#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq6 s ILE 2 N 0.00 3.97 -0.08 2.02 -1.09 -1.26 -4.28 121.20 120.48 1aq6 s ILE 2 Ca 0.00 1.17 0.03 0.00 -2.23 0.00 0.00 60.65 59.62 1aq6 s ILE 2 Cb 0.00 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 37.07 1aq6 s ILE 2 CO 0.00 -0.11 0.11 0.29 -1.23 0.00 0.00 174.94 174.00 1aq6 n LYS 3 N 6.87 2.94 -3.80 2.79 5.02 0.92 -5.01 118.16 127.89 1aq6 n LYS 3 Ca 0.15 -0.02 -0.13 0.00 -2.02 0.00 0.00 58.31 56.30 1aq6 n LYS 3 Cb 0.44 -0.88 -0.11 0.00 -0.02 0.00 0.00 35.03 34.46 1aq6 n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aq6 s ALA 4 N -1.79 -0.58 -0.26 7.82 0.00 -1.03 -1.49 121.76 124.43 1aq6 s ALA 4 Ca -0.00 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.46 1aq6 s ALA 4 Cb 0.02 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.90 1aq6 s ALA 4 CO 0.14 -0.14 -0.03 0.08 0.00 0.00 0.00 175.76 175.81 1aq6 s VAL 5 N -0.24 3.07 -0.20 0.00 1.01 0.20 -1.07 120.40 123.17 1aq6 s VAL 5 Ca -0.04 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 1aq6 s VAL 5 Cb -0.03 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1aq6 s VAL 5 CO 0.01 0.13 -0.07 -0.69 0.00 0.00 0.00 175.10 174.48 1aq6 s VAL 6 N 1.34 3.28 -0.07 2.92 1.01 -0.39 -0.65 120.40 127.84 1aq6 s VAL 6 Ca -0.00 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1aq6 s VAL 6 Cb -0.17 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1aq6 s VAL 6 CO -0.03 0.45 -0.08 -0.36 0.00 0.00 0.00 175.10 175.09 1aq6 s PHE 7 N 1.19 2.91 0.66 5.22 0.40 0.57 0.14 117.98 129.07 1aq6 s PHE 7 Ca 0.02 -0.03 -0.17 0.00 -0.60 0.00 0.00 56.93 56.15 1aq6 s PHE 7 Cb -0.14 -1.72 0.00 0.00 0.51 0.00 0.00 43.02 41.67 1aq6 s PHE 7 CO -0.02 0.28 1.20 0.34 0.70 0.00 0.00 175.22 177.73 1aq6 s ASP 8 N -0.71 4.73 -0.02 1.36 2.15 -0.06 -1.34 116.67 122.78 1aq6 s ASP 8 Ca 0.11 2.35 -0.02 0.00 0.43 0.00 0.00 52.55 55.42 1aq6 s ASP 8 Cb -0.11 -2.59 -0.01 0.00 -0.30 0.00 0.00 42.92 39.91 1aq6 s ASP 8 CO 0.01 -1.90 -0.04 0.00 -0.17 0.00 0.00 175.17 173.07 1aq6 n ALA 9 N -2.16 0.10 -2.08 3.66 0.00 -1.26 -3.75 120.51 115.02 1aq6 n ALA 9 Ca 0.13 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 1aq6 n ALA 9 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.93 1aq6 n ALA 9 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1aq6 s TYR 10 N -1.21 2.10 0.00 0.00 2.02 -1.26 -1.56 117.35 117.43 1aq6 s TYR 10 Ca -0.03 0.39 0.00 0.00 -0.37 0.00 0.00 57.07 57.06 1aq6 s TYR 10 Cb 0.00 -3.89 0.00 0.00 -0.40 0.00 0.00 41.96 37.68 1aq6 s TYR 10 CO 0.05 -3.36 0.00 0.41 -1.57 0.00 0.00 175.55 171.08 1aq6 n GLY 11 N 4.25 2.31 0.55 0.71 0.00 0.15 -4.87 105.19 108.28 1aq6 n GLY 11 Ca 0.18 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.17 1aq6 n GLY 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aq6 n THR 12 N -2.00 0.81 0.01 2.61 -1.04 -0.76 -4.65 114.28 109.25 1aq6 n THR 12 Ca 0.00 0.26 -0.09 0.00 -2.04 0.00 0.00 64.05 62.18 1aq6 n THR 12 Cb 0.00 -1.67 -0.14 0.00 -1.82 0.00 0.00 70.33 66.70 1aq6 n THR 12 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1aq6 h LEU 13 N -0.29 0.05 -8.71 -4.42 3.38 -1.37 -3.45 115.31 100.49 1aq6 h LEU 13 Ca 0.00 -0.09 -0.70 0.00 0.09 0.00 0.00 57.88 57.18 1aq6 h LEU 13 Cb 0.29 -0.02 -0.28 0.00 0.09 0.00 0.00 40.66 40.75 1aq6 h LEU 13 CO 0.00 1.08 -0.85 -0.36 0.09 0.00 0.00 178.44 178.40 1aq6 s PHE 14 N -2.63 2.45 -0.45 1.13 0.40 -0.84 -1.07 117.98 116.98 1aq6 s PHE 14 Ca -0.04 -0.35 -0.27 0.00 -0.60 0.00 0.00 56.93 55.67 1aq6 s PHE 14 Cb 0.08 -1.54 0.03 0.00 0.51 0.00 0.00 43.02 42.10 1aq6 s PHE 14 CO 0.82 0.04 0.99 0.34 0.70 0.00 0.00 175.22 178.12 1aq6 s ASP 15 N -0.69 6.58 0.18 1.36 -1.08 0.45 -0.68 116.67 122.80 1aq6 s ASP 15 Ca 0.11 0.33 0.21 0.00 -0.52 0.00 0.00 52.55 52.67 1aq6 s ASP 15 Cb -0.10 -2.48 0.87 0.00 -1.46 0.00 0.00 42.92 39.74 1aq6 s ASP 15 CO -0.00 -1.07 1.64 1.33 0.52 0.00 0.00 175.17 177.58 1aq6 n VAL 16 N 6.45 0.87 0.61 1.11 0.24 -1.26 -2.12 118.33 124.23 1aq6 n VAL 16 Ca 0.08 0.22 0.13 0.00 -2.04 0.00 0.00 64.34 62.73 1aq6 n VAL 16 Cb 0.49 -1.09 0.45 0.00 -1.47 0.00 0.00 33.84 32.21 1aq6 n VAL 16 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1aq6 n GLN 17 N -2.01 0.21 0.00 7.34 1.13 -1.26 -3.72 117.38 119.07 1aq6 n GLN 17 Ca 0.03 0.24 0.02 0.00 -1.94 0.00 0.00 57.00 55.35 1aq6 n GLN 17 Cb 0.22 -1.78 0.12 0.00 0.11 0.00 0.00 30.24 28.91 1aq6 n GLN 17 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1aq6 n SER 18 N -2.15 0.00 -0.37 1.08 3.41 -0.90 -1.69 113.62 113.00 1aq6 n SER 18 Ca 0.05 -1.07 0.14 0.00 -0.26 0.00 0.00 58.87 57.73 1aq6 n SER 18 Cb 0.36 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 64.84 1aq6 n SER 18 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1aq6 n VAL 19 N -0.61 0.00 -0.30 -3.33 0.24 -1.24 -4.53 118.33 108.56 1aq6 n VAL 19 Ca 0.03 -0.19 0.13 0.00 -2.04 0.00 0.00 64.34 62.27 1aq6 n VAL 19 Cb 0.01 0.37 0.30 0.00 -1.47 0.00 0.00 33.84 33.05 1aq6 n VAL 19 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1aq6 h ALA 20 N 4.14 1.33 -0.32 2.33 0.00 -1.63 -1.25 119.26 123.86 1aq6 h ALA 20 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1aq6 h ALA 20 Cb 0.46 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1aq6 h ALA 20 CO 0.00 -0.45 -0.09 -0.44 0.00 0.00 0.00 179.25 178.28 1aq6 h ASP 21 N 0.25 0.63 -0.75 0.00 5.19 -1.87 -1.30 116.42 118.57 1aq6 h ASP 21 Ca 0.56 -0.37 0.01 0.00 -0.62 0.00 0.00 57.03 56.61 1aq6 h ASP 21 Cb 1.13 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.43 1aq6 h ASP 21 CO -0.62 0.86 0.50 0.00 -3.12 0.00 0.00 179.24 176.85 1aq6 h ALA 22 N 0.80 0.95 -0.23 3.45 0.00 -1.60 -2.14 119.26 120.49 1aq6 h ALA 22 Ca 0.08 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1aq6 h ALA 22 Cb 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1aq6 h ALA 22 CO 0.03 0.37 -0.55 1.79 0.00 0.00 0.00 179.25 180.89 1aq6 h THR 23 N 1.02 1.29 -0.29 0.00 1.35 -1.19 -2.26 112.91 112.83 1aq6 h THR 23 Ca 0.27 -1.75 -0.00 0.00 -0.55 0.00 0.00 66.41 64.38 1aq6 h THR 23 Cb -0.12 1.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 1aq6 h THR 23 CO -0.06 0.56 0.17 -0.08 -0.25 0.00 0.00 175.52 175.86 1aq6 h GLU 24 N 0.51 0.38 -0.51 4.72 4.57 -1.16 -0.53 114.58 122.56 1aq6 h GLU 24 Ca -0.00 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.03 1aq6 h GLU 24 Cb 1.16 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1aq6 h GLU 24 CO 0.12 0.27 -0.15 0.00 -1.18 0.00 0.00 179.01 178.06 1aq6 h ARG 25 N 0.39 1.00 -0.24 1.92 3.08 -1.24 -1.73 114.38 117.57 1aq6 h ARG 25 Ca 0.10 -0.40 -0.05 0.00 0.07 0.00 0.00 59.98 59.70 1aq6 h ARG 25 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1aq6 h ARG 25 CO -0.02 1.08 -0.08 0.00 -1.07 0.00 0.00 179.97 179.88 1aq6 h ALA 26 N 0.90 1.43 -1.18 0.04 0.00 -0.52 -3.39 119.26 116.54 1aq6 h ALA 26 Ca 0.13 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1aq6 h ALA 26 Cb 0.73 -0.11 -0.20 0.00 0.00 0.00 0.00 17.79 18.20 1aq6 h ALA 26 CO 0.06 0.40 -0.51 -0.47 0.00 0.00 0.00 179.25 178.72 1aq6 s TYR 27 N -4.82 -1.40 0.11 0.00 6.14 -0.77 -5.11 117.35 111.51 1aq6 s TYR 27 Ca -0.06 -0.23 -0.36 0.00 0.64 0.00 0.00 57.07 57.06 1aq6 s TYR 27 Cb 0.15 0.18 -0.16 0.00 0.42 0.00 0.00 41.96 42.54 1aq6 s TYR 27 CO 0.75 -1.17 1.30 -2.30 0.64 0.00 0.00 175.55 174.77 1aq6 n PRO 28 N 3.91 1.17 -0.16 4.97 -0.02 -0.66 0.22 135.00 144.43 1aq6 n PRO 28 Ca 0.14 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1aq6 n PRO 28 Cb 0.55 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1aq6 n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aq6 n GLY 29 N 2.40 1.59 0.10 -1.23 0.00 -1.26 -4.82 105.19 101.95 1aq6 n GLY 29 Ca 0.17 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 1aq6 n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aq6 n ARG 30 N -2.00 1.44 -0.19 1.61 5.12 0.13 -4.83 116.66 117.95 1aq6 n ARG 30 Ca 0.00 -1.51 -0.03 0.00 -1.93 0.00 0.00 57.85 54.38 1aq6 n ARG 30 Cb 0.00 -0.96 0.07 0.00 -1.16 0.00 0.00 32.46 30.42 1aq6 n ARG 30 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1aq6 h GLY 31 N 0.00 0.80 1.31 -0.13 0.00 -1.74 -0.75 103.07 102.55 1aq6 h GLY 31 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 1aq6 h GLY 31 CO 0.00 0.09 -0.19 0.83 0.00 0.00 0.00 176.54 177.27 1aq6 h GLU 32 N 0.52 0.80 -0.26 4.80 5.08 -1.90 -1.23 114.58 122.39 1aq6 h GLU 32 Ca 0.26 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1aq6 h GLU 32 Cb 0.20 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1aq6 h GLU 32 CO -0.20 0.93 0.09 -0.92 -1.00 0.00 0.00 179.01 177.91 1aq6 h TYR 33 N 0.70 0.40 -0.45 4.33 3.20 -1.77 -2.80 116.97 120.57 1aq6 h TYR 33 Ca 0.10 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1aq6 h TYR 33 Cb 0.70 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.84 1aq6 h TYR 33 CO 0.04 0.43 0.23 0.82 -1.64 0.00 0.00 178.16 178.03 1aq6 h ILE 34 N 0.26 1.18 -0.33 1.81 2.04 -0.94 -1.51 117.51 120.02 1aq6 h ILE 34 Ca 0.08 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.53 1aq6 h ILE 34 Cb 0.21 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 1aq6 h ILE 34 CO -0.01 0.19 -0.11 0.74 0.00 0.00 0.00 178.15 178.97 1aq6 h THR 35 N 0.59 0.61 -0.18 -0.27 2.02 -1.15 0.14 112.91 114.67 1aq6 h THR 35 Ca 0.16 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.31 1aq6 h THR 35 Cb 0.10 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1aq6 h THR 35 CO -0.02 0.00 -0.00 1.56 0.37 0.00 0.00 175.52 177.43 1aq6 h GLN 36 N -0.04 0.33 -0.14 6.66 1.08 -1.29 -2.05 115.11 119.65 1aq6 h GLN 36 Ca 0.16 -0.10 -0.15 0.00 -1.45 0.00 0.00 58.65 57.10 1aq6 h GLN 36 Cb 0.29 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1aq6 h GLN 36 CO -0.36 0.53 -0.57 0.28 -0.95 0.00 0.00 178.83 177.77 1aq6 h VAL 37 N 0.08 1.34 -0.14 -0.54 2.07 -1.07 -1.42 116.25 116.58 1aq6 h VAL 37 Ca 0.05 -1.85 -0.00 0.00 0.82 0.00 0.00 66.70 65.72 1aq6 h VAL 37 Cb 0.39 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1aq6 h VAL 37 CO 0.01 0.56 0.08 -0.25 0.02 0.00 0.00 177.57 178.00 1aq6 h TRP 38 N 0.33 0.18 -0.44 1.57 7.01 -0.73 -0.18 115.95 123.70 1aq6 h TRP 38 Ca 0.00 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 1aq6 h TRP 38 Cb 1.09 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 28.07 1aq6 h TRP 38 CO 0.04 0.15 0.18 -0.09 -2.79 0.00 0.00 178.44 175.93 1aq6 h ARG 39 N 0.16 0.65 -0.47 2.65 9.65 -1.18 -1.04 114.38 124.79 1aq6 h ARG 39 Ca 0.05 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 1aq6 h ARG 39 Cb 0.02 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 1aq6 h ARG 39 CO -0.01 0.59 0.28 0.37 2.80 0.00 0.00 179.97 184.00 1aq6 h GLN 40 N 0.56 0.64 -0.08 0.20 5.75 -1.03 -2.49 115.11 118.66 1aq6 h GLN 40 Ca 0.15 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.45 1aq6 h GLN 40 Cb 0.18 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1aq6 h GLN 40 CO -0.01 0.47 -0.54 0.87 -2.65 0.00 0.00 178.83 176.97 1aq6 h LYS 41 N 0.62 0.22 -0.45 1.69 1.79 -0.96 -1.26 116.57 118.22 1aq6 h LYS 41 Ca 0.17 -0.13 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1aq6 h LYS 41 Cb 0.00 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 1aq6 h LYS 41 CO -0.03 0.71 0.30 0.37 -1.08 0.00 0.00 179.45 179.71 1aq6 h GLN 42 N 0.17 0.59 -0.09 3.15 4.15 -0.98 0.86 115.11 122.96 1aq6 h GLN 42 Ca 0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1aq6 h GLN 42 Cb 1.01 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.56 1aq6 h GLN 42 CO 0.08 0.39 0.02 -0.07 -1.93 0.00 0.00 178.83 177.32 1aq6 h LEU 43 N 0.61 0.15 -0.55 -2.39 3.38 -1.27 -2.05 115.31 113.18 1aq6 h LEU 43 Ca 0.16 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1aq6 h LEU 43 Cb -0.07 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1aq6 h LEU 43 CO -0.04 0.37 0.37 -0.33 0.09 0.00 0.00 178.44 178.90 1aq6 h GLU 44 N -0.08 0.73 -0.30 1.13 5.08 -1.10 -2.01 114.58 118.03 1aq6 h GLU 44 Ca 0.03 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1aq6 h GLU 44 Cb 0.28 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1aq6 h GLU 44 CO 0.00 0.48 -0.17 1.88 -1.00 0.00 0.00 179.01 180.20 1aq6 h TYR 45 N 0.75 0.59 -0.49 4.33 -1.99 -0.79 0.21 116.97 119.58 1aq6 h TYR 45 Ca 0.20 -0.11 -0.02 0.00 2.00 0.00 0.00 58.73 60.81 1aq6 h TYR 45 Cb -0.08 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 38.47 1aq6 h TYR 45 CO -0.04 0.68 0.24 0.66 -0.00 0.00 0.00 178.16 179.71 1aq6 h SER 46 N 0.49 0.64 -0.32 3.88 4.64 -1.03 -0.67 113.55 121.19 1aq6 h SER 46 Ca 0.08 -0.12 -0.18 0.00 -0.47 0.00 0.00 61.79 61.11 1aq6 h SER 46 Cb 0.57 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1aq6 h SER 46 CO 0.04 0.58 -0.49 -0.50 -0.87 0.00 0.00 176.83 175.59 1aq6 h TRP 47 N 0.65 1.10 0.01 4.77 6.55 -0.98 -2.77 115.95 125.27 1aq6 h TRP 47 Ca 0.17 -0.37 -0.23 0.00 0.95 0.00 0.00 58.89 59.41 1aq6 h TRP 47 Cb 0.10 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.19 1aq6 h TRP 47 CO -0.01 1.20 -0.96 -0.07 -1.05 0.00 0.00 178.44 177.55 1aq6 h LEU 48 N 0.69 0.56 -0.60 -4.49 3.38 -0.88 -0.48 115.31 113.48 1aq6 h LEU 48 Ca 0.03 -0.45 -0.12 0.00 0.09 0.00 0.00 57.88 57.43 1aq6 h LEU 48 Cb 1.09 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1aq6 h LEU 48 CO 0.11 1.25 -0.15 0.03 0.09 0.00 0.00 178.44 179.78 1aq6 h ARG 49 N 0.24 0.96 -0.20 1.13 3.08 -1.19 -1.06 114.38 117.33 1aq6 h ARG 49 Ca -0.09 -0.36 -0.03 0.00 0.07 0.00 0.00 59.98 59.57 1aq6 h ARG 49 Cb 1.60 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.59 1aq6 h ARG 49 CO 0.17 1.03 0.00 0.00 -1.07 0.00 0.00 179.97 180.10 1aq6 h ALA 50 N 0.98 0.27 -0.14 0.04 0.00 -1.41 0.77 119.26 119.78 1aq6 h ALA 50 Ca 0.13 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1aq6 h ALA 50 Cb 0.70 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1aq6 h ALA 50 CO 0.05 -0.01 -0.21 1.25 0.00 0.00 0.00 179.25 180.33 1aq6 h LEU 51 N 0.12 0.23 -0.80 0.00 5.85 -0.99 -1.30 115.31 118.42 1aq6 h LEU 51 Ca 0.06 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1aq6 h LEU 51 Cb 0.39 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1aq6 h LEU 51 CO 0.01 0.46 -0.19 0.24 -0.34 0.00 0.00 178.44 178.62 1aq6 h MET 52 N 0.22 0.00 -0.13 1.25 2.86 -1.10 -3.47 114.93 114.55 1aq6 h MET 52 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1aq6 h MET 52 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1aq6 h MET 52 CO 0.03 0.19 0.00 0.41 1.06 0.00 0.00 176.91 178.60 1aq6 n GLY 53 N 0.47 0.56 2.42 8.32 0.00 -0.49 -4.99 105.19 111.48 1aq6 n GLY 53 Ca 0.01 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1aq6 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aq6 n ARG 54 N -0.92 1.92 -2.03 1.61 5.12 0.20 -5.04 116.66 117.52 1aq6 n ARG 54 Ca 0.00 -4.10 -0.38 0.00 -1.93 0.00 0.00 57.85 51.44 1aq6 n ARG 54 Cb 0.46 -1.87 0.02 0.00 -1.16 0.00 0.00 32.46 29.91 1aq6 n ARG 54 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1aq6 s TYR 55 N -2.30 2.57 -0.02 -1.55 6.14 -1.25 -4.65 117.35 116.30 1aq6 s TYR 55 Ca 0.40 1.46 -0.05 0.00 0.64 0.00 0.00 57.07 59.52 1aq6 s TYR 55 Cb 0.21 -3.58 0.00 0.00 0.42 0.00 0.00 41.96 39.02 1aq6 s TYR 55 CO -0.07 -2.19 0.11 0.00 0.64 0.00 0.00 175.55 174.04 1aq6 s ALA 56 N -1.44 -0.26 1.08 3.97 0.00 -1.26 -5.09 121.76 118.76 1aq6 s ALA 56 Ca 0.68 0.04 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 1aq6 s ALA 56 Cb -0.34 -0.03 0.23 0.00 0.00 0.00 0.00 23.12 22.98 1aq6 s ALA 56 CO 0.40 -0.13 1.08 0.16 0.00 0.00 0.00 175.76 177.27 1aq6 s ASP 57 N -0.71 1.90 0.13 0.00 1.47 -1.26 -4.71 116.67 113.49 1aq6 s ASP 57 Ca -0.08 1.11 0.15 0.00 1.18 0.00 0.00 52.55 54.92 1aq6 s ASP 57 Cb -0.05 -1.72 0.70 0.00 -0.34 0.00 0.00 42.92 41.51 1aq6 s ASP 57 CO 0.01 -3.57 1.48 0.33 0.68 0.00 0.00 175.17 174.09 1aq6 n PHE 58 N -4.46 0.37 0.10 2.11 7.35 -1.26 -1.44 117.46 120.22 1aq6 n PHE 58 Ca 0.06 0.16 -0.17 0.00 -0.76 0.00 0.00 57.45 56.74 1aq6 n PHE 58 Cb 0.57 -0.76 -0.11 0.00 0.35 0.00 0.00 39.48 39.53 1aq6 n PHE 58 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 1aq6 h TRP 59 N 0.00 0.68 -0.23 -5.13 2.91 -1.92 -0.93 115.95 111.33 1aq6 h TRP 59 Ca 0.00 -0.45 -0.18 0.00 1.13 0.00 0.00 58.89 59.40 1aq6 h TRP 59 Cb 0.19 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1aq6 h TRP 59 CO 0.00 1.31 -0.54 0.78 -1.03 0.00 0.00 178.44 178.96 1aq6 h GLY 60 N 1.08 0.85 0.99 2.65 0.00 -1.58 -2.44 103.07 104.63 1aq6 h GLY 60 Ca -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 47.33 46.15 1aq6 h GLY 60 CO 0.21 0.93 0.24 -2.08 0.00 0.00 0.00 176.54 175.84 1aq6 h VAL 61 N 0.52 1.12 -0.54 4.60 2.07 -1.30 0.55 116.25 123.26 1aq6 h VAL 61 Ca -0.00 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1aq6 h VAL 61 Cb 1.15 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1aq6 h VAL 61 CO 0.12 0.11 0.30 0.74 0.02 0.00 0.00 177.57 178.86 1aq6 h THR 62 N 0.51 1.18 -0.37 2.57 2.02 -1.13 0.10 112.91 117.79 1aq6 h THR 62 Ca 0.14 -0.45 -0.16 0.00 0.77 0.00 0.00 66.41 66.72 1aq6 h THR 62 Cb -0.02 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1aq6 h THR 62 CO -0.03 0.19 -0.38 0.03 0.37 0.00 0.00 175.52 175.70 1aq6 h ARG 63 N 0.72 0.92 -0.34 6.66 3.08 -1.27 -0.82 114.38 123.33 1aq6 h ARG 63 Ca 0.19 -0.49 0.02 0.00 0.07 0.00 0.00 59.98 59.77 1aq6 h ARG 63 Cb 0.04 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 1aq6 h ARG 63 CO -0.03 1.14 0.18 0.93 -1.07 0.00 0.00 179.97 181.12 1aq6 h GLU 64 N 0.73 0.37 -0.61 0.04 5.08 -0.58 0.21 114.58 119.81 1aq6 h GLU 64 Ca 0.06 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1aq6 h GLU 64 Cb 0.97 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1aq6 h GLU 64 CO 0.09 0.24 0.21 0.00 -1.00 0.00 0.00 179.01 178.56 1aq6 h ALA 65 N 1.16 1.22 -0.38 3.43 0.00 -0.73 -1.62 119.26 122.34 1aq6 h ALA 65 Ca 0.14 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1aq6 h ALA 65 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1aq6 h ALA 65 CO -0.08 0.56 -0.11 1.25 0.00 0.00 0.00 179.25 180.87 1aq6 h LEU 66 N 0.89 0.76 -0.25 0.00 5.85 -0.67 -1.93 115.31 119.96 1aq6 h LEU 66 Ca 0.20 -0.37 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1aq6 h LEU 66 Cb 0.22 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 1aq6 h LEU 66 CO -0.01 0.95 0.10 0.00 -0.34 0.00 0.00 178.44 179.14 1aq6 h ALA 67 N 0.83 0.29 -0.14 1.25 0.00 -0.74 -1.03 119.26 119.72 1aq6 h ALA 67 Ca 0.10 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1aq6 h ALA 67 Cb 0.63 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 1aq6 h ALA 67 CO 0.04 -0.31 -0.18 -0.92 0.00 0.00 0.00 179.25 177.88 1aq6 h TYR 68 N 0.22 -0.48 -0.10 0.00 5.03 -1.24 -0.45 116.97 119.95 1aq6 h TYR 68 Ca 0.11 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.45 1aq6 h TYR 68 Cb 0.06 0.23 -0.01 0.00 1.55 0.00 0.00 36.73 38.56 1aq6 h TYR 68 CO -0.12 -0.26 0.04 1.15 -1.32 0.00 0.00 178.16 177.65 1aq6 h THR 69 N -0.23 0.98 -0.06 1.81 2.02 -1.03 -1.30 112.91 115.10 1aq6 h THR 69 Ca 0.10 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 1aq6 h THR 69 Cb 0.38 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1aq6 h THR 69 CO -0.28 0.02 -0.29 -0.07 0.37 0.00 0.00 175.52 175.27 1aq6 h LEU 70 N 0.09 0.10 -1.17 2.58 3.38 -1.16 -2.81 115.31 116.32 1aq6 h LEU 70 Ca 0.04 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1aq6 h LEU 70 Cb 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1aq6 h LEU 70 CO -0.04 0.40 -0.30 1.23 0.09 0.00 0.00 178.44 179.82 1aq6 h GLY 71 N 0.96 0.21 1.84 0.83 0.00 -0.34 -2.28 103.07 104.30 1aq6 h GLY 71 Ca 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1aq6 h GLY 71 CO 0.04 0.15 -0.07 -0.91 0.00 0.00 0.00 176.54 175.75 1aq6 h THR 72 N 0.17 1.14 0.00 4.70 1.35 -0.98 -0.39 112.91 118.90 1aq6 h THR 72 Ca 0.03 -0.59 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1aq6 h THR 72 Cb 0.62 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1aq6 h THR 72 CO 0.05 0.19 0.00 0.18 -0.25 0.00 0.00 175.52 175.68 1aq6 n LEU 73 N -4.34 0.00 0.00 3.87 4.77 -1.05 -4.91 117.00 115.35 1aq6 n LEU 73 Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1aq6 n LEU 73 Cb 0.22 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1aq6 n LEU 73 CO 0.37 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1aq6 n GLY 74 N 1.07 0.76 3.94 -0.72 0.00 -0.16 -5.07 105.19 105.00 1aq6 n GLY 74 Ca 0.20 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 1aq6 n GLY 74 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aq6 s LEU 75 N 0.00 3.65 -0.40 0.99 1.43 -0.88 -4.99 118.68 118.48 1aq6 s LEU 75 Ca 0.00 0.50 0.07 0.00 -1.03 0.00 0.00 54.13 53.67 1aq6 s LEU 75 Cb 0.00 -3.38 0.23 0.00 0.03 0.00 0.00 46.19 43.07 1aq6 s LEU 75 CO 0.00 -0.65 0.50 -0.62 0.23 0.00 0.00 176.35 175.81 1aq6 n GLU 76 N -2.13 0.60 -2.11 1.70 -0.58 -1.26 -3.99 120.64 112.87 1aq6 n GLU 76 Ca 0.00 -3.13 -0.41 0.00 -0.42 0.00 0.00 57.16 53.21 1aq6 n GLU 76 Cb 0.57 -1.32 -0.02 0.00 -0.57 0.00 0.00 31.44 30.10 1aq6 n GLU 76 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1aq6 s PRO 77 N -0.82 4.35 0.84 3.49 0.04 -1.26 -5.02 135.00 136.62 1aq6 s PRO 77 Ca 0.34 2.22 -0.12 0.00 0.04 0.00 0.00 61.00 63.48 1aq6 s PRO 77 Cb 0.14 -3.08 0.10 0.00 0.04 0.00 0.00 34.50 31.71 1aq6 s PRO 77 CO -0.13 -0.20 1.16 0.16 0.04 0.00 0.00 177.00 178.02 1aq6 s ASP 78 N -0.42 4.19 0.30 6.66 1.47 -1.26 -4.86 116.67 122.74 1aq6 s ASP 78 Ca 0.50 0.87 0.01 0.00 1.18 0.00 0.00 52.55 55.10 1aq6 s ASP 78 Cb -0.40 -1.41 0.53 0.00 -0.34 0.00 0.00 42.92 41.30 1aq6 s ASP 78 CO 0.52 -2.11 1.90 -0.08 0.68 0.00 0.00 175.17 176.08 1aq6 h GLU 79 N -1.20 1.00 -0.47 2.11 4.57 -1.99 -2.38 114.58 116.23 1aq6 h GLU 79 Ca -0.48 -0.06 -0.09 0.00 -1.18 0.00 0.00 59.36 57.56 1aq6 h GLU 79 Cb 1.33 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 1aq6 h GLU 79 CO 0.64 0.66 -0.06 1.03 -1.18 0.00 0.00 179.01 180.10 1aq6 h SER 80 N 1.03 0.80 -0.50 1.04 0.87 -1.99 0.28 113.55 115.09 1aq6 h SER 80 Ca 0.41 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 1aq6 h SER 80 Cb 0.24 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 1aq6 h SER 80 CO -0.16 0.91 0.12 0.15 -0.53 0.00 0.00 176.83 177.32 1aq6 h PHE 81 N 0.75 0.83 -0.03 2.24 3.04 -1.81 -1.74 116.94 120.22 1aq6 h PHE 81 Ca 0.13 -0.10 -0.00 0.00 3.98 0.00 0.00 57.97 61.98 1aq6 h PHE 81 Cb 0.55 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.82 1aq6 h PHE 81 CO 0.03 0.74 0.01 -0.07 -2.02 0.00 0.00 178.31 177.00 1aq6 h LEU 82 N 0.68 0.05 -0.55 0.59 3.38 -1.01 0.07 115.31 118.51 1aq6 h LEU 82 Ca 0.16 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1aq6 h LEU 82 Cb 0.33 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1aq6 h LEU 82 CO 0.00 0.26 0.34 0.00 0.09 0.00 0.00 178.44 179.13 1aq6 h ALA 83 N 0.79 0.71 0.21 1.53 0.00 -0.97 0.14 119.26 121.67 1aq6 h ALA 83 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1aq6 h ALA 83 Cb 0.23 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1aq6 h ALA 83 CO 0.00 0.07 -0.10 0.22 0.00 0.00 0.00 179.25 179.44 1aq6 h ASP 84 N 0.68 -0.24 0.11 0.00 1.82 -1.25 -3.06 116.42 114.48 1aq6 h ASP 84 Ca 0.22 -0.07 -0.08 0.00 -0.39 0.00 0.00 57.03 56.72 1aq6 h ASP 84 Cb -0.00 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.06 1aq6 h ASP 84 CO -0.09 -0.08 -0.25 -0.03 -1.61 0.00 0.00 179.24 177.18 1aq6 h MET 85 N -0.38 0.25 0.00 0.28 4.05 -0.76 -2.77 114.93 115.60 1aq6 h MET 85 Ca -0.03 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.31 1aq6 h MET 85 Cb 0.29 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1aq6 h MET 85 CO 0.05 0.49 0.00 0.00 0.23 0.00 0.00 176.91 177.68 1aq6 h ALA 86 N 1.52 1.00 0.00 0.39 0.00 -0.65 -2.66 119.26 118.86 1aq6 h ALA 86 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1aq6 h ALA 86 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1aq6 h ALA 86 CO 0.04 0.00 -0.00 1.96 0.00 0.00 0.00 179.25 181.25 1aq6 h GLN 87 N 0.00 0.00 -0.60 0.00 1.08 -1.39 -1.29 115.11 112.90 1aq6 h GLN 87 Ca 0.00 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.32 1aq6 h GLN 87 Cb 0.29 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.69 1aq6 h GLN 87 CO 0.00 0.00 0.41 0.00 -0.95 0.00 0.00 178.83 178.29 1aq6 h ALA 88 N 2.00 2.12 0.00 3.87 0.00 -1.68 0.70 119.26 126.27 1aq6 h ALA 88 Ca -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1aq6 h ALA 88 Cb 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1aq6 h ALA 88 CO 0.00 -0.27 -0.02 1.88 0.00 0.00 0.00 179.25 180.84 1aq6 h TYR 89 N 0.32 0.00 -0.04 0.00 0.05 -1.48 -1.37 116.97 114.45 1aq6 h TYR 89 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.06 1aq6 h TYR 89 Cb 0.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1aq6 h TYR 89 CO -0.00 0.02 0.00 0.09 -1.05 0.00 0.00 178.16 177.22 1aq6 n ASN 90 N -3.13 1.28 -0.08 3.88 3.02 0.22 -3.97 115.26 116.48 1aq6 n ASN 90 Ca 0.00 -1.47 0.07 0.00 -0.03 0.00 0.00 54.58 53.15 1aq6 n ASN 90 Cb 0.30 -0.02 0.10 0.00 -0.61 0.00 0.00 39.78 39.55 1aq6 n ASN 90 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1aq6 n ARG 91 N 0.02 1.52 -1.71 3.52 1.74 -0.53 -3.76 116.66 117.46 1aq6 n ARG 91 Ca 0.19 -2.23 -0.42 0.00 -0.77 0.00 0.00 57.85 54.62 1aq6 n ARG 91 Cb 0.31 -1.32 -0.01 0.00 -1.02 0.00 0.00 32.46 30.42 1aq6 n ARG 91 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1aq6 n LEU 92 N -1.14 3.81 -4.74 0.55 4.77 -1.17 -4.95 117.00 114.13 1aq6 n LEU 92 Ca 0.12 1.20 -0.41 0.00 -0.03 0.00 0.00 56.01 56.89 1aq6 n LEU 92 Cb 0.56 -1.51 -0.05 0.00 -2.33 0.00 0.00 43.42 40.09 1aq6 n LEU 92 CO 0.01 -0.32 0.68 -0.89 -1.33 0.00 0.00 177.39 175.54 1aq6 s THR 93 N -0.97 4.21 0.66 -5.08 2.01 -1.26 -4.82 115.64 110.39 1aq6 s THR 93 Ca 0.56 2.00 -0.15 0.00 0.31 0.00 0.00 61.69 64.41 1aq6 s THR 93 Cb -0.55 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 67.68 1aq6 s THR 93 CO 0.61 0.39 1.13 -2.16 -0.69 0.00 0.00 174.62 173.90 1aq6 s PRO 94 N -0.57 2.73 0.50 4.92 0.04 -1.26 -0.41 135.00 140.95 1aq6 s PRO 94 Ca 0.45 1.49 -0.23 0.00 0.04 0.00 0.00 61.00 62.75 1aq6 s PRO 94 Cb -0.25 -1.93 -0.06 0.00 0.04 0.00 0.00 34.50 32.29 1aq6 s PRO 94 CO 0.32 -1.32 1.29 0.71 0.04 0.00 0.00 177.00 178.04 1aq6 s TYR 95 N -2.20 2.54 0.49 0.56 1.51 -0.23 -4.76 117.35 115.26 1aq6 s TYR 95 Ca 0.69 1.43 0.23 0.00 -1.01 0.00 0.00 57.07 58.41 1aq6 s TYR 95 Cb -0.23 -3.65 1.29 0.00 -0.11 0.00 0.00 41.96 39.26 1aq6 s TYR 95 CO 0.41 -2.37 1.93 -1.35 -1.11 0.00 0.00 175.55 173.06 1aq6 h PRO 96 N 1.81 0.15 -0.47 -1.71 0.11 -1.93 -1.42 132.00 128.54 1aq6 h PRO 96 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1aq6 h PRO 96 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1aq6 h PRO 96 CO 0.59 0.10 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 1aq6 n ASP 97 N -4.40 3.01 0.01 -2.05 5.75 -1.26 -4.54 116.55 113.07 1aq6 n ASP 97 Ca 0.14 -1.95 -0.12 0.00 -0.01 0.00 0.00 54.79 52.85 1aq6 n ASP 97 Cb 0.69 -0.31 -0.08 0.00 -1.03 0.00 0.00 41.12 40.39 1aq6 n ASP 97 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1aq6 h ALA 98 N 4.20 0.04 -0.14 2.12 0.00 -1.60 -1.68 119.26 122.19 1aq6 h ALA 98 Ca 0.00 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.86 1aq6 h ALA 98 Cb 0.80 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1aq6 h ALA 98 CO 0.00 -0.36 -0.35 0.00 0.00 0.00 0.00 179.25 178.55 1aq6 h ALA 99 N 0.82 -0.42 -0.49 0.00 0.00 -1.80 -0.62 119.26 116.76 1aq6 h ALA 99 Ca 0.01 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1aq6 h ALA 99 Cb 0.19 0.66 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1aq6 h ALA 99 CO -0.00 -0.83 0.30 0.37 0.00 0.00 0.00 179.25 179.10 1aq6 h GLN 100 N -0.41 0.59 -0.08 0.00 4.15 -1.85 -1.77 115.11 115.73 1aq6 h GLN 100 Ca 0.09 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.49 1aq6 h GLN 100 Cb 0.57 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1aq6 h GLN 100 CO -0.37 0.39 -0.01 0.00 -1.93 0.00 0.00 178.83 176.91 1aq6 h LEU 102 N 0.02 0.42 -0.52 0.00 3.38 -0.89 -2.00 115.31 115.73 1aq6 h LEU 102 Ca 0.04 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.08 1aq6 h LEU 102 Cb 0.05 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1aq6 h LEU 102 CO -0.07 0.31 0.14 0.00 0.09 0.00 0.00 178.44 178.91 1aq6 h ALA 103 N 1.13 0.61 0.00 1.53 0.00 -1.19 -1.03 119.26 120.32 1aq6 h ALA 103 Ca 0.13 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1aq6 h ALA 103 Cb -0.05 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1aq6 h ALA 103 CO -0.03 -0.26 -0.23 0.93 0.00 0.00 0.00 179.25 179.66 1aq6 h GLU 104 N 0.30 0.00 0.00 0.00 5.08 -1.09 -3.12 114.58 115.75 1aq6 h GLU 104 Ca 0.26 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1aq6 h GLU 104 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1aq6 h GLU 104 CO -0.30 0.23 -0.18 -0.07 -1.00 0.00 0.00 179.01 177.69 1aq6 h LEU 105 N 0.00 0.00-10.15 1.33 3.38 -0.44 -3.44 115.31 105.99 1aq6 h LEU 105 Ca -0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1aq6 h LEU 105 Cb 0.50 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.39 1aq6 h LEU 105 CO 0.03 0.18 0.43 0.00 0.09 0.00 0.00 178.44 179.16 1aq6 s ALA 106 N -3.56 2.26 -1.61 1.53 0.00 -1.18 -1.72 121.76 117.49 1aq6 s ALA 106 Ca 0.02 0.94 0.12 0.00 0.00 0.00 0.00 51.96 53.03 1aq6 s ALA 106 Cb 0.09 -3.47 0.40 0.00 0.00 0.00 0.00 23.12 20.15 1aq6 s ALA 106 CO 0.63 -1.66 1.29 -0.35 0.00 0.00 0.00 175.76 175.67 1aq6 n PRO 107 N -2.35 2.34 -1.26 0.00 -0.04 -1.26 -5.08 135.00 127.35 1aq6 n PRO 107 Ca 0.14 -1.62 -0.36 0.00 -0.04 0.00 0.00 63.50 61.63 1aq6 n PRO 107 Cb 0.50 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.54 1aq6 n PRO 107 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1aq6 n LEU 108 N 0.64 2.16 -4.76 1.53 4.77 -0.70 -4.88 117.00 115.76 1aq6 n LEU 108 Ca 0.15 0.61 -0.41 0.00 -0.03 0.00 0.00 56.01 56.33 1aq6 n LEU 108 Cb 0.48 -1.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.23 1aq6 n LEU 108 CO 0.12 -2.58 1.03 -0.54 -1.33 0.00 0.00 177.39 174.09 1aq6 s LYS 109 N -3.15 4.30 -0.10 3.23 1.02 -0.56 -4.90 119.74 119.59 1aq6 s LYS 109 Ca 0.69 2.28 0.02 0.00 0.02 0.00 0.00 55.97 58.98 1aq6 s LYS 109 Cb -0.34 -3.07 0.01 0.00 -0.52 0.00 0.00 37.83 33.92 1aq6 s LYS 109 CO 0.55 -0.29 -0.16 1.03 -0.92 0.00 0.00 175.35 175.56 1aq6 s ARG 110 N -1.44 2.24 0.16 1.68 0.52 -1.26 -0.63 118.95 120.21 1aq6 s ARG 110 Ca 0.52 -0.58 -0.05 0.00 -0.52 0.00 0.00 55.73 55.10 1aq6 s ARG 110 Cb -0.41 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.19 1aq6 s ARG 110 CO 0.51 -0.00 0.19 0.00 0.02 0.00 0.00 175.30 176.02 1aq6 s ALA 111 N 0.81 0.44 -0.08 2.13 0.00 0.17 0.03 121.76 125.25 1aq6 s ALA 111 Ca -0.10 -1.19 0.02 0.00 0.00 0.00 0.00 51.96 50.68 1aq6 s ALA 111 Cb -0.16 0.93 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1aq6 s ALA 111 CO 0.01 -0.59 -0.11 0.42 0.00 0.00 0.00 175.76 175.49 1aq6 s ILE 112 N -4.02 3.29 -0.29 0.00 1.01 -0.87 -0.32 121.20 120.01 1aq6 s ILE 112 Ca 0.22 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1aq6 s ILE 112 Cb 0.05 -2.33 0.08 0.00 0.01 0.00 0.00 42.46 40.27 1aq6 s ILE 112 CO 0.02 0.57 -0.01 -0.22 0.00 0.00 0.00 174.94 175.31 1aq6 s LEU 113 N -0.46 3.65 0.13 2.97 2.96 -0.45 0.08 118.68 127.56 1aq6 s LEU 113 Ca 0.06 -1.68 0.04 0.00 -0.22 0.00 0.00 54.13 52.34 1aq6 s LEU 113 Cb -0.12 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.10 1aq6 s LEU 113 CO 0.02 -0.30 -0.11 -0.55 -1.32 0.00 0.00 176.35 174.09 1aq6 s SER 114 N 1.14 1.74 0.44 3.68 0.15 -0.66 -4.10 113.70 116.10 1aq6 s SER 114 Ca 0.02 -0.94 0.23 0.00 0.70 0.00 0.00 55.95 55.96 1aq6 s SER 114 Cb -0.19 -0.01 1.01 0.00 -1.71 0.00 0.00 66.02 65.12 1aq6 s SER 114 CO -0.09 -0.29 1.88 0.78 1.20 0.00 0.00 173.24 176.73 1aq6 h ASN 115 N 3.06 0.00 -2.12 5.45 2.35 -1.96 -1.98 115.58 120.38 1aq6 h ASN 115 Ca -0.37 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 54.75 1aq6 h ASN 115 Cb 1.19 0.00 0.10 0.00 0.05 0.00 0.00 38.32 39.66 1aq6 h ASN 115 CO 0.59 0.24 0.12 0.61 -1.65 0.00 0.00 177.43 177.34 1aq6 n GLY 116 N -0.15 -0.29 3.77 2.83 0.00 -1.26 -4.28 105.19 105.81 1aq6 n GLY 116 Ca -0.01 0.41 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 1aq6 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aq6 s ALA 117 N -0.73 2.45 0.18 4.61 0.00 -1.26 -4.29 121.76 122.72 1aq6 s ALA 117 Ca 0.65 0.61 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 1aq6 s ALA 117 Cb -0.78 -3.34 0.17 0.00 0.00 0.00 0.00 23.12 19.17 1aq6 s ALA 117 CO 0.57 -1.30 1.68 -1.35 0.00 0.00 0.00 175.76 175.35 1aq6 h PRO 118 N 0.09 0.09 -0.34 0.00 0.11 -1.95 -1.49 132.00 128.51 1aq6 h PRO 118 Ca -0.47 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.67 1aq6 h PRO 118 Cb 1.25 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1aq6 h PRO 118 CO 0.54 0.06 0.11 -0.44 -0.21 0.00 0.00 178.00 178.06 1aq6 h ASP 119 N 0.09 0.12 -0.15 -2.05 3.32 -2.00 -1.64 116.42 114.11 1aq6 h ASP 119 Ca 0.24 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.38 1aq6 h ASP 119 Cb 0.36 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1aq6 h ASP 119 CO -0.42 0.10 -0.29 0.24 -1.72 0.00 0.00 179.24 177.15 1aq6 h MET 120 N 0.26 -0.34 -0.80 3.56 2.86 -1.68 -1.94 114.93 116.84 1aq6 h MET 120 Ca 0.15 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.78 1aq6 h MET 120 Cb 0.13 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 1aq6 h MET 120 CO -0.16 -0.23 0.35 -0.07 1.06 0.00 0.00 176.91 177.86 1aq6 h LEU 121 N -0.36 1.08 0.24 1.22 3.38 -1.04 -1.24 115.31 118.59 1aq6 h LEU 121 Ca 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1aq6 h LEU 121 Cb 0.51 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1aq6 h LEU 121 CO -0.35 0.94 -0.19 -0.61 0.09 0.00 0.00 178.44 178.32 1aq6 h GLN 122 N 1.16 -0.43 0.00 1.13 4.15 -1.00 -1.07 115.11 119.06 1aq6 h GLN 122 Ca 0.27 0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.64 1aq6 h GLN 122 Cb 0.17 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1aq6 h GLN 122 CO -0.03 -0.28 -0.38 0.00 -1.93 0.00 0.00 178.83 176.21 1aq6 h ALA 123 N 0.27 1.30 -0.15 3.38 0.00 -1.25 -1.58 119.26 121.23 1aq6 h ALA 123 Ca -0.01 -0.34 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 1aq6 h ALA 123 Cb 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1aq6 h ALA 123 CO -0.02 0.47 -0.49 1.25 0.00 0.00 0.00 179.25 180.46 1aq6 h LEU 124 N 0.00 0.69 -0.34 0.00 5.85 -1.08 -2.19 115.31 118.24 1aq6 h LEU 124 Ca -0.00 -0.60 -0.15 0.00 0.84 0.00 0.00 57.88 57.96 1aq6 h LEU 124 Cb 0.70 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1aq6 h LEU 124 CO 0.05 1.17 -0.37 0.58 -0.34 0.00 0.00 178.44 179.54 1aq6 h VAL 125 N 0.24 1.28 -0.03 1.05 2.07 -1.09 -2.87 116.25 116.90 1aq6 h VAL 125 Ca -0.02 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 1aq6 h VAL 125 Cb 1.12 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1aq6 h VAL 125 CO 0.10 0.51 0.01 0.00 0.02 0.00 0.00 177.57 178.21 1aq6 h ALA 126 N 0.73 0.04 -0.96 1.67 0.00 -1.35 -1.77 119.26 117.62 1aq6 h ALA 126 Ca 0.05 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.07 1aq6 h ALA 126 Cb 0.96 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 1aq6 h ALA 126 CO 0.09 -0.38 0.61 -0.97 0.00 0.00 0.00 179.25 178.60 1aq6 h ASN 127 N -0.12 0.59 -0.04 0.00 -0.73 -1.42 0.75 115.58 114.60 1aq6 h ASN 127 Ca 0.01 0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.25 1aq6 h ASN 127 Cb 0.17 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1aq6 h ASN 127 CO -0.00 0.22 0.00 0.00 -0.37 0.00 0.00 177.43 177.28 1aq6 n ALA 128 N -2.43 2.58 -3.29 1.57 0.00 -1.09 -4.94 120.51 112.90 1aq6 n ALA 128 Ca 0.21 -0.44 -0.18 0.00 0.00 0.00 0.00 53.44 53.04 1aq6 n ALA 128 Cb 0.64 -1.18 0.06 0.00 0.00 0.00 0.00 19.45 18.97 1aq6 n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aq6 n GLY 129 N 1.15 -0.19 0.16 0.00 0.00 0.26 -4.93 105.19 101.64 1aq6 n GLY 129 Ca 0.19 0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1aq6 n GLY 129 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1aq6 n LEU 130 N -3.86 2.29 -0.34 0.99 4.77 -0.69 -4.77 117.00 115.39 1aq6 n LEU 130 Ca -0.00 -2.19 0.08 0.00 -0.03 0.00 0.00 56.01 53.87 1aq6 n LEU 130 Cb 0.55 -0.12 0.27 0.00 -2.33 0.00 0.00 43.42 41.78 1aq6 n LEU 130 CO 0.48 0.58 1.23 0.74 -1.33 0.00 0.00 177.39 179.09 1aq6 h THR 131 N 0.44 0.90 -0.01 -5.08 2.02 -1.89 -0.82 112.91 108.48 1aq6 h THR 131 Ca 0.00 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1aq6 h THR 131 Cb 0.65 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1aq6 h THR 131 CO 0.01 0.17 0.00 0.47 0.37 0.00 0.00 175.52 176.54 1aq6 n ASP 132 N -4.61 0.46 -0.16 4.18 8.00 -1.26 -3.31 116.55 119.84 1aq6 n ASP 132 Ca 0.19 -1.16 0.13 0.00 0.71 0.00 0.00 54.79 54.65 1aq6 n ASP 132 Cb 0.38 -0.00 0.37 0.00 -0.02 0.00 0.00 41.12 41.84 1aq6 n ASP 132 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1aq6 n SER 133 N -0.64 0.81 -4.18 -2.24 7.64 -0.31 -4.91 113.62 109.79 1aq6 n SER 133 Ca 0.22 -0.66 -0.23 0.00 1.01 0.00 0.00 58.87 59.22 1aq6 n SER 133 Cb 0.18 0.13 -0.14 0.00 -1.01 0.00 0.00 64.21 63.38 1aq6 n SER 133 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1aq6 s PHE 134 N -2.64 1.47 0.12 1.43 0.08 -1.21 -4.80 117.98 112.43 1aq6 s PHE 134 Ca 0.21 -0.34 0.08 0.00 0.12 0.00 0.00 56.93 57.00 1aq6 s PHE 134 Cb 0.19 -0.89 -0.14 0.00 -0.57 0.00 0.00 43.02 41.60 1aq6 s PHE 134 CO 0.56 0.04 1.32 -0.44 -0.10 0.00 0.00 175.22 176.61 1aq6 h ASP 135 N 5.08 0.00 -4.40 1.36 3.32 -0.73 -3.46 116.42 117.58 1aq6 h ASP 135 Ca -0.39 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.57 1aq6 h ASP 135 Cb 1.17 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.50 1aq6 h ASP 135 CO 0.45 0.94 -0.05 0.00 -1.72 0.00 0.00 179.24 178.86 1aq6 s ALA 136 N -2.80 -1.34 -0.41 3.45 0.00 -1.21 -5.05 121.76 114.40 1aq6 s ALA 136 Ca 0.01 1.25 0.03 0.00 0.00 0.00 0.00 51.96 53.25 1aq6 s ALA 136 Cb 0.10 -0.49 0.11 0.00 0.00 0.00 0.00 23.12 22.84 1aq6 s ALA 136 CO 0.81 -0.29 0.14 0.08 0.00 0.00 0.00 175.76 176.51 1aq6 s VAL 137 N -0.38 2.51 -0.22 0.00 1.01 -1.26 -2.04 120.40 120.02 1aq6 s VAL 137 Ca -0.05 -2.64 -0.18 0.00 0.00 0.00 0.00 61.98 59.11 1aq6 s VAL 137 Cb -0.03 -2.80 -0.03 0.00 0.00 0.00 0.00 36.38 33.52 1aq6 s VAL 137 CO 0.04 -0.68 0.50 -0.63 0.00 0.00 0.00 175.10 174.32 1aq6 s ILE 138 N 0.53 5.11 0.09 2.22 1.01 0.11 -4.95 121.20 125.32 1aq6 s ILE 138 Ca 0.13 0.89 -0.04 0.00 0.00 0.00 0.00 60.65 61.63 1aq6 s ILE 138 Cb -0.21 -3.82 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 1aq6 s ILE 138 CO -0.05 0.17 0.31 -0.55 0.00 0.00 0.00 174.94 174.81 1aq6 s SER 139 N 1.24 6.45 0.18 3.58 0.15 -1.26 -1.66 113.70 122.38 1aq6 s SER 139 Ca 0.22 0.49 0.24 0.00 0.70 0.00 0.00 55.95 57.60 1aq6 s SER 139 Cb -0.15 -2.05 0.91 0.00 -1.71 0.00 0.00 66.02 63.01 1aq6 s SER 139 CO 0.09 0.12 1.72 1.33 1.20 0.00 0.00 173.24 177.71 1aq6 n VAL 140 N 0.34 0.68 -0.33 4.45 0.24 -0.74 -4.23 118.33 118.74 1aq6 n VAL 140 Ca -0.05 0.04 0.16 0.00 -2.04 0.00 0.00 64.34 62.45 1aq6 n VAL 140 Cb 0.52 -0.88 0.36 0.00 -1.47 0.00 0.00 33.84 32.37 1aq6 n VAL 140 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1aq6 h ASP 141 N 0.00 0.50 0.16 -1.34 3.58 -1.84 -1.09 116.42 116.39 1aq6 h ASP 141 Ca 0.00 0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.58 1aq6 h ASP 141 Cb 0.49 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.62 1aq6 h ASP 141 CO 0.00 0.03 -0.10 0.00 -2.88 0.00 0.00 179.24 176.29 1aq6 h ALA 142 N 1.73 1.60 0.00 -0.78 0.00 -1.96 -1.57 119.26 118.28 1aq6 h ALA 142 Ca 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1aq6 h ALA 142 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1aq6 h ALA 142 CO -0.51 0.12 -0.40 1.63 0.00 0.00 0.00 179.25 180.09 1aq6 n LYS 143 N -4.07 0.05 -3.81 0.00 4.76 -0.43 -4.97 118.16 109.69 1aq6 n LYS 143 Ca -0.02 0.02 -0.24 0.00 -2.87 0.00 0.00 58.31 55.19 1aq6 n LYS 143 Cb 0.18 -1.53 0.02 0.00 -1.84 0.00 0.00 35.03 31.86 1aq6 n LYS 143 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1aq6 n ARG 144 N -1.61 -4.61 -4.25 1.97 1.74 -0.59 -4.99 116.66 104.32 1aq6 n ARG 144 Ca 0.05 0.56 -0.17 0.00 -0.77 0.00 0.00 57.85 57.53 1aq6 n ARG 144 Cb 0.35 -5.09 -0.09 0.00 -1.02 0.00 0.00 32.46 26.62 1aq6 n ARG 144 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1aq6 s VAL 145 N -3.66 0.00 0.18 1.55 -7.23 -1.26 -4.73 120.40 105.25 1aq6 s VAL 145 Ca 0.14 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.38 1aq6 s VAL 145 Cb -0.07 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 1aq6 s VAL 145 CO 0.84 0.00 -0.14 -0.36 -0.31 0.00 0.00 175.10 175.13 1aq6 s PHE 146 N -3.72 1.58 0.51 2.82 0.08 -1.26 -4.62 117.98 113.37 1aq6 s PHE 146 Ca 0.40 -0.60 -0.23 0.00 0.12 0.00 0.00 56.93 56.62 1aq6 s PHE 146 Cb 0.04 -0.76 -0.06 0.00 -0.57 0.00 0.00 43.02 41.67 1aq6 s PHE 146 CO 0.22 0.27 1.34 0.15 -0.10 0.00 0.00 175.22 177.09 1aq6 s LYS 147 N -3.45 3.34 -0.41 0.44 1.02 -1.26 -1.27 119.74 118.14 1aq6 s LYS 147 Ca 0.19 2.20 0.02 0.00 0.02 0.00 0.00 55.97 58.40 1aq6 s LYS 147 Cb -0.01 -2.36 0.49 0.00 -0.52 0.00 0.00 37.83 35.43 1aq6 s LYS 147 CO 0.05 -1.02 1.82 -0.35 -0.92 0.00 0.00 175.35 174.93 1aq6 n PRO 148 N -0.78 2.11 -1.74 -1.68 -0.04 -1.26 -4.75 135.00 126.86 1aq6 n PRO 148 Ca 0.09 -2.49 -0.42 0.00 -0.04 0.00 0.00 63.50 60.63 1aq6 n PRO 148 Cb 0.45 -1.98 -0.01 0.00 -0.04 0.00 0.00 33.50 31.92 1aq6 n PRO 148 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1aq6 n HIS 149 N -0.73 2.77 -0.06 0.54 -0.00 -0.40 -4.80 115.22 112.55 1aq6 n HIS 149 Ca 0.49 0.34 0.14 0.00 0.46 0.00 0.00 57.72 59.16 1aq6 n HIS 149 Cb 1.22 -2.55 0.55 0.00 -0.12 0.00 0.00 29.99 29.09 1aq6 n HIS 149 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1aq6 h PRO 150 N 4.11 0.29 0.00 1.57 0.13 -1.93 -1.17 132.00 135.00 1aq6 h PRO 150 Ca -0.48 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 1aq6 h PRO 150 Cb 1.24 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1aq6 h PRO 150 CO 0.74 0.19 -0.27 -0.44 -0.23 0.00 0.00 178.00 178.00 1aq6 h ASP 151 N 0.30 0.00 -0.30 1.44 5.19 -1.95 -1.56 116.42 119.53 1aq6 h ASP 151 Ca 0.28 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.67 1aq6 h ASP 151 Cb 0.68 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.18 1aq6 h ASP 151 CO -0.06 0.27 0.12 0.77 -3.12 0.00 0.00 179.24 177.22 1aq6 h SER 152 N 0.00 0.41 0.95 6.45 4.64 -1.54 -2.80 113.55 121.66 1aq6 h SER 152 Ca -0.00 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.11 1aq6 h SER 152 Cb 0.52 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1aq6 h SER 152 CO 0.03 0.46 -0.25 1.88 -0.87 0.00 0.00 176.83 178.08 1aq6 h TYR 153 N 0.34 0.00 0.00 4.77 0.05 -1.49 -3.06 116.97 117.58 1aq6 h TYR 153 Ca 0.10 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1aq6 h TYR 153 Cb 0.17 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.91 1aq6 h TYR 153 CO -0.01 0.25 -0.06 0.00 -1.05 0.00 0.00 178.16 177.29 1aq6 h ALA 154 N 1.75 1.47 -0.03 3.88 0.00 -1.03 -2.67 119.26 122.64 1aq6 h ALA 154 Ca -0.00 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1aq6 h ALA 154 Cb 0.79 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1aq6 h ALA 154 CO 0.03 0.08 0.02 -0.07 0.00 0.00 0.00 179.25 179.31 1aq6 h LEU 155 N 0.00 0.00 -0.47 0.00 3.38 -1.51 -3.10 115.31 113.62 1aq6 h LEU 155 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1aq6 h LEU 155 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1aq6 h LEU 155 CO 0.01 0.00 0.30 0.58 0.09 0.00 0.00 178.44 179.42 1aq6 h VAL 156 N 0.00 1.09 -0.12 1.22 2.07 -1.69 -0.56 116.25 118.26 1aq6 h VAL 156 Ca 0.01 -0.21 -0.21 0.00 0.82 0.00 0.00 66.70 67.12 1aq6 h VAL 156 Cb 0.06 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1aq6 h VAL 156 CO -0.00 0.11 -0.76 -0.08 0.02 0.00 0.00 177.57 176.86 1aq6 h GLU 157 N 0.61 0.64 -0.67 1.57 4.81 -1.69 -0.62 114.58 119.23 1aq6 h GLU 157 Ca 0.18 -0.52 0.06 0.00 -0.13 0.00 0.00 59.36 58.94 1aq6 h GLU 157 Cb -0.04 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 1aq6 h GLU 157 CO -0.06 1.14 0.37 0.93 -0.73 0.00 0.00 179.01 180.67 1aq6 h GLU 158 N 0.43 0.67 0.14 1.92 5.08 -1.42 0.52 114.58 121.93 1aq6 h GLU 158 Ca -0.04 -0.04 -0.31 0.00 -1.00 0.00 0.00 59.36 57.97 1aq6 h GLU 158 Cb 1.36 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1aq6 h GLU 158 CO 0.15 0.45 -1.55 0.28 -1.00 0.00 0.00 179.01 177.33 1aq6 h VAL 159 N 0.70 0.99 0.00 3.13 2.07 -1.12 -3.40 116.25 118.61 1aq6 h VAL 159 Ca 0.30 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.37 1aq6 h VAL 159 Cb 0.17 2.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1aq6 h VAL 159 CO -0.17 0.77 -1.59 0.18 0.02 0.00 0.00 177.57 176.78 1aq6 n LEU 160 N -3.79 0.35 -0.63 2.57 4.77 -0.24 -4.99 117.00 115.03 1aq6 n LEU 160 Ca -0.25 0.12 -0.07 0.00 -0.03 0.00 0.00 56.01 55.78 1aq6 n LEU 160 Cb 0.97 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 42.01 1aq6 n LEU 160 CO 0.45 -0.07 -0.08 0.61 -1.33 0.00 0.00 177.39 176.98 1aq6 n GLY 161 N 1.23 0.70 3.53 -0.72 0.00 0.17 -5.02 105.19 105.09 1aq6 n GLY 161 Ca -0.02 -0.68 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 1aq6 n GLY 161 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aq6 s VAL 162 N -2.29 3.22 0.58 1.61 -7.23 -1.26 -5.06 120.40 109.96 1aq6 s VAL 162 Ca 0.00 -1.05 -0.08 0.00 -1.81 0.00 0.00 61.98 59.04 1aq6 s VAL 162 Cb 0.00 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 1aq6 s VAL 162 CO 0.00 0.31 0.92 0.42 -0.31 0.00 0.00 175.10 176.44 1aq6 s THR 163 N -1.01 4.33 0.27 5.32 -4.23 -1.26 -4.10 115.64 114.96 1aq6 s THR 163 Ca 0.17 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 1aq6 s THR 163 Cb -0.11 -3.70 0.26 0.00 1.34 0.00 0.00 72.50 70.29 1aq6 s THR 163 CO 0.08 -0.79 1.72 -0.65 -0.54 0.00 0.00 174.62 174.43 1aq6 h PRO 164 N -0.14 0.45 0.00 3.99 0.11 -1.95 -0.46 132.00 133.99 1aq6 h PRO 164 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1aq6 h PRO 164 Cb 1.22 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1aq6 h PRO 164 CO 0.62 0.30 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 1aq6 h ALA 165 N 1.63 1.00 -0.67 -0.75 0.00 -1.94 -2.14 119.26 116.38 1aq6 h ALA 165 Ca 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1aq6 h ALA 165 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1aq6 h ALA 165 CO -0.46 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.18 1aq6 n GLU 166 N -2.39 2.68 -4.86 0.00 1.02 -0.19 -4.66 120.64 112.25 1aq6 n GLU 166 Ca 0.00 -2.60 -0.33 0.00 -0.02 0.00 0.00 57.16 54.21 1aq6 n GLU 166 Cb 0.14 -1.57 -0.14 0.00 -0.02 0.00 0.00 31.44 29.85 1aq6 n GLU 166 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1aq6 s VAL 167 N -1.11 3.00 -0.36 2.62 1.01 -0.80 -0.06 120.40 124.70 1aq6 s VAL 167 Ca 0.48 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 1aq6 s VAL 167 Cb 0.25 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.46 1aq6 s VAL 167 CO 0.34 0.56 0.17 -0.22 0.00 0.00 0.00 175.10 175.94 1aq6 s LEU 168 N -0.16 4.60 -0.02 3.92 2.96 -0.23 -2.17 118.68 127.59 1aq6 s LEU 168 Ca -0.01 -1.17 -0.20 0.00 -0.22 0.00 0.00 54.13 52.53 1aq6 s LEU 168 Cb -0.13 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 1aq6 s LEU 168 CO 0.03 -0.38 0.59 0.12 -1.32 0.00 0.00 176.35 175.38 1aq6 s PHE 169 N 1.45 3.66 -0.18 5.38 2.19 0.30 -1.27 117.98 129.51 1aq6 s PHE 169 Ca 0.00 1.17 -0.00 0.00 0.33 0.00 0.00 56.93 58.43 1aq6 s PHE 169 Cb -0.20 -2.61 0.01 0.00 -1.31 0.00 0.00 43.02 38.91 1aq6 s PHE 169 CO 0.04 0.33 -0.15 0.08 1.83 0.00 0.00 175.22 177.35 1aq6 s VAL 170 N -0.09 2.55 0.01 3.12 1.01 0.12 -0.85 120.40 126.28 1aq6 s VAL 170 Ca 0.31 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.38 1aq6 s VAL 170 Cb -0.18 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.12 1aq6 s VAL 170 CO 0.17 0.50 0.25 -0.55 0.00 0.00 0.00 175.10 175.47 1aq6 s SER 171 N 1.20 -0.09 0.00 3.32 0.15 -1.08 -0.88 113.70 116.32 1aq6 s SER 171 Ca 0.02 -0.12 0.22 0.00 0.70 0.00 0.00 55.95 56.78 1aq6 s SER 171 Cb -0.14 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.44 1aq6 s SER 171 CO -0.07 -0.49 1.08 -1.54 1.20 0.00 0.00 173.24 173.42 1aq6 n SER 172 N 1.04 1.97 -4.52 5.45 3.41 -1.26 -1.54 113.62 118.16 1aq6 n SER 172 Ca -0.21 -1.49 -0.41 0.00 -0.26 0.00 0.00 58.87 56.51 1aq6 n SER 172 Cb 0.57 0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 64.94 1aq6 n SER 172 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1aq6 s ASN 173 N -2.51 6.13 0.26 4.04 0.01 -1.26 -4.82 114.94 116.78 1aq6 s ASN 173 Ca 0.18 -0.42 -0.02 0.00 -0.71 0.00 0.00 52.86 51.89 1aq6 s ASN 173 Cb 0.18 -2.17 0.56 0.00 0.41 0.00 0.00 41.25 40.23 1aq6 s ASN 173 CO 0.59 -0.33 1.69 1.23 -1.51 0.00 0.00 177.10 178.77 1aq6 h GLY 174 N 8.67 1.22 1.67 0.66 0.00 -1.81 0.71 103.07 114.18 1aq6 h GLY 174 Ca -0.30 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 46.91 1aq6 h GLY 174 CO 0.68 -0.22 0.01 0.27 0.00 0.00 0.00 176.54 177.28 1aq6 h PHE 175 N 0.32 0.43 0.16 5.60 -0.00 -1.94 -1.32 116.94 120.19 1aq6 h PHE 175 Ca 0.47 -0.03 -0.30 0.00 -0.00 0.00 0.00 57.97 58.11 1aq6 h PHE 175 Cb 0.84 -0.13 0.03 0.00 -0.00 0.00 0.00 35.95 36.69 1aq6 h PHE 175 CO -0.22 0.43 -1.30 0.22 -0.00 0.00 0.00 178.31 177.44 1aq6 h ASP 176 N 0.41 0.76 -0.53 -0.68 3.58 -1.64 -1.43 116.42 116.89 1aq6 h ASP 176 Ca 0.09 -0.75 0.08 0.00 0.42 0.00 0.00 57.03 56.87 1aq6 h ASP 176 Cb 0.26 -0.24 -0.06 0.00 1.72 0.00 0.00 39.33 41.01 1aq6 h ASP 176 CO 0.01 1.57 0.18 0.58 -2.88 0.00 0.00 179.24 178.69 1aq6 h VAL 177 N 0.19 0.80 -0.47 2.25 2.07 -0.69 -0.54 116.25 119.85 1aq6 h VAL 177 Ca -0.19 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 1aq6 h VAL 177 Cb 1.99 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1aq6 h VAL 177 CO 0.24 0.06 -0.03 1.23 0.02 0.00 0.00 177.57 179.10 1aq6 h GLY 178 N 0.35 0.93 0.90 2.17 0.00 -1.13 -1.88 103.07 104.40 1aq6 h GLY 178 Ca 0.26 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1aq6 h GLY 178 CO -0.27 0.64 -0.08 -1.33 0.00 0.00 0.00 176.54 175.50 1aq6 h GLY 179 N 0.71 -0.17 1.05 4.60 0.00 -0.95 0.53 103.07 108.83 1aq6 h GLY 179 Ca 0.13 0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1aq6 h GLY 179 CO 0.03 -0.09 0.47 0.00 0.00 0.00 0.00 176.54 176.95 1aq6 h ALA 180 N 0.71 1.17 -0.30 3.60 0.00 -1.12 -1.46 119.26 121.85 1aq6 h ALA 180 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1aq6 h ALA 180 Cb 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1aq6 h ALA 180 CO -0.02 0.66 -0.16 0.87 0.00 0.00 0.00 179.25 180.60 1aq6 h LYS 181 N 1.24 0.64 -0.90 0.00 1.79 -1.09 -1.89 116.57 116.36 1aq6 h LYS 181 Ca 0.31 -0.29 0.09 0.00 -2.18 0.00 0.00 60.65 58.58 1aq6 h LYS 181 Cb 0.05 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.61 1aq6 h LYS 181 CO -0.05 0.87 0.54 -0.97 -1.08 0.00 0.00 179.45 178.77 1aq6 h ASN 182 N 0.40 0.81 0.60 0.86 -1.24 -0.78 -1.98 115.58 114.26 1aq6 h ASN 182 Ca 0.07 0.04 -0.07 0.00 0.71 0.00 0.00 56.30 57.05 1aq6 h ASN 182 Cb 0.69 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 1aq6 h ASN 182 CO 0.05 0.48 -0.31 0.15 -1.29 0.00 0.00 177.43 176.50 1aq6 h PHE 183 N 0.93 0.00 0.00 0.67 3.57 -1.10 -3.47 116.94 117.53 1aq6 h PHE 183 Ca 0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.92 1aq6 h PHE 183 Cb 0.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1aq6 h PHE 183 CO -0.03 0.31 0.00 0.41 -2.23 0.00 0.00 178.31 176.77 1aq6 n GLY 184 N -0.18 1.27 3.87 2.40 0.00 -0.74 -5.02 105.19 106.78 1aq6 n GLY 184 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1aq6 n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aq6 s PHE 185 N -2.00 3.32 0.10 1.61 0.08 -0.74 -4.22 117.98 116.13 1aq6 s PHE 185 Ca 0.00 1.15 -0.21 0.00 0.12 0.00 0.00 56.93 57.99 1aq6 s PHE 185 Cb 0.00 -2.98 -0.07 0.00 -0.57 0.00 0.00 43.02 39.40 1aq6 s PHE 185 CO 0.00 -1.14 0.62 -1.12 -0.10 0.00 0.00 175.22 173.48 1aq6 s SER 186 N -4.22 7.14 -0.05 1.36 0.01 -0.92 -4.54 113.70 112.48 1aq6 s SER 186 Ca 0.58 1.35 0.04 0.00 1.31 0.00 0.00 55.95 59.23 1aq6 s SER 186 Cb -0.12 -2.39 -0.00 0.00 0.21 0.00 0.00 66.02 63.72 1aq6 s SER 186 CO 0.53 0.25 -0.17 -0.69 0.41 0.00 0.00 173.24 173.56 1aq6 s VAL 187 N -1.14 1.47 -0.27 3.43 1.01 -1.26 -0.54 120.40 123.08 1aq6 s VAL 187 Ca 0.31 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1aq6 s VAL 187 Cb -0.20 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 34.94 1aq6 s VAL 187 CO 0.21 0.42 0.00 0.00 0.00 0.00 0.00 175.10 175.73 1aq6 s ALA 188 N 0.07 2.86 0.13 5.51 0.00 -0.02 -0.93 121.76 129.36 1aq6 s ALA 188 Ca -0.05 -1.49 -0.24 0.00 0.00 0.00 0.00 51.96 50.18 1aq6 s ALA 188 Cb -0.12 -1.90 -0.07 0.00 0.00 0.00 0.00 23.12 21.03 1aq6 s ALA 188 CO 0.03 -0.91 0.72 0.50 0.00 0.00 0.00 175.76 176.10 1aq6 s ARG 189 N 1.39 4.47 -0.43 0.00 3.52 -0.04 -2.64 118.95 125.21 1aq6 s ARG 189 Ca 0.01 1.04 -0.15 0.00 -0.13 0.00 0.00 55.73 56.49 1aq6 s ARG 189 Cb -0.17 -3.27 0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1aq6 s ARG 189 CO -0.01 0.55 0.35 0.08 -0.81 0.00 0.00 175.30 175.45 1aq6 s VAL 190 N -0.98 5.23 -0.62 7.11 1.01 -0.59 -1.06 120.40 130.50 1aq6 s VAL 190 Ca 0.34 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.46 1aq6 s VAL 190 Cb -0.22 -4.01 0.16 0.00 0.00 0.00 0.00 36.38 32.31 1aq6 s VAL 190 CO 0.24 -0.41 0.53 0.00 0.00 0.00 0.00 175.10 175.45 1aq6 s ALA 191 N 1.74 3.69 -1.38 5.51 0.00 0.14 -4.32 121.76 127.13 1aq6 s ALA 191 Ca 0.06 -2.87 0.27 0.00 0.00 0.00 0.00 51.96 49.42 1aq6 s ALA 191 Cb -0.20 -3.13 0.98 0.00 0.00 0.00 0.00 23.12 20.77 1aq6 s ALA 191 CO 0.09 -2.07 1.72 0.54 0.00 0.00 0.00 175.76 176.04 1aq6 n ARG 192 N 4.52 0.41 -4.02 0.00 1.74 -1.26 -4.40 116.66 113.64 1aq6 n ARG 192 Ca -0.01 -0.17 -0.32 0.00 -0.77 0.00 0.00 57.85 56.59 1aq6 n ARG 192 Cb 0.42 -1.50 -0.15 0.00 -1.02 0.00 0.00 32.46 30.22 1aq6 n ARG 192 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1aq6 s LEU 193 N -2.71 4.26 0.20 0.55 2.96 -1.26 -5.09 118.68 117.59 1aq6 s LEU 193 Ca 0.21 -1.83 -0.33 0.00 -0.22 0.00 0.00 54.13 51.97 1aq6 s LEU 193 Cb 0.19 -1.62 -0.14 0.00 0.50 0.00 0.00 46.19 45.13 1aq6 s LEU 193 CO 0.55 -0.31 1.47 -1.20 -1.32 0.00 0.00 176.35 175.53 1aq6 n SER 194 N 4.36 2.79 -0.35 3.68 7.64 -1.26 -4.86 113.62 125.63 1aq6 n SER 194 Ca -0.04 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1aq6 n SER 194 Cb 0.42 -1.41 0.14 0.00 -1.01 0.00 0.00 64.21 62.35 1aq6 n SER 194 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1aq6 h GLN 195 N 4.92 1.12 -0.43 1.43 4.20 -1.98 -1.90 115.11 122.47 1aq6 h GLN 195 Ca -0.45 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.15 1aq6 h GLN 195 Cb 1.27 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 1aq6 h GLN 195 CO 0.81 0.74 0.08 1.05 -0.67 0.00 0.00 178.83 180.84 1aq6 h GLU 196 N 1.15 0.65 -0.36 1.46 9.09 -2.00 -1.29 114.58 123.28 1aq6 h GLU 196 Ca 0.39 -0.13 -0.10 0.00 0.05 0.00 0.00 59.36 59.57 1aq6 h GLU 196 Cb 0.06 -0.10 -0.01 0.00 -1.65 0.00 0.00 28.75 27.05 1aq6 h GLU 196 CO -0.14 0.61 -0.15 0.00 0.05 0.00 0.00 179.01 179.38 1aq6 h ALA 197 N 1.46 0.50 -0.38 1.06 0.00 -1.72 -2.63 119.26 117.54 1aq6 h ALA 197 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1aq6 h ALA 197 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1aq6 h ALA 197 CO 0.00 0.41 0.20 1.25 0.00 0.00 0.00 179.25 181.11 1aq6 h LEU 198 N 0.52 0.48 -0.91 0.00 5.85 -1.24 0.06 115.31 120.07 1aq6 h LEU 198 Ca 0.08 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.78 1aq6 h LEU 198 Cb 0.69 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 1aq6 h LEU 198 CO 0.05 0.45 0.56 0.00 -0.34 0.00 0.00 178.44 179.16 1aq6 h ALA 199 N 1.06 1.29 0.03 1.25 0.00 -1.17 -1.09 119.26 120.63 1aq6 h ALA 199 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.82 1aq6 h ALA 199 Cb 0.07 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1aq6 h ALA 199 CO -0.02 0.26 -0.98 0.00 0.00 0.00 0.00 179.25 178.51 1aq6 h ARG 200 N 0.98 0.32 -0.80 0.00 3.08 -1.23 -2.96 114.38 113.77 1aq6 h ARG 200 Ca 0.42 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1aq6 h ARG 200 Cb 0.28 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1aq6 h ARG 200 CO -0.21 1.09 0.52 1.49 -1.07 0.00 0.00 179.97 181.79 1aq6 h GLU 201 N 0.17 1.06 0.00 0.04 4.81 -0.57 -1.67 114.58 118.43 1aq6 h GLU 201 Ca -0.08 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.03 1aq6 h GLU 201 Cb 1.63 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1aq6 h GLU 201 CO 0.16 0.72 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.86 1aq6 h LEU 202 N 1.09 0.00 -0.56 1.64 3.38 -1.23 -2.71 115.31 116.92 1aq6 h LEU 202 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1aq6 h LEU 202 Cb -0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1aq6 h LEU 202 CO -0.06 0.23 -0.44 0.55 0.09 0.00 0.00 178.44 178.80 1aq6 n VAL 203 N -3.41 0.00 -2.81 1.22 3.14 -0.91 -4.83 118.33 110.73 1aq6 n VAL 203 Ca -0.00 -0.15 -0.43 0.00 -2.96 0.00 0.00 64.34 60.81 1aq6 n VAL 203 Cb 0.42 0.75 -0.04 0.00 -1.06 0.00 0.00 33.84 33.92 1aq6 n VAL 203 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1aq6 s SER 204 N -2.60 6.40 0.00 6.55 1.04 -0.68 -4.98 113.70 119.44 1aq6 s SER 204 Ca 0.19 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1aq6 s SER 204 Cb 0.18 -2.45 0.00 0.00 0.10 0.00 0.00 66.02 63.85 1aq6 s SER 204 CO 0.60 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1aq6 n GLY 205 N 5.05 0.86 3.78 7.32 0.00 -1.26 -4.48 105.19 116.46 1aq6 n GLY 205 Ca 0.04 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1aq6 n GLY 205 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aq6 s THR 206 N 0.00 2.26 -0.33 2.61 -4.23 -1.26 -4.96 115.64 109.74 1aq6 s THR 206 Ca 0.00 0.27 -0.23 0.00 -1.18 0.00 0.00 61.69 60.55 1aq6 s THR 206 Cb 0.00 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1aq6 s THR 206 CO 0.00 0.06 0.78 -0.63 -0.54 0.00 0.00 174.62 174.29 1aq6 s ILE 207 N -1.13 4.78 0.61 2.99 1.01 -1.26 -5.04 121.20 123.17 1aq6 s ILE 207 Ca 0.51 1.06 -0.16 0.00 0.00 0.00 0.00 60.65 62.07 1aq6 s ILE 207 Cb -0.44 -4.16 -0.02 0.00 0.01 0.00 0.00 42.46 37.85 1aq6 s ILE 207 CO 0.60 -0.30 1.08 0.00 0.00 0.00 0.00 174.94 176.32 1aq6 s ALA 208 N 2.98 2.64 0.24 9.38 0.00 -1.26 -4.92 121.76 130.81 1aq6 s ALA 208 Ca 0.32 0.48 -0.05 0.00 0.00 0.00 0.00 51.96 52.70 1aq6 s ALA 208 Cb -0.14 -3.27 0.38 0.00 0.00 0.00 0.00 23.12 20.09 1aq6 s ALA 208 CO 0.14 -0.98 1.80 -1.00 0.00 0.00 0.00 175.76 175.72 1aq6 h PRO 209 N 0.34 0.71 -0.15 0.00 0.13 -2.01 -1.55 132.00 129.47 1aq6 h PRO 209 Ca -0.47 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1aq6 h PRO 209 Cb 1.23 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1aq6 h PRO 209 CO 0.56 0.47 0.08 1.25 -0.23 0.00 0.00 178.00 180.13 1aq6 h LEU 210 N 0.73 0.17 -0.76 1.56 5.85 -1.95 -0.40 115.31 120.51 1aq6 h LEU 210 Ca 0.38 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.98 1aq6 h LEU 210 Cb 0.37 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1aq6 h LEU 210 CO -0.25 0.14 -0.30 0.74 -0.34 0.00 0.00 178.44 178.42 1aq6 h THR 211 N 0.20 1.28 -0.31 1.05 2.02 -1.66 -2.48 112.91 113.00 1aq6 h THR 211 Ca 0.05 -1.41 -0.01 0.00 0.77 0.00 0.00 66.41 65.81 1aq6 h THR 211 Cb 0.01 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1aq6 h THR 211 CO -0.01 0.45 0.15 0.24 0.37 0.00 0.00 175.52 176.72 1aq6 h MET 212 N 0.51 0.45 -0.58 6.66 2.86 -0.86 0.01 114.93 123.99 1aq6 h MET 212 Ca 0.06 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1aq6 h MET 212 Cb 0.78 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 1aq6 h MET 212 CO 0.06 0.42 0.10 0.74 1.06 0.00 0.00 176.91 179.30 1aq6 h PHE 213 N 0.37 0.97 -0.45 -0.22 0.04 -1.46 -1.14 116.94 115.04 1aq6 h PHE 213 Ca 0.11 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1aq6 h PHE 213 Cb 0.12 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1aq6 h PHE 213 CO -0.02 0.82 0.24 0.87 -0.60 0.00 0.00 178.31 179.63 1aq6 h LYS 214 N 0.87 0.63 -0.24 1.51 1.57 -1.26 -0.64 116.57 119.02 1aq6 h LYS 214 Ca 0.18 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1aq6 h LYS 214 Cb 0.38 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1aq6 h LYS 214 CO 0.01 0.51 -0.02 0.00 -0.57 0.00 0.00 179.45 179.37 1aq6 h ALA 215 N 1.09 1.53 0.00 3.86 0.00 -0.63 -1.27 119.26 123.84 1aq6 h ALA 215 Ca 0.16 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1aq6 h ALA 215 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1aq6 h ALA 215 CO -0.02 0.34 -0.99 -0.07 0.00 0.00 0.00 179.25 178.51 1aq6 h LEU 216 N 0.35 0.00 0.00 0.00 3.38 -0.91 -3.43 115.31 114.70 1aq6 h LEU 216 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1aq6 h LEU 216 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1aq6 h LEU 216 CO 0.01 0.76 -0.08 0.54 0.09 0.00 0.00 178.44 179.76 1aq6 n ARG 217 N -3.19 5.53 -0.54 1.13 5.12 -0.27 -4.86 116.66 119.58 1aq6 n ARG 217 Ca -0.03 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 55.97 1aq6 n ARG 217 Cb 0.87 -0.48 0.31 0.00 -1.16 0.00 0.00 32.46 32.00 1aq6 n ARG 217 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1aq6 n MET 218 N -0.90 3.56 -4.58 5.56 2.81 -0.50 -4.59 117.12 118.47 1aq6 n MET 218 Ca 0.00 -2.78 -0.29 0.00 -1.81 0.00 0.00 57.70 52.82 1aq6 n MET 218 Cb 0.00 -1.82 -0.09 0.00 -0.71 0.00 0.00 33.22 30.60 1aq6 n MET 218 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1aq6 s ARG 219 N -2.01 2.09 0.25 0.03 1.81 -1.26 -4.72 118.95 115.14 1aq6 s ARG 219 Ca 0.45 -2.18 -0.30 0.00 -1.72 0.00 0.00 55.73 51.99 1aq6 s ARG 219 Cb 0.31 -1.66 -0.09 0.00 -0.45 0.00 0.00 34.95 33.05 1aq6 s ARG 219 CO 0.19 -0.20 1.22 -1.21 -0.68 0.00 0.00 175.30 174.63 1aq6 s GLU 220 N -3.82 4.48 0.10 3.54 2.02 -1.26 -4.08 118.70 119.68 1aq6 s GLU 220 Ca 0.25 1.98 -0.25 0.00 0.02 0.00 0.00 54.97 56.97 1aq6 s GLU 220 Cb 0.06 -3.17 -0.07 0.00 0.10 0.00 0.00 34.13 31.05 1aq6 s GLU 220 CO 0.13 -0.06 0.78 -1.21 0.02 0.00 0.00 175.26 174.92 1aq6 s GLU 221 N -0.96 4.53 0.46 1.61 0.41 -1.26 -4.98 118.70 118.50 1aq6 s GLU 221 Ca 0.50 1.12 0.17 0.00 -0.41 0.00 0.00 54.97 56.35 1aq6 s GLU 221 Cb -0.35 -3.32 1.08 0.00 -1.78 0.00 0.00 34.13 29.76 1aq6 s GLU 221 CO 0.42 0.40 2.00 1.15 -0.49 0.00 0.00 175.26 178.75 1aq6 h THR 222 N 3.78 1.02 0.00 3.63 2.02 -1.98 -2.30 112.91 119.08 1aq6 h THR 222 Ca -0.45 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.08 1aq6 h THR 222 Cb 1.21 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1aq6 h THR 222 CO 0.69 0.18 0.00 0.00 0.37 0.00 0.00 175.52 176.76 1aq6 n TYR 223 N -4.17 0.72 -3.14 3.16 0.18 -1.26 -4.90 117.16 107.74 1aq6 n TYR 223 Ca -0.02 0.22 -0.32 0.00 1.88 0.00 0.00 57.90 59.66 1aq6 n TYR 223 Cb 0.25 -0.86 -0.05 0.00 -0.38 0.00 0.00 39.34 38.30 1aq6 n TYR 223 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1aq6 s ALA 224 N -3.11 3.39 0.41 -3.48 0.00 -0.87 -5.05 121.76 113.06 1aq6 s ALA 224 Ca 0.10 -0.10 -0.25 0.00 0.00 0.00 0.00 51.96 51.71 1aq6 s ALA 224 Cb 0.13 -2.67 -0.08 0.00 0.00 0.00 0.00 23.12 20.50 1aq6 s ALA 224 CO 0.55 0.29 1.26 -1.21 0.00 0.00 0.00 175.76 176.65 1aq6 s GLU 225 N -3.16 3.94 0.45 0.00 2.02 -1.26 -4.93 118.70 115.75 1aq6 s GLU 225 Ca 0.52 2.06 -0.24 0.00 0.02 0.00 0.00 54.97 57.33 1aq6 s GLU 225 Cb -0.10 -2.69 -0.08 0.00 0.10 0.00 0.00 34.13 31.36 1aq6 s GLU 225 CO 0.22 -0.49 1.21 0.00 0.02 0.00 0.00 175.26 176.22 1aq6 s ALA 226 N -1.32 3.04 0.83 5.21 0.00 -1.26 -4.59 121.76 123.66 1aq6 s ALA 226 Ca 0.58 1.03 -0.10 0.00 0.00 0.00 0.00 51.96 53.46 1aq6 s ALA 226 Cb -0.36 -3.42 0.09 0.00 0.00 0.00 0.00 23.12 19.44 1aq6 s ALA 226 CO 0.45 -0.73 1.11 -1.25 0.00 0.00 0.00 175.76 175.34 1aq6 s PRO 227 N -2.57 1.80 0.15 0.00 0.04 -1.26 -4.95 135.00 128.21 1aq6 s PRO 227 Ca 0.62 1.29 -0.08 0.00 0.04 0.00 0.00 61.00 62.87 1aq6 s PRO 227 Cb -0.32 -1.84 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 1aq6 s PRO 227 CO 0.39 -2.00 1.45 -0.44 0.04 0.00 0.00 177.00 176.43 1aq6 h ASP 228 N -1.40 0.85 -4.62 6.66 5.19 -1.42 -3.46 116.42 118.23 1aq6 h ASP 228 Ca -0.44 -0.45 -0.30 0.00 -0.62 0.00 0.00 57.03 55.22 1aq6 h ASP 228 Cb 1.25 -0.24 -0.20 0.00 0.18 0.00 0.00 39.33 40.31 1aq6 h ASP 228 CO 0.48 1.22 -0.74 -0.36 -3.12 0.00 0.00 179.24 176.72 1aq6 s PHE 229 N -4.10 0.87 -0.07 4.55 0.08 -0.87 -5.02 117.98 113.42 1aq6 s PHE 229 Ca -0.09 -0.57 0.00 0.00 0.12 0.00 0.00 56.93 56.38 1aq6 s PHE 229 Cb 0.11 -0.50 0.02 0.00 -0.57 0.00 0.00 43.02 42.08 1aq6 s PHE 229 CO 0.87 -0.05 -0.05 0.08 -0.10 0.00 0.00 175.22 175.97 1aq6 s VAL 230 N -1.84 0.72 0.12 -0.44 1.01 -1.26 -0.86 120.40 117.86 1aq6 s VAL 230 Ca -0.03 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 61.87 1aq6 s VAL 230 Cb -0.07 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 1aq6 s VAL 230 CO 0.00 0.29 -0.18 0.68 0.00 0.00 0.00 175.10 175.90 1aq6 s VAL 231 N 1.40 1.61 -0.51 2.92 -7.23 -0.22 -4.96 120.40 113.41 1aq6 s VAL 231 Ca -0.03 -1.69 0.24 0.00 -1.81 0.00 0.00 61.98 58.70 1aq6 s VAL 231 Cb -0.13 -1.60 0.32 0.00 0.56 0.00 0.00 36.38 35.52 1aq6 s VAL 231 CO -0.03 -0.24 1.64 1.55 -0.31 0.00 0.00 175.10 177.70 1aq6 h PRO 232 N 3.69 0.00 -3.41 4.82 0.13 -1.86 0.42 132.00 135.80 1aq6 h PRO 232 Ca -0.43 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.65 1aq6 h PRO 232 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1aq6 h PRO 232 CO 0.46 0.00 -0.06 0.00 -0.23 0.00 0.00 178.00 178.17 1aq6 s ALA 233 N -3.19 -0.85 0.39 -0.56 0.00 -1.26 -4.34 121.76 111.95 1aq6 s ALA 233 Ca 0.08 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.93 1aq6 s ALA 233 Cb 0.07 0.76 0.80 0.00 0.00 0.00 0.00 23.12 24.75 1aq6 s ALA 233 CO 0.66 -0.70 2.02 -0.07 0.00 0.00 0.00 175.76 177.67 1aq6 h LEU 234 N 2.33 0.49 -2.74 0.00 3.38 -1.91 -2.69 115.31 114.16 1aq6 h LEU 234 Ca -0.32 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1aq6 h LEU 234 Cb 1.26 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 1aq6 h LEU 234 CO 0.44 0.39 0.01 1.23 0.09 0.00 0.00 178.44 180.60 1aq6 h GLY 235 N 0.63 0.00 1.83 0.83 0.00 -1.97 -2.18 103.07 102.21 1aq6 h GLY 235 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1aq6 h GLY 235 CO -0.02 0.00 -0.09 1.22 0.00 0.00 0.00 176.54 177.65 1aq6 n ASP 236 N -3.42 0.09 0.03 0.19 8.00 -1.02 -4.29 116.55 116.14 1aq6 n ASP 236 Ca -0.03 0.37 -0.12 0.00 0.71 0.00 0.00 54.79 55.72 1aq6 n ASP 236 Cb 0.09 -0.38 -0.07 0.00 -0.02 0.00 0.00 41.12 40.74 1aq6 n ASP 236 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1aq6 h LEU 237 N 0.00 0.01 -0.46 0.64 3.38 -1.56 -1.44 115.31 115.88 1aq6 h LEU 237 Ca 0.00 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 57.97 1aq6 h LEU 237 Cb 0.50 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.16 1aq6 h LEU 237 CO 0.00 0.10 -0.12 -0.65 0.09 0.00 0.00 178.44 177.86 1aq6 h PRO 238 N -0.08 -0.01 -0.60 1.13 0.11 -1.80 0.10 132.00 130.86 1aq6 h PRO 238 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 1aq6 h PRO 238 Cb 0.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 1aq6 h PRO 238 CO -0.00 -0.01 0.03 -0.09 -0.21 0.00 0.00 178.00 177.72 1aq6 h ARG 239 N -0.01 1.03 -0.43 1.05 2.43 -1.82 -2.63 114.38 114.00 1aq6 h ARG 239 Ca 0.22 -0.30 0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1aq6 h ARG 239 Cb 0.34 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 1aq6 h ARG 239 CO -0.47 0.99 0.22 1.25 -1.51 0.00 0.00 179.97 180.44 1aq6 h LEU 240 N 0.95 0.31 -0.75 3.80 5.85 -0.05 -2.75 115.31 122.68 1aq6 h LEU 240 Ca 0.18 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.93 1aq6 h LEU 240 Cb 0.51 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1aq6 h LEU 240 CO 0.02 0.22 0.49 0.58 -0.34 0.00 0.00 178.44 179.42 1aq6 h VAL 241 N 0.43 1.19 -1.91 1.05 2.07 -0.56 0.13 116.25 118.66 1aq6 h VAL 241 Ca 0.19 -0.35 -0.71 0.00 0.82 0.00 0.00 66.70 66.65 1aq6 h VAL 241 Cb 0.10 0.09 -0.15 0.00 -1.52 0.00 0.00 31.29 29.80 1aq6 h VAL 241 CO -0.13 0.19 1.43 0.00 0.02 0.00 0.00 177.57 179.07 1aq6 s ARG 242 N -6.14 3.96 0.00 1.57 3.03 -1.02 -2.73 118.95 117.62 1aq6 s ARG 242 Ca -0.13 -2.24 0.00 0.00 2.03 0.00 0.00 55.73 55.39 1aq6 s ARG 242 Cb 0.15 -5.14 0.00 0.00 -1.03 0.00 0.00 34.95 28.93 1aq6 s ARG 242 CO 0.78 -1.89 0.00 0.41 -1.13 0.00 0.00 175.30 173.47 1aq6 n GLY 243 N 4.76 -0.32 0.00 3.88 0.00 -1.22 -4.87 105.19 107.41 1aq6 n GLY 243 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1aq6 n GLY 243 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1aq6 n MET 244 N 0.00 -1.06 0.00 1.61 0.00 0.46 -5.01 117.12 113.11 1aq6 n MET 244 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1aq6 n MET 244 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1aq6 n MET 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97