#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 0.23 -1.67 1.20 3.38 -0.76 0.12 115.31 117.81 1bjj h LEU 2 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1bjj h LEU 2 Cb 0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1bjj h LEU 2 CO 0.00 0.11 0.07 -0.07 0.09 0.00 0.00 178.44 178.64 1bjj h LEU 3 N 0.24 0.25 0.10 1.67 4.07 -1.98 0.63 115.31 120.29 1bjj h LEU 3 Ca 0.39 -0.02 -0.27 0.00 0.08 0.00 0.00 57.88 58.06 1bjj h LEU 3 Cb 1.16 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.83 1bjj h LEU 3 CO -0.09 0.25 -1.25 1.56 -1.08 0.00 0.00 178.44 177.83 1bjj h GLN 4 N 0.29 0.21 -0.15 1.13 4.20 -1.18 -2.97 115.11 116.64 1bjj h GLN 4 Ca 0.07 -0.36 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 1bjj h GLN 4 Cb 0.08 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1bjj h GLN 4 CO -0.01 1.15 0.08 0.35 -0.67 0.00 0.00 178.83 179.73 1bjj h PHE 5 N 0.06 0.21 -0.95 2.96 3.57 -0.88 -1.36 116.94 120.54 1bjj h PHE 5 Ca -0.13 -0.01 0.16 0.00 3.53 0.00 0.00 57.97 61.53 1bjj h PHE 5 Cb 1.94 -0.07 -0.10 0.00 2.79 0.00 0.00 35.95 40.51 1bjj h PHE 5 CO 0.05 0.22 0.56 -0.91 -2.23 0.00 0.00 178.31 176.00 1bjj h ASN 6 N 0.14 0.72 -0.34 0.41 4.21 -0.91 0.99 115.58 120.81 1bjj h ASN 6 Ca 0.05 0.09 -0.02 0.00 1.21 0.00 0.00 56.30 57.63 1bjj h ASN 6 Cb 0.08 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.23 1bjj h ASN 6 CO -0.01 0.29 0.12 0.50 -1.29 0.00 0.00 177.43 177.05 1bjj h LYS 7 N 0.75 0.51 -0.87 0.81 1.63 -1.26 -1.28 116.57 116.87 1bjj h LYS 7 Ca 0.53 -0.10 -0.02 0.00 -0.85 0.00 0.00 60.65 60.21 1bjj h LYS 7 Cb 0.75 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.26 1bjj h LYS 7 CO -0.36 0.52 0.45 0.52 -3.45 0.00 0.00 179.45 177.13 1bjj h MET 8 N 0.39 1.22 -0.43 1.90 2.86 0.11 -0.67 114.93 120.32 1bjj h MET 8 Ca 0.11 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1bjj h MET 8 Cb 0.21 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1bjj h MET 8 CO -0.01 0.91 0.05 0.82 1.06 0.00 0.00 176.91 179.75 1bjj h ILE 9 N 1.22 1.25 -0.50 -1.22 2.04 -0.66 0.73 117.51 120.36 1bjj h ILE 9 Ca 0.30 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1bjj h ILE 9 Cb 0.07 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 1bjj h ILE 9 CO -0.04 0.32 0.17 0.50 0.00 0.00 0.00 178.15 179.10 1bjj h LYS 10 N 0.57 0.74 -0.12 2.37 3.11 -0.90 0.25 116.57 122.59 1bjj h LYS 10 Ca 0.13 -0.12 -0.23 0.00 -2.81 0.00 0.00 60.65 57.62 1bjj h LYS 10 Cb 0.40 -0.13 0.01 0.00 -1.00 0.00 0.00 32.23 31.52 1bjj h LYS 10 CO 0.01 0.63 -0.83 1.49 -2.81 0.00 0.00 179.45 177.94 1bjj h GLU 12 N 0.72 0.77 0.20 1.90 4.57 -0.86 0.58 114.58 122.46 1bjj h GLU 12 Ca 0.17 -0.67 -0.31 0.00 -1.18 0.00 0.00 59.36 57.37 1bjj h GLU 12 Cb 0.19 0.15 0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1bjj h GLU 12 CO -0.01 1.27 -1.38 0.93 -1.18 0.00 0.00 179.01 178.64 1bjj h GLU 13 N 0.49 0.46 0.00 1.92 4.39 -0.59 -3.38 114.58 117.88 1bjj h GLU 13 Ca -0.07 -0.77 0.00 0.00 0.34 0.00 0.00 59.36 58.86 1bjj h GLU 13 Cb 1.46 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 1bjj h GLU 13 CO 0.17 1.36 -0.88 0.25 -1.16 0.00 0.00 179.01 178.75 1bjj n THR 14 N -3.66 0.00 0.00 1.13 -2.24 0.86 -4.69 114.28 105.67 1bjj n THR 14 Ca -0.14 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1bjj n THR 14 Cb 1.07 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 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 1.44 3.00 3.97 3.38 0.00 0.20 -4.98 105.19 112.20 1bjj n GLY 15 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.02 2.42 -0.06 1.61 1.02 -1.26 -4.93 119.74 118.53 1bjj s LYS 16 Ca 0.00 -0.70 -0.13 0.00 0.02 0.00 0.00 55.97 55.16 1bjj s LYS 16 Cb 0.00 -2.42 -0.05 0.00 -0.52 0.00 0.00 37.83 34.84 1bjj s LYS 16 CO 0.00 -0.86 0.33 -0.80 -0.92 0.00 0.00 175.35 173.10 1bjj s ASN 17 N -4.46 6.66 0.32 2.83 0.02 -1.26 -3.42 114.94 115.61 1bjj s ASN 17 Ca 0.58 0.78 0.07 0.00 -1.02 0.00 0.00 52.86 53.28 1bjj s ASN 17 Cb -0.10 -2.20 0.77 0.00 0.02 0.00 0.00 41.25 39.74 1bjj s ASN 17 CO 0.40 0.30 1.79 0.00 0.02 0.00 0.00 177.10 179.60 1bjj h ALA 18 N 5.14 1.73 -3.19 0.60 0.00 -1.93 -3.25 119.26 118.36 1bjj h ALA 18 Ca -0.50 0.07 -0.63 0.00 0.00 0.00 0.00 54.91 53.84 1bjj h ALA 18 Cb 1.21 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.72 1bjj h ALA 18 CO 0.63 -0.09 -0.62 0.42 0.00 0.00 0.00 179.25 179.59 1bjj s ILE 19 N -5.81 4.34 -0.65 0.00 1.01 -1.26 0.02 121.20 118.85 1bjj s ILE 19 Ca -0.11 -0.19 0.22 0.00 0.00 0.00 0.00 60.65 60.57 1bjj s ILE 19 Cb 0.25 -2.96 -0.22 0.00 0.01 0.00 0.00 42.46 39.54 1bjj s ILE 19 CO 0.80 0.44 0.85 -0.81 0.00 0.00 0.00 174.94 176.22 1bjj n PRO 20 N 3.92 0.24 -0.59 2.79 -0.04 -1.26 -4.92 135.00 135.15 1bjj n PRO 20 Ca -0.17 -0.05 0.47 0.00 -0.04 0.00 0.00 63.50 63.71 1bjj n PRO 20 Cb 0.52 -1.53 0.72 0.00 -0.04 0.00 0.00 33.50 33.17 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 -1.82 0.00 -0.54 0.54 3.72 -1.22 -1.59 117.46 116.56 1bjj n PHE 21 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1bjj n PHE 21 Cb 0.42 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 -3.73 0.00 0.35 1.38 4.01 0.10 -4.72 117.16 114.56 1bjj n TYR 22 Ca 0.39 -0.05 0.12 0.00 -0.16 0.00 0.00 57.90 58.20 1bjj n TYR 22 Cb 1.88 -0.00 0.12 0.00 -0.31 0.00 0.00 39.34 41.03 1bjj n TYR 22 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bjj h ALA 23 N 0.00 0.64 -1.08 -0.72 0.00 -0.26 -3.34 119.26 114.50 1bjj h ALA 23 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1bjj h ALA 23 Cb 0.38 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.87 1bjj h ALA 23 CO 0.00 0.00 -0.89 1.19 0.00 0.00 0.00 179.25 179.55 1bjj n PHE 24 N -2.47 -0.86 -5.02 0.00 3.01 -1.18 -3.83 117.46 107.11 1bjj n PHE 24 Ca 0.02 -3.00 -0.31 0.00 1.01 0.00 0.00 57.45 55.17 1bjj n PHE 24 Cb 0.49 0.39 -0.14 0.00 -0.01 0.00 0.00 39.48 40.21 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 -1.47 2.45 0.00 1.38 6.14 -0.44 0.16 117.35 125.58 1bjj s TYR 25 Ca 0.31 -0.34 0.00 0.00 0.64 0.00 0.00 57.07 57.68 1bjj s TYR 25 Cb 0.35 -1.50 0.00 0.00 0.42 0.00 0.00 41.96 41.23 1bjj s TYR 25 CO -0.06 0.10 0.00 0.41 0.64 0.00 0.00 175.55 176.64 1bjj n GLY 26 N 2.12 1.55 0.02 8.97 0.00 -0.66 -1.92 105.19 115.27 1bjj n GLY 26 Ca -0.16 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.33 0.00 -2.86 0.00 4.02 -1.26 -2.86 117.16 111.87 1bjj n TYR 28 Ca -0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.40 1bjj n TYR 28 Cb 0.63 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.91 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 5.26 0.88 3.60 0.00 0.00 -1.25 -1.33 105.19 112.36 1bjj n GLY 30 Ca -0.02 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.65 1bjj n GLY 30 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bjj s TRP 31 N -1.23 1.44 0.00 1.61 -0.11 -1.26 -4.66 118.94 114.72 1bjj s TRP 31 Ca 0.00 0.53 0.00 0.00 1.22 0.00 0.00 56.10 57.85 1bjj s TRP 31 Cb 0.00 -4.01 0.00 0.00 -1.50 0.00 0.00 33.47 27.96 1bjj s TRP 31 CO 0.00 -3.71 0.00 0.41 -4.62 0.00 0.00 176.95 169.03 1bjj n GLY 32 N 5.54 -0.67 0.00 5.86 0.00 -1.26 -5.09 105.19 109.57 1bjj n GLY 32 Ca 0.26 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 4.39 3.62 -0.02 0.00 -1.26 -4.71 105.19 107.21 1bjj n GLY 33 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.35 0.42 2.02 1.61 -2.07 -1.13 -5.00 119.66 112.17 1bjj s GLN 34 Ca 0.00 -0.23 0.00 0.00 -1.82 0.00 0.00 55.36 53.31 1bjj s GLN 34 Cb 0.00 0.15 0.00 0.00 -1.09 0.00 0.00 33.01 32.07 1bjj s GLN 34 CO 0.00 -0.19 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 1bjj n GLY 35 N -0.46 -0.41 3.32 2.60 0.00 -1.26 -4.74 105.19 104.24 1bjj n GLY 35 Ca -0.08 -1.35 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 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 2.07 0.09 1.61 -0.14 -1.26 -2.06 119.74 120.05 1bjj s LYS 36 Ca 0.00 -0.95 -0.36 0.00 -1.36 0.00 0.00 55.97 53.30 1bjj s LYS 36 Cb 0.00 -2.04 -0.15 0.00 -1.68 0.00 0.00 37.83 33.96 1bjj s LYS 36 CO 0.00 0.55 1.49 -2.30 -0.76 0.00 0.00 175.35 174.33 1bjj n PRO 37 N 2.32 1.61 -0.12 -1.68 -0.02 -1.26 -4.77 135.00 131.08 1bjj n PRO 37 Ca -0.16 0.58 -0.10 0.00 -2.02 0.00 0.00 63.50 61.79 1bjj n PRO 37 Cb 0.51 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.68 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 5.49 0.58 0.00 -0.52 6.56 -1.96 -3.47 116.57 123.26 1bjj h LYS 38 Ca -0.47 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 58.96 1bjj h LYS 38 Cb 1.30 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 1bjj h LYS 38 CO 0.84 0.68 0.00 -0.40 -2.06 0.00 0.00 179.45 178.51 1bjj n ASP 39 N -4.56 0.00 0.09 0.86 5.75 -1.26 -5.01 116.55 112.42 1bjj n ASP 39 Ca -0.02 -0.09 -0.13 0.00 -0.01 0.00 0.00 54.79 54.54 1bjj n ASP 39 Cb 0.24 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.25 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 0.00 -0.21 0.58 6.12 0.00 -1.92 -0.72 103.07 106.92 1bjj h GLY 40 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.47 1bjj h GLY 40 CO 0.00 -0.08 0.25 -0.84 0.00 0.00 0.00 176.54 175.88 1bjj h THR 41 N -0.43 0.88 -0.61 4.70 2.02 -1.91 -0.63 112.91 116.94 1bjj h THR 41 Ca -0.02 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1bjj h THR 41 Cb 0.34 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 1bjj h THR 41 CO 0.03 0.09 0.36 -0.78 0.37 0.00 0.00 175.52 175.59 1bjj h ASP 42 N 0.47 0.73 0.37 4.18 3.58 -1.90 -1.43 116.42 122.42 1bjj h ASP 42 Ca 0.26 -0.04 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 1bjj h ASP 42 Cb 0.24 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 1bjj h ASP 42 CO -0.22 0.56 -0.34 -0.09 -2.88 0.00 0.00 179.24 176.27 1bjj h ARG 43 N 0.84 0.00 -0.63 0.28 2.43 0.38 -2.22 114.38 115.46 1bjj h ARG 43 Ca 0.22 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 1bjj h ARG 43 Cb -0.02 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1bjj h ARG 43 CO -0.04 0.34 0.39 0.00 -1.51 0.00 0.00 179.97 179.16 1bjj h PHE 46 N 0.79 0.49 -0.56 0.00 3.57 -0.95 -1.59 116.94 118.68 1bjj h PHE 46 Ca 0.16 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 1bjj h PHE 46 Cb 0.47 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1bjj h PHE 46 CO 0.03 0.23 0.06 0.28 -2.23 0.00 0.00 178.31 176.69 1bjj h VAL 47 N 0.51 1.25 -0.35 1.41 2.07 -1.07 -2.32 116.25 117.75 1bjj h VAL 47 Ca 0.23 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.80 1bjj h VAL 47 Cb 0.15 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1bjj h VAL 47 CO -0.17 0.36 0.15 -0.74 0.02 0.00 0.00 177.57 177.19 1bjj h HIS 48 N 0.86 0.27 -0.15 1.57 -0.00 -0.61 0.21 115.15 117.31 1bjj h HIS 48 Ca 0.17 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.59 1bjj h HIS 48 Cb 0.43 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 1bjj h HIS 48 CO 0.03 0.13 -0.04 -0.44 -0.00 0.00 0.00 177.93 177.61 1bjj h ASP 49 N 0.31 -0.15 -0.84 3.26 5.19 -1.06 0.19 116.42 123.32 1bjj h ASP 49 Ca 0.16 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.65 1bjj h ASP 49 Cb 0.10 0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.66 1bjj h ASP 49 CO -0.14 -0.05 0.55 0.00 -3.12 0.00 0.00 179.24 176.49 1bjj h TYR 52 N -0.66 1.25 -1.01 0.00 -1.99 -0.26 -2.19 116.97 112.11 1bjj h TYR 52 Ca -0.06 -0.00 0.27 0.00 2.00 0.00 0.00 58.73 60.93 1bjj h TYR 52 Cb 0.51 -0.41 -0.06 0.00 2.00 0.00 0.00 36.73 38.77 1bjj h TYR 52 CO -0.05 0.83 0.69 0.78 -0.00 0.00 0.00 178.16 180.41 1bjj h GLY 53 N 1.31 0.51 1.43 3.88 0.00 0.65 0.27 103.07 111.11 1bjj h GLY 53 Ca 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1bjj h GLY 53 CO -0.06 -0.04 0.00 0.54 0.00 0.00 0.00 176.54 176.97 1bjj n ARG 54 N -4.39 0.57 -2.34 4.80 1.74 -0.82 -3.92 116.66 112.29 1bjj n ARG 54 Ca 0.22 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.95 1bjj n ARG 54 Cb 0.96 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.92 1bjj n ARG 54 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1bjj n LEU 55 N -1.21 6.38 -0.41 0.55 4.32 0.96 -4.89 117.00 122.69 1bjj n LEU 55 Ca 0.17 -5.16 0.34 0.00 -0.02 0.00 0.00 56.01 51.34 1bjj n LEU 55 Cb 0.20 -0.86 0.62 0.00 -1.62 0.00 0.00 43.42 41.76 1bjj n LEU 55 CO 0.22 2.02 1.21 -0.37 -1.22 0.00 0.00 177.39 179.25 1bjj h VAL 56 N 2.32 0.17 -0.38 4.08 -1.51 -1.74 -1.26 116.25 117.92 1bjj h VAL 56 Ca 0.44 -0.04 -0.02 0.00 -1.23 0.00 0.00 66.70 65.85 1bjj h VAL 56 Cb 0.38 0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 29.55 1bjj h VAL 56 CO 1.16 0.02 0.01 -0.46 -1.23 0.00 0.00 177.57 177.07 1bjj n ASN 59 N -4.76 4.45 -4.70 4.19 6.94 -1.26 -4.97 115.26 115.15 1bjj n ASN 59 Ca 0.36 -3.03 -0.29 0.00 -0.02 0.00 0.00 54.58 51.59 1bjj n ASN 59 Cb 1.33 -0.60 -0.08 0.00 -2.36 0.00 0.00 39.78 38.07 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 0.40 5.36 0.26 0.00 2.85 -1.26 -4.81 115.26 118.05 1bjj n ASN 67 Ca -0.10 -3.09 0.13 0.00 -0.11 0.00 0.00 54.58 51.41 1bjj n ASN 67 Cb 0.53 -1.48 0.72 0.00 1.24 0.00 0.00 39.78 40.79 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 4.04 0.00 0.03 -0.44 1.35 -1.93 -0.90 112.91 115.06 1bjj h THR 68 Ca 0.32 0.00 -0.32 0.00 -0.55 0.00 0.00 66.41 65.86 1bjj h THR 68 Cb 0.75 0.58 -0.04 0.00 -1.73 0.00 0.00 68.15 67.72 1bjj h THR 68 CO 1.37 0.00 -1.74 0.29 -0.25 0.00 0.00 175.52 175.19 1bjj n LYS 69 N -2.57 0.62 -0.00 4.72 5.02 -1.26 -4.43 118.16 120.25 1bjj n LYS 69 Ca -0.02 0.42 0.07 0.00 -2.02 0.00 0.00 58.31 56.76 1bjj n LYS 69 Cb 0.25 -1.68 -0.10 0.00 -0.02 0.00 0.00 35.03 33.47 1bjj n LYS 69 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1bjj n SER 70 N -4.08 1.14 -4.63 4.39 3.41 -1.17 -0.10 113.62 112.58 1bjj n SER 70 Ca -0.37 -0.39 -0.45 0.00 -0.26 0.00 0.00 58.87 57.40 1bjj n SER 70 Cb 0.83 1.38 -0.04 0.00 -0.26 0.00 0.00 64.21 66.12 1bjj n SER 70 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1bjj n ASP 71 N -1.72 3.52 -4.70 4.04 -0.08 -0.35 -4.55 116.55 112.71 1bjj n ASP 71 Ca -0.00 0.69 -0.42 0.00 -1.51 0.00 0.00 54.79 53.55 1bjj n ASP 71 Cb 0.32 -1.46 -0.03 0.00 2.34 0.00 0.00 41.12 42.29 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 5.64 4.86 0.53 5.18 -1.09 -1.26 -0.09 121.20 134.97 1bjj s ILE 72 Ca 0.95 2.01 0.02 0.00 -2.23 0.00 0.00 60.65 61.39 1bjj s ILE 72 Cb -0.53 -4.30 0.00 0.00 -1.58 0.00 0.00 42.46 36.06 1bjj s ILE 72 CO 0.44 0.13 0.09 -0.72 -1.23 0.00 0.00 174.94 173.65 1bjj s TYR 73 N 1.24 1.74 -0.19 3.97 -0.85 -1.26 -4.92 117.35 117.08 1bjj s TYR 73 Ca 0.50 -0.96 -0.01 0.00 -0.52 0.00 0.00 57.07 56.08 1bjj s TYR 73 Cb -0.20 -1.66 0.00 0.00 0.38 0.00 0.00 41.96 40.48 1bjj s TYR 73 CO 0.25 0.06 -0.12 0.45 -1.52 0.00 0.00 175.55 174.67 1bjj s SER 74 N -3.98 3.82 0.16 -0.18 0.15 -1.26 -5.00 113.70 107.41 1bjj s SER 74 Ca 0.09 -0.48 -0.06 0.00 0.70 0.00 0.00 55.95 56.21 1bjj s SER 74 Cb 0.00 -1.62 -0.02 0.00 -1.71 0.00 0.00 66.02 62.67 1bjj s SER 74 CO 0.05 0.02 0.21 -0.72 1.20 0.00 0.00 173.24 174.00 1bjj s TYR 75 N 1.21 0.63 0.18 3.44 1.13 -1.26 0.17 117.35 122.85 1bjj s TYR 75 Ca 0.02 -0.98 -0.23 0.00 -1.41 0.00 0.00 57.07 54.47 1bjj s TYR 75 Cb -0.14 -0.23 0.06 0.00 -1.10 0.00 0.00 41.96 40.54 1bjj s TYR 75 CO -0.05 -0.67 0.68 -1.54 -2.51 0.00 0.00 175.55 171.46 1bjj s SER 76 N -3.02 -0.44 -0.81 -0.18 1.04 0.55 -4.85 113.70 105.99 1bjj s SER 76 Ca 0.22 -0.21 -0.18 0.00 0.48 0.00 0.00 55.95 56.26 1bjj s SER 76 Cb 0.05 0.62 0.14 0.00 0.10 0.00 0.00 66.02 66.93 1bjj s SER 76 CO 0.03 -1.06 0.94 -0.76 0.98 0.00 0.00 173.24 173.37 1bjj s LEU 77 N -2.79 5.47 -0.57 2.42 2.01 -1.26 0.32 118.68 124.27 1bjj s LEU 77 Ca 0.05 -1.97 -0.18 0.00 0.01 0.00 0.00 54.13 52.03 1bjj s LEU 77 Cb -0.03 -2.34 0.10 0.00 0.01 0.00 0.00 46.19 43.94 1bjj s LEU 77 CO -0.06 -0.99 0.66 -0.54 1.01 0.00 0.00 176.35 176.43 1bjj s LYS 78 N 2.22 3.05 -0.55 1.70 1.02 0.31 -4.24 119.74 123.23 1bjj s LYS 78 Ca 0.24 -1.31 -0.00 0.00 0.02 0.00 0.00 55.97 54.92 1bjj s LYS 78 Cb -0.11 -4.24 -0.00 0.00 -0.52 0.00 0.00 37.83 32.95 1bjj s LYS 78 CO -0.04 -1.46 0.46 -1.91 -0.92 0.00 0.00 175.35 171.48 1bjj n GLU 79 N 6.15 -2.91 -1.49 1.68 0.00 -1.26 -2.98 120.64 119.83 1bjj n GLU 79 Ca -0.10 0.40 -0.17 0.00 0.00 0.00 0.00 57.16 57.29 1bjj n GLU 79 Cb 0.43 -4.02 -0.07 0.00 0.00 0.00 0.00 31.44 27.77 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 -1.09 1.62 3.16 8.31 0.00 -1.26 -4.94 105.19 110.99 1bjj n GLY 80 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.43 2.44 -0.11 1.61 2.02 -1.16 -5.08 117.35 114.64 1bjj s TYR 81 Ca 0.00 -1.11 -0.29 0.00 -0.37 0.00 0.00 57.07 55.30 1bjj s TYR 81 Cb 0.00 -1.66 -0.04 0.00 -0.40 0.00 0.00 41.96 39.86 1bjj s TYR 81 CO 0.00 -0.49 1.55 0.42 -1.57 0.00 0.00 175.55 175.46 1bjj s ILE 82 N 0.64 3.78 -0.03 2.71 1.01 -1.26 -0.53 121.20 127.51 1bjj s ILE 82 Ca -0.12 0.94 0.06 0.00 0.00 0.00 0.00 60.65 61.52 1bjj s ILE 82 Cb -0.16 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 1bjj s ILE 82 CO 0.03 -0.11 -0.21 -0.89 0.00 0.00 0.00 174.94 173.75 1bjj s THR 83 N 4.07 1.72 -0.14 2.92 2.01 0.15 -4.93 115.64 121.44 1bjj s THR 83 Ca 0.68 -0.90 -0.21 0.00 0.31 0.00 0.00 61.69 61.57 1bjj s THR 83 Cb -0.29 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1bjj s THR 83 CO 0.26 0.49 0.62 0.00 -0.69 0.00 0.00 174.62 175.30 1bjj s GLY 85 N 0.95 1.66 0.20 0.00 0.00 0.44 -4.94 107.32 105.64 1bjj s GLY 85 Ca 0.31 -0.89 -0.27 0.00 0.00 0.00 0.00 44.72 43.88 1bjj s GLY 85 CO 0.13 -0.21 0.84 1.25 0.00 0.00 0.00 173.10 175.11 1bjj s LYS 86 N -5.60 4.66 0.00 2.90 2.20 -1.26 -4.74 119.74 117.90 1bjj s LYS 86 Ca 0.69 1.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.57 1bjj s LYS 86 Cb -0.09 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 1bjj s LYS 86 CO 0.53 0.53 0.00 0.41 -0.36 0.00 0.00 175.35 176.46 1bjj n GLY 88 N 1.46 2.24 3.87 5.54 0.00 -1.26 -4.85 105.19 112.19 1bjj n GLY 88 Ca -0.04 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.21 4.70 0.26 2.61 -4.23 -1.26 -4.79 115.64 112.72 1bjj s THR 89 Ca 0.00 0.88 -0.02 0.00 -1.18 0.00 0.00 61.69 61.37 1bjj s THR 89 Cb 0.00 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 70.28 1bjj s THR 89 CO 0.00 -1.00 1.67 -1.13 -0.54 0.00 0.00 174.62 173.62 1bjj h ASN 90 N 0.05 0.01 -0.05 3.99 -0.73 -2.02 0.57 115.58 117.40 1bjj h ASN 90 Ca -0.45 0.17 -0.00 0.00 1.87 0.00 0.00 56.30 57.89 1bjj h ASN 90 Cb 1.19 0.23 -0.00 0.00 0.27 0.00 0.00 38.32 40.01 1bjj h ASN 90 CO 0.62 -0.08 0.02 0.00 -0.37 0.00 0.00 177.43 177.61 1bjj h GLU 92 N -0.10 -0.27 -0.25 0.00 5.08 -1.65 -0.40 114.58 116.99 1bjj h GLU 92 Ca 0.02 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1bjj h GLU 92 Cb 0.18 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1bjj h GLU 92 CO -0.00 -0.18 0.07 0.93 -1.00 0.00 0.00 179.01 178.83 1bjj h GLU 93 N -0.28 0.17 0.01 2.33 5.08 -0.88 -1.52 114.58 119.48 1bjj h GLU 93 Ca 0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1bjj h GLU 93 Cb 0.27 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1bjj h GLU 93 CO -0.04 0.11 -0.00 1.96 -1.00 0.00 0.00 179.01 180.04 1bjj h GLN 94 N 0.17 -0.01 -0.54 2.33 1.08 -0.89 -2.30 115.11 114.95 1bjj h GLN 94 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 1bjj h GLN 94 Cb 0.10 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.50 1bjj h GLN 94 CO -0.13 0.24 0.35 0.82 -0.95 0.00 0.00 178.83 179.15 1bjj h ILE 95 N -0.25 1.14 -0.52 2.54 2.04 -1.04 -1.32 117.51 120.11 1bjj h ILE 95 Ca -0.00 -0.28 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1bjj h ILE 95 Cb 0.25 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1bjj h ILE 95 CO 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 178.15 178.27 1bjj h GLU 97 N 0.82 1.04 -0.39 0.00 4.57 -0.69 0.55 114.58 120.48 1bjj h GLU 97 Ca 0.15 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 58.09 1bjj h GLU 97 Cb 0.53 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 1bjj h GLU 97 CO 0.03 0.89 0.13 0.00 -1.18 0.00 0.00 179.01 178.89 1bjj h ASP 99 N 0.48 -0.01 0.23 0.00 5.19 -0.73 -1.75 116.42 119.83 1bjj h ASP 99 Ca 0.13 -0.15 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1bjj h ASP 99 Cb 0.23 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 1bjj h ASP 99 CO -0.01 0.14 -0.31 -0.09 -3.12 0.00 0.00 179.24 175.86 1bjj h ARG 100 N -0.17 -0.53 -0.81 3.56 2.43 0.17 -1.19 114.38 117.84 1bjj h ARG 100 Ca -0.00 0.04 0.20 0.00 -0.81 0.00 0.00 59.98 59.40 1bjj h ARG 100 Cb 0.16 0.12 -0.14 0.00 -0.42 0.00 0.00 29.97 29.69 1bjj h ARG 100 CO 0.00 -0.36 0.08 0.28 -1.51 0.00 0.00 179.97 178.47 1bjj h VAL 101 N -0.55 0.31 -0.29 0.20 2.07 -1.35 -1.03 116.25 115.61 1bjj h VAL 101 Ca -0.03 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1bjj h VAL 101 Cb 0.50 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1bjj h VAL 101 CO -0.08 0.02 0.13 0.00 0.02 0.00 0.00 177.57 177.66 1bjj h ALA 102 N 1.75 0.38 -0.87 1.67 0.00 -1.05 -1.28 119.26 119.85 1bjj h ALA 102 Ca 0.47 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.31 1bjj h ALA 102 Cb 0.88 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1bjj h ALA 102 CO -0.68 -0.03 0.57 0.00 0.00 0.00 0.00 179.25 179.11 1bjj h ALA 103 N 0.97 1.48 -0.14 0.00 0.00 0.06 -1.29 119.26 120.34 1bjj h ALA 103 Ca 0.10 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 1bjj h ALA 103 Cb 0.16 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.67 1bjj h ALA 103 CO -0.01 0.42 -0.71 0.93 0.00 0.00 0.00 179.25 179.88 1bjj h GLU 104 N 1.06 0.74 -0.82 0.00 5.08 -1.29 -3.13 114.58 116.22 1bjj h GLU 104 Ca 0.35 -0.60 0.12 0.00 -1.00 0.00 0.00 59.36 58.23 1bjj h GLU 104 Cb 0.07 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 1bjj h GLU 104 CO -0.11 1.21 0.43 0.00 -1.00 0.00 0.00 179.01 179.54 1bjj h PHE 106 N 0.66 0.62 -0.22 0.00 0.04 -1.21 -2.64 116.94 114.19 1bjj h PHE 106 Ca 0.42 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.21 1bjj h PHE 106 Cb 0.52 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1bjj h PHE 106 CO -0.09 0.36 0.12 -0.09 -0.60 0.00 0.00 178.31 178.01 1bjj h ARG 107 N 0.66 0.30 -0.06 1.51 2.43 -1.06 -2.21 114.38 115.95 1bjj h ARG 107 Ca 0.21 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.37 1bjj h ARG 107 Cb 0.00 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1bjj h ARG 107 CO -0.09 0.27 0.10 0.00 -1.51 0.00 0.00 179.97 178.74 1bjj h ARG 108 N 0.25 0.00 -0.47 0.20 3.08 -1.04 -1.39 114.38 115.01 1bjj h ARG 108 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1bjj h ARG 108 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1bjj h ARG 108 CO -0.01 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.98 1bjj n ASN 109 N -3.55 3.49 0.21 7.04 3.02 -0.91 -4.55 115.26 120.01 1bjj n ASN 109 Ca -0.01 -2.15 0.11 0.00 -0.03 0.00 0.00 54.58 52.49 1bjj n ASN 109 Cb 0.18 -0.37 0.67 0.00 -0.61 0.00 0.00 39.78 39.66 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 2.80 0.00 -0.94 3.41 3.38 -0.66 -2.31 115.31 120.98 1bjj h LEU 110 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1bjj h LEU 110 Cb 0.95 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 1bjj h LEU 110 CO 0.05 0.00 0.58 -2.24 0.09 0.00 0.00 178.44 176.92 1bjj h ASP 111 N 0.00 1.12 -0.58 -0.43 2.03 -1.80 -2.53 116.42 114.22 1bjj h ASP 111 Ca 0.06 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1bjj h ASP 111 Cb 0.23 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.44 1bjj h ASP 111 CO -0.00 0.85 0.00 0.35 -1.03 0.00 0.00 179.24 179.41 1bjj n THR 112 N -4.38 0.88 -1.67 1.15 -2.24 -0.89 -4.93 114.28 102.20 1bjj n THR 112 Ca 0.10 -0.81 -0.47 0.00 -2.27 0.00 0.00 64.05 60.61 1bjj n THR 112 Cb 0.05 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 1bjj n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bjj n TYR 113 N 1.18 2.30 -4.06 4.78 4.19 -0.96 -4.94 117.16 119.66 1bjj n TYR 113 Ca 0.20 0.15 -0.33 0.00 3.31 0.00 0.00 57.90 61.23 1bjj n TYR 113 Cb 0.53 -2.60 -0.15 0.00 0.49 0.00 0.00 39.34 37.61 1bjj n TYR 113 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 1bjj s ASN 114 N 2.19 3.92 0.44 2.98 3.84 -1.26 -4.98 114.94 122.07 1bjj s ASN 114 Ca 0.84 -0.96 0.30 0.00 0.21 0.00 0.00 52.86 53.25 1bjj s ASN 114 Cb -0.68 -1.56 1.54 0.00 -0.55 0.00 0.00 41.25 40.00 1bjj s ASN 114 CO 0.43 -0.10 1.91 0.78 -2.79 0.00 0.00 177.10 177.33 1bjj h ASN 115 N 7.90 0.00 0.13 -4.21 -0.26 -1.97 -0.97 115.58 116.20 1bjj h ASN 115 Ca -0.33 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 1bjj h ASN 115 Cb 1.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.36 1bjj h ASN 115 CO 0.56 0.00 0.00 0.61 -1.06 0.00 0.00 177.43 177.54 1bjj n GLY 116 N -0.90 -0.98 0.01 2.83 0.00 -1.26 -2.48 105.19 102.41 1bjj n GLY 116 Ca -0.01 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.07 0.03 -2.05 1.61 4.01 -0.37 -4.79 117.16 114.53 1bjj n TYR 117 Ca 0.20 0.01 -0.39 0.00 -0.16 0.00 0.00 57.90 57.56 1bjj n TYR 117 Cb 0.13 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 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 -3.41 3.74 -1.47 -0.72 1.75 -1.04 -1.65 119.30 116.51 1bjj s MET 118 Ca -0.04 2.08 -0.11 0.00 -1.25 0.00 0.00 55.69 56.37 1bjj s MET 118 Cb 0.14 -2.56 0.06 0.00 2.84 0.00 0.00 34.83 35.31 1bjj s MET 118 CO 0.90 -0.65 0.85 1.19 -0.65 0.00 0.00 175.02 176.66 1bjj n PHE 119 N -0.27 -2.24 -2.77 4.11 3.72 0.43 -4.92 117.46 115.53 1bjj n PHE 119 Ca 0.06 0.77 -0.43 0.00 -0.05 0.00 0.00 57.45 57.80 1bjj n PHE 119 Cb 0.45 -4.04 -0.03 0.00 -0.94 0.00 0.00 39.48 34.92 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 -3.21 3.06 0.14 1.38 6.14 -0.92 -4.97 117.35 118.97 1bjj s TYR 120 Ca 0.54 0.79 -0.34 0.00 0.64 0.00 0.00 57.07 58.70 1bjj s TYR 120 Cb -0.26 -3.73 -0.16 0.00 0.42 0.00 0.00 41.96 38.22 1bjj s TYR 120 CO 0.67 -0.87 1.26 0.54 0.64 0.00 0.00 175.55 177.79 1bjj n ARG 121 N 6.89 1.24 0.17 4.97 1.74 -1.26 -4.73 116.66 125.68 1bjj n ARG 121 Ca 0.08 0.44 0.13 0.00 -0.77 0.00 0.00 57.85 57.73 1bjj n ARG 121 Cb 0.48 -2.02 0.58 0.00 -1.02 0.00 0.00 32.46 30.48 1bjj n ARG 121 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 1bjj h ASP 122 N 3.99 0.00 0.52 0.55 1.82 -1.93 -1.67 116.42 119.69 1bjj h ASP 122 Ca -0.45 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.08 1bjj h ASP 122 Cb 1.33 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.33 1bjj h ASP 122 CO 0.74 0.00 -0.52 0.77 -1.61 0.00 0.00 179.24 178.63 1bjj h SER 124 N 0.00 0.00 -0.11 2.28 4.64 -1.99 -2.53 113.55 115.84 1bjj h SER 124 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bjj h SER 124 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1bjj h SER 124 CO 0.00 0.52 0.00 0.29 -0.87 0.00 0.00 176.83 176.77 1bjj n LYS 125 N -3.93 1.34 -1.99 4.77 5.02 -0.63 -3.86 118.16 118.87 1bjj n LYS 125 Ca -0.01 -0.51 -0.35 0.00 -2.02 0.00 0.00 58.31 55.41 1bjj n LYS 125 Cb 0.53 -1.23 0.03 0.00 -0.02 0.00 0.00 35.03 34.34 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 -5.14 4.66 -0.15 0.00 2.01 -1.25 -4.00 115.64 111.77 1bjj s THR 127 Ca 0.52 -0.66 -0.34 0.00 0.31 0.00 0.00 61.69 61.52 1bjj s THR 127 Cb 0.44 -4.52 0.14 0.00 0.01 0.00 0.00 72.50 68.56 1bjj s THR 127 CO -0.29 -1.17 1.24 -1.83 -0.69 0.00 0.00 174.62 171.87 1bjj s GLU 128 N 3.15 0.31 0.01 4.92 -1.05 -1.26 -5.04 118.70 119.75 1bjj s GLU 128 Ca 0.16 -0.13 -0.30 0.00 -0.15 0.00 0.00 54.97 54.55 1bjj s GLU 128 Cb -0.21 0.13 -0.09 0.00 -0.44 0.00 0.00 34.13 33.53 1bjj s GLU 128 CO 0.09 -0.14 2.00 0.99 0.95 0.00 0.00 175.26 179.15 1bjj s THR 129 N -2.40 3.01 0.37 1.83 2.01 -1.26 -4.00 115.64 115.19 1bjj s THR 129 Ca 0.11 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 61.83 1bjj s THR 129 Cb 0.00 -3.01 -0.11 0.00 0.01 0.00 0.00 72.50 69.39 1bjj s THR 129 CO -0.04 -0.00 1.46 -1.20 -0.69 0.00 0.00 174.62 174.15 1bjj n SER 130 N 8.02 3.64 -4.69 3.53 7.64 -1.26 -4.44 113.62 126.06 1bjj n SER 130 Ca 0.21 1.22 -0.30 0.00 1.01 0.00 0.00 58.87 61.01 1bjj n SER 130 Cb 0.41 -1.60 0.15 0.00 -1.01 0.00 0.00 64.21 62.17 1bjj n SER 130 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1bjj s GLU 131 N -1.97 1.01 0.01 1.43 2.12 -0.87 -4.87 118.70 115.56 1bjj s GLU 131 Ca 0.54 0.94 -0.01 0.00 0.36 0.00 0.00 54.97 56.79 1bjj s GLU 131 Cb -0.49 -1.77 -0.04 0.00 0.26 0.00 0.00 34.13 32.09 1bjj s GLU 131 CO 0.63 -2.44 0.16 -1.21 -0.54 0.00 0.00 175.26 171.85 1bjj s GLU 132 N -4.84 3.32 0.00 4.30 0.41 -1.26 -5.01 118.70 115.63 1bjj s GLU 132 Ca 0.64 -0.40 0.26 0.00 -0.41 0.00 0.00 54.97 55.06 1bjj s GLU 132 Cb -0.19 -3.01 1.55 0.00 -1.78 0.00 0.00 34.13 30.69 1bjj s GLU 132 CO 0.58 0.65 1.90 0.00 -0.49 0.00 0.00 175.26 177.90