#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bjj h LEU 2 N 0.00 0.00 -0.79 1.20 3.38 -1.15 -0.71 115.31 117.25 1bjj h LEU 2 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1bjj h LEU 2 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1bjj h LEU 2 CO 0.00 0.00 -0.60 -0.07 0.09 0.00 0.00 178.44 177.86 1bjj h LEU 3 N 0.00 0.01 0.11 1.67 -0.00 -1.98 -1.42 115.31 113.70 1bjj h LEU 3 Ca 0.08 -0.01 -0.29 0.00 -0.00 0.00 0.00 57.88 57.66 1bjj h LEU 3 Cb 0.43 -0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.11 1bjj h LEU 3 CO -0.00 0.61 -1.25 1.56 -0.00 0.00 0.00 178.44 179.36 1bjj h GLN 4 N 0.01 0.45 -0.63 1.13 4.20 -1.56 -2.87 115.11 115.84 1bjj h GLN 4 Ca -0.01 -0.66 0.01 0.00 0.06 0.00 0.00 58.65 58.05 1bjj h GLN 4 Cb 1.07 0.23 -0.03 0.00 0.30 0.00 0.00 27.48 29.05 1bjj h GLN 4 CO 0.08 1.30 0.41 0.35 -0.67 0.00 0.00 178.83 180.29 1bjj h PHE 5 N 0.17 0.77 -0.48 2.96 3.57 -1.30 -1.08 116.94 121.55 1bjj h PHE 5 Ca -0.17 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.42 1bjj h PHE 5 Cb 1.94 -0.26 -0.06 0.00 2.79 0.00 0.00 35.95 40.37 1bjj h PHE 5 CO 0.09 0.47 0.13 -0.91 -2.23 0.00 0.00 178.31 175.86 1bjj h ASN 6 N 0.83 0.09 -0.38 0.41 4.21 -1.25 -0.83 115.58 118.65 1bjj h ASN 6 Ca 0.24 0.07 0.05 0.00 1.21 0.00 0.00 56.30 57.87 1bjj h ASN 6 Cb -0.06 0.08 -0.05 0.00 -1.12 0.00 0.00 38.32 37.17 1bjj h ASN 6 CO -0.07 0.08 0.09 0.50 -1.29 0.00 0.00 177.43 176.74 1bjj h LYS 7 N 0.28 0.22 -0.99 0.81 3.64 -1.07 -0.66 116.57 118.80 1bjj h LYS 7 Ca 0.23 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.63 1bjj h LYS 7 Cb 0.28 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1bjj h LYS 7 CO -0.27 0.15 0.65 0.52 -2.27 0.00 0.00 179.45 178.22 1bjj h MET 8 N 0.23 1.23 -0.31 1.90 2.86 -0.45 0.62 114.93 121.00 1bjj h MET 8 Ca 0.18 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 1bjj h MET 8 Cb 0.20 -0.28 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1bjj h MET 8 CO -0.22 0.81 0.12 0.82 1.06 0.00 0.00 176.91 179.50 1bjj h ILE 9 N 1.26 1.18 -0.12 -1.22 2.04 -0.23 0.36 117.51 120.78 1bjj h ILE 9 Ca 0.39 -0.55 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1bjj h ILE 9 Cb -0.02 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1bjj h ILE 9 CO -0.12 0.19 0.07 0.50 0.00 0.00 0.00 178.15 178.79 1bjj h LYS 10 N 0.35 0.17 -0.02 2.37 3.11 -0.67 0.03 116.57 121.91 1bjj h LYS 10 Ca 0.10 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.93 1bjj h LYS 10 Cb 0.18 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1bjj h LYS 10 CO -0.01 0.16 0.01 1.49 -2.81 0.00 0.00 179.45 178.30 1bjj h GLU 12 N 0.12 0.02 -0.24 1.90 4.57 -0.64 0.92 114.58 121.22 1bjj h GLU 12 Ca 0.04 -0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.04 1bjj h GLU 12 Cb 0.04 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 1bjj h GLU 12 CO -0.01 0.01 -0.58 1.49 -1.18 0.00 0.00 179.01 178.75 1bjj h GLU 13 N 0.02 0.77 0.00 1.92 4.57 -0.23 -3.37 114.58 118.27 1bjj h GLU 13 Ca 0.01 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1bjj h GLU 13 Cb -0.00 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1bjj h GLU 13 CO -0.00 1.13 -0.79 0.25 -1.18 0.00 0.00 179.01 178.42 1bjj n THR 14 N -3.98 0.00 -0.13 0.32 -2.24 -0.01 -4.70 114.28 103.54 1bjj n THR 14 Ca -0.04 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1bjj n THR 14 Cb 0.64 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 1bjj n THR 14 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bjj n GLY 15 N 1.46 2.53 3.95 3.38 0.00 0.32 -4.99 105.19 111.83 1bjj n GLY 15 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1bjj n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bjj s LYS 16 N -0.01 3.47 -0.06 1.61 1.02 -1.25 -4.95 119.74 119.56 1bjj s LYS 16 Ca 0.00 -0.52 -0.18 0.00 0.02 0.00 0.00 55.97 55.29 1bjj s LYS 16 Cb 0.00 -2.85 -0.05 0.00 -0.52 0.00 0.00 37.83 34.42 1bjj s LYS 16 CO 0.00 0.38 0.50 -0.80 -0.92 0.00 0.00 175.35 174.51 1bjj s ASN 17 N -3.60 6.79 0.29 2.83 0.02 -1.26 -3.23 114.94 116.77 1bjj s ASN 17 Ca 0.37 0.94 -0.02 0.00 -1.02 0.00 0.00 52.86 53.12 1bjj s ASN 17 Cb -0.10 -2.30 0.62 0.00 0.02 0.00 0.00 41.25 39.49 1bjj s ASN 17 CO 0.30 0.09 1.59 0.00 0.02 0.00 0.00 177.10 179.10 1bjj h ALA 18 N 6.06 0.99 -3.12 0.60 0.00 -1.92 -3.23 119.26 118.64 1bjj h ALA 18 Ca -0.44 0.32 -0.62 0.00 0.00 0.00 0.00 54.91 54.17 1bjj h ALA 18 Cb 1.19 0.57 -0.15 0.00 0.00 0.00 0.00 17.79 19.40 1bjj h ALA 18 CO 0.71 -0.50 -0.52 0.42 0.00 0.00 0.00 179.25 179.37 1bjj s ILE 19 N -6.07 5.24 -0.49 0.00 1.01 -1.26 0.55 121.20 120.18 1bjj s ILE 19 Ca -0.13 0.14 0.22 0.00 0.00 0.00 0.00 60.65 60.87 1bjj s ILE 19 Cb 0.27 -3.43 -0.21 0.00 0.01 0.00 0.00 42.46 39.10 1bjj s ILE 19 CO 0.77 0.37 0.82 -0.81 0.00 0.00 0.00 174.94 176.09 1bjj n PRO 20 N 4.14 0.36 -0.60 2.79 -0.04 -1.25 -4.93 135.00 135.47 1bjj n PRO 20 Ca -0.15 -0.06 0.46 0.00 -0.04 0.00 0.00 63.50 63.71 1bjj n PRO 20 Cb 0.52 -1.56 0.72 0.00 -0.04 0.00 0.00 33.50 33.14 1bjj n PRO 20 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1bjj n PHE 21 N -2.00 0.13 -0.56 0.54 3.72 -1.13 -1.53 117.46 116.63 1bjj n PHE 21 Ca 0.00 0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 1bjj n PHE 21 Cb 0.46 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 1bjj n PHE 21 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1bjj n TYR 22 N -3.90 0.00 0.03 1.38 4.01 0.19 -4.68 117.16 114.20 1bjj n TYR 22 Ca 0.40 -0.19 0.03 0.00 -0.16 0.00 0.00 57.90 57.97 1bjj n TYR 22 Cb 1.75 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 40.68 1bjj n TYR 22 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bjj n ALA 23 N -0.19 2.13 -2.89 -0.72 0.00 -0.58 -4.08 120.51 114.18 1bjj n ALA 23 Ca 0.00 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.77 1bjj n ALA 23 Cb 0.36 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1bjj n ALA 23 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bjj n PHE 24 N -2.75 0.81 -4.68 0.00 3.01 -1.21 -3.81 117.46 108.82 1bjj n PHE 24 Ca -0.09 -3.26 -0.33 0.00 1.01 0.00 0.00 57.45 54.78 1bjj n PHE 24 Cb 0.77 -0.39 -0.12 0.00 -0.01 0.00 0.00 39.48 39.72 1bjj n PHE 24 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1bjj s TYR 25 N -2.83 2.87 0.00 1.38 6.14 -0.83 0.15 117.35 124.23 1bjj s TYR 25 Ca 0.33 -0.22 0.00 0.00 0.64 0.00 0.00 57.07 57.82 1bjj s TYR 25 Cb 0.41 -1.77 0.00 0.00 0.42 0.00 0.00 41.96 41.02 1bjj s TYR 25 CO -0.02 0.12 0.00 0.41 0.64 0.00 0.00 175.55 176.70 1bjj n GLY 26 N 2.76 1.34 0.09 8.97 0.00 -0.63 -1.99 105.19 115.72 1bjj n GLY 26 Ca -0.18 -0.54 -0.04 0.00 0.00 0.00 0.00 46.02 45.26 1bjj n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bjj n TYR 28 N -2.85 0.00 -2.29 0.00 4.02 -1.26 -3.24 117.16 111.54 1bjj n TYR 28 Ca -0.17 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.32 1bjj n TYR 28 Cb 0.95 -0.05 -0.03 0.00 -0.02 0.00 0.00 39.34 40.20 1bjj n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bjj n GLY 30 N 5.46 0.47 3.68 0.00 0.00 -1.25 -1.96 105.19 111.59 1bjj n GLY 30 Ca 0.13 -2.28 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 1bjj n GLY 30 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bjj n TRP 31 N 0.00 1.66 -3.69 1.61 -0.00 -1.26 -4.69 117.44 111.07 1bjj n TRP 31 Ca 0.00 0.47 0.00 0.00 -0.00 0.00 0.00 57.50 57.97 1bjj n TRP 31 Cb 0.00 -2.28 0.00 0.00 -0.00 0.00 0.00 31.31 29.03 1bjj n TRP 31 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1bjj n GLY 32 N 0.99 0.98 0.00 5.87 0.00 -1.26 -4.96 105.19 106.81 1bjj n GLY 32 Ca 0.10 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1bjj n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bjj n GLY 33 N 0.00 4.00 3.55 -0.02 0.00 -1.26 -4.83 105.19 106.64 1bjj n GLY 33 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 1bjj n GLY 33 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1bjj s GLN 34 N -3.86 0.67 0.00 1.61 -2.07 -1.20 -4.97 119.66 109.83 1bjj s GLN 34 Ca 0.00 -0.07 0.00 0.00 -1.82 0.00 0.00 55.36 53.47 1bjj s GLN 34 Cb 0.00 0.31 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 1bjj s GLN 34 CO 0.00 -0.26 0.00 0.41 -1.32 0.00 0.00 175.29 174.12 1bjj n GLY 35 N 0.23 0.06 3.38 2.60 0.00 -1.25 -4.80 105.19 105.40 1bjj n GLY 35 Ca -0.09 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 1bjj n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bjj s LYS 36 N 0.00 3.01 0.20 1.61 -0.14 -1.26 -2.08 119.74 121.07 1bjj s LYS 36 Ca 0.00 -0.73 -0.32 0.00 -1.36 0.00 0.00 55.97 53.56 1bjj s LYS 36 Cb 0.00 -2.48 -0.15 0.00 -1.68 0.00 0.00 37.83 33.52 1bjj s LYS 36 CO 0.00 0.35 1.16 -2.30 -0.76 0.00 0.00 175.35 173.80 1bjj n PRO 37 N 3.11 1.27 -0.06 -1.68 -0.02 -1.26 -4.79 135.00 131.57 1bjj n PRO 37 Ca -0.18 0.45 -0.16 0.00 -2.02 0.00 0.00 63.50 61.60 1bjj n PRO 37 Cb 0.52 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 1bjj n PRO 37 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1bjj h LYS 38 N 3.26 0.75 0.00 -0.52 6.56 -1.96 -3.47 116.57 121.19 1bjj h LYS 38 Ca -0.43 -0.52 -0.09 0.00 -1.06 0.00 0.00 60.65 58.55 1bjj h LYS 38 Cb 1.34 0.08 -0.02 0.00 -0.57 0.00 0.00 32.23 33.06 1bjj h LYS 38 CO 0.69 1.14 -0.00 -0.40 -2.06 0.00 0.00 179.45 178.82 1bjj n ASP 39 N -4.09 -0.79 -0.19 0.86 5.75 -1.26 -4.99 116.55 111.85 1bjj n ASP 39 Ca -0.06 -1.84 -0.01 0.00 -0.01 0.00 0.00 54.79 52.87 1bjj n ASP 39 Cb 0.63 1.40 0.06 0.00 -1.03 0.00 0.00 41.12 42.17 1bjj n ASP 39 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1bjj h GLY 40 N 0.93 0.47 0.84 6.12 0.00 -1.93 0.72 103.07 110.22 1bjj h GLY 40 Ca -0.14 0.15 0.02 0.00 0.00 0.00 0.00 47.33 47.36 1bjj h GLY 40 CO 0.18 -0.20 0.04 -0.84 0.00 0.00 0.00 176.54 175.72 1bjj h THR 41 N 0.03 0.94 0.00 4.70 2.02 -1.90 -1.91 112.91 116.79 1bjj h THR 41 Ca 0.28 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.41 1bjj h THR 41 Cb 0.43 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1bjj h THR 41 CO -0.55 0.02 -0.05 -0.78 0.37 0.00 0.00 175.52 174.53 1bjj h ASP 42 N 0.12 0.00 0.64 4.18 3.58 -1.60 -1.24 116.42 122.09 1bjj h ASP 42 Ca 0.07 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.38 1bjj h ASP 42 Cb 0.06 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1bjj h ASP 42 CO -0.09 0.05 -0.66 -0.09 -2.88 0.00 0.00 179.24 175.57 1bjj h ARG 43 N 0.00 0.02 -0.26 0.28 2.43 -0.13 -2.20 114.38 114.52 1bjj h ARG 43 Ca -0.00 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1bjj h ARG 43 Cb 0.09 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1bjj h ARG 43 CO 0.01 0.68 0.13 0.00 -1.51 0.00 0.00 179.97 179.28 1bjj h PHE 46 N -0.09 -0.40 -0.54 0.00 3.57 -1.03 -0.64 116.94 117.81 1bjj h PHE 46 Ca 0.03 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1bjj h PHE 46 Cb 0.12 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1bjj h PHE 46 CO -0.13 -0.23 0.36 0.28 -2.23 0.00 0.00 178.31 176.35 1bjj h VAL 47 N -0.14 1.06 -0.24 1.41 2.07 -0.71 -0.37 116.25 119.33 1bjj h VAL 47 Ca 0.14 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 1bjj h VAL 47 Cb 0.36 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1bjj h VAL 47 CO -0.35 0.11 -0.11 -0.74 0.02 0.00 0.00 177.57 176.50 1bjj h HIS 48 N 0.62 0.41 -0.24 1.57 -0.00 0.21 0.11 115.15 117.82 1bjj h HIS 48 Ca 0.22 -0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.49 1bjj h HIS 48 Cb 0.10 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 1bjj h HIS 48 CO -0.00 0.49 -0.04 -0.44 -0.00 0.00 0.00 177.93 177.94 1bjj h ASP 49 N 0.36 0.45 -0.50 3.26 3.32 0.06 -0.79 116.42 122.59 1bjj h ASP 49 Ca 0.07 -0.35 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 1bjj h ASP 49 Cb 0.42 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1bjj h ASP 49 CO 0.02 0.70 0.15 0.00 -1.72 0.00 0.00 179.24 178.40 1bjj h TYR 52 N -0.51 0.63 -0.44 0.00 -1.99 -0.97 -2.18 116.97 111.52 1bjj h TYR 52 Ca -0.05 -0.05 0.13 0.00 2.00 0.00 0.00 58.73 60.75 1bjj h TYR 52 Cb 0.38 -0.19 -0.02 0.00 2.00 0.00 0.00 36.73 38.91 1bjj h TYR 52 CO -0.05 0.57 0.33 0.78 -0.00 0.00 0.00 178.16 179.79 1bjj h GLY 53 N 0.85 0.00 2.00 3.88 0.00 0.69 0.69 103.07 111.18 1bjj h GLY 53 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1bjj h GLY 53 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.54 176.45 1bjj h ARG 54 N 0.00 0.00 -2.51 4.80 9.65 -0.65 -3.35 114.38 122.32 1bjj h ARG 54 Ca 0.21 0.00 -0.75 0.00 -1.10 0.00 0.00 59.98 58.33 1bjj h ARG 54 Cb 0.86 0.00 -0.31 0.00 -1.39 0.00 0.00 29.97 29.13 1bjj h ARG 54 CO -0.00 0.00 0.51 1.28 2.80 0.00 0.00 179.97 184.55 1bjj n LEU 55 N -2.47 6.14 0.09 3.80 7.99 0.23 -4.86 117.00 127.92 1bjj n LEU 55 Ca 0.04 -5.37 0.19 0.00 -0.01 0.00 0.00 56.01 50.86 1bjj n LEU 55 Cb 0.38 -1.07 0.75 0.00 -0.11 0.00 0.00 43.42 43.37 1bjj n LEU 55 CO 0.28 1.95 1.17 -0.37 -1.51 0.00 0.00 177.39 178.90 1bjj h VAL 56 N 2.93 0.55 -0.44 4.08 -1.51 -1.76 -2.56 116.25 117.53 1bjj h VAL 56 Ca 0.31 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.78 1bjj h VAL 56 Cb 0.51 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1bjj h VAL 56 CO 1.15 0.00 0.00 -0.46 -1.23 0.00 0.00 177.57 177.03 1bjj n ASN 59 N -4.01 3.65 -4.60 4.19 6.94 -1.26 -4.99 115.26 115.18 1bjj n ASN 59 Ca 0.06 -2.30 -0.30 0.00 -0.02 0.00 0.00 54.58 52.03 1bjj n ASN 59 Cb 0.52 -0.40 -0.09 0.00 -2.36 0.00 0.00 39.78 37.45 1bjj n ASN 59 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1bjj n ASN 67 N 0.62 4.98 -0.13 0.00 2.85 -1.26 -4.81 115.26 117.50 1bjj n ASN 67 Ca -0.13 -3.06 0.27 0.00 -0.11 0.00 0.00 54.58 51.56 1bjj n ASN 67 Cb 0.52 -1.52 0.72 0.00 1.24 0.00 0.00 39.78 40.74 1bjj n ASN 67 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 1bjj h THR 68 N 3.97 0.45 0.14 -0.44 1.35 -1.93 -0.26 112.91 116.19 1bjj h THR 68 Ca 0.40 0.00 -0.36 0.00 -0.55 0.00 0.00 66.41 65.90 1bjj h THR 68 Cb 0.68 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 1bjj h THR 68 CO 1.59 0.00 -1.93 0.11 -0.25 0.00 0.00 175.52 175.04 1bjj h LYS 69 N 0.00 0.30 0.04 4.72 1.57 -1.97 -3.38 116.57 117.85 1bjj h LYS 69 Ca 0.39 -0.51 -0.36 0.00 -1.87 0.00 0.00 60.65 58.30 1bjj h LYS 69 Cb 1.69 0.19 -0.05 0.00 0.08 0.00 0.00 32.23 34.14 1bjj h LYS 69 CO -0.00 1.24 -2.14 0.43 -0.57 0.00 0.00 179.45 178.41 1bjj n SER 70 N -3.51 1.37 -4.69 0.86 7.64 -1.08 -0.66 113.62 113.56 1bjj n SER 70 Ca -0.30 0.12 -0.53 0.00 1.01 0.00 0.00 58.87 59.18 1bjj n SER 70 Cb 1.06 -0.19 -0.06 0.00 -1.01 0.00 0.00 64.21 64.01 1bjj n SER 70 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1bjj n ASP 71 N -3.18 2.75 -4.67 6.43 -0.08 -0.13 -4.50 116.55 113.17 1bjj n ASP 71 Ca -0.32 1.04 -0.41 0.00 -1.51 0.00 0.00 54.79 53.59 1bjj n ASP 71 Cb 1.06 -1.25 -0.04 0.00 2.34 0.00 0.00 41.12 43.23 1bjj n ASP 71 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1bjj s ILE 72 N 3.26 4.91 0.46 5.18 1.01 -1.26 0.20 121.20 134.96 1bjj s ILE 72 Ca 0.94 1.58 0.06 0.00 0.00 0.00 0.00 60.65 63.22 1bjj s ILE 72 Cb -0.90 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 37.43 1bjj s ILE 72 CO 0.57 0.05 0.19 -0.72 0.00 0.00 0.00 174.94 175.03 1bjj s TYR 73 N 2.00 2.24 -0.11 3.97 -0.85 -1.26 -4.94 117.35 118.41 1bjj s TYR 73 Ca 0.37 -0.72 -0.04 0.00 -0.52 0.00 0.00 57.07 56.17 1bjj s TYR 73 Cb -0.17 -1.88 -0.04 0.00 0.38 0.00 0.00 41.96 40.26 1bjj s TYR 73 CO 0.13 0.06 0.04 0.45 -1.52 0.00 0.00 175.55 174.71 1bjj s SER 74 N -3.97 5.54 0.08 -0.18 0.15 -1.26 -4.98 113.70 109.07 1bjj s SER 74 Ca 0.32 0.21 -0.26 0.00 0.70 0.00 0.00 55.95 56.92 1bjj s SER 74 Cb 0.02 -1.68 0.08 0.00 -1.71 0.00 0.00 66.02 62.74 1bjj s SER 74 CO 0.18 0.36 0.80 -0.72 1.20 0.00 0.00 173.24 175.06 1bjj s TYR 75 N -0.74 -0.37 0.23 3.44 1.13 -1.26 -0.23 117.35 119.55 1bjj s TYR 75 Ca 0.12 0.17 -0.16 0.00 -1.41 0.00 0.00 57.07 55.80 1bjj s TYR 75 Cb -0.12 0.57 0.01 0.00 -1.10 0.00 0.00 41.96 41.32 1bjj s TYR 75 CO 0.02 -0.71 0.52 -1.54 -2.51 0.00 0.00 175.55 171.33 1bjj s SER 76 N -2.65 -0.17 -1.08 -0.18 1.04 0.25 -4.86 113.70 106.05 1bjj s SER 76 Ca 0.05 -0.71 -0.11 0.00 0.48 0.00 0.00 55.95 55.66 1bjj s SER 76 Cb -0.01 0.60 0.24 0.00 0.10 0.00 0.00 66.02 66.95 1bjj s SER 76 CO -0.08 -1.13 1.13 -0.76 0.98 0.00 0.00 173.24 173.38 1bjj s LEU 77 N -2.95 6.10 -0.61 2.42 2.01 -1.26 0.37 118.68 124.76 1bjj s LEU 77 Ca 0.15 -3.28 -0.25 0.00 0.01 0.00 0.00 54.13 50.76 1bjj s LEU 77 Cb -0.01 -2.26 0.04 0.00 0.01 0.00 0.00 46.19 43.97 1bjj s LEU 77 CO 0.04 -0.45 1.06 -0.75 1.01 0.00 0.00 176.35 177.26 1bjj s LYS 78 N -0.33 3.31 -0.93 1.70 2.20 0.10 -4.01 119.74 121.78 1bjj s LYS 78 Ca 0.31 -0.25 -0.04 0.00 -0.36 0.00 0.00 55.97 55.64 1bjj s LYS 78 Cb -0.08 -4.10 -0.04 0.00 -1.51 0.00 0.00 37.83 32.09 1bjj s LYS 78 CO -0.07 -1.71 0.80 -1.91 -0.36 0.00 0.00 175.35 172.10 1bjj n GLU 79 N 8.07 -2.86 -2.76 4.03 0.00 -1.26 -2.17 120.64 123.69 1bjj n GLU 79 Ca 0.02 0.74 -0.12 0.00 0.00 0.00 0.00 57.16 57.80 1bjj n GLU 79 Cb 0.48 -5.24 -0.01 0.00 0.00 0.00 0.00 31.44 26.67 1bjj n GLU 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1bjj n GLY 80 N -1.23 -0.49 2.89 8.31 0.00 -1.26 -4.90 105.19 108.52 1bjj n GLY 80 Ca -0.11 0.02 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1bjj n GLY 80 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bjj s TYR 81 N -2.49 1.55 -0.39 1.61 1.51 -0.92 -5.08 117.35 113.14 1bjj s TYR 81 Ca 0.13 -0.87 -0.27 0.00 -1.01 0.00 0.00 57.07 55.04 1bjj s TYR 81 Cb -0.07 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.49 1bjj s TYR 81 CO 0.15 -0.55 2.07 0.42 -1.11 0.00 0.00 175.55 176.53 1bjj s ILE 82 N 1.69 3.22 -0.04 2.71 1.01 -1.26 -0.72 121.20 127.80 1bjj s ILE 82 Ca 0.03 0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.89 1bjj s ILE 82 Cb -0.14 -3.38 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 1bjj s ILE 82 CO -0.08 -0.30 -0.06 0.42 0.00 0.00 0.00 174.94 174.92 1bjj s THR 83 N 8.94 3.76 -0.16 2.92 -4.23 0.16 -4.95 115.64 122.08 1bjj s THR 83 Ca 0.87 -0.56 -0.19 0.00 -1.18 0.00 0.00 61.69 60.64 1bjj s THR 83 Cb -0.22 -2.58 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1bjj s THR 83 CO 0.30 0.53 0.53 0.00 -0.54 0.00 0.00 174.62 175.44 1bjj s GLY 85 N 0.94 1.68 0.24 0.00 0.00 0.67 -4.93 107.32 105.93 1bjj s GLY 85 Ca 0.26 -1.17 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 1bjj s GLY 85 CO 0.11 -0.27 0.51 1.25 0.00 0.00 0.00 173.10 174.70 1bjj s LYS 86 N -5.69 3.67 0.00 2.90 2.36 -1.26 -4.78 119.74 116.95 1bjj s LYS 86 Ca 0.74 0.05 0.00 0.00 -2.55 0.00 0.00 55.97 54.21 1bjj s LYS 86 Cb -0.05 -2.69 0.00 0.00 -1.05 0.00 0.00 37.83 34.03 1bjj s LYS 86 CO 0.55 0.30 0.00 0.41 1.55 0.00 0.00 175.35 178.16 1bjj n GLY 88 N -0.52 0.58 3.92 5.54 0.00 -1.26 -4.76 105.19 108.69 1bjj n GLY 88 Ca -0.01 0.33 -0.28 0.00 0.00 0.00 0.00 46.02 46.06 1bjj n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bjj s THR 89 N 1.96 5.12 0.33 2.61 -4.23 -1.26 -4.90 115.64 115.26 1bjj s THR 89 Ca 0.00 -0.19 0.10 0.00 -1.18 0.00 0.00 61.69 60.42 1bjj s THR 89 Cb 0.00 -3.74 0.32 0.00 1.34 0.00 0.00 72.50 70.42 1bjj s THR 89 CO 0.00 -0.27 1.75 -1.13 -0.54 0.00 0.00 174.62 174.43 1bjj h ASN 90 N 1.75 0.67 -0.23 3.99 -0.73 -2.01 0.25 115.58 119.27 1bjj h ASN 90 Ca -0.48 0.12 -0.04 0.00 1.87 0.00 0.00 56.30 57.77 1bjj h ASN 90 Cb 1.19 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.79 1bjj h ASN 90 CO 0.67 0.14 -0.02 0.00 -0.37 0.00 0.00 177.43 177.85 1bjj h GLU 92 N 0.17 0.11 -0.40 0.00 5.08 -1.45 -0.48 114.58 117.61 1bjj h GLU 92 Ca 0.06 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1bjj h GLU 92 Cb 0.45 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1bjj h GLU 92 CO 0.02 0.13 0.04 0.93 -1.00 0.00 0.00 179.01 179.13 1bjj h GLU 93 N 0.05 0.62 0.16 2.33 5.08 -0.98 -0.49 114.58 121.36 1bjj h GLU 93 Ca 0.03 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1bjj h GLU 93 Cb 0.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1bjj h GLU 93 CO -0.00 0.61 -0.07 1.96 -1.00 0.00 0.00 179.01 180.50 1bjj h GLN 94 N 0.60 -0.20 -0.67 2.33 1.08 -0.70 -2.67 115.11 114.88 1bjj h GLN 94 Ca 0.13 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.41 1bjj h GLN 94 Cb 0.32 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.73 1bjj h GLN 94 CO 0.01 0.24 0.36 0.82 -0.95 0.00 0.00 178.83 179.30 1bjj h ILE 95 N -0.79 0.93 -0.72 2.54 2.04 -1.03 -0.59 117.51 119.89 1bjj h ILE 95 Ca -0.02 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.69 1bjj h ILE 95 Cb 0.53 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 1bjj h ILE 95 CO 0.04 0.12 0.40 0.00 0.00 0.00 0.00 178.15 178.70 1bjj h GLU 97 N 0.71 0.53 -0.47 0.00 4.39 -0.76 0.15 114.58 119.13 1bjj h GLU 97 Ca 0.33 -0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.04 1bjj h GLU 97 Cb 0.25 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.74 1bjj h GLU 97 CO -0.21 0.35 0.23 0.00 -1.16 0.00 0.00 179.01 178.23 1bjj h ASP 99 N 0.46 0.26 0.01 0.00 3.32 -0.82 -2.40 116.42 117.27 1bjj h ASP 99 Ca 0.21 -0.31 0.03 0.00 0.02 0.00 0.00 57.03 56.97 1bjj h ASP 99 Cb 0.12 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1bjj h ASP 99 CO -0.15 0.51 -0.21 -0.09 -1.72 0.00 0.00 179.24 177.58 1bjj h ARG 100 N 0.01 -0.33 -0.51 3.56 2.43 -0.48 -0.78 114.38 118.27 1bjj h ARG 100 Ca 0.04 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 1bjj h ARG 100 Cb 0.38 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 1bjj h ARG 100 CO 0.01 -0.22 0.23 0.28 -1.51 0.00 0.00 179.97 178.75 1bjj h VAL 101 N -0.35 0.90 -0.25 0.20 2.07 -1.24 -2.72 116.25 114.85 1bjj h VAL 101 Ca 0.06 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1bjj h VAL 101 Cb 0.42 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1bjj h VAL 101 CO -0.19 0.08 0.02 0.00 0.02 0.00 0.00 177.57 177.51 1bjj h ALA 102 N 1.31 0.34 -0.86 1.67 0.00 -1.12 -1.25 119.26 119.34 1bjj h ALA 102 Ca 0.24 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.07 1bjj h ALA 102 Cb 0.20 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1bjj h ALA 102 CO -0.20 0.04 0.47 0.00 0.00 0.00 0.00 179.25 179.56 1bjj h ALA 103 N 0.84 1.27 -0.15 0.00 0.00 -0.98 -0.64 119.26 119.60 1bjj h ALA 103 Ca 0.07 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1bjj h ALA 103 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1bjj h ALA 103 CO 0.01 0.01 -0.45 0.93 0.00 0.00 0.00 179.25 179.75 1bjj h GLU 104 N 0.72 0.56 -0.87 0.00 5.08 -1.40 -3.05 114.58 115.63 1bjj h GLU 104 Ca 0.44 -0.41 0.17 0.00 -1.00 0.00 0.00 59.36 58.56 1bjj h GLU 104 Cb 0.53 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.79 1bjj h GLU 104 CO -0.31 1.03 0.57 0.00 -1.00 0.00 0.00 179.01 179.30 1bjj h PHE 106 N 0.53 0.99 -0.12 0.00 0.04 -1.04 -1.95 116.94 115.39 1bjj h PHE 106 Ca 0.45 -0.10 -0.02 0.00 2.80 0.00 0.00 57.97 61.10 1bjj h PHE 106 Cb 0.92 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.79 1bjj h PHE 106 CO -0.00 0.82 0.01 -0.09 -0.60 0.00 0.00 178.31 178.45 1bjj h ARG 107 N 0.87 0.20 -0.29 1.51 2.43 -0.66 -2.25 114.38 116.20 1bjj h ARG 107 Ca 0.19 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 1bjj h ARG 107 Cb 0.30 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1bjj h ARG 107 CO -0.00 0.42 0.22 0.00 -1.51 0.00 0.00 179.97 179.09 1bjj h ARG 108 N -0.04 0.00 -0.69 0.20 3.08 -0.87 -1.28 114.38 114.78 1bjj h ARG 108 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1bjj h ARG 108 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1bjj h ARG 108 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 1bjj n ASN 109 N -4.33 3.91 -0.11 7.04 3.02 -0.75 -4.46 115.26 119.59 1bjj n ASN 109 Ca 0.04 -2.03 0.09 0.00 -0.03 0.00 0.00 54.58 52.66 1bjj n ASN 109 Cb 0.38 -0.47 0.45 0.00 -0.61 0.00 0.00 39.78 39.52 1bjj n ASN 109 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1bjj h LEU 110 N 4.06 0.47 -1.39 3.41 3.38 -0.63 -2.23 115.31 122.39 1bjj h LEU 110 Ca 0.00 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1bjj h LEU 110 Cb 0.99 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1bjj h LEU 110 CO 0.01 0.30 0.48 -2.24 0.09 0.00 0.00 178.44 177.08 1bjj h ASP 111 N 0.53 0.64 -0.47 -0.43 2.03 -1.79 -2.33 116.42 114.59 1bjj h ASP 111 Ca 0.28 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.58 1bjj h ASP 111 Cb 0.40 -0.13 0.00 0.00 -0.83 0.00 0.00 39.33 38.77 1bjj h ASP 111 CO -0.08 0.40 0.00 0.35 -1.03 0.00 0.00 179.24 178.88 1bjj n THR 112 N -4.49 1.62 -1.75 1.15 -2.24 -0.86 -4.98 114.28 102.73 1bjj n THR 112 Ca 0.11 -1.28 -0.42 0.00 -2.27 0.00 0.00 64.05 60.19 1bjj n THR 112 Cb 0.26 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1bjj n THR 112 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1bjj s TYR 113 N -1.74 2.73 -0.26 4.78 6.14 -0.88 -4.92 117.35 123.20 1bjj s TYR 113 Ca 0.40 0.28 0.00 0.00 0.64 0.00 0.00 57.07 58.40 1bjj s TYR 113 Cb 0.26 -4.12 0.04 0.00 0.42 0.00 0.00 41.96 38.56 1bjj s TYR 113 CO 0.19 -4.34 -0.08 1.21 0.64 0.00 0.00 175.55 173.16 1bjj s ASN 114 N 1.57 4.37 0.66 4.32 2.47 -1.26 -4.96 114.94 122.11 1bjj s ASN 114 Ca 0.76 -1.15 0.38 0.00 0.42 0.00 0.00 52.86 53.27 1bjj s ASN 114 Cb -0.48 -1.61 2.11 0.00 -1.45 0.00 0.00 41.25 39.82 1bjj s ASN 114 CO 0.33 -0.17 2.21 0.78 -3.72 0.00 0.00 177.10 176.53 1bjj h ASN 115 N 7.90 0.00 0.68 -4.21 -0.26 -1.97 0.20 115.58 117.93 1bjj h ASN 115 Ca -0.26 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 1bjj h ASN 115 Cb 1.07 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.33 1bjj h ASN 115 CO 0.53 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.51 1bjj n GLY 116 N -1.16 -1.26 0.01 2.83 0.00 -1.26 -1.93 105.19 102.42 1bjj n GLY 116 Ca -0.02 0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1bjj n GLY 116 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bjj n TYR 117 N -2.28 0.10 -2.10 1.61 4.01 0.72 -4.79 117.16 114.42 1bjj n TYR 117 Ca 0.02 0.03 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 1bjj n TYR 117 Cb 0.22 -0.26 -0.03 0.00 -0.31 0.00 0.00 39.34 38.96 1bjj n TYR 117 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 1bjj s MET 118 N -3.06 4.32 -1.18 -0.72 1.75 -0.81 -1.60 119.30 117.99 1bjj s MET 118 Ca 0.08 2.18 -0.07 0.00 -1.25 0.00 0.00 55.69 56.63 1bjj s MET 118 Cb 0.16 -3.16 0.01 0.00 2.84 0.00 0.00 34.83 34.68 1bjj s MET 118 CO 0.77 -0.38 1.03 1.19 -0.65 0.00 0.00 175.02 176.98 1bjj n PHE 119 N 2.81 -2.48 -2.71 4.11 3.72 0.40 -4.96 117.46 118.35 1bjj n PHE 119 Ca 0.08 0.89 -0.43 0.00 -0.05 0.00 0.00 57.45 57.94 1bjj n PHE 119 Cb 0.41 -4.57 -0.03 0.00 -0.94 0.00 0.00 39.48 34.36 1bjj n PHE 119 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1bjj s TYR 120 N -3.28 3.35 0.22 1.38 5.04 -0.98 -4.99 117.35 118.08 1bjj s TYR 120 Ca 0.46 1.41 -0.32 0.00 -2.44 0.00 0.00 57.07 56.19 1bjj s TYR 120 Cb -0.20 -3.21 -0.12 0.00 0.35 0.00 0.00 41.96 38.77 1bjj s TYR 120 CO 0.64 -0.43 1.72 1.03 -1.34 0.00 0.00 175.55 177.17 1bjj s ARG 121 N 2.99 4.12 0.46 4.97 1.81 -1.26 -4.74 118.95 127.29 1bjj s ARG 121 Ca 0.43 2.62 0.31 0.00 -1.72 0.00 0.00 55.73 57.36 1bjj s ARG 121 Cb -0.15 -3.07 1.63 0.00 -0.45 0.00 0.00 34.95 32.91 1bjj s ARG 121 CO 0.08 -0.75 1.94 0.22 -0.68 0.00 0.00 175.30 176.11 1bjj h ASP 122 N 6.65 0.00 0.21 0.23 1.82 -1.94 -1.17 116.42 122.22 1bjj h ASP 122 Ca -0.43 0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.15 1bjj h ASP 122 Cb 1.20 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 1bjj h ASP 122 CO 0.95 0.00 -0.24 0.77 -1.61 0.00 0.00 179.24 179.11 1bjj h SER 124 N 0.00 0.06 -0.25 2.28 4.64 -1.99 -2.01 113.55 116.29 1bjj h SER 124 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1bjj h SER 124 Cb 0.06 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1bjj h SER 124 CO 0.00 0.31 0.00 0.29 -0.87 0.00 0.00 176.83 176.56 1bjj n LYS 125 N -4.23 1.71 -1.72 4.77 5.02 -0.44 -4.03 118.16 119.25 1bjj n LYS 125 Ca -0.02 -1.09 -0.35 0.00 -2.02 0.00 0.00 58.31 54.83 1bjj n LYS 125 Cb 0.31 -1.31 0.05 0.00 -0.02 0.00 0.00 35.03 34.07 1bjj n LYS 125 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bjj s THR 127 N -4.96 4.77 -0.08 0.00 2.01 -1.26 -3.97 115.64 112.16 1bjj s THR 127 Ca 0.57 -0.97 -0.31 0.00 0.31 0.00 0.00 61.69 61.29 1bjj s THR 127 Cb 0.46 -4.52 0.12 0.00 0.01 0.00 0.00 72.50 68.57 1bjj s THR 127 CO -0.17 -1.18 1.02 -1.83 -0.69 0.00 0.00 174.62 171.77 1bjj s GLU 128 N 2.80 0.61 -0.13 4.92 -1.05 -1.26 -5.03 118.70 119.56 1bjj s GLU 128 Ca 0.13 -0.21 -0.32 0.00 -0.15 0.00 0.00 54.97 54.42 1bjj s GLU 128 Cb -0.22 0.28 -0.09 0.00 -0.44 0.00 0.00 34.13 33.66 1bjj s GLU 128 CO 0.06 -0.27 2.05 2.41 0.95 0.00 0.00 175.26 180.46 1bjj n THR 129 N -0.15 0.51 -1.67 1.83 -1.04 -1.26 -4.08 114.28 108.41 1bjj n THR 129 Ca -0.05 -0.24 -0.44 0.00 -2.04 0.00 0.00 64.05 61.28 1bjj n THR 129 Cb 0.60 -2.15 -0.02 0.00 -1.82 0.00 0.00 70.33 66.94 1bjj n THR 129 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1bjj n SER 130 N 8.75 2.59 -4.62 8.00 7.64 -1.26 -4.52 113.62 130.20 1bjj n SER 130 Ca 0.27 1.16 -0.30 0.00 1.01 0.00 0.00 58.87 61.01 1bjj n SER 130 Cb 0.36 -1.43 0.19 0.00 -1.01 0.00 0.00 64.21 62.32 1bjj n SER 130 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1bjj s GLU 131 N -0.93 0.41 -0.04 1.43 2.02 -0.88 -4.86 118.70 115.85 1bjj s GLU 131 Ca 0.64 1.09 -0.02 0.00 0.02 0.00 0.00 54.97 56.70 1bjj s GLU 131 Cb -0.64 -1.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 1bjj s GLU 131 CO 0.54 -2.90 0.07 -1.21 0.02 0.00 0.00 175.26 171.79 1bjj s GLU 132 N -4.67 3.10 0.00 1.61 0.41 -1.26 -4.99 118.70 112.90 1bjj s GLU 132 Ca 0.66 -0.42 0.25 0.00 -0.41 0.00 0.00 54.97 55.05 1bjj s GLU 132 Cb -0.22 -2.89 1.52 0.00 -1.78 0.00 0.00 34.13 30.76 1bjj s GLU 132 CO 0.60 0.68 1.87 0.00 -0.49 0.00 0.00 175.26 177.92