#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 0.91 -0.15 -1.84 -0.00 -1.90 -2.54 116.97 111.45 2bbu h TYR 2 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 58.73 58.48 2bbu h TYR 2 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 36.73 36.47 2bbu h TYR 2 CO 0.00 0.82 -0.42 0.37 -0.00 0.00 0.00 178.16 178.94 2bbu h GLN 3 N 0.79 0.35 -0.15 0.10 5.75 -1.90 -0.99 115.11 119.07 2bbu h GLN 3 Ca 0.15 -0.18 -0.03 0.00 -0.15 0.00 0.00 58.65 58.45 2bbu h GLN 3 Cb 0.46 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.01 2bbu h GLN 3 CO 0.02 0.71 -0.03 -0.07 -2.65 0.00 0.00 178.83 176.82 2bbu h LEU 4 N 0.29 0.28 -0.37 -2.39 3.38 -1.87 -2.78 115.31 111.85 2bbu h LEU 4 Ca 0.03 -0.35 -0.18 0.00 0.09 0.00 0.00 57.88 57.46 2bbu h LEU 4 Cb 0.86 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2bbu h LEU 4 CO 0.07 0.57 -0.64 -0.37 0.09 0.00 0.00 178.44 178.16 2bbu h VAL 5 N -0.01 1.31 -0.41 1.22 -1.51 -1.44 -3.09 116.25 112.33 2bbu h VAL 5 Ca 0.04 -1.89 0.04 0.00 -1.23 0.00 0.00 66.70 63.66 2bbu h VAL 5 Cb 0.44 1.86 -0.02 0.00 -2.13 0.00 0.00 31.29 31.44 2bbu h VAL 5 CO 0.01 0.59 0.27 0.58 -1.23 0.00 0.00 177.57 177.80 2bbu h VAL 6 N 0.47 0.99 -0.43 7.19 2.07 -1.17 -1.97 116.25 123.41 2bbu h VAL 6 Ca -0.01 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2bbu h VAL 6 Cb 1.22 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2bbu h VAL 6 CO 0.12 0.07 0.28 -1.13 0.02 0.00 0.00 177.57 176.93 2bbu h ASN 7 N 0.38 0.50 -0.39 0.57 -0.73 -1.40 -1.47 115.58 113.03 2bbu h ASN 7 Ca 0.17 -0.03 -0.08 0.00 1.87 0.00 0.00 56.30 58.24 2bbu h ASN 7 Cb 0.22 -0.13 -0.01 0.00 0.27 0.00 0.00 38.32 38.67 2bbu h ASN 7 CO -0.04 0.38 -0.06 0.00 -0.37 0.00 0.00 177.43 177.34 2bbu h ALA 8 N 1.14 0.53 -0.97 1.57 0.00 -1.47 -2.86 119.26 117.21 2bbu h ALA 8 Ca 0.16 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2bbu h ALA 8 Cb -0.04 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.54 2bbu h ALA 8 CO -0.03 0.37 0.62 0.28 0.00 0.00 0.00 179.25 180.49 2bbu h VAL 9 N 0.54 1.05 -0.32 0.00 2.07 -1.15 0.61 116.25 119.05 2bbu h VAL 9 Ca 0.10 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.30 2bbu h VAL 9 Cb 0.56 -0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 30.15 2bbu h VAL 9 CO 0.03 0.20 0.03 -0.09 0.02 0.00 0.00 177.57 177.76 2bbu h ARG 10 N 1.09 0.12 0.05 1.57 2.43 -1.04 0.78 114.38 119.38 2bbu h ARG 10 Ca 0.43 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 59.36 2bbu h ARG 10 Cb 0.23 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 2bbu h ARG 10 CO -0.17 0.08 -1.04 -0.22 -1.51 0.00 0.00 179.97 177.11 2bbu h LYS 11 N 0.13 0.19 -0.24 0.20 3.64 -1.29 -2.95 116.57 116.24 2bbu h LYS 11 Ca 0.15 -0.26 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 2bbu h LYS 11 Cb 0.19 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2bbu h LYS 11 CO -0.23 1.06 -0.22 -0.07 -2.27 0.00 0.00 179.45 177.72 2bbu h LEU 12 N 0.08 0.60 -1.14 5.20 3.38 0.71 -2.84 115.31 121.29 2bbu h LEU 12 Ca -0.07 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.36 2bbu h LEU 12 Cb 1.74 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 2bbu h LEU 12 CO 0.16 0.95 -0.15 0.06 0.09 0.00 0.00 178.44 179.54 2bbu h GLN 13 N 0.27 0.42 -0.14 1.13 3.07 0.47 -2.49 115.11 117.84 2bbu h GLN 13 Ca 0.04 -0.12 -0.07 0.00 0.09 0.00 0.00 58.65 58.59 2bbu h GLN 13 Cb 0.77 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.27 2bbu h GLN 13 CO 0.06 0.57 -0.23 1.49 0.09 0.00 0.00 178.83 180.80 2bbu h GLU 14 N 0.39 0.25 0.00 0.06 4.81 -1.42 -2.42 114.58 116.24 2bbu h GLU 14 Ca 0.07 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2bbu h GLU 14 Cb 0.49 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2bbu h GLU 14 CO 0.03 0.47 -0.36 0.66 -0.73 0.00 0.00 179.01 179.08 2bbu h SER 15 N 0.23 0.00 0.00 1.04 4.64 -1.20 -3.46 113.55 114.79 2bbu h SER 15 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2bbu h SER 15 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 2bbu h SER 15 CO 0.04 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 176.97 2bbu n GLY 16 N -0.11 0.95 0.65 -0.77 0.00 -0.91 -4.97 105.19 100.03 2bbu n GLY 16 Ca -0.01 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 45.98 2bbu n GLY 16 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bbu n PHE 17 N -2.09 0.24 -3.32 1.61 3.01 -1.22 -4.34 117.46 111.35 2bbu n PHE 17 Ca 0.00 -0.21 -0.38 0.00 1.01 0.00 0.00 57.45 57.87 2bbu n PHE 17 Cb 0.00 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.40 2bbu n PHE 17 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 2bbu s TYR 18 N -1.09 3.68 0.17 1.38 6.14 -1.25 -4.28 117.35 122.10 2bbu s TYR 18 Ca 0.21 1.08 -0.09 0.00 0.64 0.00 0.00 57.07 58.91 2bbu s TYR 18 Cb 0.13 -2.49 -0.07 0.00 0.42 0.00 0.00 41.96 39.96 2bbu s TYR 18 CO 0.18 0.43 0.49 -1.58 0.64 0.00 0.00 175.55 175.71 2bbu s TRP 19 N -0.41 3.49 0.00 4.97 0.52 -0.68 -4.80 118.94 122.03 2bbu s TRP 19 Ca 0.27 0.83 0.00 0.00 0.02 0.00 0.00 56.10 57.22 2bbu s TRP 19 Cb -0.17 -2.21 0.00 0.00 -1.15 0.00 0.00 33.47 29.94 2bbu s TRP 19 CO 0.15 0.37 0.00 0.45 0.02 0.00 0.00 176.95 177.94 2bbu n SER 20 N 0.24 0.00 0.00 2.95 2.88 -1.26 -4.26 113.62 114.17 2bbu n SER 20 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2bbu n SER 20 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 2bbu n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bbu n ALA 21 N -3.00 0.00 -1.00 -1.46 0.00 -1.26 -4.09 120.51 109.70 2bbu n ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bbu n ALA 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bbu n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2bbu n VAL 22 N 0.00 0.00 -2.28 0.00 0.31 -1.26 -4.94 118.33 110.16 2bbu n VAL 22 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.06 2bbu n VAL 22 Cb 0.00 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 32.97 2bbu n VAL 22 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2bbu s THR 23 N 0.00 3.25 0.00 2.52 2.01 -1.26 -4.73 115.64 117.44 2bbu s THR 23 Ca 0.00 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.98 2bbu s THR 23 Cb 0.00 -3.33 0.00 0.00 0.01 0.00 0.00 72.50 69.18 2bbu s THR 23 CO 0.00 -0.36 0.31 0.61 -0.69 0.00 0.00 174.62 174.50 2bbu n GLY 24 N -2.73 -2.30 0.07 4.40 0.00 -1.26 -0.65 105.19 102.72 2bbu n GLY 24 Ca 0.06 0.49 -0.07 0.00 0.00 0.00 0.00 46.02 46.50 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 0.01 1.19 -0.02 0.00 -1.98 -3.28 103.07 98.98 2bbu h GLY 25 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.36 2bbu h GLY 25 CO 0.00 0.02 0.40 -2.09 0.00 0.00 0.00 176.54 174.87 2bbu h GLU 26 N 0.00 0.57 -0.07 4.80 4.81 -1.93 0.93 114.58 123.69 2bbu h GLU 26 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2bbu h GLU 26 Cb 1.71 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.96 2bbu h GLU 26 CO 0.13 0.37 -0.01 0.00 -0.73 0.00 0.00 179.01 178.77 2bbu h ALA 27 N 1.67 0.10 -0.29 2.92 0.00 -0.95 0.21 119.26 122.93 2bbu h ALA 27 Ca 0.26 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2bbu h ALA 27 Cb 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2bbu h ALA 27 CO -0.08 -0.20 -0.23 -0.91 0.00 0.00 0.00 179.25 177.83 2bbu h ASN 28 N -0.18 0.70 0.36 0.00 2.35 -1.46 -3.20 115.58 114.16 2bbu h ASN 28 Ca 0.02 -0.45 -0.12 0.00 -0.55 0.00 0.00 56.30 55.20 2bbu h ASN 28 Cb 0.38 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.54 2bbu h ASN 28 CO 0.01 1.00 -0.50 -0.07 -1.65 0.00 0.00 177.43 176.22 2bbu h LEU 29 N 0.40 0.18 -0.92 1.61 4.07 0.87 -3.19 115.31 118.33 2bbu h LEU 29 Ca 0.05 -0.09 0.11 0.00 0.08 0.00 0.00 57.88 58.04 2bbu h LEU 29 Cb 0.78 -0.05 -0.08 0.00 1.08 0.00 0.00 40.66 42.39 2bbu h LEU 29 CO 0.06 0.65 0.56 0.25 -1.08 0.00 0.00 178.44 178.88 2bbu h LEU 30 N 0.13 0.80 -1.45 1.67 5.85 -0.57 0.20 115.31 121.95 2bbu h LEU 30 Ca 0.00 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2bbu h LEU 30 Cb 0.93 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2bbu h LEU 30 CO 0.07 0.44 0.24 0.17 -0.34 0.00 0.00 178.44 179.02 2bbu h LEU 31 N 0.89 0.54 -0.84 2.25 8.10 -1.65 -0.64 115.31 123.96 2bbu h LEU 31 Ca 0.45 -0.04 -0.12 0.00 0.11 0.00 0.00 57.88 58.29 2bbu h LEU 31 Cb 0.44 -0.14 -0.01 0.00 -0.44 0.00 0.00 40.66 40.51 2bbu h LEU 31 CO -0.26 0.44 -0.46 -1.28 -4.11 0.00 0.00 178.44 172.77 2bbu h SER 32 N 0.61 0.29 1.87 0.17 0.87 -0.77 0.78 113.55 117.38 2bbu h SER 32 Ca 0.16 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2bbu h SER 32 Cb 0.03 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.91 2bbu h SER 32 CO -0.03 0.71 -0.13 0.00 -0.53 0.00 0.00 176.83 176.86 2bbu h ALA 33 N 1.30 0.93 -2.02 6.23 0.00 -0.03 -3.37 119.26 122.29 2bbu h ALA 33 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2bbu h ALA 33 Cb 0.90 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 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 -3.09 0.00 -1.09 0.00 1.02 -0.36 -4.80 120.64 112.32 2bbu n GLU 34 Ca 0.03 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 2bbu n GLU 34 Cb 0.56 -0.04 -0.03 0.00 -0.02 0.00 0.00 31.44 31.90 2bbu n GLU 34 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2bbu n PRO 35 N -1.57 2.08 -1.58 3.49 -0.04 0.25 -4.93 135.00 132.69 2bbu n PRO 35 Ca 0.00 -1.83 -0.44 0.00 -0.04 0.00 0.00 63.50 61.19 2bbu n PRO 35 Cb 0.00 -2.79 -0.01 0.00 -0.04 0.00 0.00 33.50 30.66 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 5.78 -0.29 -0.75 0.55 0.00 -1.20 -0.40 120.51 124.19 2bbu n ALA 36 Ca 0.50 0.37 0.00 0.00 0.00 0.00 0.00 53.44 54.31 2bbu n ALA 36 Cb 0.29 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.73 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 1.25 1.48 3.79 0.00 0.00 -1.26 -5.00 105.19 105.44 2bbu n GLY 37 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.74 4.72 -0.02 2.61 2.01 0.46 -3.83 115.64 117.84 2bbu s THR 38 Ca 0.00 -0.47 0.06 0.00 0.31 0.00 0.00 61.69 61.59 2bbu s THR 38 Cb 0.00 -3.18 -0.01 0.00 0.01 0.00 0.00 72.50 69.31 2bbu s THR 38 CO 0.00 0.30 -0.21 0.72 -0.69 0.00 0.00 174.62 174.75 2bbu s PHE 39 N -1.24 1.91 0.06 4.92 -0.12 -1.07 -4.25 117.98 118.19 2bbu s PHE 39 Ca 0.24 -0.41 -0.03 0.00 -0.05 0.00 0.00 56.93 56.69 2bbu s PHE 39 Cb -0.12 -1.24 -0.03 0.00 -0.63 0.00 0.00 43.02 41.00 2bbu s PHE 39 CO 0.16 -0.07 0.01 -0.48 -0.05 0.00 0.00 175.22 174.79 2bbu s LEU 40 N -0.39 2.26 -0.12 -1.99 0.05 -1.24 -3.04 118.68 114.22 2bbu s LEU 40 Ca 0.05 -0.90 0.01 0.00 0.05 0.00 0.00 54.13 53.34 2bbu s LEU 40 Cb -0.09 0.36 -0.01 0.00 -2.05 0.00 0.00 46.19 44.40 2bbu s LEU 40 CO 0.00 -0.61 -0.15 -0.51 -0.55 0.00 0.00 176.35 174.53 2bbu s ILE 41 N -3.76 2.87 0.27 1.48 2.07 -1.26 -2.96 121.20 119.91 2bbu s ILE 41 Ca 0.05 -0.73 0.09 0.00 -1.41 0.00 0.00 60.65 58.65 2bbu s ILE 41 Cb 0.06 -2.18 -0.04 0.00 0.13 0.00 0.00 42.46 40.43 2bbu s ILE 41 CO -0.10 0.53 0.01 0.00 -1.91 0.00 0.00 174.94 173.48 2bbu s ARG 42 N 0.28 2.32 -0.02 3.50 1.04 0.23 -1.69 118.95 124.62 2bbu s ARG 42 Ca -0.11 -1.42 -0.30 0.00 -1.04 0.00 0.00 55.73 52.86 2bbu s ARG 42 Cb -0.16 -2.17 -0.04 0.00 -2.04 0.00 0.00 34.95 30.54 2bbu s ARG 42 CO 0.06 0.34 1.25 0.34 -0.04 0.00 0.00 175.30 177.25 2bbu s ASP 43 N -3.69 7.01 0.00 -2.89 2.15 -1.26 0.15 116.67 118.14 2bbu s ASP 43 Ca 0.32 1.93 0.00 0.00 0.43 0.00 0.00 52.55 55.23 2bbu s ASP 43 Cb -0.06 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 2bbu s ASP 43 CO 0.20 -0.59 0.13 -0.24 -0.17 0.00 0.00 175.17 174.50 2bbu n SER 44 N 4.96 0.00 -3.32 -0.34 2.88 0.74 -4.45 113.62 114.09 2bbu n SER 44 Ca 0.11 0.13 -0.27 0.00 -1.33 0.00 0.00 58.87 57.51 2bbu n SER 44 Cb 0.46 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.85 2bbu n SER 44 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2bbu n SER 45 N -0.15 3.97 -0.43 -3.46 7.64 -1.26 -4.85 113.62 115.09 2bbu n SER 45 Ca 0.00 -3.50 0.00 0.00 1.01 0.00 0.00 58.87 56.38 2bbu n SER 45 Cb 0.00 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 2bbu n SER 45 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2bbu n ASP 46 N 0.60 -2.89 0.00 6.43 2.03 -1.26 -3.49 116.55 117.96 2bbu n ASP 46 Ca 0.30 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.75 2bbu n ASP 46 Cb 0.40 0.00 0.77 0.00 -0.72 0.00 0.00 41.12 41.58 2bbu n ASP 46 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2bbu n GLN 47 N -0.86 0.70 -0.45 -0.67 -0.06 -1.26 -3.05 117.38 111.74 2bbu n GLN 47 Ca 0.00 0.01 0.05 0.00 -2.00 0.00 0.00 57.00 55.07 2bbu n GLN 47 Cb 0.00 -1.50 0.23 0.00 -4.06 0.00 0.00 30.24 24.91 2bbu n GLN 47 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2bbu n ARG 48 N -1.10 2.95 0.00 3.69 0.63 -1.23 -4.75 116.66 116.86 2bbu n ARG 48 Ca 0.18 -1.85 0.00 0.00 -0.92 0.00 0.00 57.85 55.26 2bbu n ARG 48 Cb 0.13 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.28 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 0.55 0.00 -2.76 -0.14 8.25 -1.17 -4.86 115.22 115.08 2bbu n HIS 49 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2bbu n HIS 49 Cb 0.68 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.79 2bbu n HIS 49 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2bbu n PHE 50 N 0.00 0.00 -4.14 4.41 -1.74 -1.25 -4.25 117.46 110.49 2bbu n PHE 50 Ca 0.00 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.73 2bbu n PHE 50 Cb 0.00 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 40.88 2bbu n PHE 50 CO 0.00 0.00 0.00 -0.59 -0.56 0.00 0.00 176.76 175.61 2bbu s PHE 51 N -1.97 0.94 0.15 2.97 -0.12 -1.26 0.26 117.98 118.95 2bbu s PHE 51 Ca 0.00 -0.45 0.08 0.00 -0.05 0.00 0.00 56.93 56.51 2bbu s PHE 51 Cb 0.00 -0.54 -0.04 0.00 -0.63 0.00 0.00 43.02 41.81 2bbu s PHE 51 CO 0.00 -0.01 -0.17 0.99 -0.05 0.00 0.00 175.22 175.98 2bbu s THR 52 N -1.23 1.69 0.02 -4.49 2.01 0.12 -4.43 115.64 109.33 2bbu s THR 52 Ca -0.05 -1.87 0.01 0.00 0.31 0.00 0.00 61.69 60.09 2bbu s THR 52 Cb -0.09 -1.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.63 2bbu s THR 52 CO 0.01 -0.35 -0.05 -0.22 -0.69 0.00 0.00 174.62 173.32 2bbu s LEU 53 N -2.62 2.16 0.04 4.42 0.20 -0.66 0.77 118.68 123.00 2bbu s LEU 53 Ca 0.14 -0.37 -0.00 0.00 0.69 0.00 0.00 54.13 54.59 2bbu s LEU 53 Cb -0.05 -0.12 -0.03 0.00 -0.43 0.00 0.00 46.19 45.56 2bbu s LEU 53 CO 0.06 -0.13 -0.04 -0.94 -0.29 0.00 0.00 176.35 175.01 2bbu s SER 54 N -1.02 0.43 0.44 3.68 1.04 -1.16 -2.68 113.70 114.43 2bbu s SER 54 Ca -0.07 -0.70 0.05 0.00 0.48 0.00 0.00 55.95 55.71 2bbu s SER 54 Cb -0.07 0.13 -0.06 0.00 0.10 0.00 0.00 66.02 66.12 2bbu s SER 54 CO -0.00 -0.40 0.01 0.54 0.98 0.00 0.00 173.24 174.36 2bbu s VAL 55 N -2.42 1.76 -0.02 5.02 0.11 -1.25 -3.65 120.40 119.95 2bbu s VAL 55 Ca -0.06 -2.00 0.07 0.00 -2.93 0.00 0.00 61.98 57.05 2bbu s VAL 55 Cb -0.03 -2.77 -0.02 0.00 -1.53 0.00 0.00 36.38 32.03 2bbu s VAL 55 CO -0.04 0.00 -0.22 -0.75 -3.33 0.00 0.00 175.10 170.76 2bbu s LYS 56 N -3.76 1.86 0.13 1.54 2.36 -1.26 -4.05 119.74 116.55 2bbu s LYS 56 Ca 0.27 -0.78 -0.02 0.00 -2.55 0.00 0.00 55.97 52.89 2bbu s LYS 56 Cb 0.08 -1.75 0.01 0.00 -1.05 0.00 0.00 37.83 35.11 2bbu s LYS 56 CO 0.14 0.45 0.20 2.41 1.55 0.00 0.00 175.35 180.09 2bbu n THR 57 N 2.62 0.00 0.22 3.43 -1.04 -1.26 -4.14 114.28 114.11 2bbu n THR 57 Ca -0.16 -0.55 -0.02 0.00 -2.04 0.00 0.00 64.05 61.28 2bbu n THR 57 Cb 0.52 0.37 0.12 0.00 -1.82 0.00 0.00 70.33 69.52 2bbu n THR 57 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bbu n GLN 58 N -0.20 2.08 0.00 -2.82 6.02 -1.26 -3.55 117.38 117.65 2bbu n GLN 58 Ca -0.01 -1.19 0.00 0.00 -0.01 0.00 0.00 57.00 55.79 2bbu n GLN 58 Cb 0.20 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 29.81 2bbu n GLN 58 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2bbu n SER 59 N 0.08 0.48 0.00 1.08 3.41 -1.26 -5.10 113.62 112.32 2bbu n SER 59 Ca 0.16 -0.82 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 2bbu n SER 59 Cb 0.76 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.88 2bbu n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bbu n GLY 60 N 0.17 3.72 3.49 5.00 0.00 -1.23 -4.33 105.19 112.00 2bbu n GLY 60 Ca 0.00 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 2bbu n GLY 60 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bbu s THR 61 N -0.96 5.00 0.18 2.61 -1.32 -1.26 -4.35 115.64 115.55 2bbu s THR 61 Ca 0.00 -0.26 0.07 0.00 -1.21 0.00 0.00 61.69 60.30 2bbu s THR 61 Cb 0.00 -4.11 -0.04 0.00 -1.51 0.00 0.00 72.50 66.84 2bbu s THR 61 CO 0.00 -0.50 0.01 -0.54 -2.21 0.00 0.00 174.62 171.38 2bbu s LYS 62 N 2.34 2.43 -0.15 7.08 -0.14 -1.26 -5.00 119.74 125.05 2bbu s LYS 62 Ca 0.15 -1.12 -0.02 0.00 -1.36 0.00 0.00 55.97 53.62 2bbu s LYS 62 Cb -0.17 -2.36 -0.02 0.00 -1.68 0.00 0.00 37.83 33.60 2bbu s LYS 62 CO 0.15 0.45 -0.08 1.21 -0.76 0.00 0.00 175.35 176.32 2bbu s ASN 63 N -3.03 4.40 0.09 2.83 3.84 -1.26 -3.89 114.94 117.93 2bbu s ASN 63 Ca 0.28 -0.25 0.05 0.00 0.21 0.00 0.00 52.86 53.16 2bbu s ASN 63 Cb -0.09 -1.70 -0.03 0.00 -0.55 0.00 0.00 41.25 38.87 2bbu s ASN 63 CO 0.19 0.14 -0.14 -0.76 -2.79 0.00 0.00 177.10 173.74 2bbu s LEU 64 N 0.50 2.33 0.00 3.21 1.02 -1.09 -5.00 118.68 119.65 2bbu s LEU 64 Ca -0.06 -0.70 0.00 0.00 0.02 0.00 0.00 54.13 53.39 2bbu s LEU 64 Cb -0.15 -0.52 0.00 0.00 0.02 0.00 0.00 46.19 45.54 2bbu s LEU 64 CO 0.03 -0.11 0.00 -2.11 0.02 0.00 0.00 176.35 174.18 2bbu n ARG 65 N 0.95 3.28 -4.39 1.70 1.85 -1.26 -1.65 116.66 117.14 2bbu n ARG 65 Ca -0.19 0.00 -0.30 0.00 -1.00 0.00 0.00 57.85 56.37 2bbu n ARG 65 Cb 0.55 0.00 -0.12 0.00 -1.05 0.00 0.00 32.46 31.85 2bbu n ARG 65 CO 0.00 0.00 0.00 -1.50 -0.01 0.00 0.00 177.63 176.12 2bbu s ILE 66 N 2.72 2.75 -0.19 8.89 1.10 -1.26 -4.68 121.20 130.54 2bbu s ILE 66 Ca 0.00 -1.47 -0.04 0.00 -0.51 0.00 0.00 60.65 58.63 2bbu s ILE 66 Cb 0.00 -2.24 -0.02 0.00 0.15 0.00 0.00 42.46 40.36 2bbu s ILE 66 CO 0.00 0.15 -0.04 -1.58 -2.11 0.00 0.00 174.94 171.35 2bbu s GLN 67 N -1.99 3.50 -0.13 3.50 0.74 -0.43 -4.96 119.66 119.88 2bbu s GLN 67 Ca 0.17 -0.59 -0.22 0.00 0.05 0.00 0.00 55.36 54.77 2bbu s GLN 67 Cb -0.10 -2.95 -0.03 0.00 1.10 0.00 0.00 33.01 31.02 2bbu s GLN 67 CO 0.09 0.01 0.67 0.00 -0.55 0.00 0.00 175.29 175.50 2bbu s GLU 69 N 1.34 1.19 3.65 0.00 2.02 0.13 -4.99 118.70 122.05 2bbu s GLU 69 Ca 0.33 -1.28 0.00 0.00 0.02 0.00 0.00 54.97 54.04 2bbu s GLU 69 Cb -0.17 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.53 2bbu s GLU 69 CO 0.14 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 174.97 2bbu n GLY 70 N 4.62 0.58 1.55 -1.39 0.00 -1.26 -0.67 105.19 108.62 2bbu n GLY 70 Ca -0.03 0.63 -0.11 0.00 0.00 0.00 0.00 46.02 46.51 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 5.57 3.15 -0.02 0.00 -1.26 -5.03 105.19 107.60 2bbu n GLY 71 Ca 0.00 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 43.88 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 -3.44 0.32 -0.01 1.61 1.04 0.16 -4.90 113.70 108.48 2bbu s SER 72 Ca 0.45 -0.86 0.03 0.00 0.48 0.00 0.00 55.95 56.04 2bbu s SER 72 Cb 0.39 0.27 -0.00 0.00 0.10 0.00 0.00 66.02 66.78 2bbu s SER 72 CO -0.01 -0.67 -0.08 -0.36 0.98 0.00 0.00 173.24 173.10 2bbu s PHE 73 N -3.90 0.81 -0.03 5.02 0.08 -1.26 -0.69 117.98 118.01 2bbu s PHE 73 Ca 0.07 -0.17 -0.24 0.00 0.12 0.00 0.00 56.93 56.72 2bbu s PHE 73 Cb 0.07 -0.55 0.05 0.00 -0.57 0.00 0.00 43.02 42.02 2bbu s PHE 73 CO -0.10 -0.04 0.51 0.45 -0.10 0.00 0.00 175.22 175.94 2bbu s SER 74 N -0.05 -0.45 -0.00 1.36 0.15 -1.03 -4.21 113.70 109.47 2bbu s SER 74 Ca 0.01 0.42 -0.06 0.00 0.70 0.00 0.00 55.95 57.03 2bbu s SER 74 Cb -0.05 0.44 -0.25 0.00 -1.71 0.00 0.00 66.02 64.44 2bbu s SER 74 CO -0.00 -0.54 3.53 -0.11 1.20 0.00 0.00 173.24 177.31 2bbu n LEU 75 N 1.05 5.25 -2.47 3.45 0.00 -1.26 -1.32 117.00 121.70 2bbu n LEU 75 Ca -0.20 -3.13 -0.02 0.00 0.00 0.00 0.00 56.01 52.65 2bbu n LEU 75 Cb 0.57 -1.40 0.00 0.00 0.00 0.00 0.00 43.42 42.59 2bbu n LEU 75 CO 0.23 1.66 0.14 1.67 0.00 0.00 0.00 177.39 181.09 2bbu n GLN 76 N 2.43 -1.21 -1.83 1.96 7.27 -1.26 -4.95 117.38 119.79 2bbu n GLN 76 Ca 0.40 1.36 0.00 0.00 0.07 0.00 0.00 57.00 58.83 2bbu n GLN 76 Cb 0.89 -4.31 0.00 0.00 2.41 0.00 0.00 30.24 29.23 2bbu n GLN 76 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2bbu n SER 77 N -0.97 0.35 -4.39 1.69 2.88 -1.26 -5.15 113.62 106.77 2bbu n SER 77 Ca 0.04 -0.92 -0.29 0.00 -1.33 0.00 0.00 58.87 56.37 2bbu n SER 77 Cb 0.41 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.74 2bbu n SER 77 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2bbu s ASP 78 N -0.83 3.31 -0.50 -3.46 -4.77 -1.26 -5.01 116.67 104.15 2bbu s ASP 78 Ca 0.00 -0.75 -0.05 0.00 -3.30 0.00 0.00 52.55 48.45 2bbu s ASP 78 Cb 0.00 -0.22 -0.12 0.00 -1.09 0.00 0.00 42.92 41.49 2bbu s ASP 78 CO 0.00 0.18 2.44 -0.81 0.70 0.00 0.00 175.17 177.68 2bbu n PRO 79 N 0.92 1.84 0.00 2.11 -0.04 -1.26 -4.50 135.00 134.07 2bbu n PRO 79 Ca -0.18 -1.11 0.08 0.00 -0.04 0.00 0.00 63.50 62.25 2bbu n PRO 79 Cb 0.53 -2.15 0.40 0.00 -0.04 0.00 0.00 33.50 32.24 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 3.32 0.29 -3.16 0.54 0.00 -1.26 -4.84 116.66 111.54 2bbu n ARG 80 Ca 0.39 0.11 -0.15 0.00 -0.00 0.00 0.00 57.85 58.21 2bbu n ARG 80 Cb 0.40 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 31.40 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 -1.21 -4.62 -1.91 6.15 2.88 -1.26 -4.92 113.62 108.71 2bbu n SER 81 Ca 0.08 -0.33 -0.21 0.00 -1.33 0.00 0.00 58.87 57.08 2bbu n SER 81 Cb 0.10 -3.26 0.14 0.00 -0.75 0.00 0.00 64.21 60.44 2bbu n SER 81 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2bbu n THR 82 N -4.01 3.05 -4.30 2.46 -1.04 -1.26 -4.98 114.28 104.20 2bbu n THR 82 Ca 0.00 -2.72 -0.16 0.00 -2.04 0.00 0.00 64.05 59.13 2bbu n THR 82 Cb 0.54 -0.69 -0.10 0.00 -1.82 0.00 0.00 70.33 68.26 2bbu n THR 82 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2bbu s GLN 83 N -3.46 1.23 0.01 -2.82 1.11 -1.26 -4.90 119.66 109.57 2bbu s GLN 83 Ca 0.55 -1.59 -0.25 0.00 0.01 0.00 0.00 55.36 54.07 2bbu s GLN 83 Cb 0.46 -0.60 -0.17 0.00 -1.01 0.00 0.00 33.01 31.69 2bbu s GLN 83 CO 0.04 -0.04 1.30 -1.00 0.01 0.00 0.00 175.29 175.59 2bbu h PRO 84 N 2.58 -0.27 -6.73 2.91 0.13 -2.03 -3.45 132.00 125.14 2bbu h PRO 84 Ca -0.38 0.02 -0.68 0.00 -0.87 0.00 0.00 66.00 64.09 2bbu h PRO 84 Cb 1.21 0.06 -0.20 0.00 0.13 0.00 0.00 31.00 32.21 2bbu h PRO 84 CO 0.64 0.05 -0.81 0.08 -0.23 0.00 0.00 178.00 177.73 2bbu s VAL 85 N -4.74 2.74 0.18 1.56 1.01 -1.26 -5.09 120.40 114.80 2bbu s VAL 85 Ca -0.14 -1.50 -0.31 0.00 0.00 0.00 0.00 61.98 60.03 2bbu s VAL 85 Cb 0.02 -2.23 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 2bbu s VAL 85 CO 0.59 0.13 1.38 -2.16 0.00 0.00 0.00 175.10 175.03 2bbu s PRO 86 N -2.03 4.33 -0.31 2.72 0.04 -1.26 -3.94 135.00 134.55 2bbu s PRO 86 Ca 0.17 2.13 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 2bbu s PRO 86 Cb -0.10 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.26 2bbu s PRO 86 CO 0.09 -0.37 0.25 0.54 0.04 0.00 0.00 177.00 177.55 2bbu n ARG 87 N 3.07 -2.50 0.00 4.56 1.74 -1.26 -4.95 116.66 117.32 2bbu n ARG 87 Ca 0.08 2.14 0.00 0.00 -0.77 0.00 0.00 57.85 59.30 2bbu n ARG 87 Cb 0.42 -4.42 0.00 0.00 -1.02 0.00 0.00 32.46 27.44 2bbu n ARG 87 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2bbu n PHE 88 N 0.40 -0.21 -2.96 -1.55 3.01 -1.25 -4.77 117.46 110.12 2bbu n PHE 88 Ca 0.03 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.06 2bbu n PHE 88 Cb 0.29 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.71 2bbu n PHE 88 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2bbu s ASP 89 N -2.41 6.41 0.00 4.37 1.01 -1.26 -4.82 116.67 119.96 2bbu s ASP 89 Ca 0.00 -0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.14 2bbu s ASP 89 Cb 0.00 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.55 2bbu s ASP 89 CO 0.00 -0.92 0.00 0.00 0.21 0.00 0.00 175.17 174.46 2bbu h VAL 91 N 0.00 0.22 -0.69 0.00 3.04 -1.88 0.24 116.25 117.17 2bbu h VAL 91 Ca 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 65.81 2bbu h VAL 91 Cb 0.00 0.48 -0.04 0.00 -2.01 0.00 0.00 31.29 29.72 2bbu h VAL 91 CO 0.00 0.00 0.46 0.25 -1.01 0.00 0.00 177.57 177.27 2bbu h LEU 92 N 0.00 0.39 -1.83 3.16 6.46 0.37 0.37 115.31 124.23 2bbu h LEU 92 Ca 0.22 0.02 0.07 0.00 -0.12 0.00 0.00 57.88 58.07 2bbu h LEU 92 Cb 1.47 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.31 2bbu h LEU 92 CO -0.00 0.22 0.26 0.50 -0.62 0.00 0.00 178.44 178.80 2bbu h LYS 93 N 0.43 0.21 -0.55 1.25 1.63 0.29 -0.92 116.57 118.90 2bbu h LYS 93 Ca 0.33 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 60.13 2bbu h LYS 93 Cb 0.70 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.25 2bbu h LYS 93 CO -0.10 0.14 0.37 1.25 -3.45 0.00 0.00 179.45 177.65 2bbu h LEU 94 N 0.21 0.62 -1.27 5.20 6.46 -1.08 -2.00 115.31 123.45 2bbu h LEU 94 Ca 0.17 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 58.03 2bbu h LEU 94 Cb 0.41 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.13 2bbu h LEU 94 CO -0.03 0.45 0.56 -0.37 -0.62 0.00 0.00 178.44 178.43 2bbu h VAL 95 N 0.73 0.91 -0.80 1.05 -1.51 -1.26 -0.01 116.25 115.36 2bbu h VAL 95 Ca 0.21 -0.26 0.16 0.00 -1.23 0.00 0.00 66.70 65.57 2bbu h VAL 95 Cb -0.06 0.08 -0.06 0.00 -2.13 0.00 0.00 31.29 29.12 2bbu h VAL 95 CO -0.05 0.14 0.53 0.45 -1.23 0.00 0.00 177.57 177.42 2bbu h HIS 96 N 0.77 0.53 0.09 5.19 3.86 -1.47 -0.44 115.15 123.69 2bbu h HIS 96 Ca 0.41 0.02 -0.27 0.00 -1.16 0.00 0.00 60.37 59.37 2bbu h HIS 96 Cb 0.53 -0.17 0.01 0.00 1.06 0.00 0.00 27.41 28.85 2bbu h HIS 96 CO -0.00 0.19 -1.16 1.25 0.86 0.00 0.00 177.93 179.07 2bbu h HIS 97 N 0.45 0.69 0.00 2.45 6.17 -1.13 -3.18 115.15 120.60 2bbu h HIS 97 Ca 0.40 -0.44 -0.01 0.00 0.71 0.00 0.00 60.37 61.03 2bbu h HIS 97 Cb 0.90 -0.05 -0.00 0.00 2.52 0.00 0.00 27.41 30.77 2bbu h HIS 97 CO -0.00 1.30 -0.04 1.88 0.71 0.00 0.00 177.93 181.79 2bbu h TYR 98 N 0.18 0.00 -2.68 5.26 0.05 -0.76 -3.34 116.97 115.67 2bbu h TYR 98 Ca -0.14 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.51 2bbu h TYR 98 Cb 1.84 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 39.30 2bbu h TYR 98 CO 0.08 0.04 -0.39 -1.64 -1.05 0.00 0.00 178.16 175.20 2bbu s MET 99 N -4.12 0.30 0.78 4.88 -1.94 -0.81 -4.10 119.30 114.30 2bbu s MET 99 Ca -0.03 0.84 -0.11 0.00 -1.71 0.00 0.00 55.69 54.68 2bbu s MET 99 Cb 0.12 0.09 0.06 0.00 2.01 0.00 0.00 34.83 37.11 2bbu s MET 99 CO 0.50 -0.21 1.08 -1.25 -0.01 0.00 0.00 175.02 175.14 2bbu s PRO 100 N 1.99 2.20 0.09 2.03 0.04 -1.26 -4.59 135.00 135.50 2bbu s PRO 100 Ca -0.05 0.87 -0.31 0.00 0.04 0.00 0.00 61.00 61.55 2bbu s PRO 100 Cb -0.11 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 2bbu s PRO 100 CO -0.11 -1.60 1.23 -1.25 0.04 0.00 0.00 177.00 175.31 2bbu s PRO 101 N -5.03 4.42 -0.59 0.56 0.04 -1.26 -4.89 135.00 128.24 2bbu s PRO 101 Ca 0.61 1.84 -0.05 0.00 0.04 0.00 0.00 61.00 63.44 2bbu s PRO 101 Cb -0.15 -3.31 -0.11 0.00 0.04 0.00 0.00 34.50 30.97 2bbu s PRO 101 CO 0.55 -0.26 2.38 -0.35 0.04 0.00 0.00 177.00 179.36 2bbu n PRO 102 N 3.68 1.91 -0.32 0.56 -0.04 -1.26 -4.88 135.00 134.64 2bbu n PRO 102 Ca 0.09 -1.18 0.04 0.00 -0.04 0.00 0.00 63.50 62.41 2bbu n PRO 102 Cb 0.45 -2.21 -0.01 0.00 -0.04 0.00 0.00 33.50 31.69 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 3.27 -1.81 3.37 0.55 0.00 -1.26 -5.00 105.19 104.31 2bbu n GLY 103 Ca 0.41 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 2bbu n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbu s THR 104 N -0.74 0.06 0.00 2.61 -4.23 -1.26 -5.07 115.64 107.01 2bbu s THR 104 Ca 0.00 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 2bbu s THR 104 Cb 0.00 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.13 2bbu s THR 104 CO 0.00 -0.29 0.00 -0.81 -0.54 0.00 0.00 174.62 172.98 2bbu n PRO 105 N -0.23 1.01 -3.57 3.99 -0.04 -1.26 -4.78 135.00 130.12 2bbu n PRO 105 Ca -0.09 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.29 2bbu n PRO 105 Cb 0.63 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.05 2bbu n PRO 105 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2bbu s SER 106 N -1.35 -0.29 0.00 3.54 0.01 -1.26 -4.94 113.70 109.42 2bbu s SER 106 Ca 0.00 0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2bbu s SER 106 Cb 0.00 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.49 2bbu s SER 106 CO 0.00 -0.34 0.00 0.49 0.41 0.00 0.00 173.24 173.80 2bbu n PHE 107 N 0.35 0.00 -4.16 2.43 3.01 -1.26 -4.50 117.46 113.32 2bbu n PHE 107 Ca -0.07 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.29 2bbu n PHE 107 Cb 0.59 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.96 2bbu n PHE 107 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2bbu s SER 108 N -4.00 0.56 0.06 4.37 0.01 -1.26 -5.06 113.70 108.37 2bbu s SER 108 Ca 0.00 -1.17 -0.30 0.00 1.31 0.00 0.00 55.95 55.79 2bbu s SER 108 Cb 0.00 0.24 -0.18 0.00 0.21 0.00 0.00 66.02 66.29 2bbu s SER 108 CO 0.00 -0.67 1.57 0.25 0.41 0.00 0.00 173.24 174.80 2bbu h LEU 109 N 2.86 -0.60 -9.66 2.44 5.85 -2.02 -3.42 115.31 110.77 2bbu h LEU 109 Ca -0.35 -0.01 -0.52 0.00 0.84 0.00 0.00 57.88 57.84 2bbu h LEU 109 Cb 1.19 0.15 0.02 0.00 0.37 0.00 0.00 40.66 42.39 2bbu h LEU 109 CO 0.61 -0.39 0.56 -2.16 -0.34 0.00 0.00 178.44 176.72 2bbu s PRO 110 N -5.84 4.49 -1.12 5.25 0.04 -1.26 -4.92 135.00 131.63 2bbu s PRO 110 Ca -0.16 1.87 -0.22 0.00 0.04 0.00 0.00 61.00 62.52 2bbu s PRO 110 Cb 0.04 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 2bbu s PRO 110 CO 0.61 -0.09 1.84 -1.25 0.04 0.00 0.00 177.00 178.15 2bbu s PRO 111 N -0.20 2.96 0.28 0.56 0.04 -1.26 -4.87 135.00 132.51 2bbu s PRO 111 Ca 0.53 -1.14 0.00 0.00 0.04 0.00 0.00 61.00 60.43 2bbu s PRO 111 Cb -0.32 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 28.94 2bbu s PRO 111 CO 0.36 -3.27 0.00 2.41 0.04 0.00 0.00 177.00 176.55 2bbu n THR 112 N 7.41 0.00 0.37 1.26 -1.04 -1.26 -4.10 114.28 116.93 2bbu n THR 112 Ca 0.43 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 62.26 2bbu n THR 112 Cb 0.47 -0.17 -0.09 0.00 -1.82 0.00 0.00 70.33 68.72 2bbu n THR 112 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2bbu h GLU 113 N 0.00 -0.95 0.00 -2.82 4.39 -2.05 -3.44 114.58 109.71 2bbu h GLU 113 Ca 0.01 0.07 -0.31 0.00 0.34 0.00 0.00 59.36 59.46 2bbu h GLU 113 Cb 0.45 0.22 0.15 0.00 -0.10 0.00 0.00 28.75 29.47 2bbu h GLU 113 CO 0.00 -0.64 0.16 -0.35 -1.16 0.00 0.00 179.01 177.03 2bbu n PRO 114 N -5.53 -2.16 -2.91 2.33 -0.04 -1.26 -5.01 135.00 120.42 2bbu n PRO 114 Ca -0.13 -1.43 -0.25 0.00 -0.04 0.00 0.00 63.50 61.65 2bbu n PRO 114 Cb 0.42 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.64 2bbu n PRO 114 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2bbu n SER 115 N -4.21 3.83 -0.35 3.54 3.41 -1.26 -4.68 113.62 113.91 2bbu n SER 115 Ca 0.12 -3.55 0.00 0.00 -0.26 0.00 0.00 58.87 55.18 2bbu n SER 115 Cb 0.45 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 2bbu n SER 115 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2bbu n SER 116 N -0.19 0.00 -3.28 4.04 7.64 -1.26 -4.97 113.62 115.59 2bbu n SER 116 Ca 0.30 -1.34 -0.30 0.00 1.01 0.00 0.00 58.87 58.55 2bbu n SER 116 Cb 0.48 -0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 2bbu n SER 116 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2bbu n GLU 117 N 0.00 2.54 -2.62 1.43 -0.00 -1.26 -4.49 120.64 116.23 2bbu n GLU 117 Ca 0.00 -1.77 -0.24 0.00 -0.00 0.00 0.00 57.16 55.15 2bbu n GLU 117 Cb 0.57 -2.64 -0.01 0.00 -0.00 0.00 0.00 31.44 29.36 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 4.24 2.25 -0.28 3.84 0.24 -1.26 -5.04 118.33 122.32 2bbu n VAL 118 Ca 0.55 -4.83 0.00 0.00 -2.04 0.00 0.00 64.34 58.02 2bbu n VAL 118 Cb 0.20 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.54 2bbu n VAL 118 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2bbu n PRO 119 N -0.35 0.26 -2.85 7.34 -0.04 -1.26 -5.05 135.00 133.05 2bbu n PRO 119 Ca 0.33 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2bbu n PRO 119 Cb 0.63 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.13 2bbu n PRO 119 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2bbu n GLU 120 N -0.58 1.06 0.15 0.54 1.02 -1.26 -4.98 120.64 116.58 2bbu n GLU 120 Ca 0.00 -2.61 -0.10 0.00 -0.02 0.00 0.00 57.16 54.43 2bbu n GLU 120 Cb 0.00 -1.09 -0.06 0.00 -0.02 0.00 0.00 31.44 30.27 2bbu n GLU 120 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2bbu h GLN 121 N 2.81 -0.43 -7.30 3.49 1.08 -1.96 -3.45 115.11 109.34 2bbu h GLN 121 Ca -0.07 0.03 -0.51 0.00 -1.45 0.00 0.00 58.65 56.65 2bbu h GLN 121 Cb 1.11 0.10 0.10 0.00 -0.05 0.00 0.00 27.48 28.74 2bbu h GLN 121 CO 0.28 -0.15 0.36 -1.25 -0.95 0.00 0.00 178.83 177.11 2bbu s PRO 122 N -3.53 2.78 0.00 1.46 0.04 -1.26 -4.92 135.00 129.57 2bbu s PRO 122 Ca -0.10 1.08 0.20 0.00 0.04 0.00 0.00 61.00 62.21 2bbu s PRO 122 Cb 0.01 -1.97 0.96 0.00 0.04 0.00 0.00 34.50 33.54 2bbu s PRO 122 CO 0.35 -1.23 1.62 -0.35 0.04 0.00 0.00 177.00 177.44 2bbu n PRO 123 N -3.06 0.20 -0.61 0.56 -0.04 -1.26 -4.83 135.00 125.97 2bbu n PRO 123 Ca 0.08 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2bbu n PRO 123 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.35 0.00 -0.02 0.55 0.00 -1.26 -5.11 120.51 113.32 2bbu n ALA 124 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.47 2bbu n ALA 124 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 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 0.25 0.01 0.00 0.00 -1.26 -4.93 117.38 111.45 2bbu n GLN 125 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.00 57.10 2bbu n GLN 125 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 30.24 29.31 2bbu n GLN 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2bbu n ALA 126 N -3.91 0.00 -3.56 1.69 0.00 -1.26 -5.08 120.51 108.39 2bbu n ALA 126 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.07 2bbu n ALA 126 Cb 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.58 2bbu n ALA 126 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2bbu s LEU 127 N -4.85 0.54 0.33 0.00 2.96 -1.26 -4.97 118.68 111.42 2bbu s LEU 127 Ca 0.00 -1.15 0.26 0.00 -0.22 0.00 0.00 54.13 53.02 2bbu s LEU 127 Cb 0.00 -0.34 0.97 0.00 0.50 0.00 0.00 46.19 47.32 2bbu s LEU 127 CO 0.00 -0.42 1.78 1.55 -1.32 0.00 0.00 176.35 177.94 2bbu h PRO 128 N 8.40 0.00 0.00 0.98 0.13 -2.01 -3.44 132.00 136.07 2bbu h PRO 128 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 2bbu h PRO 128 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2bbu h PRO 128 CO 0.41 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.59 2bbu n GLY 129 N 0.42 3.31 0.09 1.56 0.00 -1.26 -4.88 105.19 104.42 2bbu n GLY 129 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 2bbu n GLY 129 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2bbu h SER 130 N 0.02 0.01 0.58 1.61 0.02 -1.93 -3.31 113.55 110.55 2bbu h SER 130 Ca 0.00 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 2bbu h SER 130 Cb 0.00 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 2bbu h SER 130 CO 0.00 0.85 -0.39 0.71 -1.14 0.00 0.00 176.83 176.86 2bbu h THR 131 N 0.00 0.21 -4.14 -2.27 1.35 -1.97 -3.42 112.91 102.67 2bbu h THR 131 Ca -0.01 0.00 -0.49 0.00 -0.55 0.00 0.00 66.41 65.36 2bbu h THR 131 Cb 1.50 0.21 0.06 0.00 -1.73 0.00 0.00 68.15 68.19 2bbu h THR 131 CO 0.11 0.00 0.39 -2.16 -0.25 0.00 0.00 175.52 173.61 2bbu s PRO 132 N -6.00 3.40 0.14 4.72 0.04 -1.25 -4.94 135.00 131.11 2bbu s PRO 132 Ca -0.18 1.34 0.26 0.00 0.04 0.00 0.00 61.00 62.47 2bbu s PRO 132 Cb 0.04 -2.03 0.94 0.00 0.04 0.00 0.00 34.50 33.49 2bbu s PRO 132 CO 0.62 -0.77 1.79 1.63 0.04 0.00 0.00 177.00 180.32 2bbu n LYS 133 N -1.65 0.17 -1.59 4.56 4.76 -1.26 -4.84 118.16 118.30 2bbu n LYS 133 Ca 0.10 0.18 -0.62 0.00 -2.87 0.00 0.00 58.31 55.09 2bbu n LYS 133 Cb 0.52 -1.71 -0.10 0.00 -1.84 0.00 0.00 35.03 31.91 2bbu n LYS 133 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2bbu n ARG 134 N -2.00 0.35 -3.17 1.97 3.00 -1.26 -4.87 116.66 110.68 2bbu n ARG 134 Ca 0.05 0.12 0.05 0.00 -0.01 0.00 0.00 57.85 58.06 2bbu n ARG 134 Cb 0.37 -1.71 -0.02 0.00 0.00 0.00 0.00 32.46 31.09 2bbu n ARG 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bbu s ALA 135 N 4.22 -3.53 -0.25 7.54 0.00 -1.26 -4.93 121.76 123.55 2bbu s ALA 135 Ca 1.08 1.46 -0.09 0.00 0.00 0.00 0.00 51.96 54.40 2bbu s ALA 135 Cb -1.35 -2.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 2bbu s ALA 135 CO 0.72 -1.39 0.12 -0.47 0.00 0.00 0.00 175.76 174.74 2bbu s TYR 136 N 2.84 3.17 0.23 0.00 5.04 -1.25 -5.03 117.35 122.34 2bbu s TYR 136 Ca -0.04 -0.11 -0.21 0.00 -2.44 0.00 0.00 57.07 54.28 2bbu s TYR 136 Cb -0.08 -2.28 0.04 0.00 0.35 0.00 0.00 41.96 39.98 2bbu s TYR 136 CO -0.11 -0.19 0.64 1.52 -1.34 0.00 0.00 175.55 176.07 2bbu s TYR 137 N 1.50 -0.27 -0.11 4.97 -0.85 -1.26 -1.83 117.35 119.51 2bbu s TYR 137 Ca 0.06 -0.09 0.02 0.00 -0.52 0.00 0.00 57.07 56.55 2bbu s TYR 137 Cb -0.15 0.59 0.01 0.00 0.38 0.00 0.00 41.96 42.79 2bbu s TYR 137 CO 0.06 -1.05 -0.18 0.42 -1.52 0.00 0.00 175.55 173.28 2bbu s ILE 138 N -3.86 1.69 -0.52 -3.49 1.01 -0.78 -4.80 121.20 110.44 2bbu s ILE 138 Ca 0.08 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.70 2bbu s ILE 138 Cb -0.03 -1.51 0.03 0.00 0.01 0.00 0.00 42.46 40.96 2bbu s ILE 138 CO -0.01 0.48 1.03 -0.72 0.00 0.00 0.00 174.94 175.72 2bbu s TYR 139 N 0.79 2.78 0.00 3.97 -0.85 -1.26 -2.97 117.35 119.81 2bbu s TYR 139 Ca -0.10 0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.76 2bbu s TYR 139 Cb -0.16 -4.22 0.00 0.00 0.38 0.00 0.00 41.96 37.96 2bbu s TYR 139 CO 0.01 -1.34 0.00 -1.13 -1.52 0.00 0.00 175.55 171.57 2bbu n SER 140 N 7.71 0.00 -3.73 -0.18 3.41 -0.67 -4.36 113.62 115.80 2bbu n SER 140 Ca 0.06 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.40 2bbu n SER 140 Cb 0.48 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 2bbu n SER 140 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2bbu s GLY 141 N 0.00 2.34 0.00 5.00 0.00 -1.26 -4.76 107.32 108.64 2bbu s GLY 141 Ca 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 44.72 41.36 2bbu s GLY 141 CO 0.00 1.44 0.00 0.61 0.00 0.00 0.00 173.10 175.15 2bbu n GLY 142 N 2.28 1.42 3.27 0.20 0.00 -1.26 -5.01 105.19 106.10 2bbu n GLY 142 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2bbu n GLY 142 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bbu s GLU 143 N -0.45 3.29 -0.48 1.61 2.12 -1.26 -5.07 118.70 118.46 2bbu s GLU 143 Ca 0.00 -0.68 -0.29 0.00 0.36 0.00 0.00 54.97 54.37 2bbu s GLU 143 Cb 0.00 -2.86 0.02 0.00 0.26 0.00 0.00 34.13 31.55 2bbu s GLU 143 CO 0.00 -0.15 1.33 0.15 -0.54 0.00 0.00 175.26 176.05 2bbu s LYS 144 N 1.29 3.53 -0.16 4.30 1.02 -1.26 -1.68 119.74 126.79 2bbu s LYS 144 Ca 0.03 0.67 -0.06 0.00 0.02 0.00 0.00 55.97 56.63 2bbu s LYS 144 Cb -0.14 -4.02 -0.04 0.00 -0.52 0.00 0.00 37.83 33.11 2bbu s LYS 144 CO -0.04 -1.63 0.05 0.42 -0.92 0.00 0.00 175.35 173.23 2bbu s ILE 145 N 5.33 4.71 0.05 2.17 1.09 -1.16 -4.91 121.20 128.48 2bbu s ILE 145 Ca 0.54 -0.07 -0.31 0.00 -1.10 0.00 0.00 60.65 59.72 2bbu s ILE 145 Cb -0.11 -3.09 -0.06 0.00 -1.06 0.00 0.00 42.46 38.14 2bbu s ILE 145 CO 0.30 0.50 1.32 -2.16 -0.10 0.00 0.00 174.94 174.80 2bbu s PRO 146 N 0.04 4.34 -0.32 2.79 0.04 -1.26 -1.86 135.00 138.77 2bbu s PRO 146 Ca 0.05 1.92 0.02 0.00 0.04 0.00 0.00 61.00 63.04 2bbu s PRO 146 Cb -0.12 -3.40 0.09 0.00 0.04 0.00 0.00 34.50 31.11 2bbu s PRO 146 CO 0.01 -0.43 0.04 -0.51 0.04 0.00 0.00 177.00 176.16 2bbu s LEU 147 N 1.57 3.82 -0.31 -3.56 1.02 -0.76 -4.84 118.68 115.62 2bbu s LEU 147 Ca 0.62 -1.89 -0.13 0.00 0.02 0.00 0.00 54.13 52.75 2bbu s LEU 147 Cb -0.32 -1.38 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 2bbu s LEU 147 CO 0.28 -0.37 0.27 -0.69 0.02 0.00 0.00 176.35 175.86 2bbu s VAL 148 N 1.15 5.25 -0.36 -1.59 1.01 -1.25 -4.00 120.40 120.61 2bbu s VAL 148 Ca 0.08 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 61.88 2bbu s VAL 148 Cb -0.19 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2bbu s VAL 148 CO -0.12 0.10 1.11 -0.76 0.00 0.00 0.00 175.10 175.42 2bbu s LEU 149 N 1.85 3.86 0.00 3.92 1.02 -1.26 -4.80 118.68 123.28 2bbu s LEU 149 Ca 0.09 0.92 0.00 0.00 0.02 0.00 0.00 54.13 55.16 2bbu s LEU 149 Cb -0.16 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.50 2bbu s LEU 149 CO 0.11 -0.98 0.00 -0.24 0.02 0.00 0.00 176.35 175.26 2bbu n SER 150 N 7.15 2.70 -4.68 2.29 2.88 -1.26 -4.81 113.62 117.90 2bbu n SER 150 Ca 0.12 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.25 2bbu n SER 150 Cb 0.47 0.43 -0.05 0.00 -0.75 0.00 0.00 64.21 64.32 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 -1.26 4.31 0.02 -1.46 1.81 -1.25 -5.02 118.95 116.10 2bbu s ARG 151 Ca 0.00 0.90 -0.30 0.00 -1.72 0.00 0.00 55.73 54.61 2bbu s ARG 151 Cb 0.00 -3.55 -0.05 0.00 -0.45 0.00 0.00 34.95 30.90 2bbu s ARG 151 CO 0.00 -0.23 1.20 -1.25 -0.68 0.00 0.00 175.30 174.34 2bbu s PRO 152 N 1.82 4.41 0.85 3.54 0.04 -1.26 -2.59 135.00 141.80 2bbu s PRO 152 Ca 0.36 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 63.01 2bbu s PRO 152 Cb -0.17 -3.43 0.11 0.00 0.04 0.00 0.00 34.50 31.05 2bbu s PRO 152 CO 0.13 -0.32 1.16 -0.48 0.04 0.00 0.00 177.00 177.53 2bbu s LEU 153 N 1.49 3.00 -0.80 -3.56 -0.00 -1.17 -4.85 118.68 112.79 2bbu s LEU 153 Ca 0.58 2.21 -0.00 0.00 -0.00 0.00 0.00 54.13 56.92 2bbu s LEU 153 Cb -0.28 -4.57 0.20 0.00 -0.00 0.00 0.00 46.19 41.54 2bbu s LEU 153 CO 0.27 -2.77 0.65 -0.55 -0.00 0.00 0.00 176.35 173.95 2bbu s SER 154 N -2.54 5.58 -0.77 1.48 0.15 -1.26 -4.91 113.70 111.43 2bbu s SER 154 Ca 0.69 -3.57 -0.25 0.00 0.70 0.00 0.00 55.95 53.51 2bbu s SER 154 Cb -0.24 -1.84 -0.02 0.00 -1.71 0.00 0.00 66.02 62.21 2bbu s SER 154 CO 0.54 -0.20 1.82 -0.44 1.20 0.00 0.00 173.24 176.16 2bbu s SER 155 N -0.25 5.37 0.00 5.45 0.01 -1.26 -5.14 113.70 117.88 2bbu s SER 155 Ca 0.25 -0.26 0.27 0.00 1.31 0.00 0.00 55.95 57.51 2bbu s SER 155 Cb -0.10 -2.55 0.74 0.00 0.21 0.00 0.00 66.02 64.32 2bbu s SER 155 CO -0.11 -2.43 1.57 -0.46 0.41 0.00 0.00 173.24 172.22