#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g88 n PHE 2 N 0.00 -1.87 -1.82 2.03 0.99 -1.26 -5.03 117.46 110.50 3g88 n PHE 2 Ca 0.00 1.10 0.00 0.00 -0.00 0.00 0.00 57.45 58.55 3g88 n PHE 2 Cb 0.00 -2.15 0.00 0.00 -1.00 0.00 0.00 39.48 36.33 3g88 n PHE 2 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3g88 n GLY 4 N 2.08 -3.28 3.53 1.37 0.00 -1.26 -4.01 105.19 103.62 3g88 n GLY 4 Ca -0.08 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 3g88 n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g88 s LYS 5 N -1.20 2.41 0.00 1.61 1.02 -1.26 -0.72 119.74 121.60 3g88 s LYS 5 Ca 0.00 -0.79 0.06 0.00 0.02 0.00 0.00 55.97 55.26 3g88 s LYS 5 Cb 0.00 -2.39 -0.02 0.00 -0.52 0.00 0.00 37.83 34.91 3g88 s LYS 5 CO 0.00 0.59 -0.19 -1.01 -0.92 0.00 0.00 175.35 173.82 3g88 s HIS 6 N -0.91 1.69 0.17 3.18 3.76 -1.26 -4.95 115.29 116.96 3g88 s HIS 6 Ca 0.15 -0.33 0.16 0.00 -0.15 0.00 0.00 55.06 54.89 3g88 s HIS 6 Cb -0.11 -1.06 0.55 0.00 1.11 0.00 0.00 32.58 33.07 3g88 s HIS 6 CO 0.05 0.01 1.68 -1.35 -0.85 0.00 0.00 174.74 174.28 3g88 h PRO 7 N 5.41 0.00 -0.13 8.40 0.11 -2.00 -3.38 132.00 140.41 3g88 h PRO 7 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3g88 h PRO 7 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3g88 h PRO 7 CO 0.47 0.45 0.00 0.41 -0.21 0.00 0.00 178.00 179.12 3g88 n GLY 8 N 0.33 4.07 0.00 -0.55 0.00 -1.26 -5.06 105.19 102.72 3g88 n GLY 8 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 3g88 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g88 n GLY 9 N -0.76 1.29 3.76 -0.02 0.00 -1.26 -4.76 105.19 103.45 3g88 n GLY 9 Ca 0.15 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 3g88 n GLY 9 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g88 s LEU 10 N 0.00 4.39 1.11 0.99 1.43 -1.26 -4.77 118.68 120.56 3g88 s LEU 10 Ca 0.00 2.77 -0.14 0.00 -1.03 0.00 0.00 54.13 55.72 3g88 s LEU 10 Cb 0.00 -3.64 0.25 0.00 0.03 0.00 0.00 46.19 42.82 3g88 s LEU 10 CO 0.00 -0.68 1.07 -0.94 0.23 0.00 0.00 176.35 176.03 3g88 s SER 11 N -0.06 1.62 0.22 2.29 1.04 -1.26 -4.70 113.70 112.84 3g88 s SER 11 Ca 0.54 1.12 -0.08 0.00 0.48 0.00 0.00 55.95 58.01 3g88 s SER 11 Cb -0.42 -1.73 0.26 0.00 0.10 0.00 0.00 66.02 64.23 3g88 s SER 11 CO 0.51 -3.75 1.82 -0.08 0.98 0.00 0.00 173.24 172.72 3g88 h GLU 12 N -2.32 0.73 -0.46 4.02 4.81 -1.23 -0.42 114.58 119.71 3g88 h GLU 12 Ca -0.55 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.57 3g88 h GLU 12 Cb 1.33 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 3g88 h GLU 12 CO 0.51 0.48 0.02 -0.09 -0.73 0.00 0.00 179.01 179.20 3g88 h ARG 13 N 0.75 0.80 -0.52 1.92 2.43 -1.76 -1.96 114.38 116.04 3g88 h ARG 13 Ca 0.32 -0.24 0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3g88 h ARG 13 Cb 0.19 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.61 3g88 h ARG 13 CO -0.18 0.84 0.27 0.78 -1.51 0.00 0.00 179.97 180.17 3g88 h GLY 14 N 0.65 0.73 0.97 2.80 0.00 -1.75 0.41 103.07 106.89 3g88 h GLY 14 Ca 0.13 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3g88 h GLY 14 CO 0.02 0.12 0.19 3.21 0.00 0.00 0.00 176.54 180.08 3g88 h ARG 15 N 0.52 0.76 -0.59 4.80 3.08 -1.02 -2.16 114.38 119.77 3g88 h ARG 15 Ca 0.23 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3g88 h ARG 15 Cb 0.13 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3g88 h ARG 15 CO -0.16 0.69 0.27 0.00 -1.07 0.00 0.00 179.97 179.70 3g88 h ALA 16 N 1.04 0.76 -0.71 0.04 0.00 -0.96 -1.70 119.26 117.74 3g88 h ALA 16 Ca 0.17 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3g88 h ALA 16 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3g88 h ALA 16 CO -0.01 0.35 0.47 -0.07 0.00 0.00 0.00 179.25 179.98 3g88 h LEU 17 N 0.81 0.81 -0.32 0.00 3.38 -0.80 -0.06 115.31 119.14 3g88 h LEU 17 Ca 0.20 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3g88 h LEU 17 Cb 0.15 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3g88 h LEU 17 CO -0.02 0.59 0.05 0.25 0.09 0.00 0.00 178.44 179.40 3g88 h LEU 18 N 0.96 0.51 -0.56 1.67 5.85 -1.19 -0.23 115.31 122.32 3g88 h LEU 18 Ca 0.26 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3g88 h LEU 18 Cb -0.11 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.76 3g88 h LEU 18 CO -0.06 0.64 0.23 -0.07 -0.34 0.00 0.00 178.44 178.84 3g88 h LEU 19 N 0.36 0.78 -0.18 2.25 3.38 -1.07 0.15 115.31 120.97 3g88 h LEU 19 Ca 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3g88 h LEU 19 Cb 0.35 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3g88 h LEU 19 CO 0.01 0.73 0.03 -0.08 0.09 0.00 0.00 178.44 179.21 3g88 h GLU 20 N 0.77 0.30 -0.81 1.13 4.81 -0.93 -1.16 114.58 118.69 3g88 h GLU 20 Ca 0.19 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3g88 h GLU 20 Cb 0.20 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3g88 h GLU 20 CO -0.02 0.47 0.53 0.78 -0.73 0.00 0.00 179.01 180.05 3g88 h GLY 21 N 0.09 1.14 0.84 1.92 0.00 -0.90 -1.85 103.07 104.30 3g88 h GLY 21 Ca 0.05 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.99 3g88 h GLY 21 CO 0.00 0.40 0.14 -1.33 0.00 0.00 0.00 176.54 175.75 3g88 h GLY 22 N 1.08 0.39 1.00 4.60 0.00 -0.38 -2.55 103.07 107.20 3g88 h GLY 22 Ca 0.30 -0.09 0.01 0.00 0.00 0.00 0.00 47.33 47.55 3g88 h GLY 22 CO -0.07 0.07 0.63 0.50 0.00 0.00 0.00 176.54 177.67 3g88 h LYS 23 N 0.29 1.25 0.00 4.80 1.57 -0.89 0.26 116.57 123.85 3g88 h LYS 23 Ca 0.13 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3g88 h LYS 23 Cb 0.06 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.08 3g88 h LYS 23 CO -0.10 0.83 -0.07 0.00 -0.57 0.00 0.00 179.45 179.54 3g88 h ALA 24 N 1.35 1.66 -0.01 3.86 0.00 -0.95 -0.39 119.26 124.78 3g88 h ALA 24 Ca 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3g88 h ALA 24 Cb -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3g88 h ALA 24 CO -0.08 0.08 -0.19 1.28 0.00 0.00 0.00 179.25 180.34 3g88 n LEU 25 N -4.12 0.85 0.00 0.00 4.77 -0.58 -4.93 117.00 112.99 3g88 n LEU 25 Ca -0.03 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3g88 n LEU 25 Cb 0.15 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3g88 n LEU 25 CO 0.32 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3g88 n GLY 26 N 1.31 0.71 3.43 -0.72 0.00 -0.16 -4.89 105.19 104.87 3g88 n GLY 26 Ca 0.13 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 3g88 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g88 s LEU 27 N 0.00 2.50 -0.45 0.99 1.43 -0.02 -4.98 118.68 118.15 3g88 s LEU 27 Ca 0.00 -0.41 -0.14 0.00 -1.03 0.00 0.00 54.13 52.55 3g88 s LEU 27 Cb 0.00 -1.47 0.07 0.00 0.03 0.00 0.00 46.19 44.81 3g88 s LEU 27 CO 0.00 0.28 0.35 -0.62 0.23 0.00 0.00 176.35 176.59 3g88 s ASP 28 N -1.19 6.02 0.00 2.29 2.15 -1.26 -2.61 116.67 122.07 3g88 s ASP 28 Ca 0.13 -1.29 0.25 0.00 0.43 0.00 0.00 52.55 52.07 3g88 s ASP 28 Cb -0.10 -2.13 0.76 0.00 -0.30 0.00 0.00 42.92 41.14 3g88 s ASP 28 CO 0.03 -0.59 1.57 0.18 -0.17 0.00 0.00 175.17 176.20 3g88 n LEU 29 N 5.13 2.00 -0.27 -1.34 4.77 -1.26 -4.30 117.00 121.73 3g88 n LEU 29 Ca -0.12 -0.73 0.06 0.00 -0.03 0.00 0.00 56.01 55.19 3g88 n LEU 29 Cb 0.44 -0.05 0.20 0.00 -2.33 0.00 0.00 43.42 41.69 3g88 n LEU 29 CO 0.44 0.37 1.04 0.11 -1.33 0.00 0.00 177.39 178.02 3g88 h LYS 30 N 2.95 0.47 0.00 3.23 1.57 -1.95 0.64 116.57 123.48 3g88 h LYS 30 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3g88 h LYS 30 Cb 0.63 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3g88 h LYS 30 CO 0.00 0.31 0.00 -2.30 -0.57 0.00 0.00 179.45 176.89 3g88 n PRO 31 N -4.97 0.17 -0.04 3.15 -0.02 -1.26 -2.92 135.00 129.11 3g88 n PRO 31 Ca 0.16 0.50 0.02 0.00 -2.02 0.00 0.00 63.50 62.15 3g88 n PRO 31 Cb 0.44 -1.89 0.04 0.00 -0.02 0.00 0.00 33.50 32.06 3g88 n PRO 31 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3g88 n HIS 32 N -2.22 0.09 -0.24 6.00 8.25 0.11 -4.73 115.22 122.48 3g88 n HIS 32 Ca 0.01 -0.28 -0.04 0.00 -0.26 0.00 0.00 57.72 57.15 3g88 n HIS 32 Cb 0.15 -0.02 0.07 0.00 1.12 0.00 0.00 29.99 31.31 3g88 n HIS 32 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3g88 h LEU 33 N 0.76 0.72 -0.70 2.41 5.85 -1.13 -0.80 115.31 122.42 3g88 h LEU 33 Ca 0.00 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 3g88 h LEU 33 Cb 0.40 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 3g88 h LEU 33 CO 0.00 0.50 -0.52 -0.33 -0.34 0.00 0.00 178.44 177.75 3g88 h GLU 34 N 0.86 0.34 -0.34 1.25 4.39 -1.85 -0.63 114.58 118.61 3g88 h GLU 34 Ca 0.27 -0.20 -0.05 0.00 0.34 0.00 0.00 59.36 59.72 3g88 h GLU 34 Cb -0.00 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3g88 h GLU 34 CO -0.10 0.78 0.01 0.00 -1.16 0.00 0.00 179.01 178.54 3g88 h ALA 35 N 1.18 0.46 -0.56 3.43 0.00 -1.77 -0.64 119.26 121.36 3g88 h ALA 35 Ca 0.01 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3g88 h ALA 35 Cb 1.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3g88 h ALA 35 CO 0.09 0.21 0.14 0.74 0.00 0.00 0.00 179.25 180.42 3g88 h PHE 36 N 0.40 0.88 -0.33 0.00 0.04 -1.03 0.36 116.94 117.26 3g88 h PHE 36 Ca 0.10 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 3g88 h PHE 36 Cb 0.44 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3g88 h PHE 36 CO 0.03 0.74 0.14 1.03 -0.60 0.00 0.00 178.31 179.65 3g88 h SER 37 N 0.83 0.45 -0.80 2.17 0.87 -0.95 0.05 113.55 116.16 3g88 h SER 37 Ca 0.18 -0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 3g88 h SER 37 Cb 0.29 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.10 3g88 h SER 37 CO -0.00 0.48 0.34 -0.09 -0.53 0.00 0.00 176.83 177.03 3g88 h ARG 38 N 0.39 1.19 -0.65 2.24 9.65 -0.87 -0.72 114.38 125.61 3g88 h ARG 38 Ca 0.11 -0.20 -0.06 0.00 -1.10 0.00 0.00 59.98 58.73 3g88 h ARG 38 Cb 0.16 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.51 3g88 h ARG 38 CO -0.01 0.94 0.18 1.25 2.80 0.00 0.00 179.97 185.13 3g88 h LEU 39 N 1.16 0.97 -0.52 3.80 5.85 -0.65 -0.59 115.31 125.33 3g88 h LEU 39 Ca 0.27 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 3g88 h LEU 39 Cb 0.18 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 3g88 h LEU 39 CO -0.03 0.94 0.31 0.22 -0.34 0.00 0.00 178.44 179.54 3g88 h TYR 40 N 0.96 0.69 -0.93 1.25 3.20 -0.57 -1.16 116.97 120.41 3g88 h TYR 40 Ca 0.21 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3g88 h TYR 40 Cb 0.33 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 3g88 h TYR 40 CO 0.02 0.48 0.53 0.00 -1.64 0.00 0.00 178.16 177.56 3g88 h ALA 41 N 1.15 1.19 -0.82 1.82 0.00 -0.79 -1.47 119.26 120.34 3g88 h ALA 41 Ca 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3g88 h ALA 41 Cb -0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 3g88 h ALA 41 CO -0.03 0.67 0.45 -0.07 0.00 0.00 0.00 179.25 180.26 3g88 h LEU 42 N 1.29 1.02 -0.84 0.00 3.38 -0.70 0.29 115.31 119.75 3g88 h LEU 42 Ca 0.33 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3g88 h LEU 42 Cb -0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3g88 h LEU 42 CO -0.06 0.83 0.11 -0.07 0.09 0.00 0.00 178.44 179.34 3g88 h LEU 43 N 1.14 0.93 -0.21 1.67 3.38 -0.77 -0.30 115.31 121.14 3g88 h LEU 43 Ca 0.29 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3g88 h LEU 43 Cb 0.03 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3g88 h LEU 43 CO -0.05 0.92 -0.10 1.56 0.09 0.00 0.00 178.44 180.87 3g88 h GLN 44 N 0.92 0.44 -0.76 1.13 1.08 -0.85 -2.98 115.11 114.09 3g88 h GLN 44 Ca 0.19 -0.19 0.08 0.00 -1.45 0.00 0.00 58.65 57.28 3g88 h GLN 44 Cb 0.39 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.76 3g88 h GLN 44 CO 0.01 0.72 0.50 1.49 -0.95 0.00 0.00 178.83 180.59 3g88 h GLU 45 N 0.14 0.72 -0.03 1.46 4.81 -0.16 -3.51 114.58 118.01 3g88 h GLU 45 Ca 0.05 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3g88 h GLU 45 Cb 0.58 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3g88 h GLU 45 CO 0.03 0.47 -0.04 0.00 -0.73 0.00 0.00 179.01 178.74 3g88 h ALA 46 N 1.60 0.05 0.00 2.92 0.00 -0.90 -3.51 119.26 119.42 3g88 h ALA 46 Ca 0.34 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3g88 h ALA 46 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3g88 h ALA 46 CO -0.12 -0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.36 3g88 n GLU 58 N -4.77 0.00 -0.19 0.00 1.02 -1.26 -5.09 120.64 110.35 3g88 n GLU 58 Ca -0.08 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 56.98 3g88 n GLU 58 Cb 0.29 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.73 3g88 n GLU 58 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3g88 h GLU 59 N 0.00 0.78 -0.99 3.49 4.81 -2.03 -2.66 114.58 117.99 3g88 h GLU 59 Ca 0.00 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.13 3g88 h GLU 59 Cb 0.00 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 3g88 h GLU 59 CO 0.00 0.65 0.65 1.49 -0.73 0.00 0.00 179.01 181.07 3g88 h GLU 60 N 0.72 1.27 -0.32 1.92 4.81 -1.99 -1.02 114.58 119.97 3g88 h GLU 60 Ca 0.18 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 59.36 3g88 h GLU 60 Cb 0.13 -0.29 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3g88 h GLU 60 CO -0.02 0.84 0.16 0.28 -0.73 0.00 0.00 179.01 179.54 3g88 h VAL 61 N 1.31 0.99 -0.38 0.32 2.07 -1.94 -1.58 116.25 117.04 3g88 h VAL 61 Ca 0.37 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.76 3g88 h VAL 61 Cb -0.10 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3g88 h VAL 61 CO -0.09 0.06 0.19 0.58 0.02 0.00 0.00 177.57 178.33 3g88 h VAL 62 N 0.34 1.17 -0.78 2.57 2.07 -1.09 -2.20 116.25 118.32 3g88 h VAL 62 Ca 0.13 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3g88 h VAL 62 Cb 0.04 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3g88 h VAL 62 CO -0.09 0.18 0.51 0.58 0.02 0.00 0.00 177.57 178.77 3g88 h VAL 63 N 0.48 1.11 -0.67 2.57 2.07 -1.00 -0.30 116.25 120.50 3g88 h VAL 63 Ca 0.13 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 3g88 h VAL 63 Cb 0.11 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 3g88 h VAL 63 CO -0.02 0.17 0.20 0.11 0.02 0.00 0.00 177.57 178.06 3g88 h LYS 64 N 0.93 1.03 -0.72 1.57 1.57 -1.06 -0.67 116.57 119.22 3g88 h LYS 64 Ca 0.32 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3g88 h LYS 64 Cb 0.08 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3g88 h LYS 64 CO -0.10 0.88 0.25 0.45 -0.57 0.00 0.00 179.45 180.37 3g88 h HIS 65 N 0.99 1.11 -0.17 -1.35 3.86 -0.54 0.33 115.15 119.38 3g88 h HIS 65 Ca 0.22 -0.09 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 3g88 h HIS 65 Cb 0.29 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 3g88 h HIS 65 CO 0.02 0.86 0.11 0.74 0.86 0.00 0.00 177.93 180.53 3g88 h PHE 66 N 1.05 0.22 -0.30 2.45 0.04 -0.76 -1.89 116.94 117.75 3g88 h PHE 66 Ca 0.24 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.88 3g88 h PHE 66 Cb 0.25 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.33 3g88 h PHE 66 CO 0.02 0.14 -0.32 -0.07 -0.60 0.00 0.00 178.31 177.47 3g88 h LEU 67 N 0.23 0.80 -0.55 1.54 3.38 -0.77 -1.94 115.31 118.01 3g88 h LEU 67 Ca 0.06 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.60 3g88 h LEU 67 Cb -0.03 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3g88 h LEU 67 CO -0.02 1.12 0.29 -0.78 0.09 0.00 0.00 178.44 179.14 3g88 h ASP 68 N 0.50 0.42 -0.84 -0.43 3.58 -0.34 -1.70 116.42 117.60 3g88 h ASP 68 Ca 0.04 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.55 3g88 h ASP 68 Cb 0.90 -0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.85 3g88 h ASP 68 CO 0.08 0.28 0.54 0.28 -2.88 0.00 0.00 179.24 177.55 3g88 h SER 69 N 0.55 0.90 0.73 2.28 0.02 -1.17 -2.22 113.55 114.65 3g88 h SER 69 Ca 0.24 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3g88 h SER 69 Cb 0.14 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.47 3g88 h SER 69 CO -0.16 0.62 0.00 0.18 -1.14 0.00 0.00 176.83 176.33 3g88 n LEU 70 N -4.56 0.38 0.33 5.07 4.77 -0.70 -2.52 117.00 119.77 3g88 n LEU 70 Ca 0.10 0.58 0.21 0.00 -0.03 0.00 0.00 56.01 56.88 3g88 n LEU 70 Cb 0.09 -0.52 1.16 0.00 -2.33 0.00 0.00 43.42 41.82 3g88 n LEU 70 CO 0.34 -0.37 1.18 0.71 -1.33 0.00 0.00 177.39 177.92 3g88 h THR 71 N 0.00 0.08 -0.82 -5.08 1.35 -0.75 -1.32 112.91 106.36 3g88 h THR 71 Ca 0.00 0.00 0.20 0.00 -0.55 0.00 0.00 66.41 66.06 3g88 h THR 71 Cb 0.37 0.98 -0.05 0.00 -1.73 0.00 0.00 68.15 67.71 3g88 h THR 71 CO 0.00 0.00 0.56 -0.07 -0.25 0.00 0.00 175.52 175.76 3g88 h LEU 72 N 0.00 0.26 0.00 3.87 3.38 -1.68 -0.48 115.31 120.66 3g88 h LEU 72 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3g88 h LEU 72 Cb 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3g88 h LEU 72 CO -0.00 0.11 0.00 0.18 0.09 0.00 0.00 178.44 178.82 3g88 n LEU 73 N -4.43 0.00 0.00 1.67 4.77 -0.50 -1.79 117.00 116.72 3g88 n LEU 73 Ca 0.17 0.21 0.14 0.00 -0.03 0.00 0.00 56.01 56.51 3g88 n LEU 73 Cb 0.71 -0.21 0.79 0.00 -2.33 0.00 0.00 43.42 42.38 3g88 n LEU 73 CO 0.34 -0.12 1.02 0.54 -1.33 0.00 0.00 177.39 177.84 3g88 n ARG 74 N -1.21 0.63 -4.63 3.23 5.12 -0.19 -4.61 116.66 115.00 3g88 n ARG 74 Ca 0.08 0.01 -0.33 0.00 -1.93 0.00 0.00 57.85 55.67 3g88 n ARG 74 Cb 0.10 -1.50 -0.13 0.00 -1.16 0.00 0.00 32.46 29.77 3g88 n ARG 74 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3g88 s LEU 75 N -2.33 2.98 -0.34 0.55 1.43 -0.74 -5.02 118.68 115.21 3g88 s LEU 75 Ca 0.35 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.18 3g88 s LEU 75 Cb 0.20 -1.68 -0.22 0.00 0.03 0.00 0.00 46.19 44.52 3g88 s LEU 75 CO 0.40 0.21 3.39 -0.81 0.23 0.00 0.00 176.35 179.77 3g88 n PRO 76 N 3.21 2.29 -0.15 1.29 -0.04 -1.26 -4.39 135.00 135.95 3g88 n PRO 76 Ca -0.18 -1.22 0.07 0.00 -0.04 0.00 0.00 63.50 62.13 3g88 n PRO 76 Cb 0.53 -2.15 0.15 0.00 -0.04 0.00 0.00 33.50 31.98 3g88 n PRO 76 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g88 n LEU 77 N 2.76 2.86 -1.85 1.53 4.77 -1.26 -4.71 117.00 121.09 3g88 n LEU 77 Ca 0.49 -1.66 -0.14 0.00 -0.03 0.00 0.00 56.01 54.67 3g88 n LEU 77 Cb 0.74 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.70 3g88 n LEU 77 CO 0.28 0.66 0.18 0.79 -1.33 0.00 0.00 177.39 177.98 3g88 n TRP 78 N 0.81 1.96 -3.13 -1.77 7.02 -1.26 -5.03 117.44 116.04 3g88 n TRP 78 Ca 0.13 -2.02 -0.39 0.00 -1.02 0.00 0.00 57.50 54.20 3g88 n TRP 78 Cb 0.44 -0.30 -0.05 0.00 -2.42 0.00 0.00 31.31 28.97 3g88 n TRP 78 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 3g88 s GLN 79 N -3.43 4.37 1.13 -0.99 -1.52 -1.26 -4.93 119.66 113.03 3g88 s GLN 79 Ca 0.45 0.72 0.00 0.00 -1.95 0.00 0.00 55.36 54.58 3g88 s GLN 79 Cb 0.39 -3.47 0.00 0.00 -0.22 0.00 0.00 33.01 29.71 3g88 s GLN 79 CO 0.00 0.04 0.00 0.41 -0.25 0.00 0.00 175.29 175.49 3g88 n GLY 80 N 3.26 -1.98 2.19 3.09 0.00 -1.26 -4.43 105.19 106.06 3g88 n GLY 80 Ca -0.03 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.42 3g88 n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3g88 n PRO 81 N -0.17 2.21 -2.11 1.61 -0.04 -1.26 -4.06 135.00 131.18 3g88 n PRO 81 Ca 0.00 -1.55 -0.39 0.00 -0.04 0.00 0.00 63.50 61.53 3g88 n PRO 81 Cb 0.00 -2.08 -0.00 0.00 -0.04 0.00 0.00 33.50 31.38 3g88 n PRO 81 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3g88 s LEU 82 N -0.82 4.14 -0.20 1.53 1.43 -1.26 -4.56 118.68 118.93 3g88 s LEU 82 Ca 0.64 2.54 -0.21 0.00 -1.03 0.00 0.00 54.13 56.07 3g88 s LEU 82 Cb 0.34 -4.02 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 3g88 s LEU 82 CO -0.08 -0.89 0.66 -0.60 0.23 0.00 0.00 176.35 175.66 3g88 s ARG 83 N -2.39 4.21 -0.05 1.70 3.52 -1.26 -0.23 118.95 124.45 3g88 s ARG 83 Ca 0.59 0.66 0.04 0.00 -0.13 0.00 0.00 55.73 56.89 3g88 s ARG 83 Cb -0.35 -3.59 -0.00 0.00 -1.56 0.00 0.00 34.95 29.45 3g88 s ARG 83 CO 0.44 -0.27 -0.16 0.08 -0.81 0.00 0.00 175.30 174.58 3g88 s VAL 84 N 2.02 1.38 -0.20 7.11 1.01 0.64 -1.72 120.40 130.65 3g88 s VAL 84 Ca 0.30 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 3g88 s VAL 84 Cb -0.16 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 3g88 s VAL 84 CO 0.10 0.40 0.05 -0.22 0.00 0.00 0.00 175.10 175.44 3g88 s LEU 85 N 0.13 3.64 -0.42 3.92 2.96 -0.11 -0.97 118.68 127.83 3g88 s LEU 85 Ca -0.06 -0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 53.72 3g88 s LEU 85 Cb -0.12 -1.93 0.07 0.00 0.50 0.00 0.00 46.19 44.71 3g88 s LEU 85 CO 0.03 0.12 0.28 -0.62 -1.32 0.00 0.00 176.35 174.83 3g88 s ASP 86 N 0.71 5.74 -0.19 3.68 2.15 -0.19 0.04 116.67 128.61 3g88 s ASP 86 Ca 0.03 -1.43 -0.18 0.00 0.43 0.00 0.00 52.55 51.40 3g88 s ASP 86 Cb -0.13 -2.03 -0.03 0.00 -0.30 0.00 0.00 42.92 40.43 3g88 s ASP 86 CO 0.02 -0.54 0.48 -0.22 -0.17 0.00 0.00 175.17 174.74 3g88 s LEU 87 N 1.47 4.16 -0.54 -1.34 2.96 -0.15 -1.02 118.68 124.23 3g88 s LEU 87 Ca 0.03 0.64 -0.03 0.00 -0.22 0.00 0.00 54.13 54.55 3g88 s LEU 87 Cb -0.23 -2.65 0.00 0.00 0.50 0.00 0.00 46.19 43.81 3g88 s LEU 87 CO 0.03 -0.14 0.47 0.61 -1.32 0.00 0.00 176.35 176.00 3g88 n GLY 88 N 3.85 0.29 0.33 7.98 0.00 0.28 -4.49 105.19 113.43 3g88 n GLY 88 Ca -0.06 -0.28 0.22 0.00 0.00 0.00 0.00 46.02 45.90 3g88 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g88 h THR 89 N -1.03 0.00 0.00 2.61 1.03 -1.26 -3.45 112.91 110.81 3g88 h THR 89 Ca -0.23 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 3g88 h THR 89 Cb 1.15 1.04 0.00 0.00 -1.07 0.00 0.00 68.15 69.27 3g88 h THR 89 CO 0.22 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.34 3g88 n GLY 90 N -0.95 3.73 0.04 2.99 0.00 -1.26 -0.71 105.19 109.02 3g88 n GLY 90 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3g88 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g88 n ALA 91 N 11.83 2.50 0.00 4.61 0.00 -1.26 -4.51 120.51 133.68 3g88 n ALA 91 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3g88 n ALA 91 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3g88 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g88 n GLY 92 N 0.53 1.43 3.12 0.00 0.00 0.11 -4.70 105.19 105.68 3g88 n GLY 92 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3g88 n GLY 92 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g88 s PHE 93 N -2.00 1.88 -2.32 1.61 0.08 -0.29 -0.83 117.98 116.11 3g88 s PHE 93 Ca 0.00 -0.68 0.23 0.00 0.12 0.00 0.00 56.93 56.60 3g88 s PHE 93 Cb 0.00 -1.30 0.84 0.00 -0.57 0.00 0.00 43.02 42.00 3g88 s PHE 93 CO 0.00 -0.29 1.61 -0.35 -0.10 0.00 0.00 175.22 176.09 3g88 n PRO 94 N 3.52 1.69 -0.24 0.24 -0.04 -1.26 -4.57 135.00 134.34 3g88 n PRO 94 Ca -0.20 -1.03 -0.05 0.00 -0.04 0.00 0.00 63.50 62.17 3g88 n PRO 94 Cb 0.52 -1.42 0.05 0.00 -0.04 0.00 0.00 33.50 32.62 3g88 n PRO 94 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3g88 h GLY 95 N 4.98 0.95 0.66 0.55 0.00 -1.90 -2.64 103.07 105.67 3g88 h GLY 95 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3g88 h GLY 95 CO 0.00 0.35 -0.14 1.41 0.00 0.00 0.00 176.54 178.16 3g88 h LEU 96 N 0.91 0.29 -0.95 3.11 3.38 -1.36 -0.99 115.31 119.70 3g88 h LEU 96 Ca 0.25 -0.52 0.05 0.00 0.09 0.00 0.00 57.88 57.74 3g88 h LEU 96 Cb -0.11 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3g88 h LEU 96 CO -0.05 0.75 0.61 -0.65 0.09 0.00 0.00 178.44 179.19 3g88 h PRO 97 N -0.17 1.11 -0.26 1.13 0.11 -1.72 -0.54 132.00 131.66 3g88 h PRO 97 Ca 0.01 -0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.07 3g88 h PRO 97 Cb 0.69 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.52 3g88 h PRO 97 CO 0.03 0.74 0.11 1.25 -0.21 0.00 0.00 178.00 179.92 3g88 h LEU 98 N 1.15 0.16 -0.83 2.35 5.85 -1.32 -2.55 115.31 120.12 3g88 h LEU 98 Ca 0.39 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 59.06 3g88 h LEU 98 Cb 0.08 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3g88 h LEU 98 CO -0.15 0.12 0.12 0.50 -0.34 0.00 0.00 178.44 178.70 3g88 h LYS 99 N 0.25 1.00 -0.65 1.25 1.63 -0.75 0.16 116.57 119.45 3g88 h LYS 99 Ca 0.11 -0.24 0.02 0.00 -0.85 0.00 0.00 60.65 59.69 3g88 h LYS 99 Cb 0.05 -0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 31.52 3g88 h LYS 99 CO -0.09 0.90 0.42 0.82 -3.45 0.00 0.00 179.45 178.05 3g88 h ILE 100 N 0.94 1.12 0.00 2.00 2.04 -0.89 -2.80 117.51 119.93 3g88 h ILE 100 Ca 0.19 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3g88 h ILE 100 Cb 0.38 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3g88 h ILE 100 CO 0.01 0.15 -0.89 1.33 0.00 0.00 0.00 178.15 178.75 3g88 n VAL 101 N -4.67 0.42 -3.46 1.67 0.24 -0.98 -4.35 118.33 107.20 3g88 n VAL 101 Ca 0.06 -0.39 -0.26 0.00 -2.04 0.00 0.00 64.34 61.71 3g88 n VAL 101 Cb 0.05 -0.15 -0.09 0.00 -1.47 0.00 0.00 33.84 32.19 3g88 n VAL 101 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3g88 n ARG 102 N -2.32 1.54 0.18 7.34 5.12 0.55 -4.99 116.66 124.08 3g88 n ARG 102 Ca 0.01 -4.02 0.13 0.00 -1.93 0.00 0.00 57.85 52.04 3g88 n ARG 102 Cb 0.49 -1.90 0.63 0.00 -1.16 0.00 0.00 32.46 30.52 3g88 n ARG 102 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g88 h PRO 103 N 4.63 0.00 0.00 5.56 0.13 -1.69 -2.43 132.00 138.19 3g88 h PRO 103 Ca 0.17 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.24 3g88 h PRO 103 Cb 0.78 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.90 3g88 h PRO 103 CO 0.64 0.00 -0.28 0.93 -0.23 0.00 0.00 178.00 179.06 3g88 h GLU 104 N 0.00 0.00 -6.84 0.86 5.08 -1.86 -3.45 114.58 108.37 3g88 h GLU 104 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3g88 h GLU 104 Cb 0.18 0.00 0.09 0.00 0.50 0.00 0.00 28.75 29.52 3g88 h GLU 104 CO 0.00 0.28 0.87 1.28 -1.00 0.00 0.00 179.01 180.44 3g88 n LEU 105 N -3.32 4.53 -4.39 1.33 4.77 -0.92 -4.26 117.00 114.74 3g88 n LEU 105 Ca 0.01 1.17 -0.44 0.00 -0.03 0.00 0.00 56.01 56.71 3g88 n LEU 105 Cb 0.52 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 39.94 3g88 n LEU 105 CO 0.35 0.19 0.18 -0.70 -1.33 0.00 0.00 177.39 176.08 3g88 s GLU 106 N -0.89 3.03 -0.14 3.23 2.12 0.67 -4.80 118.70 121.93 3g88 s GLU 106 Ca 0.61 -1.26 -0.05 0.00 0.36 0.00 0.00 54.97 54.63 3g88 s GLU 106 Cb -0.48 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 29.71 3g88 s GLU 106 CO 0.52 -1.18 0.05 -1.17 -0.54 0.00 0.00 175.26 172.94 3g88 s LEU 107 N 2.04 3.81 -0.17 2.70 2.96 -0.44 -0.26 118.68 129.32 3g88 s LEU 107 Ca 0.08 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 3g88 s LEU 107 Cb -0.24 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.54 3g88 s LEU 107 CO 0.08 0.29 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.52 3g88 s VAL 108 N -0.33 2.29 -0.29 1.68 1.01 -0.14 -1.15 120.40 123.48 3g88 s VAL 108 Ca 0.08 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3g88 s VAL 108 Cb -0.12 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3g88 s VAL 108 CO 0.02 0.53 0.05 -0.76 0.00 0.00 0.00 175.10 174.93 3g88 s LEU 109 N 1.13 3.73 -0.09 3.92 1.02 0.42 -1.02 118.68 127.79 3g88 s LEU 109 Ca 0.01 -0.80 -0.02 0.00 0.02 0.00 0.00 54.13 53.34 3g88 s LEU 109 Cb -0.14 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.22 3g88 s LEU 109 CO -0.07 -0.19 -0.01 -0.69 0.02 0.00 0.00 176.35 175.40 3g88 s VAL 110 N 1.44 4.17 -0.03 -1.59 1.01 -0.18 -0.34 120.40 124.88 3g88 s VAL 110 Ca 0.01 -0.30 -0.14 0.00 0.00 0.00 0.00 61.98 61.56 3g88 s VAL 110 Cb -0.17 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.48 3g88 s VAL 110 CO 0.01 0.59 0.31 -0.62 0.00 0.00 0.00 175.10 175.38 3g88 s ASP 111 N -0.73 -0.20 0.10 3.32 2.15 -0.91 -0.56 116.67 119.85 3g88 s ASP 111 Ca 0.11 0.15 0.27 0.00 0.43 0.00 0.00 52.55 53.52 3g88 s ASP 111 Cb -0.12 0.36 1.03 0.00 -0.30 0.00 0.00 42.92 43.89 3g88 s ASP 111 CO 0.02 -0.40 1.85 0.00 -0.17 0.00 0.00 175.17 176.47 3g88 n ALA 112 N 1.50 2.29 -2.55 3.66 0.00 -1.08 -1.52 120.51 122.81 3g88 n ALA 112 Ca -0.20 -0.06 -0.40 0.00 0.00 0.00 0.00 53.44 52.78 3g88 n ALA 112 Cb 0.56 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.44 3g88 n ALA 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3g88 s THR 113 N -3.05 5.27 0.24 0.00 2.01 -1.26 -4.75 115.64 114.10 3g88 s THR 113 Ca 0.12 -0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.01 3g88 s THR 113 Cb 0.16 -3.69 0.23 0.00 0.01 0.00 0.00 72.50 69.21 3g88 s THR 113 CO 0.55 0.05 1.90 -0.09 -0.69 0.00 0.00 174.62 176.35 3g88 h ARG 114 N 8.44 1.18 0.00 4.92 2.43 -2.00 -2.48 114.38 126.87 3g88 h ARG 114 Ca -0.32 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 58.72 3g88 h ARG 114 Cb 1.16 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 3g88 h ARG 114 CO 0.62 0.78 -0.28 1.57 -1.51 0.00 0.00 179.97 181.15 3g88 h LYS 115 N 1.21 0.00 -0.08 0.20 2.10 -1.98 0.01 116.57 118.04 3g88 h LYS 115 Ca 0.35 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.98 3g88 h LYS 115 Cb -0.08 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.25 3g88 h LYS 115 CO -0.09 0.28 -0.05 0.87 -2.00 0.00 0.00 179.45 178.46 3g88 h LYS 116 N 0.00 0.17 -0.66 0.07 1.79 -1.76 -1.99 116.57 114.19 3g88 h LYS 116 Ca -0.00 -0.08 0.06 0.00 -2.18 0.00 0.00 60.65 58.45 3g88 h LYS 116 Cb 0.57 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.16 3g88 h LYS 116 CO 0.04 0.55 0.36 0.28 -1.08 0.00 0.00 179.45 179.60 3g88 h VAL 117 N -0.22 0.95 -0.66 0.50 2.07 -1.11 -0.52 116.25 117.25 3g88 h VAL 117 Ca 0.02 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3g88 h VAL 117 Cb 0.51 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3g88 h VAL 117 CO 0.01 0.12 0.43 0.00 0.02 0.00 0.00 177.57 178.15 3g88 h ALA 118 N 1.36 0.84 -0.18 1.67 0.00 -0.99 -0.84 119.26 121.12 3g88 h ALA 118 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3g88 h ALA 118 Cb 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3g88 h ALA 118 CO -0.19 0.23 0.12 0.35 0.00 0.00 0.00 179.25 179.75 3g88 h PHE 119 N 0.86 0.24 -0.85 0.00 3.57 -0.55 -1.95 116.94 118.25 3g88 h PHE 119 Ca 0.25 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3g88 h PHE 119 Cb -0.06 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 3g88 h PHE 119 CO -0.04 0.17 0.49 0.28 -2.23 0.00 0.00 178.31 176.98 3g88 h VAL 120 N 0.24 1.24 -0.77 1.41 2.07 -0.65 -0.61 116.25 119.18 3g88 h VAL 120 Ca 0.07 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 3g88 h VAL 120 Cb -0.01 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.80 3g88 h VAL 120 CO -0.01 0.26 0.31 -0.08 0.02 0.00 0.00 177.57 178.07 3g88 h GLU 121 N 1.17 1.15 -0.38 1.57 4.81 -1.05 -0.17 114.58 121.68 3g88 h GLU 121 Ca 0.30 -0.21 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 3g88 h GLU 121 Cb -0.02 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3g88 h GLU 121 CO -0.05 0.93 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.82 3g88 h ARG 122 N 1.11 0.78 -0.60 1.92 2.43 -0.91 -1.73 114.38 117.38 3g88 h ARG 122 Ca 0.26 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 3g88 h ARG 122 Cb 0.21 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3g88 h ARG 122 CO -0.02 0.94 0.26 0.00 -1.51 0.00 0.00 179.97 179.64 3g88 h ALA 123 N 1.05 0.78 -0.66 2.80 0.00 -0.73 0.99 119.26 123.49 3g88 h ALA 123 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3g88 h ALA 123 Cb 0.76 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3g88 h ALA 123 CO 0.06 0.37 0.40 0.82 0.00 0.00 0.00 179.25 180.91 3g88 h ILE 124 N 0.83 1.19 -0.24 0.00 2.04 -0.87 -0.18 117.51 120.28 3g88 h ILE 124 Ca 0.20 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 3g88 h ILE 124 Cb 0.17 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 3g88 h ILE 124 CO -0.02 0.20 -0.14 -0.08 0.00 0.00 0.00 178.15 178.10 3g88 h GLU 125 N 0.90 0.52 -0.39 2.37 4.57 -1.00 -1.03 114.58 120.51 3g88 h GLU 125 Ca 0.24 -0.24 -0.12 0.00 -1.18 0.00 0.00 59.36 58.06 3g88 h GLU 125 Cb -0.03 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 3g88 h GLU 125 CO -0.05 0.80 -0.22 0.28 -1.18 0.00 0.00 179.01 178.65 3g88 h VAL 126 N 0.24 1.28 0.00 0.32 2.07 -0.71 -2.81 116.25 116.63 3g88 h VAL 126 Ca 0.05 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.21 3g88 h VAL 126 Cb 0.66 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3g88 h VAL 126 CO 0.04 0.45 0.00 0.18 0.02 0.00 0.00 177.57 178.27 3g88 n LEU 127 N -4.22 0.39 -1.05 2.57 4.77 -0.09 -4.93 117.00 114.44 3g88 n LEU 127 Ca -0.02 0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 56.41 3g88 n LEU 127 Cb 0.44 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3g88 n LEU 127 CO 0.45 -0.15 -0.12 0.61 -1.33 0.00 0.00 177.39 176.85 3g88 n GLY 128 N 1.14 0.16 3.76 -0.72 0.00 -0.47 -4.99 105.19 104.08 3g88 n GLY 128 Ca 0.06 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.17 3g88 n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3g88 s LEU 129 N -2.70 4.46 0.00 0.99 1.43 -0.72 -5.04 118.68 117.11 3g88 s LEU 129 Ca 0.00 2.54 0.04 0.00 -1.03 0.00 0.00 54.13 55.69 3g88 s LEU 129 Cb 0.00 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 3g88 s LEU 129 CO 0.00 -0.43 -0.12 -0.54 0.23 0.00 0.00 176.35 175.49 3g88 s LYS 130 N -1.51 2.39 -0.32 1.70 -0.14 -1.26 -4.65 119.74 115.96 3g88 s LYS 130 Ca 0.49 -0.79 -0.00 0.00 -1.36 0.00 0.00 55.97 54.30 3g88 s LYS 130 Cb -0.37 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.40 3g88 s LYS 130 CO 0.48 0.59 0.05 0.41 -0.76 0.00 0.00 175.35 176.12 3g88 n GLY 131 N 1.76 0.32 2.87 -3.33 0.00 -1.26 -4.98 105.19 100.57 3g88 n GLY 131 Ca -0.16 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 3g88 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g88 s ALA 132 N -2.40 0.28 -0.03 4.61 0.00 -1.26 -1.32 121.76 121.64 3g88 s ALA 132 Ca 0.03 0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 3g88 s ALA 132 Cb -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.93 3g88 s ALA 132 CO 0.03 -0.00 0.12 -0.98 0.00 0.00 0.00 175.76 174.93 3g88 s ARG 133 N 0.45 0.27 -0.08 0.00 1.70 -0.30 -4.99 118.95 116.00 3g88 s ARG 133 Ca -0.04 -0.08 -0.07 0.00 -0.47 0.00 0.00 55.73 55.07 3g88 s ARG 133 Cb -0.07 0.12 -0.04 0.00 -0.57 0.00 0.00 34.95 34.38 3g88 s ARG 133 CO -0.01 -0.05 0.18 0.00 -1.08 0.00 0.00 175.30 174.34 3g88 s ALA 134 N -0.53 3.88 -0.04 7.88 0.00 -1.26 -0.44 121.76 131.25 3g88 s ALA 134 Ca -0.06 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 3g88 s ALA 134 Cb -0.04 -2.00 0.03 0.00 0.00 0.00 0.00 23.12 21.11 3g88 s ALA 134 CO 0.01 0.64 0.03 -1.17 0.00 0.00 0.00 175.76 175.26 3g88 s LEU 135 N -1.29 0.64 -0.23 0.00 2.96 0.54 -4.91 118.68 116.40 3g88 s LEU 135 Ca 0.19 0.02 -0.27 0.00 -0.22 0.00 0.00 54.13 53.85 3g88 s LEU 135 Cb -0.13 -0.20 0.00 0.00 0.50 0.00 0.00 46.19 46.36 3g88 s LEU 135 CO 0.09 -0.18 0.93 0.86 -1.32 0.00 0.00 176.35 176.73 3g88 s TRP 136 N 1.65 3.33 0.00 5.38 -0.00 -1.26 -2.13 118.94 125.91 3g88 s TRP 136 Ca -0.01 1.31 0.00 0.00 -0.00 0.00 0.00 56.10 57.39 3g88 s TRP 136 Cb -0.13 -3.16 0.00 0.00 -0.00 0.00 0.00 33.47 30.19 3g88 s TRP 136 CO -0.03 -0.43 0.00 0.41 -0.00 0.00 0.00 176.95 176.90 3g88 n GLY 137 N 3.53 0.54 3.70 5.86 0.00 -0.58 -4.96 105.19 113.29 3g88 n GLY 137 Ca 0.09 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 3g88 n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g88 s ARG 138 N -2.00 3.64 0.25 1.61 1.81 -1.26 -2.62 118.95 120.38 3g88 s ARG 138 Ca 0.00 -0.31 -0.04 0.00 -1.72 0.00 0.00 55.73 53.65 3g88 s ARG 138 Cb 0.00 -3.11 0.48 0.00 -0.45 0.00 0.00 34.95 31.86 3g88 s ARG 138 CO 0.00 0.48 1.69 0.00 -0.68 0.00 0.00 175.30 176.79 3g88 h ALA 139 N 5.98 0.99 0.00 2.13 0.00 -1.97 -0.58 119.26 125.81 3g88 h ALA 139 Ca -0.44 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3g88 h ALA 139 Cb 1.19 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3g88 h ALA 139 CO 0.64 -0.33 -0.18 0.93 0.00 0.00 0.00 179.25 180.32 3g88 h GLU 140 N 0.29 0.00 0.04 0.00 3.07 -1.91 -1.35 114.58 114.72 3g88 h GLU 140 Ca 0.42 0.00 -0.24 0.00 -0.50 0.00 0.00 59.36 59.05 3g88 h GLU 140 Cb 0.72 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.61 3g88 h GLU 140 CO -0.50 0.18 -1.29 0.28 -1.40 0.00 0.00 179.01 176.28 3g88 h VAL 141 N 0.00 0.96 -0.47 3.13 2.07 -1.62 -3.38 116.25 116.95 3g88 h VAL 141 Ca -0.00 -2.25 -0.04 0.00 0.82 0.00 0.00 66.70 65.23 3g88 h VAL 141 Cb 0.36 2.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 3g88 h VAL 141 CO 0.02 0.48 0.12 -0.07 0.02 0.00 0.00 177.57 178.15 3g88 h LEU 142 N -0.73 0.64 0.00 2.57 3.38 -1.01 -1.89 115.31 118.28 3g88 h LEU 142 Ca -0.32 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3g88 h LEU 142 Cb 1.46 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3g88 h LEU 142 CO -0.11 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.05 3g88 n ALA 143 N -2.47 2.47 0.90 1.53 0.00 -0.52 -1.62 120.51 120.80 3g88 n ALA 143 Ca 0.03 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.46 3g88 n ALA 143 Cb 0.20 -1.32 0.07 0.00 0.00 0.00 0.00 19.45 18.41 3g88 n ALA 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g88 n ARG 144 N -0.85 1.89 -3.41 0.00 1.74 -0.71 -4.46 116.66 110.85 3g88 n ARG 144 Ca 0.15 -1.63 -0.38 0.00 -0.77 0.00 0.00 57.85 55.21 3g88 n ARG 144 Cb 0.07 -1.41 -0.06 0.00 -1.02 0.00 0.00 32.46 30.03 3g88 n ARG 144 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3g88 s GLU 145 N -1.89 4.03 0.50 5.56 2.02 -0.64 -4.97 118.70 123.31 3g88 s GLU 145 Ca 0.24 0.53 0.16 0.00 0.02 0.00 0.00 54.97 55.92 3g88 s GLU 145 Cb 0.18 -3.23 1.20 0.00 0.10 0.00 0.00 34.13 32.38 3g88 s GLU 145 CO 0.31 0.66 2.10 0.00 0.02 0.00 0.00 175.26 178.36 3g88 h ALA 146 N 4.69 2.03 0.00 5.21 0.00 -1.92 -0.04 119.26 129.22 3g88 h ALA 146 Ca -0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3g88 h ALA 146 Cb 1.22 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3g88 h ALA 146 CO 0.62 -0.06 -0.00 0.78 0.00 0.00 0.00 179.25 180.59 3g88 h GLY 147 N 0.12 0.00 0.00 0.00 0.00 -1.93 -3.35 103.07 97.90 3g88 h GLY 147 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 3g88 h GLY 147 CO -0.01 0.00 -0.80 1.42 0.00 0.00 0.00 176.54 177.15 3g88 n HIS 148 N -3.09 0.00 -1.90 5.60 8.25 -0.73 -4.87 115.22 118.47 3g88 n HIS 148 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 3g88 n HIS 148 Cb 0.22 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 3g88 n HIS 148 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3g88 s ARG 149 N -1.80 4.19 -1.61 -0.41 3.52 -0.11 -2.55 118.95 120.18 3g88 s ARG 149 Ca 0.00 2.36 -0.15 0.00 -0.13 0.00 0.00 55.73 57.81 3g88 s ARG 149 Cb 0.00 -3.58 0.12 0.00 -1.56 0.00 0.00 34.95 29.93 3g88 s ARG 149 CO 0.00 -0.74 0.84 0.39 -0.81 0.00 0.00 175.30 174.98 3g88 n GLU 150 N 5.54 -4.14 -0.03 5.12 1.02 0.04 -4.84 120.64 123.35 3g88 n GLU 150 Ca 0.16 0.47 0.03 0.00 -0.02 0.00 0.00 57.16 57.80 3g88 n GLU 150 Cb 0.40 -5.22 0.04 0.00 -0.02 0.00 0.00 31.44 26.65 3g88 n GLU 150 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g88 n ALA 151 N -4.50 2.38 -2.40 0.62 0.00 -0.57 -3.59 120.51 112.45 3g88 n ALA 151 Ca 0.03 -0.70 -0.31 0.00 0.00 0.00 0.00 53.44 52.46 3g88 n ALA 151 Cb 0.52 -0.21 -0.14 0.00 0.00 0.00 0.00 19.45 19.62 3g88 n ALA 151 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3g88 s TYR 152 N -0.64 2.48 0.02 0.00 2.02 -0.61 -4.87 117.35 115.75 3g88 s TYR 152 Ca 0.08 -0.32 0.10 0.00 -0.37 0.00 0.00 57.07 56.57 3g88 s TYR 152 Cb 0.05 -1.49 -0.14 0.00 -0.40 0.00 0.00 41.96 39.99 3g88 s TYR 152 CO 0.08 0.14 1.23 0.00 -1.57 0.00 0.00 175.55 175.42 3g88 h ALA 153 N 4.98 0.50 -3.11 3.71 0.00 -1.64 -0.14 119.26 123.56 3g88 h ALA 153 Ca -0.46 -0.85 -0.23 0.00 0.00 0.00 0.00 54.91 53.37 3g88 h ALA 153 Cb 1.14 -0.04 -0.21 0.00 0.00 0.00 0.00 17.79 18.68 3g88 h ALA 153 CO 0.47 1.11 -0.72 1.03 0.00 0.00 0.00 179.25 181.14 3g88 s ARG 154 N -2.78 0.43 -0.01 0.00 1.81 -0.88 -1.26 118.95 116.26 3g88 s ARG 154 Ca 0.01 -0.68 -0.04 0.00 -1.72 0.00 0.00 55.73 53.30 3g88 s ARG 154 Cb 0.09 -0.12 -0.00 0.00 -0.45 0.00 0.00 34.95 34.47 3g88 s ARG 154 CO 0.80 0.01 0.08 0.00 -0.68 0.00 0.00 175.30 175.51 3g88 s ALA 155 N -1.37 -0.18 0.07 2.13 0.00 -0.88 -0.93 121.76 120.59 3g88 s ALA 155 Ca -0.12 -0.08 0.02 0.00 0.00 0.00 0.00 51.96 51.78 3g88 s ALA 155 Cb -0.10 0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3g88 s ALA 155 CO -0.00 -0.13 -0.07 0.14 0.00 0.00 0.00 175.76 175.69 3g88 s VAL 156 N -0.82 0.61 -0.21 0.00 -7.23 0.11 -0.22 120.40 112.64 3g88 s VAL 156 Ca -0.09 -1.44 -0.17 0.00 -1.81 0.00 0.00 61.98 58.47 3g88 s VAL 156 Cb -0.05 -1.06 0.06 0.00 0.56 0.00 0.00 36.38 35.89 3g88 s VAL 156 CO 0.00 -0.58 0.56 0.00 -0.31 0.00 0.00 175.10 174.77 3g88 s ALA 157 N -2.31 -1.41 -0.05 1.32 0.00 -0.97 -0.97 121.76 117.37 3g88 s ALA 157 Ca -0.01 1.70 0.03 0.00 0.00 0.00 0.00 51.96 53.68 3g88 s ALA 157 Cb -0.04 -1.00 0.00 0.00 0.00 0.00 0.00 23.12 22.09 3g88 s ALA 157 CO -0.02 -0.28 -0.14 0.50 0.00 0.00 0.00 175.76 175.82 3g88 s ARG 158 N 0.67 1.62 -1.32 0.00 3.52 -1.26 -1.09 118.95 121.10 3g88 s ARG 158 Ca -0.03 -0.49 -0.01 0.00 -0.13 0.00 0.00 55.73 55.07 3g88 s ARG 158 Cb -0.05 -1.39 0.01 0.00 -1.56 0.00 0.00 34.95 31.96 3g88 s ARG 158 CO -0.04 0.14 0.73 0.00 -0.81 0.00 0.00 175.30 175.31 3g88 n ALA 159 N 3.42 -1.96 -0.05 6.12 0.00 -1.26 -4.92 120.51 121.85 3g88 n ALA 159 Ca -0.20 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.01 3g88 n ALA 159 Cb 0.53 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 3g88 n ALA 159 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g88 n VAL 160 N -4.30 1.19 -3.56 0.00 0.31 -1.26 -5.12 118.33 105.59 3g88 n VAL 160 Ca -0.28 0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 64.03 3g88 n VAL 160 Cb 0.67 -1.91 -0.02 0.00 -0.91 0.00 0.00 33.84 31.67 3g88 n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g88 s ALA 161 N -2.43 -1.60 0.75 3.52 0.00 -1.26 -5.06 121.76 115.68 3g88 s ALA 161 Ca -0.19 0.45 -0.15 0.00 0.00 0.00 0.00 51.96 52.07 3g88 s ALA 161 Cb 0.05 0.73 0.05 0.00 0.00 0.00 0.00 23.12 23.94 3g88 s ALA 161 CO 0.26 -0.83 1.19 -2.30 0.00 0.00 0.00 175.76 174.08 3g88 n PRO 162 N -0.37 0.48 -0.35 0.00 -0.02 -1.26 -4.53 135.00 128.96 3g88 n PRO 162 Ca -0.11 0.23 0.08 0.00 -2.02 0.00 0.00 63.50 61.68 3g88 n PRO 162 Cb 0.63 -2.43 0.25 0.00 -0.02 0.00 0.00 33.50 31.93 3g88 n PRO 162 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3g88 h LEU 163 N -0.42 0.85 -0.92 2.45 3.38 -1.98 0.59 115.31 119.26 3g88 h LEU 163 Ca -0.48 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3g88 h LEU 163 Cb 1.32 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 3g88 h LEU 163 CO 0.48 0.41 0.59 0.00 0.09 0.00 0.00 178.44 180.00 3g88 h VAL 165 N 1.26 1.55 -0.28 0.00 2.07 -1.54 -3.33 116.25 115.98 3g88 h VAL 165 Ca 0.33 -1.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 3g88 h VAL 165 Cb -0.10 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 3g88 h VAL 165 CO -0.07 0.47 0.10 0.25 0.02 0.00 0.00 177.57 178.34 3g88 h LEU 166 N -0.58 0.35 -0.83 2.57 5.85 -0.78 -1.69 115.31 120.19 3g88 h LEU 166 Ca -0.01 -0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3g88 h LEU 166 Cb 0.83 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3g88 h LEU 166 CO 0.02 0.34 0.23 0.28 -0.34 0.00 0.00 178.44 178.96 3g88 h SER 167 N 0.39 1.02 0.19 1.25 0.02 -1.07 0.18 113.55 115.54 3g88 h SER 167 Ca 0.10 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 3g88 h SER 167 Cb 0.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3g88 h SER 167 CO -0.01 0.95 -0.32 -0.08 -1.14 0.00 0.00 176.83 176.23 3g88 h GLU 168 N 1.05 0.21 -0.07 3.45 4.81 -1.43 -1.54 114.58 121.06 3g88 h GLU 168 Ca 0.23 -0.08 -0.22 0.00 -0.13 0.00 0.00 59.36 59.17 3g88 h GLU 168 Cb 0.29 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3g88 h GLU 168 CO -0.01 0.51 -0.84 -0.07 -0.73 0.00 0.00 179.01 177.87 3g88 h LEU 169 N 0.18 0.68 0.03 1.64 3.38 -0.93 -3.40 115.31 116.89 3g88 h LEU 169 Ca 0.02 -0.48 -0.25 0.00 0.09 0.00 0.00 57.88 57.26 3g88 h LEU 169 Cb 0.66 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3g88 h LEU 169 CO 0.05 1.26 -1.37 -0.07 0.09 0.00 0.00 178.44 178.40 3g88 h LEU 170 N 0.36 0.09 -1.23 1.67 3.38 -0.56 -3.41 115.31 115.61 3g88 h LEU 170 Ca -0.06 -0.61 0.07 0.00 0.09 0.00 0.00 57.88 57.37 3g88 h LEU 170 Cb 1.45 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.12 3g88 h LEU 170 CO 0.16 1.55 0.55 -0.07 0.09 0.00 0.00 178.44 180.72 3g88 h LEU 171 N -0.78 0.80 -0.91 1.67 3.38 -1.49 -1.20 115.31 116.78 3g88 h LEU 171 Ca -0.35 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3g88 h LEU 171 Cb 1.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3g88 h LEU 171 CO -0.14 0.50 0.00 -2.65 0.09 0.00 0.00 178.44 176.24 3g88 n PRO 172 N -4.50 0.14 0.14 1.13 -0.02 -1.26 -1.81 135.00 128.82 3g88 n PRO 172 Ca 0.13 0.51 0.12 0.00 -2.02 0.00 0.00 63.50 62.25 3g88 n PRO 172 Cb 0.24 -1.85 0.26 0.00 -0.02 0.00 0.00 33.50 32.13 3g88 n PRO 172 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3g88 h PHE 173 N 0.00 0.00 -3.36 6.00 0.04 -1.47 0.16 116.94 118.31 3g88 h PHE 173 Ca 0.00 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.20 3g88 h PHE 173 Cb 0.16 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.25 3g88 h PHE 173 CO 0.00 0.00 0.10 -0.51 -0.60 0.00 0.00 178.31 177.30 3g88 s LEU 174 N -5.15 4.28 0.62 1.54 1.43 -0.75 -1.51 118.68 119.14 3g88 s LEU 174 Ca 0.08 1.12 -0.19 0.00 -1.03 0.00 0.00 54.13 54.12 3g88 s LEU 174 Cb 0.10 -3.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 3g88 s LEU 174 CO 0.66 -0.15 1.26 -1.83 0.23 0.00 0.00 176.35 176.51 3g88 s GLU 175 N 1.03 2.76 0.23 1.70 -1.05 -0.07 -4.37 118.70 118.94 3g88 s GLU 175 Ca 0.36 1.97 -0.32 0.00 -0.15 0.00 0.00 54.97 56.83 3g88 s GLU 175 Cb -0.17 -1.90 -0.13 0.00 -0.44 0.00 0.00 34.13 31.49 3g88 s GLU 175 CO 0.16 -1.41 1.54 0.28 0.95 0.00 0.00 175.26 176.79 3g88 n VAL 176 N -1.73 0.57 0.00 1.83 0.31 -1.26 -0.96 118.33 117.09 3g88 n VAL 176 Ca 0.15 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3g88 n VAL 176 Cb 0.49 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.74 3g88 n VAL 176 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3g88 n GLY 177 N 2.76 2.06 3.49 2.92 0.00 0.71 -5.02 105.19 112.12 3g88 n GLY 177 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 3g88 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g88 n GLY 178 N -2.00 -1.88 3.25 -0.02 0.00 -0.13 -4.80 105.19 99.60 3g88 n GLY 178 Ca 0.00 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.25 3g88 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g88 s ALA 179 N -3.68 -0.84 0.10 4.61 0.00 -0.39 -1.86 121.76 119.71 3g88 s ALA 179 Ca 0.69 0.55 0.09 0.00 0.00 0.00 0.00 51.96 53.29 3g88 s ALA 179 Cb -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 3g88 s ALA 179 CO 0.50 -0.24 -0.19 0.00 0.00 0.00 0.00 175.76 175.83 3g88 s ALA 180 N -0.88 2.64 -0.22 0.00 0.00 0.03 -2.07 121.76 121.26 3g88 s ALA 180 Ca -0.10 -1.33 0.01 0.00 0.00 0.00 0.00 51.96 50.54 3g88 s ALA 180 Cb -0.04 -0.64 0.03 0.00 0.00 0.00 0.00 23.12 22.46 3g88 s ALA 180 CO 0.03 0.59 -0.14 0.08 0.00 0.00 0.00 175.76 176.32 3g88 s VAL 181 N -1.09 2.34 -0.46 0.00 1.01 0.70 -0.71 120.40 122.18 3g88 s VAL 181 Ca 0.17 -1.11 -0.19 0.00 0.00 0.00 0.00 61.98 60.85 3g88 s VAL 181 Cb -0.10 -2.13 0.03 0.00 0.00 0.00 0.00 36.38 34.18 3g88 s VAL 181 CO 0.09 0.32 0.59 0.00 0.00 0.00 0.00 175.10 176.10 3g88 s ALA 182 N 1.26 3.37 -0.09 5.51 0.00 0.20 -2.29 121.76 129.73 3g88 s ALA 182 Ca 0.01 -1.45 -0.30 0.00 0.00 0.00 0.00 51.96 50.21 3g88 s ALA 182 Cb -0.16 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3g88 s ALA 182 CO -0.09 -1.82 1.22 -1.64 0.00 0.00 0.00 175.76 173.43 3g88 s MET 183 N 2.62 4.32 0.25 0.00 -1.94 -0.25 -1.56 119.30 122.74 3g88 s MET 183 Ca 0.18 1.67 0.06 0.00 -1.71 0.00 0.00 55.69 55.89 3g88 s MET 183 Cb -0.16 -3.61 -0.05 0.00 2.01 0.00 0.00 34.83 33.01 3g88 s MET 183 CO 0.15 -0.52 -0.05 0.15 -0.01 0.00 0.00 175.02 174.74 3g88 s LYS 184 N 2.58 1.45 0.00 2.03 -0.14 0.83 -4.28 119.74 122.22 3g88 s LYS 184 Ca 0.56 -1.72 0.00 0.00 -1.36 0.00 0.00 55.97 53.44 3g88 s LYS 184 Cb -0.24 -0.99 0.00 0.00 -1.68 0.00 0.00 37.83 34.92 3g88 s LYS 184 CO 0.20 0.02 0.00 0.41 -0.76 0.00 0.00 175.35 175.22 3g88 n GLY 185 N -0.50 0.84 0.26 -3.33 0.00 -1.26 -1.15 105.19 100.04 3g88 n GLY 185 Ca -0.06 -1.83 0.09 0.00 0.00 0.00 0.00 46.02 44.22 3g88 n GLY 185 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3g88 h PRO 186 N 0.00 0.00 -4.96 1.61 0.11 -1.86 -3.26 132.00 123.64 3g88 h PRO 186 Ca 0.00 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.44 3g88 h PRO 186 Cb 0.00 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 30.78 3g88 h PRO 186 CO 0.00 0.04 -0.78 1.03 -0.21 0.00 0.00 178.00 178.07 3g88 s ARG 187 N -4.92 2.90 0.00 1.05 0.52 -1.26 -4.90 118.95 112.34 3g88 s ARG 187 Ca -0.05 -0.92 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 3g88 s ARG 187 Cb 0.16 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.79 3g88 s ARG 187 CO 0.66 -0.33 0.06 1.33 0.02 0.00 0.00 175.30 177.03 3g88 n VAL 188 N 4.65 0.00 -0.02 3.52 0.24 -1.26 -4.88 118.33 120.58 3g88 n VAL 188 Ca -0.18 -0.41 -0.09 0.00 -2.04 0.00 0.00 64.34 61.61 3g88 n VAL 188 Cb 0.48 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.84 3g88 n VAL 188 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3g88 h GLU 189 N 0.00 -0.29 -0.74 7.34 4.39 -1.98 -0.15 114.58 123.16 3g88 h GLU 189 Ca 0.00 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 3g88 h GLU 189 Cb 0.01 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 3g88 h GLU 189 CO 0.00 -0.19 0.26 0.93 -1.16 0.00 0.00 179.01 178.85 3g88 h GLU 190 N -0.30 1.13 -0.25 2.33 4.39 -2.01 -1.78 114.58 118.08 3g88 h GLU 190 Ca 0.11 -0.23 -0.15 0.00 0.34 0.00 0.00 59.36 59.44 3g88 h GLU 190 Cb 0.47 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3g88 h GLU 190 CO -0.34 0.94 -0.45 0.93 -1.16 0.00 0.00 179.01 178.93 3g88 h GLU 191 N 1.08 0.64 0.00 2.33 5.08 -1.79 -3.24 114.58 118.69 3g88 h GLU 191 Ca 0.24 -0.35 -0.21 0.00 -1.00 0.00 0.00 59.36 58.03 3g88 h GLU 191 Cb 0.26 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3g88 h GLU 191 CO -0.01 0.96 -0.92 -0.07 -1.00 0.00 0.00 179.01 177.97 3g88 h LEU 192 N 0.52 0.40 -0.69 1.33 3.38 -0.88 -3.40 115.31 115.97 3g88 h LEU 192 Ca 0.03 -0.32 0.14 0.00 0.09 0.00 0.00 57.88 57.83 3g88 h LEU 192 Cb 0.98 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.51 3g88 h LEU 192 CO 0.09 1.13 0.13 0.00 0.09 0.00 0.00 178.44 179.88 3g88 h ALA 193 N 0.85 0.84 -0.49 1.53 0.00 -1.35 -0.77 119.26 119.87 3g88 h ALA 193 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3g88 h ALA 193 Cb 1.55 0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3g88 h ALA 193 CO 0.15 -0.34 0.00 -0.35 0.00 0.00 0.00 179.25 178.71 3g88 n PRO 194 N -5.18 2.30 -0.04 0.00 -0.04 -1.26 -4.69 135.00 126.10 3g88 n PRO 194 Ca 0.12 -2.01 -0.15 0.00 -0.04 0.00 0.00 63.50 61.43 3g88 n PRO 194 Cb 0.41 -1.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.34 3g88 n PRO 194 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3g88 h LEU 195 N 3.49 0.50 -1.02 1.53 5.85 -1.33 -3.37 115.31 120.96 3g88 h LEU 195 Ca 0.00 -0.58 0.15 0.00 0.84 0.00 0.00 57.88 58.29 3g88 h LEU 195 Cb 0.79 -0.14 -0.09 0.00 0.37 0.00 0.00 40.66 41.58 3g88 h LEU 195 CO 0.00 0.99 0.62 -0.65 -0.34 0.00 0.00 178.44 179.06 3g88 h PRO 196 N 0.03 0.86 -0.15 5.25 0.11 -1.84 0.47 132.00 136.74 3g88 h PRO 196 Ca -0.00 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 3g88 h PRO 196 Cb 0.93 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 3g88 h PRO 196 CO 0.07 0.57 -0.24 -1.35 -0.21 0.00 0.00 178.00 176.84 3g88 h PRO 197 N 0.89 0.26 -0.20 1.05 0.11 -1.96 -2.06 132.00 130.09 3g88 h PRO 197 Ca 0.53 -0.08 -0.15 0.00 0.11 0.00 0.00 66.00 66.41 3g88 h PRO 197 Cb 0.68 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 3g88 h PRO 197 CO -0.32 0.49 -0.51 0.00 -0.21 0.00 0.00 178.00 177.45 3g88 h ALA 198 N 1.52 0.73 -0.51 -0.75 0.00 -1.13 -2.74 119.26 116.38 3g88 h ALA 198 Ca 0.04 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3g88 h ALA 198 Cb 0.55 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3g88 h ALA 198 CO 0.04 0.68 0.33 -0.07 0.00 0.00 0.00 179.25 180.23 3g88 h LEU 199 N 0.44 0.60 -1.17 0.00 3.38 -0.99 -2.60 115.31 114.97 3g88 h LEU 199 Ca 0.02 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3g88 h LEU 199 Cb 1.05 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 3g88 h LEU 199 CO 0.10 0.45 0.57 -0.08 0.09 0.00 0.00 178.44 179.57 3g88 h GLU 200 N 0.69 1.04 0.00 1.13 4.81 -1.21 0.11 114.58 121.15 3g88 h GLU 200 Ca 0.19 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3g88 h GLU 200 Cb -0.06 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.09 3g88 h GLU 200 CO -0.04 0.69 -0.01 0.00 -0.73 0.00 0.00 179.01 178.92 3g88 h ARG 201 N 1.07 0.00 -0.02 1.92 3.08 -1.16 -2.43 114.38 116.83 3g88 h ARG 201 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.40 3g88 h ARG 201 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3g88 h ARG 201 CO -0.11 0.01 -0.12 1.28 -1.07 0.00 0.00 179.97 179.96 3g88 n LEU 202 N -3.94 2.20 0.00 3.04 4.77 0.19 -4.44 117.00 118.82 3g88 n LEU 202 Ca -0.03 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 3g88 n LEU 202 Cb 0.09 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3g88 n LEU 202 CO 0.29 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3g88 n GLY 203 N 1.32 0.61 3.81 -0.72 0.00 -0.92 -3.94 105.19 105.36 3g88 n GLY 203 Ca 0.14 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 3g88 n GLY 203 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g88 s GLY 204 N -2.38 2.32 0.02 -0.02 0.00 -0.09 -0.01 107.32 107.16 3g88 s GLY 204 Ca 0.00 -1.81 -0.05 0.00 0.00 0.00 0.00 44.72 42.86 3g88 s GLY 204 CO 0.00 -1.87 0.09 1.09 0.00 0.00 0.00 173.10 172.41 3g88 s ARG 205 N -4.04 0.53 -0.04 2.90 1.70 -0.05 -3.22 118.95 116.73 3g88 s ARG 205 Ca 0.40 -0.63 -0.30 0.00 -0.47 0.00 0.00 55.73 54.73 3g88 s ARG 205 Cb 0.01 0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 3g88 s ARG 205 CO 0.23 -0.13 1.32 -1.17 -1.08 0.00 0.00 175.30 174.48 3g88 s LEU 206 N -1.83 4.29 0.00 -1.89 2.96 -1.26 -0.72 118.68 120.23 3g88 s LEU 206 Ca -0.09 1.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.79 3g88 s LEU 206 Cb -0.04 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.09 3g88 s LEU 206 CO -0.02 -0.68 0.00 0.61 -1.32 0.00 0.00 176.35 174.94 3g88 n GLY 207 N 3.55 1.29 3.76 7.98 0.00 0.12 -4.84 105.19 117.05 3g88 n GLY 207 Ca 0.12 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.09 3g88 n GLY 207 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3g88 s GLU 208 N 1.98 2.59 -0.33 1.61 -1.05 -1.26 -4.67 118.70 117.57 3g88 s GLU 208 Ca 0.00 1.47 -0.01 0.00 -0.15 0.00 0.00 54.97 56.28 3g88 s GLU 208 Cb 0.00 -1.92 0.07 0.00 -0.44 0.00 0.00 34.13 31.84 3g88 s GLU 208 CO 0.00 -1.43 0.04 0.08 0.95 0.00 0.00 175.26 174.91 3g88 s VAL 209 N -2.29 2.95 -0.29 1.83 1.01 -1.26 -0.69 120.40 121.66 3g88 s VAL 209 Ca 0.68 -1.64 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 3g88 s VAL 209 Cb -0.22 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.33 3g88 s VAL 209 CO 0.43 -0.28 0.65 -0.22 0.00 0.00 0.00 175.10 175.68 3g88 s LEU 210 N 1.19 4.12 0.03 3.92 2.96 0.08 -4.90 118.68 126.08 3g88 s LEU 210 Ca -0.01 0.53 -0.21 0.00 -0.22 0.00 0.00 54.13 54.23 3g88 s LEU 210 Cb -0.20 -2.86 -0.06 0.00 0.50 0.00 0.00 46.19 43.57 3g88 s LEU 210 CO -0.03 -0.46 0.61 0.00 -1.32 0.00 0.00 176.35 175.15 3g88 s ALA 211 N 2.62 3.51 0.14 5.97 0.00 -1.26 -0.54 121.76 132.20 3g88 s ALA 211 Ca 0.26 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 3g88 s ALA 211 Cb -0.15 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.24 3g88 s ALA 211 CO 0.11 0.24 0.32 -0.48 0.00 0.00 0.00 175.76 175.95 3g88 s LEU 212 N -0.53 0.83 -0.10 0.00 0.05 -0.76 -5.01 118.68 113.16 3g88 s LEU 212 Ca 0.31 -0.64 0.01 0.00 0.05 0.00 0.00 54.13 53.86 3g88 s LEU 212 Cb -0.19 1.43 -0.02 0.00 -2.05 0.00 0.00 46.19 45.36 3g88 s LEU 212 CO 0.19 -0.87 -0.10 -1.10 -0.55 0.00 0.00 176.35 173.91 3g88 s GLN 213 N -3.89 3.03 0.42 1.48 -0.21 -1.26 -0.91 119.66 118.32 3g88 s GLN 213 Ca 0.10 -0.63 -0.26 0.00 0.02 0.00 0.00 55.36 54.59 3g88 s GLN 213 Cb 0.03 -2.59 -0.09 0.00 1.00 0.00 0.00 33.01 31.35 3g88 s GLN 213 CO -0.06 0.44 1.41 -0.51 -2.12 0.00 0.00 175.29 174.45 3g88 s LEU 214 N -0.23 4.18 0.36 2.90 1.43 -0.25 -4.90 118.68 122.17 3g88 s LEU 214 Ca 0.02 2.88 0.06 0.00 -1.03 0.00 0.00 54.13 56.06 3g88 s LEU 214 Cb -0.13 -3.87 0.68 0.00 0.03 0.00 0.00 46.19 42.90 3g88 s LEU 214 CO 0.03 -1.03 1.90 1.55 0.23 0.00 0.00 176.35 179.03 3g88 h PRO 215 N 2.56 0.44 0.00 1.29 0.13 -1.92 -2.10 132.00 132.40 3g88 h PRO 215 Ca -0.51 -0.09 -0.31 0.00 -0.87 0.00 0.00 66.00 64.22 3g88 h PRO 215 Cb 1.26 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.26 3g88 h PRO 215 CO 0.62 0.49 -2.19 1.28 -0.23 0.00 0.00 178.00 177.97 3g88 n LEU 216 N -4.29 1.53 -0.02 1.56 4.77 -1.26 -4.61 117.00 114.68 3g88 n LEU 216 Ca 0.01 -0.06 -0.03 0.00 -0.03 0.00 0.00 56.01 55.90 3g88 n LEU 216 Cb 0.24 -0.19 -0.12 0.00 -2.33 0.00 0.00 43.42 41.02 3g88 n LEU 216 CO 0.38 0.64 -0.62 -1.54 -1.33 0.00 0.00 177.39 174.93 3g88 n SER 217 N -2.88 0.54 0.00 -1.43 3.41 -1.25 -4.98 113.62 107.03 3g88 n SER 217 Ca -0.33 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 3g88 n SER 217 Cb 0.97 0.54 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 3g88 n SER 217 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g88 n GLY 218 N 1.51 1.49 3.78 5.00 0.00 -0.79 -4.99 105.19 111.18 3g88 n GLY 218 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3g88 n GLY 218 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g88 s GLU 219 N -0.15 4.09 0.33 1.61 2.02 -1.26 -4.40 118.70 120.94 3g88 s GLU 219 Ca 0.00 2.60 -0.28 0.00 0.02 0.00 0.00 54.97 57.31 3g88 s GLU 219 Cb 0.00 -2.97 -0.09 0.00 0.10 0.00 0.00 34.13 31.17 3g88 s GLU 219 CO 0.00 -0.57 1.17 0.00 0.02 0.00 0.00 175.26 175.88 3g88 s ALA 220 N -0.93 3.35 0.07 5.21 0.00 -1.26 -1.09 121.76 127.11 3g88 s ALA 220 Ca 0.55 1.01 0.01 0.00 0.00 0.00 0.00 51.96 53.53 3g88 s ALA 220 Cb -0.47 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.23 3g88 s ALA 220 CO 0.61 -0.40 -0.06 1.03 0.00 0.00 0.00 175.76 176.95 3g88 s ARG 221 N -1.82 0.70 -0.04 0.00 1.81 -0.09 -2.70 118.95 116.82 3g88 s ARG 221 Ca 0.50 -1.19 0.01 0.00 -1.72 0.00 0.00 55.73 53.33 3g88 s ARG 221 Cb -0.33 -0.08 0.02 0.00 -0.45 0.00 0.00 34.95 34.10 3g88 s ARG 221 CO 0.43 -0.04 -0.05 -1.01 -0.68 0.00 0.00 175.30 173.95 3g88 s HIS 222 N -3.31 0.82 -0.42 -0.53 3.76 -0.30 -1.83 115.29 113.48 3g88 s HIS 222 Ca 0.06 -0.24 -0.15 0.00 -0.15 0.00 0.00 55.06 54.58 3g88 s HIS 222 Cb 0.03 -0.69 0.02 0.00 1.11 0.00 0.00 32.58 33.05 3g88 s HIS 222 CO -0.05 -0.19 0.32 -0.51 -0.85 0.00 0.00 174.74 173.46 3g88 s LEU 223 N 0.83 5.12 -0.38 0.89 1.43 0.30 -0.12 118.68 126.75 3g88 s LEU 223 Ca -0.12 -0.90 -0.17 0.00 -1.03 0.00 0.00 54.13 51.91 3g88 s LEU 223 Cb -0.14 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 43.89 3g88 s LEU 223 CO 0.01 -0.48 0.44 -0.69 0.23 0.00 0.00 176.35 175.86 3g88 s VAL 224 N 1.74 5.08 -0.09 -1.59 1.01 -0.60 -0.74 120.40 125.21 3g88 s VAL 224 Ca 0.06 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.80 3g88 s VAL 224 Cb -0.19 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 3g88 s VAL 224 CO 0.10 -0.28 0.51 -0.69 0.00 0.00 0.00 175.10 174.74 3g88 s VAL 225 N 2.20 5.13 -0.19 2.92 1.01 0.13 -0.62 120.40 130.97 3g88 s VAL 225 Ca 0.14 1.03 -0.02 0.00 0.00 0.00 0.00 61.98 63.13 3g88 s VAL 225 Cb -0.16 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 3g88 s VAL 225 CO 0.13 0.35 -0.10 -0.76 0.00 0.00 0.00 175.10 174.72 3g88 s LEU 226 N 0.43 2.70 -0.03 3.92 1.43 0.12 0.15 118.68 127.40 3g88 s LEU 226 Ca 0.28 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.82 3g88 s LEU 226 Cb -0.16 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 3g88 s LEU 226 CO 0.12 0.03 0.34 -1.61 0.23 0.00 0.00 176.35 175.46 3g88 s GLU 227 N 1.16 3.80 -0.37 1.70 2.02 0.10 -0.79 118.70 126.31 3g88 s GLU 227 Ca 0.01 0.27 -0.16 0.00 0.02 0.00 0.00 54.97 55.12 3g88 s GLU 227 Cb -0.14 -3.21 -0.00 0.00 0.10 0.00 0.00 34.13 30.87 3g88 s GLU 227 CO -0.03 0.71 0.39 0.21 0.02 0.00 0.00 175.26 176.57 3g88 s LYS 228 N -1.06 3.41 -0.07 1.61 2.47 -0.78 -0.87 119.74 124.45 3g88 s LYS 228 Ca 0.21 -0.52 0.09 0.00 -1.56 0.00 0.00 55.97 54.19 3g88 s LYS 228 Cb -0.15 -3.86 -0.13 0.00 -1.46 0.00 0.00 37.83 32.22 3g88 s LYS 228 CO 0.11 -0.64 0.09 -2.37 0.16 0.00 0.00 175.35 172.70 3g88 n THR 229 N 5.31 0.46 -3.93 3.43 5.66 0.98 -0.21 114.28 125.99 3g88 n THR 229 Ca -0.08 -0.36 -0.08 0.00 -3.05 0.00 0.00 64.05 60.47 3g88 n THR 229 Cb 0.49 -0.43 -0.08 0.00 -1.55 0.00 0.00 70.33 68.76 3g88 n THR 229 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3g88 s ALA 230 N -2.39 -0.00 0.47 1.79 0.00 -0.54 -4.81 121.76 116.28 3g88 s ALA 230 Ca -0.05 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 50.88 3g88 s ALA 230 Cb 0.04 0.45 -0.07 0.00 0.00 0.00 0.00 23.12 23.54 3g88 s ALA 230 CO 0.41 -0.48 1.28 -2.14 0.00 0.00 0.00 175.76 174.83 3g88 s PRO 231 N -3.88 3.60 0.08 0.00 0.02 -1.26 -4.42 135.00 129.14 3g88 s PRO 231 Ca 0.06 2.05 -0.31 0.00 0.02 0.00 0.00 61.00 62.83 3g88 s PRO 231 Cb 0.06 -2.45 -0.07 0.00 0.02 0.00 0.00 34.50 32.06 3g88 s PRO 231 CO -0.10 -0.77 1.30 0.99 -0.33 0.00 0.00 177.00 178.09 3g88 s THR 232 N -1.38 3.67 0.63 0.99 2.01 -1.25 -4.55 115.64 115.76 3g88 s THR 232 Ca 0.64 1.20 -0.18 0.00 0.31 0.00 0.00 61.69 63.66 3g88 s THR 232 Cb -0.36 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.36 3g88 s THR 232 CO 0.44 0.09 1.10 -2.65 -0.69 0.00 0.00 174.62 172.90 3g88 n PRO 233 N 4.02 0.98 0.32 4.92 -0.02 -1.26 -4.87 135.00 139.08 3g88 n PRO 233 Ca 0.10 0.38 0.21 0.00 -2.02 0.00 0.00 63.50 62.18 3g88 n PRO 233 Cb 0.44 -2.32 1.13 0.00 -0.02 0.00 0.00 33.50 32.73 3g88 n PRO 233 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3g88 h PRO 234 N 0.48 0.00 0.00 0.52 0.13 -1.98 -2.14 132.00 129.02 3g88 h PRO 234 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3g88 h PRO 234 Cb 1.35 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 3g88 h PRO 234 CO 0.52 0.00 -0.01 0.00 -0.23 0.00 0.00 178.00 178.28 3g88 h ALA 235 N 2.00 1.02 -4.19 -0.56 0.00 -1.99 -3.44 119.26 112.10 3g88 h ALA 235 Ca 0.00 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.21 3g88 h ALA 235 Cb 0.02 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.56 3g88 h ALA 235 CO 0.00 0.01 -0.82 0.71 0.00 0.00 0.00 179.25 179.15 3g88 s TYR 236 N -3.94 2.54 0.58 0.00 2.02 -0.80 -3.59 117.35 114.14 3g88 s TYR 236 Ca -0.02 -0.28 -0.13 0.00 -0.37 0.00 0.00 57.07 56.27 3g88 s TYR 236 Cb 0.11 -1.53 -0.06 0.00 -0.40 0.00 0.00 41.96 40.08 3g88 s TYR 236 CO 0.48 0.14 1.01 -1.25 -1.57 0.00 0.00 175.55 174.36 3g88 s PRO 237 N -0.93 3.73 1.09 -1.71 0.04 -1.26 -4.83 135.00 131.13 3g88 s PRO 237 Ca 0.12 0.85 -0.18 0.00 0.04 0.00 0.00 61.00 61.83 3g88 s PRO 237 Cb -0.10 -2.10 0.26 0.00 0.04 0.00 0.00 34.50 32.60 3g88 s PRO 237 CO 0.02 -0.46 1.20 0.54 0.04 0.00 0.00 177.00 178.34 3g88 n ARG 238 N -2.24 -2.17 -1.19 4.56 1.74 -1.24 -5.00 116.66 111.12 3g88 n ARG 238 Ca 0.06 -1.89 -0.31 0.00 -0.77 0.00 0.00 57.85 54.94 3g88 n ARG 238 Cb 0.54 -1.48 0.10 0.00 -1.02 0.00 0.00 32.46 30.60 3g88 n ARG 238 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3g88 s ARG 239 N -5.67 2.02 0.17 5.56 0.52 -1.26 -4.76 118.95 115.53 3g88 s ARG 239 Ca 0.72 1.30 -0.33 0.00 -0.52 0.00 0.00 55.73 56.90 3g88 s ARG 239 Cb -0.04 -1.86 -0.14 0.00 0.52 0.00 0.00 34.95 33.42 3g88 s ARG 239 CO 0.53 -1.84 1.43 -2.30 0.02 0.00 0.00 175.30 173.14 3g88 n PRO 240 N -3.54 1.80 0.00 3.54 -0.02 -1.26 -0.86 135.00 134.66 3g88 n PRO 240 Ca 0.10 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3g88 n PRO 240 Cb 0.53 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3g88 n PRO 240 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g88 n GLY 241 N 2.69 2.83 0.14 -1.23 0.00 -1.26 -4.90 105.19 103.47 3g88 n GLY 241 Ca 0.15 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 3g88 n GLY 241 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g88 h VAL 242 N 0.00 1.41 -0.99 1.61 2.07 -1.32 -1.54 116.25 117.49 3g88 h VAL 242 Ca 0.00 -1.85 0.11 0.00 0.82 0.00 0.00 66.70 65.77 3g88 h VAL 242 Cb 0.00 2.37 -0.08 0.00 -1.52 0.00 0.00 31.29 32.06 3g88 h VAL 242 CO 0.00 0.54 0.63 -0.65 0.02 0.00 0.00 177.57 178.11 3g88 h PRO 243 N -0.07 1.00 -0.21 1.57 0.11 -1.84 0.26 132.00 132.82 3g88 h PRO 243 Ca -0.04 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 65.81 3g88 h PRO 243 Cb 1.11 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3g88 h PRO 243 CO 0.09 0.66 -0.67 1.49 -0.21 0.00 0.00 178.00 179.36 3g88 h GLU 244 N 1.03 0.80 -0.10 1.05 4.81 -1.92 -2.43 114.58 117.82 3g88 h GLU 244 Ca 0.47 -0.58 -0.15 0.00 -0.13 0.00 0.00 59.36 58.97 3g88 h GLU 244 Cb 0.41 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3g88 h GLU 244 CO -0.23 1.20 -0.60 0.00 -0.73 0.00 0.00 179.01 178.65 3g88 h ARG 245 N 0.58 0.33 -2.18 1.92 3.08 -0.77 -3.37 114.38 113.96 3g88 h ARG 245 Ca -0.02 -0.22 -0.58 0.00 0.07 0.00 0.00 59.98 59.23 3g88 h ARG 245 Cb 1.28 0.03 -0.39 0.00 0.08 0.00 0.00 29.97 30.97 3g88 h ARG 245 CO 0.14 0.83 -0.98 0.72 -1.07 0.00 0.00 179.97 179.61 3g88 n HIS 246 N -3.89 0.26 -1.13 3.04 8.25 0.86 -5.08 115.22 117.52 3g88 n HIS 246 Ca -0.03 -3.62 -0.33 0.00 -0.26 0.00 0.00 57.72 53.48 3g88 n HIS 246 Cb 0.62 -0.25 0.12 0.00 1.12 0.00 0.00 29.99 31.60 3g88 n HIS 246 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3g88 s PRO 247 N -1.08 1.73 0.31 -0.41 0.02 -0.91 -4.68 135.00 129.98 3g88 s PRO 247 Ca 0.35 1.59 0.26 0.00 0.02 0.00 0.00 61.00 63.21 3g88 s PRO 247 Cb 0.12 -1.80 1.03 0.00 0.02 0.00 0.00 34.50 33.87 3g88 s PRO 247 CO -0.12 -2.11 1.76 -0.07 -0.33 0.00 0.00 177.00 176.14 3g88 h LEU 248 N -1.02 0.00 0.00 -5.54 3.38 -1.81 -3.50 115.31 106.81 3g88 h LEU 248 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3g88 h LEU 248 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3g88 h LEU 248 CO 0.47 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.00