#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 0.48 -1.00 -0.32 -0.00 -2.00 -0.57 116.97 113.56 2bbu h TYR 2 Ca 0.00 0.03 0.11 0.00 0.00 0.00 0.00 58.73 58.87 2bbu h TYR 2 Cb 0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 36.73 36.52 2bbu h TYR 2 CO 0.00 0.17 0.63 0.37 -0.00 0.00 0.00 178.16 179.33 2bbu h GLN 3 N 0.49 0.98 -0.22 0.10 -0.00 -1.98 0.30 115.11 114.78 2bbu h GLN 3 Ca 0.30 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.87 2bbu h GLN 3 Cb 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 27.48 27.56 2bbu h GLN 3 CO -0.26 0.65 0.07 -0.07 0.00 0.00 0.00 178.83 179.22 2bbu h LEU 4 N 1.00 0.31 -0.11 -2.39 3.38 -1.56 0.89 115.31 116.84 2bbu h LEU 4 Ca 0.49 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 2bbu h LEU 4 Cb 0.46 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2bbu h LEU 4 CO -0.25 0.42 0.01 0.58 0.09 0.00 0.00 178.44 179.28 2bbu h VAL 5 N 0.19 1.24 -0.30 1.22 2.07 -0.64 -2.48 116.25 117.54 2bbu h VAL 5 Ca 0.07 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.84 2bbu h VAL 5 Cb 0.21 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2bbu h VAL 5 CO -0.00 0.22 0.18 0.58 0.02 0.00 0.00 177.57 178.57 2bbu h VAL 6 N -0.08 1.05 -0.10 2.57 2.07 -0.38 -1.24 116.25 120.14 2bbu h VAL 6 Ca 0.03 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2bbu h VAL 6 Cb 0.33 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 2bbu h VAL 6 CO 0.00 0.07 0.09 0.78 0.02 0.00 0.00 177.57 178.53 2bbu h ASN 7 N 0.38 0.00 -0.07 0.57 -0.26 -0.78 -1.84 115.58 113.59 2bbu h ASN 7 Ca 0.12 0.00 -0.14 0.00 -0.56 0.00 0.00 56.30 55.72 2bbu h ASN 7 Cb -0.02 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.25 2bbu h ASN 7 CO -0.04 0.00 -0.50 0.00 -1.06 0.00 0.00 177.43 175.82 2bbu h ALA 8 N 1.93 0.15 -0.99 -0.83 0.00 -0.78 -3.17 119.26 115.57 2bbu h ALA 8 Ca 0.05 -0.51 0.06 0.00 0.00 0.00 0.00 54.91 54.51 2bbu h ALA 8 Cb 0.22 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 2bbu h ALA 8 CO -0.00 0.34 0.64 0.28 0.00 0.00 0.00 179.25 180.51 2bbu h VAL 9 N 0.01 1.09 -0.26 0.00 2.07 -0.55 1.20 116.25 119.80 2bbu h VAL 9 Ca -0.04 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.12 2bbu h VAL 9 Cb 1.17 -0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 2bbu h VAL 9 CO 0.10 0.21 -0.01 -0.09 0.02 0.00 0.00 177.57 177.81 2bbu h ARG 10 N 1.16 0.07 0.10 1.57 2.43 -1.44 1.63 114.38 119.90 2bbu h ARG 10 Ca 0.42 -0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.32 2bbu h ARG 10 Cb 0.17 -0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2bbu h ARG 10 CO -0.17 0.05 -1.17 -0.22 -1.51 0.00 0.00 179.97 176.95 2bbu h LYS 11 N 0.07 0.37 -0.33 0.20 3.64 -1.33 -2.81 116.57 116.39 2bbu h LYS 11 Ca 0.12 -0.53 -0.12 0.00 -1.27 0.00 0.00 60.65 58.84 2bbu h LYS 11 Cb 0.16 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2bbu h LYS 11 CO -0.21 1.22 -0.28 1.25 -2.27 0.00 0.00 179.45 179.15 2bbu h LEU 12 N 0.15 0.81 -0.91 5.20 5.85 0.18 -3.08 115.31 123.51 2bbu h LEU 12 Ca -0.13 -0.46 -0.10 0.00 0.84 0.00 0.00 57.88 58.03 2bbu h LEU 12 Cb 1.86 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 2bbu h LEU 12 CO 0.20 1.10 -0.31 0.06 -0.34 0.00 0.00 178.44 179.15 2bbu h GLN 13 N 0.54 0.43 -0.08 1.25 3.07 0.23 -2.56 115.11 117.99 2bbu h GLN 13 Ca 0.06 -0.18 0.02 0.00 0.09 0.00 0.00 58.65 58.64 2bbu h GLN 13 Cb 0.85 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.39 2bbu h GLN 13 CO 0.07 0.70 0.12 1.49 0.09 0.00 0.00 178.83 181.30 2bbu h GLU 14 N 0.37 0.00 0.00 0.06 4.81 -1.40 0.08 114.58 118.50 2bbu h GLU 14 Ca 0.05 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 2bbu h GLU 14 Cb 0.74 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 2bbu h GLU 14 CO 0.06 0.00 -0.37 1.03 -0.73 0.00 0.00 179.01 179.00 2bbu h SER 15 N 0.00 0.00 0.00 1.04 0.87 -1.49 -3.46 113.55 110.51 2bbu h SER 15 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2bbu h SER 15 Cb 0.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2bbu h SER 15 CO -0.00 0.37 0.00 0.61 -0.53 0.00 0.00 176.83 177.28 2bbu n GLY 16 N 0.01 1.66 0.02 5.77 0.00 0.01 -4.88 105.19 107.78 2bbu n GLY 16 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2bbu n GLY 16 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2bbu n PHE 17 N -2.00 0.13 -3.30 1.61 -0.00 -1.26 -4.59 117.46 108.05 2bbu n PHE 17 Ca 0.00 0.04 -0.39 0.00 -0.00 0.00 0.00 57.45 57.10 2bbu n PHE 17 Cb 0.00 -0.57 -0.08 0.00 -0.00 0.00 0.00 39.48 38.84 2bbu n PHE 17 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 2bbu s TYR 18 N -3.02 3.28 -0.42 -5.13 6.14 -1.26 -4.39 117.35 112.56 2bbu s TYR 18 Ca 0.11 0.59 -0.06 0.00 0.64 0.00 0.00 57.07 58.36 2bbu s TYR 18 Cb 0.15 -2.65 0.10 0.00 0.42 0.00 0.00 41.96 39.98 2bbu s TYR 18 CO 0.46 -0.22 0.23 -1.58 0.64 0.00 0.00 175.55 175.09 2bbu s TRP 19 N 2.05 3.47 -0.45 4.97 0.52 -1.25 -4.94 118.94 123.32 2bbu s TRP 19 Ca 0.20 -2.05 -0.20 0.00 0.02 0.00 0.00 56.10 54.06 2bbu s TRP 19 Cb -0.16 -3.15 0.03 0.00 -1.15 0.00 0.00 33.47 29.05 2bbu s TRP 19 CO 0.09 -0.94 0.64 -1.12 0.02 0.00 0.00 176.95 175.65 2bbu s SER 20 N 2.06 6.30 0.00 2.95 0.01 -1.26 -4.37 113.70 119.39 2bbu s SER 20 Ca 0.05 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2bbu s SER 20 Cb -0.23 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.68 2bbu s SER 20 CO -0.02 -0.81 0.00 0.00 0.41 0.00 0.00 173.24 172.82 2bbu n ALA 21 N 6.27 0.00 -2.44 1.44 0.00 -1.26 -5.06 120.51 119.46 2bbu n ALA 21 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2bbu n ALA 21 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 0.00 0.00 -2.98 0.00 0.24 -1.26 -5.09 118.33 109.24 2bbu n VAL 22 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 2bbu n VAL 22 Cb 0.00 -0.55 0.05 0.00 -1.47 0.00 0.00 33.84 31.87 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 1.57 2.36 0.00 3.34 2.01 -1.26 -4.78 115.64 118.88 2bbu s THR 23 Ca 0.00 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.04 2bbu s THR 23 Cb 0.00 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 70.11 2bbu s THR 23 CO 0.00 0.00 0.59 0.61 -0.69 0.00 0.00 174.62 175.13 2bbu n GLY 24 N -2.20 -3.24 0.11 4.40 0.00 -1.26 -0.62 105.19 102.38 2bbu n GLY 24 Ca 0.14 0.39 -0.14 0.00 0.00 0.00 0.00 46.02 46.40 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 0.30 1.89 -0.02 0.00 -1.96 -3.24 103.07 100.03 2bbu h GLY 25 Ca 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 47.33 46.64 2bbu h GLY 25 CO 0.00 0.62 0.05 0.83 0.00 0.00 0.00 176.54 178.03 2bbu h GLU 26 N 0.09 0.02 -0.11 4.80 5.08 -1.96 0.14 114.58 122.64 2bbu h GLU 26 Ca -0.11 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2bbu h GLU 26 Cb 1.88 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.12 2bbu h GLU 26 CO 0.19 0.01 -0.10 0.00 -1.00 0.00 0.00 179.01 178.11 2bbu h ALA 27 N 1.97 0.16 -0.38 3.43 0.00 -0.89 -2.49 119.26 121.05 2bbu h ALA 27 Ca 0.03 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2bbu h ALA 27 Cb 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2bbu h ALA 27 CO -0.00 -0.01 -0.15 -0.91 0.00 0.00 0.00 179.25 178.18 2bbu h ASN 28 N -0.14 0.79 -0.27 0.00 2.35 -1.45 -2.98 115.58 113.89 2bbu h ASN 28 Ca 0.02 -0.39 0.02 0.00 -0.55 0.00 0.00 56.30 55.40 2bbu h ASN 28 Cb 0.61 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 2bbu h ASN 28 CO 0.03 1.00 0.18 -0.07 -1.65 0.00 0.00 177.43 176.92 2bbu h LEU 29 N 0.58 0.23 -2.19 1.61 4.07 -0.76 -1.33 115.31 117.51 2bbu h LEU 29 Ca 0.09 -0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.10 2bbu h LEU 29 Cb 0.69 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 2bbu h LEU 29 CO 0.05 0.16 0.27 0.17 -1.08 0.00 0.00 178.44 178.00 2bbu h LEU 30 N 0.26 0.00 -1.17 1.67 8.10 -1.27 0.18 115.31 123.08 2bbu h LEU 30 Ca 0.11 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.08 2bbu h LEU 30 Cb 0.11 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.30 2bbu h LEU 30 CO -0.02 0.00 0.30 0.17 -4.11 0.00 0.00 178.44 174.78 2bbu h LEU 31 N 0.00 0.79 -0.89 0.17 8.10 -1.38 -0.84 115.31 121.25 2bbu h LEU 31 Ca 0.08 -0.08 -0.11 0.00 0.11 0.00 0.00 57.88 57.88 2bbu h LEU 31 Cb 0.62 -0.20 -0.01 0.00 -0.44 0.00 0.00 40.66 40.62 2bbu h LEU 31 CO -0.00 0.67 -0.45 0.77 -4.11 0.00 0.00 178.44 175.32 2bbu h SER 32 N 0.88 0.23 1.92 0.17 4.64 -0.81 -0.59 113.55 119.99 2bbu h SER 32 Ca 0.22 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 2bbu h SER 32 Cb 0.09 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2bbu h SER 32 CO -0.03 0.66 -0.08 0.00 -0.87 0.00 0.00 176.83 176.51 2bbu h ALA 33 N 1.35 0.95 -2.94 5.18 0.00 -1.26 -3.39 119.26 119.15 2bbu h ALA 33 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bbu h ALA 33 Cb 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2bbu h ALA 33 CO 0.07 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.79 2bbu n GLU 34 N -3.11 0.00 -1.47 0.00 -0.58 -0.41 -4.87 120.64 110.21 2bbu n GLU 34 Ca 0.04 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.35 2bbu n GLU 34 Cb 0.56 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.40 2bbu n GLU 34 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2bbu n PRO 35 N -1.03 2.28 -1.58 3.49 -0.04 -0.26 -4.95 135.00 132.92 2bbu n PRO 35 Ca 0.00 -2.26 -0.44 0.00 -0.04 0.00 0.00 63.50 60.76 2bbu n PRO 35 Cb 0.00 -3.12 -0.01 0.00 -0.04 0.00 0.00 33.50 30.34 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 6.63 -0.33 -1.56 0.55 0.00 -1.02 -0.97 120.51 123.81 2bbu n ALA 36 Ca 0.51 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 54.19 2bbu n ALA 36 Cb 0.39 -2.00 -0.03 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 1.28 0.74 3.14 0.00 0.00 -1.26 -5.01 105.19 104.10 2bbu n GLY 37 Ca 0.10 -0.57 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.39 1.04 0.00 2.61 2.01 -0.14 -4.56 115.64 114.22 2bbu s THR 38 Ca 0.00 -1.13 0.07 0.00 0.31 0.00 0.00 61.69 60.95 2bbu s THR 38 Cb 0.00 -0.99 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 2bbu s THR 38 CO 0.00 -0.13 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.21 2bbu s PHE 39 N -1.07 2.02 0.10 4.92 0.08 -1.19 -4.43 117.98 118.41 2bbu s PHE 39 Ca -0.01 -0.38 0.02 0.00 0.12 0.00 0.00 56.93 56.67 2bbu s PHE 39 Cb -0.09 -1.27 -0.04 0.00 -0.57 0.00 0.00 43.02 41.05 2bbu s PHE 39 CO 0.02 0.01 -0.07 -1.17 -0.10 0.00 0.00 175.22 173.91 2bbu s LEU 40 N -0.75 2.50 -0.06 -0.37 0.20 -1.24 -4.29 118.68 114.68 2bbu s LEU 40 Ca 0.09 -0.98 0.04 0.00 0.69 0.00 0.00 54.13 53.96 2bbu s LEU 40 Cb -0.09 -0.10 -0.02 0.00 -0.43 0.00 0.00 46.19 45.55 2bbu s LEU 40 CO 0.00 -0.44 -0.16 -0.51 -0.29 0.00 0.00 176.35 174.95 2bbu s ILE 41 N -3.49 2.90 0.28 6.68 2.07 -1.26 -3.14 121.20 125.23 2bbu s ILE 41 Ca 0.11 -0.77 0.09 0.00 -1.41 0.00 0.00 60.65 58.67 2bbu s ILE 41 Cb 0.04 -2.13 -0.04 0.00 0.13 0.00 0.00 42.46 40.46 2bbu s ILE 41 CO -0.04 0.58 0.01 -0.60 -1.91 0.00 0.00 174.94 172.98 2bbu s ARG 42 N -0.56 2.31 -0.54 3.50 3.00 -0.29 -3.77 118.95 122.59 2bbu s ARG 42 Ca 0.08 -1.44 -0.25 0.00 -1.00 0.00 0.00 55.73 53.12 2bbu s ARG 42 Cb -0.11 -2.16 0.04 0.00 0.00 0.00 0.00 34.95 32.71 2bbu s ARG 42 CO 0.01 0.33 0.97 0.34 0.00 0.00 0.00 175.30 176.95 2bbu s ASP 43 N -3.70 6.38 0.41 -2.12 -1.08 -1.26 -1.14 116.67 114.15 2bbu s ASP 43 Ca 0.32 -0.23 -0.22 0.00 -0.52 0.00 0.00 52.55 51.90 2bbu s ASP 43 Cb -0.06 -2.45 -0.14 0.00 -1.46 0.00 0.00 42.92 38.82 2bbu s ASP 43 CO 0.20 -1.23 0.43 -0.24 0.52 0.00 0.00 175.17 174.85 2bbu n SER 44 N 7.53 -1.41 -2.06 -0.34 2.88 0.35 -4.88 113.62 115.68 2bbu n SER 44 Ca 0.03 0.89 0.00 0.00 -1.33 0.00 0.00 58.87 58.46 2bbu n SER 44 Cb 0.48 -1.05 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 2bbu n SER 44 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2bbu n SER 45 N 1.58 0.00 0.00 -3.46 2.88 -1.26 -3.89 113.62 109.47 2bbu n SER 45 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2bbu n SER 45 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 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 0.00 0.00 0.00 -3.46 2.03 -1.26 -1.94 116.55 111.92 2bbu n ASP 46 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 2bbu n ASP 46 Cb 0.00 0.00 0.26 0.00 -0.72 0.00 0.00 41.12 40.66 2bbu n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bbu n GLN 47 N 13.27 0.13 -1.28 -0.67 6.02 -1.26 -4.80 117.38 128.78 2bbu n GLN 47 Ca 0.00 0.21 -0.10 0.00 -0.01 0.00 0.00 57.00 57.10 2bbu n GLN 47 Cb 0.00 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.72 2bbu n GLN 47 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2bbu n ARG 48 N -1.32 -0.76 -1.41 -1.09 0.63 -0.82 -4.89 116.66 107.00 2bbu n ARG 48 Ca 0.05 0.82 -0.33 0.00 -0.92 0.00 0.00 57.85 57.47 2bbu n ARG 48 Cb 0.09 -4.76 0.08 0.00 0.45 0.00 0.00 32.46 28.32 2bbu n ARG 48 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2bbu n HIS 49 N -2.68 3.15 -3.56 -0.14 8.25 -1.26 -4.88 115.22 114.09 2bbu n HIS 49 Ca -0.10 -2.87 -0.14 0.00 -0.26 0.00 0.00 57.72 54.35 2bbu n HIS 49 Cb 0.34 -1.28 -0.06 0.00 1.12 0.00 0.00 29.99 30.11 2bbu n HIS 49 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2bbu s PHE 50 N -3.77 -0.57 0.04 4.41 5.36 -1.26 -4.67 117.98 117.52 2bbu s PHE 50 Ca 0.63 1.08 0.04 0.00 -0.96 0.00 0.00 56.93 57.71 2bbu s PHE 50 Cb 0.49 0.40 -0.02 0.00 -0.34 0.00 0.00 43.02 43.55 2bbu s PHE 50 CO 0.00 -0.46 -0.12 -0.59 -1.46 0.00 0.00 175.22 172.60 2bbu s PHE 51 N -0.82 1.02 -0.00 10.12 -0.12 -1.26 0.13 117.98 127.04 2bbu s PHE 51 Ca -0.05 -0.37 0.06 0.00 -0.05 0.00 0.00 56.93 56.51 2bbu s PHE 51 Cb -0.01 -0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 41.76 2bbu s PHE 51 CO 0.05 0.01 -0.18 0.99 -0.05 0.00 0.00 175.22 176.03 2bbu s THR 52 N -0.95 1.44 0.06 -4.49 2.01 -0.29 -4.43 115.64 108.98 2bbu s THR 52 Ca -0.02 -0.84 0.09 0.00 0.31 0.00 0.00 61.69 61.24 2bbu s THR 52 Cb -0.08 -1.21 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 2bbu s THR 52 CO 0.01 0.36 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.83 2bbu s LEU 53 N -0.55 2.19 0.04 4.42 0.20 -0.22 -1.14 118.68 123.62 2bbu s LEU 53 Ca 0.07 -0.60 0.00 0.00 0.69 0.00 0.00 54.13 54.29 2bbu s LEU 53 Cb -0.07 -1.21 -0.03 0.00 -0.43 0.00 0.00 46.19 44.44 2bbu s LEU 53 CO -0.00 0.23 -0.04 -0.94 -0.29 0.00 0.00 176.35 175.30 2bbu s SER 54 N -1.35 0.46 0.45 3.68 1.04 -1.19 0.11 113.70 116.90 2bbu s SER 54 Ca 0.11 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 55.88 2bbu s SER 54 Cb -0.10 0.12 -0.05 0.00 0.10 0.00 0.00 66.02 66.10 2bbu s SER 54 CO 0.03 -0.39 0.02 0.68 0.98 0.00 0.00 173.24 174.55 2bbu s VAL 55 N -2.37 1.48 -0.06 5.02 -7.23 -0.86 -3.62 120.40 112.75 2bbu s VAL 55 Ca -0.06 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.13 2bbu s VAL 55 Cb -0.03 -2.58 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 2bbu s VAL 55 CO -0.04 0.00 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.89 2bbu s LYS 56 N -3.80 2.68 0.33 4.82 2.20 -1.26 -3.20 119.74 121.52 2bbu s LYS 56 Ca 0.22 -0.63 -0.10 0.00 -0.36 0.00 0.00 55.97 55.10 2bbu s LYS 56 Cb 0.06 -2.50 0.02 0.00 -1.51 0.00 0.00 37.83 33.90 2bbu s LYS 56 CO 0.11 0.61 0.58 -0.08 -0.36 0.00 0.00 175.35 176.21 2bbu s THR 57 N -0.68 0.00 -2.00 3.43 -1.32 -1.26 -4.84 115.64 108.96 2bbu s THR 57 Ca 0.10 -1.34 0.17 0.00 -1.21 0.00 0.00 61.69 59.41 2bbu s THR 57 Cb -0.11 -2.56 0.48 0.00 -1.51 0.00 0.00 72.50 68.80 2bbu s THR 57 CO 0.01 0.00 1.65 1.67 -2.21 0.00 0.00 174.62 175.74 2bbu n GLN 58 N -0.50 1.00 -0.00 7.08 0.00 -1.26 -3.05 117.38 120.64 2bbu n GLN 58 Ca -0.03 0.00 0.05 0.00 -0.00 0.00 0.00 57.00 57.02 2bbu n GLN 58 Cb 0.61 -1.26 -0.06 0.00 0.00 0.00 0.00 30.24 29.52 2bbu n GLN 58 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2bbu n SER 59 N -0.76 1.26 0.00 1.69 7.64 -1.26 -5.09 113.62 117.09 2bbu n SER 59 Ca 0.13 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.54 2bbu n SER 59 Cb 0.06 1.15 0.00 0.00 -1.01 0.00 0.00 64.21 64.41 2bbu n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bbu n GLY 60 N 1.48 4.09 3.72 0.23 0.00 -1.17 -5.07 105.19 108.46 2bbu n GLY 60 Ca 0.01 -1.47 -0.42 0.00 0.00 0.00 0.00 46.02 44.14 2bbu n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbu s THR 61 N -2.01 4.70 0.07 2.61 2.01 -1.26 -4.16 115.64 117.60 2bbu s THR 61 Ca 0.00 2.06 0.09 0.00 0.31 0.00 0.00 61.69 64.15 2bbu s THR 61 Cb 0.00 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 2bbu s THR 61 CO 0.00 0.23 -0.24 -0.75 -0.69 0.00 0.00 174.62 173.17 2bbu s LYS 62 N 0.56 1.47 0.05 4.92 2.20 -1.19 -4.94 119.74 122.81 2bbu s LYS 62 Ca 0.50 -1.11 0.07 0.00 -0.36 0.00 0.00 55.97 55.07 2bbu s LYS 62 Cb -0.22 -1.71 -0.03 0.00 -1.51 0.00 0.00 37.83 34.36 2bbu s LYS 62 CO 0.29 0.43 -0.17 1.21 -0.36 0.00 0.00 175.35 176.74 2bbu s ASN 63 N -1.49 3.87 0.04 1.43 3.04 -1.26 -2.03 114.94 118.55 2bbu s ASN 63 Ca 0.10 -0.42 0.01 0.00 0.04 0.00 0.00 52.86 52.58 2bbu s ASN 63 Cb -0.10 -0.64 -0.03 0.00 -1.54 0.00 0.00 41.25 38.95 2bbu s ASN 63 CO 0.03 0.25 -0.05 -0.76 -3.04 0.00 0.00 177.10 173.53 2bbu s LEU 64 N -1.53 2.32 0.20 3.21 1.43 0.29 -4.93 118.68 119.67 2bbu s LEU 64 Ca 0.15 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.68 2bbu s LEU 64 Cb -0.11 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.08 2bbu s LEU 64 CO 0.06 -0.34 -0.15 0.00 0.23 0.00 0.00 176.35 176.16 2bbu s ARG 65 N -2.16 1.33 0.29 1.70 1.70 -1.26 -1.05 118.95 119.49 2bbu s ARG 65 Ca -0.07 -1.58 -0.15 0.00 -0.47 0.00 0.00 55.73 53.46 2bbu s ARG 65 Cb -0.05 -1.13 -0.09 0.00 -0.57 0.00 0.00 34.95 33.11 2bbu s ARG 65 CO -0.02 0.19 0.70 -1.50 -1.08 0.00 0.00 175.30 173.59 2bbu s ILE 66 N -2.93 4.70 -0.14 4.99 1.10 -1.26 -4.71 121.20 122.95 2bbu s ILE 66 Ca 0.22 0.93 -0.01 0.00 -0.51 0.00 0.00 60.65 61.28 2bbu s ILE 66 Cb -0.01 -3.65 -0.02 0.00 0.15 0.00 0.00 42.46 38.94 2bbu s ILE 66 CO 0.07 -0.11 -0.11 -1.10 -2.11 0.00 0.00 174.94 171.58 2bbu s GLN 67 N -2.80 3.43 -0.26 3.50 -1.52 0.50 -4.94 119.66 117.57 2bbu s GLN 67 Ca 0.51 -0.66 -0.22 0.00 -1.95 0.00 0.00 55.36 53.05 2bbu s GLN 67 Cb -0.11 -2.70 -0.01 0.00 -0.22 0.00 0.00 33.01 29.96 2bbu s GLN 67 CO 0.18 0.19 0.70 0.00 -0.25 0.00 0.00 175.29 176.11 2bbu s GLU 69 N 2.65 2.44 0.76 0.00 -6.30 0.20 -4.91 118.70 113.52 2bbu s GLU 69 Ca 0.29 -1.58 0.00 0.00 -2.50 0.00 0.00 54.97 51.18 2bbu s GLU 69 Cb -0.15 -3.72 0.00 0.00 0.00 0.00 0.00 34.13 30.25 2bbu s GLU 69 CO 0.09 -1.00 0.00 0.41 0.02 0.00 0.00 175.26 174.77 2bbu n GLY 70 N 4.82 0.25 0.65 -1.50 0.00 -1.26 -0.20 105.19 107.95 2bbu n GLY 70 Ca -0.08 0.69 0.02 0.00 0.00 0.00 0.00 46.02 46.65 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 0.00 0.98 3.38 -0.02 0.00 -1.26 -4.64 105.19 103.64 2bbu n GLY 71 Ca 0.00 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 2bbu n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bbu s SER 72 N -1.35 3.03 -0.13 1.61 1.04 0.72 -2.39 113.70 116.22 2bbu s SER 72 Ca 0.09 -0.92 -0.02 0.00 0.48 0.00 0.00 55.95 55.58 2bbu s SER 72 Cb 0.10 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 2bbu s SER 72 CO -0.03 -0.01 -0.07 0.12 0.98 0.00 0.00 173.24 174.23 2bbu s PHE 73 N -2.21 2.94 -0.09 5.02 5.36 -1.26 -0.63 117.98 127.10 2bbu s PHE 73 Ca 0.21 -0.36 -0.23 0.00 -0.96 0.00 0.00 56.93 55.59 2bbu s PHE 73 Cb -0.05 -1.88 0.05 0.00 -0.34 0.00 0.00 43.02 40.80 2bbu s PHE 73 CO 0.09 -0.04 0.54 0.45 -1.46 0.00 0.00 175.22 174.81 2bbu s SER 74 N 0.17 -0.51 0.00 6.13 0.15 -0.62 -4.81 113.70 114.21 2bbu s SER 74 Ca -0.04 0.68 0.21 0.00 0.70 0.00 0.00 55.95 57.50 2bbu s SER 74 Cb -0.14 0.67 1.25 0.00 -1.71 0.00 0.00 66.02 66.09 2bbu s SER 74 CO 0.04 -0.44 1.71 -0.11 1.20 0.00 0.00 173.24 175.64 2bbu n LEU 75 N 1.59 0.00 0.00 3.45 0.00 -1.26 0.19 117.00 120.97 2bbu n LEU 75 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.83 2bbu n LEU 75 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.98 2bbu n LEU 75 CO 0.18 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.57 2bbu n GLN 76 N -0.89 0.00 0.00 1.96 1.13 -1.26 -4.65 117.38 113.67 2bbu n GLN 76 Ca 0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 2bbu n GLN 76 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.42 2bbu n GLN 76 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2bbu n SER 77 N 0.00 1.15 -4.62 1.08 7.64 -1.26 -4.67 113.62 112.94 2bbu n SER 77 Ca 0.00 -1.33 -0.38 0.00 1.01 0.00 0.00 58.87 58.17 2bbu n SER 77 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2bbu n SER 77 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2bbu s ASP 78 N -0.33 6.14 -0.22 6.43 1.01 -1.26 -4.96 116.67 123.48 2bbu s ASP 78 Ca 0.00 0.14 -0.05 0.00 0.71 0.00 0.00 52.55 53.36 2bbu s ASP 78 Cb 0.00 -2.15 -0.16 0.00 1.01 0.00 0.00 42.92 41.62 2bbu s ASP 78 CO 0.00 -0.05 2.58 -0.81 0.21 0.00 0.00 175.17 177.10 2bbu n PRO 79 N 4.84 1.60 -0.35 8.23 -0.04 -1.26 -4.40 135.00 143.62 2bbu n PRO 79 Ca -0.12 -0.88 0.05 0.00 -0.04 0.00 0.00 63.50 62.50 2bbu n PRO 79 Cb 0.52 -1.98 0.19 0.00 -0.04 0.00 0.00 33.50 32.18 2bbu n PRO 79 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2bbu n ARG 80 N 2.93 2.54 -2.92 0.54 3.00 -1.26 -4.22 116.66 117.27 2bbu n ARG 80 Ca 0.34 -1.51 -0.13 0.00 -0.00 0.00 0.00 57.85 56.56 2bbu n ARG 80 Cb 0.53 -1.65 0.02 0.00 0.00 0.00 0.00 32.46 31.36 2bbu n ARG 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2bbu n SER 81 N 0.43 0.39 -0.59 6.15 2.88 -1.26 -4.90 113.62 116.71 2bbu n SER 81 Ca 0.14 -2.96 0.03 0.00 -1.33 0.00 0.00 58.87 54.75 2bbu n SER 81 Cb 0.57 -0.13 0.11 0.00 -0.75 0.00 0.00 64.21 64.01 2bbu n SER 81 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2bbu n THR 82 N 0.11 0.49 -0.27 2.46 5.66 -1.26 -4.37 114.28 117.10 2bbu n THR 82 Ca 0.15 -0.36 -0.03 0.00 -3.05 0.00 0.00 64.05 60.77 2bbu n THR 82 Cb 0.73 -0.02 0.03 0.00 -1.55 0.00 0.00 70.33 69.52 2bbu n THR 82 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 2bbu h GLN 83 N 1.35 -0.09 0.00 1.09 -0.00 -1.95 -3.40 115.11 112.10 2bbu h GLN 83 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2bbu h GLN 83 Cb 0.52 0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.02 2bbu h GLN 83 CO 0.05 -0.06 0.00 -0.35 0.00 0.00 0.00 178.83 178.47 2bbu n PRO 84 N -5.46 0.48 -3.36 -2.39 -0.04 -1.26 -5.06 135.00 117.91 2bbu n PRO 84 Ca 0.07 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.34 2bbu n PRO 84 Cb 0.38 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.83 2bbu n PRO 84 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2bbu s VAL 85 N -0.30 3.19 0.20 0.52 -7.23 -1.26 -5.05 120.40 110.47 2bbu s VAL 85 Ca 0.00 -1.14 -0.30 0.00 -1.81 0.00 0.00 61.98 58.73 2bbu s VAL 85 Cb 0.00 -3.11 -0.08 0.00 0.56 0.00 0.00 36.38 33.75 2bbu s VAL 85 CO 0.00 -0.05 1.27 -2.16 -0.31 0.00 0.00 175.10 173.84 2bbu s PRO 86 N -4.21 4.43 -0.75 4.82 0.04 -1.26 -2.59 135.00 135.47 2bbu s PRO 86 Ca 0.49 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2bbu s PRO 86 Cb -0.07 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2bbu s PRO 86 CO 0.30 -0.19 0.00 2.89 0.04 0.00 0.00 177.00 180.04 2bbu n ARG 87 N 2.54 -0.52 0.00 4.56 1.85 -1.01 -5.00 116.66 119.08 2bbu n ARG 87 Ca 0.05 0.70 0.00 0.00 -1.00 0.00 0.00 57.85 57.60 2bbu n ARG 87 Cb 0.43 -4.52 0.00 0.00 -1.05 0.00 0.00 32.46 27.32 2bbu n ARG 87 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 2bbu n PHE 88 N -2.96 -0.38 -2.24 2.89 1.16 -1.07 -4.73 117.46 110.14 2bbu n PHE 88 Ca -0.07 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.08 2bbu n PHE 88 Cb 0.29 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.13 2bbu n PHE 88 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2bbu s ASP 89 N -2.07 6.22 0.00 5.98 1.11 -1.26 -4.92 116.67 121.73 2bbu s ASP 89 Ca 0.00 1.02 0.00 0.00 0.18 0.00 0.00 52.55 53.75 2bbu s ASP 89 Cb 0.00 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.45 2bbu s ASP 89 CO 0.00 -1.49 0.00 0.00 1.18 0.00 0.00 175.17 174.86 2bbu h VAL 91 N 0.00 0.13 -0.57 0.00 2.07 -1.93 -2.29 116.25 113.66 2bbu h VAL 91 Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 2bbu h VAL 91 Cb 0.00 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.17 2bbu h VAL 91 CO 0.00 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.71 2bbu h LEU 92 N 0.00 0.16 -0.76 2.57 4.07 -1.91 1.67 115.31 121.11 2bbu h LEU 92 Ca 0.14 0.08 -0.10 0.00 0.08 0.00 0.00 57.88 58.08 2bbu h LEU 92 Cb 1.33 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 43.13 2bbu h LEU 92 CO -0.00 0.11 -0.16 0.50 -1.08 0.00 0.00 178.44 177.80 2bbu h LYS 93 N 0.36 0.78 -0.23 1.13 3.64 -1.16 -2.62 116.57 118.47 2bbu h LYS 93 Ca 0.29 -0.28 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 2bbu h LYS 93 Cb 0.36 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2bbu h LYS 93 CO -0.31 0.89 -0.32 1.25 -2.27 0.00 0.00 179.45 178.68 2bbu h LEU 94 N 0.69 0.50 -1.31 5.20 5.85 -1.01 -2.91 115.31 122.32 2bbu h LEU 94 Ca 0.11 -0.19 0.14 0.00 0.84 0.00 0.00 57.88 58.77 2bbu h LEU 94 Cb 0.66 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 2bbu h LEU 94 CO 0.05 0.80 0.56 1.62 -0.34 0.00 0.00 178.44 181.12 2bbu h VAL 95 N 0.41 0.85 -0.80 1.05 3.04 0.28 0.20 116.25 121.28 2bbu h VAL 95 Ca 0.05 -0.24 0.18 0.00 -1.01 0.00 0.00 66.70 65.68 2bbu h VAL 95 Cb 0.77 0.10 -0.05 0.00 -2.01 0.00 0.00 31.29 30.11 2bbu h VAL 95 CO 0.06 0.13 0.54 -0.74 -1.01 0.00 0.00 177.57 176.55 2bbu h HIS 96 N 0.69 0.41 0.10 3.17 -0.00 -1.50 1.52 115.15 119.54 2bbu h HIS 96 Ca 0.43 0.01 -0.27 0.00 -0.00 0.00 0.00 60.37 60.54 2bbu h HIS 96 Cb 0.68 -0.13 0.01 0.00 -0.00 0.00 0.00 27.41 27.98 2bbu h HIS 96 CO -0.00 0.13 -1.18 1.25 -0.00 0.00 0.00 177.93 178.13 2bbu h HIS 97 N 0.33 0.72 0.00 5.26 6.17 -0.76 -3.22 115.15 123.65 2bbu h HIS 97 Ca 0.40 -0.47 -0.02 0.00 0.71 0.00 0.00 60.37 60.99 2bbu h HIS 97 Cb 1.07 -0.05 -0.00 0.00 2.52 0.00 0.00 27.41 30.94 2bbu h HIS 97 CO -0.00 1.33 -0.11 1.88 0.71 0.00 0.00 177.93 181.73 2bbu h TYR 98 N 0.18 0.00 -2.63 5.26 0.05 -0.24 -3.41 116.97 116.18 2bbu h TYR 98 Ca -0.15 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.64 2bbu h TYR 98 Cb 1.86 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.60 2bbu h TYR 98 CO 0.08 0.11 0.25 -1.33 -1.05 0.00 0.00 178.16 176.23 2bbu n MET 99 N -3.14 0.75 -1.32 4.88 2.81 0.49 -4.67 117.12 116.94 2bbu n MET 99 Ca 0.03 -1.51 -0.30 0.00 -1.81 0.00 0.00 57.70 54.12 2bbu n MET 99 Cb 0.55 1.91 0.20 0.00 -0.71 0.00 0.00 33.22 35.17 2bbu n MET 99 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2bbu s PRO 100 N -2.06 -0.27 0.77 0.03 0.04 -1.26 -3.86 135.00 128.38 2bbu s PRO 100 Ca 0.13 0.02 -0.11 0.00 0.04 0.00 0.00 61.00 61.08 2bbu s PRO 100 Cb -0.03 -1.70 0.05 0.00 0.04 0.00 0.00 34.50 32.86 2bbu s PRO 100 CO 0.08 -3.10 1.08 -1.25 0.04 0.00 0.00 177.00 173.85 2bbu s PRO 101 N -5.40 2.31 0.00 0.56 0.04 -1.26 -4.59 135.00 126.66 2bbu s PRO 101 Ca 0.69 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2bbu s PRO 101 Cb -0.11 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2bbu s PRO 101 CO 0.55 -1.57 0.00 -0.35 0.04 0.00 0.00 177.00 175.67 2bbu n PRO 102 N -3.46 1.36 -1.47 0.56 -0.04 -1.26 -4.93 135.00 125.77 2bbu n PRO 102 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2bbu n PRO 102 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 2bbu n PRO 102 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bbu n GLY 103 N 3.28 -1.72 3.08 0.55 0.00 -1.26 -4.97 105.19 104.16 2bbu n GLY 103 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2bbu n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bbu n THR 104 N -0.24 0.01 0.53 2.61 -2.24 -1.26 -4.79 114.28 108.90 2bbu n THR 104 Ca 0.00 -0.44 0.11 0.00 -2.27 0.00 0.00 64.05 61.45 2bbu n THR 104 Cb 0.00 -0.12 0.45 0.00 -2.10 0.00 0.00 70.33 68.55 2bbu n THR 104 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2bbu n PRO 105 N 1.67 0.14 -1.83 -0.78 -0.04 -1.26 -4.79 135.00 128.11 2bbu n PRO 105 Ca -0.00 0.30 -0.32 0.00 -0.04 0.00 0.00 63.50 63.44 2bbu n PRO 105 Cb 0.55 -1.73 0.03 0.00 -0.04 0.00 0.00 33.50 32.31 2bbu n PRO 105 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2bbu s SER 106 N -3.88 5.69 -0.37 3.54 1.04 -1.26 -5.05 113.70 113.42 2bbu s SER 106 Ca 0.07 1.67 0.06 0.00 0.48 0.00 0.00 55.95 58.23 2bbu s SER 106 Cb 0.11 -2.51 0.19 0.00 0.10 0.00 0.00 66.02 63.91 2bbu s SER 106 CO 0.41 -1.23 0.66 0.12 0.98 0.00 0.00 173.24 174.19 2bbu s PHE 107 N -2.81 -1.63 0.00 5.02 2.19 -1.26 -5.03 117.98 114.46 2bbu s PHE 107 Ca 0.60 0.45 0.00 0.00 0.33 0.00 0.00 56.93 58.31 2bbu s PHE 107 Cb -0.14 0.29 0.00 0.00 -1.31 0.00 0.00 43.02 41.86 2bbu s PHE 107 CO 0.46 -1.06 0.00 0.43 1.83 0.00 0.00 175.22 176.88 2bbu n SER 108 N 4.64 0.00 0.00 6.13 7.64 -1.26 -4.25 113.62 126.51 2bbu n SER 108 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2bbu n SER 108 Cb 0.57 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2bbu n SER 108 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2bbu n LEU 109 N 0.00 0.00 -4.77 -3.43 7.94 -1.26 -5.13 117.00 110.35 2bbu n LEU 109 Ca 0.00 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.51 2bbu n LEU 109 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2bbu n LEU 109 CO 0.00 0.00 0.83 -2.16 -1.11 0.00 0.00 177.39 174.95 2bbu s PRO 110 N 0.00 4.27 -0.82 1.96 0.04 -1.26 -4.93 135.00 134.26 2bbu s PRO 110 Ca 0.00 1.84 -0.25 0.00 0.04 0.00 0.00 61.00 62.63 2bbu s PRO 110 Cb 0.00 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 2bbu s PRO 110 CO 0.00 -0.13 1.75 -1.25 0.04 0.00 0.00 177.00 177.41 2bbu s PRO 111 N -2.02 2.84 0.43 0.56 0.04 -1.26 -4.83 135.00 130.76 2bbu s PRO 111 Ca 0.53 -0.18 0.26 0.00 0.04 0.00 0.00 61.00 61.64 2bbu s PRO 111 Cb -0.31 -4.81 1.30 0.00 0.04 0.00 0.00 34.50 30.71 2bbu s PRO 111 CO 0.40 -2.83 1.70 1.15 0.04 0.00 0.00 177.00 177.46 2bbu h THR 112 N 6.91 0.32 -3.12 1.26 2.02 -1.92 -3.31 112.91 115.08 2bbu h THR 112 Ca -0.03 -0.07 -0.52 0.00 0.77 0.00 0.00 66.41 66.55 2bbu h THR 112 Cb 1.06 0.09 -0.40 0.00 -1.74 0.00 0.00 68.15 67.15 2bbu h THR 112 CO 1.26 0.04 -0.76 -0.70 0.37 0.00 0.00 175.52 175.73 2bbu s GLU 113 N -5.35 0.45 0.56 6.66 2.12 -1.26 -5.13 118.70 116.76 2bbu s GLU 113 Ca -0.08 -0.48 -0.18 0.00 0.36 0.00 0.00 54.97 54.59 2bbu s GLU 113 Cb 0.27 -1.86 -0.05 0.00 0.26 0.00 0.00 34.13 32.76 2bbu s GLU 113 CO 0.81 -0.78 1.07 -1.25 -0.54 0.00 0.00 175.26 174.57 2bbu s PRO 114 N 1.92 3.41 -0.33 4.30 0.04 -1.25 -5.00 135.00 138.09 2bbu s PRO 114 Ca 0.03 1.34 0.12 0.00 0.04 0.00 0.00 61.00 62.53 2bbu s PRO 114 Cb -0.17 -2.04 0.46 0.00 0.04 0.00 0.00 34.50 32.80 2bbu s PRO 114 CO -0.17 -0.76 1.10 0.45 0.04 0.00 0.00 177.00 177.67 2bbu n SER 115 N -1.64 3.44 -2.06 6.66 2.88 -1.26 -5.06 113.62 116.57 2bbu n SER 115 Ca 0.10 -3.16 0.00 0.00 -1.33 0.00 0.00 58.87 54.48 2bbu n SER 115 Cb 0.52 -0.44 0.00 0.00 -0.75 0.00 0.00 64.21 63.54 2bbu n SER 115 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2bbu n SER 116 N -0.49 0.00 -4.53 -3.46 3.41 -1.26 -4.70 113.62 102.58 2bbu n SER 116 Ca 0.28 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.47 2bbu n SER 116 Cb 0.82 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.71 2bbu n SER 116 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2bbu n GLU 117 N 0.00 1.16 -2.91 4.33 0.00 -1.26 -4.80 120.64 117.15 2bbu n GLU 117 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 57.16 57.23 2bbu n GLU 117 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 31.44 28.45 2bbu n GLU 117 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 2bbu n VAL 118 N 7.73 -0.29 -1.42 6.31 0.24 -1.26 -5.14 118.33 124.50 2bbu n VAL 118 Ca 0.39 -1.92 -0.30 0.00 -2.04 0.00 0.00 64.34 60.47 2bbu n VAL 118 Cb 0.40 0.35 0.11 0.00 -1.47 0.00 0.00 33.84 33.24 2bbu n VAL 118 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2bbu s PRO 119 N 0.43 1.71 -0.71 7.34 0.04 -1.26 -4.37 135.00 138.18 2bbu s PRO 119 Ca 0.32 0.68 -0.04 0.00 0.04 0.00 0.00 61.00 61.99 2bbu s PRO 119 Cb 0.10 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.77 2bbu s PRO 119 CO -0.14 -1.89 0.66 0.39 0.04 0.00 0.00 177.00 176.05 2bbu n GLU 120 N -3.62 -1.55 -3.71 4.56 1.02 -1.26 -5.02 120.64 111.06 2bbu n GLU 120 Ca 0.07 1.37 -0.12 0.00 -0.02 0.00 0.00 57.16 58.46 2bbu n GLU 120 Cb 0.56 -4.55 -0.11 0.00 -0.02 0.00 0.00 31.44 27.32 2bbu n GLU 120 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2bbu s GLN 121 N -3.46 0.43 -0.34 3.49 -0.21 -1.26 -5.11 119.66 113.19 2bbu s GLN 121 Ca 0.05 0.69 -0.29 0.00 0.02 0.00 0.00 55.36 55.84 2bbu s GLN 121 Cb -0.01 0.08 -0.00 0.00 1.00 0.00 0.00 33.01 34.08 2bbu s GLN 121 CO 0.80 -0.12 1.47 -1.25 -2.12 0.00 0.00 175.29 174.08 2bbu s PRO 122 N 0.90 3.66 -1.01 2.91 0.04 -1.26 -4.90 135.00 135.34 2bbu s PRO 122 Ca -0.06 1.20 -0.15 0.00 0.04 0.00 0.00 61.00 62.03 2bbu s PRO 122 Cb -0.06 -4.02 -0.09 0.00 0.04 0.00 0.00 34.50 30.38 2bbu s PRO 122 CO -0.07 -1.45 2.11 -0.35 0.04 0.00 0.00 177.00 177.28 2bbu n PRO 123 N 7.87 2.09 -3.87 0.56 -0.04 -1.26 -4.78 135.00 135.57 2bbu n PRO 123 Ca 0.17 -1.93 -0.30 0.00 -0.04 0.00 0.00 63.50 61.40 2bbu n PRO 123 Cb 0.47 -2.87 -0.14 0.00 -0.04 0.00 0.00 33.50 30.92 2bbu n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu s ALA 124 N 4.03 2.80 0.00 0.55 0.00 -1.26 -4.99 121.76 122.88 2bbu s ALA 124 Ca 0.52 -2.90 0.00 0.00 0.00 0.00 0.00 51.96 49.58 2bbu s ALA 124 Cb 0.14 -2.02 0.00 0.00 0.00 0.00 0.00 23.12 21.23 2bbu s ALA 124 CO 0.03 -1.98 0.00 1.04 0.00 0.00 0.00 175.76 174.84 2bbu n GLN 125 N 3.45 0.00 -1.85 0.00 6.02 -1.26 -4.62 117.38 119.12 2bbu n GLN 125 Ca 0.06 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.63 2bbu n GLN 125 Cb 0.34 -0.19 -0.00 0.00 1.02 0.00 0.00 30.24 31.41 2bbu n GLN 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bbu n ALA 126 N -1.28 5.75 -2.73 -1.58 0.00 -1.26 -4.42 120.51 114.99 2bbu n ALA 126 Ca 0.00 -3.96 -0.08 0.00 0.00 0.00 0.00 53.44 49.39 2bbu n ALA 126 Cb 0.00 -3.35 0.09 0.00 0.00 0.00 0.00 19.45 16.19 2bbu n ALA 126 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2bbu n LEU 127 N 5.12 -1.36 -3.13 0.00 7.94 -1.26 -4.99 117.00 119.32 2bbu n LEU 127 Ca 0.52 -3.63 -0.24 0.00 -1.11 0.00 0.00 56.01 51.54 2bbu n LEU 127 Cb 0.36 0.32 -0.03 0.00 0.53 0.00 0.00 43.42 44.60 2bbu n LEU 127 CO 0.87 1.91 2.48 -0.81 -1.11 0.00 0.00 177.39 180.72 2bbu n PRO 128 N -0.27 2.33 -3.32 1.96 -0.04 -1.26 -4.36 135.00 130.04 2bbu n PRO 128 Ca 0.02 -1.54 -0.17 0.00 -0.04 0.00 0.00 63.50 61.78 2bbu n PRO 128 Cb 0.80 -2.47 0.08 0.00 -0.04 0.00 0.00 33.50 31.87 2bbu n PRO 128 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bbu n GLY 129 N 3.65 -0.30 3.01 0.55 0.00 -1.26 -5.00 105.19 105.84 2bbu n GLY 129 Ca 0.50 0.07 -0.04 0.00 0.00 0.00 0.00 46.02 46.54 2bbu n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bbu s SER 130 N -3.99 -0.39 -0.28 1.61 0.01 -1.26 -5.12 113.70 104.28 2bbu s SER 130 Ca 0.13 0.38 0.01 0.00 1.31 0.00 0.00 55.95 57.77 2bbu s SER 130 Cb -0.06 1.52 0.17 0.00 0.21 0.00 0.00 66.02 67.86 2bbu s SER 130 CO 0.65 -0.29 0.48 0.28 0.41 0.00 0.00 173.24 174.77 2bbu s THR 131 N 2.67 -0.79 -1.90 1.44 -1.32 -1.26 -4.83 115.64 109.65 2bbu s THR 131 Ca 0.15 -0.10 0.21 0.00 -1.21 0.00 0.00 61.69 60.74 2bbu s THR 131 Cb -0.15 -0.94 0.56 0.00 -1.51 0.00 0.00 72.50 70.46 2bbu s THR 131 CO -0.20 -0.11 1.64 -0.81 -2.21 0.00 0.00 174.62 172.94 2bbu n PRO 132 N 5.39 0.59 -1.98 7.08 -0.04 -1.26 -4.97 135.00 139.82 2bbu n PRO 132 Ca -0.00 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2bbu n PRO 132 Cb 0.51 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.05 -5.29 -4.26 0.54 4.01 -1.26 -5.02 118.16 105.82 2bbu n LYS 133 Ca 0.15 3.78 -0.15 0.00 -0.51 0.00 0.00 58.31 61.58 2bbu n LYS 133 Cb 0.09 -4.02 -0.10 0.00 -0.51 0.00 0.00 35.03 30.48 2bbu n LYS 133 CO 0.00 0.00 0.00 -0.98 -1.11 0.00 0.00 177.40 175.31 2bbu s ARG 134 N -0.79 1.11 0.00 1.97 3.03 -1.26 -5.12 118.95 117.89 2bbu s ARG 134 Ca 0.00 -1.49 0.00 0.00 2.03 0.00 0.00 55.73 56.27 2bbu s ARG 134 Cb 0.00 -0.61 0.00 0.00 -1.03 0.00 0.00 34.95 33.31 2bbu s ARG 134 CO 0.00 0.04 0.00 0.00 -1.13 0.00 0.00 175.30 174.21 2bbu n ALA 135 N -0.23 0.00 -3.79 7.88 0.00 -1.26 -5.12 120.51 117.98 2bbu n ALA 135 Ca -0.09 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.03 2bbu n ALA 135 Cb 0.61 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.02 2.46 0.23 0.00 5.04 -1.21 -5.00 117.35 117.86 2bbu s TYR 136 Ca 0.00 -1.29 -0.16 0.00 -2.44 0.00 0.00 57.07 53.18 2bbu s TYR 136 Cb 0.00 -1.71 0.01 0.00 0.35 0.00 0.00 41.96 40.61 2bbu s TYR 136 CO 0.00 -0.62 0.54 1.52 -1.34 0.00 0.00 175.55 175.65 2bbu s TYR 137 N 1.03 0.05 -0.05 4.97 -0.85 -1.26 -2.78 117.35 118.47 2bbu s TYR 137 Ca -0.03 -0.43 -0.03 0.00 -0.52 0.00 0.00 57.07 56.06 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 -0.05 -1.01 0.11 0.42 -1.52 0.00 0.00 175.55 173.50 2bbu s ILE 138 N -3.94 5.02 -0.09 -3.49 1.01 -1.01 -4.89 121.20 113.81 2bbu s ILE 138 Ca 0.15 -0.16 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 2bbu s ILE 138 Cb -0.02 -3.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 2bbu s ILE 138 CO 0.04 0.46 0.43 -0.31 0.00 0.00 0.00 174.94 175.56 2bbu s TYR 139 N -1.13 3.56 -0.52 3.97 1.51 -1.26 -1.66 117.35 121.83 2bbu s TYR 139 Ca 0.20 0.87 -0.06 0.00 -1.01 0.00 0.00 57.07 57.07 2bbu s TYR 139 Cb -0.12 -2.45 -0.11 0.00 -0.11 0.00 0.00 41.96 39.17 2bbu s TYR 139 CO 0.10 0.30 3.16 0.45 -1.11 0.00 0.00 175.55 178.46 2bbu n SER 140 N 3.17 6.43 -2.08 2.29 2.88 0.49 -4.68 113.62 122.11 2bbu n SER 140 Ca -0.10 -2.76 -0.04 0.00 -1.33 0.00 0.00 58.87 54.64 2bbu n SER 140 Cb 0.52 -1.38 -0.01 0.00 -0.75 0.00 0.00 64.21 62.59 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 2.14 -0.25 0.00 0.46 0.00 -1.26 -2.70 105.19 103.58 2bbu n GLY 141 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 -0.44 0.54 3.22 -0.02 0.00 -1.26 -5.11 105.19 102.12 2bbu n GLY 142 Ca -0.04 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 3.18 -0.60 1.61 2.02 -1.10 -5.07 118.70 118.74 2bbu s GLU 143 Ca 0.00 -0.74 -0.28 0.00 0.02 0.00 0.00 54.97 53.96 2bbu s GLU 143 Cb 0.00 -2.72 0.03 0.00 0.10 0.00 0.00 34.13 31.55 2bbu s GLU 143 CO 0.00 -0.13 1.20 -1.59 0.02 0.00 0.00 175.26 174.76 2bbu s LYS 144 N 1.19 3.48 -0.52 1.61 -2.85 -1.26 0.18 119.74 121.57 2bbu s LYS 144 Ca 0.02 0.20 -0.20 0.00 -1.00 0.00 0.00 55.97 54.99 2bbu s LYS 144 Cb -0.14 -4.03 0.06 0.00 -2.06 0.00 0.00 37.83 31.66 2bbu s LYS 144 CO -0.06 -1.73 0.68 0.42 0.10 0.00 0.00 175.35 174.76 2bbu s ILE 145 N 5.04 4.79 0.06 3.79 1.09 -0.66 -4.95 121.20 130.36 2bbu s ILE 145 Ca 0.42 -0.40 -0.31 0.00 -1.10 0.00 0.00 60.65 59.27 2bbu s ILE 145 Cb -0.07 -4.35 -0.06 0.00 -1.06 0.00 0.00 42.46 36.92 2bbu s ILE 145 CO 0.24 -0.87 1.23 -2.16 -0.10 0.00 0.00 174.94 173.28 2bbu s PRO 146 N 2.84 4.41 -0.04 2.79 0.04 -1.26 -2.39 135.00 141.38 2bbu s PRO 146 Ca 0.17 1.81 0.04 0.00 0.04 0.00 0.00 61.00 63.06 2bbu s PRO 146 Cb -0.18 -3.35 -0.00 0.00 0.04 0.00 0.00 34.50 31.00 2bbu s PRO 146 CO 0.13 -0.30 -0.18 -0.51 0.04 0.00 0.00 177.00 176.19 2bbu s LEU 147 N 1.16 1.93 -0.32 -3.56 1.02 -1.12 -4.96 118.68 112.82 2bbu s LEU 147 Ca 0.59 -0.36 -0.14 0.00 0.02 0.00 0.00 54.13 54.24 2bbu s LEU 147 Cb -0.30 -1.00 -0.02 0.00 0.02 0.00 0.00 46.19 44.89 2bbu s LEU 147 CO 0.29 0.16 0.30 -0.69 0.02 0.00 0.00 176.35 176.42 2bbu s VAL 148 N 0.03 5.23 -0.05 -1.59 1.01 -1.26 -3.30 120.40 120.47 2bbu s VAL 148 Ca -0.04 0.08 0.06 0.00 0.00 0.00 0.00 61.98 62.08 2bbu s VAL 148 Cb -0.12 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 2bbu s VAL 148 CO 0.02 0.04 -0.23 -1.48 0.00 0.00 0.00 175.10 173.45 2bbu s LEU 149 N 1.90 2.02 -0.38 3.92 0.05 -1.26 -5.02 118.68 119.90 2bbu s LEU 149 Ca 0.10 -0.46 0.05 0.00 0.05 0.00 0.00 54.13 53.87 2bbu s LEU 149 Cb -0.17 -1.25 0.28 0.00 -2.05 0.00 0.00 46.19 43.01 2bbu s LEU 149 CO 0.11 0.22 1.24 -0.24 -0.55 0.00 0.00 176.35 177.13 2bbu n SER 150 N 2.98 -1.70 -3.96 1.48 2.88 -1.26 -4.52 113.62 109.53 2bbu n SER 150 Ca -0.18 -2.47 -0.26 0.00 -1.33 0.00 0.00 58.87 54.63 2bbu n SER 150 Cb 0.52 1.29 -0.17 0.00 -0.75 0.00 0.00 64.21 65.10 2bbu n SER 150 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2bbu s ARG 151 N 0.15 1.65 0.41 -1.46 1.81 -1.26 -4.66 118.95 115.59 2bbu s ARG 151 Ca 0.17 -0.34 -0.22 0.00 -1.72 0.00 0.00 55.73 53.62 2bbu s ARG 151 Cb 0.27 -1.55 -0.10 0.00 -0.45 0.00 0.00 34.95 33.12 2bbu s ARG 151 CO -0.09 -0.15 0.97 -1.25 -0.68 0.00 0.00 175.30 174.10 2bbu s PRO 152 N 1.29 4.24 0.01 3.54 0.04 -1.26 -3.19 135.00 139.67 2bbu s PRO 152 Ca -0.03 1.24 -0.24 0.00 0.04 0.00 0.00 61.00 62.02 2bbu s PRO 152 Cb -0.14 -2.34 -0.05 0.00 0.04 0.00 0.00 34.50 32.01 2bbu s PRO 152 CO -0.04 -0.03 0.72 -1.17 0.04 0.00 0.00 177.00 176.52 2bbu s LEU 153 N -2.92 4.42 -0.75 -3.56 0.20 -1.26 -4.84 118.68 109.97 2bbu s LEU 153 Ca 0.60 1.35 0.04 0.00 0.69 0.00 0.00 54.13 56.80 2bbu s LEU 153 Cb -0.14 -3.15 0.19 0.00 -0.43 0.00 0.00 46.19 42.67 2bbu s LEU 153 CO 0.18 0.01 0.60 -0.24 -0.29 0.00 0.00 176.35 176.61 2bbu n SER 154 N 2.97 3.42 -0.08 3.68 2.88 -1.26 -4.39 113.62 120.84 2bbu n SER 154 Ca -0.03 -3.23 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 2bbu n SER 154 Cb 0.51 -0.82 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2bbu n SER 154 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2bbu n SER 155 N 1.88 -0.64 0.00 -3.46 7.64 -1.26 -5.12 113.62 112.66 2bbu n SER 155 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2bbu n SER 155 Cb 0.36 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 2bbu n SER 155 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62