#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1diu s ALA 2 N 0.00 3.69 -0.17 2.41 0.00 -0.33 -0.93 121.76 126.44 1diu s ALA 2 Ca 0.00 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 1diu s ALA 2 Cb 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 1diu s ALA 2 CO 0.00 0.75 0.02 -0.06 0.00 0.00 0.00 175.76 176.46 1diu s PHE 3 N -1.45 3.15 -0.43 0.00 0.40 -0.32 -0.41 117.98 118.92 1diu s PHE 3 Ca 0.31 -0.09 -0.07 0.00 -0.60 0.00 0.00 56.93 56.48 1diu s PHE 3 Cb -0.12 -2.02 0.10 0.00 0.51 0.00 0.00 43.02 41.48 1diu s PHE 3 CO 0.24 0.08 0.27 -1.17 0.70 0.00 0.00 175.22 175.33 1diu s LEU 4 N 0.35 5.31 0.23 -0.37 2.96 0.63 0.03 118.68 127.82 1diu s LEU 4 Ca -0.00 -1.75 -0.10 0.00 -0.22 0.00 0.00 54.13 52.06 1diu s LEU 4 Cb -0.13 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 1diu s LEU 4 CO 0.01 -0.58 0.38 -1.66 -1.32 0.00 0.00 176.35 173.18 1diu s TRP 5 N 1.33 0.57 -0.02 5.38 -2.14 -0.68 -4.34 118.94 119.03 1diu s TRP 5 Ca 0.05 -0.89 0.01 0.00 2.66 0.00 0.00 56.10 57.92 1diu s TRP 5 Cb -0.24 -0.01 0.02 0.00 -3.10 0.00 0.00 33.47 30.14 1diu s TRP 5 CO -0.00 -0.89 -0.00 0.00 -2.66 0.00 0.00 176.95 173.39 1diu s ALA 6 N -4.05 0.27 0.03 2.67 0.00 -1.26 -1.49 121.76 117.93 1diu s ALA 6 Ca 0.27 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 1diu s ALA 6 Cb 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 1diu s ALA 6 CO 0.09 -0.04 0.03 1.14 0.00 0.00 0.00 175.76 176.99 1diu s GLN 7 N 0.73 0.51 0.78 0.00 -2.07 0.25 -4.60 119.66 115.26 1diu s GLN 7 Ca -0.07 -0.80 -0.13 0.00 -1.82 0.00 0.00 55.36 52.54 1diu s GLN 7 Cb -0.10 0.19 0.18 0.00 -1.09 0.00 0.00 33.01 32.19 1diu s GLN 7 CO -0.01 -0.11 0.94 -0.40 -1.32 0.00 0.00 175.29 174.39 1diu n ASP 8 N 0.90 -0.45 0.30 12.60 5.75 -0.98 0.12 116.55 134.79 1diu n ASP 8 Ca -0.20 -1.26 0.15 0.00 -0.01 0.00 0.00 54.79 53.48 1diu n ASP 8 Cb 0.58 -0.75 0.91 0.00 -1.03 0.00 0.00 41.12 40.83 1diu n ASP 8 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1diu h ARG 9 N 0.00 0.00 -0.03 0.11 0.11 -1.09 -0.29 114.38 113.19 1diu h ARG 9 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 1diu h ARG 9 Cb 0.90 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.98 1diu h ARG 9 CO 0.22 0.02 0.00 -0.25 0.10 0.00 0.00 179.97 180.06 1diu n ASP 10 N -3.74 2.97 0.00 0.08 8.00 -1.26 -4.95 116.55 117.65 1diu n ASP 10 Ca -0.03 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.49 1diu n ASP 10 Cb 0.11 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1diu n ASP 10 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1diu n GLY 11 N 1.33 0.39 3.75 0.44 0.00 -0.12 -4.96 105.19 106.01 1diu n GLY 11 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1diu n GLY 11 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1diu s LEU 12 N 0.00 4.37 -0.00 0.99 2.96 -1.26 -0.11 118.68 125.63 1diu s LEU 12 Ca 0.00 2.78 0.02 0.00 -0.22 0.00 0.00 54.13 56.71 1diu s LEU 12 Cb 0.00 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 1diu s LEU 12 CO 0.00 -0.78 0.05 2.30 -1.32 0.00 0.00 176.35 176.60 1diu n ILE 13 N 2.14 0.00 -3.88 6.68 -5.35 0.38 -2.31 119.36 117.01 1diu n ILE 13 Ca 0.07 -0.20 -0.09 0.00 -0.27 0.00 0.00 62.75 62.25 1diu n ILE 13 Cb 0.39 0.68 -0.05 0.00 -1.74 0.00 0.00 39.64 38.92 1diu n ILE 13 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1diu s GLY 14 N -1.77 0.25 -0.24 3.28 0.00 -0.74 -4.33 107.32 103.76 1diu s GLY 14 Ca -0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 44.72 44.05 1diu s GLY 14 CO 0.06 -0.50 0.50 1.25 0.00 0.00 0.00 173.10 174.41 1diu s LYS 15 N -3.95 0.42 -1.53 2.90 2.20 -0.21 -1.30 119.74 118.28 1diu s LYS 15 Ca 0.16 1.12 -0.05 0.00 -0.36 0.00 0.00 55.97 56.84 1diu s LYS 15 Cb -0.00 0.45 0.01 0.00 -1.51 0.00 0.00 37.83 36.77 1diu s LYS 15 CO 0.03 -0.29 0.61 -0.25 -0.36 0.00 0.00 175.35 175.08 1diu n ASP 16 N 5.41 -6.09 0.00 1.43 8.00 -1.26 -0.56 116.55 123.49 1diu n ASP 16 Ca -0.09 -0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.13 1diu n ASP 16 Cb 0.49 -4.90 0.00 0.00 -0.02 0.00 0.00 41.12 36.70 1diu n ASP 16 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1diu n GLY 17 N -1.52 0.51 3.22 0.44 0.00 -1.26 -5.02 105.19 101.55 1diu n GLY 17 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.71 1diu n GLY 17 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1diu n HIS 18 N -2.99 -0.81 -2.81 1.61 1.44 0.28 -4.77 115.22 107.17 1diu n HIS 18 Ca 0.00 -2.81 -0.35 0.00 -2.01 0.00 0.00 57.72 52.55 1diu n HIS 18 Cb 0.00 0.30 -0.07 0.00 0.12 0.00 0.00 29.99 30.34 1diu n HIS 18 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1diu s LEU 19 N 0.00 4.19 0.00 2.39 1.43 -1.26 -1.04 118.68 124.39 1diu s LEU 19 Ca 0.40 1.76 0.24 0.00 -1.03 0.00 0.00 54.13 55.50 1diu s LEU 19 Cb 0.02 -4.20 1.19 0.00 0.03 0.00 0.00 46.19 43.23 1diu s LEU 19 CO 0.28 -0.18 1.80 -2.65 0.23 0.00 0.00 176.35 175.83 1diu n PRO 20 N 0.10 1.31 -4.15 1.29 -0.02 -1.26 -4.58 135.00 127.69 1diu n PRO 20 Ca 0.04 -0.46 -0.18 0.00 -2.02 0.00 0.00 63.50 60.88 1diu n PRO 20 Cb 0.52 -1.40 -0.06 0.00 -0.02 0.00 0.00 33.50 32.53 1diu n PRO 20 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1diu n TRP 21 N -0.38 -1.04 -3.51 6.00 2.14 -1.26 -4.83 117.44 114.57 1diu n TRP 21 Ca 0.18 -2.65 -0.14 0.00 2.07 0.00 0.00 57.50 56.96 1diu n TRP 21 Cb 0.20 0.39 -0.11 0.00 -0.81 0.00 0.00 31.31 30.97 1diu n TRP 21 CO 0.00 0.00 0.00 -1.58 2.07 0.00 0.00 177.69 178.18 1diu s HIS 22 N -3.19 -0.49 -0.40 -2.67 2.46 -1.26 -5.07 115.29 104.68 1diu s HIS 22 Ca 0.36 0.65 0.03 0.00 0.47 0.00 0.00 55.06 56.57 1diu s HIS 22 Cb 0.01 -0.14 0.16 0.00 -0.13 0.00 0.00 32.58 32.48 1diu s HIS 22 CO 0.26 -0.56 0.35 -1.17 -2.47 0.00 0.00 174.74 171.14 1diu s LEU 23 N 2.42 0.79 0.21 8.88 2.96 -1.26 -5.02 118.68 127.67 1diu s LEU 23 Ca 0.07 -2.48 -0.09 0.00 -0.22 0.00 0.00 54.13 51.41 1diu s LEU 23 Cb -0.14 -0.05 0.26 0.00 0.50 0.00 0.00 46.19 46.76 1diu s LEU 23 CO -0.12 -0.21 1.81 -0.65 -1.32 0.00 0.00 176.35 175.86 1diu h PRO 24 N 6.16 0.68 -0.68 0.98 0.11 -2.00 -1.59 132.00 135.67 1diu h PRO 24 Ca 0.16 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 66.37 1diu h PRO 24 Cb 0.97 -0.15 -0.12 0.00 0.11 0.00 0.00 31.00 31.80 1diu h PRO 24 CO 0.28 0.45 -0.08 0.22 -0.21 0.00 0.00 178.00 178.66 1diu h ASP 25 N 0.70 -0.46 0.51 -2.05 3.58 -2.00 -2.53 116.42 114.16 1diu h ASP 25 Ca 0.31 0.19 -0.07 0.00 0.42 0.00 0.00 57.03 57.88 1diu h ASP 25 Cb 0.21 0.36 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1diu h ASP 25 CO -0.19 -0.19 -0.32 -0.78 -2.88 0.00 0.00 179.24 174.88 1diu h ASP 26 N 0.05 0.00 1.43 2.28 3.58 -1.72 -2.85 116.42 119.19 1diu h ASP 26 Ca 0.35 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.71 1diu h ASP 26 Cb 0.57 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1diu h ASP 26 CO -0.65 0.32 -0.58 -0.07 -2.88 0.00 0.00 179.24 175.38 1diu h LEU 27 N 0.00 0.00 -0.73 2.28 4.07 -1.35 -0.39 115.31 119.19 1diu h LEU 27 Ca -0.00 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.97 1diu h LEU 27 Cb 0.66 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.37 1diu h LEU 27 CO 0.04 0.37 0.48 0.45 -1.08 0.00 0.00 178.44 178.71 1diu h HIS 28 N 0.00 0.92 0.00 1.13 3.86 -1.43 -2.32 115.15 117.30 1diu h HIS 28 Ca -0.03 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 1diu h HIS 28 Cb 1.31 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.46 1diu h HIS 28 CO 0.00 0.57 -0.44 -0.92 0.86 0.00 0.00 177.93 178.01 1diu h TYR 29 N 0.98 0.00 0.03 2.45 5.03 -1.54 -2.86 116.97 121.06 1diu h TYR 29 Ca 0.27 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.61 1diu h TYR 29 Cb -0.10 0.00 -0.04 0.00 1.55 0.00 0.00 36.73 38.14 1diu h TYR 29 CO -0.02 0.44 -0.21 0.35 -1.32 0.00 0.00 178.16 177.40 1diu h PHE 30 N 0.00 -0.54 -0.18 -3.82 3.04 -1.02 -2.04 116.94 112.37 1diu h PHE 30 Ca -0.00 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.98 1diu h PHE 30 Cb 1.05 0.24 -0.03 0.00 2.56 0.00 0.00 35.95 39.77 1diu h PHE 30 CO 0.00 -0.29 -0.19 -0.09 -2.02 0.00 0.00 178.31 175.72 1diu h ARG 31 N -0.35 -0.10 0.00 1.11 2.43 -1.40 -2.99 114.38 113.09 1diu h ARG 31 Ca 0.05 0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.12 1diu h ARG 31 Cb 0.41 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1diu h ARG 31 CO -0.17 -0.07 -0.84 0.00 -1.51 0.00 0.00 179.97 177.38 1diu h ALA 32 N -0.80 0.67 0.00 2.80 0.00 -1.56 0.14 119.26 120.51 1diu h ALA 32 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1diu h ALA 32 Cb 0.19 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1diu h ALA 32 CO -0.22 0.60 0.00 1.04 0.00 0.00 0.00 179.25 180.67 1diu n GLN 33 N -3.03 0.00 0.00 0.00 1.13 -0.77 -3.22 117.38 111.49 1diu n GLN 33 Ca -0.02 0.43 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 1diu n GLN 33 Cb 0.73 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.58 1diu n GLN 33 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1diu n THR 34 N -1.48 0.13 -1.82 5.09 -2.24 -0.82 -4.96 114.28 108.19 1diu n THR 34 Ca 0.01 -0.51 -0.39 0.00 -2.27 0.00 0.00 64.05 60.88 1diu n THR 34 Cb 0.03 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 1diu n THR 34 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1diu s VAL 35 N -0.13 3.22 0.00 2.28 -7.23 0.43 -1.69 120.40 117.28 1diu s VAL 35 Ca 0.00 0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 1diu s VAL 35 Cb 0.00 -3.45 0.00 0.00 0.56 0.00 0.00 36.38 33.49 1diu s VAL 35 CO 0.00 -0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 1diu n GLY 36 N 5.74 0.44 3.09 2.32 0.00 0.78 -4.99 105.19 112.57 1diu n GLY 36 Ca 0.27 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 1diu n GLY 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1diu n LYS 37 N -1.56 0.85 -3.14 1.61 5.02 -0.68 -4.75 118.16 115.50 1diu n LYS 37 Ca 0.00 -2.83 -0.43 0.00 -2.02 0.00 0.00 58.31 53.02 1diu n LYS 37 Cb 0.00 0.36 -0.06 0.00 -0.02 0.00 0.00 35.03 35.31 1diu n LYS 37 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1diu s ILE 38 N -2.26 4.85 -0.44 -0.18 1.01 -0.52 -1.90 121.20 121.76 1diu s ILE 38 Ca 0.22 -0.33 -0.19 0.00 0.00 0.00 0.00 60.65 60.35 1diu s ILE 38 Cb -0.02 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.20 1diu s ILE 38 CO 0.14 -0.76 0.56 -0.32 0.00 0.00 0.00 174.94 174.56 1diu s MET 39 N 2.70 3.18 -0.23 2.79 1.75 -0.02 -1.49 119.30 127.96 1diu s MET 39 Ca 0.17 -0.62 -0.10 0.00 -1.25 0.00 0.00 55.69 53.89 1diu s MET 39 Cb -0.18 -3.99 -0.05 0.00 2.84 0.00 0.00 34.83 33.46 1diu s MET 39 CO 0.14 -0.99 0.14 0.08 -0.65 0.00 0.00 175.02 173.74 1diu s VAL 40 N 2.52 5.22 0.03 10.11 1.01 0.43 -0.98 120.40 138.73 1diu s VAL 40 Ca 0.17 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1diu s VAL 40 Cb -0.16 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1diu s VAL 40 CO 0.16 0.36 -0.08 0.68 0.00 0.00 0.00 175.10 176.21 1diu s VAL 41 N 1.03 0.56 0.61 2.92 -7.23 -0.64 -0.70 120.40 116.95 1diu s VAL 41 Ca 0.07 -0.86 -0.17 0.00 -1.81 0.00 0.00 61.98 59.21 1diu s VAL 41 Cb -0.14 -0.58 -0.02 0.00 0.56 0.00 0.00 36.38 36.20 1diu s VAL 41 CO 0.04 -0.22 1.12 -0.83 -0.31 0.00 0.00 175.10 174.90 1diu s GLY 42 N -1.18 2.36 0.17 2.32 0.00 -0.56 -1.94 107.32 108.48 1diu s GLY 42 Ca -0.06 0.67 -0.16 0.00 0.00 0.00 0.00 44.72 45.17 1diu s GLY 42 CO 0.00 1.02 1.68 -0.09 0.00 0.00 0.00 173.10 175.71 1diu h ARG 43 N 0.51 0.05 -0.37 2.90 1.12 -1.83 0.26 114.38 117.02 1diu h ARG 43 Ca -0.48 -0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 58.33 1diu h ARG 43 Cb 1.25 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 31.18 1diu h ARG 43 CO 0.55 0.04 -0.02 -0.09 -3.11 0.00 0.00 179.97 177.34 1diu h ARG 44 N 0.06 0.60 0.02 0.20 2.43 -1.93 -1.47 114.38 114.28 1diu h ARG 44 Ca 0.21 -0.15 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1diu h ARG 44 Cb 0.32 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1diu h ARG 44 CO -0.40 0.64 -0.01 1.15 -1.51 0.00 0.00 179.97 179.84 1diu h THR 45 N 0.57 1.24 -0.67 0.20 2.02 -1.80 -2.61 112.91 111.86 1diu h THR 45 Ca 0.12 -0.80 0.10 0.00 0.77 0.00 0.00 66.41 66.59 1diu h THR 45 Cb 0.40 1.78 -0.07 0.00 -1.74 0.00 0.00 68.15 68.51 1diu h THR 45 CO 0.02 0.21 0.29 0.22 0.37 0.00 0.00 175.52 176.63 1diu h TYR 46 N -0.37 0.52 -0.10 3.16 3.20 -0.16 -2.68 116.97 120.54 1diu h TYR 46 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 1diu h TYR 46 Cb 0.35 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1diu h TYR 46 CO 0.04 0.16 -0.06 0.93 -1.64 0.00 0.00 178.16 177.59 1diu h GLU 47 N 0.50 0.14 0.00 1.82 5.08 -1.14 -2.78 114.58 118.21 1diu h GLU 47 Ca 0.33 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1diu h GLU 47 Cb 0.39 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1diu h GLU 47 CO -0.29 0.22 0.00 -1.13 -1.00 0.00 0.00 179.01 176.81 1diu n SER 48 N -4.38 0.00 -4.72 1.42 3.41 -1.00 -4.85 113.62 103.51 1diu n SER 48 Ca -0.01 -0.14 -0.42 0.00 -0.26 0.00 0.00 58.87 58.04 1diu n SER 48 Cb 0.19 -0.28 -0.03 0.00 -0.26 0.00 0.00 64.21 63.83 1diu n SER 48 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1diu s PHE 49 N -2.57 3.19 0.15 7.33 0.08 -1.05 -4.99 117.98 120.11 1diu s PHE 49 Ca 0.28 0.85 -0.22 0.00 0.12 0.00 0.00 56.93 57.96 1diu s PHE 49 Cb 0.20 -3.75 0.02 0.00 -0.57 0.00 0.00 43.02 38.91 1diu s PHE 49 CO 0.44 -2.69 1.64 -1.35 -0.10 0.00 0.00 175.22 173.17 1diu h PRO 50 N 6.82 -0.22 -5.83 0.24 0.11 -1.90 -3.39 132.00 127.83 1diu h PRO 50 Ca -0.42 0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.12 1diu h PRO 50 Cb 1.21 0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.30 1diu h PRO 50 CO 0.88 -0.14 -0.13 0.21 -0.21 0.00 0.00 178.00 178.60 1diu s LYS 51 N -6.11 4.27 -0.32 1.05 2.20 -1.26 -5.08 119.74 114.49 1diu s LYS 51 Ca -0.15 0.48 -0.00 0.00 -0.36 0.00 0.00 55.97 55.95 1diu s LYS 51 Cb 0.12 -3.39 0.10 0.00 -1.51 0.00 0.00 37.83 33.15 1diu s LYS 51 CO 0.68 0.28 0.10 1.03 -0.36 0.00 0.00 175.35 177.08 1diu s ARG 52 N 0.22 0.83 0.55 4.03 0.52 -1.26 -2.54 118.95 121.31 1diu s ARG 52 Ca 0.26 -1.22 -0.15 0.00 -0.52 0.00 0.00 55.73 54.10 1diu s ARG 52 Cb -0.16 -2.15 -0.06 0.00 0.52 0.00 0.00 34.95 33.10 1diu s ARG 52 CO 0.12 -0.99 1.01 -1.25 0.02 0.00 0.00 175.30 174.20 1diu s PRO 53 N 1.46 3.76 0.14 3.54 0.04 -1.26 -4.97 135.00 137.71 1diu s PRO 53 Ca 0.10 0.94 -0.31 0.00 0.04 0.00 0.00 61.00 61.77 1diu s PRO 53 Cb -0.18 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.18 1diu s PRO 53 CO -0.22 -0.43 1.36 -0.48 0.04 0.00 0.00 177.00 177.27 1diu s LEU 54 N -4.43 4.39 0.69 -3.56 2.34 -1.05 -5.03 118.68 112.02 1diu s LEU 54 Ca 0.59 2.35 -0.09 0.00 0.06 0.00 0.00 54.13 57.03 1diu s LEU 54 Cb -0.11 -3.59 0.03 0.00 -0.56 0.00 0.00 46.19 41.95 1diu s LEU 54 CO 0.38 -0.61 1.04 -2.16 -1.06 0.00 0.00 176.35 173.95 1diu s PRO 55 N 0.66 2.63 -1.06 1.48 0.04 -1.26 -4.51 135.00 132.98 1diu s PRO 55 Ca 0.62 0.17 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1diu s PRO 55 Cb -0.37 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1diu s PRO 55 CO 0.33 -1.06 0.00 0.39 0.04 0.00 0.00 177.00 176.70 1diu n GLU 56 N -2.93 -0.76 -3.60 4.56 1.02 -1.26 -4.94 120.64 112.74 1diu n GLU 56 Ca 0.07 0.78 -0.11 0.00 -0.02 0.00 0.00 57.16 57.88 1diu n GLU 56 Cb 0.58 -4.76 -0.03 0.00 -0.02 0.00 0.00 31.44 27.21 1diu n GLU 56 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1diu s ARG 57 N -3.29 1.25 -0.25 3.49 1.70 -1.26 -0.16 118.95 120.43 1diu s ARG 57 Ca 0.00 -0.68 -0.24 0.00 -0.47 0.00 0.00 55.73 54.34 1diu s ARG 57 Cb 0.00 0.53 -0.01 0.00 -0.57 0.00 0.00 34.95 34.90 1diu s ARG 57 CO 0.00 -0.53 0.80 0.99 -1.08 0.00 0.00 175.30 175.49 1diu s THR 58 N -3.81 4.85 -0.26 4.99 2.01 -0.80 -4.96 115.64 117.66 1diu s THR 58 Ca 0.04 1.49 -0.13 0.00 0.31 0.00 0.00 61.69 63.39 1diu s THR 58 Cb -0.00 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1diu s THR 58 CO -0.09 -0.08 0.30 0.20 -0.69 0.00 0.00 174.62 174.26 1diu s ASN 59 N 1.38 6.19 -0.21 3.53 0.02 -1.26 -0.84 114.94 123.75 1diu s ASN 59 Ca 0.34 0.21 -0.06 0.00 -1.02 0.00 0.00 52.86 52.33 1diu s ASN 59 Cb -0.15 -2.17 -0.03 0.00 0.02 0.00 0.00 41.25 38.91 1diu s ASN 59 CO 0.08 -0.10 0.03 -0.69 0.02 0.00 0.00 177.10 176.43 1diu s VAL 60 N 1.76 4.20 -0.18 1.60 1.01 -0.16 -1.22 120.40 127.41 1diu s VAL 60 Ca 0.12 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 1diu s VAL 60 Cb -0.15 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.29 1diu s VAL 60 CO 0.09 0.42 -0.00 -0.69 0.00 0.00 0.00 175.10 174.92 1diu s VAL 61 N 0.98 4.06 -0.34 2.92 1.01 -0.31 -1.63 120.40 127.09 1diu s VAL 61 Ca 0.02 -0.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 1diu s VAL 61 Cb -0.14 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 1diu s VAL 61 CO 0.02 0.45 0.28 -0.76 0.00 0.00 0.00 175.10 175.10 1diu s LEU 62 N 0.69 4.49 -0.00 3.92 1.43 -0.82 -2.12 118.68 126.27 1diu s LEU 62 Ca -0.00 -0.35 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1diu s LEU 62 Cb -0.14 -2.21 -0.00 0.00 0.03 0.00 0.00 46.19 43.87 1diu s LEU 62 CO 0.02 -0.27 0.02 0.28 0.23 0.00 0.00 176.35 176.63 1diu s THR 63 N 1.83 0.03 -1.70 5.49 -1.32 -0.44 -2.40 115.64 117.12 1diu s THR 63 Ca 0.08 -0.26 0.27 0.00 -1.21 0.00 0.00 61.69 60.57 1diu s THR 63 Cb -0.17 -0.12 0.32 0.00 -1.51 0.00 0.00 72.50 71.02 1diu s THR 63 CO 0.11 -0.14 1.66 1.41 -2.21 0.00 0.00 174.62 175.44 1diu n HIS 64 N 2.62 0.00 -2.13 9.09 8.25 -1.26 -4.27 115.22 127.51 1diu n HIS 64 Ca -0.16 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 56.90 1diu n HIS 64 Cb 0.58 -0.15 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 1diu n HIS 64 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1diu s GLN 65 N -2.51 2.92 0.33 -0.41 -0.21 -1.26 -4.93 119.66 113.60 1diu s GLN 65 Ca 0.25 0.67 0.12 0.00 0.02 0.00 0.00 55.36 56.43 1diu s GLN 65 Cb 0.19 -4.29 1.05 0.00 1.00 0.00 0.00 33.01 30.96 1diu s GLN 65 CO 0.51 -2.39 1.62 0.93 -2.12 0.00 0.00 175.29 173.84 1diu h GLU 66 N 13.54 0.16 -0.00 2.91 5.08 -2.00 -2.83 114.58 131.44 1diu h GLU 66 Ca -0.28 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 1diu h GLU 66 Cb 1.14 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1diu h GLU 66 CO 1.18 0.10 -0.02 -0.25 -1.00 0.00 0.00 179.01 179.02 1diu n ASP 67 N -5.21 0.14 -4.75 1.42 8.00 -1.26 -4.98 116.55 109.91 1diu n ASP 67 Ca 0.30 -0.54 -0.38 0.00 0.71 0.00 0.00 54.79 54.89 1diu n ASP 67 Cb 0.99 -0.15 0.04 0.00 -0.02 0.00 0.00 41.12 41.98 1diu n ASP 67 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1diu s TYR 68 N -2.36 2.35 -0.08 1.24 5.04 -1.07 -4.98 117.35 117.49 1diu s TYR 68 Ca 0.35 1.40 0.04 0.00 -2.44 0.00 0.00 57.07 56.41 1diu s TYR 68 Cb 0.21 -3.74 -0.01 0.00 0.35 0.00 0.00 41.96 38.76 1diu s TYR 68 CO 0.43 -2.73 -0.20 -0.65 -1.34 0.00 0.00 175.55 171.06 1diu s GLN 69 N -2.89 2.86 -0.34 4.97 -1.52 -1.26 -5.03 119.66 116.44 1diu s GLN 69 Ca 0.71 -0.82 0.02 0.00 -1.95 0.00 0.00 55.36 53.32 1diu s GLN 69 Cb -0.39 -2.34 0.15 0.00 -0.22 0.00 0.00 33.01 30.22 1diu s GLN 69 CO 0.46 0.33 0.37 0.00 -0.25 0.00 0.00 175.29 176.20 1diu s ALA 70 N -0.01 -0.58 0.26 6.09 0.00 -1.26 -5.12 121.76 121.14 1diu s ALA 70 Ca -0.07 -0.64 -0.31 0.00 0.00 0.00 0.00 51.96 50.94 1diu s ALA 70 Cb -0.15 -2.01 -0.12 0.00 0.00 0.00 0.00 23.12 20.84 1diu s ALA 70 CO 0.05 -1.99 1.56 1.04 0.00 0.00 0.00 175.76 176.42 1diu n GLN 71 N 4.64 2.49 -0.41 0.00 6.02 -1.26 -1.71 117.38 127.16 1diu n GLN 71 Ca 0.07 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.94 1diu n GLN 71 Cb 0.46 -2.64 0.00 0.00 1.02 0.00 0.00 30.24 29.08 1diu n GLN 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1diu n GLY 72 N 2.42 2.00 3.82 1.08 0.00 -1.26 -4.62 105.19 108.63 1diu n GLY 72 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1diu n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1diu s ALA 73 N -3.34 3.84 -0.37 4.61 0.00 -0.70 -4.75 121.76 121.06 1diu s ALA 73 Ca 0.00 -1.90 -0.10 0.00 0.00 0.00 0.00 51.96 49.96 1diu s ALA 73 Cb 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.29 1diu s ALA 73 CO 0.00 -0.14 0.19 0.08 0.00 0.00 0.00 175.76 175.89 1diu s VAL 74 N -2.47 4.48 -0.39 0.00 1.01 -0.36 -4.94 120.40 117.74 1diu s VAL 74 Ca 0.44 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 1diu s VAL 74 Cb -0.02 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1diu s VAL 74 CO 0.26 -0.23 0.36 -0.69 0.00 0.00 0.00 175.10 174.80 1diu s VAL 75 N 1.54 5.17 0.29 2.92 1.01 -1.26 -1.17 120.40 128.90 1diu s VAL 75 Ca 0.02 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.73 1diu s VAL 75 Cb -0.19 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.21 1diu s VAL 75 CO 0.06 -0.26 0.06 0.68 0.00 0.00 0.00 175.10 175.65 1diu s VAL 76 N 1.95 0.96 0.00 2.92 -7.23 -0.90 -4.99 120.40 113.11 1diu s VAL 76 Ca 0.10 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 1diu s VAL 76 Cb -0.17 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.07 1diu s VAL 76 CO 0.12 -0.04 0.57 1.41 -0.31 0.00 0.00 175.10 176.86 1diu n HIS 77 N -0.58 0.00 -3.91 2.82 -0.00 -1.26 -1.33 115.22 110.96 1diu n HIS 77 Ca -0.02 -0.11 -0.09 0.00 -0.00 0.00 0.00 57.72 57.50 1diu n HIS 77 Cb 0.66 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.99 30.62 1diu n HIS 77 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1diu s ASP 78 N -0.23 0.06 0.27 0.41 1.47 -1.26 -4.79 116.67 112.60 1diu s ASP 78 Ca 0.00 -1.01 0.04 0.00 1.18 0.00 0.00 52.55 52.76 1diu s ASP 78 Cb 0.00 0.73 0.39 0.00 -0.34 0.00 0.00 42.92 43.69 1diu s ASP 78 CO 0.00 -1.41 1.68 0.58 0.68 0.00 0.00 175.17 176.70 1diu h VAL 79 N 2.08 1.30 -0.71 2.11 2.07 -1.97 -2.67 116.25 118.46 1diu h VAL 79 Ca -0.26 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 1diu h VAL 79 Cb 1.25 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1diu h VAL 79 CO 0.34 0.46 0.40 0.00 0.02 0.00 0.00 177.57 178.79 1diu h ALA 80 N 1.29 0.91 0.00 1.67 0.00 -1.98 -0.56 119.26 120.59 1diu h ALA 80 Ca 0.03 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1diu h ALA 80 Cb 0.82 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1diu h ALA 80 CO 0.07 0.40 -0.26 0.00 0.00 0.00 0.00 179.25 179.46 1diu h ALA 81 N 1.21 1.25 0.53 0.00 0.00 -1.89 0.48 119.26 120.84 1diu h ALA 81 Ca 0.25 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1diu h ALA 81 Cb 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1diu h ALA 81 CO -0.04 0.33 -0.25 0.28 0.00 0.00 0.00 179.25 179.56 1diu h VAL 82 N 0.00 0.31 -0.66 0.00 2.07 -1.13 -1.63 116.25 115.21 1diu h VAL 82 Ca -0.00 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1diu h VAL 82 Cb 0.58 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1diu h VAL 82 CO 0.03 0.05 0.22 -0.26 0.02 0.00 0.00 177.57 177.63 1diu h PHE 83 N -1.02 1.06 -0.87 1.57 0.04 -1.09 0.12 116.94 116.75 1diu h PHE 83 Ca -0.07 -0.10 0.09 0.00 2.80 0.00 0.00 57.97 60.69 1diu h PHE 83 Cb 0.62 -0.31 -0.06 0.00 2.20 0.00 0.00 35.95 38.40 1diu h PHE 83 CO 0.01 0.85 0.56 0.00 -0.60 0.00 0.00 178.31 179.13 1diu h ALA 84 N 1.09 1.64 0.20 2.45 0.00 -0.87 -1.17 119.26 122.60 1diu h ALA 84 Ca 0.22 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1diu h ALA 84 Cb 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1diu h ALA 84 CO -0.01 0.19 -0.09 -0.92 0.00 0.00 0.00 179.25 178.42 1diu h TYR 85 N 0.87 -0.25 -1.00 0.00 3.20 -0.80 -2.89 116.97 116.11 1diu h TYR 85 Ca 0.40 -0.01 0.17 0.00 3.14 0.00 0.00 58.73 62.43 1diu h TYR 85 Cb 0.38 0.08 -0.10 0.00 1.54 0.00 0.00 36.73 38.63 1diu h TYR 85 CO -0.00 0.13 0.62 0.00 -1.64 0.00 0.00 178.16 177.27 1diu h ALA 86 N -0.02 1.64 -0.87 1.82 0.00 -0.73 -1.91 119.26 119.19 1diu h ALA 86 Ca -0.03 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1diu h ALA 86 Cb 0.48 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1diu h ALA 86 CO 0.04 0.04 0.56 0.87 0.00 0.00 0.00 179.25 180.76 1diu h LYS 87 N 0.84 1.06 0.00 0.00 1.57 -1.13 -2.04 116.57 116.87 1diu h LYS 87 Ca 0.55 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 59.26 1diu h LYS 87 Cb 0.76 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1diu h LYS 87 CO -0.33 0.70 -0.03 0.37 -0.57 0.00 0.00 179.45 179.58 1diu h GLN 88 N 1.09 0.00 0.00 3.15 4.15 -1.13 -3.40 115.11 118.97 1diu h GLN 88 Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.76 1diu h GLN 88 Cb -0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1diu h GLN 88 CO -0.11 0.03 0.00 0.72 -1.93 0.00 0.00 178.83 177.54 1diu n HIS 89 N -3.17 0.00 0.00 3.99 8.25 -0.97 -5.01 115.22 118.31 1diu n HIS 89 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1diu n HIS 89 Cb 0.27 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1diu n HIS 89 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1diu n PRO 90 N 0.00 0.00 0.01 -0.41 -0.04 -0.80 -4.72 135.00 129.04 1diu n PRO 90 Ca 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.57 1diu n PRO 90 Cb 0.00 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 33.57 1diu n PRO 90 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1diu n ASP 91 N 0.00 0.65 -4.57 3.54 5.75 -1.26 -4.76 116.55 115.89 1diu n ASP 91 Ca 0.00 -0.39 -0.34 0.00 -0.01 0.00 0.00 54.79 54.05 1diu n ASP 91 Cb 0.00 0.54 -0.11 0.00 -1.03 0.00 0.00 41.12 40.52 1diu n ASP 91 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1diu s GLN 92 N -3.05 3.28 0.36 0.11 -0.21 -1.26 -5.08 119.66 113.80 1diu s GLN 92 Ca 0.08 -0.49 -0.26 0.00 0.02 0.00 0.00 55.36 54.71 1diu s GLN 92 Cb 0.16 -2.81 -0.09 0.00 1.00 0.00 0.00 33.01 31.27 1diu s GLN 92 CO 0.76 0.47 1.06 -1.21 -2.12 0.00 0.00 175.29 174.25 1diu s GLU 93 N -0.25 4.33 -0.26 2.91 2.02 -1.26 -4.82 118.70 121.37 1diu s GLU 93 Ca 0.05 1.61 -0.12 0.00 0.02 0.00 0.00 54.97 56.52 1diu s GLU 93 Cb -0.13 -2.77 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 1diu s GLU 93 CO 0.02 -0.01 0.24 -1.17 0.02 0.00 0.00 175.26 174.36 1diu s LEU 94 N -2.22 4.06 -0.17 1.80 2.96 -1.26 -1.44 118.68 122.42 1diu s LEU 94 Ca 0.53 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 1diu s LEU 94 Cb -0.25 -2.22 0.02 0.00 0.50 0.00 0.00 46.19 44.24 1diu s LEU 94 CO 0.32 -0.05 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.41 1diu s VAL 95 N 1.57 2.05 -0.32 1.68 1.01 -0.56 -1.18 120.40 124.65 1diu s VAL 95 Ca 0.10 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 1diu s VAL 95 Cb -0.15 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1diu s VAL 95 CO 0.09 0.54 0.41 -0.63 0.00 0.00 0.00 175.10 175.51 1diu s ILE 96 N 1.19 5.12 -1.31 2.22 -1.09 0.45 -0.43 121.20 127.35 1diu s ILE 96 Ca 0.02 0.29 0.15 0.00 -2.23 0.00 0.00 60.65 58.88 1diu s ILE 96 Cb -0.14 -3.83 0.39 0.00 -1.58 0.00 0.00 42.46 37.31 1diu s ILE 96 CO -0.10 -0.06 1.32 0.00 -1.23 0.00 0.00 174.94 174.87 1diu n ALA 97 N 5.48 2.26 0.00 9.38 0.00 0.12 -0.27 120.51 137.48 1diu n ALA 97 Ca -0.08 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.21 1diu n ALA 97 Cb 0.50 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1diu n ALA 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1diu n GLY 98 N 0.88 -2.82 0.00 0.00 0.00 -1.25 -4.83 105.19 97.17 1diu n GLY 98 Ca 0.15 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1diu n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1diu n GLY 99 N -0.14 1.39 0.31 -0.02 0.00 -1.26 -1.50 105.19 103.96 1diu n GLY 99 Ca 0.00 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.41 1diu n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1diu h ALA 100 N -1.52 1.25 -0.48 4.61 0.00 -1.96 -0.23 119.26 120.93 1diu h ALA 100 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1diu h ALA 100 Cb 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1diu h ALA 100 CO 0.00 -0.07 -0.14 1.96 0.00 0.00 0.00 179.25 181.00 1diu h GLN 101 N 0.64 0.91 -0.02 0.00 4.20 -1.96 0.24 115.11 119.12 1diu h GLN 101 Ca 0.45 -0.34 -0.17 0.00 0.06 0.00 0.00 58.65 58.65 1diu h GLN 101 Cb 0.61 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 1diu h GLN 101 CO -0.35 0.99 -0.77 0.82 -0.67 0.00 0.00 178.83 178.85 1diu h ILE 102 N 0.81 1.47 -1.00 2.54 5.03 -1.68 -1.97 117.51 122.70 1diu h ILE 102 Ca 0.12 -2.42 0.05 0.00 -0.12 0.00 0.00 64.86 62.50 1diu h ILE 102 Cb 0.67 2.31 -0.06 0.00 -3.03 0.00 0.00 36.82 36.71 1diu h ILE 102 CO 0.05 0.70 0.65 -0.26 -0.68 0.00 0.00 178.15 178.62 1diu h PHE 103 N 0.11 1.22 -0.77 1.37 0.04 -0.70 -2.20 116.94 116.00 1diu h PHE 103 Ca -0.03 0.03 -0.05 0.00 2.80 0.00 0.00 57.97 60.73 1diu h PHE 103 Cb 1.35 -0.40 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 1diu h PHE 103 CO 0.02 0.66 0.29 1.15 -0.60 0.00 0.00 178.31 179.84 1diu h THR 104 N 1.22 1.26 -0.25 -1.55 2.02 -0.77 -1.41 112.91 113.43 1diu h THR 104 Ca 0.42 -0.83 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 1diu h THR 104 Cb 0.09 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1diu h THR 104 CO -0.15 0.34 -0.24 0.00 0.37 0.00 0.00 175.52 175.84 1diu h ALA 105 N 1.19 1.13 -0.44 6.16 0.00 -0.76 -2.34 119.26 124.19 1diu h ALA 105 Ca 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1diu h ALA 105 Cb 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1diu h ALA 105 CO -0.02 0.55 0.00 1.19 0.00 0.00 0.00 179.25 180.97 1diu n PHE 106 N -4.13 1.01 0.30 0.00 3.72 -0.96 -4.69 117.46 112.72 1diu n PHE 106 Ca -0.00 -0.66 0.18 0.00 -0.05 0.00 0.00 57.45 56.92 1diu n PHE 106 Cb 0.39 -0.20 1.01 0.00 -0.94 0.00 0.00 39.48 39.74 1diu n PHE 106 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1diu h LYS 107 N 2.76 0.00 -0.02 -1.08 3.64 -0.69 -1.10 116.57 120.08 1diu h LYS 107 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1diu h LYS 107 Cb 1.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1diu h LYS 107 CO 0.16 0.00 -0.03 -0.25 -2.27 0.00 0.00 179.45 177.06 1diu n ASP 108 N -3.49 2.50 -0.03 4.20 8.00 -1.26 -3.98 116.55 122.48 1diu n ASP 108 Ca -0.02 -1.81 0.04 0.00 0.71 0.00 0.00 54.79 53.71 1diu n ASP 108 Cb 0.15 0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.33 1diu n ASP 108 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1diu n ASP 109 N 0.91 2.07 -4.81 -2.24 8.00 -0.42 -5.00 116.55 115.06 1diu n ASP 109 Ca 0.15 -2.40 -0.38 0.00 0.71 0.00 0.00 54.79 52.87 1diu n ASP 109 Cb 0.52 -0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.39 1diu n ASP 109 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1diu s VAL 110 N -1.70 4.72 -0.02 2.53 0.11 -1.21 -4.57 120.40 120.25 1diu s VAL 110 Ca 0.12 1.19 0.07 0.00 -2.93 0.00 0.00 61.98 60.43 1diu s VAL 110 Cb 0.11 -3.88 -0.10 0.00 -1.53 0.00 0.00 36.38 30.97 1diu s VAL 110 CO 0.01 0.46 0.12 -0.90 -3.33 0.00 0.00 175.10 171.47 1diu n ASP 111 N 1.44 3.37 -3.97 3.54 5.68 -0.10 -4.95 116.55 121.55 1diu n ASP 111 Ca -0.08 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.05 1diu n ASP 111 Cb 0.51 1.16 -0.14 0.00 -1.14 0.00 0.00 41.12 41.51 1diu n ASP 111 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1diu s THR 112 N -2.41 0.41 -0.19 2.12 2.01 -1.10 -1.73 115.64 114.73 1diu s THR 112 Ca -0.03 -0.31 -0.04 0.00 0.31 0.00 0.00 61.69 61.62 1diu s THR 112 Cb 0.04 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.17 1diu s THR 112 CO 0.29 0.05 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.49 1diu s LEU 113 N -0.29 3.12 -0.54 4.42 1.43 0.69 -1.18 118.68 126.33 1diu s LEU 113 Ca 0.00 -0.25 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 1diu s LEU 113 Cb -0.03 -1.78 0.14 0.00 0.03 0.00 0.00 46.19 44.55 1diu s LEU 113 CO -0.00 0.07 0.39 -0.76 0.23 0.00 0.00 176.35 176.27 1diu s LEU 114 N 0.96 5.56 -0.10 1.79 1.43 0.10 -0.40 118.68 128.03 1diu s LEU 114 Ca 0.01 -2.33 0.00 0.00 -1.03 0.00 0.00 54.13 50.78 1diu s LEU 114 Cb -0.14 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 1diu s LEU 114 CO 0.01 -0.54 -0.10 0.54 0.23 0.00 0.00 176.35 176.49 1diu s VAL 115 N 0.72 3.41 -0.22 -1.59 0.11 -0.63 -1.69 120.40 120.51 1diu s VAL 115 Ca 0.11 -0.56 -0.07 0.00 -2.93 0.00 0.00 61.98 58.53 1diu s VAL 115 Cb -0.22 -2.41 -0.03 0.00 -1.53 0.00 0.00 36.38 32.19 1diu s VAL 115 CO -0.03 0.55 0.05 -0.89 -3.33 0.00 0.00 175.10 171.46 1diu s THR 116 N -0.21 4.34 -0.29 5.04 2.01 -0.56 -1.36 115.64 124.61 1diu s THR 116 Ca 0.02 -0.17 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 1diu s THR 116 Cb -0.13 -3.00 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 1diu s THR 116 CO 0.03 0.38 0.17 -0.13 -0.69 0.00 0.00 174.62 174.38 1diu s ARG 117 N 1.22 3.71 0.34 4.92 0.52 -0.36 -0.59 118.95 128.72 1diu s ARG 117 Ca 0.04 -0.47 -0.15 0.00 -0.52 0.00 0.00 55.73 54.63 1diu s ARG 117 Cb -0.14 -3.61 -0.09 0.00 0.52 0.00 0.00 34.95 31.63 1diu s ARG 117 CO 0.03 -0.27 0.76 -0.51 0.02 0.00 0.00 175.30 175.34 1diu s LEU 118 N 1.70 4.02 0.32 2.53 1.02 0.12 -1.30 118.68 127.10 1diu s LEU 118 Ca 0.06 1.31 0.17 0.00 0.02 0.00 0.00 54.13 55.69 1diu s LEU 118 Cb -0.16 -4.13 0.13 0.00 0.02 0.00 0.00 46.19 42.05 1diu s LEU 118 CO 0.09 -0.24 1.48 0.00 0.02 0.00 0.00 176.35 177.70 1diu h ALA 119 N 2.12 0.75 -4.87 4.21 0.00 -0.33 -2.82 119.26 118.31 1diu h ALA 119 Ca -0.48 -0.35 -0.26 0.00 0.00 0.00 0.00 54.91 53.82 1diu h ALA 119 Cb 1.18 -0.06 0.04 0.00 0.00 0.00 0.00 17.79 18.94 1diu h ALA 119 CO 0.65 0.48 0.04 0.41 0.00 0.00 0.00 179.25 180.83 1diu n GLY 120 N 1.19 0.98 3.15 0.00 0.00 -0.76 -4.59 105.19 105.16 1diu n GLY 120 Ca 0.02 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 43.73 1diu n GLY 120 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1diu s SER 121 N -3.21 2.33 0.19 1.61 0.15 -1.26 -1.82 113.70 111.70 1diu s SER 121 Ca 0.36 -0.39 0.07 0.00 0.70 0.00 0.00 55.95 56.69 1diu s SER 121 Cb -0.02 -0.75 -0.05 0.00 -1.71 0.00 0.00 66.02 63.50 1diu s SER 121 CO 0.24 0.15 -0.13 -0.36 1.20 0.00 0.00 173.24 174.34 1diu s PHE 122 N 0.12 1.57 -0.07 3.44 0.40 -1.26 -5.07 117.98 117.12 1diu s PHE 122 Ca -0.07 -0.63 -0.08 0.00 -0.60 0.00 0.00 56.93 55.56 1diu s PHE 122 Cb -0.13 -0.75 -0.04 0.00 0.51 0.00 0.00 43.02 42.61 1diu s PHE 122 CO 0.03 0.27 0.22 -2.00 0.70 0.00 0.00 175.22 174.44 1diu s GLU 123 N -3.64 3.56 0.00 0.44 2.12 -1.26 -5.01 118.70 114.90 1diu s GLU 123 Ca 0.20 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.51 1diu s GLU 123 Cb 0.00 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.22 1diu s GLU 123 CO 0.05 0.73 0.00 0.41 -0.54 0.00 0.00 175.26 175.91 1diu n GLY 124 N 1.73 1.58 0.00 -1.50 0.00 -1.26 -4.79 105.19 100.96 1diu n GLY 124 Ca -0.17 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1diu n GLY 124 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1diu n ASP 125 N -0.01 0.19 -3.90 1.61 5.68 -0.42 -4.98 116.55 114.73 1diu n ASP 125 Ca 0.00 -1.04 -0.19 0.00 -0.50 0.00 0.00 54.79 53.06 1diu n ASP 125 Cb 0.00 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 39.82 1diu n ASP 125 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1diu s THR 126 N -0.04 0.47 0.25 2.12 2.01 -0.96 -4.99 115.64 114.49 1diu s THR 126 Ca 0.00 -0.12 0.12 0.00 0.31 0.00 0.00 61.69 61.99 1diu s THR 126 Cb 0.00 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 1diu s THR 126 CO 0.00 0.19 -0.21 -0.54 -0.69 0.00 0.00 174.62 173.37 1diu s LYS 127 N 0.66 1.64 0.45 4.92 1.02 -1.26 -0.47 119.74 126.70 1diu s LYS 127 Ca -0.08 -1.66 -0.24 0.00 0.02 0.00 0.00 55.97 54.00 1diu s LYS 127 Cb -0.12 -1.81 -0.07 0.00 -0.52 0.00 0.00 37.83 35.31 1diu s LYS 127 CO -0.00 0.36 1.26 1.41 -0.92 0.00 0.00 175.35 177.45 1diu s MET 128 N -3.19 3.73 0.48 1.68 -2.45 0.84 -4.79 119.30 115.60 1diu s MET 128 Ca 0.27 2.02 -0.23 0.00 -1.25 0.00 0.00 55.69 56.50 1diu s MET 128 Cb -0.06 -2.53 -0.07 0.00 1.25 0.00 0.00 34.83 33.42 1diu s MET 128 CO 0.13 -0.64 1.23 0.96 1.05 0.00 0.00 175.02 177.75 1diu s ILE 129 N -1.38 2.76 0.21 10.11 -4.36 -1.26 -4.96 121.20 122.32 1diu s ILE 129 Ca 0.62 0.58 -0.31 0.00 -0.26 0.00 0.00 60.65 61.28 1diu s ILE 129 Cb -0.35 -3.30 -0.10 0.00 1.25 0.00 0.00 42.46 39.97 1diu s ILE 129 CO 0.43 0.00 1.49 -2.16 0.24 0.00 0.00 174.94 174.94 1diu s PRO 130 N -2.72 4.25 0.20 0.37 0.04 -1.26 -5.02 135.00 130.86 1diu s PRO 130 Ca 0.65 2.31 0.05 0.00 0.04 0.00 0.00 61.00 64.05 1diu s PRO 130 Cb -0.33 -3.14 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1diu s PRO 130 CO 0.40 -0.49 -0.07 -0.51 0.04 0.00 0.00 177.00 176.36 1diu s LEU 131 N 0.30 2.42 -1.01 -3.56 1.43 -1.26 -5.09 118.68 111.92 1diu s LEU 131 Ca 0.64 -1.10 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 1diu s LEU 131 Cb -0.42 -0.41 0.05 0.00 0.03 0.00 0.00 46.19 45.43 1diu s LEU 131 CO 0.38 -0.36 1.47 0.21 0.23 0.00 0.00 176.35 178.28 1diu s ASN 132 N -3.27 6.43 0.38 2.29 2.47 -1.26 -4.86 114.94 117.12 1diu s ASN 132 Ca 0.23 -1.39 0.07 0.00 0.42 0.00 0.00 52.86 52.19 1diu s ASN 132 Cb 0.03 -2.57 0.80 0.00 -1.45 0.00 0.00 41.25 38.06 1diu s ASN 132 CO 0.05 -1.58 1.97 -0.50 -3.72 0.00 0.00 177.10 173.33 1diu h TRP 133 N 9.88 0.68 0.00 0.43 4.06 -1.98 -2.54 115.95 126.48 1diu h TRP 133 Ca 0.18 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.11 1diu h TRP 133 Cb 1.01 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.94 1diu h TRP 133 CO 1.27 0.36 -0.18 -0.44 -3.56 0.00 0.00 178.44 175.90 1diu h ASP 134 N 0.68 0.00 -0.05 -3.49 3.32 -2.03 -2.47 116.42 112.38 1diu h ASP 134 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 1diu h ASP 134 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1diu h ASP 134 CO -0.09 0.18 0.00 0.47 -1.72 0.00 0.00 179.24 178.08 1diu n ASP 135 N -3.72 0.50 -4.21 6.45 8.00 -0.96 -4.89 116.55 117.73 1diu n ASP 135 Ca -0.02 -1.52 -0.14 0.00 0.71 0.00 0.00 54.79 53.83 1diu n ASP 135 Cb 0.29 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.26 1diu n ASP 135 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1diu s PHE 136 N -1.94 1.13 -0.07 1.24 0.40 -0.93 -0.01 117.98 117.80 1diu s PHE 136 Ca 0.29 -0.73 0.02 0.00 -0.60 0.00 0.00 56.93 55.90 1diu s PHE 136 Cb 0.14 -0.60 -0.03 0.00 0.51 0.00 0.00 43.02 43.04 1diu s PHE 136 CO 0.23 0.02 -0.10 0.99 0.70 0.00 0.00 175.22 177.05 1diu s THR 137 N -2.98 3.37 -0.42 0.64 2.01 0.14 -4.83 115.64 113.57 1diu s THR 137 Ca 0.11 -0.59 -0.29 0.00 0.31 0.00 0.00 61.69 61.23 1diu s THR 137 Cb 0.01 -2.37 0.03 0.00 0.01 0.00 0.00 72.50 70.17 1diu s THR 137 CO -0.00 0.58 1.11 -0.75 -0.69 0.00 0.00 174.62 174.87 1diu s LYS 138 N -0.55 3.85 0.01 4.92 2.20 -1.26 -1.43 119.74 127.48 1diu s LYS 138 Ca 0.08 0.75 -0.13 0.00 -0.36 0.00 0.00 55.97 56.30 1diu s LYS 138 Cb -0.12 -3.85 -0.34 0.00 -1.51 0.00 0.00 37.83 32.02 1diu s LYS 138 CO 0.02 -1.21 0.91 0.28 -0.36 0.00 0.00 175.35 174.99 1diu h VAL 139 N 6.05 1.19 -3.90 4.02 2.07 -1.42 -3.47 116.25 120.79 1diu h VAL 139 Ca -0.22 -2.68 -0.20 0.00 0.82 0.00 0.00 66.70 64.42 1diu h VAL 139 Cb 1.06 2.95 -0.23 0.00 -1.52 0.00 0.00 31.29 33.55 1diu h VAL 139 CO 1.09 0.83 -0.71 -0.55 0.02 0.00 0.00 177.57 178.25 1diu s SER 140 N -7.46 0.24 -0.09 0.57 0.15 -1.13 -4.99 113.70 100.99 1diu s SER 140 Ca -0.11 -0.34 -0.05 0.00 0.70 0.00 0.00 55.95 56.15 1diu s SER 140 Cb 0.05 0.06 0.04 0.00 -1.71 0.00 0.00 66.02 64.45 1diu s SER 140 CO 0.92 -0.19 0.22 -0.55 1.20 0.00 0.00 173.24 174.84 1diu s SER 141 N -0.98 -0.22 -0.03 5.45 0.15 -1.26 -1.29 113.70 115.52 1diu s SER 141 Ca -0.10 0.46 0.01 0.00 0.70 0.00 0.00 55.95 57.02 1diu s SER 141 Cb -0.07 0.37 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1diu s SER 141 CO -0.01 -0.14 -0.03 -0.60 1.20 0.00 0.00 173.24 173.66 1diu s ARG 142 N 1.01 0.58 -0.13 5.44 3.52 -0.20 -4.97 118.95 124.21 1diu s ARG 142 Ca -0.07 -0.04 -0.03 0.00 -0.13 0.00 0.00 55.73 55.45 1diu s ARG 142 Cb -0.09 -0.65 -0.03 0.00 -1.56 0.00 0.00 34.95 32.62 1diu s ARG 142 CO -0.06 -0.08 -0.02 0.99 -0.81 0.00 0.00 175.30 175.32 1diu s THR 143 N 0.84 4.10 -0.16 4.11 2.01 -1.26 -0.11 115.64 125.18 1diu s THR 143 Ca -0.10 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.61 1diu s THR 143 Cb -0.13 -2.77 0.01 0.00 0.01 0.00 0.00 72.50 69.61 1diu s THR 143 CO -0.01 0.53 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.58 1diu s VAL 144 N -0.08 2.32 -0.05 3.82 1.01 0.13 -4.99 120.40 122.56 1diu s VAL 144 Ca 0.03 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 1diu s VAL 144 Cb -0.13 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1diu s VAL 144 CO 0.02 0.53 0.23 -1.61 0.00 0.00 0.00 175.10 174.27 1diu s GLU 145 N 0.93 3.57 0.18 2.72 2.02 -1.26 -0.72 118.70 126.13 1diu s GLU 145 Ca -0.04 -0.03 0.09 0.00 0.02 0.00 0.00 54.97 55.01 1diu s GLU 145 Cb -0.15 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1diu s GLU 145 CO -0.03 0.72 -0.12 0.34 0.02 0.00 0.00 175.26 176.18 1diu s ASP 146 N -1.31 4.11 0.49 -0.19 -1.08 -1.26 -4.88 116.67 112.55 1diu s ASP 146 Ca 0.21 -0.61 0.31 0.00 -0.52 0.00 0.00 52.55 51.94 1diu s ASP 146 Cb -0.13 -0.64 1.24 0.00 -1.46 0.00 0.00 42.92 41.93 1diu s ASP 146 CO 0.10 0.11 1.92 0.71 0.52 0.00 0.00 175.17 178.53 1diu h THR 147 N 2.89 0.00 -3.62 1.71 1.35 -1.98 -3.34 112.91 109.92 1diu h THR 147 Ca -0.47 -0.48 -0.64 0.00 -0.55 0.00 0.00 66.41 64.27 1diu h THR 147 Cb 1.20 1.43 -0.15 0.00 -1.73 0.00 0.00 68.15 68.91 1diu h THR 147 CO 0.53 0.00 -0.09 0.21 -0.25 0.00 0.00 175.52 175.92 1diu s ASN 148 N -5.43 6.31 0.08 5.36 2.47 -1.26 -4.97 114.94 117.49 1diu s ASN 148 Ca 0.02 0.05 0.17 0.00 0.42 0.00 0.00 52.86 53.52 1diu s ASN 148 Cb 0.09 -2.26 0.72 0.00 -1.45 0.00 0.00 41.25 38.35 1diu s ASN 148 CO 0.52 -0.41 1.53 -0.81 -3.72 0.00 0.00 177.10 174.21 1diu n PRO 149 N 5.64 0.06 0.25 0.43 -0.04 -1.25 -0.97 135.00 139.11 1diu n PRO 149 Ca -0.05 0.31 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 1diu n PRO 149 Cb 0.49 -1.61 0.64 0.00 -0.04 0.00 0.00 33.50 32.98 1diu n PRO 149 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1diu h ALA 150 N 2.42 1.37 0.00 0.55 0.00 -1.92 -3.18 119.26 118.50 1diu h ALA 150 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1diu h ALA 150 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1diu h ALA 150 CO 0.00 0.20 -1.37 1.28 0.00 0.00 0.00 179.25 179.36 1diu n LEU 151 N -3.81 0.49 -4.66 0.00 4.77 -0.15 -1.83 117.00 111.81 1diu n LEU 151 Ca -0.02 0.10 -0.47 0.00 -0.03 0.00 0.00 56.01 55.59 1diu n LEU 151 Cb 0.26 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1diu n LEU 151 CO 0.32 -0.05 1.22 0.41 -1.33 0.00 0.00 177.39 177.96 1diu n THR 152 N -2.32 0.12 -4.09 -5.08 -1.04 -1.20 -4.56 114.28 96.10 1diu n THR 152 Ca -0.01 -0.02 -0.08 0.00 -2.04 0.00 0.00 64.05 61.90 1diu n THR 152 Cb 0.52 -1.52 -0.10 0.00 -1.82 0.00 0.00 70.33 67.41 1diu n THR 152 CO 0.00 0.00 0.00 -1.38 -0.64 0.00 0.00 175.07 173.05 1diu s HIS 153 N 1.55 0.57 -0.09 -1.42 -3.43 0.10 0.12 115.29 112.69 1diu s HIS 153 Ca 0.83 -0.97 0.02 0.00 -0.80 0.00 0.00 55.06 54.13 1diu s HIS 153 Cb -0.72 -0.39 0.01 0.00 -1.43 0.00 0.00 32.58 30.05 1diu s HIS 153 CO 0.42 -0.31 -0.14 0.99 -2.00 0.00 0.00 174.74 173.70 1diu s THR 154 N -3.55 1.35 -0.26 -5.38 2.01 -0.42 -0.69 115.64 108.70 1diu s THR 154 Ca 0.05 -0.57 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 1diu s THR 154 Cb 0.05 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.30 1diu s THR 154 CO -0.08 0.41 0.62 -0.31 -0.69 0.00 0.00 174.62 174.57 1diu s TYR 155 N 0.92 3.27 0.06 4.92 2.02 0.85 -1.22 117.35 128.18 1diu s TYR 155 Ca -0.09 0.78 0.08 0.00 -0.37 0.00 0.00 57.07 57.48 1diu s TYR 155 Cb -0.15 -2.85 -0.03 0.00 -0.40 0.00 0.00 41.96 38.53 1diu s TYR 155 CO 0.00 -0.34 -0.20 -1.21 -1.57 0.00 0.00 175.55 172.23 1diu s GLU 156 N 2.50 1.92 -0.19 -0.62 2.02 -0.46 -1.03 118.70 122.84 1diu s GLU 156 Ca 0.26 -1.07 -0.00 0.00 0.02 0.00 0.00 54.97 54.18 1diu s GLU 156 Cb -0.15 -2.11 0.01 0.00 0.10 0.00 0.00 34.13 31.97 1diu s GLU 156 CO 0.09 0.52 -0.15 0.08 0.02 0.00 0.00 175.26 175.82 1diu s VAL 157 N -0.94 2.52 0.01 2.63 1.01 -0.41 -1.60 120.40 123.62 1diu s VAL 157 Ca 0.14 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1diu s VAL 157 Cb -0.10 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1diu s VAL 157 CO 0.05 0.50 -0.26 0.26 0.00 0.00 0.00 175.10 175.66 1diu s TRP 158 N 1.27 2.30 0.01 5.22 0.52 0.47 -0.96 118.94 127.77 1diu s TRP 158 Ca 0.04 -0.43 0.05 0.00 0.02 0.00 0.00 56.10 55.78 1diu s TRP 158 Cb -0.14 -1.44 -0.02 0.00 -1.15 0.00 0.00 33.47 30.73 1diu s TRP 158 CO -0.08 0.03 -0.14 -0.65 0.02 0.00 0.00 176.95 176.13 1diu s GLN 159 N -0.88 1.08 0.05 4.98 -0.21 -0.52 -0.23 119.66 123.95 1diu s GLN 159 Ca 0.11 -0.61 -0.30 0.00 0.02 0.00 0.00 55.36 54.57 1diu s GLN 159 Cb -0.10 -1.07 -0.08 0.00 1.00 0.00 0.00 33.01 32.76 1diu s GLN 159 CO 0.00 0.28 1.70 0.21 -2.12 0.00 0.00 175.29 175.37 1diu s LYS 160 N -0.64 4.18 0.71 2.91 2.20 -0.71 0.24 119.74 128.65 1diu s LYS 160 Ca 0.04 2.36 -0.16 0.00 -0.36 0.00 0.00 55.97 57.86 1diu s LYS 160 Cb -0.06 -3.70 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 1diu s LYS 160 CO 0.00 -0.78 1.00 1.63 -0.36 0.00 0.00 175.35 176.84 1diu n LYS 161 N 6.00 0.57 0.00 4.03 5.02 0.98 -4.85 118.16 129.91 1diu n LYS 161 Ca 0.17 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1diu n LYS 161 Cb 0.41 -2.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.16 1diu n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88