#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbb n ARG 2 N 0.00 0.80 0.00 0.00 5.12 -1.26 -4.95 116.66 116.37 2qbb n ARG 2 Ca 0.00 -1.41 0.00 0.00 -1.93 0.00 0.00 57.85 54.51 2qbb n ARG 2 Cb 0.00 0.23 0.00 0.00 -1.16 0.00 0.00 32.46 31.53 2qbb n ARG 2 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2qbb n TYR 3 N -0.74 0.00 -2.66 -1.55 9.36 -1.26 -4.82 117.16 115.49 2qbb n TYR 3 Ca -0.18 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 60.98 2qbb n TYR 3 Cb 0.83 0.00 0.01 0.00 -0.63 0.00 0.00 39.34 39.54 2qbb n TYR 3 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2qbb n LEU 4 N 0.00 -7.15 0.00 2.98 4.77 -1.26 -5.05 117.00 111.29 2qbb n LEU 4 Ca 0.00 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2qbb n LEU 4 Cb 0.00 -3.08 0.00 0.00 -2.33 0.00 0.00 43.42 38.01 2qbb n LEU 4 CO 0.00 -2.07 0.00 0.61 -1.33 0.00 0.00 177.39 174.60 2qbb n GLY 5 N -0.29 1.72 3.57 -0.72 0.00 -1.26 -5.07 105.19 103.14 2qbb n GLY 5 Ca 0.10 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 2qbb n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qbb s PRO 6 N -0.21 1.86 0.25 1.61 0.04 -1.26 -4.76 135.00 132.53 2qbb s PRO 6 Ca 0.00 -0.39 0.10 0.00 0.04 0.00 0.00 61.00 60.75 2qbb s PRO 6 Cb 0.00 -5.02 0.53 0.00 0.04 0.00 0.00 34.50 30.05 2qbb s PRO 6 CO 0.00 -4.50 1.17 1.63 0.04 0.00 0.00 177.00 175.34 2qbb n LYS 7 N 8.47 0.07 0.05 4.56 5.02 -1.26 -0.45 118.16 134.61 2qbb n LYS 7 Ca 0.43 0.50 -0.10 0.00 -2.02 0.00 0.00 58.31 57.12 2qbb n LYS 7 Cb 0.46 -2.02 0.02 0.00 -0.02 0.00 0.00 35.03 33.47 2qbb n LYS 7 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qbb h LEU 8 N 0.00 0.50 -0.07 -0.35 -0.00 -1.94 -3.27 115.31 110.18 2qbb h LEU 8 Ca 0.00 -0.34 0.04 0.00 -0.00 0.00 0.00 57.88 57.58 2qbb h LEU 8 Cb 0.60 -0.15 -0.06 0.00 -0.00 0.00 0.00 40.66 41.05 2qbb h LEU 8 CO 0.00 1.08 -0.38 0.11 -0.00 0.00 0.00 178.44 179.26 2qbb h LYS 9 N 0.28 -0.47 -0.20 1.13 1.57 -1.16 0.26 116.57 117.98 2qbb h LYS 9 Ca -0.04 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2qbb h LYS 9 Cb 1.33 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.68 2qbb h LYS 9 CO 0.13 -0.32 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.27 2qbb h LEU 10 N -0.49 -1.11 -2.18 2.94 3.38 -1.71 0.52 115.31 116.66 2qbb h LEU 10 Ca 0.07 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 2qbb h LEU 10 Cb 0.60 0.48 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 2qbb h LEU 10 CO -0.34 -0.37 -0.04 0.28 0.09 0.00 0.00 178.44 178.07 2qbb h SER 11 N -0.39 0.00 0.05 -0.43 0.02 -1.51 0.12 113.55 111.42 2qbb h SER 11 Ca 0.11 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 2qbb h SER 11 Cb 0.57 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.12 2qbb h SER 11 CO -0.41 0.04 -0.41 0.03 -1.14 0.00 0.00 176.83 174.94 2qbb h ARG 12 N 0.00 0.18 0.32 3.45 3.08 0.19 -2.96 114.38 118.65 2qbb h ARG 12 Ca -0.00 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 2qbb h ARG 12 Cb 0.08 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2qbb h ARG 12 CO 0.00 1.08 -0.16 -0.09 -1.07 0.00 0.00 179.97 179.74 2qbb h ARG 13 N -0.58 -0.42 -0.49 0.04 9.65 0.25 -3.00 114.38 119.84 2qbb h ARG 13 Ca -0.07 0.03 0.14 0.00 -1.10 0.00 0.00 59.98 58.98 2qbb h ARG 13 Cb 1.26 0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 29.92 2qbb h ARG 13 CO 0.08 -0.11 0.38 0.93 2.80 0.00 0.00 179.97 184.05 2qbb h GLU 14 N -0.75 0.00 0.00 0.20 4.39 -0.93 -3.46 114.58 114.03 2qbb h GLU 14 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2qbb h GLU 14 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2qbb h GLU 14 CO 0.07 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.33 2qbb n GLY 15 N -1.59 3.08 3.97 -3.84 0.00 -1.12 -5.03 105.19 100.65 2qbb n GLY 15 Ca 0.09 -0.83 -0.21 0.00 0.00 0.00 0.00 46.02 45.07 2qbb n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qbb s THR 16 N 0.00 4.53 -0.52 2.61 2.01 -1.23 -4.79 115.64 118.24 2qbb s THR 16 Ca 0.00 -0.83 -0.24 0.00 0.31 0.00 0.00 61.69 60.93 2qbb s THR 16 Cb 0.00 -3.61 0.04 0.00 0.01 0.00 0.00 72.50 68.94 2qbb s THR 16 CO 0.00 -0.29 0.92 -0.62 -0.69 0.00 0.00 174.62 173.94 2qbb s ASP 17 N -4.11 6.38 0.00 3.53 2.15 -1.26 -4.45 116.67 118.91 2qbb s ASP 17 Ca 0.42 -0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.17 2qbb s ASP 17 Cb -0.09 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2qbb s ASP 17 CO 0.32 -1.16 0.51 0.18 -0.17 0.00 0.00 175.17 174.85 2qbb n LEU 18 N 7.32 0.36 -2.48 -1.34 7.99 -1.26 -4.78 117.00 122.81 2qbb n LEU 18 Ca 0.03 -0.18 -0.18 0.00 -0.01 0.00 0.00 56.01 55.67 2qbb n LEU 18 Cb 0.48 -0.18 0.03 0.00 -0.11 0.00 0.00 43.42 43.64 2qbb n LEU 18 CO 0.63 0.09 -0.01 0.49 -1.51 0.00 0.00 177.39 177.08 2qbb n PHE 19 N -0.16 -1.57 0.80 -1.77 3.72 -1.26 -4.85 117.46 112.37 2qbb n PHE 19 Ca 0.00 0.41 0.13 0.00 -0.05 0.00 0.00 57.45 57.94 2qbb n PHE 19 Cb 0.09 -3.86 0.51 0.00 -0.94 0.00 0.00 39.48 35.28 2qbb n PHE 19 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2qbb n LEU 20 N -3.30 0.40 -2.71 4.37 4.77 -1.26 -3.47 117.00 115.80 2qbb n LEU 20 Ca -0.10 0.54 -0.19 0.00 -0.03 0.00 0.00 56.01 56.23 2qbb n LEU 20 Cb 0.60 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 2qbb n LEU 20 CO 0.38 -0.10 0.00 1.17 -1.33 0.00 0.00 177.39 177.51 2qbb n LYS 21 N -1.87 2.14 0.00 3.23 3.00 -1.26 -4.92 118.16 118.48 2qbb n LYS 21 Ca 0.06 -3.89 0.00 0.00 -0.00 0.00 0.00 58.31 54.48 2qbb n LYS 21 Cb 0.38 -1.77 0.00 0.00 0.00 0.00 0.00 35.03 33.64 2qbb n LYS 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2qbb n SER 22 N -0.18 0.00 -3.43 3.14 7.64 -1.23 -4.59 113.62 114.97 2qbb n SER 22 Ca 0.24 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.88 2qbb n SER 22 Cb 0.69 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 64.12 2qbb n SER 22 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qbb n GLY 23 N -0.66 -3.17 0.00 0.23 0.00 -1.26 -4.85 105.19 95.48 2qbb n GLY 23 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 2qbb n GLY 23 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qbb n VAL 24 N -5.13 0.00 0.00 1.61 0.24 -1.26 -4.65 118.33 109.14 2qbb n VAL 24 Ca 0.10 0.36 0.00 0.00 -2.04 0.00 0.00 64.34 62.76 2qbb n VAL 24 Cb 0.47 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 2qbb n VAL 24 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2qbb n ARG 25 N 0.00 0.00 -0.18 7.34 -4.01 -1.26 -5.03 116.66 113.52 2qbb n ARG 25 Ca 0.00 0.00 0.02 0.00 -1.04 0.00 0.00 57.85 56.83 2qbb n ARG 25 Cb 0.00 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 29.41 2qbb n ARG 25 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2qbb n ALA 26 N -3.00 -0.46 -2.02 2.89 0.00 -1.26 -4.93 120.51 111.74 2qbb n ALA 26 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2qbb n ALA 26 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2qbb n ALA 26 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qbb n ILE 27 N -2.26-12.10 -0.90 0.00 5.41 -1.26 -4.95 119.36 103.29 2qbb n ILE 27 Ca 0.00 2.90 0.00 0.00 1.00 0.00 0.00 62.75 66.65 2qbb n ILE 27 Cb 0.08 -5.41 0.00 0.00 -0.71 0.00 0.00 39.64 33.60 2qbb n ILE 27 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2qbb n ASP 28 N 1.63 -5.55 -1.46 4.38 -0.08 -1.26 -4.98 116.55 109.23 2qbb n ASP 28 Ca 0.00 0.67 0.19 0.00 -1.51 0.00 0.00 54.79 54.14 2qbb n ASP 28 Cb 0.00 -2.02 -0.06 0.00 2.34 0.00 0.00 41.12 41.38 2qbb n ASP 28 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2qbb n THR 29 N -0.22 0.00 -1.74 5.18 -1.04 -1.26 -4.76 114.28 110.44 2qbb n THR 29 Ca 0.00 0.38 -0.17 0.00 -2.04 0.00 0.00 64.05 62.22 2qbb n THR 29 Cb 0.00 -0.87 -0.06 0.00 -1.82 0.00 0.00 70.33 67.59 2qbb n THR 29 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qbb n LYS 30 N -4.31 -1.52 0.00 -2.82 4.01 -1.26 -4.19 118.16 108.06 2qbb n LYS 30 Ca -0.03 0.95 0.00 0.00 -0.51 0.00 0.00 58.31 58.73 2qbb n LYS 30 Cb 0.68 -5.35 0.00 0.00 -0.51 0.00 0.00 35.03 29.85 2qbb n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qbb n LYS 32 N -0.12 -1.45 -1.18 0.00 5.02 -1.26 -5.02 118.16 114.15 2qbb n LYS 32 Ca 0.00 0.16 -0.34 0.00 -2.02 0.00 0.00 58.31 56.10 2qbb n LYS 32 Cb 0.00 -3.13 0.11 0.00 -0.02 0.00 0.00 35.03 31.99 2qbb n LYS 32 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2qbb n ILE 33 N -2.71 2.18 -3.49 -0.18 0.13 -1.26 -3.64 119.36 110.39 2qbb n ILE 33 Ca -0.01 -0.28 -0.16 0.00 -1.10 0.00 0.00 62.75 61.21 2qbb n ILE 33 Cb 0.52 -1.10 0.00 0.00 -0.84 0.00 0.00 39.64 38.22 2qbb n ILE 33 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 2qbb n GLU 34 N -2.53 -1.41 0.12 9.51 4.07 -1.26 -4.81 120.64 124.33 2qbb n GLU 34 Ca 0.13 1.02 0.00 0.00 -0.06 0.00 0.00 57.16 58.25 2qbb n GLU 34 Cb 0.50 -3.88 0.00 0.00 -0.06 0.00 0.00 31.44 28.00 2qbb n GLU 34 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2qbb n GLN 35 N -2.47 0.00 -3.15 5.31 3.00 -1.24 -5.11 117.38 113.72 2qbb n GLN 35 Ca -0.17 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.87 2qbb n GLN 35 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.84 2qbb n GLN 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qbb s ALA 36 N -1.64 -2.96 -0.71 -1.58 0.00 -1.26 -4.07 121.76 109.54 2qbb s ALA 36 Ca 0.00 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.21 2qbb s ALA 36 Cb 0.00 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.53 2qbb s ALA 36 CO 0.00 -1.84 0.85 -2.30 0.00 0.00 0.00 175.76 172.47 2qbb n PRO 37 N 5.33 0.00 -2.21 0.00 -0.02 -1.26 -4.68 135.00 132.16 2qbb n PRO 37 Ca 0.05 0.35 -0.03 0.00 -2.02 0.00 0.00 63.50 61.85 2qbb n PRO 37 Cb 0.55 -1.64 0.01 0.00 -0.02 0.00 0.00 33.50 32.40 2qbb n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qbb n GLY 38 N -1.35 1.49 0.39 -1.23 0.00 -1.26 -4.85 105.19 98.37 2qbb n GLY 38 Ca 0.00 -1.10 0.21 0.00 0.00 0.00 0.00 46.02 45.13 2qbb n GLY 38 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2qbb h GLN 39 N 0.00 0.01 -0.01 1.61 5.75 -2.03 -1.34 115.11 119.10 2qbb h GLN 39 Ca -0.14 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 2qbb h GLN 39 Cb 0.52 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 2qbb h GLN 39 CO 0.18 0.01 -0.20 0.72 -2.65 0.00 0.00 178.83 176.88 2qbb n HIS 40 N -4.37 0.00 0.25 3.99 8.25 -1.26 -4.58 115.22 117.50 2qbb n HIS 40 Ca 0.11 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.66 2qbb n HIS 40 Cb 0.64 0.00 0.47 0.00 1.12 0.00 0.00 29.99 32.22 2qbb n HIS 40 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2qbb h GLY 41 N 2.23 0.00 0.75 -1.41 0.00 -1.51 -0.98 103.07 102.15 2qbb h GLY 41 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.49 2qbb h GLY 41 CO 0.00 0.00 0.47 0.00 0.00 0.00 0.00 176.54 177.01 2qbb h ALA 42 N 1.03 2.39 -2.50 3.60 0.00 -1.74 -3.40 119.26 118.63 2qbb h ALA 42 Ca 0.00 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.40 2qbb h ALA 42 Cb 0.85 0.04 0.08 0.00 0.00 0.00 0.00 17.79 18.76 2qbb h ALA 42 CO 0.00 -0.75 0.41 0.50 0.00 0.00 0.00 179.25 179.41 2qbb s ARG 43 N -4.81 2.68 -0.77 0.00 3.00 -0.37 -4.98 118.95 113.69 2qbb s ARG 43 Ca -0.05 0.38 0.03 0.00 -1.00 0.00 0.00 55.73 55.09 2qbb s ARG 43 Cb 0.18 -2.01 0.22 0.00 0.00 0.00 0.00 34.95 33.34 2qbb s ARG 43 CO 0.65 -1.15 0.74 1.17 0.00 0.00 0.00 175.30 176.71 2qbb n LYS 44 N -3.06 2.50 -2.38 5.12 4.81 -1.26 -5.05 118.16 118.83 2qbb n LYS 44 Ca 0.07 -4.56 -0.41 0.00 -0.87 0.00 0.00 58.31 52.55 2qbb n LYS 44 Cb 0.58 -2.33 -0.04 0.00 0.02 0.00 0.00 35.03 33.26 2qbb n LYS 44 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2qbb s PRO 45 N -1.90 4.55 0.45 1.64 0.04 -1.26 -5.02 135.00 133.50 2qbb s PRO 45 Ca 0.31 1.91 -0.21 0.00 0.04 0.00 0.00 61.00 63.05 2qbb s PRO 45 Cb 0.02 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.29 2qbb s PRO 45 CO -0.08 0.08 0.98 1.03 0.04 0.00 0.00 177.00 179.05 2qbb s ARG 46 N -1.32 4.07 0.25 4.56 0.52 -1.26 -5.07 118.95 120.69 2qbb s ARG 46 Ca 0.47 1.21 0.09 0.00 -0.52 0.00 0.00 55.73 56.98 2qbb s ARG 46 Cb -0.34 -2.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 2qbb s ARG 46 CO 0.43 -0.18 -0.00 -1.17 0.02 0.00 0.00 175.30 174.40 2qbb s LEU 47 N -3.28 3.21 0.31 2.53 2.96 -1.26 -5.10 118.68 118.04 2qbb s LEU 47 Ca 0.64 -0.60 0.10 0.00 -0.22 0.00 0.00 54.13 54.05 2qbb s LEU 47 Cb -0.12 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.76 2qbb s LEU 47 CO 0.16 0.02 -0.06 -0.55 -1.32 0.00 0.00 176.35 174.59 2qbb s SER 48 N -3.52 4.06 0.12 3.68 0.15 -1.26 -4.86 113.70 112.06 2qbb s SER 48 Ca 0.30 -0.94 -0.16 0.00 0.70 0.00 0.00 55.95 55.86 2qbb s SER 48 Cb -0.07 -0.52 0.04 0.00 -1.71 0.00 0.00 66.02 63.75 2qbb s SER 48 CO 0.20 -0.10 0.95 0.47 1.20 0.00 0.00 173.24 175.95 2qbb n ASP 49 N -0.83 -0.55 0.26 5.45 9.92 -1.26 0.34 116.55 129.89 2qbb n ASP 49 Ca -0.05 1.08 -0.17 0.00 -0.53 0.00 0.00 54.79 55.12 2qbb n ASP 49 Cb 0.61 -0.18 -0.10 0.00 -0.64 0.00 0.00 41.12 40.81 2qbb n ASP 49 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 2qbb h TYR 50 N 0.00 -1.37 -0.62 1.24 3.20 -1.98 0.20 116.97 117.64 2qbb h TYR 50 Ca 0.15 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.15 2qbb h TYR 50 Cb 0.30 0.54 -0.12 0.00 1.54 0.00 0.00 36.73 38.99 2qbb h TYR 50 CO -0.59 -0.64 -0.20 0.78 -1.64 0.00 0.00 178.16 175.86 2qbb h GLY 51 N -0.94 0.32 0.86 1.82 0.00 -0.49 0.40 103.07 105.05 2qbb h GLY 51 Ca -0.05 0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.56 2qbb h GLY 51 CO -0.09 -0.24 0.22 -2.08 0.00 0.00 0.00 176.54 174.35 2qbb h VAL 52 N -0.05 1.02 -0.35 4.60 2.07 -0.08 -1.61 116.25 121.85 2qbb h VAL 52 Ca 0.29 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 2qbb h VAL 52 Cb 0.49 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2qbb h VAL 52 CO -0.66 0.08 0.20 1.56 0.02 0.00 0.00 177.57 178.77 2qbb h GLN 53 N 0.45 0.46 -0.37 1.57 4.20 0.17 -2.31 115.11 119.27 2qbb h GLN 53 Ca 0.16 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 2qbb h GLN 53 Cb 0.04 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2qbb h GLN 53 CO -0.09 0.33 0.12 1.25 -0.67 0.00 0.00 178.83 179.77 2qbb h LEU 54 N 0.47 0.54 0.85 1.46 6.46 0.66 -2.15 115.31 123.60 2qbb h LEU 54 Ca 0.13 -0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 57.64 2qbb h LEU 54 Cb -0.00 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 39.79 2qbb h LEU 54 CO -0.02 0.59 -0.41 0.03 -0.62 0.00 0.00 178.44 178.01 2qbb h ARG 55 N 0.45 -1.11 -1.13 1.25 -0.00 -1.00 1.32 114.38 114.16 2qbb h ARG 55 Ca 0.12 0.08 0.36 0.00 -0.50 0.00 0.00 59.98 60.04 2qbb h ARG 55 Cb 0.24 0.25 -0.13 0.00 0.00 0.00 0.00 29.97 30.33 2qbb h ARG 55 CO -0.00 -0.74 0.70 1.49 0.00 0.00 0.00 179.97 181.41 2qbb h GLU 56 N -1.27 0.22 0.15 0.04 4.57 -1.46 0.95 114.58 117.77 2qbb h GLU 56 Ca -0.12 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 57.82 2qbb h GLU 56 Cb 0.88 -0.05 0.02 0.00 -0.16 0.00 0.00 28.75 29.44 2qbb h GLU 56 CO 0.19 0.14 -1.09 -0.22 -1.18 0.00 0.00 179.01 176.85 2qbb h LYS 57 N 0.22 0.31 -0.29 1.92 3.11 -1.12 -3.11 116.57 117.61 2qbb h LYS 57 Ca 0.75 -0.53 -0.01 0.00 -2.81 0.00 0.00 60.65 58.06 2qbb h LYS 57 Cb 2.03 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 33.45 2qbb h LYS 57 CO -0.49 1.25 0.15 0.37 -2.81 0.00 0.00 179.45 177.92 2qbb h GLN 58 N -0.29 0.41 0.19 1.90 5.75 0.48 -2.57 115.11 120.98 2qbb h GLN 58 Ca -0.21 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.23 2qbb h GLN 58 Cb 1.74 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 30.21 2qbb h GLN 58 CO 0.13 0.37 -0.15 -0.22 -2.65 0.00 0.00 178.83 176.32 2qbb h LYS 59 N 0.33 -0.32 0.00 1.69 3.64 0.61 -1.77 116.57 120.76 2qbb h LYS 59 Ca 0.10 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2qbb h LYS 59 Cb 0.10 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 2qbb h LYS 59 CO -0.01 -0.21 0.35 -0.24 -2.27 0.00 0.00 179.45 177.06 2qbb h VAL 60 N -0.33 0.00 0.00 2.00 3.04 -1.59 -1.92 116.25 117.46 2qbb h VAL 60 Ca -0.02 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.56 2qbb h VAL 60 Cb 0.28 0.35 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 2qbb h VAL 60 CO 0.00 0.00 -0.67 -0.09 -1.01 0.00 0.00 177.57 175.80 2qbb h ARG 61 N 0.00 0.00 0.00 4.17 2.43 -1.00 -3.37 114.38 116.61 2qbb h ARG 61 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qbb h ARG 61 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2qbb h ARG 61 CO 0.00 0.66 0.00 0.07 -1.51 0.00 0.00 179.97 179.19 2qbb h ARG 62 N -1.00 0.00 -0.49 0.20 0.11 -0.60 -2.49 114.38 110.12 2qbb h ARG 62 Ca -0.15 0.00 0.02 0.00 0.10 0.00 0.00 59.98 59.95 2qbb h ARG 62 Cb 0.91 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.96 2qbb h ARG 62 CO -0.09 0.00 0.29 0.82 0.10 0.00 0.00 179.97 181.09 2qbb h ILE 63 N 0.00 1.06 0.00 0.08 2.04 -1.55 -2.12 117.51 117.01 2qbb h ILE 63 Ca 0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2qbb h ILE 63 Cb 0.37 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2qbb h ILE 63 CO 0.00 0.11 -0.56 -1.22 0.00 0.00 0.00 178.15 176.48 2qbb n TYR 64 N -4.80 0.13 0.00 1.37 4.02 -1.11 -4.96 117.16 111.81 2qbb n TYR 64 Ca 0.03 0.04 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 2qbb n TYR 64 Cb 0.07 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.04 2qbb n TYR 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qbb n GLY 65 N 1.46 2.84 3.11 2.72 0.00 -0.80 -4.97 105.19 109.55 2qbb n GLY 65 Ca 0.05 -0.71 -0.45 0.00 0.00 0.00 0.00 46.02 44.91 2qbb n GLY 65 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qbb n VAL 66 N 0.00 1.67 -2.29 1.61 0.24 -1.23 -4.77 118.33 113.56 2qbb n VAL 66 Ca 0.00 -0.42 -0.16 0.00 -2.04 0.00 0.00 64.34 61.72 2qbb n VAL 66 Cb 0.00 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 32.46 2qbb n VAL 66 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2qbb n LEU 67 N 1.79 0.00 0.00 1.34 4.77 -1.26 -4.41 117.00 119.22 2qbb n LEU 67 Ca 0.17 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.87 2qbb n LEU 67 Cb 0.22 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2qbb n LEU 67 CO 0.51 -0.88 0.39 1.21 -1.33 0.00 0.00 177.39 177.29 2qbb n GLU 68 N -2.33 0.00 -0.07 3.23 4.07 -1.26 -1.50 120.64 122.78 2qbb n GLU 68 Ca 0.11 0.47 -0.02 0.00 -0.06 0.00 0.00 57.16 57.66 2qbb n GLU 68 Cb 0.38 -1.27 -0.02 0.00 -0.06 0.00 0.00 31.44 30.47 2qbb n GLU 68 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2qbb n ARG 69 N -1.63 -0.08 -0.27 5.31 3.00 -1.26 -0.32 116.66 121.42 2qbb n ARG 69 Ca 0.00 0.98 0.08 0.00 -0.00 0.00 0.00 57.85 58.91 2qbb n ARG 69 Cb 0.00 -1.46 0.21 0.00 0.00 0.00 0.00 32.46 31.21 2qbb n ARG 69 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 2qbb h GLN 70 N 0.00 0.19 0.12 -0.14 4.15 -1.97 -0.44 115.11 117.03 2qbb h GLN 70 Ca 0.03 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2qbb h GLN 70 Cb 0.07 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 2qbb h GLN 70 CO -0.16 0.13 -0.08 0.35 -1.93 0.00 0.00 178.83 177.13 2qbb h PHE 71 N 0.20 -0.21 -0.59 3.99 3.57 0.24 -2.73 116.94 121.41 2qbb h PHE 71 Ca 0.46 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.02 2qbb h PHE 71 Cb 0.85 0.08 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 2qbb h PHE 71 CO -0.31 -0.13 -0.55 -0.09 -2.23 0.00 0.00 178.31 174.99 2qbb h ARG 72 N -0.21 -0.25 -1.13 1.11 9.65 0.10 0.44 114.38 124.09 2qbb h ARG 72 Ca -0.01 0.02 0.32 0.00 -1.10 0.00 0.00 59.98 59.21 2qbb h ARG 72 Cb 0.18 0.06 -0.10 0.00 -1.39 0.00 0.00 29.97 28.71 2qbb h ARG 72 CO 0.00 -0.17 0.74 -0.91 2.80 0.00 0.00 179.97 182.43 2qbb h ASN 73 N -0.26 0.36 -0.08 -3.80 -0.26 -1.26 0.16 115.58 110.44 2qbb h ASN 73 Ca 0.10 0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.92 2qbb h ASN 73 Cb 0.52 0.05 -0.00 0.00 -1.06 0.00 0.00 38.32 37.82 2qbb h ASN 73 CO -0.69 -0.00 0.01 1.88 -1.06 0.00 0.00 177.43 177.57 2qbb h TYR 74 N 0.27 0.14 -0.24 1.19 0.05 0.15 -2.61 116.97 115.93 2qbb h TYR 74 Ca 0.66 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.40 2qbb h TYR 74 Cb 1.88 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 39.57 2qbb h TYR 74 CO -0.00 0.36 0.06 -0.92 -1.05 0.00 0.00 178.16 176.61 2qbb h TYR 75 N -0.12 0.33 0.00 4.88 3.20 -0.06 0.30 116.97 125.50 2qbb h TYR 75 Ca 0.02 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2qbb h TYR 75 Cb 0.30 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.46 2qbb h TYR 75 CO 0.02 0.30 -0.02 -0.22 -1.64 0.00 0.00 178.16 176.60 2qbb h LYS 76 N 0.34 0.00 0.02 1.82 3.64 -0.66 -2.00 116.57 119.73 2qbb h LYS 76 Ca 0.08 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.10 2qbb h LYS 76 Cb 0.13 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.89 2qbb h LYS 76 CO -0.00 0.02 -2.22 -1.91 -2.27 0.00 0.00 179.45 173.06 2qbb n GLU 77 N -3.21 0.68 0.22 1.90 4.07 -0.08 -3.84 120.64 120.38 2qbb n GLU 77 Ca -0.02 0.14 0.18 0.00 -0.06 0.00 0.00 57.16 57.40 2qbb n GLU 77 Cb 0.15 -1.60 0.81 0.00 -0.06 0.00 0.00 31.44 30.73 2qbb n GLU 77 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qbb h ALA 78 N 0.59 1.69 0.02 4.31 0.00 -0.30 -2.05 119.26 123.51 2qbb h ALA 78 Ca -0.49 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.03 2qbb h ALA 78 Cb 2.07 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.82 2qbb h ALA 78 CO 0.02 -0.44 -2.24 0.00 0.00 0.00 0.00 179.25 176.59 2qbb n ALA 79 N -2.13 1.16 0.20 0.00 0.00 -1.15 -3.39 120.51 115.20 2qbb n ALA 79 Ca 0.02 -0.93 0.11 0.00 0.00 0.00 0.00 53.44 52.64 2qbb n ALA 79 Cb 0.45 -0.17 0.58 0.00 0.00 0.00 0.00 19.45 20.32 2qbb n ALA 79 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbb n ARG 80 N -3.88 0.15 -2.96 0.00 1.85 -0.95 -4.56 116.66 106.31 2qbb n ARG 80 Ca -0.45 0.61 -0.40 0.00 -1.00 0.00 0.00 57.85 56.60 2qbb n ARG 80 Cb 0.91 -1.96 -0.04 0.00 -1.05 0.00 0.00 32.46 30.32 2qbb n ARG 80 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2qbb s LEU 81 N -4.54 4.32 0.62 2.89 1.43 -0.81 -4.92 118.68 117.68 2qbb s LEU 81 Ca -0.01 1.30 0.21 0.00 -1.03 0.00 0.00 54.13 54.60 2qbb s LEU 81 Cb 0.07 -3.21 0.90 0.00 0.03 0.00 0.00 46.19 43.98 2qbb s LEU 81 CO 0.23 -0.17 1.43 0.11 0.23 0.00 0.00 176.35 178.18 2qbb h LYS 82 N 6.80 0.00 -7.40 1.70 1.57 -1.92 -3.41 116.57 113.90 2qbb h LYS 82 Ca -0.40 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 57.87 2qbb h LYS 82 Cb 1.20 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.58 2qbb h LYS 82 CO 0.76 0.00 0.41 0.20 -0.57 0.00 0.00 179.45 180.25 2qbb s GLY 83 N -3.46 1.65 0.09 3.86 0.00 -1.26 -4.97 107.32 103.22 2qbb s GLY 83 Ca -0.02 -0.17 -0.33 0.00 0.00 0.00 0.00 44.72 44.19 2qbb s GLY 83 CO 0.35 0.14 1.72 -2.01 0.00 0.00 0.00 173.10 173.29 2qbb n ASN 84 N -2.87 3.41 -0.32 1.64 2.85 -1.26 -4.84 115.26 113.87 2qbb n ASN 84 Ca 0.06 1.03 0.25 0.00 -0.11 0.00 0.00 54.58 55.81 2qbb n ASN 84 Cb 0.55 -1.44 0.55 0.00 1.24 0.00 0.00 39.78 40.68 2qbb n ASN 84 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 2qbb h THR 85 N 4.35 0.50 0.00 -0.44 2.02 -1.85 -2.37 112.91 115.12 2qbb h THR 85 Ca -0.46 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2qbb h THR 85 Cb 1.25 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2qbb h THR 85 CO 0.92 0.06 0.00 0.61 0.37 0.00 0.00 175.52 177.48 2qbb n GLY 86 N -1.53 -3.09 0.21 2.16 0.00 -1.26 -2.54 105.19 99.14 2qbb n GLY 86 Ca 0.25 0.35 -0.04 0.00 0.00 0.00 0.00 46.02 46.59 2qbb n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qbb h GLU 87 N 0.00 -0.03 -0.54 1.61 4.22 -1.95 -2.51 114.58 115.39 2qbb h GLU 87 Ca 0.00 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.54 2qbb h GLU 87 Cb 0.00 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.16 2qbb h GLU 87 CO 0.00 -0.02 -0.16 0.09 -2.18 0.00 0.00 179.01 176.74 2qbb n ASN 88 N -5.36 -0.25 0.21 1.04 4.13 -0.90 -0.18 115.26 113.96 2qbb n ASN 88 Ca 0.04 0.93 -0.14 0.00 1.68 0.00 0.00 54.58 57.09 2qbb n ASN 88 Cb 0.27 -0.26 -0.08 0.00 -1.54 0.00 0.00 39.78 38.17 2qbb n ASN 88 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2qbb h LEU 89 N 0.00 -0.46 -0.89 3.41 6.46 -1.16 -0.77 115.31 121.91 2qbb h LEU 89 Ca 0.23 -0.10 0.15 0.00 -0.12 0.00 0.00 57.88 58.04 2qbb h LEU 89 Cb 0.37 0.12 -0.09 0.00 -0.73 0.00 0.00 40.66 40.32 2qbb h LEU 89 CO -0.55 -0.15 0.49 -0.07 -0.62 0.00 0.00 178.44 177.54 2qbb h LEU 90 N -0.79 0.62 0.00 2.25 -0.00 -0.63 -0.96 115.31 115.80 2qbb h LEU 90 Ca -0.06 0.09 -0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2qbb h LEU 90 Cb 0.53 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.17 2qbb h LEU 90 CO 0.09 0.27 -0.00 0.00 -0.00 0.00 0.00 178.44 178.80 2qbb h ALA 91 N 1.57 -0.00 -0.94 1.53 0.00 -0.75 0.36 119.26 121.03 2qbb h ALA 91 Ca 0.48 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.49 2qbb h ALA 91 Cb 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 2qbb h ALA 91 CO -0.35 -0.44 0.54 -0.07 0.00 0.00 0.00 179.25 178.93 2qbb h LEU 92 N -0.12 0.71 -0.05 0.00 -0.00 0.07 0.61 115.31 116.53 2qbb h LEU 92 Ca -0.00 0.09 -0.09 0.00 -0.00 0.00 0.00 57.88 57.87 2qbb h LEU 92 Cb 0.12 -0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2qbb h LEU 92 CO 0.00 0.30 -0.32 -0.07 -0.00 0.00 0.00 178.44 178.34 2qbb h LEU 93 N 0.75 0.38 -1.58 1.67 3.38 -0.88 -3.16 115.31 115.87 2qbb h LEU 93 Ca 0.52 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2qbb h LEU 93 Cb 0.72 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2qbb h LEU 93 CO -0.35 0.99 0.04 -0.08 0.09 0.00 0.00 178.44 179.13 2qbb h GLU 94 N -0.20 0.31 0.00 1.13 4.57 0.63 -0.15 114.58 120.86 2qbb h GLU 94 Ca -0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 2qbb h GLU 94 Cb 0.99 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 2qbb h GLU 94 CO 0.07 0.30 0.00 0.41 -1.18 0.00 0.00 179.01 178.61 2qbb n GLY 95 N -1.21 -1.09 3.67 1.92 0.00 0.21 -4.36 105.19 104.32 2qbb n GLY 95 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2qbb n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbb s ARG 96 N -2.84 4.15 0.19 1.61 0.52 -0.07 -1.30 118.95 121.20 2qbb s ARG 96 Ca 0.13 2.54 -0.15 0.00 -0.52 0.00 0.00 55.73 57.74 2qbb s ARG 96 Cb 0.13 -3.98 0.17 0.00 0.52 0.00 0.00 34.95 31.79 2qbb s ARG 96 CO 0.34 -0.90 1.66 1.25 0.02 0.00 0.00 175.30 177.66 2qbb h LEU 97 N 10.00 -0.39 -1.40 2.53 6.46 -0.33 0.32 115.31 132.50 2qbb h LEU 97 Ca -0.47 0.14 0.22 0.00 -0.12 0.00 0.00 57.88 57.65 2qbb h LEU 97 Cb 1.22 0.28 -0.08 0.00 -0.73 0.00 0.00 40.66 41.36 2qbb h LEU 97 CO 0.94 -0.14 0.62 -2.24 -0.62 0.00 0.00 178.44 177.01 2qbb h ASP 98 N 0.03 0.47 -0.01 1.25 -0.00 -1.69 0.69 116.42 117.16 2qbb h ASP 98 Ca 0.25 0.06 -0.05 0.00 -0.00 0.00 0.00 57.03 57.28 2qbb h ASP 98 Cb 0.38 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 39.69 2qbb h ASP 98 CO -0.49 0.16 -0.20 -1.13 -0.00 0.00 0.00 179.24 177.58 2qbb h ASN 99 N 0.46 0.20 -0.53 4.15 -1.24 -0.82 -3.20 115.58 114.60 2qbb h ASN 99 Ca 0.52 -0.74 0.11 0.00 0.71 0.00 0.00 56.30 56.90 2qbb h ASN 99 Cb 1.23 -0.06 -0.10 0.00 0.73 0.00 0.00 38.32 40.11 2qbb h ASN 99 CO -0.23 0.91 -0.18 0.58 -1.29 0.00 0.00 177.43 177.21 2qbb h VAL 100 N -0.49 0.38 -0.62 2.57 2.07 0.15 0.37 116.25 120.68 2qbb h VAL 100 Ca -0.02 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.62 2qbb h VAL 100 Cb 0.93 0.38 -0.09 0.00 -1.52 0.00 0.00 31.29 30.99 2qbb h VAL 100 CO 0.04 0.00 0.10 0.58 0.02 0.00 0.00 177.57 178.31 2qbb h VAL 101 N -0.06 0.59 -0.54 2.57 2.07 -1.06 -0.65 116.25 119.16 2qbb h VAL 101 Ca 0.25 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.74 2qbb h VAL 101 Cb 0.45 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 2qbb h VAL 101 CO -0.58 0.04 0.28 0.22 0.02 0.00 0.00 177.57 177.56 2qbb h TYR 102 N 0.22 0.52 0.00 1.57 3.20 -0.96 -1.76 116.97 119.76 2qbb h TYR 102 Ca 0.33 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.22 2qbb h TYR 102 Cb 0.51 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.63 2qbb h TYR 102 CO -0.28 0.26 0.00 0.54 -1.64 0.00 0.00 178.16 177.04 2qbb n ARG 103 N -4.86 0.15 -1.16 1.82 5.12 -0.32 -2.72 116.66 114.69 2qbb n ARG 103 Ca 0.05 0.44 -0.21 0.00 -1.93 0.00 0.00 57.85 56.21 2qbb n ARG 103 Cb 0.14 -1.83 0.17 0.00 -1.16 0.00 0.00 32.46 29.78 2qbb n ARG 103 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 2qbb n MET 104 N -2.13 2.21 0.00 5.56 2.81 -0.66 -4.79 117.12 120.12 2qbb n MET 104 Ca 0.02 -3.08 0.00 0.00 -1.81 0.00 0.00 57.70 52.82 2qbb n MET 104 Cb 0.18 -2.11 0.00 0.00 -0.71 0.00 0.00 33.22 30.57 2qbb n MET 104 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qbb n GLY 105 N -1.12 1.01 3.56 3.03 0.00 -1.10 -4.95 105.19 105.62 2qbb n GLY 105 Ca 0.55 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 46.08 2qbb n GLY 105 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbb n PHE 106 N 0.00 1.10 -1.11 1.61 3.72 -1.22 -3.16 117.46 118.41 2qbb n PHE 106 Ca 0.00 0.73 0.00 0.00 -0.05 0.00 0.00 57.45 58.13 2qbb n PHE 106 Cb 0.00 -2.24 0.00 0.00 -0.94 0.00 0.00 39.48 36.30 2qbb n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qbb n GLY 107 N 1.82 -4.16 0.05 1.37 0.00 -1.26 -4.05 105.19 98.96 2qbb n GLY 107 Ca 0.14 -0.82 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 2qbb n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbb h ALA 108 N 1.22 -0.73 -1.57 4.61 0.00 -1.84 -3.45 119.26 117.50 2qbb h ALA 108 Ca 0.00 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.39 2qbb h ALA 108 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2qbb h ALA 108 CO 0.00 -0.72 -0.39 0.95 0.00 0.00 0.00 179.25 179.08 2qbb s THR 109 N -2.67 2.79 0.21 0.00 -4.23 -1.26 -4.78 115.64 105.70 2qbb s THR 109 Ca -0.02 -1.36 -0.09 0.00 -1.18 0.00 0.00 61.69 59.05 2qbb s THR 109 Cb 0.00 -3.03 0.15 0.00 1.34 0.00 0.00 72.50 70.97 2qbb s THR 109 CO 0.05 -0.03 1.81 0.03 -0.54 0.00 0.00 174.62 175.94 2qbb h ARG 110 N 1.07 1.09 -0.68 3.99 3.08 -1.90 0.69 114.38 121.73 2qbb h ARG 110 Ca -0.42 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.47 2qbb h ARG 110 Cb 1.26 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 2qbb h ARG 110 CO 0.58 0.84 0.38 0.00 -1.07 0.00 0.00 179.97 180.70 2qbb h ALA 111 N 1.20 1.38 -0.28 0.04 0.00 -1.92 -0.27 119.26 119.41 2qbb h ALA 111 Ca 0.27 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 2qbb h ALA 111 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2qbb h ALA 111 CO -0.04 0.51 -0.46 1.49 0.00 0.00 0.00 179.25 180.76 2qbb h GLU 112 N 0.95 0.72 -0.36 0.00 4.81 -1.75 -2.89 114.58 116.05 2qbb h GLU 112 Ca 0.24 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 59.02 2qbb h GLU 112 Cb 0.01 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2qbb h GLU 112 CO -0.04 1.02 0.02 0.00 -0.73 0.00 0.00 179.01 179.28 2qbb h ALA 113 N 0.91 1.35 -0.32 2.92 0.00 0.04 -3.06 119.26 121.11 2qbb h ALA 113 Ca 0.03 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2qbb h ALA 113 Cb 1.01 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 2qbb h ALA 113 CO 0.10 0.45 -0.53 -0.09 0.00 0.00 0.00 179.25 179.18 2qbb h ARG 114 N 0.54 -0.43 -1.01 0.00 2.43 -0.86 0.59 114.38 115.65 2qbb h ARG 114 Ca 0.12 0.03 0.24 0.00 -0.81 0.00 0.00 59.98 59.56 2qbb h ARG 114 Cb 0.32 0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 29.87 2qbb h ARG 114 CO 0.01 -0.29 0.64 0.37 -1.51 0.00 0.00 179.97 179.19 2qbb h GLN 115 N -0.44 0.48 -0.74 0.20 4.15 -1.61 0.39 115.11 117.54 2qbb h GLN 115 Ca 0.07 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 2qbb h GLN 115 Cb 0.62 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 2qbb h GLN 115 CO -0.54 0.32 0.23 -0.07 -1.93 0.00 0.00 178.83 176.84 2qbb h LEU 116 N 0.50 1.08 0.46 -2.39 3.38 -0.96 0.89 115.31 118.27 2qbb h LEU 116 Ca 0.59 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.33 2qbb h LEU 116 Cb 1.30 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2qbb h LEU 116 CO -0.33 1.00 -0.22 0.58 0.09 0.00 0.00 178.44 179.56 2qbb h VAL 117 N 1.10 0.08 -0.98 1.22 2.07 0.52 0.94 116.25 121.21 2qbb h VAL 117 Ca 0.24 -0.56 0.19 0.00 0.82 0.00 0.00 66.70 67.39 2qbb h VAL 117 Cb 0.31 0.13 -0.09 0.00 -1.52 0.00 0.00 31.29 30.12 2qbb h VAL 117 CO -0.01 0.02 0.61 -1.28 0.02 0.00 0.00 177.57 176.93 2qbb h SER 118 N -1.14 0.69 -0.37 0.57 0.87 -0.62 -1.98 113.55 111.58 2qbb h SER 118 Ca -0.06 0.08 -0.21 0.00 -1.23 0.00 0.00 61.79 60.37 2qbb h SER 118 Cb 0.51 -0.05 -0.11 0.00 -0.44 0.00 0.00 62.40 62.31 2qbb h SER 118 CO 0.10 0.26 0.26 1.41 -0.53 0.00 0.00 176.83 178.34 2qbb n HIS 119 N -4.68 1.15 -2.18 2.24 -0.00 0.30 -4.77 115.22 107.28 2qbb n HIS 119 Ca 0.22 -1.16 -0.10 0.00 -0.00 0.00 0.00 57.72 56.69 2qbb n HIS 119 Cb 0.60 -0.58 -0.01 0.00 -0.00 0.00 0.00 29.99 29.99 2qbb n HIS 119 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2qbb n LYS 120 N 0.03 -2.12 0.16 -0.41 5.02 -0.74 -4.80 118.16 115.30 2qbb n LYS 120 Ca 0.22 0.49 0.12 0.00 -2.02 0.00 0.00 58.31 57.12 2qbb n LYS 120 Cb 0.86 -4.97 0.08 0.00 -0.02 0.00 0.00 35.03 30.98 2qbb n LYS 120 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbb h ALA 121 N 1.02 0.73 -1.81 7.82 0.00 -0.96 -3.46 119.26 122.59 2qbb h ALA 121 Ca -0.22 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.21 2qbb h ALA 121 Cb 1.04 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 2qbb h ALA 121 CO 0.27 0.00 -0.41 0.42 0.00 0.00 0.00 179.25 179.53 2qbb s ILE 122 N -3.29 3.64 -0.28 0.00 -1.09 -1.06 -1.05 121.20 118.07 2qbb s ILE 122 Ca 0.03 -1.26 -0.17 0.00 -2.23 0.00 0.00 60.65 57.02 2qbb s ILE 122 Cb 0.08 -3.24 0.10 0.00 -1.58 0.00 0.00 42.46 37.81 2qbb s ILE 122 CO 0.73 -0.16 0.78 -0.32 -1.23 0.00 0.00 174.94 174.74 2qbb s MET 123 N -4.06 0.63 -0.24 2.79 -2.45 -1.16 -2.30 119.30 112.52 2qbb s MET 123 Ca 0.43 1.03 -0.05 0.00 -1.25 0.00 0.00 55.69 55.85 2qbb s MET 123 Cb -0.07 0.16 -0.01 0.00 1.25 0.00 0.00 34.83 36.16 2qbb s MET 123 CO 0.28 -0.12 0.01 0.08 1.05 0.00 0.00 175.02 176.32 2qbb s VAL 124 N 1.37 3.76 -1.09 10.11 1.01 0.33 -1.53 120.40 134.36 2qbb s VAL 124 Ca -0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 2qbb s VAL 124 Cb -0.05 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 2qbb s VAL 124 CO -0.16 0.36 0.93 0.59 0.00 0.00 0.00 175.10 176.82 2qbb n ASN 125 N 4.85 -4.46 -1.32 3.32 4.13 -0.60 -2.63 115.26 118.55 2qbb n ASN 125 Ca -0.17 -0.65 -0.17 0.00 1.68 0.00 0.00 54.58 55.27 2qbb n ASN 125 Cb 0.51 -5.04 -0.07 0.00 -1.54 0.00 0.00 39.78 33.64 2qbb n ASN 125 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qbb n GLY 126 N -1.19 1.57 2.78 7.41 0.00 -1.26 -4.98 105.19 109.52 2qbb n GLY 126 Ca -0.17 -0.22 -0.19 0.00 0.00 0.00 0.00 46.02 45.45 2qbb n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbb s ARG 127 N -3.50 0.30 0.43 1.61 3.00 -1.08 -5.13 118.95 114.58 2qbb s ARG 127 Ca 0.00 0.14 -0.24 0.00 0.00 0.00 0.00 55.73 55.63 2qbb s ARG 127 Cb 0.00 -0.60 -0.08 0.00 0.00 0.00 0.00 34.95 34.27 2qbb s ARG 127 CO 0.00 -0.21 1.14 0.54 0.00 0.00 0.00 175.30 176.77 2qbb s VAL 128 N 1.43 3.26 -0.07 3.52 0.11 -1.26 0.12 120.40 127.51 2qbb s VAL 128 Ca -0.04 0.98 -0.03 0.00 -2.93 0.00 0.00 61.98 59.95 2qbb s VAL 128 Cb -0.13 -3.51 0.04 0.00 -1.53 0.00 0.00 36.38 31.25 2qbb s VAL 128 CO -0.03 0.02 0.15 -0.69 -3.33 0.00 0.00 175.10 171.22 2qbb s VAL 129 N -1.54 -0.14 -0.34 2.04 1.01 -0.97 -4.82 120.40 115.63 2qbb s VAL 129 Ca 0.61 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.91 2qbb s VAL 129 Cb -0.28 -0.26 0.48 0.00 0.00 0.00 0.00 36.38 36.32 2qbb s VAL 129 CO 0.34 0.11 1.45 -0.46 0.00 0.00 0.00 175.10 176.53 2qbb n ASN 130 N 4.69 3.87 -4.01 3.32 6.94 -1.23 -4.53 115.26 124.31 2qbb n ASN 130 Ca -0.17 -3.79 -0.32 0.00 -0.02 0.00 0.00 54.58 50.27 2qbb n ASN 130 Cb 0.51 -0.59 -0.13 0.00 -2.36 0.00 0.00 39.78 37.21 2qbb n ASN 130 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2qbb s ILE 131 N -3.88 2.84 0.57 1.53 1.01 -1.26 -4.22 121.20 117.79 2qbb s ILE 131 Ca 0.49 -2.94 0.31 0.00 0.00 0.00 0.00 60.65 58.51 2qbb s ILE 131 Cb 0.42 -2.96 0.44 0.00 0.01 0.00 0.00 42.46 40.37 2qbb s ILE 131 CO 0.00 -0.77 1.81 0.00 0.00 0.00 0.00 174.94 175.98 2qbb h ALA 132 N 6.97 2.59 -0.24 9.38 0.00 -1.92 0.43 119.26 136.47 2qbb h ALA 132 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2qbb h ALA 132 Cb 0.94 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2qbb h ALA 132 CO 0.66 -1.07 0.00 -1.13 0.00 0.00 0.00 179.25 177.71 2qbb n SER 133 N -3.86 1.98 -4.76 0.00 3.41 -1.26 -2.18 113.62 106.95 2qbb n SER 133 Ca 0.16 -2.14 -0.41 0.00 -0.26 0.00 0.00 58.87 56.22 2qbb n SER 133 Cb 0.95 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 2qbb n SER 133 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2qbb s TYR 134 N -1.64 3.02 -0.60 7.33 5.04 0.15 -4.81 117.35 125.84 2qbb s TYR 134 Ca 0.19 1.31 -0.17 0.00 -2.44 0.00 0.00 57.07 55.96 2qbb s TYR 134 Cb 0.12 -3.73 0.13 0.00 0.35 0.00 0.00 41.96 38.83 2qbb s TYR 134 CO 0.10 -2.11 0.62 -1.14 -1.34 0.00 0.00 175.55 171.67 2qbb s GLN 135 N -1.44 3.10 -0.16 4.97 2.00 -1.26 0.20 119.66 127.08 2qbb s GLN 135 Ca 0.52 -1.67 -0.29 0.00 -2.00 0.00 0.00 55.36 51.91 2qbb s GLN 135 Cb -0.40 -4.32 -0.04 0.00 0.80 0.00 0.00 33.01 29.04 2qbb s GLN 135 CO 0.51 -1.41 1.71 0.08 -0.50 0.00 0.00 175.29 175.68 2qbb s VAL 136 N 1.81 3.55 0.75 1.34 1.01 -0.42 -4.96 120.40 123.48 2qbb s VAL 136 Ca 0.08 0.63 -0.11 0.00 0.00 0.00 0.00 61.98 62.58 2qbb s VAL 136 Cb -0.25 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.66 2qbb s VAL 136 CO 0.02 -0.18 1.13 -0.44 0.00 0.00 0.00 175.10 175.63 2qbb s SER 137 N 4.39 4.95 0.83 3.32 0.01 -1.26 -4.89 113.70 121.06 2qbb s SER 137 Ca 0.76 0.91 -0.11 0.00 1.31 0.00 0.00 55.95 58.82 2qbb s SER 137 Cb -0.29 -1.55 0.09 0.00 0.21 0.00 0.00 66.02 64.48 2qbb s SER 137 CO 0.31 -1.62 1.10 -2.16 0.41 0.00 0.00 173.24 171.28 2qbb s PRO 138 N -5.45 1.75 0.00 12.44 0.04 -1.26 -3.23 135.00 139.29 2qbb s PRO 138 Ca 0.60 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2qbb s PRO 138 Cb -0.11 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2qbb s PRO 138 CO 0.50 -2.01 0.00 0.09 0.04 0.00 0.00 177.00 175.62 2qbb n ASN 139 N -3.77 0.00 -4.61 6.66 3.02 0.51 -4.92 115.26 112.16 2qbb n ASN 139 Ca 0.09 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.27 2qbb n ASN 139 Cb 0.53 -0.15 0.05 0.00 -0.61 0.00 0.00 39.78 39.60 2qbb n ASN 139 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qbb n ASP 140 N 0.20 0.63 -4.60 6.41 8.00 -1.20 -4.32 116.55 121.66 2qbb n ASP 140 Ca 0.00 0.79 -0.34 0.00 0.71 0.00 0.00 54.79 55.95 2qbb n ASP 140 Cb 0.00 -1.38 -0.10 0.00 -0.02 0.00 0.00 41.12 39.62 2qbb n ASP 140 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2qbb s VAL 141 N -1.54 4.62 -0.75 2.53 -7.23 -1.26 0.04 120.40 116.82 2qbb s VAL 141 Ca 0.76 -0.09 -0.07 0.00 -1.81 0.00 0.00 61.98 60.77 2qbb s VAL 141 Cb -0.41 -3.08 0.19 0.00 0.56 0.00 0.00 36.38 33.64 2qbb s VAL 141 CO 0.47 0.46 0.63 -0.69 -0.31 0.00 0.00 175.10 175.65 2qbb s VAL 142 N 0.45 4.58 0.16 1.32 1.01 0.36 -1.55 120.40 126.73 2qbb s VAL 142 Ca 0.02 -2.92 0.01 0.00 0.00 0.00 0.00 61.98 59.10 2qbb s VAL 142 Cb -0.13 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2qbb s VAL 142 CO 0.01 -0.97 0.22 -1.54 0.00 0.00 0.00 175.10 172.82 2qbb n SER 143 N 3.48 0.43 -4.10 3.32 3.41 -0.58 -1.83 113.62 117.74 2qbb n SER 143 Ca 0.12 -1.33 -0.17 0.00 -0.26 0.00 0.00 58.87 57.23 2qbb n SER 143 Cb 0.41 -0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 64.10 2qbb n SER 143 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qbb s ILE 144 N -0.22 0.85 -0.45 -1.33 1.01 -1.20 -2.99 121.20 116.87 2qbb s ILE 144 Ca 0.16 -1.01 -0.28 0.00 0.00 0.00 0.00 60.65 59.52 2qbb s ILE 144 Cb -0.01 -0.82 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 2qbb s ILE 144 CO 0.10 -0.16 1.76 -0.13 0.00 0.00 0.00 174.94 176.51 2qbb s ARG 145 N -1.31 3.10 0.36 2.79 1.81 -0.21 -4.77 118.95 120.71 2qbb s ARG 145 Ca -0.03 1.04 0.17 0.00 -1.72 0.00 0.00 55.73 55.20 2qbb s ARG 145 Cb -0.08 -4.24 1.24 0.00 -0.45 0.00 0.00 34.95 31.41 2qbb s ARG 145 CO 0.01 -2.14 1.57 -0.85 -0.68 0.00 0.00 175.30 173.20 2qbb n GLU 146 N 8.66 -0.06 0.24 3.54 -0.00 -1.26 0.23 120.64 131.99 2qbb n GLU 146 Ca 0.21 1.39 0.13 0.00 -0.00 0.00 0.00 57.16 58.89 2qbb n GLU 146 Cb 0.49 -2.44 0.71 0.00 -0.00 0.00 0.00 31.44 30.19 2qbb n GLU 146 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2qbb h LYS 147 N 0.00 0.00 0.00 3.44 5.09 -1.96 -1.69 116.57 121.45 2qbb h LYS 147 Ca 0.80 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.54 2qbb h LYS 147 Cb 2.06 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.39 2qbb h LYS 147 CO -0.79 0.00 -0.96 0.00 -2.09 0.00 0.00 179.45 175.61 2qbb n ALA 148 N -1.80 1.93 0.20 0.07 0.00 0.61 -4.59 120.51 116.93 2qbb n ALA 148 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.53 2qbb n ALA 148 Cb 0.22 0.09 0.55 0.00 0.00 0.00 0.00 19.45 20.31 2qbb n ALA 148 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qbb n LYS 149 N -1.62 0.14 -1.50 0.00 2.85 0.15 -1.07 118.16 117.12 2qbb n LYS 149 Ca 0.00 0.59 -0.34 0.00 -1.05 0.00 0.00 58.31 57.51 2qbb n LYS 149 Cb 0.18 -1.92 0.07 0.00 -0.65 0.00 0.00 35.03 32.70 2qbb n LYS 149 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2qbb n LYS 150 N -2.22 2.83 -4.90 -1.58 3.00 -1.06 -4.69 118.16 109.53 2qbb n LYS 150 Ca -0.01 -3.45 -0.33 0.00 -0.00 0.00 0.00 58.31 54.53 2qbb n LYS 150 Cb 0.07 -2.29 -0.14 0.00 0.00 0.00 0.00 35.03 32.67 2qbb n LYS 150 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2qbb s GLN 151 N -3.82 2.99 0.13 1.64 -0.21 -0.23 -5.05 119.66 115.11 2qbb s GLN 151 Ca 0.62 -0.73 -0.25 0.00 0.02 0.00 0.00 55.36 55.02 2qbb s GLN 151 Cb 0.49 -2.48 -0.06 0.00 1.00 0.00 0.00 33.01 31.96 2qbb s GLN 151 CO -0.05 0.36 1.44 1.03 -2.12 0.00 0.00 175.29 175.95 2qbb h SER 152 N 6.21 -1.75 -0.94 5.90 0.87 -1.92 -1.25 113.55 120.66 2qbb h SER 152 Ca -0.32 0.27 0.14 0.00 -1.23 0.00 0.00 61.79 60.64 2qbb h SER 152 Cb 1.19 0.77 -0.15 0.00 -0.44 0.00 0.00 62.40 63.78 2qbb h SER 152 CO 0.52 -0.19 -0.38 -2.11 -0.53 0.00 0.00 176.83 174.14 2qbb n ARG 153 N -4.82 -0.23 0.00 2.24 1.85 -1.26 -0.78 116.66 113.65 2qbb n ARG 153 Ca 0.02 1.45 0.00 0.00 -1.00 0.00 0.00 57.85 58.31 2qbb n ARG 153 Cb 0.21 -2.15 0.00 0.00 -1.05 0.00 0.00 32.46 29.48 2qbb n ARG 153 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2qbb n VAL 154 N -5.37 0.00 -0.26 8.89 0.31 -0.47 -1.35 118.33 120.07 2qbb n VAL 154 Ca 0.09 1.02 0.04 0.00 -0.01 0.00 0.00 64.34 65.48 2qbb n VAL 154 Cb 0.37 -1.65 0.17 0.00 -0.91 0.00 0.00 33.84 31.81 2qbb n VAL 154 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2qbb h LYS 155 N 0.00 0.52 -1.14 5.55 -0.00 -1.55 0.37 116.57 120.32 2qbb h LYS 155 Ca 0.00 -0.03 0.33 0.00 -0.00 0.00 0.00 60.65 60.95 2qbb h LYS 155 Cb 0.00 -0.12 -0.05 0.00 -0.00 0.00 0.00 32.23 32.06 2qbb h LYS 155 CO 0.00 0.34 0.81 0.00 -0.00 0.00 0.00 179.45 180.61 2qbb h ALA 156 N 1.50 2.99 -0.08 0.07 0.00 -0.73 0.28 119.26 123.28 2qbb h ALA 156 Ca 0.39 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 2qbb h ALA 156 Cb 0.52 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2qbb h ALA 156 CO -0.34 -1.33 -0.23 0.00 0.00 0.00 0.00 179.25 177.36 2qbb h ALA 157 N 1.45 0.14 0.00 0.00 0.00 0.37 -3.01 119.26 118.20 2qbb h ALA 157 Ca 0.56 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2qbb h ALA 157 Cb 2.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.90 2qbb h ALA 157 CO -0.05 0.11 0.00 -0.07 0.00 0.00 0.00 179.25 179.24 2qbb h LEU 158 N -0.19 0.00 0.12 0.00 4.07 -0.43 -2.19 115.31 116.70 2qbb h LEU 158 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 2qbb h LEU 158 Cb 0.84 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.58 2qbb h LEU 158 CO 0.05 0.00 -0.07 -0.08 -1.08 0.00 0.00 178.44 177.25 2qbb h GLU 159 N 0.00 -0.18 0.00 1.13 4.81 -1.14 0.19 114.58 119.39 2qbb h GLU 159 Ca 0.00 0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 2qbb h GLU 159 Cb 0.17 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 2qbb h GLU 159 CO 0.00 -0.12 -1.06 1.37 -0.73 0.00 0.00 179.01 178.47 2qbb h LEU 160 N -0.19 0.00 -1.48 1.64 -0.00 -1.63 -3.25 115.31 110.40 2qbb h LEU 160 Ca -0.01 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 2qbb h LEU 160 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.81 2qbb h LEU 160 CO 0.01 0.58 -0.26 0.00 -0.00 0.00 0.00 178.44 178.77 2qbb h ALA 161 N 1.42 1.32 -0.12 0.17 0.00 -1.30 0.60 119.26 121.35 2qbb h ALA 161 Ca -0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2qbb h ALA 161 Cb 1.53 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 2qbb h ALA 161 CO 0.06 0.32 -0.19 1.49 0.00 0.00 0.00 179.25 180.93 2qbb h GLU 162 N 0.00 0.19 0.00 0.00 4.81 -0.99 -3.12 114.58 115.47 2qbb h GLU 162 Ca -0.00 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.02 2qbb h GLU 162 Cb 0.54 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 2qbb h GLU 162 CO 0.03 0.38 -0.90 1.96 -0.73 0.00 0.00 179.01 179.76 2qbb h GLN 163 N 0.18 0.00 -6.67 1.92 4.20 -1.27 -3.47 115.11 109.99 2qbb h GLN 163 Ca 0.03 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.17 2qbb h GLN 163 Cb 0.45 0.00 0.16 0.00 0.30 0.00 0.00 27.48 28.38 2qbb h GLN 163 CO 0.03 0.94 -0.05 -2.13 -0.67 0.00 0.00 178.83 176.95 2qbb n ARG 164 N -4.49 0.85 -1.45 1.46 3.00 0.19 -4.83 116.66 111.40 2qbb n ARG 164 Ca -0.25 0.32 -0.47 0.00 -0.00 0.00 0.00 57.85 57.45 2qbb n ARG 164 Cb 0.60 -1.97 -0.03 0.00 0.00 0.00 0.00 32.46 31.06 2qbb n ARG 164 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2qbb n GLU 165 N -0.42 0.35 -3.36 -0.14 4.07 -1.26 -4.85 120.64 115.03 2qbb n GLU 165 Ca 0.12 0.12 -0.26 0.00 -0.06 0.00 0.00 57.16 57.09 2qbb n GLU 165 Cb 0.45 -1.23 -0.02 0.00 -0.06 0.00 0.00 31.44 30.59 2qbb n GLU 165 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2qbb s LYS 166 N -1.11 3.53 0.00 5.31 1.02 -1.26 -5.02 119.74 122.21 2qbb s LYS 166 Ca 0.63 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 56.41 2qbb s LYS 166 Cb -0.88 -2.66 0.00 0.00 -0.52 0.00 0.00 37.83 33.77 2qbb s LYS 166 CO 0.57 0.17 0.00 -0.35 -0.92 0.00 0.00 175.35 174.82 2qbb n PRO 167 N -1.45 3.31 0.00 -1.68 -0.04 -1.26 -5.06 135.00 128.82 2qbb n PRO 167 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 2qbb n PRO 167 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 2qbb n PRO 167 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2qbb n THR 168 N 0.00 0.00 -1.57 0.52 -2.24 -1.26 -4.98 114.28 104.76 2qbb n THR 168 Ca 0.00 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.83 2qbb n THR 168 Cb 0.00 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.32 2qbb n THR 168 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2qbb n TRP 169 N 0.00 0.00 -3.63 4.78 2.14 -1.26 -4.97 117.44 114.50 2qbb n TRP 169 Ca 0.00 -0.64 -0.13 0.00 2.07 0.00 0.00 57.50 58.81 2qbb n TRP 169 Cb 0.08 -0.12 -0.07 0.00 -0.81 0.00 0.00 31.31 30.39 2qbb n TRP 169 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 2qbb s LEU 170 N -1.63 -0.66 0.02 5.67 2.34 -1.26 -1.26 118.68 121.89 2qbb s LEU 170 Ca 0.21 1.26 -0.01 0.00 0.06 0.00 0.00 54.13 55.64 2qbb s LEU 170 Cb 0.19 2.30 -0.04 0.00 -0.56 0.00 0.00 46.19 48.08 2qbb s LEU 170 CO -0.00 -0.23 0.19 -1.61 -1.06 0.00 0.00 176.35 173.63 2qbb s GLU 171 N 0.28 3.41 -0.19 1.48 2.02 -0.07 -4.87 118.70 120.76 2qbb s GLU 171 Ca 0.01 -0.39 -0.04 0.00 0.02 0.00 0.00 54.97 54.57 2qbb s GLU 171 Cb -0.05 -3.05 0.08 0.00 0.10 0.00 0.00 34.13 31.21 2qbb s GLU 171 CO -0.01 0.64 0.18 0.54 0.02 0.00 0.00 175.26 176.64 2qbb s VAL 172 N -1.40 -0.26 -1.39 2.63 0.11 -1.26 0.68 120.40 119.51 2qbb s VAL 172 Ca 0.30 -0.09 -0.12 0.00 -2.93 0.00 0.00 61.98 59.14 2qbb s VAL 172 Cb -0.13 -0.62 0.09 0.00 -1.53 0.00 0.00 36.38 34.19 2qbb s VAL 172 CO 0.23 -0.20 2.09 -0.67 -3.33 0.00 0.00 175.10 173.22 2qbb n ASP 173 N 5.31 4.35 -0.59 3.54 -0.08 -1.09 -4.78 116.55 123.21 2qbb n ASP 173 Ca -0.06 -2.95 0.45 0.00 -1.51 0.00 0.00 54.79 50.73 2qbb n ASP 173 Cb 0.49 -1.59 0.71 0.00 2.34 0.00 0.00 41.12 43.07 2qbb n ASP 173 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qbb n ALA 174 N 5.23 1.60 0.00 -1.67 0.00 -1.26 -1.70 120.51 122.71 2qbb n ALA 174 Ca 0.47 0.63 -0.00 0.00 0.00 0.00 0.00 53.44 54.54 2qbb n ALA 174 Cb 0.38 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.82 2qbb n ALA 174 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qbb h GLY 175 N 0.00 -1.12 -2.36 0.00 0.00 -1.95 -2.93 103.07 94.70 2qbb h GLY 175 Ca 0.83 0.49 0.00 0.00 0.00 0.00 0.00 47.33 48.65 2qbb h GLY 175 CO -0.10 -0.43 0.00 0.58 0.00 0.00 0.00 176.54 176.59 2qbb n LYS 176 N -2.48 3.10 -3.20 4.80 2.85 -0.69 -4.94 118.16 117.60 2qbb n LYS 176 Ca -0.00 -1.83 -0.10 0.00 -1.05 0.00 0.00 58.31 55.33 2qbb n LYS 176 Cb 0.01 -1.85 0.04 0.00 -0.65 0.00 0.00 35.03 32.58 2qbb n LYS 176 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2qbb n MET 177 N 0.46 -1.78 -4.59 -1.58 2.81 -0.82 -4.88 117.12 106.73 2qbb n MET 177 Ca 0.16 1.12 -0.27 0.00 -1.81 0.00 0.00 57.70 56.90 2qbb n MET 177 Cb 0.74 -5.64 -0.10 0.00 -0.71 0.00 0.00 33.22 27.51 2qbb n MET 177 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2qbb s GLU 178 N -3.89 1.93 -0.14 0.03 2.02 -1.11 -3.23 118.70 114.30 2qbb s GLU 178 Ca 0.25 -2.14 -0.29 0.00 0.02 0.00 0.00 54.97 52.81 2qbb s GLU 178 Cb -0.04 -1.24 0.10 0.00 0.10 0.00 0.00 34.13 33.04 2qbb s GLU 178 CO 0.75 -0.23 0.84 0.20 0.02 0.00 0.00 175.26 176.84 2qbb s GLY 179 N -3.67 -0.42 -0.01 -1.39 0.00 -0.76 -2.68 107.32 98.39 2qbb s GLY 179 Ca 0.27 1.81 -0.01 0.00 0.00 0.00 0.00 44.72 46.78 2qbb s GLY 179 CO 0.13 1.17 0.02 -1.59 0.00 0.00 0.00 173.10 172.84 2qbb s THR 180 N -0.82 -0.00 -1.04 0.90 2.01 0.21 0.14 115.64 117.04 2qbb s THR 180 Ca -0.05 0.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.81 2qbb s THR 180 Cb -0.01 -0.04 0.18 0.00 0.01 0.00 0.00 72.50 72.63 2qbb s THR 180 CO 0.04 0.00 1.18 0.12 -0.69 0.00 0.00 174.62 175.28 2qbb s PHE 181 N 0.04 3.50 0.09 4.92 5.36 0.11 -0.90 117.98 131.10 2qbb s PHE 181 Ca -0.00 -1.91 -0.24 0.00 -0.96 0.00 0.00 56.93 53.82 2qbb s PHE 181 Cb -0.00 -4.17 -0.08 0.00 -0.34 0.00 0.00 43.02 38.43 2qbb s PHE 181 CO -0.00 -1.31 1.40 0.87 -1.46 0.00 0.00 175.22 174.71 2qbb h LYS 182 N 7.81 -0.28 -2.23 10.12 1.57 -1.50 1.50 116.57 133.56 2qbb h LYS 182 Ca 0.21 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.18 2qbb h LYS 182 Cb 0.95 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.22 2qbb h LYS 182 CO 1.09 -0.19 0.52 -0.98 -0.57 0.00 0.00 179.45 179.32 2qbb s ARG 183 N -4.90 1.00 0.12 3.15 1.04 -0.78 -4.15 118.95 114.42 2qbb s ARG 183 Ca -0.10 -0.50 -0.35 0.00 -1.04 0.00 0.00 55.73 53.73 2qbb s ARG 183 Cb 0.06 0.37 -0.16 0.00 -2.04 0.00 0.00 34.95 33.18 2qbb s ARG 183 CO 0.44 -0.45 1.32 1.63 -0.04 0.00 0.00 175.30 178.20 2qbb n LYS 184 N -0.39 1.27 -2.21 3.89 4.76 -1.26 -4.75 118.16 119.46 2qbb n LYS 184 Ca -0.07 0.46 -0.37 0.00 -2.87 0.00 0.00 58.31 55.46 2qbb n LYS 184 Cb 0.61 -2.07 -0.03 0.00 -1.84 0.00 0.00 35.03 31.69 2qbb n LYS 184 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2qbb s PRO 185 N 0.26 2.84 0.62 1.97 0.04 -1.26 -4.96 135.00 134.51 2qbb s PRO 185 Ca 0.80 0.03 -0.18 0.00 0.04 0.00 0.00 61.00 61.69 2qbb s PRO 185 Cb -0.89 -4.60 -0.05 0.00 0.04 0.00 0.00 34.50 29.00 2qbb s PRO 185 CO 0.47 -2.69 0.89 -1.91 0.04 0.00 0.00 177.00 173.80 2qbb n GLU 186 N 9.13 0.77 0.19 4.56 0.00 -1.26 -4.41 120.64 129.61 2qbb n GLU 186 Ca 0.22 0.30 0.08 0.00 0.00 0.00 0.00 57.16 57.77 2qbb n GLU 186 Cb 0.50 -2.10 0.45 0.00 0.00 0.00 0.00 31.44 30.29 2qbb n GLU 186 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2qbb h ARG 187 N 0.33 0.00 0.44 5.31 9.65 -1.93 0.25 114.38 128.43 2qbb h ARG 187 Ca -0.48 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.38 2qbb h ARG 187 Cb 1.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.95 2qbb h ARG 187 CO 0.49 0.00 -0.21 0.77 2.80 0.00 0.00 179.97 183.82 2qbb h SER 188 N 0.00 -0.50 0.74 -3.80 0.02 -2.00 -3.35 113.55 104.65 2qbb h SER 188 Ca 0.00 -0.03 -0.25 0.00 -0.84 0.00 0.00 61.79 60.66 2qbb h SER 188 Cb 0.53 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2qbb h SER 188 CO 0.00 -0.07 -1.21 -2.24 -1.14 0.00 0.00 176.83 172.17 2qbb h ASP 189 N -1.11 0.24 -3.30 3.07 3.04 -1.70 -3.38 116.42 113.27 2qbb h ASP 189 Ca -0.06 -0.27 -0.79 0.00 -3.24 0.00 0.00 57.03 52.66 2qbb h ASP 189 Cb 0.50 -0.08 -0.26 0.00 -1.04 0.00 0.00 39.33 38.45 2qbb h ASP 189 CO 0.10 1.22 0.63 -0.11 -2.04 0.00 0.00 179.24 179.03 2qbb n LEU 190 N -3.43 5.54 0.00 0.15 -0.00 0.01 -4.93 117.00 114.33 2qbb n LEU 190 Ca -0.07 -4.96 0.00 0.00 -0.00 0.00 0.00 56.01 50.99 2qbb n LEU 190 Cb 1.00 -1.49 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 2qbb n LEU 190 CO 0.51 1.27 0.00 -1.54 -0.00 0.00 0.00 177.39 177.63 2qbb n SER 191 N 3.07 0.00 0.00 1.96 3.41 -1.26 -4.48 113.62 116.32 2qbb n SER 191 Ca 0.26 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2qbb n SER 191 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 2qbb n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qbb n ALA 192 N -3.00 0.00 -1.31 7.33 0.00 -1.26 -4.97 120.51 117.31 2qbb n ALA 192 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 2qbb n ALA 192 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2qbb n ALA 192 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qbb n ASP 193 N 0.17 6.18 -3.61 0.00 8.00 -1.26 -4.66 116.55 121.37 2qbb n ASP 193 Ca 0.00 -2.86 -0.27 0.00 0.71 0.00 0.00 54.79 52.37 2qbb n ASP 193 Cb 0.00 -1.34 -0.11 0.00 -0.02 0.00 0.00 41.12 39.66 2qbb n ASP 193 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qbb n ILE 194 N 1.77 0.35 -1.62 0.53 3.06 -1.26 -5.07 119.36 117.11 2qbb n ILE 194 Ca 0.49 -4.23 -0.42 0.00 -2.50 0.00 0.00 62.75 56.09 2qbb n ILE 194 Cb 0.67 -1.94 -0.03 0.00 0.54 0.00 0.00 39.64 38.88 2qbb n ILE 194 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2qbb s ASN 195 N -0.88 5.29 0.16 9.51 2.20 -1.26 -4.86 114.94 125.09 2qbb s ASN 195 Ca 0.30 1.72 -0.10 0.00 -0.94 0.00 0.00 52.86 53.84 2qbb s ASN 195 Cb 0.02 -2.51 0.01 0.00 -2.00 0.00 0.00 41.25 36.77 2qbb s ASN 195 CO -0.17 -2.12 1.54 1.05 -2.94 0.00 0.00 177.10 174.46 2qbb h GLU 196 N 15.78 0.97 -0.96 3.55 9.09 -1.95 -3.26 114.58 137.80 2qbb h GLU 196 Ca -0.38 -0.44 0.40 0.00 0.05 0.00 0.00 59.36 58.99 2qbb h GLU 196 Cb 1.24 -0.02 -0.17 0.00 -1.65 0.00 0.00 28.75 28.15 2qbb h GLU 196 CO 1.00 1.11 0.52 -2.39 0.05 0.00 0.00 179.01 179.29 2qbb n HIS 197 N -4.09 1.10 -0.32 2.06 1.44 -1.26 0.11 115.22 114.26 2qbb n HIS 197 Ca -0.01 1.11 0.20 0.00 -2.01 0.00 0.00 57.72 57.02 2qbb n HIS 197 Cb 0.48 -1.52 0.47 0.00 0.12 0.00 0.00 29.99 29.55 2qbb n HIS 197 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2qbb h LEU 198 N 0.00 0.51 0.17 2.39 5.85 -1.97 -0.12 115.31 122.13 2qbb h LEU 198 Ca 0.81 0.08 -0.31 0.00 0.84 0.00 0.00 57.88 59.30 2qbb h LEU 198 Cb 2.15 -0.00 0.01 0.00 0.37 0.00 0.00 40.66 43.18 2qbb h LEU 198 CO -0.73 0.13 -1.48 0.16 -0.34 0.00 0.00 178.44 176.19 2qbb h ILE 199 N 0.47 1.25 -0.00 4.05 3.07 0.51 -2.78 117.51 124.07 2qbb h ILE 199 Ca 0.57 -2.80 0.00 0.00 1.55 0.00 0.00 64.86 64.18 2qbb h ILE 199 Cb 1.33 2.88 -0.00 0.00 -0.27 0.00 0.00 36.82 40.76 2qbb h ILE 199 CO -0.30 0.84 0.00 -0.37 -1.05 0.00 0.00 178.15 177.28 2qbb h VAL 200 N 0.10 0.21 0.04 0.16 -1.51 -0.87 -1.11 116.25 113.27 2qbb h VAL 200 Ca -0.23 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.09 2qbb h VAL 200 Cb 2.06 1.00 -0.01 0.00 -2.13 0.00 0.00 31.29 32.21 2qbb h VAL 200 CO 0.21 0.00 -0.78 -0.33 -1.23 0.00 0.00 177.57 175.44 2qbb h GLU 201 N 0.00 0.09 -0.82 5.19 5.08 -1.26 -3.33 114.58 119.53 2qbb h GLU 201 Ca 0.00 -0.15 0.22 0.00 -1.00 0.00 0.00 59.36 58.43 2qbb h GLU 201 Cb 0.01 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2qbb h GLU 201 CO -0.00 1.07 0.57 1.25 -1.00 0.00 0.00 179.01 180.90 2qbb h LEU 202 N -0.77 0.13 -3.00 1.33 5.85 -0.96 0.24 115.31 118.12 2qbb h LEU 202 Ca -0.19 0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.34 2qbb h LEU 202 Cb 1.33 -0.01 -0.11 0.00 0.37 0.00 0.00 40.66 42.25 2qbb h LEU 202 CO -0.03 0.05 0.27 -1.22 -0.34 0.00 0.00 178.44 177.17 2qbb n TYR 203 N -4.37 1.11 -1.89 1.25 0.53 -0.57 -3.21 117.16 110.01 2qbb n TYR 203 Ca 0.17 -1.32 0.00 0.00 -1.02 0.00 0.00 57.90 55.73 2qbb n TYR 203 Cb 0.80 -0.65 0.00 0.00 -1.03 0.00 0.00 39.34 38.46 2qbb n TYR 203 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2qbb n SER 204 N 0.25 0.00 0.00 7.72 7.64 0.83 -5.04 113.62 125.02 2qbb n SER 204 Ca 0.22 -1.01 0.01 0.00 1.01 0.00 0.00 58.87 59.09 2qbb n SER 204 Cb 0.75 -0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.98 2qbb n SER 204 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20