#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbu h TYR 2 N 0.00 1.06 -0.72 -0.32 -0.00 -1.78 -1.22 116.97 113.99 2bbu h TYR 2 Ca 0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.75 2bbu h TYR 2 Cb 0.00 -0.34 -0.03 0.00 -0.00 0.00 0.00 36.73 36.35 2bbu h TYR 2 CO 0.00 0.48 0.42 0.37 -0.00 0.00 0.00 178.16 179.43 2bbu h GLN 3 N 0.98 0.99 -0.15 0.10 5.75 -1.97 0.92 115.11 121.73 2bbu h GLN 3 Ca 0.44 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.81 2bbu h GLN 3 Cb 0.39 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 2bbu h GLN 3 CO -0.20 0.72 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.59 2bbu h LEU 4 N 0.99 0.29 -0.13 -2.39 3.38 -1.64 -2.22 115.31 113.59 2bbu h LEU 4 Ca 0.26 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 2bbu h LEU 4 Cb -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2bbu h LEU 4 CO -0.05 0.58 -0.40 -0.37 0.09 0.00 0.00 178.44 178.29 2bbu h VAL 5 N -0.01 1.37 -0.38 1.22 -1.51 -1.11 -3.10 116.25 112.74 2bbu h VAL 5 Ca 0.04 -1.71 0.05 0.00 -1.23 0.00 0.00 66.70 63.85 2bbu h VAL 5 Cb 0.45 2.11 -0.02 0.00 -2.13 0.00 0.00 31.29 31.70 2bbu h VAL 5 CO 0.01 0.51 0.26 1.62 -1.23 0.00 0.00 177.57 178.74 2bbu h VAL 6 N 0.10 0.98 -0.46 7.19 3.04 0.83 0.21 116.25 128.14 2bbu h VAL 6 Ca -0.02 -0.11 -0.12 0.00 -1.01 0.00 0.00 66.70 65.45 2bbu h VAL 6 Cb 1.03 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 2bbu h VAL 6 CO 0.09 0.06 -0.17 -1.13 -1.01 0.00 0.00 177.57 175.40 2bbu h ASN 7 N 0.32 0.94 0.01 3.17 -0.73 -1.35 -1.67 115.58 116.28 2bbu h ASN 7 Ca 0.16 -0.39 -0.14 0.00 1.87 0.00 0.00 56.30 57.81 2bbu h ASN 7 Cb 0.24 -0.26 0.01 0.00 0.27 0.00 0.00 38.32 38.59 2bbu h ASN 7 CO -0.04 1.12 -0.55 0.00 -0.37 0.00 0.00 177.43 177.59 2bbu h ALA 8 N 0.86 0.05 -0.98 1.57 0.00 -1.21 -3.21 119.26 116.33 2bbu h ALA 8 Ca 0.11 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.51 2bbu h ALA 8 Cb 0.74 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 2bbu h ALA 8 CO 0.06 0.30 0.64 -0.39 0.00 0.00 0.00 179.25 179.86 2bbu h VAL 9 N -0.22 1.12 -0.55 0.00 -1.51 -0.66 0.50 116.25 114.93 2bbu h VAL 9 Ca -0.07 -0.41 0.07 0.00 -1.23 0.00 0.00 66.70 65.06 2bbu h VAL 9 Cb 1.29 -0.17 -0.06 0.00 -2.13 0.00 0.00 31.29 30.22 2bbu h VAL 9 CO 0.11 0.22 0.23 -0.09 -1.23 0.00 0.00 177.57 176.80 2bbu h ARG 10 N 1.19 0.42 0.04 5.19 2.43 -1.34 0.73 114.38 123.04 2bbu h ARG 10 Ca 0.41 -0.03 -0.23 0.00 -0.81 0.00 0.00 59.98 59.33 2bbu h ARG 10 Cb 0.10 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2bbu h ARG 10 CO -0.15 0.28 -1.02 -0.22 -1.51 0.00 0.00 179.97 177.35 2bbu h LYS 11 N 0.43 0.18 -0.29 0.20 1.63 -1.32 -3.02 116.57 114.38 2bbu h LYS 11 Ca 0.26 -0.25 -0.08 0.00 -0.85 0.00 0.00 60.65 59.73 2bbu h LYS 11 Cb 0.26 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 2bbu h LYS 11 CO -0.24 1.05 -0.13 1.25 -3.45 0.00 0.00 179.45 177.94 2bbu h LEU 12 N 0.08 0.62 -1.22 5.20 5.85 0.82 -3.00 115.31 123.65 2bbu h LEU 12 Ca -0.07 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 2bbu h LEU 12 Cb 1.72 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.56 2bbu h LEU 12 CO 0.16 0.89 -0.08 0.06 -0.34 0.00 0.00 178.44 179.12 2bbu h GLN 13 N 0.36 0.44 -0.30 1.25 3.07 0.37 -2.28 115.11 118.02 2bbu h GLN 13 Ca 0.07 -0.11 0.06 0.00 0.09 0.00 0.00 58.65 58.76 2bbu h GLN 13 Cb 0.65 -0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.14 2bbu h GLN 13 CO 0.04 0.53 0.21 0.93 0.09 0.00 0.00 178.83 180.63 2bbu h GLU 14 N 0.42 0.12 -0.48 0.06 5.08 -1.39 -1.55 114.58 116.85 2bbu h GLU 14 Ca 0.08 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 2bbu h GLU 14 Cb 0.40 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2bbu h GLU 14 CO 0.02 0.08 -0.10 0.77 -1.00 0.00 0.00 179.01 178.78 2bbu h SER 15 N 0.13 0.91 0.00 1.42 0.02 -1.41 -3.47 113.55 111.15 2bbu h SER 15 Ca 0.14 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 2bbu h SER 15 Cb 0.38 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2bbu h SER 15 CO -0.02 1.06 0.00 0.61 -1.14 0.00 0.00 176.83 177.34 2bbu n GLY 16 N -0.23 1.34 1.21 -3.77 0.00 -0.58 -5.02 105.19 98.13 2bbu n GLY 16 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2bbu n GLY 16 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2bbu n PHE 17 N -0.27 0.00 -3.32 1.61 -1.74 -1.26 -4.27 117.46 108.20 2bbu n PHE 17 Ca 0.00 -0.41 -0.38 0.00 -0.56 0.00 0.00 57.45 56.10 2bbu n PHE 17 Cb 0.00 0.03 -0.06 0.00 1.52 0.00 0.00 39.48 40.97 2bbu n PHE 17 CO 0.00 0.00 0.00 -0.47 -0.56 0.00 0.00 176.76 175.73 2bbu s TYR 18 N 0.00 3.69 0.11 2.97 6.14 -1.26 -4.73 117.35 124.26 2bbu s TYR 18 Ca 0.20 1.09 0.09 0.00 0.64 0.00 0.00 57.07 59.10 2bbu s TYR 18 Cb 0.23 -2.49 -0.04 0.00 0.42 0.00 0.00 41.96 40.09 2bbu s TYR 18 CO -0.10 0.44 -0.21 -1.58 0.64 0.00 0.00 175.55 174.74 2bbu s TRP 19 N -0.45 2.46 0.00 4.97 0.52 -0.55 -4.92 118.94 120.98 2bbu s TRP 19 Ca 0.28 -0.30 0.00 0.00 0.02 0.00 0.00 56.10 56.09 2bbu s TRP 19 Cb -0.17 -1.33 0.00 0.00 -1.15 0.00 0.00 33.47 30.81 2bbu s TRP 19 CO 0.15 0.35 0.00 -1.13 0.02 0.00 0.00 176.95 176.34 2bbu n SER 20 N 0.95 0.00 0.11 2.95 3.41 -1.25 -2.40 113.62 117.39 2bbu n SER 20 Ca -0.16 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.51 2bbu n SER 20 Cb 0.53 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.84 2bbu n SER 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bbu n ALA 21 N 0.00 0.93 -1.97 7.33 0.00 -1.26 -4.56 120.51 120.98 2bbu n ALA 21 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2bbu n ALA 21 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 2bbu n ALA 21 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2bbu n VAL 22 N -1.96 0.00 -2.43 0.00 0.24 -1.26 -5.09 118.33 107.83 2bbu n VAL 22 Ca -0.01 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 62.04 2bbu n VAL 22 Cb 0.09 -0.46 0.11 0.00 -1.47 0.00 0.00 33.84 32.10 2bbu n VAL 22 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2bbu s THR 23 N 2.47 2.19 0.00 3.34 2.01 -1.26 -4.77 115.64 119.62 2bbu s THR 23 Ca 0.00 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.54 2bbu s THR 23 Cb 0.00 -2.73 0.00 0.00 0.01 0.00 0.00 72.50 69.78 2bbu s THR 23 CO 0.00 0.00 0.31 0.61 -0.69 0.00 0.00 174.62 174.85 2bbu n GLY 24 N -2.95 -2.45 0.07 4.40 0.00 -1.26 -1.51 105.19 101.49 2bbu n GLY 24 Ca 0.13 0.34 -0.07 0.00 0.00 0.00 0.00 46.02 46.42 2bbu n GLY 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bbu h GLY 25 N 0.00 0.03 1.71 -0.02 0.00 -1.97 -3.25 103.07 99.58 2bbu h GLY 25 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.28 2bbu h GLY 25 CO 0.00 0.07 0.11 0.83 0.00 0.00 0.00 176.54 177.55 2bbu h GLU 26 N 0.01 0.00 -0.00 4.80 4.39 -1.95 0.31 114.58 122.14 2bbu h GLU 26 Ca -0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2bbu h GLU 26 Cb 1.73 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.38 2bbu h GLU 26 CO 0.13 0.00 -0.00 0.00 -1.16 0.00 0.00 179.01 177.98 2bbu h ALA 27 N 1.88 0.00 -0.14 3.43 0.00 -1.30 -2.18 119.26 120.96 2bbu h ALA 27 Ca 0.05 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2bbu h ALA 27 Cb 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2bbu h ALA 27 CO -0.00 -0.25 -0.15 -2.95 0.00 0.00 0.00 179.25 175.90 2bbu h ASN 28 N -0.49 0.36 -0.21 0.00 7.08 -1.48 -3.18 115.58 117.66 2bbu h ASN 28 Ca 0.00 -0.49 0.03 0.00 -3.08 0.00 0.00 56.30 52.76 2bbu h ASN 28 Cb 0.50 -0.10 -0.01 0.00 -2.08 0.00 0.00 38.32 36.62 2bbu h ASN 28 CO 0.00 0.78 0.15 -0.07 -2.08 0.00 0.00 177.43 176.21 2bbu h LEU 29 N -0.04 0.15 -2.12 6.14 4.07 -0.50 -1.36 115.31 121.64 2bbu h LEU 29 Ca 0.02 -0.00 0.06 0.00 0.08 0.00 0.00 57.88 58.03 2bbu h LEU 29 Cb 0.68 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.38 2bbu h LEU 29 CO 0.04 0.10 0.31 0.17 -1.08 0.00 0.00 178.44 177.98 2bbu h LEU 30 N 0.17 0.00 -0.83 1.67 8.10 -1.37 0.65 115.31 123.71 2bbu h LEU 30 Ca 0.09 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.96 2bbu h LEU 30 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.35 2bbu h LEU 30 CO -0.02 0.00 -0.39 0.17 -4.11 0.00 0.00 178.44 174.10 2bbu h LEU 31 N 0.00 0.42 -0.83 0.17 8.10 -1.41 -1.89 115.31 119.88 2bbu h LEU 31 Ca 0.09 -0.18 -0.12 0.00 0.11 0.00 0.00 57.88 57.78 2bbu h LEU 31 Cb 0.71 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.80 2bbu h LEU 31 CO -0.00 0.77 -0.47 -1.28 -4.11 0.00 0.00 178.44 173.35 2bbu h SER 32 N 0.34 0.28 1.86 0.17 0.87 0.17 -0.92 113.55 116.33 2bbu h SER 32 Ca 0.03 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 2bbu h SER 32 Cb 0.83 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2bbu h SER 32 CO 0.07 0.72 -0.14 0.00 -0.53 0.00 0.00 176.83 176.95 2bbu h ALA 33 N 1.29 0.92 -3.00 6.23 0.00 -1.17 -3.40 119.26 120.14 2bbu h ALA 33 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bbu h ALA 33 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2bbu h ALA 33 CO 0.07 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.81 2bbu n GLU 34 N -3.09 0.00 -1.37 0.00 4.71 -0.74 -4.88 120.64 115.28 2bbu n GLU 34 Ca 0.03 0.00 -0.41 0.00 -0.01 0.00 0.00 57.16 56.78 2bbu n GLU 34 Cb 0.56 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.96 2bbu n GLU 34 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2bbu n PRO 35 N -0.94 2.27 -1.57 3.49 -0.04 -0.39 -4.95 135.00 132.87 2bbu n PRO 35 Ca 0.00 -2.15 -0.44 0.00 -0.04 0.00 0.00 63.50 60.87 2bbu n PRO 35 Cb 0.00 -3.03 -0.01 0.00 -0.04 0.00 0.00 33.50 30.43 2bbu n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu n ALA 36 N 6.35 -0.34 -1.09 0.55 0.00 -0.96 -1.47 120.51 123.55 2bbu n ALA 36 Ca 0.52 0.33 -0.01 0.00 0.00 0.00 0.00 53.44 54.28 2bbu n ALA 36 Cb 0.36 -2.00 -0.00 0.00 0.00 0.00 0.00 19.45 17.81 2bbu n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bbu n GLY 37 N 1.29 0.46 3.44 0.00 0.00 -1.26 -5.01 105.19 104.11 2bbu n GLY 37 Ca 0.10 -1.03 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2bbu n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbu s THR 38 N -2.04 2.61 -0.03 2.61 2.01 -0.54 -2.73 115.64 117.53 2bbu s THR 38 Ca 0.00 -1.48 0.07 0.00 0.31 0.00 0.00 61.69 60.59 2bbu s THR 38 Cb 0.00 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.34 2bbu s THR 38 CO 0.00 0.18 -0.23 0.72 -0.69 0.00 0.00 174.62 174.60 2bbu s PHE 39 N -1.04 2.14 0.05 4.92 -0.12 -1.18 -4.16 117.98 118.59 2bbu s PHE 39 Ca 0.16 -0.46 -0.00 0.00 -0.05 0.00 0.00 56.93 56.58 2bbu s PHE 39 Cb -0.10 -1.38 -0.03 0.00 -0.63 0.00 0.00 43.02 40.87 2bbu s PHE 39 CO 0.07 -0.07 -0.04 -1.17 -0.05 0.00 0.00 175.22 173.96 2bbu s LEU 40 N -0.45 2.41 -0.09 -1.99 0.20 -1.23 -3.58 118.68 113.95 2bbu s LEU 40 Ca 0.06 -0.84 0.02 0.00 0.69 0.00 0.00 54.13 54.06 2bbu s LEU 40 Cb -0.10 0.10 -0.02 0.00 -0.43 0.00 0.00 46.19 45.74 2bbu s LEU 40 CO 0.00 -0.47 -0.16 -0.51 -0.29 0.00 0.00 176.35 174.92 2bbu s ILE 41 N -3.05 2.84 -0.03 6.68 2.07 -1.26 -2.87 121.20 125.58 2bbu s ILE 41 Ca 0.01 -0.76 0.03 0.00 -1.41 0.00 0.00 60.65 58.52 2bbu s ILE 41 Cb 0.02 -2.14 -0.03 0.00 0.13 0.00 0.00 42.46 40.43 2bbu s ILE 41 CO -0.06 0.55 -0.12 0.00 -1.91 0.00 0.00 174.94 173.41 2bbu s ARG 42 N -0.05 2.52 0.04 3.50 1.04 -0.37 -1.48 118.95 124.15 2bbu s ARG 42 Ca -0.04 -0.70 -0.28 0.00 -1.04 0.00 0.00 55.73 53.67 2bbu s ARG 42 Cb -0.14 -2.43 -0.05 0.00 -2.04 0.00 0.00 34.95 30.29 2bbu s ARG 42 CO 0.04 0.62 0.88 0.34 -0.04 0.00 0.00 175.30 177.14 2bbu s ASP 43 N -0.97 7.32 0.05 -2.89 -1.08 -1.01 -1.87 116.67 116.22 2bbu s ASP 43 Ca 0.13 1.59 -0.23 0.00 -0.52 0.00 0.00 52.55 53.52 2bbu s ASP 43 Cb -0.11 -2.53 -0.12 0.00 -1.46 0.00 0.00 42.92 38.71 2bbu s ASP 43 CO 0.03 -0.10 1.35 0.77 0.52 0.00 0.00 175.17 177.73 2bbu h SER 44 N 6.08 -0.83 0.00 -0.34 4.64 0.33 -3.46 113.55 119.98 2bbu h SER 44 Ca -0.42 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2bbu h SER 44 Cb 1.21 0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.56 2bbu h SER 44 CO 0.73 -0.45 0.00 -0.24 -0.87 0.00 0.00 176.83 176.00 2bbu n SER 45 N -4.30 -3.39 0.00 4.97 2.88 -1.26 -4.90 113.62 107.61 2bbu n SER 45 Ca -0.08 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 2bbu n SER 45 Cb 0.30 -1.87 0.00 0.00 -0.75 0.00 0.00 64.21 61.89 2bbu n SER 45 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2bbu n ASP 46 N -0.39 0.00 0.02 -3.46 -0.08 -1.26 -4.95 116.55 106.43 2bbu n ASP 46 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 2bbu n ASP 46 Cb 0.19 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.56 2bbu n ASP 46 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2bbu n GLN 47 N 0.00 0.63 0.22 -0.67 7.27 -1.26 -3.94 117.38 119.63 2bbu n GLN 47 Ca 0.00 0.22 0.11 0.00 0.07 0.00 0.00 57.00 57.40 2bbu n GLN 47 Cb 0.00 -1.79 0.35 0.00 2.41 0.00 0.00 30.24 31.21 2bbu n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bbu h ARG 48 N 0.00 0.00 -5.93 3.69 -0.00 -1.97 -3.49 114.38 106.68 2bbu h ARG 48 Ca -0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.29 2bbu h ARG 48 Cb 1.66 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.63 2bbu h ARG 48 CO 0.05 0.15 -0.99 0.72 0.00 0.00 0.00 179.97 179.90 2bbu n HIS 49 N -3.20 -1.42 -3.82 3.04 8.25 -1.25 -4.45 115.22 112.37 2bbu n HIS 49 Ca 0.02 0.63 0.03 0.00 -0.26 0.00 0.00 57.72 58.14 2bbu n HIS 49 Cb 0.49 -2.06 0.01 0.00 1.12 0.00 0.00 29.99 29.54 2bbu n HIS 49 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2bbu s PHE 50 N -1.20 -0.00 0.00 4.41 -0.71 -1.26 -3.83 117.98 115.40 2bbu s PHE 50 Ca -0.00 -0.07 0.06 0.00 -1.04 0.00 0.00 56.93 55.87 2bbu s PHE 50 Cb 0.00 0.54 -0.02 0.00 -1.21 0.00 0.00 43.02 42.33 2bbu s PHE 50 CO 0.28 -0.18 -0.19 -0.59 -1.34 0.00 0.00 175.22 173.19 2bbu s PHE 51 N -2.12 1.67 0.04 3.49 -0.12 -1.26 0.26 117.98 119.94 2bbu s PHE 51 Ca 0.23 -0.33 0.07 0.00 -0.05 0.00 0.00 56.93 56.85 2bbu s PHE 51 Cb 0.03 -1.05 -0.02 0.00 -0.63 0.00 0.00 43.02 41.34 2bbu s PHE 51 CO -0.03 0.01 -0.20 -0.08 -0.05 0.00 0.00 175.22 174.87 2bbu s THR 52 N -0.56 1.58 -0.07 -4.49 -1.32 -0.78 -4.43 115.64 105.58 2bbu s THR 52 Ca 0.07 -1.13 0.05 0.00 -1.21 0.00 0.00 61.69 59.47 2bbu s THR 52 Cb -0.08 -1.37 -0.00 0.00 -1.51 0.00 0.00 72.50 69.54 2bbu s THR 52 CO 0.00 0.21 -0.22 -0.22 -2.21 0.00 0.00 174.62 172.18 2bbu s LEU 53 N -1.08 2.01 0.04 9.08 2.96 -1.06 -1.23 118.68 129.40 2bbu s LEU 53 Ca 0.07 -0.47 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 2bbu s LEU 53 Cb -0.08 -1.25 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 2bbu s LEU 53 CO 0.01 0.19 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.64 2bbu s SER 54 N 0.07 0.49 0.34 3.68 0.15 -1.14 -3.55 113.70 113.74 2bbu s SER 54 Ca -0.08 -0.72 0.03 0.00 0.70 0.00 0.00 55.95 55.88 2bbu s SER 54 Cb -0.14 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 2bbu s SER 54 CO 0.05 -0.40 0.14 0.54 1.20 0.00 0.00 173.24 174.76 2bbu s VAL 55 N -2.48 0.53 -0.14 4.45 0.11 -1.26 -3.48 120.40 118.14 2bbu s VAL 55 Ca -0.05 -2.00 -0.06 0.00 -2.93 0.00 0.00 61.98 56.94 2bbu s VAL 55 Cb -0.03 -2.50 -0.04 0.00 -1.53 0.00 0.00 36.38 32.28 2bbu s VAL 55 CO -0.04 0.00 0.07 -0.75 -3.33 0.00 0.00 175.10 171.05 2bbu s LYS 56 N -3.79 3.59 0.00 1.54 2.20 -1.26 -4.11 119.74 117.91 2bbu s LYS 56 Ca 0.32 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 2bbu s LYS 56 Cb 0.05 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.26 2bbu s LYS 56 CO 0.16 0.52 0.00 2.41 -0.36 0.00 0.00 175.35 178.08 2bbu n THR 57 N 2.76 0.00 0.25 3.43 -1.04 -1.16 -4.38 114.28 114.14 2bbu n THR 57 Ca -0.18 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 61.95 2bbu n THR 57 Cb 0.53 -0.45 0.66 0.00 -1.82 0.00 0.00 70.33 69.26 2bbu n THR 57 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 2bbu h GLN 58 N 0.00 0.00 0.00 -2.82 3.07 -1.99 -3.39 115.11 109.98 2bbu h GLN 58 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 2bbu h GLN 58 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.54 2bbu h GLN 58 CO 0.00 0.15 -0.04 0.43 0.09 0.00 0.00 178.83 179.46 2bbu n SER 59 N -3.56 -0.14 -3.52 0.06 7.64 -1.26 -5.11 113.62 107.72 2bbu n SER 59 Ca -0.01 -0.29 -0.21 0.00 1.01 0.00 0.00 58.87 59.37 2bbu n SER 59 Cb 0.29 0.04 -0.14 0.00 -1.01 0.00 0.00 64.21 63.39 2bbu n SER 59 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2bbu s GLY 60 N -0.14 0.11 -0.43 0.23 0.00 -1.26 -5.11 107.32 100.71 2bbu s GLY 60 Ca 0.00 0.08 -0.16 0.00 0.00 0.00 0.00 44.72 44.63 2bbu s GLY 60 CO 0.00 2.04 0.40 -0.51 0.00 0.00 0.00 173.10 175.02 2bbu s THR 61 N 2.27 5.16 0.26 0.90 -4.23 -1.26 -2.99 115.64 115.75 2bbu s THR 61 Ca 0.06 -0.58 0.11 0.00 -1.18 0.00 0.00 61.69 60.09 2bbu s THR 61 Cb -0.16 -4.03 -0.05 0.00 1.34 0.00 0.00 72.50 69.60 2bbu s THR 61 CO -0.12 -0.44 -0.12 -0.54 -0.54 0.00 0.00 174.62 172.87 2bbu s LYS 62 N 1.94 1.93 -0.11 3.99 3.01 -1.26 -5.07 119.74 124.17 2bbu s LYS 62 Ca 0.09 -1.59 -0.00 0.00 -1.01 0.00 0.00 55.97 53.46 2bbu s LYS 62 Cb -0.19 -1.95 -0.02 0.00 -1.01 0.00 0.00 37.83 34.66 2bbu s LYS 62 CO 0.11 0.35 -0.10 -0.80 0.51 0.00 0.00 175.35 175.43 2bbu s ASN 63 N -3.48 4.36 -0.25 2.83 0.01 -1.26 -4.16 114.94 112.99 2bbu s ASN 63 Ca 0.30 -0.18 -0.06 0.00 -0.71 0.00 0.00 52.86 52.21 2bbu s ASN 63 Cb -0.06 -1.41 -0.01 0.00 0.41 0.00 0.00 41.25 40.19 2bbu s ASN 63 CO 0.17 0.25 0.03 -0.76 -1.51 0.00 0.00 177.10 175.27 2bbu s LEU 64 N -0.13 3.37 0.09 0.60 2.01 -1.23 -5.01 118.68 118.38 2bbu s LEU 64 Ca 0.00 -0.48 0.09 0.00 0.01 0.00 0.00 54.13 53.75 2bbu s LEU 64 Cb -0.13 -1.83 -0.04 0.00 0.01 0.00 0.00 46.19 44.20 2bbu s LEU 64 CO 0.03 -0.09 -0.20 0.00 1.01 0.00 0.00 176.35 177.11 2bbu s ARG 65 N 1.51 1.80 0.05 1.70 1.04 -1.26 -2.57 118.95 121.23 2bbu s ARG 65 Ca 0.05 -1.15 -0.30 0.00 -1.04 0.00 0.00 55.73 53.28 2bbu s ARG 65 Cb -0.16 -2.09 -0.05 0.00 -2.04 0.00 0.00 34.95 30.61 2bbu s ARG 65 CO 0.00 0.49 1.10 -1.50 -0.04 0.00 0.00 175.30 175.36 2bbu s ILE 66 N -1.05 4.36 0.18 4.99 1.10 -1.26 -4.65 121.20 124.86 2bbu s ILE 66 Ca 0.16 1.73 -0.05 0.00 -0.51 0.00 0.00 60.65 61.98 2bbu s ILE 66 Cb -0.10 -4.11 -0.06 0.00 0.15 0.00 0.00 42.46 38.34 2bbu s ILE 66 CO 0.08 0.15 0.42 -1.10 -2.11 0.00 0.00 174.94 172.38 2bbu s GLN 67 N 0.90 3.63 -0.09 3.50 -1.52 0.76 -4.78 119.66 122.06 2bbu s GLN 67 Ca 0.55 -0.07 -0.10 0.00 -1.95 0.00 0.00 55.36 53.79 2bbu s GLN 67 Cb -0.26 -2.80 -0.05 0.00 -0.22 0.00 0.00 33.01 29.69 2bbu s GLN 67 CO 0.29 0.41 0.22 0.00 -0.25 0.00 0.00 175.29 175.96 2bbu s GLU 69 N -0.91 1.05 -0.68 0.00 2.02 0.32 -4.78 118.70 115.72 2bbu s GLU 69 Ca 0.17 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.69 2bbu s GLU 69 Cb -0.13 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.09 2bbu s GLU 69 CO 0.06 -0.52 0.00 0.41 0.02 0.00 0.00 175.26 175.23 2bbu n GLY 70 N 4.95 0.17 0.00 -1.39 0.00 -1.26 0.25 105.19 107.91 2bbu n GLY 70 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2bbu n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbu n GLY 71 N -0.36 0.58 3.91 -0.02 0.00 -1.26 -4.77 105.19 103.27 2bbu n GLY 71 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 2bbu n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bbu s SER 72 N -2.16 6.43 -0.16 1.61 0.01 0.69 -4.35 113.70 115.77 2bbu s SER 72 Ca 0.00 0.55 -0.01 0.00 1.31 0.00 0.00 55.95 57.79 2bbu s SER 72 Cb 0.00 -2.07 -0.01 0.00 0.21 0.00 0.00 66.02 64.15 2bbu s SER 72 CO 0.00 -0.07 -0.10 0.12 0.41 0.00 0.00 173.24 173.59 2bbu s PHE 73 N -1.90 2.87 -0.08 2.43 5.36 -0.45 0.12 117.98 126.33 2bbu s PHE 73 Ca 0.41 -0.75 -0.23 0.00 -0.96 0.00 0.00 56.93 55.40 2bbu s PHE 73 Cb -0.11 -1.93 0.05 0.00 -0.34 0.00 0.00 43.02 40.69 2bbu s PHE 73 CO 0.28 -0.32 0.53 -1.12 -1.46 0.00 0.00 175.22 173.14 2bbu s SER 74 N 0.70 -0.49 0.14 6.13 0.01 0.25 0.29 113.70 120.73 2bbu s SER 74 Ca -0.05 0.61 0.25 0.00 1.31 0.00 0.00 55.95 58.08 2bbu s SER 74 Cb -0.15 0.61 0.94 0.00 0.21 0.00 0.00 66.02 67.63 2bbu s SER 74 CO 0.02 -0.46 1.78 -0.11 0.41 0.00 0.00 173.24 174.88 2bbu n LEU 75 N 1.48 0.50 0.00 2.44 7.94 -1.26 0.27 117.00 128.37 2bbu n LEU 75 Ca -0.19 0.56 0.00 0.00 -1.11 0.00 0.00 56.01 55.28 2bbu n LEU 75 Cb 0.56 -0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.09 2bbu n LEU 75 CO 0.19 -0.20 0.00 0.00 -1.11 0.00 0.00 177.39 176.27 2bbu n GLN 76 N -1.99 2.95 -2.54 1.96 3.00 -1.26 -4.61 117.38 114.89 2bbu n GLN 76 Ca 0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 57.00 57.00 2bbu n GLN 76 Cb 0.35 0.00 0.09 0.00 0.00 0.00 0.00 30.24 30.68 2bbu n GLN 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2bbu n SER 77 N 0.00 -1.41 -4.08 1.08 2.88 -1.26 -4.55 113.62 106.28 2bbu n SER 77 Ca 0.00 -2.09 -0.32 0.00 -1.33 0.00 0.00 58.87 55.13 2bbu n SER 77 Cb 0.00 0.77 -0.15 0.00 -0.75 0.00 0.00 64.21 64.08 2bbu n SER 77 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2bbu s ASP 78 N -0.90 4.20 -1.07 -3.46 1.01 -1.26 -5.01 116.67 110.17 2bbu s ASP 78 Ca 0.12 -1.26 -0.09 0.00 0.71 0.00 0.00 52.55 52.03 2bbu s ASP 78 Cb 0.33 -1.53 -0.07 0.00 1.01 0.00 0.00 42.92 42.66 2bbu s ASP 78 CO -0.09 -0.15 2.27 -0.81 0.21 0.00 0.00 175.17 176.60 2bbu n PRO 79 N 4.47 2.38 -0.04 8.23 -0.04 -1.26 -4.60 135.00 144.14 2bbu n PRO 79 Ca -0.15 -1.72 -0.12 0.00 -0.04 0.00 0.00 63.50 61.47 2bbu n PRO 79 Cb 0.44 -2.62 -0.07 0.00 -0.04 0.00 0.00 33.50 31.20 2bbu n PRO 79 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2bbu h ARG 80 N 6.23 0.20 0.00 0.54 9.65 -2.06 -3.48 114.38 125.46 2bbu h ARG 80 Ca 0.57 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.37 2bbu h ARG 80 Cb 0.27 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2bbu h ARG 80 CO 1.60 0.50 0.00 0.45 2.80 0.00 0.00 179.97 185.33 2bbu n SER 81 N -4.77 0.00 -3.93 -3.80 2.88 -1.26 -5.06 113.62 97.69 2bbu n SER 81 Ca -0.06 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.08 2bbu n SER 81 Cb 0.24 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.68 2bbu n SER 81 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2bbu n THR 82 N -0.25 4.52 -0.32 2.46 -2.24 -1.26 -4.89 114.28 112.30 2bbu n THR 82 Ca 0.00 -5.69 -0.07 0.00 -2.27 0.00 0.00 64.05 56.02 2bbu n THR 82 Cb 0.00 -2.15 -0.03 0.00 -2.10 0.00 0.00 70.33 66.05 2bbu n THR 82 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2bbu h GLN 83 N 5.33 -0.10 0.00 -0.78 4.15 -2.04 -3.34 115.11 118.33 2bbu h GLN 83 Ca 0.20 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.62 2bbu h GLN 83 Cb 0.66 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.37 2bbu h GLN 83 CO 1.18 -0.06 0.00 -0.35 -1.93 0.00 0.00 178.83 177.66 2bbu n PRO 84 N -5.39 0.00 -4.32 -2.39 -0.04 -1.26 -5.05 135.00 116.56 2bbu n PRO 84 Ca 0.04 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.33 2bbu n PRO 84 Cb 0.34 -0.02 -0.10 0.00 -0.04 0.00 0.00 33.50 33.69 2bbu n PRO 84 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bbu s VAL 85 N 0.00 0.39 0.16 0.52 0.11 -1.25 -5.08 120.40 115.24 2bbu s VAL 85 Ca 0.00 -2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 56.75 2bbu s VAL 85 Cb 0.00 -2.55 -0.08 0.00 -1.53 0.00 0.00 36.38 32.21 2bbu s VAL 85 CO 0.00 0.00 1.32 -2.16 -3.33 0.00 0.00 175.10 170.93 2bbu s PRO 86 N -3.92 4.37 -1.02 1.54 0.04 -1.26 -2.62 135.00 132.13 2bbu s PRO 86 Ca 0.37 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.41 2bbu s PRO 86 Cb 0.06 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2bbu s PRO 86 CO 0.16 -0.31 0.31 0.54 0.04 0.00 0.00 177.00 177.74 2bbu n ARG 87 N 3.18 -2.70 -1.55 4.56 1.74 -1.26 -5.01 116.66 115.62 2bbu n ARG 87 Ca 0.08 0.59 -0.17 0.00 -0.77 0.00 0.00 57.85 57.58 2bbu n ARG 87 Cb 0.43 -4.78 0.10 0.00 -1.02 0.00 0.00 32.46 27.20 2bbu n ARG 87 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2bbu n PHE 88 N -4.04 -3.55 -3.85 -1.55 -1.74 -1.08 -4.63 117.46 97.02 2bbu n PHE 88 Ca -0.09 -0.95 -0.36 0.00 -0.56 0.00 0.00 57.45 55.49 2bbu n PHE 88 Cb 0.59 -0.57 -0.13 0.00 1.52 0.00 0.00 39.48 40.89 2bbu n PHE 88 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 2bbu s ASP 89 N -3.88 5.00 0.00 5.98 -4.77 -1.26 -1.35 116.67 116.39 2bbu s ASP 89 Ca 0.46 -1.13 0.29 0.00 -3.30 0.00 0.00 52.55 48.87 2bbu s ASP 89 Cb -0.02 -1.78 1.33 0.00 -1.09 0.00 0.00 42.92 41.36 2bbu s ASP 89 CO 0.31 -0.26 1.93 0.00 0.70 0.00 0.00 175.17 177.85 2bbu h VAL 91 N 0.27 0.51 -0.42 0.00 3.04 -1.91 0.55 116.25 118.30 2bbu h VAL 91 Ca 0.00 -0.04 0.01 0.00 -1.01 0.00 0.00 66.70 65.67 2bbu h VAL 91 Cb 0.34 0.40 -0.03 0.00 -2.01 0.00 0.00 31.29 29.99 2bbu h VAL 91 CO 0.00 0.02 0.25 -0.07 -1.01 0.00 0.00 177.57 176.76 2bbu h LEU 92 N 0.10 0.42 -1.23 3.16 4.07 -1.92 -0.82 115.31 119.10 2bbu h LEU 92 Ca 0.50 -0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.38 2bbu h LEU 92 Cb 1.81 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 43.44 2bbu h LEU 92 CO -0.07 0.30 -0.34 0.50 -1.08 0.00 0.00 178.44 177.75 2bbu h LYS 93 N 0.52 0.07 -0.54 1.13 1.63 -0.23 -2.59 116.57 116.56 2bbu h LYS 93 Ca 0.16 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.98 2bbu h LYS 93 Cb -0.01 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 2bbu h LYS 93 CO -0.07 0.41 0.36 1.25 -3.45 0.00 0.00 179.45 177.95 2bbu h LEU 94 N 0.06 0.50 -1.26 5.20 6.46 0.25 -1.21 115.31 125.32 2bbu h LEU 94 Ca 0.01 -0.00 0.12 0.00 -0.12 0.00 0.00 57.88 57.89 2bbu h LEU 94 Cb 0.64 -0.11 -0.07 0.00 -0.73 0.00 0.00 40.66 40.39 2bbu h LEU 94 CO 0.05 0.34 0.57 -0.37 -0.62 0.00 0.00 178.44 178.41 2bbu h VAL 95 N 0.58 0.88 -0.44 1.05 -1.51 -1.03 -0.15 116.25 115.63 2bbu h VAL 95 Ca 0.22 -0.26 0.06 0.00 -1.23 0.00 0.00 66.70 65.50 2bbu h VAL 95 Cb 0.15 0.07 -0.05 0.00 -2.13 0.00 0.00 31.29 29.33 2bbu h VAL 95 CO -0.06 0.14 0.13 0.45 -1.23 0.00 0.00 177.57 177.00 2bbu h HIS 96 N 0.75 0.23 -0.63 5.19 3.86 -1.36 0.11 115.15 123.31 2bbu h HIS 96 Ca 0.43 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.65 2bbu h HIS 96 Cb 0.60 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 2bbu h HIS 96 CO -0.00 0.07 0.34 1.25 0.86 0.00 0.00 177.93 180.45 2bbu h HIS 97 N 0.29 0.85 0.00 2.45 6.17 -1.13 0.41 115.15 124.19 2bbu h HIS 97 Ca 0.21 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.28 2bbu h HIS 97 Cb 0.23 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 29.89 2bbu h HIS 97 CO -0.17 0.59 0.00 0.66 0.71 0.00 0.00 177.93 179.72 2bbu n TYR 98 N -4.38 0.00 -3.31 5.26 4.01 -0.02 -4.40 117.16 114.32 2bbu n TYR 98 Ca 0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.83 2bbu n TYR 98 Cb 0.10 -0.47 -0.03 0.00 -0.31 0.00 0.00 39.34 38.63 2bbu n TYR 98 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bbu s MET 99 N -2.94 0.37 0.29 -0.72 0.23 0.13 -4.40 119.30 112.26 2bbu s MET 99 Ca 0.04 0.79 0.12 0.00 -1.03 0.00 0.00 55.69 55.61 2bbu s MET 99 Cb 0.05 0.46 0.41 0.00 -1.53 0.00 0.00 34.83 34.22 2bbu s MET 99 CO 0.13 -0.26 1.64 -1.00 -2.03 0.00 0.00 175.02 173.50 2bbu h PRO 100 N 7.82 0.00 -7.33 3.16 0.13 -1.78 -3.42 132.00 130.58 2bbu h PRO 100 Ca -0.17 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.45 2bbu h PRO 100 Cb 1.14 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.37 2bbu h PRO 100 CO 0.08 0.58 0.36 -1.25 -0.23 0.00 0.00 178.00 177.54 2bbu s PRO 101 N -3.64 2.86 0.01 1.56 0.04 -1.26 -4.98 135.00 129.59 2bbu s PRO 101 Ca -0.01 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 61.71 2bbu s PRO 101 Cb 0.13 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 2bbu s PRO 101 CO 0.75 -1.16 1.29 -1.25 0.04 0.00 0.00 177.00 176.67 2bbu s PRO 102 N -5.01 4.34 0.04 0.56 0.04 -1.26 -4.96 135.00 128.75 2bbu s PRO 102 Ca 0.58 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 63.33 2bbu s PRO 102 Cb -0.14 -3.48 -0.06 0.00 0.04 0.00 0.00 34.50 30.86 2bbu s PRO 102 CO 0.55 -0.45 1.22 0.78 0.04 0.00 0.00 177.00 179.14 2bbu h GLY 103 N 7.76 -1.13 -3.20 0.56 0.00 -1.93 -3.45 103.07 101.69 2bbu h GLY 103 Ca -0.38 0.53 -0.13 0.00 0.00 0.00 0.00 47.33 47.35 2bbu h GLY 103 CO 0.87 -0.37 -0.68 -0.51 0.00 0.00 0.00 176.54 175.85 2bbu s THR 104 N -4.09 0.23 0.00 4.70 -4.23 -1.26 -5.12 115.64 105.87 2bbu s THR 104 Ca -0.07 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 2bbu s THR 104 Cb 0.02 -1.57 0.00 0.00 1.34 0.00 0.00 72.50 72.29 2bbu s THR 104 CO 0.24 -0.95 0.00 -0.81 -0.54 0.00 0.00 174.62 172.56 2bbu n PRO 105 N 0.09 0.00 0.00 3.99 -0.04 -1.26 -4.97 135.00 132.80 2bbu n PRO 105 Ca -0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.33 2bbu n PRO 105 Cb 0.61 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 2bbu n PRO 105 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bbu n SER 106 N 0.00 1.52 -4.17 3.54 2.88 -1.26 -5.06 113.62 111.07 2bbu n SER 106 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2bbu n SER 106 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 2bbu n SER 106 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2bbu s PHE 107 N -1.52 2.22 -0.08 0.66 -0.12 -1.26 -5.05 117.98 112.84 2bbu s PHE 107 Ca 0.00 -0.87 -0.05 0.00 -0.05 0.00 0.00 56.93 55.96 2bbu s PHE 107 Cb 0.00 -1.51 -0.02 0.00 -0.63 0.00 0.00 43.02 40.87 2bbu s PHE 107 CO 0.00 -0.36 -0.09 1.03 -0.05 0.00 0.00 175.22 175.75 2bbu h SER 108 N 6.73 0.00 -3.21 1.98 0.87 -2.00 -3.47 113.55 114.45 2bbu h SER 108 Ca -0.23 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 59.82 2bbu h SER 108 Cb 1.22 0.00 -0.37 0.00 -0.44 0.00 0.00 62.40 62.81 2bbu h SER 108 CO 0.47 0.44 -0.79 -1.48 -0.53 0.00 0.00 176.83 174.94 2bbu s LEU 109 N -6.81 1.07 0.52 2.23 0.05 -1.26 -5.12 118.68 109.36 2bbu s LEU 109 Ca -0.07 -0.29 -0.19 0.00 0.05 0.00 0.00 54.13 53.62 2bbu s LEU 109 Cb 0.01 -0.74 -0.07 0.00 -2.05 0.00 0.00 46.19 43.34 2bbu s LEU 109 CO 0.11 -0.15 1.08 -2.16 -0.55 0.00 0.00 176.35 174.68 2bbu s PRO 110 N 1.77 3.55 -0.06 1.48 0.04 -1.26 -4.99 135.00 135.54 2bbu s PRO 110 Ca 0.05 1.44 -0.26 0.00 0.04 0.00 0.00 61.00 62.27 2bbu s PRO 110 Cb -0.13 -2.05 -0.21 0.00 0.04 0.00 0.00 34.50 32.16 2bbu s PRO 110 CO -0.07 -0.65 1.06 -1.00 0.04 0.00 0.00 177.00 176.37 2bbu h PRO 111 N 1.26 -0.05 -5.38 0.56 0.13 -2.02 -3.49 132.00 123.02 2bbu h PRO 111 Ca -0.49 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2bbu h PRO 111 Cb 1.24 0.01 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 2bbu h PRO 111 CO 0.58 0.55 -1.12 2.41 -0.23 0.00 0.00 178.00 180.19 2bbu n THR 112 N -4.81 -9.31 0.00 1.56 -1.04 -1.26 -4.91 114.28 94.50 2bbu n THR 112 Ca -0.09 1.91 0.00 0.00 -2.04 0.00 0.00 64.05 63.84 2bbu n THR 112 Cb 0.31 -5.37 0.00 0.00 -1.82 0.00 0.00 70.33 63.44 2bbu n THR 112 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2bbu n GLU 113 N 1.87 0.00 -2.14 -2.82 4.07 -1.26 -5.06 120.64 115.30 2bbu n GLU 113 Ca -0.27 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.53 2bbu n GLU 113 Cb 0.44 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.77 2bbu n GLU 113 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2bbu s PRO 114 N 0.00 2.74 0.56 5.31 0.04 -1.26 -4.82 135.00 137.56 2bbu s PRO 114 Ca 0.00 -0.49 0.00 0.00 0.04 0.00 0.00 61.00 60.55 2bbu s PRO 114 Cb 0.00 -5.13 0.00 0.00 0.04 0.00 0.00 34.50 29.41 2bbu s PRO 114 CO 0.00 -3.21 0.00 0.45 0.04 0.00 0.00 177.00 174.28 2bbu n SER 115 N 13.11 -8.15 0.23 6.66 2.88 -1.26 -4.46 113.62 122.63 2bbu n SER 115 Ca 0.39 1.33 -0.09 0.00 -1.33 0.00 0.00 58.87 59.17 2bbu n SER 115 Cb 0.48 -3.74 -0.04 0.00 -0.75 0.00 0.00 64.21 60.15 2bbu n SER 115 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2bbu h SER 116 N -1.15 -0.51 -5.34 -3.46 0.87 -2.03 -3.49 113.55 98.45 2bbu h SER 116 Ca 0.03 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2bbu h SER 116 Cb 1.13 0.13 -0.05 0.00 -0.44 0.00 0.00 62.40 63.17 2bbu h SER 116 CO 0.01 -0.25 -1.12 1.21 -0.53 0.00 0.00 176.83 176.15 2bbu n GLU 117 N -4.26 -3.32 -2.69 2.24 4.07 -1.26 -4.88 120.64 110.54 2bbu n GLU 117 Ca -0.07 2.66 -0.07 0.00 -0.06 0.00 0.00 57.16 59.61 2bbu n GLU 117 Cb 0.24 -4.36 0.08 0.00 -0.06 0.00 0.00 31.44 27.34 2bbu n GLU 117 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2bbu n VAL 118 N 1.29 0.42 -2.31 6.31 0.31 -1.26 -5.06 118.33 118.03 2bbu n VAL 118 Ca -0.15 -2.14 -0.43 0.00 -0.01 0.00 0.00 64.34 61.62 2bbu n VAL 118 Cb 0.29 0.88 -0.02 0.00 -0.91 0.00 0.00 33.84 34.07 2bbu n VAL 118 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2bbu s PRO 119 N -1.22 4.14 0.55 5.55 0.04 -1.26 -4.74 135.00 138.07 2bbu s PRO 119 Ca 0.24 1.71 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2bbu s PRO 119 Cb 0.42 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 31.12 2bbu s PRO 119 CO -0.04 -0.84 0.00 -1.91 0.04 0.00 0.00 177.00 174.25 2bbu n GLU 120 N 6.90 -4.10 -3.57 4.56 4.07 -1.26 -4.99 120.64 122.25 2bbu n GLU 120 Ca 0.15 3.14 -0.14 0.00 -0.06 0.00 0.00 57.16 60.26 2bbu n GLU 120 Cb 0.45 -3.81 -0.12 0.00 -0.06 0.00 0.00 31.44 27.90 2bbu n GLU 120 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 2bbu s GLN 121 N -4.89 0.20 0.34 5.31 -1.52 -1.26 -5.14 119.66 112.71 2bbu s GLN 121 Ca 0.00 0.60 -0.27 0.00 -1.95 0.00 0.00 55.36 53.74 2bbu s GLN 121 Cb 0.00 -0.37 -0.09 0.00 -0.22 0.00 0.00 33.01 32.33 2bbu s GLN 121 CO 0.00 -0.43 1.12 -1.25 -0.25 0.00 0.00 175.29 174.48 2bbu s PRO 122 N 2.43 4.38 0.00 2.91 0.04 -1.26 -5.02 135.00 138.49 2bbu s PRO 122 Ca 0.04 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2bbu s PRO 122 Cb -0.13 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.48 2bbu s PRO 122 CO -0.11 -0.01 0.01 -0.35 0.04 0.00 0.00 177.00 176.58 2bbu n PRO 123 N 0.64 0.00 0.00 0.56 -0.04 -1.26 -5.07 135.00 129.83 2bbu n PRO 123 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2bbu n PRO 123 Cb 0.46 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.71 2bbu n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu n ALA 124 N -2.83 0.00 -0.06 0.55 0.00 -1.26 -5.13 120.51 111.78 2bbu n ALA 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bbu n ALA 124 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bbu n ALA 124 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2bbu n GLN 125 N 0.00 0.00 -2.87 0.00 7.27 -1.26 -5.11 117.38 115.41 2bbu n GLN 125 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 2bbu n GLN 125 Cb 0.00 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 32.63 2bbu n GLN 125 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bbu n ALA 126 N -2.41 -2.59 -1.59 1.69 0.00 -1.26 -4.92 120.51 109.43 2bbu n ALA 126 Ca 0.00 0.91 -0.31 0.00 0.00 0.00 0.00 53.44 54.05 2bbu n ALA 126 Cb 0.00 -2.02 0.06 0.00 0.00 0.00 0.00 19.45 17.49 2bbu n ALA 126 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2bbu s LEU 127 N -0.74 2.94 -0.06 0.00 0.05 -1.26 -4.99 118.68 114.62 2bbu s LEU 127 Ca -0.10 1.48 -0.26 0.00 0.05 0.00 0.00 54.13 55.30 2bbu s LEU 127 Cb 0.01 -4.26 -0.21 0.00 -2.05 0.00 0.00 46.19 39.67 2bbu s LEU 127 CO 0.42 -1.60 1.06 1.55 -0.55 0.00 0.00 176.35 177.23 2bbu h PRO 128 N -0.83 -0.04 0.00 1.48 0.13 -2.07 -3.50 132.00 127.17 2bbu h PRO 128 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2bbu h PRO 128 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2bbu h PRO 128 CO 0.58 0.56 0.00 0.41 -0.23 0.00 0.00 178.00 179.32 2bbu n GLY 129 N 0.65 1.96 0.00 1.56 0.00 -1.26 -5.16 105.19 102.93 2bbu n GLY 129 Ca -0.09 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2bbu n GLY 129 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bbu n SER 130 N 0.00 0.00 -3.19 1.61 3.41 -1.26 -5.07 113.62 109.12 2bbu n SER 130 Ca 0.00 -0.87 -0.25 0.00 -0.26 0.00 0.00 58.87 57.50 2bbu n SER 130 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2bbu n SER 130 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2bbu n THR 131 N 0.00 1.42 -1.38 6.66 -1.04 -1.26 -4.99 114.28 113.69 2bbu n THR 131 Ca 0.00 -4.94 -0.42 0.00 -2.04 0.00 0.00 64.05 56.65 2bbu n THR 131 Cb 0.00 -1.52 -0.04 0.00 -1.82 0.00 0.00 70.33 66.95 2bbu n THR 131 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2bbu n PRO 132 N 0.55 1.87 -3.48 -2.82 -0.04 -1.26 -4.47 135.00 125.36 2bbu n PRO 132 Ca 0.27 -2.10 -0.16 0.00 -0.04 0.00 0.00 63.50 61.47 2bbu n PRO 132 Cb 0.48 -3.07 0.00 0.00 -0.04 0.00 0.00 33.50 30.87 2bbu n PRO 132 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2bbu n LYS 133 N 6.90 -1.54 -3.64 0.54 5.02 -1.26 -5.00 118.16 119.19 2bbu n LYS 133 Ca 0.50 1.13 -0.13 0.00 -2.02 0.00 0.00 58.31 57.78 2bbu n LYS 133 Cb 0.41 -3.62 -0.07 0.00 -0.02 0.00 0.00 35.03 31.72 2bbu n LYS 133 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2bbu s ARG 134 N -3.98 0.81 0.00 1.97 0.52 -1.26 -5.07 118.95 111.94 2bbu s ARG 134 Ca 0.04 0.99 0.00 0.00 -0.52 0.00 0.00 55.73 56.24 2bbu s ARG 134 Cb -0.01 0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.84 2bbu s ARG 134 CO 0.84 -0.10 0.00 0.00 0.02 0.00 0.00 175.30 176.06 2bbu n ALA 135 N 2.81 0.00 -2.92 2.13 0.00 -1.26 -5.00 120.51 116.27 2bbu n ALA 135 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 2bbu n ALA 135 Cb 0.55 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.89 2bbu n ALA 135 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2bbu s TYR 136 N 0.00 3.14 0.08 0.00 5.04 -1.26 -5.05 117.35 119.30 2bbu s TYR 136 Ca 0.00 -0.21 -0.22 0.00 -2.44 0.00 0.00 57.07 54.20 2bbu s TYR 136 Cb 0.00 -2.21 0.05 0.00 0.35 0.00 0.00 41.96 40.15 2bbu s TYR 136 CO 0.00 -0.19 0.53 1.52 -1.34 0.00 0.00 175.55 176.07 2bbu s TYR 137 N 1.29 -0.43 0.06 4.97 -0.85 -1.26 -0.83 117.35 120.31 2bbu s TYR 137 Ca 0.05 0.39 0.01 0.00 -0.52 0.00 0.00 57.07 57.01 2bbu s TYR 137 Cb -0.15 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.53 2bbu s TYR 137 CO 0.04 -0.69 0.13 0.42 -1.52 0.00 0.00 175.55 173.92 2bbu s ILE 138 N -2.86 4.87 -0.01 -3.49 1.01 0.15 -4.78 121.20 116.09 2bbu s ILE 138 Ca -0.03 -0.58 -0.24 0.00 0.00 0.00 0.00 60.65 59.79 2bbu s ILE 138 Cb -0.00 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 2bbu s ILE 138 CO -0.05 0.16 0.75 -0.31 0.00 0.00 0.00 174.94 175.49 2bbu s TYR 139 N -1.41 3.65 -1.12 3.97 1.51 -1.26 -0.82 117.35 121.87 2bbu s TYR 139 Ca 0.30 1.38 -0.03 0.00 -1.01 0.00 0.00 57.07 57.71 2bbu s TYR 139 Cb -0.12 -2.83 0.22 0.00 -0.11 0.00 0.00 41.96 39.12 2bbu s TYR 139 CO 0.23 0.17 2.13 0.45 -1.11 0.00 0.00 175.55 177.42 2bbu n SER 140 N 3.35 7.64 -3.32 2.29 2.88 0.74 -4.73 113.62 122.48 2bbu n SER 140 Ca -0.01 -3.43 -0.16 0.00 -1.33 0.00 0.00 58.87 53.93 2bbu n SER 140 Cb 0.51 -1.25 0.08 0.00 -0.75 0.00 0.00 64.21 62.80 2bbu n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bbu n GLY 141 N 0.75 -0.67 0.27 0.46 0.00 -1.26 -2.89 105.19 101.85 2bbu n GLY 141 Ca 0.54 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.85 2bbu n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbu n GLY 142 N -1.17 0.59 3.15 -0.02 0.00 -1.26 -5.06 105.19 101.42 2bbu n GLY 142 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2bbu n GLY 142 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bbu s GLU 143 N -0.91 3.01 -0.13 1.61 0.41 -1.14 -5.08 118.70 116.47 2bbu s GLU 143 Ca 0.00 -0.85 -0.29 0.00 -0.41 0.00 0.00 54.97 53.42 2bbu s GLU 143 Cb 0.00 -2.47 -0.03 0.00 -1.78 0.00 0.00 34.13 29.84 2bbu s GLU 143 CO 0.00 -0.07 1.48 0.15 -0.49 0.00 0.00 175.26 176.33 2bbu s LYS 144 N 0.96 4.14 -0.23 1.61 1.02 -1.26 0.26 119.74 126.24 2bbu s LYS 144 Ca -0.03 1.88 0.01 0.00 0.02 0.00 0.00 55.97 57.84 2bbu s LYS 144 Cb -0.15 -3.90 0.03 0.00 -0.52 0.00 0.00 37.83 33.29 2bbu s LYS 144 CO -0.05 -0.86 -0.12 0.42 -0.92 0.00 0.00 175.35 173.81 2bbu s ILE 145 N 4.00 2.38 0.02 2.17 1.09 0.00 -4.87 121.20 125.99 2bbu s ILE 145 Ca 0.65 -1.18 -0.30 0.00 -1.10 0.00 0.00 60.65 58.72 2bbu s ILE 145 Cb -0.27 -2.20 -0.06 0.00 -1.06 0.00 0.00 42.46 38.87 2bbu s ILE 145 CO 0.23 0.25 1.46 -2.16 -0.10 0.00 0.00 174.94 174.62 2bbu s PRO 146 N 1.24 4.26 -0.30 2.79 0.04 -1.26 0.33 135.00 142.11 2bbu s PRO 146 Ca -0.01 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.09 2bbu s PRO 146 Cb -0.16 -3.57 0.09 0.00 0.04 0.00 0.00 34.50 30.90 2bbu s PRO 146 CO -0.08 -0.61 0.06 -0.48 0.04 0.00 0.00 177.00 175.93 2bbu s LEU 147 N 2.43 3.10 -0.29 -3.56 0.05 -0.01 -4.82 118.68 115.59 2bbu s LEU 147 Ca 0.66 -1.71 -0.10 0.00 0.05 0.00 0.00 54.13 53.03 2bbu s LEU 147 Cb -0.33 -1.16 -0.03 0.00 -2.05 0.00 0.00 46.19 42.61 2bbu s LEU 147 CO 0.28 -0.37 0.16 0.54 -0.55 0.00 0.00 176.35 176.40 2bbu s VAL 148 N 1.35 4.91 -0.31 1.48 0.11 -1.25 -4.01 120.40 122.67 2bbu s VAL 148 Ca 0.07 -0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 58.75 2bbu s VAL 148 Cb -0.18 -3.38 0.01 0.00 -1.53 0.00 0.00 36.38 31.29 2bbu s VAL 148 CO -0.16 0.21 1.26 -0.76 -3.33 0.00 0.00 175.10 172.32 2bbu s LEU 149 N 1.69 3.87 -0.05 2.54 1.02 -1.26 -4.83 118.68 121.66 2bbu s LEU 149 Ca 0.06 1.14 0.04 0.00 0.02 0.00 0.00 54.13 55.39 2bbu s LEU 149 Cb -0.16 -3.54 -0.06 0.00 0.02 0.00 0.00 46.19 42.45 2bbu s LEU 149 CO 0.08 -1.07 0.02 -0.24 0.02 0.00 0.00 176.35 175.16 2bbu n SER 150 N 7.54 3.78 -4.67 2.29 2.88 -1.26 -4.75 113.62 119.43 2bbu n SER 150 Ca 0.14 -0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.27 2bbu n SER 150 Cb 0.47 0.60 -0.05 0.00 -0.75 0.00 0.00 64.21 64.49 2bbu n SER 150 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2bbu s ARG 151 N -2.12 4.30 0.28 -1.46 3.00 -1.11 -5.03 118.95 116.81 2bbu s ARG 151 Ca -0.03 0.90 -0.29 0.00 -1.00 0.00 0.00 55.73 55.32 2bbu s ARG 151 Cb 0.01 -3.56 -0.09 0.00 0.00 0.00 0.00 34.95 31.31 2bbu s ARG 151 CO 0.20 -0.25 0.99 -1.25 0.00 0.00 0.00 175.30 174.99 2bbu s PRO 152 N 1.90 4.70 0.85 5.12 0.04 -1.26 -3.13 135.00 143.22 2bbu s PRO 152 Ca 0.36 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 2bbu s PRO 152 Cb -0.17 -3.13 0.11 0.00 0.04 0.00 0.00 34.50 31.35 2bbu s PRO 152 CO 0.13 0.35 1.17 -0.48 0.04 0.00 0.00 177.00 178.20 2bbu s LEU 153 N -1.49 3.01 -0.42 -3.56 -0.00 -1.23 -4.85 118.68 110.13 2bbu s LEU 153 Ca 0.45 2.23 0.02 0.00 -0.00 0.00 0.00 54.13 56.82 2bbu s LEU 153 Cb -0.26 -4.57 0.12 0.00 -0.00 0.00 0.00 46.19 41.48 2bbu s LEU 153 CO 0.33 -2.78 0.19 -0.44 -0.00 0.00 0.00 176.35 173.65 2bbu s SER 154 N -2.51 3.99 -0.33 1.48 0.01 -1.26 -4.94 113.70 110.13 2bbu s SER 154 Ca 0.69 -2.47 0.07 0.00 1.31 0.00 0.00 55.95 55.54 2bbu s SER 154 Cb -0.25 -1.20 0.48 0.00 0.21 0.00 0.00 66.02 65.26 2bbu s SER 154 CO 0.54 -0.30 1.43 -0.24 0.41 0.00 0.00 173.24 175.08 2bbu n SER 155 N 3.77 3.77 0.00 2.44 2.88 -1.26 -5.12 113.62 120.09 2bbu n SER 155 Ca 0.05 -3.80 0.00 0.00 -1.33 0.00 0.00 58.87 53.80 2bbu n SER 155 Cb 0.36 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 63.24 2bbu n SER 155 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61