#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bcf s LYS 2 N 0.00 4.28 -0.43 2.12 -2.85 -1.26 -3.80 119.74 117.81 1bcf s LYS 2 Ca 0.00 2.28 0.06 0.00 -1.00 0.00 0.00 55.97 57.31 1bcf s LYS 2 Cb 0.00 -3.11 0.18 0.00 -2.06 0.00 0.00 37.83 32.83 1bcf s LYS 2 CO 0.00 -0.39 0.58 0.20 0.10 0.00 0.00 175.35 175.84 1bcf s GLY 3 N 0.30 -0.80 0.00 0.59 0.00 -0.53 -4.99 107.32 101.89 1bcf s GLY 3 Ca 0.58 -0.42 -0.01 0.00 0.00 0.00 0.00 44.72 44.88 1bcf s GLY 3 CO 0.44 3.34 0.01 1.34 0.00 0.00 0.00 173.10 178.23 1bcf n ASP 4 N 3.88 -6.10 -0.04 1.64 2.03 -1.26 -4.66 116.55 112.03 1bcf n ASP 4 Ca 0.14 1.09 -0.08 0.00 0.52 0.00 0.00 54.79 56.46 1bcf n ASP 4 Cb 0.53 -3.52 -0.02 0.00 -0.72 0.00 0.00 41.12 37.39 1bcf n ASP 4 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1bcf h THR 5 N 2.53 0.83 -0.95 5.18 2.02 -1.98 -2.06 112.91 118.49 1bcf h THR 5 Ca -0.03 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 67.22 1bcf h THR 5 Cb 0.06 0.78 -0.07 0.00 -1.74 0.00 0.00 68.15 67.18 1bcf h THR 5 CO 0.00 0.01 0.60 0.50 0.37 0.00 0.00 175.52 177.00 1bcf h LYS 6 N 0.05 1.01 -0.40 6.66 3.11 -1.99 0.54 116.57 125.55 1bcf h LYS 6 Ca 0.10 -0.06 -0.04 0.00 -2.81 0.00 0.00 60.65 57.84 1bcf h LYS 6 Cb 0.13 -0.23 -0.02 0.00 -1.00 0.00 0.00 32.23 31.12 1bcf h LYS 6 CO -0.18 0.67 0.08 0.28 -2.81 0.00 0.00 179.45 177.49 1bcf h VAL 7 N 1.04 1.24 0.00 2.00 2.07 -1.72 -1.57 116.25 119.31 1bcf h VAL 7 Ca 0.43 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1bcf h VAL 7 Cb 0.28 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1bcf h VAL 7 CO -0.21 0.29 -0.13 0.40 0.02 0.00 0.00 177.57 177.94 1bcf h ILE 8 N 0.52 0.51 0.02 4.57 2.04 -0.55 -0.59 117.51 124.02 1bcf h ILE 8 Ca 0.12 -0.65 -0.17 0.00 1.00 0.00 0.00 64.86 65.16 1bcf h ILE 8 Cb 0.34 1.44 0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1bcf h ILE 8 CO 0.00 0.13 -0.68 0.78 0.00 0.00 0.00 178.15 178.38 1bcf h ASN 9 N 0.00 0.57 -0.55 1.72 4.21 -0.49 -2.26 115.58 118.79 1bcf h ASN 9 Ca -0.00 -0.78 -0.00 0.00 1.21 0.00 0.00 56.30 56.73 1bcf h ASN 9 Cb 0.43 -0.18 -0.03 0.00 -1.12 0.00 0.00 38.32 37.42 1bcf h ASN 9 CO 0.02 1.28 0.33 1.88 -1.29 0.00 0.00 177.43 179.65 1bcf h TYR 10 N -0.07 0.72 -0.70 1.19 0.05 -0.82 -1.59 116.97 115.75 1bcf h TYR 10 Ca -0.09 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.72 1bcf h TYR 10 Cb 1.40 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.86 1bcf h TYR 10 CO 0.15 0.49 0.44 -0.07 -1.05 0.00 0.00 178.16 178.11 1bcf h LEU 11 N 0.73 0.72 -0.84 3.88 4.07 -1.14 0.36 115.31 123.09 1bcf h LEU 11 Ca 0.20 -0.00 -0.12 0.00 0.08 0.00 0.00 57.88 58.04 1bcf h LEU 11 Cb -0.02 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 1bcf h LEU 11 CO -0.04 0.50 -0.39 0.78 -1.08 0.00 0.00 178.44 178.21 1bcf h ASN 12 N 0.86 0.40 -0.27 -0.43 2.35 -1.19 -0.32 115.58 116.97 1bcf h ASN 12 Ca 0.28 -0.17 -0.17 0.00 -0.55 0.00 0.00 56.30 55.69 1bcf h ASN 12 Cb 0.02 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1bcf h ASN 12 CO -0.11 0.76 -0.48 0.50 -1.65 0.00 0.00 177.43 176.45 1bcf h LYS 13 N 0.32 0.81 -0.65 0.81 3.64 -0.62 -2.05 116.57 118.82 1bcf h LYS 13 Ca 0.03 -0.51 -0.05 0.00 -1.27 0.00 0.00 60.65 58.85 1bcf h LYS 13 Cb 0.83 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.68 1bcf h LYS 13 CO 0.07 1.14 0.20 -0.07 -2.27 0.00 0.00 179.45 178.51 1bcf h LEU 14 N 0.58 0.96 -0.82 5.20 4.07 -0.81 -1.89 115.31 122.60 1bcf h LEU 14 Ca 0.02 -0.21 -0.00 0.00 0.08 0.00 0.00 57.88 57.76 1bcf h LEU 14 Cb 1.09 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.54 1bcf h LEU 14 CO 0.11 0.92 0.50 0.25 -1.08 0.00 0.00 178.44 179.13 1bcf h LEU 15 N 0.95 0.98 -0.75 1.67 5.85 -0.95 -1.62 115.31 121.43 1bcf h LEU 15 Ca 0.21 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1bcf h LEU 15 Cb 0.31 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1bcf h LEU 15 CO -0.01 0.75 0.45 1.23 -0.34 0.00 0.00 178.44 180.53 1bcf h GLY 16 N 1.12 1.09 0.76 3.75 0.00 -1.09 -0.58 103.07 108.12 1bcf h GLY 16 Ca 0.29 -0.45 0.05 0.00 0.00 0.00 0.00 47.33 47.22 1bcf h GLY 16 CO -0.06 0.44 0.52 3.43 0.00 0.00 0.00 176.54 180.87 1bcf h ASN 17 N 1.03 0.82 -0.28 0.19 -0.26 -0.60 -2.06 115.58 114.42 1bcf h ASN 17 Ca 0.27 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 56.00 1bcf h ASN 17 Cb -0.04 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 1bcf h ASN 17 CO -0.05 0.54 0.11 -0.33 -1.06 0.00 0.00 177.43 176.63 1bcf h GLU 18 N 0.96 0.42 -0.92 0.81 4.39 -0.37 -2.84 114.58 117.04 1bcf h GLU 18 Ca 0.36 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 60.05 1bcf h GLU 18 Cb 0.13 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.65 1bcf h GLU 18 CO -0.16 0.45 0.57 -0.07 -1.16 0.00 0.00 179.01 178.65 1bcf h LEU 19 N 0.30 0.89 -0.62 1.33 3.38 -0.46 -0.28 115.31 119.84 1bcf h LEU 19 Ca 0.09 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1bcf h LEU 19 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1bcf h LEU 19 CO -0.01 0.55 -0.37 1.62 0.09 0.00 0.00 178.44 180.32 1bcf h VAL 20 N 1.01 1.29 -0.53 1.22 3.04 -1.39 -3.02 116.25 117.87 1bcf h VAL 20 Ca 0.41 -1.53 -0.08 0.00 -1.01 0.00 0.00 66.70 64.48 1bcf h VAL 20 Cb 0.24 1.47 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 1bcf h VAL 20 CO -0.20 0.49 -0.01 0.00 -1.01 0.00 0.00 177.57 176.85 1bcf h ALA 21 N 1.03 0.98 -0.57 3.17 0.00 -1.04 -0.88 119.26 121.96 1bcf h ALA 21 Ca 0.05 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1bcf h ALA 21 Cb 0.89 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1bcf h ALA 21 CO 0.08 0.62 0.12 -0.84 0.00 0.00 0.00 179.25 179.23 1bcf h ILE 22 N 0.84 1.25 -0.37 0.00 -2.65 -1.03 -1.81 117.51 113.75 1bcf h ILE 22 Ca 0.16 -0.93 -0.05 0.00 1.03 0.00 0.00 64.86 65.07 1bcf h ILE 22 Cb 0.51 0.76 -0.01 0.00 -2.05 0.00 0.00 36.82 36.02 1bcf h ILE 22 CO 0.03 0.34 0.05 0.78 0.03 0.00 0.00 178.15 179.38 1bcf h ASN 23 N 0.82 0.60 -0.40 2.16 4.21 -1.34 -1.13 115.58 120.50 1bcf h ASN 23 Ca 0.18 -0.27 -0.15 0.00 1.21 0.00 0.00 56.30 57.27 1bcf h ASN 23 Cb 0.38 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.41 1bcf h ASN 23 CO 0.01 0.72 -0.32 -0.61 -1.29 0.00 0.00 177.43 175.93 1bcf h GLN 24 N 0.46 0.92 -0.20 0.81 4.15 -1.13 -2.36 115.11 117.75 1bcf h GLN 24 Ca 0.11 -0.46 -0.11 0.00 0.77 0.00 0.00 58.65 58.96 1bcf h GLN 24 Cb 0.38 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1bcf h GLN 24 CO 0.01 1.11 -0.36 1.88 -1.93 0.00 0.00 178.83 179.54 1bcf h TYR 25 N 0.74 0.51 -0.12 3.99 0.05 -1.27 -1.53 116.97 119.35 1bcf h TYR 25 Ca 0.07 -0.13 -0.22 0.00 0.05 0.00 0.00 58.73 58.51 1bcf h TYR 25 Cb 0.90 -0.12 0.01 0.00 1.01 0.00 0.00 36.73 38.53 1bcf h TYR 25 CO 0.06 0.74 -0.79 0.35 -1.05 0.00 0.00 178.16 177.48 1bcf h PHE 26 N 0.37 0.91 -0.25 4.88 3.04 -1.17 -1.32 116.94 123.41 1bcf h PHE 26 Ca 0.04 -0.41 -0.10 0.00 3.98 0.00 0.00 57.97 61.48 1bcf h PHE 26 Cb 0.81 -0.14 -0.00 0.00 2.56 0.00 0.00 35.95 39.18 1bcf h PHE 26 CO 0.03 1.22 -0.24 1.25 -2.02 0.00 0.00 178.31 178.55 1bcf h LEU 27 N 0.45 0.63 -0.37 0.59 5.85 -1.33 -2.46 115.31 118.67 1bcf h LEU 27 Ca -0.05 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.23 1bcf h LEU 27 Cb 1.40 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 1bcf h LEU 27 CO 0.15 0.97 0.17 0.45 -0.34 0.00 0.00 178.44 179.85 1bcf h HIS 28 N 0.30 0.32 -0.25 1.25 3.86 -1.32 0.34 115.15 119.65 1bcf h HIS 28 Ca 0.04 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.33 1bcf h HIS 28 Cb 0.79 -0.09 -0.07 0.00 1.06 0.00 0.00 27.41 29.10 1bcf h HIS 28 CO 0.08 0.16 -0.27 0.00 0.86 0.00 0.00 177.93 178.76 1bcf h ALA 29 N 1.20 -0.18 0.00 2.45 0.00 -1.14 -0.92 119.26 120.67 1bcf h ALA 29 Ca 0.16 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 1bcf h ALA 29 Cb 0.08 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1bcf h ALA 29 CO -0.12 -0.70 -0.24 0.00 0.00 0.00 0.00 179.25 178.20 1bcf h ARG 30 N -0.27 0.00 -0.16 0.00 2.47 -1.11 0.30 114.38 115.61 1bcf h ARG 30 Ca 0.14 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.77 1bcf h ARG 30 Cb 0.49 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1bcf h ARG 30 CO -0.40 0.24 -0.22 0.52 0.56 0.00 0.00 179.97 180.66 1bcf h MET 31 N 0.00 0.44 0.20 0.04 2.86 -0.16 -2.00 114.93 116.30 1bcf h MET 31 Ca -0.00 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 1bcf h MET 31 Cb 0.64 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1bcf h MET 31 CO 0.03 0.84 -0.09 0.74 1.06 0.00 0.00 176.91 179.48 1bcf h PHE 32 N 0.07 -0.24 -0.41 -0.22 0.04 -0.92 -1.82 116.94 113.44 1bcf h PHE 32 Ca 0.02 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.87 1bcf h PHE 32 Cb 0.79 0.08 -0.09 0.00 2.20 0.00 0.00 35.95 38.93 1bcf h PHE 32 CO 0.09 -0.06 -0.22 -0.22 -0.60 0.00 0.00 178.31 177.30 1bcf h LYS 33 N -0.37 -0.14 -1.00 1.51 3.64 -1.00 -1.19 116.57 118.02 1bcf h LYS 33 Ca -0.03 0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.56 1bcf h LYS 33 Cb 0.29 0.03 -0.11 0.00 -0.41 0.00 0.00 32.23 32.03 1bcf h LYS 33 CO 0.04 -0.09 0.60 -0.97 -2.27 0.00 0.00 179.45 176.76 1bcf h ASN 34 N -0.14 0.75 0.80 4.20 -1.24 -1.15 0.38 115.58 119.18 1bcf h ASN 34 Ca 0.20 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.31 1bcf h ASN 34 Cb 0.45 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1bcf h ASN 34 CO -0.49 0.24 0.00 0.79 -1.29 0.00 0.00 177.43 176.68 1bcf n TRP 35 N -4.80 0.00 -0.20 0.67 8.01 -0.54 -4.90 117.44 115.68 1bcf n TRP 35 Ca 0.24 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.43 1bcf n TRP 35 Cb 0.60 -0.45 0.00 0.00 -2.01 0.00 0.00 31.31 29.44 1bcf n TRP 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1bcf n GLY 36 N 1.11 0.82 3.43 6.99 0.00 0.13 -5.01 105.19 112.66 1bcf n GLY 36 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.66 1bcf n GLY 36 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bcf n LEU 37 N 0.00 5.30 -0.28 0.99 4.32 -0.70 -4.37 117.00 122.26 1bcf n LEU 37 Ca 0.00 -4.40 -0.00 0.00 -0.02 0.00 0.00 56.01 51.59 1bcf n LEU 37 Cb 0.00 -1.63 0.12 0.00 -1.62 0.00 0.00 43.42 40.30 1bcf n LEU 37 CO 0.00 0.70 1.15 0.11 -1.22 0.00 0.00 177.39 178.13 1bcf h LYS 38 N 7.08 0.82 -0.60 3.23 1.57 -1.54 -2.32 116.57 124.81 1bcf h LYS 38 Ca 0.34 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 59.05 1bcf h LYS 38 Cb 0.85 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 1bcf h LYS 38 CO 1.31 0.55 0.29 -0.09 -0.57 0.00 0.00 179.45 180.94 1bcf h ARG 39 N 0.85 0.86 -0.19 3.15 2.43 -1.23 -0.97 114.38 119.28 1bcf h ARG 39 Ca 0.34 -0.12 -0.15 0.00 -0.81 0.00 0.00 59.98 59.24 1bcf h ARG 39 Cb 0.18 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1bcf h ARG 39 CO -0.18 0.69 -0.50 -0.07 -1.51 0.00 0.00 179.97 178.39 1bcf h LEU 40 N 0.81 0.58 -0.16 3.80 4.07 -1.74 -2.30 115.31 120.38 1bcf h LEU 40 Ca 0.21 -0.29 -0.04 0.00 0.08 0.00 0.00 57.88 57.84 1bcf h LEU 40 Cb 0.11 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.68 1bcf h LEU 40 CO -0.03 0.98 -0.04 -1.13 -1.08 0.00 0.00 178.44 177.15 1bcf h ASN 41 N 0.42 0.30 -0.48 -0.43 -1.24 -1.28 -1.87 115.58 111.00 1bcf h ASN 41 Ca 0.02 -0.37 0.05 0.00 0.71 0.00 0.00 56.30 56.71 1bcf h ASN 41 Cb 1.03 -0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.95 1bcf h ASN 41 CO 0.09 0.60 0.22 0.44 -1.29 0.00 0.00 177.43 177.50 1bcf h ASP 42 N 0.00 0.29 0.26 1.15 5.19 -1.10 -0.67 116.42 121.54 1bcf h ASP 42 Ca 0.04 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.47 1bcf h ASP 42 Cb 0.47 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1bcf h ASP 42 CO 0.02 0.21 -0.12 0.58 -3.12 0.00 0.00 179.24 176.80 1bcf h VAL 43 N 0.43 0.71 -0.48 -1.35 2.07 -1.43 -2.96 116.25 113.25 1bcf h VAL 43 Ca 0.22 -0.82 0.10 0.00 0.82 0.00 0.00 66.70 67.01 1bcf h VAL 43 Cb 0.16 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1bcf h VAL 43 CO -0.17 0.15 0.33 -0.33 0.02 0.00 0.00 177.57 177.56 1bcf h GLU 44 N -0.83 0.22 -0.10 1.57 4.39 -1.31 -2.33 114.58 116.19 1bcf h GLU 44 Ca -0.04 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1bcf h GLU 44 Cb 0.51 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.11 1bcf h GLU 44 CO 0.06 0.15 0.01 -0.92 -1.16 0.00 0.00 179.01 177.14 1bcf h TYR 45 N 0.23 0.18 0.00 4.33 3.20 -1.16 -2.76 116.97 121.00 1bcf h TYR 45 Ca 0.22 -0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 1bcf h TYR 45 Cb 0.57 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1bcf h TYR 45 CO -0.00 0.40 -0.35 1.25 -1.64 0.00 0.00 178.16 177.82 1bcf h HIS 46 N -0.09 0.00 -0.21 -3.82 2.76 -1.26 -2.27 115.15 110.27 1bcf h HIS 46 Ca 0.03 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 58.08 1bcf h HIS 46 Cb 0.32 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1bcf h HIS 46 CO 0.03 0.35 -0.36 0.93 -1.30 0.00 0.00 177.93 177.57 1bcf h GLU 47 N 0.00 0.44 -0.77 5.26 5.08 -1.43 -0.57 114.58 122.60 1bcf h GLU 47 Ca -0.00 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1bcf h GLU 47 Cb 0.63 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1bcf h GLU 47 CO 0.05 0.75 0.28 1.03 -1.00 0.00 0.00 179.01 180.11 1bcf h SER 48 N 0.38 1.08 -0.10 1.42 0.87 -1.12 -0.34 113.55 115.73 1bcf h SER 48 Ca 0.04 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.31 1bcf h SER 48 Cb 0.81 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 1bcf h SER 48 CO 0.07 0.98 -0.24 0.40 -0.53 0.00 0.00 176.83 177.50 1bcf h ILE 49 N 1.12 1.27 -0.04 2.23 1.08 -0.98 -0.98 117.51 121.20 1bcf h ILE 49 Ca 0.25 -1.28 -0.00 0.00 -0.39 0.00 0.00 64.86 63.44 1bcf h ILE 49 Cb 0.25 1.32 -0.00 0.00 -3.07 0.00 0.00 36.82 35.32 1bcf h ILE 49 CO -0.02 0.41 0.01 0.44 -0.69 0.00 0.00 178.15 178.31 1bcf h ASP 50 N 0.47 0.06 -0.98 1.72 3.32 -0.50 -1.89 116.42 118.62 1bcf h ASP 50 Ca 0.07 -0.22 0.07 0.00 0.02 0.00 0.00 57.03 56.97 1bcf h ASP 50 Cb 0.68 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 40.14 1bcf h ASP 50 CO 0.05 0.26 0.63 -0.33 -1.72 0.00 0.00 179.24 178.13 1bcf h GLU 51 N -0.14 1.11 -0.92 3.56 4.39 -0.89 0.58 114.58 122.26 1bcf h GLU 51 Ca 0.01 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.68 1bcf h GLU 51 Cb 0.22 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 28.57 1bcf h GLU 51 CO -0.00 0.73 0.60 0.52 -1.16 0.00 0.00 179.01 179.71 1bcf h MET 52 N 1.14 1.13 0.04 2.33 2.86 -1.02 -0.29 114.93 121.13 1bcf h MET 52 Ca 0.43 -0.07 -0.23 0.00 -2.06 0.00 0.00 59.70 57.77 1bcf h MET 52 Cb 0.18 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1bcf h MET 52 CO -0.18 0.75 -1.03 0.87 1.06 0.00 0.00 176.91 178.38 1bcf h LYS 53 N 1.16 0.16 -0.19 1.72 1.57 -0.44 -2.82 116.57 117.74 1bcf h LYS 53 Ca 0.36 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1bcf h LYS 53 Cb -0.01 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1bcf h LYS 53 CO -0.10 1.05 0.12 0.45 -0.57 0.00 0.00 179.45 180.40 1bcf h HIS 54 N 0.06 0.23 -0.35 -1.35 3.86 -0.28 -2.66 115.15 114.67 1bcf h HIS 54 Ca -0.06 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.20 1bcf h HIS 54 Cb 1.73 -0.08 -0.05 0.00 1.06 0.00 0.00 27.41 30.08 1bcf h HIS 54 CO 0.03 0.15 0.07 0.00 0.86 0.00 0.00 177.93 179.04 1bcf h ALA 55 N 1.07 0.37 -0.60 2.45 0.00 -1.08 -1.65 119.26 119.81 1bcf h ALA 55 Ca 0.07 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1bcf h ALA 55 Cb -0.03 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1bcf h ALA 55 CO -0.02 -0.33 0.40 0.22 0.00 0.00 0.00 179.25 179.52 1bcf h ASP 56 N 0.19 0.58 -0.28 0.00 3.58 -1.39 -1.16 116.42 117.93 1bcf h ASP 56 Ca 0.16 -0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.62 1bcf h ASP 56 Cb 0.18 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1bcf h ASP 56 CO -0.21 0.39 0.17 0.03 -2.88 0.00 0.00 179.24 176.74 1bcf h ARG 57 N 0.67 0.34 -0.17 0.28 3.08 -0.95 -2.07 114.38 115.56 1bcf h ARG 57 Ca 0.25 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1bcf h ARG 57 Cb 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 1bcf h ARG 57 CO -0.07 0.23 0.05 1.88 -1.07 0.00 0.00 179.97 180.99 1bcf h TYR 58 N 0.35 0.28 -0.84 3.04 0.05 -1.03 -1.85 116.97 116.98 1bcf h TYR 58 Ca 0.10 -0.03 0.11 0.00 0.05 0.00 0.00 58.73 58.96 1bcf h TYR 58 Cb -0.02 -0.08 -0.08 0.00 1.01 0.00 0.00 36.73 37.56 1bcf h TYR 58 CO -0.07 0.39 0.47 0.82 -1.05 0.00 0.00 178.16 178.72 1bcf h ILE 59 N 0.09 0.86 -0.11 -2.88 2.04 -1.13 0.77 117.51 117.15 1bcf h ILE 59 Ca 0.05 -0.26 -0.21 0.00 1.00 0.00 0.00 64.86 65.45 1bcf h ILE 59 Cb 0.24 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1bcf h ILE 59 CO -0.00 0.14 -0.78 -0.33 0.00 0.00 0.00 178.15 177.18 1bcf h GLU 60 N 0.75 0.60 -0.27 2.37 5.08 -1.26 -2.34 114.58 119.51 1bcf h GLU 60 Ca 0.42 -0.50 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1bcf h GLU 60 Cb 0.45 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1bcf h GLU 60 CO -0.28 1.12 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.76 1bcf h ARG 61 N 0.40 0.47 -0.69 2.33 9.65 -0.73 -1.76 114.38 124.05 1bcf h ARG 61 Ca -0.05 -0.15 0.02 0.00 -1.10 0.00 0.00 59.98 58.70 1bcf h ARG 61 Cb 1.38 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.88 1bcf h ARG 61 CO 0.15 0.64 0.45 0.82 2.80 0.00 0.00 179.97 184.82 1bcf h ILE 62 N 0.25 1.13 -0.51 1.20 2.04 -0.90 -1.69 117.51 119.04 1bcf h ILE 62 Ca 0.08 -0.31 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 1bcf h ILE 62 Cb 0.42 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1bcf h ILE 62 CO 0.01 0.16 -0.01 -0.07 0.00 0.00 0.00 178.15 178.25 1bcf h LEU 63 N 0.89 0.84 -0.01 1.44 4.07 -1.28 0.11 115.31 121.37 1bcf h LEU 63 Ca 0.27 -0.22 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 1bcf h LEU 63 Cb -0.04 -0.22 -0.00 0.00 1.08 0.00 0.00 40.66 41.47 1bcf h LEU 63 CO -0.08 0.91 0.00 0.15 -1.08 0.00 0.00 178.44 178.34 1bcf h PHE 64 N 0.81 0.01 0.00 1.13 3.57 -0.91 -2.68 116.94 118.87 1bcf h PHE 64 Ca 0.15 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1bcf h PHE 64 Cb 0.49 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1bcf h PHE 64 CO 0.03 0.24 0.00 1.28 -2.23 0.00 0.00 178.31 177.63 1bcf n LEU 65 N -4.97 0.00 -1.75 0.59 4.32 -0.67 -0.75 117.00 113.77 1bcf n LEU 65 Ca -0.08 0.22 -0.08 0.00 -0.02 0.00 0.00 56.01 56.05 1bcf n LEU 65 Cb 0.14 -0.22 0.03 0.00 -1.62 0.00 0.00 43.42 41.75 1bcf n LEU 65 CO 0.33 -0.15 0.07 -0.62 -1.22 0.00 0.00 177.39 175.81 1bcf n GLU 66 N -1.22 -2.81 -4.27 3.23 1.02 -0.92 -1.46 120.64 114.21 1bcf n GLU 66 Ca 0.05 0.31 -0.29 0.00 -0.02 0.00 0.00 57.16 57.22 1bcf n GLU 66 Cb 0.07 -3.77 -0.05 0.00 -0.02 0.00 0.00 31.44 27.68 1bcf n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bcf n GLY 67 N -1.06 3.42 3.12 0.62 0.00 0.33 -4.94 105.19 106.68 1bcf n GLY 67 Ca -0.04 -2.34 -0.33 0.00 0.00 0.00 0.00 46.02 43.31 1bcf n GLY 67 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1bcf s LEU 68 N 0.00 2.32 0.45 0.99 0.20 -1.26 -4.27 118.68 117.11 1bcf s LEU 68 Ca 0.07 -0.75 -0.25 0.00 0.69 0.00 0.00 54.13 53.89 1bcf s LEU 68 Cb -0.01 -1.49 -0.09 0.00 -0.43 0.00 0.00 46.19 44.17 1bcf s LEU 68 CO 0.04 -0.03 1.41 -2.65 -0.29 0.00 0.00 176.35 174.84 1bcf n PRO 69 N 4.60 2.22 -3.53 0.98 -0.02 -1.26 -4.96 135.00 133.02 1bcf n PRO 69 Ca -0.20 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 1bcf n PRO 69 Cb 0.49 -2.60 -0.09 0.00 -0.02 0.00 0.00 33.50 31.28 1bcf n PRO 69 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1bcf s ASN 70 N -0.47 5.78 -0.17 2.55 3.84 -1.26 -4.90 114.94 120.30 1bcf s ASN 70 Ca 0.61 -1.62 0.16 0.00 0.21 0.00 0.00 52.86 52.23 1bcf s ASN 70 Cb -0.46 -2.04 0.51 0.00 -0.55 0.00 0.00 41.25 38.71 1bcf s ASN 70 CO 0.58 -0.63 1.40 0.18 -2.79 0.00 0.00 177.10 175.84 1bcf n LEU 71 N 4.99 3.76 -0.07 3.21 4.77 -1.26 -4.61 117.00 127.78 1bcf n LEU 71 Ca -0.10 -2.97 -0.14 0.00 -0.03 0.00 0.00 56.01 52.77 1bcf n LEU 71 Cb 0.42 -0.52 -0.14 0.00 -2.33 0.00 0.00 43.42 40.85 1bcf n LEU 71 CO 0.43 0.68 -1.01 1.67 -1.33 0.00 0.00 177.39 177.83 1bcf n GLN 72 N -0.50 0.68 -3.23 3.23 -0.06 -1.26 -4.88 117.38 111.35 1bcf n GLN 72 Ca 0.21 0.16 -0.39 0.00 -2.00 0.00 0.00 57.00 54.97 1bcf n GLN 72 Cb 0.86 -1.62 -0.07 0.00 -4.06 0.00 0.00 30.24 25.35 1bcf n GLN 72 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1bcf s ASP 73 N -6.24 6.53 -0.01 1.69 1.01 -1.26 -5.06 116.67 113.33 1bcf s ASP 73 Ca -0.19 0.64 0.02 0.00 0.71 0.00 0.00 52.55 53.73 1bcf s ASP 73 Cb 0.07 -2.29 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 1bcf s ASP 73 CO 0.75 -0.22 -0.03 -0.22 0.21 0.00 0.00 175.17 175.66 1bcf s LEU 74 N 1.89 3.37 0.00 1.23 1.98 -1.26 -4.93 118.68 120.96 1bcf s LEU 74 Ca 0.23 -0.04 -0.03 0.00 -2.89 0.00 0.00 54.13 51.40 1bcf s LEU 74 Cb -0.15 -1.90 0.11 0.00 0.66 0.00 0.00 46.19 44.90 1bcf s LEU 74 CO 0.09 0.30 0.71 0.61 -1.89 0.00 0.00 176.35 176.18 1bcf n GLY 75 N 1.59 0.11 3.69 7.98 0.00 -1.26 -5.03 105.19 112.27 1bcf n GLY 75 Ca -0.15 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 1bcf n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bcf s LYS 76 N -4.37 4.43 -0.20 1.61 1.02 -1.26 -4.99 119.74 115.98 1bcf s LYS 76 Ca 0.45 1.49 -0.15 0.00 0.02 0.00 0.00 55.97 57.79 1bcf s LYS 76 Cb -0.02 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.73 1bcf s LYS 76 CO 0.30 -0.30 0.34 -0.51 -0.92 0.00 0.00 175.35 174.27 1bcf s LEU 77 N 1.82 4.17 -0.53 3.17 1.43 -1.26 -5.02 118.68 122.46 1bcf s LEU 77 Ca 0.52 0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 53.98 1bcf s LEU 77 Cb -0.21 -2.42 0.13 0.00 0.03 0.00 0.00 46.19 43.72 1bcf s LEU 77 CO 0.21 -0.02 0.39 0.21 0.23 0.00 0.00 176.35 177.38 1bcf s ASN 78 N 0.93 5.72 -0.00 2.29 2.47 -1.26 -4.99 114.94 120.10 1bcf s ASN 78 Ca 0.17 -2.13 -0.07 0.00 0.42 0.00 0.00 52.86 51.25 1bcf s ASN 78 Cb -0.14 -2.00 -0.04 0.00 -1.45 0.00 0.00 41.25 37.62 1bcf s ASN 78 CO 0.07 -0.63 0.71 0.40 -3.72 0.00 0.00 177.10 173.92 1bcf h ILE 79 N 5.89 0.00 0.00 -5.21 1.08 -1.97 -3.46 117.51 113.85 1bcf h ILE 79 Ca -0.15 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1bcf h ILE 79 Cb 1.05 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1bcf h ILE 79 CO 0.82 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.89 1bcf n GLY 80 N 0.04 1.43 0.33 5.37 0.00 -1.26 -4.36 105.19 106.73 1bcf n GLY 80 Ca -0.03 -1.58 0.07 0.00 0.00 0.00 0.00 46.02 44.48 1bcf n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bcf n GLU 81 N 1.54 1.77 -4.14 1.61 -0.58 -1.26 -4.77 120.64 114.82 1bcf n GLU 81 Ca 0.00 -0.77 -0.17 0.00 -0.42 0.00 0.00 57.16 55.80 1bcf n GLU 81 Cb 0.00 -1.21 -0.12 0.00 -0.57 0.00 0.00 31.44 29.55 1bcf n GLU 81 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 1bcf s ASP 82 N -1.66 1.41 0.28 1.62 1.47 -1.26 -5.03 116.67 113.50 1bcf s ASP 82 Ca 0.12 -0.59 0.02 0.00 1.18 0.00 0.00 52.55 53.28 1bcf s ASP 82 Cb 0.11 -0.02 0.66 0.00 -0.34 0.00 0.00 42.92 43.32 1bcf s ASP 82 CO 0.33 -0.12 1.73 1.62 0.68 0.00 0.00 175.17 179.42 1bcf h VAL 83 N 4.36 0.60 -0.58 2.11 3.04 -1.98 0.15 116.25 123.96 1bcf h VAL 83 Ca -0.39 -0.18 -0.03 0.00 -1.01 0.00 0.00 66.70 65.08 1bcf h VAL 83 Cb 1.19 0.02 -0.03 0.00 -2.01 0.00 0.00 31.29 30.47 1bcf h VAL 83 CO 0.40 0.10 0.22 -0.08 -1.01 0.00 0.00 177.57 177.20 1bcf h GLU 84 N 0.53 0.84 -0.05 4.17 4.22 -1.99 -0.07 114.58 122.23 1bcf h GLU 84 Ca 0.52 -0.13 -0.06 0.00 0.08 0.00 0.00 59.36 59.77 1bcf h GLU 84 Cb 0.89 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1bcf h GLU 84 CO -0.44 0.70 -0.19 1.49 -2.18 0.00 0.00 179.01 178.38 1bcf h GLU 85 N 0.83 0.22 -0.23 1.92 4.81 -1.44 -2.89 114.58 117.80 1bcf h GLU 85 Ca 0.20 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1bcf h GLU 85 Cb 0.18 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 1bcf h GLU 85 CO -0.02 0.80 0.04 0.52 -0.73 0.00 0.00 179.01 179.62 1bcf h MET 86 N -0.32 0.12 -0.78 1.92 2.86 -0.38 -2.34 114.93 116.01 1bcf h MET 86 Ca -0.01 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1bcf h MET 86 Cb 0.83 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.42 1bcf h MET 86 CO 0.04 0.08 0.49 -0.07 1.06 0.00 0.00 176.91 178.51 1bcf h LEU 87 N 0.12 0.92 -0.96 1.22 4.07 -1.09 -2.11 115.31 117.48 1bcf h LEU 87 Ca 0.10 -0.04 -0.10 0.00 0.08 0.00 0.00 57.88 57.92 1bcf h LEU 87 Cb 0.11 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1bcf h LEU 87 CO -0.15 0.69 -0.38 0.03 -1.08 0.00 0.00 178.44 177.56 1bcf h ARG 88 N 1.07 0.28 -0.06 1.13 3.08 -1.27 -1.51 114.38 117.11 1bcf h ARG 88 Ca 0.28 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1bcf h ARG 88 Cb -0.07 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 1bcf h ARG 88 CO -0.06 0.62 0.01 0.77 -1.07 0.00 0.00 179.97 180.24 1bcf h SER 89 N 0.24 0.11 -0.91 7.04 0.02 -0.96 -1.61 113.55 117.47 1bcf h SER 89 Ca 0.03 -0.28 0.11 0.00 -0.84 0.00 0.00 61.79 60.81 1bcf h SER 89 Cb 0.78 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.21 1bcf h SER 89 CO 0.06 0.36 0.55 0.44 -1.14 0.00 0.00 176.83 177.10 1bcf h ASP 90 N -0.15 0.79 -0.24 3.07 3.32 -1.19 -1.42 116.42 120.60 1bcf h ASP 90 Ca 0.02 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 1bcf h ASP 90 Cb 0.30 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1bcf h ASP 90 CO 0.00 0.43 -0.10 0.25 -1.72 0.00 0.00 179.24 178.10 1bcf h LEU 91 N 0.88 0.50 -0.70 1.55 5.85 -1.09 -2.26 115.31 120.05 1bcf h LEU 91 Ca 0.45 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1bcf h LEU 91 Cb 0.45 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1bcf h LEU 91 CO -0.27 0.78 0.44 0.00 -0.34 0.00 0.00 178.44 179.06 1bcf h ALA 92 N 0.73 0.89 -0.20 1.25 0.00 -0.88 -0.84 119.26 120.21 1bcf h ALA 92 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1bcf h ALA 92 Cb 0.58 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1bcf h ALA 92 CO 0.03 0.34 0.10 1.25 0.00 0.00 0.00 179.25 180.98 1bcf h LEU 93 N 0.95 0.26 -1.05 0.00 5.85 -1.25 -1.34 115.31 118.73 1bcf h LEU 93 Ca 0.25 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1bcf h LEU 93 Cb -0.06 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1bcf h LEU 93 CO -0.05 0.30 0.64 -0.33 -0.34 0.00 0.00 178.44 178.65 1bcf h GLU 94 N 0.21 1.19 -0.37 1.25 4.39 -0.93 -1.81 114.58 118.50 1bcf h GLU 94 Ca 0.07 -0.07 -0.06 0.00 0.34 0.00 0.00 59.36 59.64 1bcf h GLU 94 Cb 0.10 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1bcf h GLU 94 CO -0.01 0.79 0.01 -0.07 -1.16 0.00 0.00 179.01 178.57 1bcf h LEU 95 N 1.22 0.63 -0.40 1.33 4.07 -0.84 -1.38 115.31 119.94 1bcf h LEU 95 Ca 0.39 -0.30 -0.02 0.00 0.08 0.00 0.00 57.88 58.03 1bcf h LEU 95 Cb 0.01 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.56 1bcf h LEU 95 CO -0.12 0.78 0.19 0.44 -1.08 0.00 0.00 178.44 178.65 1bcf h ASP 96 N 0.47 0.53 -0.44 -0.43 3.32 -0.67 -2.65 116.42 116.55 1bcf h ASP 96 Ca 0.11 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1bcf h ASP 96 Cb 0.45 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1bcf h ASP 96 CO 0.02 0.51 0.29 1.23 -1.72 0.00 0.00 179.24 179.57 1bcf h GLY 97 N 0.51 0.62 0.66 2.75 0.00 -1.28 -2.46 103.07 103.87 1bcf h GLY 97 Ca 0.14 -0.23 0.10 0.00 0.00 0.00 0.00 47.33 47.34 1bcf h GLY 97 CO -0.02 0.23 0.60 0.00 0.00 0.00 0.00 176.54 177.35 1bcf h ALA 98 N 1.16 1.58 -0.66 3.60 0.00 -1.09 -0.47 119.26 123.38 1bcf h ALA 98 Ca 0.16 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1bcf h ALA 98 Cb -0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1bcf h ALA 98 CO -0.03 0.22 0.40 -0.22 0.00 0.00 0.00 179.25 179.62 1bcf h LYS 99 N 0.95 0.90 -0.41 0.00 3.64 -1.09 -1.42 116.57 119.13 1bcf h LYS 99 Ca 0.44 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.62 1bcf h LYS 99 Cb 0.40 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1bcf h LYS 99 CO -0.20 0.64 -0.21 -0.91 -2.27 0.00 0.00 179.45 176.50 1bcf h ASN 100 N 0.90 0.83 -0.45 4.20 2.35 -0.86 -2.98 115.58 119.57 1bcf h ASN 100 Ca 0.24 -0.30 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1bcf h ASN 100 Cb -0.03 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 1bcf h ASN 100 CO -0.04 1.02 0.24 -0.07 -1.65 0.00 0.00 177.43 176.93 1bcf h LEU 101 N 0.72 0.37 -0.95 1.61 3.38 -0.37 -1.81 115.31 118.26 1bcf h LEU 101 Ca 0.10 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1bcf h LEU 101 Cb 0.74 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1bcf h LEU 101 CO 0.06 0.27 0.37 0.03 0.09 0.00 0.00 178.44 179.25 1bcf h ARG 102 N 0.49 1.12 -0.24 1.13 3.08 -1.21 -0.09 114.38 118.65 1bcf h ARG 102 Ca 0.19 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1bcf h ARG 102 Cb 0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1bcf h ARG 102 CO -0.11 0.87 0.10 1.49 -1.07 0.00 0.00 179.97 181.25 1bcf h GLU 103 N 1.11 0.35 -0.56 0.04 4.81 -1.35 -2.51 114.58 116.47 1bcf h GLU 103 Ca 0.27 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1bcf h GLU 103 Cb 0.12 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1bcf h GLU 103 CO -0.03 0.38 -0.03 0.00 -0.73 0.00 0.00 179.01 178.60 1bcf h ALA 104 N 0.95 0.88 -0.60 2.92 0.00 -1.08 -2.91 119.26 119.42 1bcf h ALA 104 Ca 0.08 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 1bcf h ALA 104 Cb 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1bcf h ALA 104 CO -0.01 0.65 0.06 0.82 0.00 0.00 0.00 179.25 180.77 1bcf h ILE 105 N 0.90 1.26 -0.42 0.00 2.04 -0.86 -2.27 117.51 118.17 1bcf h ILE 105 Ca 0.16 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.86 1bcf h ILE 105 Cb 0.57 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1bcf h ILE 105 CO 0.03 0.38 -0.22 1.23 0.00 0.00 0.00 178.15 179.57 1bcf h GLY 106 N 1.02 0.91 0.95 5.37 0.00 -1.42 -3.08 103.07 106.82 1bcf h GLY 106 Ca 0.18 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 1bcf h GLY 106 CO 0.02 0.72 -0.24 -1.82 0.00 0.00 0.00 176.54 175.22 1bcf h TYR 107 N 0.73 0.80 -0.76 5.60 3.20 -1.37 -2.83 116.97 122.34 1bcf h TYR 107 Ca 0.10 -0.23 0.08 0.00 3.14 0.00 0.00 58.73 61.82 1bcf h TYR 107 Cb 0.76 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 1bcf h TYR 107 CO 0.04 0.95 0.50 0.00 -1.64 0.00 0.00 178.16 178.01 1bcf h ALA 108 N 0.72 1.73 -0.32 1.82 0.00 -1.41 -1.36 119.26 120.44 1bcf h ALA 108 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1bcf h ALA 108 Cb 0.80 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1bcf h ALA 108 CO 0.06 0.14 0.11 0.22 0.00 0.00 0.00 179.25 179.77 1bcf h ASP 109 N 0.74 0.46 -0.69 0.00 3.58 -1.44 0.23 116.42 119.30 1bcf h ASP 109 Ca 0.34 -0.20 0.09 0.00 0.42 0.00 0.00 57.03 57.68 1bcf h ASP 109 Cb 0.34 -0.12 -0.07 0.00 1.72 0.00 0.00 39.33 41.20 1bcf h ASP 109 CO -0.12 0.54 0.33 0.28 -2.88 0.00 0.00 179.24 177.39 1bcf h SER 110 N 0.36 0.41 0.26 2.28 0.02 -1.04 -0.44 113.55 115.41 1bcf h SER 110 Ca 0.10 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1bcf h SER 110 Cb 0.24 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1bcf h SER 110 CO -0.00 0.23 -0.10 0.55 -1.14 0.00 0.00 176.83 176.37 1bcf n VAL 111 N -4.89 0.00 -1.11 2.27 3.14 -0.67 -4.96 118.33 112.10 1bcf n VAL 111 Ca 0.11 -0.09 -0.04 0.00 -2.96 0.00 0.00 64.34 61.36 1bcf n VAL 111 Cb 0.28 0.01 -0.02 0.00 -1.06 0.00 0.00 33.84 33.05 1bcf n VAL 111 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1bcf n HIS 112 N -0.77 0.00 -2.73 1.45 -0.00 0.39 -4.97 115.22 108.59 1bcf n HIS 112 Ca 0.16 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.44 1bcf n HIS 112 Cb 0.28 -1.10 0.00 0.00 -0.00 0.00 0.00 29.99 29.17 1bcf n HIS 112 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1bcf n ASP 113 N 0.45 5.09 0.19 0.41 -0.08 0.53 -4.78 116.55 118.36 1bcf n ASP 113 Ca -0.04 -2.98 0.05 0.00 -1.51 0.00 0.00 54.79 50.31 1bcf n ASP 113 Cb 0.19 -1.59 0.37 0.00 2.34 0.00 0.00 41.12 42.43 1bcf n ASP 113 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 1bcf h TYR 114 N 6.92 0.00 -0.03 -0.67 0.05 -1.93 -2.04 116.97 119.27 1bcf h TYR 114 Ca 0.37 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.95 1bcf h TYR 114 Cb 0.82 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.55 1bcf h TYR 114 CO 1.20 0.37 -0.83 0.28 -1.05 0.00 0.00 178.16 178.14 1bcf h VAL 115 N 0.00 1.42 -0.29 -2.88 2.07 -1.97 0.13 116.25 114.73 1bcf h VAL 115 Ca -0.00 -2.37 -0.18 0.00 0.82 0.00 0.00 66.70 64.96 1bcf h VAL 115 Cb 0.80 2.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1bcf h VAL 115 CO 0.05 0.70 -0.54 0.28 0.02 0.00 0.00 177.57 178.08 1bcf h SER 116 N 0.20 0.96 0.83 0.57 0.02 -1.94 -2.25 113.55 111.95 1bcf h SER 116 Ca -0.05 -0.51 -0.05 0.00 -0.84 0.00 0.00 61.79 60.34 1bcf h SER 116 Cb 1.43 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 1bcf h SER 116 CO 0.14 1.31 -0.25 0.08 -1.14 0.00 0.00 176.83 176.97 1bcf h ARG 117 N 0.67 0.00 0.06 3.45 -0.00 -1.24 -2.43 114.38 114.89 1bcf h ARG 117 Ca 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.99 1bcf h ARG 117 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.11 1bcf h ARG 117 CO 0.12 0.25 -0.03 0.22 -0.00 0.00 0.00 179.97 180.53 1bcf h ASP 118 N 0.00 -0.07 -0.49 0.08 3.58 -0.52 -2.60 116.42 116.40 1bcf h ASP 118 Ca -0.00 -0.40 0.05 0.00 0.42 0.00 0.00 57.03 57.09 1bcf h ASP 118 Cb 0.73 0.02 -0.05 0.00 1.72 0.00 0.00 39.33 41.75 1bcf h ASP 118 CO 0.03 0.38 0.23 -0.03 -2.88 0.00 0.00 179.24 176.97 1bcf h MET 119 N -0.54 0.43 -0.82 0.28 4.05 -1.32 -2.80 114.93 114.21 1bcf h MET 119 Ca -0.01 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.36 1bcf h MET 119 Cb 0.47 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 1bcf h MET 119 CO 0.01 0.28 0.42 0.52 0.23 0.00 0.00 176.91 178.38 1bcf h MET 120 N 0.44 1.15 0.00 0.39 2.86 -1.47 -1.97 114.93 116.34 1bcf h MET 120 Ca 0.22 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 1bcf h MET 120 Cb 0.16 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 1bcf h MET 120 CO -0.17 0.86 -0.38 0.82 1.06 0.00 0.00 176.91 179.10 1bcf h ILE 121 N 1.15 1.25 -0.11 -1.22 2.04 -1.32 0.91 117.51 120.22 1bcf h ILE 121 Ca 0.29 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.82 1bcf h ILE 121 Cb 0.07 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1bcf h ILE 121 CO -0.04 0.37 -0.03 -0.33 0.00 0.00 0.00 178.15 178.12 1bcf h GLU 122 N 0.00 0.20 -0.45 2.37 5.08 -1.20 -1.63 114.58 118.96 1bcf h GLU 122 Ca -0.00 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1bcf h GLU 122 Cb 0.68 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1bcf h GLU 122 CO 0.05 0.51 0.05 0.82 -1.00 0.00 0.00 179.01 179.44 1bcf h ILE 123 N -0.12 1.22 -0.25 3.13 2.04 -1.10 -2.79 117.51 119.63 1bcf h ILE 123 Ca 0.03 -0.86 -0.14 0.00 1.00 0.00 0.00 64.86 64.89 1bcf h ILE 123 Cb 0.44 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1bcf h ILE 123 CO 0.01 0.31 -0.43 0.25 0.00 0.00 0.00 178.15 178.29 1bcf h LEU 124 N 0.68 0.67 -1.37 1.44 5.85 -0.72 -1.30 115.31 120.55 1bcf h LEU 124 Ca 0.14 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1bcf h LEU 124 Cb 0.35 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1bcf h LEU 124 CO 0.01 1.01 0.03 -0.09 -0.34 0.00 0.00 178.44 179.06 1bcf h ARG 125 N 0.51 0.44 -0.19 1.25 2.43 -1.12 -1.51 114.38 116.20 1bcf h ARG 125 Ca 0.04 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 1bcf h ARG 125 Cb 0.96 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1bcf h ARG 125 CO 0.09 0.45 -0.29 -0.44 -1.51 0.00 0.00 179.97 178.27 1bcf h ASP 126 N 0.43 0.58 -0.35 -3.80 3.32 -1.15 -3.09 116.42 112.36 1bcf h ASP 126 Ca 0.10 -0.52 0.01 0.00 0.02 0.00 0.00 57.03 56.63 1bcf h ASP 126 Cb 0.24 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1bcf h ASP 126 CO 0.00 0.99 0.22 -0.33 -1.72 0.00 0.00 179.24 178.41 1bcf h GLU 127 N 0.18 0.44 0.00 3.56 4.39 -0.93 -1.35 114.58 120.88 1bcf h GLU 127 Ca 0.02 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1bcf h GLU 127 Cb 0.87 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1bcf h GLU 127 CO 0.07 0.29 0.00 0.93 -1.16 0.00 0.00 179.01 179.14 1bcf h GLU 128 N 0.46 0.00 0.13 2.33 5.08 -1.32 0.23 114.58 121.49 1bcf h GLU 128 Ca 0.13 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.18 1bcf h GLU 128 Cb -0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1bcf h GLU 128 CO -0.04 0.00 -1.53 0.78 -1.00 0.00 0.00 179.01 177.22 1bcf h GLY 129 N 0.25 0.32 1.15 -3.84 0.00 -1.18 -2.57 103.07 97.19 1bcf h GLY 129 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 47.33 46.42 1bcf h GLY 129 CO 0.00 0.71 -0.08 0.45 0.00 0.00 0.00 176.54 177.62 1bcf h HIS 130 N 0.08 1.10 -0.75 5.60 3.86 -0.02 -2.78 115.15 122.24 1bcf h HIS 130 Ca -0.24 -0.21 -0.03 0.00 -1.16 0.00 0.00 60.37 58.72 1bcf h HIS 130 Cb 2.03 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 30.18 1bcf h HIS 130 CO 0.07 1.01 0.34 0.82 0.86 0.00 0.00 177.93 181.03 1bcf h ILE 131 N 0.90 1.24 -0.41 2.45 2.04 -0.95 -2.53 117.51 120.25 1bcf h ILE 131 Ca 0.15 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 1bcf h ILE 131 Cb 0.63 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1bcf h ILE 131 CO 0.04 0.30 -0.15 -0.78 0.00 0.00 0.00 178.15 177.56 1bcf h ASP 132 N 1.08 0.84 -0.44 1.72 3.58 -1.30 -2.19 116.42 119.70 1bcf h ASP 132 Ca 0.26 -0.39 -0.04 0.00 0.42 0.00 0.00 57.03 57.28 1bcf h ASP 132 Cb 0.14 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1bcf h ASP 132 CO -0.03 1.04 0.13 -0.25 -2.88 0.00 0.00 179.24 177.25 1bcf h TRP 133 N 0.64 0.72 -0.27 0.28 7.01 -1.39 -1.57 115.95 121.38 1bcf h TRP 133 Ca 0.10 -0.08 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 1bcf h TRP 133 Cb 0.70 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.54 1bcf h TRP 133 CO 0.05 0.66 0.09 -0.07 -2.79 0.00 0.00 178.44 176.39 1bcf h LEU 134 N 0.58 0.39 -0.63 0.65 3.38 -1.47 -1.22 115.31 116.99 1bcf h LEU 134 Ca 0.14 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.96 1bcf h LEU 134 Cb 0.28 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1bcf h LEU 134 CO -0.00 0.47 0.38 -0.33 0.09 0.00 0.00 178.44 179.05 1bcf h GLU 135 N 0.28 0.71 -0.43 1.13 5.08 -1.28 -1.13 114.58 118.93 1bcf h GLU 135 Ca 0.09 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1bcf h GLU 135 Cb 0.22 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1bcf h GLU 135 CO -0.00 0.47 0.16 1.15 -1.00 0.00 0.00 179.01 179.79 1bcf h THR 136 N 0.73 1.21 -0.20 1.13 2.02 -1.16 -2.80 112.91 113.83 1bcf h THR 136 Ca 0.26 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.80 1bcf h THR 136 Cb 0.07 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1bcf h THR 136 CO -0.13 0.24 0.10 -0.33 0.37 0.00 0.00 175.52 175.77 1bcf h GLU 137 N 0.56 0.20 -0.08 6.66 4.39 -0.62 -2.34 114.58 123.35 1bcf h GLU 137 Ca 0.14 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1bcf h GLU 137 Cb 0.21 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1bcf h GLU 137 CO -0.01 0.14 0.05 -0.07 -1.16 0.00 0.00 179.01 177.96 1bcf h LEU 138 N 0.21 0.09 -0.11 1.33 3.38 -1.14 -2.37 115.31 116.70 1bcf h LEU 138 Ca 0.08 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.83 1bcf h LEU 138 Cb 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1bcf h LEU 138 CO -0.06 0.07 -0.99 0.44 0.09 0.00 0.00 178.44 177.98 1bcf h ASP 139 N 0.11 0.19 -0.65 -0.43 3.32 -1.22 -3.10 116.42 114.64 1bcf h ASP 139 Ca 0.03 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.82 1bcf h ASP 139 Cb -0.01 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 1bcf h ASP 139 CO -0.01 1.07 0.11 -0.07 -1.72 0.00 0.00 179.24 178.62 1bcf h LEU 140 N 0.06 1.04 -0.69 1.55 4.07 -0.92 0.51 115.31 120.92 1bcf h LEU 140 Ca -0.05 -0.24 -0.07 0.00 0.08 0.00 0.00 57.88 57.59 1bcf h LEU 140 Cb 1.69 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 43.13 1bcf h LEU 140 CO 0.15 1.03 0.15 0.40 -1.08 0.00 0.00 178.44 179.08 1bcf h ILE 141 N 1.02 1.26 -0.42 1.22 2.04 -1.52 0.11 117.51 121.22 1bcf h ILE 141 Ca 0.20 -1.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 1bcf h ILE 141 Cb 0.43 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1bcf h ILE 141 CO 0.01 0.38 0.05 -0.61 0.00 0.00 0.00 178.15 177.98 1bcf h GLN 142 N 1.05 0.72 0.25 2.37 -0.00 -1.37 -0.55 115.11 117.58 1bcf h GLN 142 Ca 0.21 -0.20 -0.33 0.00 -0.00 0.00 0.00 58.65 58.33 1bcf h GLN 142 Cb 0.40 -0.08 0.04 0.00 0.00 0.00 0.00 27.48 27.84 1bcf h GLN 142 CO 0.01 0.76 -1.44 0.87 0.00 0.00 0.00 178.83 179.03 1bcf h LYS 143 N 0.57 0.53 0.00 1.69 1.57 0.31 -3.36 116.57 117.87 1bcf h LYS 143 Ca 0.13 -0.90 0.00 0.00 -1.87 0.00 0.00 60.65 58.00 1bcf h LYS 143 Cb 0.41 0.34 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1bcf h LYS 143 CO 0.01 1.43 -1.03 0.00 -0.57 0.00 0.00 179.45 179.30 1bcf n MET 144 N -3.75 0.02 0.00 3.15 0.00 0.36 -5.07 117.12 111.83 1bcf n MET 144 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.53 1bcf n MET 144 Cb 1.09 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.81 1bcf n MET 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1bcf n GLY 145 N 1.49 0.69 0.30 3.17 0.00 -0.22 -4.50 105.19 106.13 1bcf n GLY 145 Ca 0.04 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.23 1bcf n GLY 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bcf h LEU 146 N 0.00 0.99 -0.64 0.99 5.85 -1.91 -2.29 115.31 118.29 1bcf h LEU 146 Ca 0.00 -0.31 -0.12 0.00 0.84 0.00 0.00 57.88 58.30 1bcf h LEU 146 Cb 0.00 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1bcf h LEU 146 CO 0.00 1.08 -0.20 1.56 -0.34 0.00 0.00 178.44 180.54 1bcf h GLN 147 N 0.90 0.85 -0.25 1.25 4.20 -1.95 0.29 115.11 120.41 1bcf h GLN 147 Ca 0.15 -0.34 -0.19 0.00 0.06 0.00 0.00 58.65 58.32 1bcf h GLN 147 Cb 0.62 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1bcf h GLN 147 CO 0.04 0.98 -0.61 -0.91 -0.67 0.00 0.00 178.83 177.66 1bcf h ASN 148 N 0.75 0.94 -0.51 1.46 -0.26 -1.79 -1.53 115.58 114.64 1bcf h ASN 148 Ca 0.10 -0.53 -0.02 0.00 -0.56 0.00 0.00 56.30 55.29 1bcf h ASN 148 Cb 0.74 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.70 1bcf h ASN 148 CO 0.06 1.33 0.24 0.22 -1.06 0.00 0.00 177.43 178.22 1bcf h TYR 149 N 0.62 0.73 -0.44 1.19 3.20 -1.23 -1.24 116.97 119.80 1bcf h TYR 149 Ca -0.00 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 1bcf h TYR 149 Cb 1.22 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 1bcf h TYR 149 CO 0.07 0.58 0.10 -0.07 -1.64 0.00 0.00 178.16 177.20 1bcf h LEU 150 N 0.68 0.68 -1.58 2.82 4.07 -0.38 -2.70 115.31 118.89 1bcf h LEU 150 Ca 0.17 -0.24 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 1bcf h LEU 150 Cb 0.12 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 1bcf h LEU 150 CO -0.02 0.74 -0.01 -0.61 -1.08 0.00 0.00 178.44 177.46 1bcf h GLN 151 N 0.59 0.25 0.00 1.13 4.15 -1.11 -2.26 115.11 117.87 1bcf h GLN 151 Ca 0.14 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1bcf h GLN 151 Cb 0.33 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1bcf h GLN 151 CO 0.00 0.29 0.00 0.00 -1.93 0.00 0.00 178.83 177.19 1bcf n ALA 152 N -2.50 2.30 0.30 3.38 0.00 -0.48 -3.37 120.51 120.13 1bcf n ALA 152 Ca -0.00 -0.12 0.04 0.00 0.00 0.00 0.00 53.44 53.36 1bcf n ALA 152 Cb 0.18 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.27 1bcf n ALA 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1bcf n GLN 153 N -0.93 3.17 0.00 0.00 1.13 -0.85 -4.71 117.38 115.19 1bcf n GLN 153 Ca 0.14 -0.02 0.05 0.00 -1.94 0.00 0.00 57.00 55.23 1bcf n GLN 153 Cb 0.06 -0.98 0.26 0.00 0.11 0.00 0.00 30.24 29.70 1bcf n GLN 153 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1bcf n ILE 154 N -1.36 0.60 -3.81 5.09 -5.35 -1.22 -1.01 119.36 112.31 1bcf n ILE 154 Ca 0.01 0.15 -0.14 0.00 -0.27 0.00 0.00 62.75 62.50 1bcf n ILE 154 Cb 0.16 -0.99 -0.15 0.00 -1.74 0.00 0.00 39.64 36.92 1bcf n ILE 154 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1bcf s ARG 155 N -2.45 -0.02 0.42 6.28 0.52 -1.26 -4.44 118.95 117.99 1bcf s ARG 155 Ca 0.11 0.12 -0.23 0.00 -0.52 0.00 0.00 55.73 55.21 1bcf s ARG 155 Cb 0.07 -0.16 -0.09 0.00 0.52 0.00 0.00 34.95 35.29 1bcf s ARG 155 CO 0.15 -0.11 1.06 -1.83 0.02 0.00 0.00 175.30 174.59 1bcf s GLU 156 N 0.68 4.05 0.00 3.54 1.03 -1.26 -4.13 118.70 122.62 1bcf s GLU 156 Ca -0.06 1.50 0.00 0.00 0.03 0.00 0.00 54.97 56.45 1bcf s GLU 156 Cb -0.08 -2.44 0.00 0.00 -0.80 0.00 0.00 34.13 30.81 1bcf s GLU 156 CO -0.02 -0.24 0.00 -1.91 -1.33 0.00 0.00 175.26 171.76 1bcf n GLU 157 N -0.29 0.01 0.00 -4.83 0.00 -1.26 -4.95 120.64 109.31 1bcf n GLU 157 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1bcf n GLU 157 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.94 1bcf n GLU 157 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54