 -0.11 0.99 -1.57 0.00 0.00 175.55 175.79 1aqw s THR 4 N -1.01 1.01 -0.18 -0.71 2.01 -0.63 -0.77 115.64 115.35 1aqw s THR 4 Ca 0.17 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.70 1aqw s THR 4 Cb -0.11 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 1aqw s THR 4 CO 0.08 0.32 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.54 1aqw s VAL 5 N 0.40 3.11 -0.21 3.82 1.01 0.11 -1.17 120.40 127.47 1aqw s VAL 5 Ca -0.08 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1aqw s VAL 5 Cb -0.12 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1aqw s VAL 5 CO 0.02 0.48 -0.10 -0.69 0.00 0.00 0.00 175.10 174.81 1aqw s VAL 6 N 1.01 2.89 0.14 2.92 1.01 -0.30 -0.05 120.40 128.03 1aqw s VAL 6 Ca -0.01 -0.66 -0.25 0.00 0.00 0.00 0.00 61.98 61.06 1aqw s VAL 6 Cb -0.15 -2.29 0.07 0.00 0.00 0.00 0.00 36.38 34.01 1aqw s VAL 6 CO -0.01 0.46 1.01 -0.47 0.00 0.00 0.00 175.10 176.09 1aqw s TYR 7 N 1.41 -0.10 0.71 5.22 5.04 -0.95 -1.89 117.35 126.79 1aqw s TYR 7 Ca 0.05 -0.19 -0.11 0.00 -2.44 0.00 0.00 57.07 54.38 1aqw s TYR 7 Cb -0.14 0.63 0.02 0.00 0.35 0.00 0.00 41.96 42.83 1aqw s TYR 7 CO -0.07 -0.77 1.07 -0.06 -1.34 0.00 0.00 175.55 174.38 1aqw s PHE 8 N -3.08 2.93 -1.29 4.97 0.08 -1.26 -0.98 117.98 119.35 1aqw s PHE 8 Ca 0.13 1.47 -0.16 0.00 0.12 0.00 0.00 56.93 58.49 1aqw s PHE 8 Cb -0.01 -2.95 -0.01 0.00 -0.57 0.00 0.00 43.02 39.49 1aqw s PHE 8 CO 0.02 -1.41 2.14 -0.35 -0.10 0.00 0.00 175.22 175.52 1aqw n PRO 9 N -3.16 2.52 -3.81 0.24 -0.04 -1.26 -4.81 135.00 124.69 1aqw n PRO 9 Ca 0.08 -2.44 -0.09 0.00 -0.04 0.00 0.00 63.50 61.01 1aqw n PRO 9 Cb 0.53 -3.21 -0.06 0.00 -0.04 0.00 0.00 33.50 30.72 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 3.75 0.11 -0.05 0.52 -7.23 -1.26 -4.43 120.40 111.80 1aqw s VAL 10 Ca 0.50 -1.05 -0.14 0.00 -1.81 0.00 0.00 61.98 59.48 1aqw s VAL 10 Cb 0.14 -1.39 -0.08 0.00 0.56 0.00 0.00 36.38 35.60 1aqw s VAL 10 CO -0.03 -0.49 0.57 0.03 -0.31 0.00 0.00 175.10 174.87 1aqw h ARG 11 N 2.60 -0.39 0.00 4.82 3.08 -1.09 -3.46 114.38 119.95 1aqw h ARG 11 Ca -0.33 0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1aqw h ARG 11 Cb 1.22 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1aqw h ARG 11 CO 0.52 -0.19 0.00 0.41 -1.07 0.00 0.00 179.97 179.64 1aqw n GLY 12 N 0.66 2.17 0.05 0.04 0.00 0.01 -1.43 105.19 106.68 1aqw n GLY 12 Ca -0.06 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 12.05 1.06 -0.00 1.61 1.74 -1.26 -3.24 116.66 128.62 1aqw n ARG 13 Ca 0.00 -0.10 0.06 0.00 -0.77 0.00 0.00 57.85 57.04 1aqw n ARG 13 Cb 0.00 -1.24 -0.07 0.00 -1.02 0.00 0.00 32.46 30.13 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 1.62 0.33 -0.54 0.00 0.00 -1.23 -1.63 119.26 117.81 1aqw h ALA 15 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1aqw h ALA 15 Cb 0.31 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1aqw h ALA 15 CO 0.00 -0.42 0.10 0.00 0.00 0.00 0.00 179.25 178.93 1aqw h ALA 16 N 1.37 0.72 -0.04 0.00 0.00 -1.83 -1.33 119.26 118.14 1aqw h ALA 16 Ca 0.19 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1aqw h ALA 16 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1aqw h ALA 16 CO -0.36 0.45 -0.48 1.37 0.00 0.00 0.00 179.25 180.23 1aqw h LEU 17 N 0.78 0.12 -0.35 0.00 8.10 -1.78 -1.69 115.31 120.50 1aqw h LEU 17 Ca 0.16 -0.06 -0.08 0.00 0.11 0.00 0.00 57.88 58.02 1aqw h LEU 17 Cb 0.40 -0.03 -0.01 0.00 -0.44 0.00 0.00 40.66 40.57 1aqw h LEU 17 CO 0.01 0.59 -0.10 0.03 -4.11 0.00 0.00 178.44 174.85 1aqw h ARG 18 N 0.09 0.68 -0.73 0.17 3.08 -1.06 -0.85 114.38 115.77 1aqw h ARG 18 Ca 0.00 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.79 1aqw h ARG 18 Cb 0.89 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.87 1aqw h ARG 18 CO 0.07 0.85 0.47 0.52 -1.07 0.00 0.00 179.97 180.81 1aqw h MET 19 N 0.47 0.97 -0.20 0.04 2.86 -0.99 -0.15 114.93 117.93 1aqw h MET 19 Ca 0.09 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1aqw h MET 19 Cb 0.61 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 1aqw h MET 19 CO 0.04 0.66 0.12 1.25 1.06 0.00 0.00 176.91 180.03 1aqw h LEU 20 N 0.99 0.24 -0.26 1.22 6.46 -1.09 -0.18 115.31 122.68 1aqw h LEU 20 Ca 0.26 -0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1aqw h LEU 20 Cb -0.08 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 1aqw h LEU 20 CO -0.05 0.22 0.11 -0.07 -0.62 0.00 0.00 178.44 178.02 1aqw h LEU 21 N 0.23 0.36 -0.05 2.25 3.38 -0.74 -1.09 115.31 119.65 1aqw h LEU 21 Ca 0.07 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1aqw h LEU 21 Cb 0.03 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1aqw h LEU 21 CO -0.01 0.41 0.03 0.00 0.09 0.00 0.00 178.44 178.96 1aqw h ALA 22 N 0.96 0.07 -0.08 1.53 0.00 -0.92 -0.29 119.26 120.52 1aqw h ALA 22 Ca 0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1aqw h ALA 22 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1aqw h ALA 22 CO -0.01 -0.40 -0.25 0.22 0.00 0.00 0.00 179.25 178.81 1aqw h ASP 23 N 0.01 0.14 -0.13 0.00 3.58 -0.97 -1.77 116.42 117.28 1aqw h ASP 23 Ca 0.02 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1aqw h ASP 23 Cb 0.06 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.08 1aqw h ASP 23 CO -0.00 0.40 0.00 0.00 -2.88 0.00 0.00 179.24 176.75 1aqw n GLN 24 N -4.19 1.63 -2.94 0.28 1.13 -0.42 -4.81 117.38 108.05 1aqw n GLN 24 Ca -0.01 -0.94 -0.17 0.00 -1.94 0.00 0.00 57.00 53.93 1aqw n GLN 24 Cb 0.34 -1.39 0.03 0.00 0.11 0.00 0.00 30.24 29.33 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 1.09 -0.23 3.89 1.08 0.00 -0.67 -5.01 105.19 105.34 1aqw n GLY 25 Ca 0.16 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.55 3.50 -0.04 1.61 -1.52 -0.17 -5.04 119.66 112.45 1aqw s GLN 26 Ca 0.28 -0.18 -0.12 0.00 -1.95 0.00 0.00 55.36 53.39 1aqw s GLN 26 Cb -0.12 -3.11 -0.05 0.00 -0.22 0.00 0.00 33.01 29.51 1aqw s GLN 26 CO 0.34 0.68 0.33 -1.54 -0.25 0.00 0.00 175.29 174.86 1aqw s SER 27 N -1.67 6.68 0.12 5.90 1.04 -1.26 -4.55 113.70 119.97 1aqw s SER 27 Ca 0.25 0.81 -0.12 0.00 0.48 0.00 0.00 55.95 57.38 1aqw s SER 27 Cb -0.13 -2.20 0.01 0.00 0.10 0.00 0.00 66.02 63.81 1aqw s SER 27 CO 0.15 0.35 0.30 -1.66 0.98 0.00 0.00 173.24 173.35 1aqw s TRP 28 N -1.04 0.06 0.01 5.02 -2.14 -1.26 -3.67 118.94 115.92 1aqw s TRP 28 Ca 0.21 -0.44 0.07 0.00 2.66 0.00 0.00 56.10 58.60 1aqw s TRP 28 Cb -0.15 0.07 -0.03 0.00 -3.10 0.00 0.00 33.47 30.26 1aqw s TRP 28 CO 0.10 -0.65 -0.22 0.21 -2.66 0.00 0.00 176.95 173.74 1aqw s LYS 29 N -3.86 2.09 -0.18 3.25 2.20 0.05 -4.96 119.74 118.32 1aqw s LYS 29 Ca 0.07 -0.95 -0.07 0.00 -0.36 0.00 0.00 55.97 54.65 1aqw s LYS 29 Cb 0.03 -2.13 -0.04 0.00 -1.51 0.00 0.00 37.83 34.18 1aqw s LYS 29 CO -0.09 0.55 0.07 -1.21 -0.36 0.00 0.00 175.35 174.31 1aqw s GLU 30 N -1.04 3.96 -0.39 4.03 0.41 -1.26 -0.72 118.70 123.69 1aqw s GLU 30 Ca 0.12 -0.33 -0.02 0.00 -0.41 0.00 0.00 54.97 54.33 1aqw s GLU 30 Cb -0.10 -3.22 0.10 0.00 -1.78 0.00 0.00 34.13 29.13 1aqw s GLU 30 CO 0.02 0.30 0.16 -1.21 -0.49 0.00 0.00 175.26 174.04 1aqw s GLU 31 N 0.29 2.00 0.17 1.61 0.41 0.93 -4.95 118.70 119.16 1aqw s GLU 31 Ca 0.04 -1.75 -0.30 0.00 -0.41 0.00 0.00 54.97 52.55 1aqw s GLU 31 Cb -0.12 -3.48 -0.07 0.00 -1.78 0.00 0.00 34.13 28.67 1aqw s GLU 31 CO 0.00 -0.99 0.96 0.08 -0.49 0.00 0.00 175.26 174.81 1aqw s VAL 32 N 1.13 4.30 -0.25 2.63 1.01 -1.26 -2.23 120.40 125.73 1aqw s VAL 32 Ca 0.07 2.07 -0.02 0.00 0.00 0.00 0.00 61.98 64.10 1aqw s VAL 32 Cb -0.22 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 31.87 1aqw s VAL 32 CO -0.04 0.40 -0.06 -0.69 0.00 0.00 0.00 175.10 174.71 1aqw s VAL 33 N -0.52 2.91 0.44 2.92 1.01 -0.15 -4.93 120.40 122.07 1aqw s VAL 33 Ca 0.44 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1aqw s VAL 33 Cb -0.25 -2.48 -0.06 0.00 0.00 0.00 0.00 36.38 33.60 1aqw s VAL 33 CO 0.31 0.19 0.79 0.42 0.00 0.00 0.00 175.10 176.81 1aqw s THR 34 N 1.33 4.81 0.26 3.92 -4.23 -1.26 -4.07 115.64 116.40 1aqw s THR 34 Ca 0.00 0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 61.03 1aqw s THR 34 Cb -0.17 -3.77 0.25 0.00 1.34 0.00 0.00 72.50 70.15 1aqw s THR 34 CO -0.04 -0.64 1.79 -0.37 -0.54 0.00 0.00 174.62 174.82 1aqw h VAL 35 N 0.80 0.82 -0.51 2.29 -1.51 -1.99 -0.01 116.25 116.15 1aqw h VAL 35 Ca -0.47 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 64.71 1aqw h VAL 35 Cb 1.19 -0.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.32 1aqw h VAL 35 CO 0.63 0.14 0.22 1.05 -1.23 0.00 0.00 177.57 178.38 1aqw h GLU 36 N 0.77 0.74 -0.47 5.19 9.09 -1.97 0.99 114.58 128.91 1aqw h GLU 36 Ca 0.46 -0.12 0.01 0.00 0.05 0.00 0.00 59.36 59.76 1aqw h GLU 36 Cb 0.55 -0.13 -0.03 0.00 -1.65 0.00 0.00 28.75 27.50 1aqw h GLU 36 CO -0.31 0.64 0.30 1.15 0.05 0.00 0.00 179.01 180.84 1aqw h THR 37 N 0.67 1.10 -0.81 -1.06 2.02 -1.59 -1.90 112.91 111.34 1aqw h THR 37 Ca 0.17 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1aqw h THR 37 Cb 0.16 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 66.96 1aqw h THR 37 CO -0.02 0.11 0.39 -0.25 0.37 0.00 0.00 175.52 176.13 1aqw h TRP 38 N 0.61 1.15 0.00 3.16 2.91 -0.59 -1.49 115.95 121.71 1aqw h TRP 38 Ca 0.18 -0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1aqw h TRP 38 Cb -0.04 -0.36 0.00 0.00 -0.51 0.00 0.00 29.16 28.25 1aqw h TRP 38 CO -0.05 0.83 0.00 1.04 -1.03 0.00 0.00 178.44 179.23 1aqw n GLN 39 N -4.31 0.43 0.00 2.65 6.02 0.30 -1.95 117.38 120.52 1aqw n GLN 39 Ca 0.08 0.06 0.14 0.00 -0.01 0.00 0.00 57.00 57.27 1aqw n GLN 39 Cb 0.13 -1.50 0.77 0.00 1.02 0.00 0.00 30.24 30.66 1aqw n GLN 39 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1aqw n GLU 40 N -1.20 0.54 0.00 -1.09 0.00 -0.56 -4.92 120.64 113.41 1aqw n GLU 40 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.30 1aqw n GLU 40 Cb 0.15 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.09 1aqw n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aqw n GLY 41 N 1.08 1.54 0.22 8.31 0.00 -0.82 -4.83 105.19 110.69 1aqw n GLY 41 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 -0.49 -0.30 1.61 0.02 -1.84 -2.02 113.55 110.53 1aqw h SER 42 Ca 0.00 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1aqw h SER 42 Cb 0.00 0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1aqw h SER 42 CO 0.00 -0.26 0.17 0.25 -1.14 0.00 0.00 176.83 175.85 1aqw h LEU 43 N -0.37 0.27 -0.25 5.07 5.85 -1.87 -2.53 115.31 121.48 1aqw h LEU 43 Ca 0.02 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1aqw h LEU 43 Cb 0.37 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 1aqw h LEU 43 CO -0.08 0.20 -0.09 0.50 -0.34 0.00 0.00 178.44 178.63 1aqw h LYS 44 N 0.35 -0.04 -0.82 1.25 3.64 -1.81 -1.08 116.57 118.06 1aqw h LYS 44 Ca 0.12 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.68 1aqw h LYS 44 Cb 0.01 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.73 1aqw h LYS 44 CO -0.06 -0.03 0.34 0.00 -2.27 0.00 0.00 179.45 177.43 1aqw h ALA 45 N 1.20 1.22 0.00 5.00 0.00 -1.08 0.27 119.26 125.86 1aqw h ALA 45 Ca 0.13 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1aqw h ALA 45 Cb 0.24 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1aqw h ALA 45 CO -0.29 -0.26 0.00 0.66 0.00 0.00 0.00 179.25 179.37 1aqw h SER 46 N 0.43 0.00 -3.13 0.00 4.64 -0.80 -3.44 113.55 111.24 1aqw h SER 46 Ca 0.48 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 61.25 1aqw h SER 46 Cb 0.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1aqw h SER 46 CO -0.46 0.00 0.63 0.00 -0.87 0.00 0.00 176.83 176.13 1aqw h LEU 48 N 7.47 -1.26 -3.32 0.00 5.85 -1.85 0.18 115.31 122.37 1aqw h LEU 48 Ca -0.38 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1aqw h LEU 48 Cb 1.19 0.66 0.00 0.00 0.37 0.00 0.00 40.66 42.88 1aqw h LEU 48 CO 0.84 -0.30 0.00 -1.22 -0.34 0.00 0.00 178.44 177.43 1aqw n TYR 49 N -5.46 1.19 -2.08 1.25 4.01 -1.26 -4.95 117.16 109.85 1aqw n TYR 49 Ca 0.08 -0.83 -0.19 0.00 -0.16 0.00 0.00 57.90 56.80 1aqw n TYR 49 Cb 0.38 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.22 0.37 3.15 2.72 0.00 0.61 -4.99 105.19 106.83 1aqw n GLY 50 Ca 0.23 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.49 0.79 0.28 1.61 -0.21 -1.26 -4.90 119.66 111.49 1aqw s GLN 51 Ca 0.00 -1.24 0.07 0.00 0.02 0.00 0.00 55.36 54.22 1aqw s GLN 51 Cb 0.00 0.26 -0.03 0.00 1.00 0.00 0.00 33.01 34.23 1aqw s GLN 51 CO 0.00 -0.21 0.20 -0.51 -2.12 0.00 0.00 175.29 172.66 1aqw s LEU 52 N -2.95 3.67 0.75 2.90 1.43 -1.26 -4.68 118.68 118.54 1aqw s LEU 52 Ca 0.13 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 1aqw s LEU 52 Cb 0.07 -2.22 0.04 0.00 0.03 0.00 0.00 46.19 44.11 1aqw s LEU 52 CO -0.06 -0.14 1.08 -2.16 0.23 0.00 0.00 176.35 175.30 1aqw s PRO 53 N -3.87 2.48 0.01 1.29 0.04 -1.26 -4.95 135.00 128.73 1aqw s PRO 53 Ca 0.35 0.97 0.06 0.00 0.04 0.00 0.00 61.00 62.43 1aqw s PRO 53 Cb -0.07 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 1aqw s PRO 53 CO 0.25 -1.43 -0.20 0.21 0.04 0.00 0.00 177.00 175.87 1aqw s LYS 54 N -5.00 1.51 -0.01 4.56 2.20 -0.79 -3.87 119.74 118.33 1aqw s LYS 54 Ca 0.60 -0.78 0.02 0.00 -0.36 0.00 0.00 55.97 55.45 1aqw s LYS 54 Cb -0.15 -1.51 -0.00 0.00 -1.51 0.00 0.00 37.83 34.65 1aqw s LYS 54 CO 0.55 0.41 -0.07 0.12 -0.36 0.00 0.00 175.35 176.00 1aqw s PHE 55 N -0.58 0.68 -0.17 4.03 5.36 0.53 -1.14 117.98 126.69 1aqw s PHE 55 Ca 0.07 -0.13 0.01 0.00 -0.96 0.00 0.00 56.93 55.91 1aqw s PHE 55 Cb -0.08 -0.45 0.01 0.00 -0.34 0.00 0.00 43.02 42.16 1aqw s PHE 55 CO 0.00 -0.03 -0.17 -0.65 -1.46 0.00 0.00 175.22 172.91 1aqw s GLN 56 N -0.09 3.11 -0.55 10.12 -1.52 -0.32 -0.29 119.66 130.11 1aqw s GLN 56 Ca 0.02 -0.79 0.04 0.00 -1.95 0.00 0.00 55.36 52.68 1aqw s GLN 56 Cb -0.04 -2.61 0.15 0.00 -0.22 0.00 0.00 33.01 30.29 1aqw s GLN 56 CO -0.00 -0.10 0.34 0.34 -0.25 0.00 0.00 175.29 175.61 1aqw s ASP 57 N 1.08 4.10 1.65 5.90 -1.08 0.10 -1.61 116.67 126.81 1aqw s ASP 57 Ca -0.00 -3.21 0.00 0.00 -0.52 0.00 0.00 52.55 48.82 1aqw s ASP 57 Cb -0.14 -1.40 0.00 0.00 -1.46 0.00 0.00 42.92 39.91 1aqw s ASP 57 CO -0.06 -0.19 0.00 0.61 0.52 0.00 0.00 175.17 176.06 1aqw n GLY 58 N 2.81 3.16 0.24 2.66 0.00 -1.16 -1.56 105.19 111.34 1aqw n GLY 58 Ca 0.13 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 7.68 0.74 -4.66 1.61 5.68 -1.26 -4.79 116.55 121.56 1aqw n ASP 59 Ca 0.00 -1.29 -0.37 0.00 -0.50 0.00 0.00 54.79 52.63 1aqw n ASP 59 Cb 0.00 -0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 39.88 1aqw n ASP 59 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1aqw s LEU 60 N -1.93 4.11 -0.15 -2.12 2.96 -0.60 -5.07 118.68 115.88 1aqw s LEU 60 Ca 0.41 0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 54.46 1aqw s LEU 60 Cb 0.20 -2.17 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 1aqw s LEU 60 CO 0.33 0.03 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.43 1aqw s THR 61 N 1.17 3.49 0.17 3.68 2.01 -1.26 -0.72 115.64 124.18 1aqw s THR 61 Ca 0.09 -0.50 0.08 0.00 0.31 0.00 0.00 61.69 61.67 1aqw s THR 61 Cb -0.14 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 1aqw s THR 61 CO 0.06 0.50 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.56 1aqw s LEU 62 N 0.43 2.46 0.27 4.42 1.43 0.60 -4.96 118.68 123.34 1aqw s LEU 62 Ca -0.06 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.17 1aqw s LEU 62 Cb -0.15 -0.73 -0.06 0.00 0.03 0.00 0.00 46.19 45.29 1aqw s LEU 62 CO 0.04 -0.10 0.06 -0.31 0.23 0.00 0.00 176.35 176.27 1aqw s TYR 63 N -2.33 1.69 0.00 0.29 1.51 -1.26 -0.34 117.35 116.91 1aqw s TYR 63 Ca 0.16 -1.03 -0.00 0.00 -1.01 0.00 0.00 57.07 55.19 1aqw s TYR 63 Cb -0.04 -1.03 0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1aqw s TYR 63 CO 0.06 -0.13 0.00 1.04 -1.11 0.00 0.00 175.55 175.40 1aqw n GLN 64 N -0.53 -0.01 -0.30 -0.62 1.13 -1.25 -4.55 117.38 111.26 1aqw n GLN 64 Ca -0.02 0.50 0.08 0.00 -1.94 0.00 0.00 57.00 55.62 1aqw n GLN 64 Cb 0.66 -0.52 0.23 0.00 0.11 0.00 0.00 30.24 30.72 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 0.01 0.53 0.87 1.08 4.64 -1.89 -0.62 113.55 118.17 1aqw h SER 65 Ca -0.00 0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 1aqw h SER 65 Cb 0.00 0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1aqw h SER 65 CO 0.00 0.21 -0.36 0.78 -0.87 0.00 0.00 176.83 176.59 1aqw h ASN 66 N 0.62 0.00 -0.32 4.97 4.21 -1.92 -1.52 115.58 121.61 1aqw h ASN 66 Ca 0.47 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.83 1aqw h ASN 66 Cb 0.68 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.88 1aqw h ASN 66 CO -0.37 0.36 -0.39 0.74 -1.29 0.00 0.00 177.43 176.47 1aqw h THR 67 N 0.00 1.29 -0.48 2.81 2.02 -1.40 -1.24 112.91 115.90 1aqw h THR 67 Ca -0.00 -1.57 -0.04 0.00 0.77 0.00 0.00 66.41 65.57 1aqw h THR 67 Cb 0.89 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.82 1aqw h THR 67 CO 0.05 0.51 0.16 0.40 0.37 0.00 0.00 175.52 177.01 1aqw h ILE 68 N 0.61 1.22 -0.35 3.11 2.04 -0.99 -0.30 117.51 122.85 1aqw h ILE 68 Ca 0.04 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1aqw h ILE 68 Cb 0.99 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1aqw h ILE 68 CO 0.09 0.27 0.22 -0.07 0.00 0.00 0.00 178.15 178.67 1aqw h LEU 69 N 0.65 0.42 -1.00 1.44 3.38 -1.20 -1.17 115.31 117.83 1aqw h LEU 69 Ca 0.16 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1aqw h LEU 69 Cb 0.26 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1aqw h LEU 69 CO -0.01 0.33 0.13 0.03 0.09 0.00 0.00 178.44 179.01 1aqw h ARG 70 N 0.47 0.86 -0.23 1.13 3.08 -0.99 0.15 114.38 118.85 1aqw h ARG 70 Ca 0.13 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1aqw h ARG 70 Cb -0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1aqw h ARG 70 CO -0.03 0.77 0.10 1.25 -1.07 0.00 0.00 179.97 181.00 1aqw h HIS 71 N 0.82 0.34 -0.48 3.04 2.76 -0.65 0.45 115.15 121.43 1aqw h HIS 71 Ca 0.18 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.24 1aqw h HIS 71 Cb 0.30 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 29.14 1aqw h HIS 71 CO 0.02 0.35 -0.07 -0.07 -1.30 0.00 0.00 177.93 176.85 1aqw h LEU 72 N 0.23 0.83 -0.30 0.26 3.38 -1.05 -1.57 115.31 117.09 1aqw h LEU 72 Ca 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1aqw h LEU 72 Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1aqw h LEU 72 CO -0.01 0.94 0.18 1.23 0.09 0.00 0.00 178.44 180.87 1aqw h GLY 73 N 0.98 0.44 1.99 0.83 0.00 -0.55 0.12 103.07 106.89 1aqw h GLY 73 Ca 0.13 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.09 1aqw h GLY 73 CO 0.03 0.18 -0.88 0.07 0.00 0.00 0.00 176.54 175.95 1aqw h ARG 74 N 0.38 0.00 0.05 4.80 0.11 -0.84 0.26 114.38 119.15 1aqw h ARG 74 Ca 0.11 -0.01 -0.24 0.00 0.10 0.00 0.00 59.98 59.94 1aqw h ARG 74 Cb 0.03 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 1aqw h ARG 74 CO -0.02 0.88 -1.16 1.79 0.10 0.00 0.00 179.97 181.55 1aqw h THR 75 N 0.00 1.55 -0.02 0.08 1.35 -1.15 -3.30 112.91 111.42 1aqw h THR 75 Ca -0.01 -3.22 0.00 0.00 -0.55 0.00 0.00 66.41 62.63 1aqw h THR 75 Cb 1.55 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.81 1aqw h THR 75 CO 0.11 0.91 -0.07 0.18 -0.25 0.00 0.00 175.52 176.40 1aqw n LEU 76 N -3.40 2.28 -1.28 3.87 4.77 0.42 -4.97 117.00 118.69 1aqw n LEU 76 Ca -0.05 -0.76 -0.06 0.00 -0.03 0.00 0.00 56.01 55.11 1aqw n LEU 76 Cb 0.98 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 42.08 1aqw n LEU 76 CO 0.49 0.39 0.06 0.61 -1.33 0.00 0.00 177.39 177.60 1aqw n GLY 77 N 1.30 0.55 2.43 -0.72 0.00 -0.81 -4.98 105.19 102.97 1aqw n GLY 77 Ca 0.15 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.60 5.02 -2.00 0.99 4.77 0.87 -4.73 117.00 120.31 1aqw n LEU 78 Ca -0.01 -5.09 -0.00 0.00 -0.03 0.00 0.00 56.01 50.88 1aqw n LEU 78 Cb 0.52 -0.50 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1aqw n LEU 78 CO 0.15 2.17 0.07 0.00 -1.33 0.00 0.00 177.39 178.46 1aqw n TYR 79 N -0.53 0.80 0.00 -1.77 4.19 -1.23 -1.54 117.16 117.08 1aqw n TYR 79 Ca 0.41 -1.44 0.00 0.00 3.31 0.00 0.00 57.90 60.18 1aqw n TYR 79 Cb 0.68 -0.21 0.00 0.00 0.49 0.00 0.00 39.34 40.30 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 -0.24 -1.14 0.07 2.98 0.00 -1.26 -3.71 105.19 101.89 1aqw n GLY 80 Ca 0.12 -1.62 0.11 0.00 0.00 0.00 0.00 46.02 44.64 1aqw n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aqw n LYS 81 N -1.19 0.47 -2.95 1.61 2.85 -1.26 -4.85 118.16 112.84 1aqw n LYS 81 Ca 0.00 0.03 -0.08 0.00 -1.05 0.00 0.00 58.31 57.22 1aqw n LYS 81 Cb 0.00 -1.69 -0.00 0.00 -0.65 0.00 0.00 35.03 32.68 1aqw n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1aqw n ASP 82 N -2.31 -1.11 -0.13 -5.58 5.68 -1.26 -5.04 116.55 106.79 1aqw n ASP 82 Ca 0.01 -2.12 -0.03 0.00 -0.50 0.00 0.00 54.79 52.15 1aqw n ASP 82 Cb 0.50 1.96 0.20 0.00 -1.14 0.00 0.00 41.12 42.63 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 0.83 -0.58 0.11 4.20 -1.94 -1.02 115.11 116.71 1aqw h GLN 83 Ca -0.19 -0.16 -0.11 0.00 0.06 0.00 0.00 58.65 58.25 1aqw h GLN 83 Cb 0.77 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1aqw h GLN 83 CO 0.25 0.74 -0.05 1.96 -0.67 0.00 0.00 178.83 181.06 1aqw h GLN 84 N 0.81 1.06 -0.39 1.46 7.50 -1.98 -2.35 115.11 121.22 1aqw h GLN 84 Ca 0.18 -0.36 -0.13 0.00 0.50 0.00 0.00 58.65 58.84 1aqw h GLN 84 Cb 0.27 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.71 1aqw h GLN 84 CO -0.00 1.06 -0.25 0.93 -1.50 0.00 0.00 178.83 179.06 1aqw h GLU 85 N 0.95 0.86 -0.86 1.46 5.08 -1.83 -2.57 114.58 117.67 1aqw h GLU 85 Ca 0.16 -0.40 0.08 0.00 -1.00 0.00 0.00 59.36 58.19 1aqw h GLU 85 Cb 0.61 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 1aqw h GLU 85 CO 0.04 1.04 0.52 0.00 -1.00 0.00 0.00 179.01 179.61 1aqw h ALA 86 N 0.79 1.21 -0.62 3.43 0.00 -1.04 0.05 119.26 123.08 1aqw h ALA 86 Ca 0.08 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1aqw h ALA 86 Cb 0.82 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1aqw h ALA 86 CO 0.07 0.22 0.15 0.00 0.00 0.00 0.00 179.25 179.69 1aqw h ALA 87 N 1.43 0.82 -0.62 0.00 0.00 -1.29 -1.21 119.26 118.38 1aqw h ALA 87 Ca 0.39 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1aqw h ALA 87 Cb 0.26 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1aqw h ALA 87 CO -0.20 0.53 0.09 -0.07 0.00 0.00 0.00 179.25 179.60 1aqw h LEU 88 N 0.91 0.98 -0.32 0.00 3.38 -0.95 -1.12 115.31 118.18 1aqw h LEU 88 Ca 0.19 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1aqw h LEU 88 Cb 0.36 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1aqw h LEU 88 CO 0.00 0.98 0.20 0.58 0.09 0.00 0.00 178.44 180.29 1aqw h VAL 89 N 0.96 1.11 -0.50 1.22 2.07 -0.78 -1.92 116.25 118.40 1aqw h VAL 89 Ca 0.19 -0.24 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1aqw h VAL 89 Cb 0.43 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1aqw h VAL 89 CO 0.01 0.11 0.30 0.44 0.02 0.00 0.00 177.57 178.45 1aqw h ASP 90 N 0.42 0.49 -0.75 0.57 3.32 -0.96 -1.10 116.42 118.41 1aqw h ASP 90 Ca 0.12 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.19 1aqw h ASP 90 Cb -0.00 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.41 1aqw h ASP 90 CO -0.02 0.34 0.50 -0.03 -1.72 0.00 0.00 179.24 178.31 1aqw h MET 91 N 0.60 0.95 -0.06 3.56 4.05 -0.88 0.31 114.93 123.47 1aqw h MET 91 Ca 0.20 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 1aqw h MET 91 Cb 0.02 -0.22 -0.00 0.00 -0.80 0.00 0.00 31.60 30.60 1aqw h MET 91 CO -0.09 0.63 -0.08 0.28 0.23 0.00 0.00 176.91 177.88 1aqw h VAL 92 N 0.98 1.39 -0.89 -5.77 2.07 -1.03 -2.79 116.25 110.21 1aqw h VAL 92 Ca 0.28 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.53 1aqw h VAL 92 Cb -0.06 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 1aqw h VAL 92 CO -0.07 0.36 0.58 -1.13 0.02 0.00 0.00 177.57 177.33 1aqw h ASN 93 N -0.30 0.99 -0.45 0.57 -0.73 -0.72 -0.76 115.58 114.19 1aqw h ASN 93 Ca 0.01 -0.02 -0.04 0.00 1.87 0.00 0.00 56.30 58.12 1aqw h ASN 93 Cb 0.62 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.94 1aqw h ASN 93 CO 0.02 0.71 0.14 0.44 -0.37 0.00 0.00 177.43 178.37 1aqw h ASP 94 N 1.17 0.70 -0.46 1.15 3.32 -0.99 -0.61 116.42 120.71 1aqw h ASP 94 Ca 0.34 -0.11 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 1aqw h ASP 94 Cb -0.09 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 1aqw h ASP 94 CO -0.09 0.68 -0.09 1.23 -1.72 0.00 0.00 179.24 179.25 1aqw h GLY 95 N 0.92 0.94 0.97 2.75 0.00 -1.05 -2.16 103.07 105.44 1aqw h GLY 95 Ca 0.17 -0.76 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1aqw h GLY 95 CO -0.01 0.70 0.23 -2.08 0.00 0.00 0.00 176.54 175.38 1aqw h VAL 96 N 0.71 1.16 -0.86 4.60 2.07 -0.69 -2.72 116.25 120.51 1aqw h VAL 96 Ca 0.12 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1aqw h VAL 96 Cb 0.63 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 1aqw h VAL 96 CO 0.04 0.17 0.49 -0.08 0.02 0.00 0.00 177.57 178.21 1aqw h GLU 97 N 0.56 1.19 -0.43 1.57 4.57 -1.05 0.09 114.58 121.08 1aqw h GLU 97 Ca 0.15 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1aqw h GLU 97 Cb 0.06 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 1aqw h GLU 97 CO -0.02 0.85 0.24 -0.44 -1.18 0.00 0.00 179.01 178.45 1aqw h ASP 98 N 1.20 0.53 -0.16 1.04 3.32 -1.20 -0.95 116.42 120.20 1aqw h ASP 98 Ca 0.31 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 1aqw h ASP 98 Cb -0.01 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 1aqw h ASP 98 CO -0.05 0.47 -0.44 0.25 -1.72 0.00 0.00 179.24 177.74 1aqw h LEU 99 N 0.56 0.77 -0.97 1.55 5.85 -1.18 -2.79 115.31 119.10 1aqw h LEU 99 Ca 0.15 -0.37 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1aqw h LEU 99 Cb 0.05 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 1aqw h LEU 99 CO -0.02 1.10 0.63 -0.09 -0.34 0.00 0.00 178.44 179.72 1aqw h ARG 100 N 0.57 1.18 -0.78 1.25 2.43 -0.71 -0.30 114.38 118.02 1aqw h ARG 100 Ca 0.04 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1aqw h ARG 100 Cb 0.99 -0.27 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 1aqw h ARG 100 CO 0.09 0.78 0.50 0.00 -1.51 0.00 0.00 179.97 179.84 1aqw h LYS 102 N 1.06 0.61 -0.28 0.00 1.57 -1.07 -2.15 116.57 116.32 1aqw h LYS 102 Ca 0.28 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1aqw h LYS 102 Cb -0.09 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1aqw h LYS 102 CO -0.06 0.67 0.06 -0.92 -0.57 0.00 0.00 179.45 178.64 1aqw h TYR 103 N 0.45 0.11 -0.60 -1.35 3.20 -0.64 -1.57 116.97 116.57 1aqw h TYR 103 Ca 0.11 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.04 1aqw h TYR 103 Cb 0.35 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.57 1aqw h TYR 103 CO 0.02 0.04 0.34 0.82 -1.64 0.00 0.00 178.16 177.74 1aqw h ILE 104 N 0.17 1.01 -0.59 1.81 2.04 -0.74 -0.96 117.51 120.25 1aqw h ILE 104 Ca 0.13 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.76 1aqw h ILE 104 Cb 0.12 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1aqw h ILE 104 CO -0.16 0.12 0.37 0.28 0.00 0.00 0.00 178.15 178.76 1aqw h SER 105 N 0.65 0.70 0.72 1.72 0.02 -1.00 -0.18 113.55 116.18 1aqw h SER 105 Ca 0.26 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1aqw h SER 105 Cb 0.11 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1aqw h SER 105 CO -0.14 0.55 -0.50 0.25 -1.14 0.00 0.00 176.83 175.84 1aqw h LEU 106 N 0.80 -1.31 -0.55 5.07 5.85 -0.71 0.37 115.31 124.84 1aqw h LEU 106 Ca 0.21 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.11 1aqw h LEU 106 Cb -0.04 0.40 -0.08 0.00 0.37 0.00 0.00 40.66 41.31 1aqw h LEU 106 CO -0.04 -0.74 0.12 0.40 -0.34 0.00 0.00 178.44 177.84 1aqw h ILE 107 N -1.16 0.69 0.00 4.05 1.08 -1.01 -1.26 117.51 119.90 1aqw h ILE 107 Ca -0.09 -0.09 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 1aqw h ILE 107 Cb 0.95 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1aqw h ILE 107 CO 0.05 0.05 -0.96 -1.22 -0.69 0.00 0.00 178.15 175.38 1aqw n TYR 108 N -5.11 0.74 -0.00 1.37 4.01 -0.10 -4.54 117.16 113.53 1aqw n TYR 108 Ca 0.07 0.21 -0.03 0.00 -0.16 0.00 0.00 57.90 58.00 1aqw n TYR 108 Cb 0.28 -0.80 -0.01 0.00 -0.31 0.00 0.00 39.34 38.50 1aqw n TYR 108 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1aqw n THR 109 N -2.43 1.16 -2.81 -0.72 -1.04 0.13 -4.91 114.28 103.66 1aqw n THR 109 Ca 0.01 0.29 -0.24 0.00 -2.04 0.00 0.00 64.05 62.07 1aqw n THR 109 Cb 0.51 -1.78 -0.02 0.00 -1.82 0.00 0.00 70.33 67.22 1aqw n THR 109 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1aqw n ASN 110 N -3.67 3.77 0.43 8.00 5.15 -0.91 -4.92 115.26 123.10 1aqw n ASN 110 Ca -0.05 -3.51 -0.17 0.00 -0.60 0.00 0.00 54.58 50.25 1aqw n ASN 110 Cb 0.17 -0.54 -0.08 0.00 -0.53 0.00 0.00 39.78 38.80 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 2.86 -1.02 -0.18 1.20 3.20 -1.49 0.35 116.97 121.90 1aqw h TYR 111 Ca 0.16 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1aqw h TYR 111 Cb 0.76 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 1aqw h TYR 111 CO 0.75 -0.63 0.06 0.93 -1.64 0.00 0.00 178.16 177.63 1aqw h GLU 112 N -1.14 0.14 0.00 1.82 3.07 -1.91 -2.08 114.58 114.48 1aqw h GLU 112 Ca -0.11 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.74 1aqw h GLU 112 Cb 0.84 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 1aqw h GLU 112 CO 0.18 0.09 -0.43 0.00 -1.40 0.00 0.00 179.01 177.46 1aqw n ALA 113 N -2.23 3.07 0.37 3.43 0.00 -1.25 -4.27 120.51 119.63 1aqw n ALA 113 Ca -0.03 -0.26 0.04 0.00 0.00 0.00 0.00 53.44 53.19 1aqw n ALA 113 Cb 0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 1aqw n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aqw n GLY 114 N 1.44 0.03 0.25 0.00 0.00 0.11 -4.75 105.19 102.27 1aqw n GLY 114 Ca 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.48 0.52 -0.45 1.61 3.64 -1.49 -2.30 116.57 118.58 1aqw h LYS 115 Ca 0.00 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1aqw h LYS 115 Cb 0.24 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 1aqw h LYS 115 CO 0.00 0.35 0.27 -0.44 -2.27 0.00 0.00 179.45 177.36 1aqw h ASP 116 N 0.54 0.46 -0.43 4.20 3.32 -1.87 0.14 116.42 122.77 1aqw h ASP 116 Ca 0.31 -0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.24 1aqw h ASP 116 Cb 0.32 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1aqw h ASP 116 CO -0.26 0.33 -0.21 0.44 -1.72 0.00 0.00 179.24 177.82 1aqw h ASP 117 N 0.56 0.96 -0.31 6.45 3.32 -1.86 -1.27 116.42 124.27 1aqw h ASP 117 Ca 0.17 -0.36 -0.00 0.00 0.02 0.00 0.00 57.03 56.87 1aqw h ASP 117 Cb -0.01 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 1aqw h ASP 117 CO -0.07 1.13 0.18 0.22 -1.72 0.00 0.00 179.24 178.98 1aqw h TYR 118 N 0.82 0.41 -0.45 4.55 5.03 -1.00 -1.79 116.97 124.53 1aqw h TYR 118 Ca 0.11 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.34 1aqw h TYR 118 Cb 0.77 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.89 1aqw h TYR 118 CO 0.05 0.32 -0.04 0.28 -1.32 0.00 0.00 178.16 177.45 1aqw h VAL 119 N 0.39 1.25 -0.02 1.81 2.07 -0.84 -1.04 116.25 119.87 1aqw h VAL 119 Ca 0.11 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 1aqw h VAL 119 Cb 0.03 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1aqw h VAL 119 CO -0.02 0.36 -0.37 0.07 0.02 0.00 0.00 177.57 177.63 1aqw h LYS 120 N 0.71 0.04 -0.00 1.57 2.10 -0.87 -2.44 116.57 117.68 1aqw h LYS 120 Ca 0.13 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 1aqw h LYS 120 Cb 0.49 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 1aqw h LYS 120 CO 0.02 0.41 -0.33 0.00 -2.00 0.00 0.00 179.45 177.56 1aqw n ALA 121 N -2.47 3.14 -0.17 0.07 0.00 -0.71 -4.35 120.51 116.03 1aqw n ALA 121 Ca -0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 53.44 53.10 1aqw n ALA 121 Cb 0.42 -1.23 0.05 0.00 0.00 0.00 0.00 19.45 18.68 1aqw n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1aqw h LEU 122 N 0.06 0.40 -1.67 0.00 5.85 -0.69 -2.85 115.31 116.42 1aqw h LEU 122 Ca 0.00 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1aqw h LEU 122 Cb 0.49 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1aqw h LEU 122 CO 0.00 0.28 0.40 1.55 -0.34 0.00 0.00 178.44 180.32 1aqw h PRO 123 N 0.53 0.36 0.00 5.25 0.13 -1.76 0.25 132.00 136.76 1aqw h PRO 123 Ca 0.22 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.25 1aqw h PRO 123 Cb 0.11 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.15 1aqw h PRO 123 CO -0.14 0.24 -0.40 0.78 -0.23 0.00 0.00 178.00 178.24 1aqw h GLY 124 N 0.37 0.00 1.96 1.56 0.00 -1.81 -1.37 103.07 103.78 1aqw h GLY 124 Ca 0.27 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.39 1aqw h GLY 124 CO -0.07 0.00 -1.00 1.46 0.00 0.00 0.00 176.54 176.93 1aqw h GLN 125 N 0.00 0.03 0.00 4.80 1.08 -0.48 -3.32 115.11 117.23 1aqw h GLN 125 Ca -0.00 -0.05 -0.24 0.00 -1.45 0.00 0.00 58.65 56.90 1aqw h GLN 125 Cb 0.89 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.30 1aqw h GLN 125 CO 0.05 1.00 -1.27 -0.07 -0.95 0.00 0.00 178.83 177.59 1aqw h LEU 126 N 0.01 0.01 -0.91 1.46 3.38 -1.05 -3.39 115.31 114.82 1aqw h LEU 126 Ca -0.02 -0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.11 1aqw h LEU 126 Cb 1.75 -0.00 -0.17 0.00 0.09 0.00 0.00 40.66 42.32 1aqw h LEU 126 CO 0.13 1.02 -0.23 0.50 0.09 0.00 0.00 178.44 179.95 1aqw h LYS 127 N 0.00 -0.00 -0.21 1.13 1.63 -1.34 -0.58 116.57 117.20 1aqw h LYS 127 Ca -0.12 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.72 1aqw h LYS 127 Cb 1.87 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.49 1aqw h LYS 127 CO 0.11 -0.00 0.14 -1.00 -3.45 0.00 0.00 179.45 175.26 1aqw h PRO 128 N -0.00 0.14 -0.09 1.90 0.13 -1.78 -1.25 132.00 131.05 1aqw h PRO 128 Ca 0.43 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 65.37 1aqw h PRO 128 Cb 0.66 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.76 1aqw h PRO 128 CO -0.94 0.10 -0.72 0.74 -0.23 0.00 0.00 178.00 176.95 1aqw h PHE 129 N 0.15 0.60 -0.65 1.56 0.04 -1.37 -0.95 116.94 116.31 1aqw h PHE 129 Ca 0.09 -0.26 -0.03 0.00 2.80 0.00 0.00 57.97 60.57 1aqw h PHE 129 Cb 0.18 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 1aqw h PHE 129 CO -0.00 1.02 0.28 1.49 -0.60 0.00 0.00 178.31 180.50 1aqw h GLU 130 N 0.31 0.96 -0.51 1.51 4.57 -1.20 -1.81 114.58 118.42 1aqw h GLU 130 Ca -0.03 -0.16 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1aqw h GLU 130 Cb 1.29 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 1aqw h GLU 130 CO 0.13 0.79 0.26 1.15 -1.18 0.00 0.00 179.01 180.16 1aqw h THR 131 N 0.91 1.18 -0.32 0.32 2.02 -1.00 -1.81 112.91 114.22 1aqw h THR 131 Ca 0.22 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.92 1aqw h THR 131 Cb 0.17 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1aqw h THR 131 CO -0.02 0.20 0.21 -0.07 0.37 0.00 0.00 175.52 176.20 1aqw h LEU 132 N 0.67 0.35 -0.22 2.58 3.38 -0.89 -2.18 115.31 119.00 1aqw h LEU 132 Ca 0.18 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.17 1aqw h LEU 132 Cb 0.08 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1aqw h LEU 132 CO -0.03 0.26 0.03 -0.07 0.09 0.00 0.00 178.44 178.72 1aqw h LEU 133 N 0.42 -0.03 -1.85 1.67 3.38 -1.13 -1.96 115.31 115.81 1aqw h LEU 133 Ca 0.12 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.23 1aqw h LEU 133 Cb -0.04 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1aqw h LEU 133 CO -0.03 0.02 0.31 0.77 0.09 0.00 0.00 178.44 179.59 1aqw h SER 134 N 0.11 0.16 1.30 -0.43 4.64 -1.09 0.14 113.55 118.37 1aqw h SER 134 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1aqw h SER 134 Cb 0.11 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1aqw h SER 134 CO -0.15 0.10 -0.03 0.00 -0.87 0.00 0.00 176.83 175.88 1aqw n GLN 135 N -4.45 0.18 -3.57 4.77 6.02 -0.78 -3.34 117.38 116.21 1aqw n GLN 135 Ca 0.07 0.14 -0.40 0.00 -0.01 0.00 0.00 57.00 56.80 1aqw n GLN 135 Cb 0.40 -1.70 -0.07 0.00 1.02 0.00 0.00 30.24 29.88 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 -4.03 5.77 -1.44 1.08 2.47 0.25 -4.73 114.94 114.31 1aqw s ASN 136 Ca 0.12 -2.50 -0.05 0.00 0.42 0.00 0.00 52.86 50.85 1aqw s ASN 136 Cb 0.14 -1.99 0.03 0.00 -1.45 0.00 0.00 41.25 37.99 1aqw s ASN 136 CO 0.58 -0.52 0.62 0.00 -3.72 0.00 0.00 177.10 174.06 1aqw n GLN 137 N 4.07 -4.03 -1.38 0.43 6.02 -1.26 -0.85 117.38 120.38 1aqw n GLN 137 Ca 0.04 0.48 -0.13 0.00 -0.01 0.00 0.00 57.00 57.38 1aqw n GLN 137 Cb 0.41 -4.91 -0.06 0.00 1.02 0.00 0.00 30.24 26.70 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 -1.76 1.31 2.21 1.08 0.00 -1.21 -2.40 105.19 104.41 1aqw n GLY 138 Ca -0.20 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.31 0.61 0.01 -0.02 0.00 0.08 -4.72 105.19 100.83 1aqw n GLY 139 Ca -0.13 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.36 0.08 0.00 1.61 4.76 -1.01 -4.85 118.16 116.39 1aqw n LYS 140 Ca -0.09 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 1aqw n LYS 140 Cb 0.40 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 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 -1.64 0.00 -3.56 -0.18 -2.24 -1.26 -5.11 114.28 100.28 1aqw n THR 141 Ca 0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.59 1aqw n THR 141 Cb 0.36 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 3.04 1.69 0.28 4.78 0.08 -1.26 -5.01 117.98 121.58 1aqw s PHE 142 Ca 0.00 -0.76 -0.02 0.00 0.12 0.00 0.00 56.93 56.27 1aqw s PHE 142 Cb 0.00 -2.04 0.41 0.00 -0.57 0.00 0.00 43.02 40.82 1aqw s PHE 142 CO 0.00 -0.66 1.87 0.97 -0.10 0.00 0.00 175.22 177.30 1aqw h ILE 143 N 0.59 1.22 -3.46 0.64 6.09 -1.96 -3.42 117.51 117.21 1aqw h ILE 143 Ca -0.35 -0.68 -0.40 0.00 -1.37 0.00 0.00 64.86 62.06 1aqw h ILE 143 Cb 1.29 0.47 -0.34 0.00 0.47 0.00 0.00 36.82 38.71 1aqw h ILE 143 CO 0.52 0.27 -0.77 -0.69 -3.07 0.00 0.00 178.15 174.41 1aqw s VAL 144 N -5.43 0.47 0.00 2.19 1.01 -1.26 -4.71 120.40 112.66 1aqw s VAL 144 Ca -0.10 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1aqw s VAL 144 Cb 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1aqw s VAL 144 CO 0.80 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.72 1aqw n GLY 145 N 4.09 0.25 0.63 4.51 0.00 -1.26 -4.27 105.19 109.14 1aqw n GLY 145 Ca -0.25 -0.96 0.11 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.10 2.29 -4.32 1.61 8.00 -1.26 -4.03 116.55 116.74 1aqw n ASP 146 Ca 0.00 -1.65 -0.22 0.00 0.71 0.00 0.00 54.79 53.64 1aqw n ASP 146 Cb 0.00 0.32 -0.11 0.00 -0.02 0.00 0.00 41.12 41.30 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 -2.23 1.25 0.47 -1.24 1.11 -1.26 -4.90 119.66 112.86 1aqw s GLN 147 Ca 0.21 -1.39 -0.22 0.00 0.01 0.00 0.00 55.36 53.97 1aqw s GLN 147 Cb 0.18 -1.30 -0.08 0.00 -1.01 0.00 0.00 33.01 30.80 1aqw s GLN 147 CO 0.46 0.27 1.11 -1.50 0.01 0.00 0.00 175.29 175.63 1aqw s ILE 148 N -2.02 3.40 0.28 1.08 2.07 -1.26 -4.77 121.20 119.98 1aqw s ILE 148 Ca 0.15 0.98 0.02 0.00 -1.41 0.00 0.00 60.65 60.40 1aqw s ILE 148 Cb -0.06 -3.46 -0.06 0.00 0.13 0.00 0.00 42.46 39.01 1aqw s ILE 148 CO 0.06 -0.08 0.08 -0.94 -1.91 0.00 0.00 174.94 172.15 1aqw s SER 149 N -1.61 1.68 0.55 4.50 1.04 -1.26 -4.66 113.70 113.93 1aqw s SER 149 Ca 0.65 -1.37 0.22 0.00 0.48 0.00 0.00 55.95 55.93 1aqw s SER 149 Cb -0.24 0.06 1.49 0.00 0.10 0.00 0.00 66.02 67.43 1aqw s SER 149 CO 0.28 -0.67 2.17 2.19 0.98 0.00 0.00 173.24 178.20 1aqw h PHE 150 N 2.29 0.00 -0.11 5.02 -0.00 -1.63 -1.19 116.94 121.32 1aqw h PHE 150 Ca -0.39 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 57.54 1aqw h PHE 150 Cb 1.24 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 37.18 1aqw h PHE 150 CO 0.51 0.00 -0.13 0.00 -0.00 0.00 0.00 178.31 178.69 1aqw h ALA 151 N 1.97 1.58 -0.67 12.09 0.00 -1.87 -2.34 119.26 130.02 1aqw h ALA 151 Ca 0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1aqw h ALA 151 Cb 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1aqw h ALA 151 CO -0.00 0.30 0.19 -0.44 0.00 0.00 0.00 179.25 179.31 1aqw h ASP 152 N 0.16 0.99 -0.39 0.00 3.32 -1.61 0.77 116.42 119.67 1aqw h ASP 152 Ca 0.03 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.78 1aqw h ASP 152 Cb 0.33 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1aqw h ASP 152 CO 0.02 0.95 -0.10 1.88 -1.72 0.00 0.00 179.24 180.26 1aqw h TYR 153 N 0.99 0.85 -0.38 4.55 0.05 -1.50 -0.60 116.97 120.92 1aqw h TYR 153 Ca 0.21 -0.19 -0.05 0.00 0.05 0.00 0.00 58.73 58.76 1aqw h TYR 153 Cb 0.32 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.84 1aqw h TYR 153 CO 0.02 0.90 0.06 -0.97 -1.05 0.00 0.00 178.16 177.12 1aqw h ASN 154 N 0.57 0.60 -0.58 3.88 -0.00 -1.24 -1.71 115.58 117.10 1aqw h ASN 154 Ca 0.10 -0.26 -0.06 0.00 -0.00 0.00 0.00 56.30 56.07 1aqw h ASN 154 Cb 0.63 -0.16 -0.02 0.00 -0.00 0.00 0.00 38.32 38.76 1aqw h ASN 154 CO 0.04 0.71 0.11 0.25 -0.00 0.00 0.00 177.43 178.54 1aqw h LEU 155 N 0.47 0.90 -0.48 0.34 5.85 -0.82 -1.92 115.31 119.64 1aqw h LEU 155 Ca 0.11 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1aqw h LEU 155 Cb 0.37 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1aqw h LEU 155 CO 0.01 0.92 0.30 0.25 -0.34 0.00 0.00 178.44 179.58 1aqw h LEU 156 N 0.84 0.50 -0.46 2.25 5.85 -0.96 -1.10 115.31 122.24 1aqw h LEU 156 Ca 0.18 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1aqw h LEU 156 Cb 0.39 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1aqw h LEU 156 CO 0.01 0.36 0.25 -0.78 -0.34 0.00 0.00 178.44 177.93 1aqw h ASP 157 N 0.60 0.57 -0.60 1.25 3.58 -1.13 -0.70 116.42 120.00 1aqw h ASP 157 Ca 0.19 -0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.58 1aqw h ASP 157 Cb -0.02 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 40.84 1aqw h ASP 157 CO -0.07 0.50 0.36 0.25 -2.88 0.00 0.00 179.24 177.40 1aqw h LEU 158 N 0.60 0.57 -0.44 2.28 5.85 -0.92 -1.09 115.31 122.16 1aqw h LEU 158 Ca 0.16 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1aqw h LEU 158 Cb 0.06 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1aqw h LEU 158 CO -0.03 0.39 0.03 -0.07 -0.34 0.00 0.00 178.44 178.43 1aqw h LEU 159 N 0.70 0.73 -0.45 2.25 3.38 -0.99 -2.28 115.31 118.65 1aqw h LEU 159 Ca 0.25 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1aqw h LEU 159 Cb 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1aqw h LEU 159 CO -0.12 0.83 0.29 -0.07 0.09 0.00 0.00 178.44 179.47 1aqw h LEU 160 N 0.60 0.52 -1.20 1.67 3.38 -0.73 -1.72 115.31 117.82 1aqw h LEU 160 Ca 0.13 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1aqw h LEU 160 Cb 0.44 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1aqw h LEU 160 CO 0.02 0.39 -0.26 0.16 0.09 0.00 0.00 178.44 178.84 1aqw h ILE 161 N 0.61 0.69 0.00 1.22 3.07 -1.18 -2.68 117.51 119.24 1aqw h ILE 161 Ca 0.16 -1.15 -0.14 0.00 1.55 0.00 0.00 64.86 65.28 1aqw h ILE 161 Cb -0.05 1.74 -0.02 0.00 -0.27 0.00 0.00 36.82 38.22 1aqw h ILE 161 CO -0.03 0.25 -0.69 0.45 -1.05 0.00 0.00 178.15 177.08 1aqw h HIS 162 N 0.00 0.00 0.00 0.16 3.86 -0.93 -2.20 115.15 116.04 1aqw h HIS 162 Ca -0.00 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 1aqw h HIS 162 Cb 0.72 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.18 1aqw h HIS 162 CO 0.00 0.69 -0.27 0.93 0.86 0.00 0.00 177.93 180.13 1aqw h GLU 163 N 0.00 0.00 0.25 2.45 4.39 -0.99 0.11 114.58 120.79 1aqw h GLU 163 Ca -0.01 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.36 1aqw h GLU 163 Cb 1.37 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 30.05 1aqw h GLU 163 CO 0.09 0.27 -1.48 0.28 -1.16 0.00 0.00 179.01 177.01 1aqw h VAL 164 N 0.00 1.27 -0.49 3.13 2.07 -1.38 -2.59 116.25 118.27 1aqw h VAL 164 Ca -0.00 -2.68 -0.13 0.00 0.82 0.00 0.00 66.70 64.70 1aqw h VAL 164 Cb 0.87 3.04 -0.01 0.00 -1.52 0.00 0.00 31.29 33.67 1aqw h VAL 164 CO 0.04 0.81 -0.21 0.25 0.02 0.00 0.00 177.57 178.48 1aqw h LEU 165 N 0.13 1.02 -6.20 2.57 5.85 -1.18 -3.39 115.31 114.10 1aqw h LEU 165 Ca -0.26 -0.38 -0.52 0.00 0.84 0.00 0.00 57.88 57.56 1aqw h LEU 165 Cb 2.15 -0.28 -0.35 0.00 0.37 0.00 0.00 40.66 42.56 1aqw h LEU 165 CO 0.27 1.18 -0.90 0.00 -0.34 0.00 0.00 178.44 178.65 1aqw s ALA 166 N -4.68 0.83 0.18 1.25 0.00 0.36 -5.10 121.76 114.59 1aqw s ALA 166 Ca -0.11 -2.09 -0.33 0.00 0.00 0.00 0.00 51.96 49.43 1aqw s ALA 166 Cb 0.12 -1.76 -0.15 0.00 0.00 0.00 0.00 23.12 21.33 1aqw s ALA 166 CO 0.87 -2.02 1.19 -2.30 0.00 0.00 0.00 175.76 173.49 1aqw n PRO 167 N 2.99 1.24 -0.38 0.00 -0.02 -0.98 -1.86 135.00 135.99 1aqw n PRO 167 Ca 0.27 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1aqw n PRO 167 Cb 0.48 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.04 0.96 0.33 -1.23 0.00 -1.26 -4.94 105.19 101.08 1aqw n GLY 168 Ca 0.15 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.38 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 -3.25 2.34 -0.15 0.00 4.77 -1.26 -4.36 117.00 115.09 1aqw n LEU 170 Ca -0.03 -0.82 0.03 0.00 -0.03 0.00 0.00 56.01 55.15 1aqw n LEU 170 Cb 0.07 -0.03 0.32 0.00 -2.33 0.00 0.00 43.42 41.45 1aqw n LEU 170 CO 0.22 0.41 1.21 0.44 -1.33 0.00 0.00 177.39 178.34 1aqw h ASP 171 N 3.56 0.71 0.13 -1.43 3.32 -1.57 -0.50 116.42 120.64 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 40.14 1aqw h ASP 171 CO 0.00 0.50 -0.00 0.00 -1.72 0.00 0.00 179.24 178.02 1aqw n ALA 172 N -2.44 2.65 -3.82 3.45 0.00 -1.26 -4.50 120.51 114.58 1aqw n ALA 172 Ca 0.07 -0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 1aqw n ALA 172 Cb 0.08 -1.51 -0.13 0.00 0.00 0.00 0.00 19.45 17.89 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 -2.13 2.57 0.19 0.00 0.08 -0.19 -5.00 117.98 113.50 1aqw s PHE 173 Ca 0.44 -2.80 -0.13 0.00 0.12 0.00 0.00 56.93 54.55 1aqw s PHE 173 Cb 0.22 -2.31 0.20 0.00 -0.57 0.00 0.00 43.02 40.56 1aqw s PHE 173 CO 0.39 -0.75 1.68 -1.35 -0.10 0.00 0.00 175.22 175.09 1aqw h PRO 174 N 6.51 0.11 -0.27 0.24 0.11 -1.79 -1.50 132.00 135.42 1aqw h PRO 174 Ca -0.02 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.04 1aqw h PRO 174 Cb 0.90 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1aqw h PRO 174 CO 0.58 0.07 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.36 1aqw h LEU 175 N 0.11 0.48 -0.65 2.35 3.38 -1.93 -2.16 115.31 116.89 1aqw h LEU 175 Ca 0.26 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1aqw h LEU 175 Cb 0.39 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1aqw h LEU 175 CO -0.43 0.69 0.37 -0.07 0.09 0.00 0.00 178.44 179.09 1aqw h LEU 176 N 0.26 0.80 0.14 1.67 3.38 -1.85 -0.11 115.31 119.60 1aqw h LEU 176 Ca 0.07 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1aqw h LEU 176 Cb 0.45 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1aqw h LEU 176 CO 0.02 0.65 -0.23 0.28 0.09 0.00 0.00 178.44 179.25 1aqw h SER 177 N 0.88 -0.64 -0.79 -0.43 0.02 -1.22 -0.93 113.55 110.45 1aqw h SER 177 Ca 0.23 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1aqw h SER 177 Cb 0.02 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1aqw h SER 177 CO -0.04 -0.32 0.48 0.00 -1.14 0.00 0.00 176.83 175.81 1aqw h ALA 178 N 0.32 1.36 -0.09 3.77 0.00 -1.08 -2.43 119.26 121.11 1aqw h ALA 178 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1aqw h ALA 178 Cb 0.45 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1aqw h ALA 178 CO -0.11 0.56 0.05 -0.92 0.00 0.00 0.00 179.25 178.82 1aqw h TYR 179 N 1.09 0.09 -0.83 0.00 3.20 -0.62 -0.43 116.97 119.48 1aqw h TYR 179 Ca 0.29 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 1aqw h TYR 179 Cb -0.06 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.15 1aqw h TYR 179 CO 0.00 0.06 0.41 0.28 -1.64 0.00 0.00 178.16 177.27 1aqw h VAL 180 N 0.10 1.25 -0.42 1.81 2.07 -0.94 -0.75 116.25 119.37 1aqw h VAL 180 Ca 0.03 -0.70 -0.11 0.00 0.82 0.00 0.00 66.70 66.75 1aqw h VAL 180 Cb -0.00 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1aqw h VAL 180 CO -0.02 0.30 -0.18 1.23 0.02 0.00 0.00 177.57 178.93 1aqw h GLY 181 N 1.19 0.94 0.82 2.17 0.00 -1.19 -1.33 103.07 105.67 1aqw h GLY 181 Ca 0.29 -0.83 -0.00 0.00 0.00 0.00 0.00 47.33 46.79 1aqw h GLY 181 CO -0.04 0.75 0.00 -0.09 0.00 0.00 0.00 176.54 177.17 1aqw h ARG 182 N 0.69 0.01 -0.59 4.80 2.43 -0.81 -2.32 114.38 118.59 1aqw h ARG 182 Ca 0.10 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1aqw h ARG 182 Cb 0.73 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 1aqw h ARG 182 CO 0.06 0.19 0.00 -0.07 -1.51 0.00 0.00 179.97 178.64 1aqw h LEU 183 N -0.17 1.00 -2.15 3.80 4.07 -1.16 -2.73 115.31 117.97 1aqw h LEU 183 Ca 0.00 -0.27 -0.01 0.00 0.08 0.00 0.00 57.88 57.67 1aqw h LEU 183 Cb 0.18 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.66 1aqw h LEU 183 CO -0.00 1.05 -0.06 0.28 -1.08 0.00 0.00 178.44 178.63 1aqw h SER 184 N 0.94 0.00 1.39 -0.43 0.02 -1.16 -2.64 113.55 111.67 1aqw h SER 184 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1aqw h SER 184 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1aqw h SER 184 CO 0.03 0.06 -0.11 0.00 -1.14 0.00 0.00 176.83 175.66 1aqw h ALA 185 N 1.94 0.92 -2.08 3.77 0.00 -1.09 -3.32 119.26 119.41 1aqw h ALA 185 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 1aqw h ALA 185 Cb 0.25 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.09 1aqw h ALA 185 CO 0.01 0.00 0.79 0.54 0.00 0.00 0.00 179.25 180.58 1aqw n ARG 186 N -2.28 1.90 -0.17 0.00 1.74 -1.00 -4.77 116.66 112.09 1aqw n ARG 186 Ca 0.05 0.69 -0.08 0.00 -0.77 0.00 0.00 57.85 57.74 1aqw n ARG 186 Cb 0.44 -2.44 -0.02 0.00 -1.02 0.00 0.00 32.46 29.41 1aqw n ARG 186 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1aqw h PRO 187 N 6.29 -0.23 -0.51 5.56 0.11 -1.91 0.30 132.00 141.61 1aqw h PRO 187 Ca -0.46 0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 1aqw h PRO 187 Cb 1.28 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1aqw h PRO 187 CO 0.88 -0.16 -0.17 0.87 -0.21 0.00 0.00 178.00 179.21 1aqw h LYS 188 N -0.24 1.01 -0.33 1.05 1.57 -1.89 -2.13 116.57 115.61 1aqw h LYS 188 Ca 0.18 -0.41 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1aqw h LYS 188 Cb 0.56 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1aqw h LYS 188 CO -0.63 1.09 -0.18 1.25 -0.57 0.00 0.00 179.45 180.42 1aqw h LEU 189 N 0.88 0.73 -0.61 2.94 5.85 -1.80 -2.06 115.31 121.24 1aqw h LEU 189 Ca 0.12 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1aqw h LEU 189 Cb 0.75 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1aqw h LEU 189 CO 0.06 0.99 0.38 0.50 -0.34 0.00 0.00 178.44 180.03 1aqw h LYS 190 N 0.48 0.74 -0.69 1.25 3.64 -0.34 -0.30 116.57 121.36 1aqw h LYS 190 Ca 0.07 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1aqw h LYS 190 Cb 0.72 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1aqw h LYS 190 CO 0.05 0.49 0.37 0.00 -2.27 0.00 0.00 179.45 178.10 1aqw h ALA 191 N 1.26 0.89 -0.21 5.00 0.00 -1.27 -2.60 119.26 122.33 1aqw h ALA 191 Ca 0.24 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1aqw h ALA 191 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1aqw h ALA 191 CO -0.09 0.41 0.02 0.35 0.00 0.00 0.00 179.25 179.94 1aqw h PHE 192 N 0.95 0.38 0.00 0.00 3.57 -0.85 -2.73 116.94 118.27 1aqw h PHE 192 Ca 0.24 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1aqw h PHE 192 Cb 0.05 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.69 1aqw h PHE 192 CO -0.00 0.52 0.00 -0.07 -2.23 0.00 0.00 178.31 176.53 1aqw h LEU 193 N 0.14 0.00 -0.10 0.59 3.38 -0.91 -1.19 115.31 117.22 1aqw h LEU 193 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1aqw h LEU 193 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1aqw h LEU 193 CO 0.01 0.00 -0.69 0.00 0.09 0.00 0.00 178.44 177.85 1aqw n ALA 194 N -2.07 4.02 -1.72 1.53 0.00 -0.99 -4.48 120.51 116.80 1aqw n ALA 194 Ca -0.02 -0.47 -0.34 0.00 0.00 0.00 0.00 53.44 52.61 1aqw n ALA 194 Cb 0.14 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.93 5.93 0.35 0.00 1.04 -0.45 -4.83 113.70 112.80 1aqw s SER 195 Ca 0.11 1.93 0.05 0.00 0.48 0.00 0.00 55.95 58.51 1aqw s SER 195 Cb 0.17 -2.55 0.70 0.00 0.10 0.00 0.00 66.02 64.43 1aqw s SER 195 CO 0.75 -1.07 1.95 -0.65 0.98 0.00 0.00 173.24 175.20 1aqw h PRO 196 N 0.93 0.79 0.00 4.02 0.11 -1.93 0.06 132.00 135.98 1aqw h PRO 196 Ca -0.48 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1aqw h PRO 196 Cb 1.23 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1aqw h PRO 196 CO 0.58 0.52 -0.02 1.05 -0.21 0.00 0.00 178.00 179.92 1aqw h GLU 197 N 0.81 0.00 0.00 1.05 4.11 -1.92 -0.45 114.58 118.18 1aqw h GLU 197 Ca 0.33 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.44 1aqw h GLU 197 Cb 0.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 1aqw h GLU 197 CO -0.11 0.02 -2.07 0.98 0.07 0.00 0.00 179.01 177.90 1aqw n TYR 198 N -3.18 0.00 -0.28 2.06 9.36 -0.71 -4.56 117.16 119.85 1aqw n TYR 198 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1aqw n TYR 198 Cb 0.18 -0.83 0.21 0.00 -0.63 0.00 0.00 39.34 38.26 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 -0.98 1.20 -0.15 2.97 2.07 -1.00 -2.93 116.25 117.43 1aqw h VAL 199 Ca -0.49 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1aqw h VAL 199 Cb 1.42 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1aqw h VAL 199 CO -0.30 0.20 0.00 0.59 0.02 0.00 0.00 177.57 178.09 1aqw n ASN 200 N -4.42 1.00 -4.82 0.57 3.02 -0.18 -4.79 115.26 105.64 1aqw n ASN 200 Ca 0.10 -1.79 -0.36 0.00 -0.03 0.00 0.00 54.58 52.49 1aqw n ASN 200 Cb 0.05 -0.10 -0.07 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.28 4.16 0.67 3.41 1.43 -1.11 -5.07 118.68 120.89 1aqw s LEU 201 Ca 0.22 0.38 -0.13 0.00 -1.03 0.00 0.00 54.13 53.56 1aqw s LEU 201 Cb 0.11 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.33 1aqw s LEU 201 CO 0.16 0.40 1.07 -2.16 0.23 0.00 0.00 176.35 176.05 1aqw s PRO 202 N -0.98 2.98 0.06 1.29 0.04 -1.26 -4.74 135.00 132.39 1aqw s PRO 202 Ca 0.14 1.11 -0.20 0.00 0.04 0.00 0.00 61.00 62.10 1aqw s PRO 202 Cb -0.12 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.32 1aqw s PRO 202 CO 0.03 -1.08 1.43 0.82 0.04 0.00 0.00 177.00 178.25 1aqw h ILE 203 N -0.29 1.30 -2.16 0.56 2.04 -1.96 -0.32 117.51 116.68 1aqw h ILE 203 Ca -0.45 -1.09 -0.58 0.00 1.00 0.00 0.00 64.86 63.73 1aqw h ILE 203 Cb 1.22 1.62 -0.14 0.00 -0.74 0.00 0.00 36.82 38.78 1aqw h ILE 203 CO 0.56 0.33 -0.69 0.20 0.00 0.00 0.00 178.15 178.55 1aqw s ASN 204 N -6.01 3.46 0.51 1.72 -0.87 -1.26 -0.81 114.94 111.66 1aqw s ASN 204 Ca -0.14 -1.17 0.29 0.00 -1.57 0.00 0.00 52.86 50.28 1aqw s ASN 204 Cb 0.06 -0.29 1.16 0.00 -0.02 0.00 0.00 41.25 42.16 1aqw s ASN 204 CO 0.75 -0.20 1.91 1.23 -2.57 0.00 0.00 177.10 178.22 1aqw h GLY 205 N 2.13 0.00 -2.28 0.66 0.00 -1.90 -3.05 103.07 98.63 1aqw h GLY 205 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1aqw h GLY 205 CO 0.68 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.38 1aqw n ASN 206 N -3.22 3.36 0.00 0.19 6.94 -1.26 -4.93 115.26 116.34 1aqw n ASN 206 Ca 0.00 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 1aqw n ASN 206 Cb 0.36 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.40 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 1.50 0.33 3.93 4.83 0.00 -1.15 -5.00 105.19 109.63 1aqw n GLY 207 Ca 0.21 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.81 3.42 0.00 1.61 1.02 -1.26 -5.01 119.74 118.71 1aqw s LYS 208 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 55.43 1aqw s LYS 208 Cb 0.00 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.33 1aqw s LYS 208 CO 0.00 0.54 0.00 0.00 -0.92 0.00 0.00 175.35 174.97