#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aqx s TYR 3 N 0.00 2.51 0.04 0.54 2.02 -1.26 -3.15 117.35 118.06 1aqx s TYR 3 Ca 0.00 -0.27 -0.00 0.00 -0.37 0.00 0.00 57.07 56.43 1aqx s TYR 3 Cb 0.00 -1.24 -0.03 0.00 -0.40 0.00 0.00 41.96 40.29 1aqx s TYR 3 CO 0.00 0.50 -0.03 0.99 -1.57 0.00 0.00 175.55 175.44 1aqx s THR 4 N -1.67 0.20 -0.01 -0.71 2.01 -1.25 0.71 115.64 114.93 1aqx s THR 4 Ca 0.23 -1.42 -0.02 0.00 0.31 0.00 0.00 61.69 60.79 1aqx s THR 4 Cb -0.09 -0.98 -0.00 0.00 0.01 0.00 0.00 72.50 71.44 1aqx s THR 4 CO 0.13 -0.77 0.03 -0.69 -0.69 0.00 0.00 174.62 172.63 1aqx s VAL 5 N -2.82 0.03 -0.04 3.82 1.01 -0.00 -3.01 120.40 119.39 1aqx s VAL 5 Ca -0.03 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.74 1aqx s VAL 5 Cb -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 36.38 36.24 1aqx s VAL 5 CO -0.06 -0.14 -0.15 -0.69 0.00 0.00 0.00 175.10 174.06 1aqx s VAL 6 N -0.41 1.29 -0.12 2.92 1.01 -0.88 -2.00 120.40 122.21 1aqx s VAL 6 Ca -0.05 -0.63 -0.34 0.00 0.00 0.00 0.00 61.98 60.96 1aqx s VAL 6 Cb -0.03 -1.12 0.15 0.00 0.00 0.00 0.00 36.38 35.38 1aqx s VAL 6 CO -0.00 0.38 1.44 -0.47 0.00 0.00 0.00 175.10 176.45 1aqx s TYR 7 N 0.13 -0.00 1.07 5.22 5.04 -1.26 -1.90 117.35 125.65 1aqx s TYR 7 Ca -0.05 -0.00 -0.16 0.00 -2.44 0.00 0.00 57.07 54.42 1aqx s TYR 7 Cb -0.11 0.50 0.23 0.00 0.35 0.00 0.00 41.96 42.92 1aqx s TYR 7 CO 0.02 -0.00 1.16 -0.06 -1.34 0.00 0.00 175.55 175.32 1aqx s PHE 8 N -2.00 1.31 -1.52 4.97 0.08 -1.26 -0.25 117.98 119.31 1aqx s PHE 8 Ca 0.15 0.59 -0.09 0.00 0.12 0.00 0.00 56.93 57.69 1aqx s PHE 8 Cb 0.07 -3.55 -0.01 0.00 -0.57 0.00 0.00 43.02 38.95 1aqx s PHE 8 CO -0.06 -3.22 2.71 -0.35 -0.10 0.00 0.00 175.22 174.20 1aqx n PRO 9 N -4.30 3.87 -4.08 0.24 -0.04 -1.23 -4.64 135.00 124.81 1aqx n PRO 9 Ca 0.11 -2.62 -0.12 0.00 -0.04 0.00 0.00 63.50 60.83 1aqx n PRO 9 Cb 0.59 -2.80 -0.06 0.00 -0.04 0.00 0.00 33.50 31.19 1aqx n PRO 9 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1aqx s VAL 10 N 1.31 0.00 -0.03 0.52 -7.23 -1.26 -4.07 120.40 109.64 1aqx s VAL 10 Ca 0.63 -1.63 0.12 0.00 -1.81 0.00 0.00 61.98 59.29 1aqx s VAL 10 Cb 0.17 -2.42 -0.21 0.00 0.56 0.00 0.00 36.38 34.49 1aqx s VAL 10 CO -0.07 0.00 0.81 0.08 -0.31 0.00 0.00 175.10 175.61 1aqx h ARG 11 N 2.30 0.00 0.00 4.82 0.11 -1.15 -3.47 114.38 116.99 1aqx h ARG 11 Ca -0.29 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 1aqx h ARG 11 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1aqx h ARG 11 CO 0.41 0.55 0.00 0.41 0.10 0.00 0.00 179.97 181.44 1aqx n GLY 12 N 1.49 0.00 0.00 0.08 0.00 -0.89 0.11 105.19 105.98 1aqx n GLY 12 Ca -0.13 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.04 1aqx n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqx n ARG 13 N 0.00 0.75 0.00 1.61 1.74 -1.26 -2.85 116.66 116.65 1aqx n ARG 13 Ca 0.00 0.01 0.10 0.00 -0.77 0.00 0.00 57.85 57.19 1aqx n ARG 13 Cb 0.00 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 29.95 1aqx n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1aqx h ALA 15 N 3.62 1.63 0.05 0.00 0.00 0.92 -2.60 119.26 122.88 1aqx h ALA 15 Ca 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.62 1aqx h ALA 15 Cb 0.72 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1aqx h ALA 15 CO 0.00 0.34 -1.28 0.00 0.00 0.00 0.00 179.25 178.30 1aqx h ALA 16 N 1.66 0.36 0.00 0.00 0.00 -1.82 -3.19 119.26 116.27 1aqx h ALA 16 Ca 0.21 -1.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.03 1aqx h ALA 16 Cb -0.05 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1aqx h ALA 16 CO -0.05 1.24 -0.17 1.37 0.00 0.00 0.00 179.25 181.64 1aqx h LEU 17 N 0.03 0.00 -0.55 0.00 8.10 -1.80 -2.52 115.31 118.57 1aqx h LEU 17 Ca -0.13 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 57.81 1aqx h LEU 17 Cb 1.90 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.11 1aqx h LEU 17 CO 0.14 0.17 -0.25 0.03 -4.11 0.00 0.00 178.44 174.42 1aqx h ARG 18 N 0.00 0.00 0.00 0.17 -0.00 -1.55 -2.59 114.38 110.41 1aqx h ARG 18 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 1aqx h ARG 18 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.97 1aqx h ARG 18 CO 0.02 0.25 -0.04 -1.33 0.00 0.00 0.00 179.97 178.87 1aqx n MET 19 N -3.26 0.17 0.00 0.04 2.81 -0.96 -2.42 117.12 113.51 1aqx n MET 19 Ca 0.02 0.13 0.11 0.00 -1.81 0.00 0.00 57.70 56.15 1aqx n MET 19 Cb 0.54 -1.69 -0.15 0.00 -0.71 0.00 0.00 33.22 31.21 1aqx n MET 19 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 1aqx n LEU 20 N -1.99 0.10 0.03 4.03 0.00 -0.99 -3.58 117.00 114.60 1aqx n LEU 20 Ca 0.06 0.04 0.11 0.00 0.00 0.00 0.00 56.01 56.22 1aqx n LEU 20 Cb 0.40 -0.01 -0.11 0.00 0.00 0.00 0.00 43.42 43.70 1aqx n LEU 20 CO 0.30 -0.02 -0.47 0.18 0.00 0.00 0.00 177.39 177.38 1aqx n LEU 21 N -2.30 0.31 0.01 -1.96 4.77 -1.13 -2.86 117.00 113.83 1aqx n LEU 21 Ca -0.04 0.08 -0.07 0.00 -0.03 0.00 0.00 56.01 55.96 1aqx n LEU 21 Cb 0.57 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.51 1aqx n LEU 21 CO 0.45 -0.04 -0.29 0.00 -1.33 0.00 0.00 177.39 176.18 1aqx h ALA 22 N 2.06 0.65 0.00 -1.18 0.00 -1.66 0.17 119.26 119.31 1aqx h ALA 22 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1aqx h ALA 22 Cb 0.97 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1aqx h ALA 22 CO 0.00 1.38 -0.20 -3.47 0.00 0.00 0.00 179.25 176.97 1aqx n ASP 23 N -3.11 0.41 -0.63 0.00 2.03 -1.23 -3.29 116.55 110.73 1aqx n ASP 23 Ca -0.11 0.31 0.09 0.00 0.52 0.00 0.00 54.79 55.61 1aqx n ASP 23 Cb 0.99 -0.32 0.05 0.00 -0.72 0.00 0.00 41.12 41.11 1aqx n ASP 23 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1aqx n GLN 24 N -1.78 1.63 -2.11 -0.67 1.13 -1.14 -4.86 117.38 109.58 1aqx n GLN 24 Ca 0.06 -1.33 -0.05 0.00 -1.94 0.00 0.00 57.00 53.74 1aqx n GLN 24 Cb 0.38 -1.36 -0.00 0.00 0.11 0.00 0.00 30.24 29.36 1aqx n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aqx n GLY 25 N 1.17 0.17 3.94 1.08 0.00 -1.15 -5.04 105.19 105.37 1aqx n GLY 25 Ca 0.10 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1aqx n GLY 25 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aqx s GLN 26 N -4.28 3.46 0.26 1.61 -1.52 0.59 -5.04 119.66 114.73 1aqx s GLN 26 Ca 0.00 -0.53 0.09 0.00 -1.95 0.00 0.00 55.36 52.97 1aqx s GLN 26 Cb -0.00 -2.92 -0.04 0.00 -0.22 0.00 0.00 33.01 29.83 1aqx s GLN 26 CO 0.00 0.47 0.07 0.45 -0.25 0.00 0.00 175.29 176.04 1aqx s SER 27 N -3.28 4.90 0.02 5.90 0.15 -1.26 -4.54 113.70 115.59 1aqx s SER 27 Ca 0.36 -0.50 -0.28 0.00 0.70 0.00 0.00 55.95 56.23 1aqx s SER 27 Cb -0.11 -1.05 0.10 0.00 -1.71 0.00 0.00 66.02 63.25 1aqx s SER 27 CO 0.29 -0.01 0.94 -1.66 1.20 0.00 0.00 173.24 174.00 1aqx s TRP 28 N -2.24 -0.27 0.15 3.44 -2.14 -1.26 -3.91 118.94 112.71 1aqx s TRP 28 Ca 0.32 0.11 0.08 0.00 2.66 0.00 0.00 56.10 59.26 1aqx s TRP 28 Cb -0.07 0.56 -0.04 0.00 -3.10 0.00 0.00 33.47 30.82 1aqx s TRP 28 CO 0.22 -0.58 -0.09 0.21 -2.66 0.00 0.00 176.95 174.05 1aqx s LYS 29 N -3.09 2.12 0.55 3.25 2.20 0.22 -4.94 119.74 120.05 1aqx s LYS 29 Ca 0.07 -1.15 0.09 0.00 -0.36 0.00 0.00 55.97 54.62 1aqx s LYS 29 Cb -0.01 -2.24 0.07 0.00 -1.51 0.00 0.00 37.83 34.14 1aqx s LYS 29 CO -0.06 0.47 0.75 -1.21 -0.36 0.00 0.00 175.35 174.94 1aqx s GLU 30 N -2.59 2.39 0.00 4.03 0.41 -1.26 -0.82 118.70 120.86 1aqx s GLU 30 Ca 0.24 -1.56 0.00 0.00 -0.41 0.00 0.00 54.97 53.24 1aqx s GLU 30 Cb -0.10 -2.66 0.00 0.00 -1.78 0.00 0.00 34.13 29.59 1aqx s GLU 30 CO 0.15 -0.76 0.04 0.39 -0.49 0.00 0.00 175.26 174.59 1aqx n GLU 31 N -2.18 0.00 0.00 1.61 -0.58 -0.85 -4.70 120.64 113.94 1aqx n GLU 31 Ca 0.14 -0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1aqx n GLU 31 Cb 0.61 -0.08 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 1aqx n GLU 31 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1aqx n VAL 32 N 0.00 0.00 -4.33 2.62 0.31 -1.25 -4.79 118.33 110.89 1aqx n VAL 32 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1aqx n VAL 32 Cb 0.36 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.14 1aqx n VAL 32 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1aqx s VAL 33 N 0.00 0.68 0.36 2.52 1.01 0.66 -4.81 120.40 120.82 1aqx s VAL 33 Ca 0.00 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.71 1aqx s VAL 33 Cb 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 1aqx s VAL 33 CO 0.00 0.21 0.51 0.42 0.00 0.00 0.00 175.10 176.24 1aqx s THR 34 N 0.05 3.90 0.10 3.92 -4.23 -1.26 -3.55 115.64 114.58 1aqx s THR 34 Ca -0.01 -0.94 0.21 0.00 -1.18 0.00 0.00 61.69 59.77 1aqx s THR 34 Cb -0.06 -3.35 0.18 0.00 1.34 0.00 0.00 72.50 70.60 1aqx s THR 34 CO 0.00 -0.15 1.74 0.58 -0.54 0.00 0.00 174.62 176.25 1aqx h VAL 35 N 0.80 0.70 0.00 2.29 2.07 -2.01 -1.35 116.25 118.76 1aqx h VAL 35 Ca -0.45 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 65.66 1aqx h VAL 35 Cb 1.26 1.91 -0.00 0.00 -1.52 0.00 0.00 31.29 32.93 1aqx h VAL 35 CO 0.52 0.30 -0.49 1.05 0.02 0.00 0.00 177.57 178.98 1aqx h GLU 36 N 0.00 0.00 0.00 1.57 4.11 -2.00 -2.94 114.58 115.32 1aqx h GLU 36 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1aqx h GLU 36 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1aqx h GLU 36 CO 0.04 0.06 -0.62 1.15 0.07 0.00 0.00 179.01 179.71 1aqx h THR 37 N 0.00 0.00 0.00 -1.06 2.02 -1.85 -3.30 112.91 108.72 1aqx h THR 37 Ca -0.01 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.15 1aqx h THR 37 Cb 1.06 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.14 1aqx h THR 37 CO 0.01 0.00 -1.06 -0.25 0.37 0.00 0.00 175.52 174.59 1aqx h TRP 38 N 0.00 0.00 -0.00 3.16 2.91 -1.20 -3.33 115.95 117.50 1aqx h TRP 38 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1aqx h TRP 38 Cb 0.99 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.64 1aqx h TRP 38 CO 0.00 0.13 -0.03 1.04 -1.03 0.00 0.00 178.44 178.55 1aqx n GLN 39 N -2.74 0.65 0.02 2.65 6.02 -1.12 -2.23 117.38 120.64 1aqx n GLN 39 Ca -0.02 -0.08 0.13 0.00 -0.01 0.00 0.00 57.00 57.02 1aqx n GLN 39 Cb 0.61 -1.50 0.54 0.00 1.02 0.00 0.00 30.24 30.92 1aqx n GLN 39 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1aqx n GLU 40 N -1.11 0.06 -0.09 -1.09 0.00 -1.25 -4.92 120.64 112.24 1aqx n GLU 40 Ca 0.17 0.08 0.00 0.00 0.00 0.00 0.00 57.16 57.41 1aqx n GLU 40 Cb 0.22 -1.57 0.00 0.00 0.00 0.00 0.00 31.44 30.09 1aqx n GLU 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1aqx n GLY 41 N 1.27 0.39 0.22 8.31 0.00 -0.95 -4.83 105.19 109.59 1aqx n GLY 41 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 1aqx n GLY 41 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1aqx h SER 42 N 0.00 0.55 1.17 1.61 0.87 -1.89 -0.01 113.55 115.84 1aqx h SER 42 Ca 0.00 -0.26 -0.16 0.00 -1.23 0.00 0.00 61.79 60.14 1aqx h SER 42 Cb 0.00 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1aqx h SER 42 CO 0.00 0.93 -0.86 0.25 -0.53 0.00 0.00 176.83 176.62 1aqx h LEU 43 N 0.41 0.00 -0.50 2.23 5.85 -1.89 -2.87 115.31 118.55 1aqx h LEU 43 Ca 0.03 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 1aqx h LEU 43 Cb 0.97 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1aqx h LEU 43 CO 0.09 0.71 -0.51 0.50 -0.34 0.00 0.00 178.44 178.88 1aqx h LYS 44 N 0.00 0.00 0.00 1.25 3.64 -1.81 -2.17 116.57 117.48 1aqx h LYS 44 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1aqx h LYS 44 Cb 1.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.40 1aqx h LYS 44 CO 0.08 0.51 0.00 0.00 -2.27 0.00 0.00 179.45 177.78 1aqx n ALA 45 N -2.29 2.17 1.01 5.00 0.00 -0.03 -2.14 120.51 124.23 1aqx n ALA 45 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1aqx n ALA 45 Cb 0.64 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.66 1aqx n ALA 45 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1aqx n SER 46 N -2.30 0.88 -4.82 0.00 3.41 -0.87 -4.89 113.62 105.03 1aqx n SER 46 Ca 0.05 -0.77 -0.32 0.00 -0.26 0.00 0.00 58.87 57.57 1aqx n SER 46 Cb 0.40 0.70 0.01 0.00 -0.26 0.00 0.00 64.21 65.06 1aqx n SER 46 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqx h LEU 48 N 0.27 0.54 -2.43 0.00 5.85 -1.86 -3.27 115.31 114.41 1aqx h LEU 48 Ca -0.46 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 57.78 1aqx h LEU 48 Cb 1.21 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1aqx h LEU 48 CO 0.58 1.31 0.00 -1.22 -0.34 0.00 0.00 178.44 178.78 1aqx n TYR 49 N -3.68 0.33 -1.32 1.25 4.01 -1.26 -4.96 117.16 111.53 1aqx n TYR 49 Ca -0.08 -0.34 -0.04 0.00 -0.16 0.00 0.00 57.90 57.27 1aqx n TYR 49 Cb 0.91 -0.02 -0.01 0.00 -0.31 0.00 0.00 39.34 39.91 1aqx n TYR 49 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1aqx n GLY 50 N 0.59 0.60 3.66 2.72 0.00 -1.24 -5.01 105.19 106.51 1aqx n GLY 50 Ca 0.10 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 1aqx n GLY 50 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1aqx s GLN 51 N -2.74 1.82 0.35 1.61 -2.07 -1.26 -4.95 119.66 112.42 1aqx s GLN 51 Ca 0.00 -1.35 0.07 0.00 -1.82 0.00 0.00 55.36 52.26 1aqx s GLN 51 Cb 0.00 0.52 -0.02 0.00 -1.09 0.00 0.00 33.01 32.42 1aqx s GLN 51 CO 0.00 -0.79 0.32 -0.51 -1.32 0.00 0.00 175.29 172.99 1aqx s LEU 52 N -3.06 3.61 0.61 2.60 1.43 -1.26 -4.70 118.68 117.92 1aqx s LEU 52 Ca 0.21 -0.49 -0.08 0.00 -1.03 0.00 0.00 54.13 52.74 1aqx s LEU 52 Cb -0.02 -2.25 -0.00 0.00 0.03 0.00 0.00 46.19 43.94 1aqx s LEU 52 CO 0.12 -0.40 0.95 -2.16 0.23 0.00 0.00 176.35 175.09 1aqx s PRO 53 N -4.03 3.06 0.16 1.29 0.04 -1.26 -4.95 135.00 129.31 1aqx s PRO 53 Ca 0.42 0.22 0.10 0.00 0.04 0.00 0.00 61.00 61.78 1aqx s PRO 53 Cb -0.06 -2.20 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 1aqx s PRO 53 CO 0.27 -0.71 -0.16 0.21 0.04 0.00 0.00 177.00 176.65 1aqx s LYS 54 N -5.07 1.81 0.25 4.56 2.20 -0.80 -4.03 119.74 118.67 1aqx s LYS 54 Ca 0.54 -1.32 0.01 0.00 -0.36 0.00 0.00 55.97 54.85 1aqx s LYS 54 Cb -0.11 -2.05 -0.05 0.00 -1.51 0.00 0.00 37.83 34.11 1aqx s LYS 54 CO 0.48 0.44 0.10 0.12 -0.36 0.00 0.00 175.35 176.13 1aqx s PHE 55 N -1.52 1.50 0.24 4.03 5.36 -0.24 -2.07 117.98 125.28 1aqx s PHE 55 Ca 0.21 -1.22 -0.21 0.00 -0.96 0.00 0.00 56.93 54.76 1aqx s PHE 55 Cb -0.09 -0.86 0.06 0.00 -0.34 0.00 0.00 43.02 41.79 1aqx s PHE 55 CO 0.12 -0.38 0.92 -0.65 -1.46 0.00 0.00 175.22 173.77 1aqx s GLN 56 N -4.04 1.57 0.00 10.12 -0.21 -1.16 -2.04 119.66 123.90 1aqx s GLN 56 Ca 0.38 -0.96 0.00 0.00 0.02 0.00 0.00 55.36 54.80 1aqx s GLN 56 Cb 0.08 0.47 0.00 0.00 1.00 0.00 0.00 33.01 34.56 1aqx s GLN 56 CO 0.14 -0.73 0.00 -3.47 -2.12 0.00 0.00 175.29 169.11 1aqx n ASP 57 N -0.97 0.00 0.00 5.90 2.03 -0.55 -3.74 116.55 119.22 1aqx n ASP 57 Ca -0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1aqx n ASP 57 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 1aqx n ASP 57 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1aqx n GLY 58 N -0.49 0.97 0.00 0.27 0.00 -1.19 -1.28 105.19 103.48 1aqx n GLY 58 Ca 0.00 -0.60 0.16 0.00 0.00 0.00 0.00 46.02 45.58 1aqx n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aqx n ASP 59 N -3.36 0.00 -4.93 1.61 8.00 -1.26 -4.89 116.55 111.71 1aqx n ASP 59 Ca 0.00 -1.01 -0.26 0.00 0.71 0.00 0.00 54.79 54.23 1aqx n ASP 59 Cb 0.00 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1aqx n ASP 59 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1aqx s LEU 60 N -1.99 4.24 0.10 0.64 2.96 -0.40 -5.11 118.68 119.12 1aqx s LEU 60 Ca 0.48 0.34 -0.06 0.00 -0.22 0.00 0.00 54.13 54.67 1aqx s LEU 60 Cb 0.22 -3.11 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 1aqx s LEU 60 CO 0.37 -0.05 0.13 0.28 -1.32 0.00 0.00 176.35 175.77 1aqx s THR 61 N -1.89 0.14 0.04 3.68 -1.32 -1.26 -1.48 115.64 113.55 1aqx s THR 61 Ca 0.37 -1.51 -0.27 0.00 -1.21 0.00 0.00 61.69 59.07 1aqx s THR 61 Cb -0.11 -1.62 0.10 0.00 -1.51 0.00 0.00 72.50 69.36 1aqx s THR 61 CO 0.29 -0.62 1.20 -1.48 -2.21 0.00 0.00 174.62 171.80 1aqx s LEU 62 N -2.93 -0.04 0.00 9.08 0.05 -0.86 -4.96 118.68 119.02 1aqx s LEU 62 Ca 0.12 -0.30 0.03 0.00 0.05 0.00 0.00 54.13 54.02 1aqx s LEU 62 Cb 0.06 1.59 -0.01 0.00 -2.05 0.00 0.00 46.19 45.78 1aqx s LEU 62 CO -0.06 -0.51 0.09 -1.22 -0.55 0.00 0.00 176.35 174.11 1aqx n TYR 63 N -0.67 0.45 -1.49 3.48 4.02 -1.26 -1.08 117.16 120.62 1aqx n TYR 63 Ca -0.03 -2.45 -0.01 0.00 -0.01 0.00 0.00 57.90 55.40 1aqx n TYR 63 Cb 0.61 -0.11 -0.00 0.00 -0.02 0.00 0.00 39.34 39.81 1aqx n TYR 63 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1aqx n GLN 64 N -0.98 -0.76 0.07 -0.72 1.13 -1.26 -4.56 117.38 110.31 1aqx n GLN 64 Ca -0.10 0.98 0.18 0.00 -1.94 0.00 0.00 57.00 56.12 1aqx n GLN 64 Cb 0.59 -1.45 0.69 0.00 0.11 0.00 0.00 30.24 30.19 1aqx n GLN 64 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1aqx h SER 65 N 0.65 0.00 1.47 1.08 4.64 -1.90 0.47 113.55 119.96 1aqx h SER 65 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1aqx h SER 65 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1aqx h SER 65 CO 0.00 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 176.74 1aqx h ASN 66 N 0.00 0.00 0.74 4.97 -0.26 -1.92 0.30 115.58 119.41 1aqx h ASN 66 Ca 0.19 0.00 -0.25 0.00 -0.56 0.00 0.00 56.30 55.68 1aqx h ASN 66 Cb 0.78 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.03 1aqx h ASN 66 CO -0.00 0.00 -1.14 0.74 -1.06 0.00 0.00 177.43 175.96 1aqx h THR 67 N 0.00 1.57 0.00 2.81 2.02 -0.37 -2.37 112.91 116.58 1aqx h THR 67 Ca 0.00 -3.15 0.00 0.00 0.77 0.00 0.00 66.41 64.03 1aqx h THR 67 Cb 0.73 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 1aqx h THR 67 CO 0.00 0.91 0.00 0.40 0.37 0.00 0.00 175.52 177.20 1aqx h ILE 68 N 0.05 0.00 0.12 3.11 2.04 -0.08 -2.16 117.51 120.60 1aqx h ILE 68 Ca -0.09 -0.86 -0.31 0.00 1.00 0.00 0.00 64.86 64.60 1aqx h ILE 68 Cb 1.88 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.81 1aqx h ILE 68 CO 0.18 0.00 -1.56 -0.07 0.00 0.00 0.00 178.15 176.70 1aqx h LEU 69 N 0.00 0.41 0.00 1.44 3.38 -0.87 -2.54 115.31 117.12 1aqx h LEU 69 Ca 0.00 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.40 1aqx h LEU 69 Cb 0.91 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1aqx h LEU 69 CO 0.00 1.48 -0.06 0.03 0.09 0.00 0.00 178.44 179.98 1aqx h ARG 70 N 0.07 0.00 0.00 1.13 3.08 -1.44 -1.63 114.38 115.59 1aqx h ARG 70 Ca -0.25 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.58 1aqx h ARG 70 Cb 2.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 32.04 1aqx h ARG 70 CO 0.16 0.00 -1.38 1.25 -1.07 0.00 0.00 179.97 178.93 1aqx h HIS 71 N 0.00 0.00 0.00 3.04 2.76 -1.44 -1.77 115.15 117.74 1aqx h HIS 71 Ca 0.00 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 1aqx h HIS 71 Cb 0.90 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.84 1aqx h HIS 71 CO 0.00 0.79 -0.42 -0.07 -1.30 0.00 0.00 177.93 176.92 1aqx h LEU 72 N 0.00 0.00 0.01 0.26 3.38 -1.29 -2.73 115.31 114.93 1aqx h LEU 72 Ca -0.17 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.53 1aqx h LEU 72 Cb 1.75 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.46 1aqx h LEU 72 CO 0.07 0.31 -1.45 1.23 0.09 0.00 0.00 178.44 178.69 1aqx h GLY 73 N 3.70 0.02 2.00 0.83 0.00 -1.35 -2.09 103.07 106.18 1aqx h GLY 73 Ca -0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 47.33 47.16 1aqx h GLY 73 CO 0.04 0.04 -0.54 -0.09 0.00 0.00 0.00 176.54 175.99 1aqx h ARG 74 N 0.00 0.00 0.00 4.80 2.43 -1.31 0.10 114.38 120.41 1aqx h ARG 74 Ca -0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1aqx h ARG 74 Cb 1.93 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1aqx h ARG 74 CO 0.10 0.54 -1.87 0.25 -1.51 0.00 0.00 179.97 177.47 1aqx n THR 75 N -3.42 0.06 0.61 0.20 -2.24 -1.03 -4.34 114.28 104.11 1aqx n THR 75 Ca 0.01 -0.49 0.07 0.00 -2.27 0.00 0.00 64.05 61.36 1aqx n THR 75 Cb 0.66 -0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.88 1aqx n THR 75 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1aqx n LEU 76 N -2.27 1.37 -0.00 3.22 4.77 -0.78 -5.00 117.00 118.31 1aqx n LEU 76 Ca -0.03 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1aqx n LEU 76 Cb 0.56 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1aqx n LEU 76 CO 0.45 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1aqx n GLY 77 N 1.07 0.68 2.20 -0.72 0.00 -0.55 -4.96 105.19 102.91 1aqx n GLY 77 Ca 0.05 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 45.05 1aqx n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aqx n LEU 78 N -0.00 6.76 -0.03 0.99 7.99 0.25 -4.57 117.00 128.39 1aqx n LEU 78 Ca 0.00 -4.39 0.01 0.00 -0.01 0.00 0.00 56.01 51.62 1aqx n LEU 78 Cb 0.40 -0.78 0.01 0.00 -0.11 0.00 0.00 43.42 42.95 1aqx n LEU 78 CO 0.00 1.64 0.43 0.00 -1.51 0.00 0.00 177.39 177.96 1aqx n TYR 79 N -0.87 0.00 0.00 -1.77 4.19 -1.21 -0.89 117.16 116.60 1aqx n TYR 79 Ca 0.56 -0.40 0.00 0.00 3.31 0.00 0.00 57.90 61.37 1aqx n TYR 79 Cb 0.79 -0.05 0.00 0.00 0.49 0.00 0.00 39.34 40.57 1aqx n TYR 79 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1aqx n GLY 80 N -0.45 1.79 0.39 2.98 0.00 -1.26 -3.74 105.19 104.89 1aqx n GLY 80 Ca 0.02 -1.99 0.13 0.00 0.00 0.00 0.00 46.02 44.18 1aqx n GLY 80 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1aqx n LYS 81 N 1.56 1.15 -2.74 1.61 2.85 -1.26 -4.93 118.16 116.40 1aqx n LYS 81 Ca 0.00 -0.78 -0.04 0.00 -1.05 0.00 0.00 58.31 56.44 1aqx n LYS 81 Cb 0.00 -1.48 0.02 0.00 -0.65 0.00 0.00 35.03 32.91 1aqx n LYS 81 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1aqx n ASP 82 N -0.24 -1.20 0.19 -5.58 5.75 -1.26 -5.07 116.55 109.14 1aqx n ASP 82 Ca 0.13 -1.75 0.14 0.00 -0.01 0.00 0.00 54.79 53.29 1aqx n ASP 82 Cb 0.40 1.98 0.46 0.00 -1.03 0.00 0.00 41.12 42.92 1aqx n ASP 82 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1aqx h GLN 83 N 0.00 0.00 0.00 0.11 4.20 -1.93 -2.98 115.11 114.51 1aqx h GLN 83 Ca -0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.53 1aqx h GLN 83 Cb 0.72 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1aqx h GLN 83 CO 0.23 0.00 -1.30 0.00 -0.67 0.00 0.00 178.83 177.09 1aqx n GLN 84 N -2.72 0.62 0.13 1.46 -0.00 -1.26 -3.62 117.38 111.99 1aqx n GLN 84 Ca 0.03 0.03 0.04 0.00 -0.00 0.00 0.00 57.00 57.10 1aqx n GLN 84 Cb 0.37 -1.74 0.03 0.00 -0.00 0.00 0.00 30.24 28.90 1aqx n GLN 84 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1aqx h GLU 85 N 0.00 0.00 0.00 2.61 4.81 -1.89 -2.73 114.58 117.38 1aqx h GLU 85 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1aqx h GLU 85 Cb 1.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.37 1aqx h GLU 85 CO 0.00 0.35 -0.16 0.00 -0.73 0.00 0.00 179.01 178.47 1aqx h ALA 86 N 1.60 0.94 0.00 2.92 0.00 -1.60 0.42 119.26 123.54 1aqx h ALA 86 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1aqx h ALA 86 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1aqx h ALA 86 CO 0.05 0.20 -0.61 0.00 0.00 0.00 0.00 179.25 178.89 1aqx h ALA 87 N 1.84 0.64 0.00 0.00 0.00 -1.58 0.34 119.26 120.49 1aqx h ALA 87 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aqx h ALA 87 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1aqx h ALA 87 CO 0.02 0.00 -1.41 1.28 0.00 0.00 0.00 179.25 179.14 1aqx n LEU 88 N -2.41 0.49 0.07 0.00 4.77 -0.91 -2.26 117.00 116.75 1aqx n LEU 88 Ca 0.03 0.17 0.01 0.00 -0.03 0.00 0.00 56.01 56.19 1aqx n LEU 88 Cb 0.48 -0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 1aqx n LEU 88 CO 0.37 -0.10 -0.05 0.58 -1.33 0.00 0.00 177.39 176.86 1aqx h VAL 89 N 0.00 0.61 0.00 4.08 2.07 -0.90 -3.12 116.25 118.99 1aqx h VAL 89 Ca 0.00 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1aqx h VAL 89 Cb 0.98 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1aqx h VAL 89 CO 0.00 0.35 -0.14 -0.78 0.02 0.00 0.00 177.57 177.02 1aqx h ASP 90 N 0.00 0.00 0.81 0.57 1.82 -0.94 -3.04 116.42 115.64 1aqx h ASP 90 Ca -0.11 -0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 56.51 1aqx h ASP 90 Cb 1.51 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.52 1aqx h ASP 90 CO 0.05 0.00 -1.20 0.80 -1.61 0.00 0.00 179.24 177.28 1aqx n MET 91 N -2.98 0.62 0.05 0.28 1.56 -0.96 -3.29 117.12 112.40 1aqx n MET 91 Ca 0.04 0.09 0.11 0.00 -0.27 0.00 0.00 57.70 57.66 1aqx n MET 91 Cb 0.53 -1.78 -0.07 0.00 2.15 0.00 0.00 33.22 34.04 1aqx n MET 91 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1aqx n VAL 92 N -2.64 0.39 0.04 1.12 0.31 -1.18 -2.72 118.33 113.65 1aqx n VAL 92 Ca -0.02 -0.54 -0.13 0.00 -0.01 0.00 0.00 64.34 63.65 1aqx n VAL 92 Cb 0.59 -0.21 -0.14 0.00 -0.91 0.00 0.00 33.84 33.17 1aqx n VAL 92 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1aqx h ASN 93 N 0.00 0.20 0.26 4.52 -0.73 -1.68 -1.36 115.58 116.79 1aqx h ASN 93 Ca -0.01 -0.30 -0.10 0.00 1.87 0.00 0.00 56.30 57.76 1aqx h ASN 93 Cb 1.03 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.54 1aqx h ASN 93 CO 0.00 1.25 -0.40 0.44 -0.37 0.00 0.00 177.43 178.35 1aqx h ASP 94 N 0.03 0.20 0.56 1.15 5.19 -1.67 0.71 116.42 122.60 1aqx h ASP 94 Ca -0.21 -0.08 -0.27 0.00 -0.62 0.00 0.00 57.03 55.84 1aqx h ASP 94 Cb 1.96 -0.06 0.01 0.00 0.18 0.00 0.00 39.33 41.42 1aqx h ASP 94 CO 0.13 0.59 -1.22 1.23 -3.12 0.00 0.00 179.24 176.84 1aqx h GLY 95 N 1.22 0.36 1.91 2.75 0.00 -1.50 -2.68 103.07 105.12 1aqx h GLY 95 Ca 0.01 -0.87 -0.08 0.00 0.00 0.00 0.00 47.33 46.39 1aqx h GLY 95 CO 0.06 0.76 -0.35 -2.08 0.00 0.00 0.00 176.54 174.93 1aqx h VAL 96 N 0.10 1.27 0.00 4.60 2.07 -0.78 -2.83 116.25 120.68 1aqx h VAL 96 Ca -0.14 -1.28 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 1aqx h VAL 96 Cb 1.94 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.33 1aqx h VAL 96 CO 0.21 0.38 -0.39 -0.08 0.02 0.00 0.00 177.57 177.70 1aqx h GLU 97 N 0.09 0.00 0.00 1.57 4.57 -0.82 -2.92 114.58 117.07 1aqx h GLU 97 Ca 0.01 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.10 1aqx h GLU 97 Cb 0.67 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 1aqx h GLU 97 CO 0.05 0.12 -0.42 -0.44 -1.18 0.00 0.00 179.01 177.14 1aqx h ASP 98 N 0.00 0.00 0.64 1.04 3.32 -1.22 -1.81 116.42 118.39 1aqx h ASP 98 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1aqx h ASP 98 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1aqx h ASP 98 CO 0.02 0.42 -0.97 -0.11 -1.72 0.00 0.00 179.24 176.88 1aqx n LEU 99 N -3.59 0.65 0.11 1.55 7.94 -1.21 -3.51 117.00 118.95 1aqx n LEU 99 Ca -0.00 0.12 0.01 0.00 -1.11 0.00 0.00 56.01 55.02 1aqx n LEU 99 Cb 0.53 -0.11 -0.01 0.00 0.53 0.00 0.00 43.42 44.36 1aqx n LEU 99 CO 0.38 -0.03 0.31 -0.09 -1.11 0.00 0.00 177.39 176.84 1aqx h ARG 100 N 0.00 0.00 0.00 1.96 2.43 -1.25 -2.56 114.38 114.96 1aqx h ARG 100 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1aqx h ARG 100 Cb 0.81 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 1aqx h ARG 100 CO 0.00 0.54 0.00 0.00 -1.51 0.00 0.00 179.97 179.00 1aqx n LYS 102 N -2.17 0.62 0.17 0.00 2.85 -1.19 -3.93 118.16 114.51 1aqx n LYS 102 Ca 0.05 -0.16 0.12 0.00 -1.05 0.00 0.00 58.31 57.27 1aqx n LYS 102 Cb 0.40 -1.46 0.21 0.00 -0.65 0.00 0.00 35.03 33.52 1aqx n LYS 102 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 1aqx h TYR 103 N 0.00 0.00 0.00 5.58 5.03 -1.32 -3.10 116.97 123.16 1aqx h TYR 103 Ca -0.04 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1aqx h TYR 103 Cb 0.98 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.26 1aqx h TYR 103 CO 0.00 0.00 -0.91 0.82 -1.32 0.00 0.00 178.16 176.75 1aqx h ILE 104 N 0.00 0.00 0.00 1.81 2.04 -1.50 -3.16 117.51 116.70 1aqx h ILE 104 Ca 0.00 -0.90 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 1aqx h ILE 104 Cb 0.92 1.42 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1aqx h ILE 104 CO 0.00 0.00 -0.87 0.77 0.00 0.00 0.00 178.15 178.05 1aqx h SER 105 N 0.00 0.00 1.60 1.72 4.64 -1.67 -2.96 113.55 116.88 1aqx h SER 105 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1aqx h SER 105 Cb 0.95 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1aqx h SER 105 CO 0.00 0.10 -0.40 0.25 -0.87 0.00 0.00 176.83 175.91 1aqx h LEU 106 N 0.00 0.00 -0.00 5.97 5.85 -1.62 -1.57 115.31 123.94 1aqx h LEU 106 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1aqx h LEU 106 Cb 1.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1aqx h LEU 106 CO 0.01 0.06 -0.66 -0.38 -0.34 0.00 0.00 178.44 177.13 1aqx n ILE 107 N -2.97 0.00 -0.13 4.05 2.08 -1.19 0.89 119.36 122.09 1aqx n ILE 107 Ca 0.02 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.33 1aqx n ILE 107 Cb 0.56 0.49 0.00 0.00 -0.75 0.00 0.00 39.64 39.94 1aqx n ILE 107 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1aqx n TYR 108 N -1.50 0.00 -0.91 1.39 4.01 -1.12 -4.81 117.16 114.23 1aqx n TYR 108 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1aqx n TYR 108 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 1aqx n TYR 108 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1aqx n THR 109 N -0.27 0.00 -1.94 -0.72 -2.24 -0.60 -4.98 114.28 103.53 1aqx n THR 109 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1aqx n THR 109 Cb 0.03 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1aqx n THR 109 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1aqx n ASN 110 N 0.00 0.00 0.30 3.42 5.15 -1.16 -4.99 115.26 117.98 1aqx n ASN 110 Ca 0.00 -1.32 0.09 0.00 -0.60 0.00 0.00 54.58 52.75 1aqx n ASN 110 Cb 0.09 -0.06 0.44 0.00 -0.53 0.00 0.00 39.78 39.71 1aqx n ASN 110 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1aqx h TYR 111 N 0.00 0.00 0.00 1.20 3.20 0.24 -2.92 116.97 118.69 1aqx h TYR 111 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1aqx h TYR 111 Cb 1.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1aqx h TYR 111 CO -0.12 0.00 0.00 0.39 -1.64 0.00 0.00 178.16 176.79 1aqx n GLU 112 N -2.77 -0.08 0.00 1.82 4.71 -1.26 -4.03 120.64 119.03 1aqx n GLU 112 Ca 0.00 -0.47 0.09 0.00 -0.01 0.00 0.00 57.16 56.77 1aqx n GLU 112 Cb 0.71 -0.80 -0.04 0.00 -1.01 0.00 0.00 31.44 30.31 1aqx n GLU 112 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1aqx n ALA 113 N -0.06 3.69 -1.77 0.62 0.00 -1.10 -4.68 120.51 117.20 1aqx n ALA 113 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1aqx n ALA 113 Cb 0.15 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 18.94 1aqx n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aqx n GLY 114 N 1.33 0.81 0.00 0.00 0.00 -1.22 -4.91 105.19 101.19 1aqx n GLY 114 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.11 1aqx n GLY 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1aqx n LYS 115 N 0.00 0.01 0.04 1.61 4.81 -1.26 -1.27 118.16 122.10 1aqx n LYS 115 Ca 0.00 0.39 0.11 0.00 -0.87 0.00 0.00 58.31 57.95 1aqx n LYS 115 Cb 0.40 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 33.92 1aqx n LYS 115 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1aqx n ASP 116 N -1.48 0.54 0.03 3.14 8.00 -1.26 -3.66 116.55 121.87 1aqx n ASP 116 Ca 0.01 -0.03 0.11 0.00 0.71 0.00 0.00 54.79 55.60 1aqx n ASP 116 Cb 0.06 0.98 -0.07 0.00 -0.02 0.00 0.00 41.12 42.08 1aqx n ASP 116 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1aqx n ASP 117 N -2.22 0.46 0.20 -2.24 8.00 -0.40 -3.21 116.55 117.15 1aqx n ASP 117 Ca 0.00 -0.02 0.13 0.00 0.71 0.00 0.00 54.79 55.61 1aqx n ASP 117 Cb 0.50 1.17 0.28 0.00 -0.02 0.00 0.00 41.12 43.05 1aqx n ASP 117 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1aqx h TYR 118 N 0.00 0.00 0.05 1.24 5.03 -1.59 -2.65 116.97 119.05 1aqx h TYR 118 Ca 0.00 0.00 -0.33 0.00 2.58 0.00 0.00 58.73 60.98 1aqx h TYR 118 Cb 0.90 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.14 1aqx h TYR 118 CO 0.00 0.00 -1.90 0.28 -1.32 0.00 0.00 178.16 175.22 1aqx n VAL 119 N -2.93 1.66 0.26 1.81 0.31 -1.24 -2.54 118.33 115.65 1aqx n VAL 119 Ca 0.04 -0.74 0.13 0.00 -0.01 0.00 0.00 64.34 63.76 1aqx n VAL 119 Cb 0.48 -1.28 0.64 0.00 -0.91 0.00 0.00 33.84 32.77 1aqx n VAL 119 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1aqx h LYS 120 N 0.03 0.00 0.00 5.55 1.57 -1.50 0.31 116.57 122.53 1aqx h LYS 120 Ca -0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1aqx h LYS 120 Cb 2.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.34 1aqx h LYS 120 CO 0.07 0.00 -1.10 0.00 -0.57 0.00 0.00 179.45 177.86 1aqx n ALA 121 N -1.83 4.09 -0.33 3.86 0.00 -1.01 -4.56 120.51 120.72 1aqx n ALA 121 Ca -0.01 -0.52 0.06 0.00 0.00 0.00 0.00 53.44 52.98 1aqx n ALA 121 Cb 0.11 -0.68 0.22 0.00 0.00 0.00 0.00 19.45 19.10 1aqx n ALA 121 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1aqx h LEU 122 N 0.00 0.80 -0.06 0.00 5.85 -0.09 -1.16 115.31 120.64 1aqx h LEU 122 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1aqx h LEU 122 Cb 0.54 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1aqx h LEU 122 CO 0.00 0.42 0.02 -0.65 -0.34 0.00 0.00 178.44 177.89 1aqx h PRO 123 N 0.88 0.10 -0.05 5.25 0.11 -1.81 0.13 132.00 136.61 1aqx h PRO 123 Ca 0.46 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.57 1aqx h PRO 123 Cb 0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1aqx h PRO 123 CO -0.27 0.26 0.05 0.78 -0.21 0.00 0.00 178.00 178.61 1aqx h GLY 124 N -0.08 0.00 1.16 -0.55 0.00 -1.72 0.23 103.07 102.11 1aqx h GLY 124 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1aqx h GLY 124 CO -0.00 0.00 -0.80 1.46 0.00 0.00 0.00 176.54 177.19 1aqx h GLN 125 N 0.00 0.00 0.00 4.80 1.08 -0.64 -3.37 115.11 116.98 1aqx h GLN 125 Ca 0.03 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1aqx h GLN 125 Cb 0.12 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1aqx h GLN 125 CO -0.00 0.00 -1.96 1.28 -0.95 0.00 0.00 178.83 177.20 1aqx n LEU 126 N -2.65 0.00 -0.27 1.46 4.77 0.40 -4.39 117.00 116.32 1aqx n LEU 126 Ca 0.01 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.18 1aqx n LEU 126 Cb 0.53 0.04 0.49 0.00 -2.33 0.00 0.00 43.42 42.14 1aqx n LEU 126 CO 0.39 0.04 1.22 0.50 -1.33 0.00 0.00 177.39 178.20 1aqx h LYS 127 N 0.00 0.44 0.00 3.23 3.11 -0.76 -0.65 116.57 121.94 1aqx h LYS 127 Ca -0.04 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.76 1aqx h LYS 127 Cb 1.02 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 32.15 1aqx h LYS 127 CO 0.00 0.29 -0.06 -1.35 -2.81 0.00 0.00 179.45 175.52 1aqx h PRO 128 N 0.45 0.00 -0.00 1.90 0.11 -1.81 -0.75 132.00 131.90 1aqx h PRO 128 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 1aqx h PRO 128 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1aqx h PRO 128 CO -0.22 0.06 -0.45 1.19 -0.21 0.00 0.00 178.00 178.37 1aqx n PHE 129 N -3.37 0.00 -0.04 0.65 3.72 -0.25 -3.08 117.46 115.10 1aqx n PHE 129 Ca -0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.36 1aqx n PHE 129 Cb 0.21 -0.17 -0.14 0.00 -0.94 0.00 0.00 39.48 38.44 1aqx n PHE 129 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 1aqx n GLU 130 N -1.11 0.66 -0.06 -1.08 4.07 -0.92 -3.63 120.64 118.57 1aqx n GLU 130 Ca 0.08 0.03 -0.04 0.00 -0.06 0.00 0.00 57.16 57.16 1aqx n GLU 130 Cb 0.35 -1.61 0.17 0.00 -0.06 0.00 0.00 31.44 30.28 1aqx n GLU 130 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 1aqx h THR 131 N 0.00 1.25 0.03 6.31 2.02 -1.12 -2.54 112.91 118.86 1aqx h THR 131 Ca -0.30 -1.12 -0.23 0.00 0.77 0.00 0.00 66.41 65.53 1aqx h THR 131 Cb 1.77 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 1aqx h THR 131 CO 0.03 0.38 -1.07 -0.07 0.37 0.00 0.00 175.52 175.15 1aqx h LEU 132 N 0.62 0.10 -0.99 2.58 3.38 -1.69 -3.08 115.31 116.23 1aqx h LEU 132 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1aqx h LEU 132 Cb 0.56 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1aqx h LEU 132 CO 0.03 1.09 0.00 -0.07 0.09 0.00 0.00 178.44 179.58 1aqx h LEU 133 N 0.02 0.00 0.00 1.67 3.38 -1.57 -0.33 115.31 118.48 1aqx h LEU 133 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1aqx h LEU 133 Cb 1.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.57 1aqx h LEU 133 CO 0.15 0.00 -0.47 -1.54 0.09 0.00 0.00 178.44 176.66 1aqx n SER 134 N -2.65 0.49 -0.39 -0.43 3.41 -0.98 0.24 113.62 113.32 1aqx n SER 134 Ca 0.02 -0.09 0.08 0.00 -0.26 0.00 0.00 58.87 58.61 1aqx n SER 134 Cb 0.28 0.15 0.01 0.00 -0.26 0.00 0.00 64.21 64.39 1aqx n SER 134 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aqx n GLN 135 N -1.63 1.66 -5.16 4.33 6.02 -0.26 -4.45 117.38 117.89 1aqx n GLN 135 Ca 0.05 -0.88 -0.31 0.00 -0.01 0.00 0.00 57.00 55.85 1aqx n GLN 135 Cb 0.36 -1.26 -0.15 0.00 1.02 0.00 0.00 30.24 30.21 1aqx n GLN 135 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1aqx s ASN 136 N -1.75 3.23 0.00 1.08 2.47 -0.46 -4.80 114.94 114.71 1aqx s ASN 136 Ca 0.14 -0.45 0.00 0.00 0.42 0.00 0.00 52.86 52.97 1aqx s ASN 136 Cb 0.12 -0.41 0.00 0.00 -1.45 0.00 0.00 41.25 39.51 1aqx s ASN 136 CO 0.36 0.31 0.00 0.00 -3.72 0.00 0.00 177.10 174.05 1aqx n GLN 137 N 2.28 -0.19 -0.53 0.43 1.13 -1.26 -0.10 117.38 119.12 1aqx n GLN 137 Ca -0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 1aqx n GLN 137 Cb 0.51 -0.43 0.00 0.00 0.11 0.00 0.00 30.24 30.43 1aqx n GLN 137 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aqx n GLY 138 N 0.19 0.70 1.36 1.08 0.00 -1.24 -3.53 105.19 103.75 1aqx n GLY 138 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1aqx n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aqx n GLY 139 N -2.53 0.75 0.47 -0.02 0.00 0.66 -4.77 105.19 99.75 1aqx n GLY 139 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1aqx n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aqx n LYS 140 N -2.29 1.62 0.00 1.61 4.01 -1.23 -4.79 118.16 117.08 1aqx n LYS 140 Ca 0.00 -0.93 0.00 0.00 -0.51 0.00 0.00 58.31 56.87 1aqx n LYS 140 Cb 0.00 -1.37 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 1aqx n LYS 140 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1aqx n THR 141 N 0.16 0.00 -2.08 -0.18 -2.24 -1.26 -5.07 114.28 103.60 1aqx n THR 141 Ca 0.15 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.78 1aqx n THR 141 Cb 0.28 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.61 1aqx n THR 141 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1aqx n PHE 142 N 0.00 -3.49 0.31 4.78 3.01 -1.26 -4.96 117.46 115.86 1aqx n PHE 142 Ca 0.00 -0.92 0.20 0.00 1.01 0.00 0.00 57.45 57.75 1aqx n PHE 142 Cb 0.00 -0.52 1.01 0.00 -0.01 0.00 0.00 39.48 39.96 1aqx n PHE 142 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 1aqx h ILE 143 N -0.92 0.05 -2.47 4.37 6.09 -1.94 -3.43 117.51 119.25 1aqx h ILE 143 Ca -0.23 -0.21 -0.09 0.00 -1.37 0.00 0.00 64.86 62.97 1aqx h ILE 143 Cb 0.73 1.19 -0.22 0.00 0.47 0.00 0.00 36.82 38.99 1aqx h ILE 143 CO 0.20 0.01 -0.08 -0.69 -3.07 0.00 0.00 178.15 174.52 1aqx s VAL 144 N -4.00 0.01 0.00 2.19 1.01 -1.26 -4.85 120.40 113.50 1aqx s VAL 144 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1aqx s VAL 144 Cb 0.12 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.74 1aqx s VAL 144 CO 0.47 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1aqx n GLY 145 N 2.35 -0.22 0.36 4.51 0.00 -1.26 -4.19 105.19 106.74 1aqx n GLY 145 Ca -0.15 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.14 1aqx n GLY 145 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1aqx n ASP 146 N -3.16 1.65 -4.79 1.61 8.00 -1.26 -4.25 116.55 114.35 1aqx n ASP 146 Ca 0.00 -1.29 -0.22 0.00 0.71 0.00 0.00 54.79 53.99 1aqx n ASP 146 Cb 0.00 0.50 -0.05 0.00 -0.02 0.00 0.00 41.12 41.55 1aqx n ASP 146 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aqx s GLN 147 N -2.59 2.58 0.48 -1.24 -2.07 -1.26 -4.82 119.66 110.74 1aqx s GLN 147 Ca 0.17 -1.38 -0.10 0.00 -1.82 0.00 0.00 55.36 52.24 1aqx s GLN 147 Cb 0.18 -2.35 -0.05 0.00 -1.09 0.00 0.00 33.01 29.70 1aqx s GLN 147 CO 0.62 0.14 0.85 -1.50 -1.32 0.00 0.00 175.29 174.08 1aqx s ILE 148 N -2.34 4.77 0.22 3.63 2.07 -1.26 -4.73 121.20 123.55 1aqx s ILE 148 Ca 0.38 0.63 -0.00 0.00 -1.41 0.00 0.00 60.65 60.25 1aqx s ILE 148 Cb -0.05 -3.79 -0.04 0.00 0.13 0.00 0.00 42.46 38.71 1aqx s ILE 148 CO 0.24 -0.74 0.13 -0.94 -1.91 0.00 0.00 174.94 171.73 1aqx s SER 149 N -3.58 0.39 0.43 4.50 1.04 -1.26 -4.54 113.70 110.68 1aqx s SER 149 Ca 0.52 -1.41 0.29 0.00 0.48 0.00 0.00 55.95 55.83 1aqx s SER 149 Cb -0.10 0.36 1.12 0.00 0.10 0.00 0.00 66.02 67.49 1aqx s SER 149 CO 0.39 -0.83 1.86 2.19 0.98 0.00 0.00 173.24 177.82 1aqx h PHE 150 N 2.56 0.00 0.00 5.02 -5.15 -1.34 -0.44 116.94 117.59 1aqx h PHE 150 Ca -0.36 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.41 1aqx h PHE 150 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 1aqx h PHE 150 CO 0.43 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.74 1aqx h ALA 151 N 2.11 1.00 0.00 12.09 0.00 -1.85 -2.87 119.26 129.74 1aqx h ALA 151 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1aqx h ALA 151 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1aqx h ALA 151 CO 0.00 0.00 -0.16 -0.44 0.00 0.00 0.00 179.25 178.65 1aqx h ASP 152 N 0.00 0.00 0.31 0.00 3.32 -1.46 -2.83 116.42 115.76 1aqx h ASP 152 Ca 0.00 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1aqx h ASP 152 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1aqx h ASP 152 CO 0.00 0.01 -1.45 -1.22 -1.72 0.00 0.00 179.24 174.86 1aqx n TYR 153 N -2.65 0.26 0.06 4.55 4.01 -1.09 -3.09 117.16 119.21 1aqx n TYR 153 Ca 0.04 0.08 0.01 0.00 -0.16 0.00 0.00 57.90 57.86 1aqx n TYR 153 Cb 0.49 -0.52 -0.06 0.00 -0.31 0.00 0.00 39.34 38.94 1aqx n TYR 153 CO 0.00 0.00 0.00 -0.97 -0.46 0.00 0.00 176.86 175.43 1aqx h ASN 154 N 0.00 0.00 0.22 7.72 -0.00 -1.54 -3.12 115.58 118.86 1aqx h ASN 154 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 56.30 55.95 1aqx h ASN 154 Cb 0.88 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.18 1aqx h ASN 154 CO 0.00 0.56 -1.88 0.25 -0.00 0.00 0.00 177.43 176.36 1aqx h LEU 155 N 0.00 0.37 -1.49 0.34 5.85 -1.65 -3.01 115.31 115.72 1aqx h LEU 155 Ca -0.12 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 57.84 1aqx h LEU 155 Cb 1.53 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1aqx h LEU 155 CO 0.05 1.68 0.00 0.25 -0.34 0.00 0.00 178.44 180.08 1aqx h LEU 156 N 0.06 0.00 0.15 2.25 5.85 -1.69 0.62 115.31 122.56 1aqx h LEU 156 Ca -0.38 0.00 -0.33 0.00 0.84 0.00 0.00 57.88 58.02 1aqx h LEU 156 Cb 2.04 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.07 1aqx h LEU 156 CO 0.10 0.00 -1.68 -0.78 -0.34 0.00 0.00 178.44 175.75 1aqx h ASP 157 N 0.00 0.50 0.76 1.25 1.82 -1.61 -2.73 116.42 116.41 1aqx h ASP 157 Ca 0.00 -0.91 0.00 0.00 -0.39 0.00 0.00 57.03 55.73 1aqx h ASP 157 Cb 0.32 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1aqx h ASP 157 CO 0.00 1.74 0.00 -0.11 -1.61 0.00 0.00 179.24 179.26 1aqx n LEU 158 N -3.70 0.22 0.05 2.28 7.94 -0.87 -0.83 117.00 122.09 1aqx n LEU 158 Ca -0.26 0.54 0.12 0.00 -1.11 0.00 0.00 56.01 55.30 1aqx n LEU 158 Cb 1.01 -0.50 0.10 0.00 0.53 0.00 0.00 43.42 44.56 1aqx n LEU 158 CO 0.46 -0.25 0.19 0.18 -1.11 0.00 0.00 177.39 176.86 1aqx n LEU 159 N -1.73 0.68 -0.04 -1.96 4.77 0.16 -3.30 117.00 115.58 1aqx n LEU 159 Ca 0.04 0.16 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 1aqx n LEU 159 Cb 0.25 -0.14 -0.14 0.00 -2.33 0.00 0.00 43.42 41.06 1aqx n LEU 159 CO 0.20 -0.04 -0.67 0.18 -1.33 0.00 0.00 177.39 175.73 1aqx n LEU 160 N -2.13 0.66 -0.12 2.23 4.77 -0.01 -3.92 117.00 118.47 1aqx n LEU 160 Ca 0.02 0.32 0.13 0.00 -0.03 0.00 0.00 56.01 56.45 1aqx n LEU 160 Cb 0.45 0.24 0.42 0.00 -2.33 0.00 0.00 43.42 42.21 1aqx n LEU 160 CO 0.38 0.40 0.68 2.30 -1.33 0.00 0.00 177.39 179.82 1aqx n ILE 161 N -2.97 0.00 1.11 -0.08 -5.35 -0.95 -3.06 119.36 108.07 1aqx n ILE 161 Ca -0.20 -0.06 0.13 0.00 -0.27 0.00 0.00 62.75 62.34 1aqx n ILE 161 Cb 1.07 0.16 0.25 0.00 -1.74 0.00 0.00 39.64 39.38 1aqx n ILE 161 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1aqx n HIS 162 N -1.03 0.05 0.43 4.28 8.25 -1.21 -3.57 115.22 122.41 1aqx n HIS 162 Ca 0.10 -0.02 0.04 0.00 -0.26 0.00 0.00 57.72 57.59 1aqx n HIS 162 Cb 0.33 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 1aqx n HIS 162 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1aqx n GLU 163 N 0.95 3.26 0.07 -0.41 -0.58 -1.17 -3.45 120.64 119.31 1aqx n GLU 163 Ca 0.16 -0.23 0.12 0.00 -0.42 0.00 0.00 57.16 56.79 1aqx n GLU 163 Cb 0.51 -0.98 0.05 0.00 -0.57 0.00 0.00 31.44 30.45 1aqx n GLU 163 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1aqx n VAL 164 N -0.84 0.45 0.18 2.62 0.31 -1.21 -2.43 118.33 117.41 1aqx n VAL 164 Ca 0.03 -0.41 0.02 0.00 -0.01 0.00 0.00 64.34 63.97 1aqx n VAL 164 Cb 0.17 -0.17 -0.03 0.00 -0.91 0.00 0.00 33.84 32.89 1aqx n VAL 164 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1aqx n LEU 165 N -2.37 0.18 -3.01 7.52 0.00 -1.22 -4.69 117.00 113.41 1aqx n LEU 165 Ca 0.01 -0.39 -0.14 0.00 0.00 0.00 0.00 56.01 55.49 1aqx n LEU 165 Cb 0.50 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.93 1aqx n LEU 165 CO 0.39 0.05 -0.05 0.00 0.00 0.00 0.00 177.39 177.78 1aqx n ALA 166 N -1.24 1.42 -1.51 1.96 0.00 -1.22 -5.11 120.51 114.81 1aqx n ALA 166 Ca 0.01 -2.81 -0.51 0.00 0.00 0.00 0.00 53.44 50.12 1aqx n ALA 166 Cb 0.09 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 1aqx n ALA 166 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1aqx n PRO 167 N 0.23 0.53 -1.00 0.00 -0.02 -1.02 -1.80 135.00 131.92 1aqx n PRO 167 Ca 0.18 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1aqx n PRO 167 Cb 0.69 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 1aqx n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aqx n GLY 168 N 1.83 0.55 0.27 -1.23 0.00 -1.26 -4.91 105.19 100.44 1aqx n GLY 168 Ca 0.17 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.34 1aqx n GLY 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aqx n LEU 170 N -3.16 1.15 0.01 0.00 4.77 -1.26 -3.75 117.00 114.76 1aqx n LEU 170 Ca 0.01 -0.44 0.07 0.00 -0.03 0.00 0.00 56.01 55.61 1aqx n LEU 170 Cb 0.34 -0.04 0.31 0.00 -2.33 0.00 0.00 43.42 41.69 1aqx n LEU 170 CO 0.29 0.22 0.73 0.47 -1.33 0.00 0.00 177.39 177.76 1aqx n ASP 171 N -0.06 0.06 -0.00 -1.43 8.00 -0.77 -2.23 116.55 120.12 1aqx n ASP 171 Ca 0.18 0.52 0.09 0.00 0.71 0.00 0.00 54.79 56.28 1aqx n ASP 171 Cb 0.27 -0.53 -0.12 0.00 -0.02 0.00 0.00 41.12 40.72 1aqx n ASP 171 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aqx n ALA 172 N -1.53 3.97 -3.95 2.24 0.00 -1.25 -4.76 120.51 115.24 1aqx n ALA 172 Ca 0.03 -0.51 -0.32 0.00 0.00 0.00 0.00 53.44 52.64 1aqx n ALA 172 Cb 0.16 -0.68 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 1aqx n ALA 172 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1aqx s PHE 173 N -2.93 3.56 0.17 0.00 0.40 -0.95 -4.98 117.98 113.25 1aqx s PHE 173 Ca 0.03 -2.97 -0.14 0.00 -0.60 0.00 0.00 56.93 53.26 1aqx s PHE 173 Cb 0.14 -2.95 0.07 0.00 0.51 0.00 0.00 43.02 40.78 1aqx s PHE 173 CO 0.78 -0.89 1.80 -1.35 0.70 0.00 0.00 175.22 176.26 1aqx h PRO 174 N 7.31 0.75 0.00 0.24 0.11 -1.86 -2.37 132.00 136.18 1aqx h PRO 174 Ca -0.06 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1aqx h PRO 174 Cb 0.98 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1aqx h PRO 174 CO 0.60 0.55 0.00 1.28 -0.21 0.00 0.00 178.00 180.22 1aqx n LEU 175 N -4.65 0.23 0.03 2.35 4.77 -1.26 -2.00 117.00 116.47 1aqx n LEU 175 Ca 0.03 0.58 0.10 0.00 -0.03 0.00 0.00 56.01 56.69 1aqx n LEU 175 Cb 0.06 -0.57 -0.11 0.00 -2.33 0.00 0.00 43.42 40.47 1aqx n LEU 175 CO 0.36 -0.49 -0.51 0.18 -1.33 0.00 0.00 177.39 175.61 1aqx n LEU 176 N -1.78 0.29 0.08 2.23 4.77 -0.91 -2.99 117.00 118.70 1aqx n LEU 176 Ca 0.02 0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 55.91 1aqx n LEU 176 Cb 0.12 -0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 1aqx n LEU 176 CO 0.11 -0.04 -0.39 0.28 -1.33 0.00 0.00 177.39 176.02 1aqx h SER 177 N 0.00 0.55 0.76 -1.43 0.02 -1.26 -2.19 113.55 109.99 1aqx h SER 177 Ca -0.02 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 1aqx h SER 177 Cb 1.05 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1aqx h SER 177 CO 0.00 1.61 -0.14 0.00 -1.14 0.00 0.00 176.83 177.16 1aqx n ALA 178 N -2.74 2.71 -0.05 3.77 0.00 -1.08 -0.44 120.51 122.68 1aqx n ALA 178 Ca -0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.01 1aqx n ALA 178 Cb 1.07 -1.36 -0.14 0.00 0.00 0.00 0.00 19.45 19.01 1aqx n ALA 178 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1aqx n TYR 179 N -1.41 0.39 0.60 0.00 4.19 -1.16 -3.08 117.16 116.68 1aqx n TYR 179 Ca 0.08 0.13 0.12 0.00 3.31 0.00 0.00 57.90 61.55 1aqx n TYR 179 Cb 0.32 -0.98 0.20 0.00 0.49 0.00 0.00 39.34 39.37 1aqx n TYR 179 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1aqx n VAL 180 N -2.77 0.36 0.03 2.97 0.31 -0.83 -3.18 118.33 115.22 1aqx n VAL 180 Ca -0.21 -0.26 -0.22 0.00 -0.01 0.00 0.00 64.34 63.64 1aqx n VAL 180 Cb 0.99 -0.15 -0.14 0.00 -0.91 0.00 0.00 33.84 33.63 1aqx n VAL 180 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1aqx h GLY 181 N 4.54 0.36 1.31 2.92 0.00 -0.86 -3.26 103.07 108.07 1aqx h GLY 181 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.42 1aqx h GLY 181 CO 0.00 0.80 -0.08 -0.96 0.00 0.00 0.00 176.54 176.30 1aqx n ARG 182 N -3.58 0.45 0.01 4.80 1.85 -1.18 -2.45 116.66 116.56 1aqx n ARG 182 Ca -0.29 -0.10 0.05 0.00 -1.00 0.00 0.00 57.85 56.51 1aqx n ARG 182 Cb 1.04 -1.50 -0.11 0.00 -1.05 0.00 0.00 32.46 30.84 1aqx n ARG 182 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1aqx n LEU 183 N -1.19 0.40 0.00 2.89 4.32 -1.19 -3.78 117.00 118.45 1aqx n LEU 183 Ca 0.13 0.17 0.12 0.00 -0.02 0.00 0.00 56.01 56.40 1aqx n LEU 183 Cb 0.28 0.09 0.16 0.00 -1.62 0.00 0.00 43.42 42.33 1aqx n LEU 183 CO 0.25 0.08 0.32 -1.20 -1.22 0.00 0.00 177.39 175.62 1aqx n SER 184 N -2.59 0.61 -0.11 -1.43 7.64 -1.21 -3.23 113.62 113.30 1aqx n SER 184 Ca -0.09 -0.37 0.14 0.00 1.01 0.00 0.00 58.87 59.55 1aqx n SER 184 Cb 0.73 0.43 0.56 0.00 -1.01 0.00 0.00 64.21 64.91 1aqx n SER 184 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1aqx n ALA 185 N -1.54 2.82 -2.04 -0.43 0.00 -1.03 -3.88 120.51 114.42 1aqx n ALA 185 Ca 0.05 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1aqx n ALA 185 Cb 0.35 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1aqx n ALA 185 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1aqx s ARG 186 N -2.57 4.10 0.38 0.00 0.52 -1.20 -4.82 118.95 115.35 1aqx s ARG 186 Ca 0.25 2.07 0.05 0.00 -0.52 0.00 0.00 55.73 57.59 1aqx s ARG 186 Cb 0.20 -3.99 0.76 0.00 0.52 0.00 0.00 34.95 32.44 1aqx s ARG 186 CO 0.51 -0.94 2.02 -1.35 0.02 0.00 0.00 175.30 175.55 1aqx h PRO 187 N 9.77 0.68 0.00 3.54 0.11 -1.92 3.14 132.00 147.33 1aqx h PRO 187 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1aqx h PRO 187 Cb 1.17 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1aqx h PRO 187 CO 0.96 0.45 0.00 0.87 -0.21 0.00 0.00 178.00 180.07 1aqx h LYS 188 N 0.70 0.00 0.00 1.05 6.56 -1.89 -2.08 116.57 120.91 1aqx h LYS 188 Ca 0.22 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.81 1aqx h LYS 188 Cb 0.03 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1aqx h LYS 188 CO -0.06 0.00 -1.22 -0.11 -2.06 0.00 0.00 179.45 176.00 1aqx n LEU 189 N -2.54 0.00 0.20 2.94 7.94 -0.70 -3.81 117.00 121.02 1aqx n LEU 189 Ca 0.03 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 55.05 1aqx n LEU 189 Cb 0.33 0.01 0.23 0.00 0.53 0.00 0.00 43.42 44.51 1aqx n LEU 189 CO 0.26 0.01 0.83 0.50 -1.11 0.00 0.00 177.39 177.87 1aqx h LYS 190 N 0.00 0.00 0.02 1.96 3.64 0.58 -0.88 116.57 121.88 1aqx h LYS 190 Ca -0.01 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.04 1aqx h LYS 190 Cb 0.28 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.05 1aqx h LYS 190 CO 0.00 0.00 -2.01 0.00 -2.27 0.00 0.00 179.45 175.17 1aqx n ALA 191 N -2.03 1.41 0.23 5.00 0.00 -0.79 -3.16 120.51 121.17 1aqx n ALA 191 Ca 0.04 -0.94 0.11 0.00 0.00 0.00 0.00 53.44 52.66 1aqx n ALA 191 Cb 0.50 -0.58 0.45 0.00 0.00 0.00 0.00 19.45 19.83 1aqx n ALA 191 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1aqx h PHE 192 N 0.01 0.00 0.00 0.00 3.57 -1.70 -0.23 116.94 118.60 1aqx h PHE 192 Ca -0.40 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.01 1aqx h PHE 192 Cb 2.08 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.80 1aqx h PHE 192 CO 0.01 0.16 -0.58 -0.07 -2.23 0.00 0.00 178.31 175.61 1aqx h LEU 193 N 0.00 0.00 -0.35 0.59 4.07 -1.26 -3.18 115.31 115.18 1aqx h LEU 193 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1aqx h LEU 193 Cb 0.77 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.51 1aqx h LEU 193 CO 0.02 0.37 -0.66 0.00 -1.08 0.00 0.00 178.44 177.10 1aqx n ALA 194 N -2.22 3.97 -1.57 1.53 0.00 -0.85 -4.56 120.51 116.81 1aqx n ALA 194 Ca 0.01 -0.54 -0.32 0.00 0.00 0.00 0.00 53.44 52.59 1aqx n ALA 194 Cb 0.70 -0.89 0.04 0.00 0.00 0.00 0.00 19.45 19.29 1aqx n ALA 194 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1aqx s SER 195 N -2.78 5.43 0.36 0.00 1.04 -0.15 -4.87 113.70 112.73 1aqx s SER 195 Ca 0.14 1.74 0.18 0.00 0.48 0.00 0.00 55.95 58.48 1aqx s SER 195 Cb 0.17 -2.52 0.61 0.00 0.10 0.00 0.00 66.02 64.39 1aqx s SER 195 CO 0.71 -1.41 1.70 -0.65 0.98 0.00 0.00 173.24 174.57 1aqx h PRO 196 N -0.26 0.00 0.00 4.02 0.11 -1.90 -0.14 132.00 133.82 1aqx h PRO 196 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1aqx h PRO 196 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1aqx h PRO 196 CO 0.56 0.41 0.00 -0.85 -0.21 0.00 0.00 178.00 177.91 1aqx n GLU 197 N -3.54 0.04 -0.05 1.05 0.28 -1.26 -0.90 120.64 116.25 1aqx n GLU 197 Ca -0.00 0.19 -0.10 0.00 -0.16 0.00 0.00 57.16 57.09 1aqx n GLU 197 Cb 0.53 -1.56 -0.04 0.00 1.43 0.00 0.00 31.44 31.81 1aqx n GLU 197 CO 0.00 0.00 0.00 0.98 -0.16 0.00 0.00 177.13 177.95 1aqx n TYR 198 N -1.62 0.00 0.51 -1.84 9.36 -1.14 -4.52 117.16 117.91 1aqx n TYR 198 Ca 0.05 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.39 1aqx n TYR 198 Cb 0.24 -0.39 0.46 0.00 -0.63 0.00 0.00 39.34 39.01 1aqx n TYR 198 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1aqx n VAL 199 N -3.21 0.72 0.48 2.97 0.31 -0.08 -2.71 118.33 116.81 1aqx n VAL 199 Ca -0.20 0.03 0.09 0.00 -0.01 0.00 0.00 64.34 64.25 1aqx n VAL 199 Cb 0.67 -0.92 0.12 0.00 -0.91 0.00 0.00 33.84 32.81 1aqx n VAL 199 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1aqx n ASN 200 N -2.18 2.80 -4.88 4.52 3.02 -0.08 -4.91 115.26 113.55 1aqx n ASN 200 Ca 0.04 -1.83 -0.34 0.00 -0.03 0.00 0.00 54.58 52.41 1aqx n ASN 200 Cb 0.30 -0.10 -0.05 0.00 -0.61 0.00 0.00 39.78 39.32 1aqx n ASN 200 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1aqx s LEU 201 N -1.39 4.36 0.45 3.41 1.43 -1.10 -5.04 118.68 120.80 1aqx s LEU 201 Ca 0.26 0.62 -0.22 0.00 -1.03 0.00 0.00 54.13 53.76 1aqx s LEU 201 Cb 0.17 -2.83 -0.08 0.00 0.03 0.00 0.00 46.19 43.48 1aqx s LEU 201 CO 0.24 0.21 1.08 -2.84 0.23 0.00 0.00 176.35 175.27 1aqx s PRO 202 N -1.90 3.88 0.11 1.29 0.02 -1.26 -4.75 135.00 132.39 1aqx s PRO 202 Ca 0.30 1.54 -0.15 0.00 0.02 0.00 0.00 61.00 62.71 1aqx s PRO 202 Cb -0.13 -2.32 -0.05 0.00 0.02 0.00 0.00 34.50 32.01 1aqx s PRO 202 CO 0.18 -0.40 1.50 0.82 -0.33 0.00 0.00 177.00 178.78 1aqx h ILE 203 N 1.83 1.28 -4.48 2.83 2.04 -1.94 -0.23 117.51 118.84 1aqx h ILE 203 Ca -0.49 -1.16 -0.27 0.00 1.00 0.00 0.00 64.86 63.94 1aqx h ILE 203 Cb 1.23 1.33 -0.05 0.00 -0.74 0.00 0.00 36.82 38.60 1aqx h ILE 203 CO 0.60 0.38 -0.19 0.59 0.00 0.00 0.00 178.15 179.54 1aqx n ASN 204 N -4.41 2.47 -0.36 1.72 4.13 -1.26 -2.11 115.26 115.44 1aqx n ASN 204 Ca -0.02 -1.90 0.10 0.00 1.68 0.00 0.00 54.58 54.44 1aqx n ASN 204 Cb 0.35 0.12 -0.03 0.00 -1.54 0.00 0.00 39.78 38.68 1aqx n ASN 204 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1aqx n GLY 205 N 2.48 -0.17 0.66 7.41 0.00 -1.26 -4.29 105.19 110.02 1aqx n GLY 205 Ca -0.08 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.43 1aqx n GLY 205 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1aqx n ASN 206 N -0.35 2.53 0.00 1.61 0.23 -1.26 -4.96 115.26 113.05 1aqx n ASN 206 Ca 0.07 -1.73 0.00 0.00 -0.53 0.00 0.00 54.58 52.39 1aqx n ASN 206 Cb 0.41 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 1aqx n ASN 206 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1aqx n GLY 207 N 0.80 1.13 3.93 4.83 0.00 -1.26 -5.00 105.19 109.62 1aqx n GLY 207 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 1aqx n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aqx s LYS 208 N -0.14 2.96 0.00 1.61 1.02 -1.26 -4.99 119.74 118.94 1aqx s LYS 208 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.86 1aqx s LYS 208 Cb 0.00 -2.34 0.00 0.00 -0.52 0.00 0.00 37.83 34.97 1aqx s LYS 208 CO 0.00 -0.59 0.00 0.00 -0.92 0.00 0.00 175.35 173.84