#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 0.76 -0.64 4.31 -0.00 -1.83 -0.05 116.97 119.52 2bbu h TYR 2 Ca 0.00 0.02 0.13 0.00 0.00 0.00 0.00 58.73 58.89 2bbu h TYR 2 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 36.73 36.45 2bbu h TYR 2 CO 0.00 0.34 0.44 0.37 -0.00 0.00 0.00 178.16 179.31 2bbu h GLN 3 N 0.70 0.29 -0.51 0.10 4.15 -1.95 -1.13 115.11 116.76 2bbu h GLN 3 Ca 0.38 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.76 2bbu h GLN 3 Cb 0.52 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 2bbu h GLN 3 CO -0.15 0.19 0.25 -0.07 -1.93 0.00 0.00 178.83 177.12 2bbu h LEU 4 N 0.30 0.67 -0.14 -2.39 3.38 -1.42 0.40 115.31 116.11 2bbu h LEU 4 Ca 0.31 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2bbu h LEU 4 Cb 0.80 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2bbu h LEU 4 CO -0.07 0.61 0.06 0.58 0.09 0.00 0.00 178.44 179.70 2bbu h VAL 5 N 0.68 1.15 0.05 1.22 2.07 -1.28 0.42 116.25 120.57 2bbu h VAL 5 Ca 0.18 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 2bbu h VAL 5 Cb 0.11 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2bbu h VAL 5 CO -0.02 0.14 -0.02 0.58 0.02 0.00 0.00 177.57 178.26 2bbu h VAL 6 N 0.07 1.00 -0.51 2.57 2.07 -1.33 0.88 116.25 121.00 2bbu h VAL 6 Ca 0.05 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 2bbu h VAL 6 Cb 0.17 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2bbu h VAL 6 CO -0.00 0.04 0.25 -1.13 0.02 0.00 0.00 177.57 176.74 2bbu h ASN 7 N -0.14 0.66 -0.31 0.57 -0.73 -0.84 -0.38 115.58 114.41 2bbu h ASN 7 Ca -0.01 -0.13 -0.06 0.00 1.87 0.00 0.00 56.30 57.97 2bbu h ASN 7 Cb 0.12 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.53 2bbu h ASN 7 CO 0.01 0.61 -0.05 0.00 -0.37 0.00 0.00 177.43 177.63 2bbu h ALA 8 N 1.09 0.42 -1.00 1.57 0.00 0.06 -2.80 119.26 118.61 2bbu h ALA 8 Ca 0.17 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2bbu h ALA 8 Cb 0.12 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2bbu h ALA 8 CO -0.02 0.22 0.65 0.28 0.00 0.00 0.00 179.25 180.38 2bbu h VAL 9 N 0.36 1.13 -0.38 0.00 2.07 0.10 0.38 116.25 119.91 2bbu h VAL 9 Ca 0.08 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.24 2bbu h VAL 9 Cb 0.52 -0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.05 2bbu h VAL 9 CO 0.03 0.22 0.10 -0.09 0.02 0.00 0.00 177.57 177.84 2bbu h ARG 10 N 1.21 0.23 -0.06 1.57 1.12 -0.81 1.77 114.38 119.41 2bbu h ARG 10 Ca 0.41 -0.01 -0.21 0.00 -1.11 0.00 0.00 59.98 59.06 2bbu h ARG 10 Cb 0.09 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.00 2bbu h ARG 10 CO -0.15 0.15 -0.84 -0.22 -3.11 0.00 0.00 179.97 175.80 2bbu h LYS 11 N 0.23 0.50 -0.16 0.20 1.63 -1.15 -1.71 116.57 116.12 2bbu h LYS 11 Ca 0.18 -0.46 -0.12 0.00 -0.85 0.00 0.00 60.65 59.40 2bbu h LYS 11 Cb 0.19 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2bbu h LYS 11 CO -0.21 1.10 -0.36 -0.07 -3.45 0.00 0.00 179.45 176.46 2bbu h LEU 12 N 0.32 0.59 -0.94 5.20 3.38 0.31 -3.16 115.31 121.00 2bbu h LEU 12 Ca -0.06 -0.57 -0.10 0.00 0.09 0.00 0.00 57.88 57.24 2bbu h LEU 12 Cb 1.46 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2bbu h LEU 12 CO 0.15 1.05 -0.31 0.06 0.09 0.00 0.00 178.44 179.48 2bbu h GLN 13 N 0.15 0.40 -0.57 1.13 3.07 0.26 -2.75 115.11 116.81 2bbu h GLN 13 Ca -0.00 -0.16 0.06 0.00 0.09 0.00 0.00 58.65 58.63 2bbu h GLN 13 Cb 0.96 -0.02 -0.03 0.00 0.08 0.00 0.00 27.48 28.47 2bbu h GLN 13 CO 0.08 0.67 0.38 0.93 0.09 0.00 0.00 178.83 180.98 2bbu h GLU 14 N 0.34 0.53 -0.68 0.06 4.39 -1.28 -0.67 114.58 117.28 2bbu h GLU 14 Ca 0.04 -0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.82 2bbu h GLU 14 Cb 0.72 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 2bbu h GLU 14 CO 0.06 0.35 0.45 0.77 -1.16 0.00 0.00 179.01 179.48 2bbu h SER 15 N 0.55 0.47 0.00 1.42 0.02 -1.46 -3.46 113.55 111.10 2bbu h SER 15 Ca 0.24 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2bbu h SER 15 Cb 0.26 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2bbu h SER 15 CO -0.07 0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.51 2bbu n GLY 16 N -1.49 1.92 2.79 -3.77 0.00 -0.26 -4.69 105.19 99.69 2bbu n GLY 16 Ca 0.11 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.05 0.26 -4.09 1.61 -1.74 -1.26 -2.04 117.46 109.15 2bbu n PHE 17 Ca 0.00 -2.03 -0.32 0.00 -0.56 0.00 0.00 57.45 54.54 2bbu n PHE 17 Cb 0.00 0.31 -0.16 0.00 1.52 0.00 0.00 39.48 41.15 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 -2.62 2.93 0.34 2.97 6.14 -1.26 -4.57 117.35 121.28 2bbu s TYR 18 Ca 0.22 -1.90 -0.26 0.00 0.64 0.00 0.00 57.07 55.77 2bbu s TYR 18 Cb 0.36 -1.90 -0.09 0.00 0.42 0.00 0.00 41.96 40.75 2bbu s TYR 18 CO -0.07 -0.83 1.01 -1.58 0.64 0.00 0.00 175.55 174.72 2bbu s TRP 19 N 1.23 3.53 0.00 4.97 0.52 -1.18 -4.98 118.94 123.03 2bbu s TRP 19 Ca -0.01 1.72 0.00 0.00 0.02 0.00 0.00 56.10 57.84 2bbu s TRP 19 Cb -0.16 -3.06 0.00 0.00 -1.15 0.00 0.00 33.47 29.10 2bbu s TRP 19 CO -0.10 -0.22 0.00 0.45 0.02 0.00 0.00 176.95 177.10 2bbu n SER 20 N 0.46 0.00 0.00 2.95 2.88 -1.26 -3.90 113.62 114.75 2bbu n SER 20 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2bbu n SER 20 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 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 0.42 120.51 114.21 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 1.33 0.00 0.00 0.00 177.50 178.83 2bbu n VAL 22 N 0.00 0.00 -3.87 0.00 0.24 -1.26 -4.80 118.33 108.64 2bbu n VAL 22 Ca 0.00 0.13 -0.22 0.00 -2.04 0.00 0.00 64.34 62.21 2bbu n VAL 22 Cb 0.00 -0.80 -0.04 0.00 -1.47 0.00 0.00 33.84 31.52 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 0.00 3.23 0.00 3.34 2.01 -1.26 -4.90 115.64 118.06 2bbu s THR 23 Ca 0.00 -1.47 0.00 0.00 0.31 0.00 0.00 61.69 60.53 2bbu s THR 23 Cb 0.00 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.41 2bbu s THR 23 CO 0.00 -0.15 0.54 0.61 -0.69 0.00 0.00 174.62 174.93 2bbu n GLY 24 N -1.33 -3.52 0.07 4.40 0.00 -1.26 -1.64 105.19 101.90 2bbu n GLY 24 Ca -0.01 0.65 -0.07 0.00 0.00 0.00 0.00 46.02 46.58 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 1.78 -0.02 0.00 -2.00 -3.28 103.07 99.58 2bbu h GLY 25 Ca 0.00 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 47.28 2bbu h GLY 25 CO 0.00 0.06 0.09 0.83 0.00 0.00 0.00 176.54 177.53 2bbu h GLU 26 N 0.01 0.00 0.00 4.80 4.39 -1.95 0.44 114.58 122.27 2bbu h GLU 26 Ca -0.02 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2bbu h GLU 26 Cb 1.74 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.39 2bbu h GLU 26 CO 0.13 0.00 -0.02 0.00 -1.16 0.00 0.00 179.01 177.96 2bbu h ALA 27 N 1.88 0.00 -0.01 3.43 0.00 -1.36 -2.31 119.26 120.90 2bbu h ALA 27 Ca 0.03 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2bbu h ALA 27 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2bbu h ALA 27 CO -0.00 -0.08 -0.02 -2.95 0.00 0.00 0.00 179.25 176.20 2bbu h ASN 28 N -0.78 0.03 0.06 0.00 7.08 -1.52 -3.26 115.58 117.21 2bbu h ASN 28 Ca -0.00 -0.56 -0.04 0.00 -3.08 0.00 0.00 56.30 52.62 2bbu h ASN 28 Cb 0.82 -0.01 -0.01 0.00 -2.08 0.00 0.00 38.32 37.04 2bbu h ASN 28 CO 0.00 0.58 -0.12 -0.07 -2.08 0.00 0.00 177.43 175.75 2bbu h LEU 29 N -0.52 0.12 -2.04 6.14 4.07 -0.30 -2.42 115.31 120.36 2bbu h LEU 29 Ca 0.00 -0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.00 2bbu h LEU 29 Cb 0.58 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 2bbu h LEU 29 CO 0.00 0.26 0.36 0.25 -1.08 0.00 0.00 178.44 178.23 2bbu h LEU 30 N 0.13 0.00 -0.95 1.67 5.85 -1.45 0.25 115.31 120.81 2bbu h LEU 30 Ca 0.03 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2bbu h LEU 30 Cb 0.29 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2bbu h LEU 30 CO 0.02 0.00 0.46 -0.07 -0.34 0.00 0.00 178.44 178.50 2bbu h LEU 31 N 0.00 1.08 -0.96 2.25 3.38 -1.59 -0.77 115.31 118.70 2bbu h LEU 31 Ca 0.10 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 2bbu h LEU 31 Cb 0.82 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2bbu h LEU 31 CO -0.00 0.88 -0.43 0.77 0.09 0.00 0.00 178.44 179.75 2bbu h SER 32 N 1.20 0.20 1.96 -0.43 4.64 -0.69 -0.40 113.55 120.03 2bbu h SER 32 Ca 0.30 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.53 2bbu h SER 32 Cb 0.05 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2bbu h SER 32 CO -0.05 0.61 -0.04 0.00 -0.87 0.00 0.00 176.83 176.48 2bbu h ALA 33 N 1.40 0.97 -3.00 5.18 0.00 -1.26 -3.39 119.26 119.16 2bbu h ALA 33 Ca 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2bbu h ALA 33 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2bbu h ALA 33 CO 0.06 0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.75 2bbu n GLU 34 N -3.11 0.00 -1.49 0.00 -0.58 -0.37 -4.88 120.64 110.21 2bbu n GLU 34 Ca 0.04 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.37 2bbu n GLU 34 Cb 0.54 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 -0.88 2.57 -1.57 3.49 -0.04 -0.26 -4.95 135.00 133.35 2bbu n PRO 35 Ca 0.00 -2.31 -0.44 0.00 -0.04 0.00 0.00 63.50 60.72 2bbu n PRO 35 Cb 0.00 -3.10 -0.01 0.00 -0.04 0.00 0.00 33.50 30.35 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 6.07 -0.41 -1.62 0.55 0.00 -0.60 -1.08 120.51 123.42 2bbu n ALA 36 Ca 0.54 0.33 -0.09 0.00 0.00 0.00 0.00 53.44 54.22 2bbu n ALA 36 Cb 0.36 -1.98 -0.02 0.00 0.00 0.00 0.00 19.45 17.80 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 1.31 0.64 3.25 0.00 0.00 -1.26 -5.00 105.19 104.12 2bbu n GLY 37 Ca 0.10 -0.59 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.37 1.58 0.08 2.61 2.01 -0.24 -4.18 115.64 115.13 2bbu s THR 38 Ca 0.00 -1.31 0.09 0.00 0.31 0.00 0.00 61.69 60.78 2bbu s THR 38 Cb 0.00 -1.41 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 2bbu s THR 38 CO 0.00 0.06 -0.23 0.72 -0.69 0.00 0.00 174.62 174.48 2bbu s PHE 39 N -0.96 2.01 0.08 4.92 -0.12 -0.42 -4.06 117.98 119.43 2bbu s PHE 39 Ca 0.06 -0.39 -0.07 0.00 -0.05 0.00 0.00 56.93 56.48 2bbu s PHE 39 Cb -0.09 -1.15 -0.01 0.00 -0.63 0.00 0.00 43.02 41.13 2bbu s PHE 39 CO 0.03 0.18 0.14 -1.17 -0.05 0.00 0.00 175.22 174.34 2bbu s LEU 40 N -1.55 1.67 -0.07 -1.99 0.20 -1.20 -2.37 118.68 113.38 2bbu s LEU 40 Ca 0.09 -0.72 0.03 0.00 0.69 0.00 0.00 54.13 54.22 2bbu s LEU 40 Cb -0.10 0.83 -0.02 0.00 -0.43 0.00 0.00 46.19 46.47 2bbu s LEU 40 CO 0.03 -0.69 -0.14 -0.51 -0.29 0.00 0.00 176.35 174.75 2bbu s ILE 41 N -3.80 3.03 -0.12 6.68 2.07 -1.26 -2.87 121.20 124.93 2bbu s ILE 41 Ca 0.05 -0.72 -0.00 0.00 -1.41 0.00 0.00 60.65 58.56 2bbu s ILE 41 Cb 0.05 -2.20 -0.02 0.00 0.13 0.00 0.00 42.46 40.42 2bbu s ILE 41 CO -0.10 0.58 -0.11 0.00 -1.91 0.00 0.00 174.94 173.40 2bbu s ARG 42 N -0.50 3.31 -0.29 3.50 1.04 0.79 -3.10 118.95 123.70 2bbu s ARG 42 Ca 0.07 -0.64 -0.21 0.00 -1.04 0.00 0.00 55.73 53.91 2bbu s ARG 42 Cb -0.12 -2.67 -0.01 0.00 -2.04 0.00 0.00 34.95 30.12 2bbu s ARG 42 CO 0.02 0.30 0.66 0.34 -0.04 0.00 0.00 175.30 176.58 2bbu s ASP 43 N 0.15 6.56 0.51 -2.89 2.15 0.17 -0.51 116.67 122.80 2bbu s ASP 43 Ca -0.05 0.57 0.30 0.00 0.43 0.00 0.00 52.55 53.80 2bbu s ASP 43 Cb -0.15 -2.35 1.24 0.00 -0.30 0.00 0.00 42.92 41.36 2bbu s ASP 43 CO 0.04 -0.47 1.95 -1.28 -0.17 0.00 0.00 175.17 175.24 2bbu h SER 44 N 8.07 0.00 -6.30 -0.34 0.87 0.41 -3.40 113.55 112.85 2bbu h SER 44 Ca -0.26 0.00 -0.27 0.00 -1.23 0.00 0.00 61.79 60.03 2bbu h SER 44 Cb 1.11 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.09 2bbu h SER 44 CO 0.81 0.10 -1.08 -1.54 -0.53 0.00 0.00 176.83 174.59 2bbu n SER 45 N -3.27 -6.09 0.00 6.23 3.41 -1.26 -4.89 113.62 107.75 2bbu n SER 45 Ca 0.00 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2bbu n SER 45 Cb 0.34 -2.31 0.00 0.00 -0.26 0.00 0.00 64.21 61.98 2bbu n SER 45 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2bbu n ASP 46 N 0.04 0.00 -0.02 4.04 8.00 -1.26 -5.02 116.55 122.33 2bbu n ASP 46 Ca -0.04 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.31 2bbu n ASP 46 Cb 0.60 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.56 2bbu n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bbu n GLN 47 N 0.00 0.70 0.00 -1.24 1.13 -1.26 -4.59 117.38 112.12 2bbu n GLN 47 Ca 0.00 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.32 2bbu n GLN 47 Cb 0.00 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 28.62 2bbu n GLN 47 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2bbu n ARG 48 N -3.25 0.14 0.00 -1.09 1.74 -1.26 -4.42 116.66 108.52 2bbu n ARG 48 Ca -0.26 -0.36 0.00 0.00 -0.77 0.00 0.00 57.85 56.46 2bbu n ARG 48 Cb 1.05 -0.60 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 2bbu n ARG 48 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 2bbu n HIS 49 N -0.04 0.00 -0.54 -1.55 -0.00 -1.26 -4.69 115.22 107.14 2bbu n HIS 49 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2bbu n HIS 49 Cb 0.31 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.18 2bbu n HIS 49 CO 0.00 0.00 0.00 1.97 0.46 0.00 0.00 176.34 178.77 2bbu n PHE 50 N 0.00 0.00 -4.30 1.57 1.16 -1.26 -4.66 117.46 109.97 2bbu n PHE 50 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.30 2bbu n PHE 50 Cb 0.00 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.77 2bbu n PHE 50 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 2bbu s PHE 51 N -3.83 2.58 -0.04 2.97 -0.12 -1.26 0.10 117.98 118.39 2bbu s PHE 51 Ca 0.00 -0.24 0.04 0.00 -0.05 0.00 0.00 56.93 56.69 2bbu s PHE 51 Cb 0.00 -1.32 -0.00 0.00 -0.63 0.00 0.00 43.02 41.06 2bbu s PHE 51 CO 0.00 0.45 -0.17 0.99 -0.05 0.00 0.00 175.22 176.43 2bbu s THR 52 N -1.40 1.44 -0.15 -4.49 2.01 0.33 -3.30 115.64 110.09 2bbu s THR 52 Ca 0.21 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.50 2bbu s THR 52 Cb -0.10 -1.23 0.01 0.00 0.01 0.00 0.00 72.50 71.19 2bbu s THR 52 CO 0.12 0.41 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.05 2bbu s LEU 53 N -0.01 2.05 0.04 4.42 2.96 0.24 -0.15 118.68 128.24 2bbu s LEU 53 Ca -0.03 -0.59 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 2bbu s LEU 53 Cb -0.11 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 2bbu s LEU 53 CO 0.02 0.04 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.52 2bbu s SER 54 N 1.01 0.37 0.32 3.68 0.15 -1.14 -3.39 113.70 114.69 2bbu s SER 54 Ca -0.03 -0.77 0.03 0.00 0.70 0.00 0.00 55.95 55.89 2bbu s SER 54 Cb -0.15 0.16 -0.04 0.00 -1.71 0.00 0.00 66.02 64.29 2bbu s SER 54 CO -0.06 -0.48 0.15 0.54 1.20 0.00 0.00 173.24 174.60 2bbu s VAL 55 N -2.86 0.42 -0.15 4.45 0.11 -1.26 -3.22 120.40 117.88 2bbu s VAL 55 Ca -0.03 -2.00 -0.06 0.00 -2.93 0.00 0.00 61.98 56.96 2bbu s VAL 55 Cb 0.00 -2.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.30 2bbu s VAL 55 CO -0.06 0.00 0.07 -0.75 -3.33 0.00 0.00 175.10 171.03 2bbu s LYS 56 N -3.80 3.71 0.00 1.54 2.20 -1.26 -4.21 119.74 117.91 2bbu s LYS 56 Ca 0.34 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 2bbu s LYS 56 Cb 0.05 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 2bbu s LYS 56 CO 0.17 0.45 0.00 -2.37 -0.36 0.00 0.00 175.35 173.24 2bbu n THR 57 N 2.98 0.00 -0.06 3.43 5.66 -1.25 -4.49 114.28 120.55 2bbu n THR 57 Ca -0.18 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.78 2bbu n THR 57 Cb 0.53 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.28 2bbu n THR 57 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 2bbu h GLN 58 N 0.00 0.00 -0.46 1.09 4.20 -1.97 -3.39 115.11 114.58 2bbu h GLN 58 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 2bbu h GLN 58 Cb 0.00 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.70 2bbu h GLN 58 CO 0.00 0.16 -0.49 0.77 -0.67 0.00 0.00 178.83 178.61 2bbu h SER 59 N -1.00 -1.66 -5.95 1.46 0.02 -1.96 -3.46 113.55 101.00 2bbu h SER 59 Ca -0.02 0.23 0.39 0.00 -0.84 0.00 0.00 61.79 61.54 2bbu h SER 59 Cb 0.33 0.69 -0.12 0.00 0.14 0.00 0.00 62.40 63.44 2bbu h SER 59 CO -0.01 -0.32 0.97 -0.83 -1.14 0.00 0.00 176.83 175.50 2bbu s GLY 60 N -2.18 -0.40 -0.43 -3.77 0.00 -1.26 -5.08 107.32 94.19 2bbu s GLY 60 Ca -0.12 0.69 -0.16 0.00 0.00 0.00 0.00 44.72 45.14 2bbu s GLY 60 CO 0.53 2.05 0.35 -0.51 0.00 0.00 0.00 173.10 175.52 2bbu s THR 61 N -2.07 5.22 0.54 0.90 -4.23 -1.26 -3.91 115.64 110.83 2bbu s THR 61 Ca 0.20 -0.69 0.06 0.00 -1.18 0.00 0.00 61.69 60.08 2bbu s THR 61 Cb 0.05 -3.99 0.04 0.00 1.34 0.00 0.00 72.50 69.94 2bbu s THR 61 CO -0.05 -0.39 0.45 -0.54 -0.54 0.00 0.00 174.62 173.55 2bbu s LYS 62 N 1.76 2.28 -0.05 3.99 -0.14 -1.26 -4.99 119.74 121.33 2bbu s LYS 62 Ca 0.06 -1.94 0.03 0.00 -1.36 0.00 0.00 55.97 52.76 2bbu s LYS 62 Cb -0.20 -2.19 0.01 0.00 -1.68 0.00 0.00 37.83 33.77 2bbu s LYS 62 CO 0.10 -0.61 -0.13 -0.80 -0.76 0.00 0.00 175.35 173.15 2bbu s ASN 63 N -4.31 1.81 0.08 2.83 0.01 -1.26 -4.27 114.94 109.82 2bbu s ASN 63 Ca 0.39 -0.30 0.05 0.00 -0.71 0.00 0.00 52.86 52.28 2bbu s ASN 63 Cb -0.03 -0.69 -0.03 0.00 0.41 0.00 0.00 41.25 40.92 2bbu s ASN 63 CO 0.24 0.07 -0.12 -0.76 -1.51 0.00 0.00 177.10 175.02 2bbu s LEU 64 N 0.40 2.33 0.21 0.60 1.43 -1.22 -5.01 118.68 117.43 2bbu s LEU 64 Ca -0.10 -0.69 -0.09 0.00 -1.03 0.00 0.00 54.13 52.22 2bbu s LEU 64 Cb -0.13 -0.43 -0.01 0.00 0.03 0.00 0.00 46.19 45.65 2bbu s LEU 64 CO 0.03 -0.15 0.34 0.00 0.23 0.00 0.00 176.35 176.80 2bbu s ARG 65 N -2.14 1.35 0.40 1.70 1.04 -1.26 0.83 118.95 120.86 2bbu s ARG 65 Ca 0.01 -1.31 -0.24 0.00 -1.04 0.00 0.00 55.73 53.16 2bbu s ARG 65 Cb -0.07 0.40 -0.09 0.00 -2.04 0.00 0.00 34.95 33.14 2bbu s ARG 65 CO 0.02 -0.52 1.01 0.42 -0.04 0.00 0.00 175.30 176.19 2bbu s ILE 66 N -4.03 3.92 0.12 4.99 -1.09 -1.21 -4.69 121.20 119.21 2bbu s ILE 66 Ca 0.24 1.42 0.08 0.00 -2.23 0.00 0.00 60.65 60.16 2bbu s ILE 66 Cb 0.02 -3.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2bbu s ILE 66 CO 0.07 -0.04 -0.13 -1.58 -1.23 0.00 0.00 174.94 172.02 2bbu s GLN 67 N -2.60 1.99 -0.04 2.79 0.74 0.75 -4.84 119.66 118.44 2bbu s GLN 67 Ca 0.58 -1.13 -0.21 0.00 0.05 0.00 0.00 55.36 54.66 2bbu s GLN 67 Cb -0.19 -2.21 -0.05 0.00 1.10 0.00 0.00 33.01 31.67 2bbu s GLN 67 CO 0.24 0.48 0.59 0.00 -0.55 0.00 0.00 175.29 176.05 2bbu s GLU 69 N 0.20 1.40 1.55 0.00 -6.30 0.51 -4.96 118.70 111.10 2bbu s GLU 69 Ca 0.31 -1.47 0.00 0.00 -2.50 0.00 0.00 54.97 51.32 2bbu s GLU 69 Cb -0.17 -2.78 0.00 0.00 0.00 0.00 0.00 34.13 31.18 2bbu s GLU 69 CO 0.16 -0.85 0.00 0.41 0.02 0.00 0.00 175.26 175.00 2bbu n GLY 70 N 4.49 0.23 0.76 -1.50 0.00 -1.26 -0.03 105.19 107.87 2bbu n GLY 70 Ca -0.02 0.58 0.04 0.00 0.00 0.00 0.00 46.02 46.62 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 2.10 3.26 -0.02 0.00 -1.26 -4.80 105.19 104.47 2bbu n GLY 71 Ca 0.00 -0.66 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.97 1.55 -0.09 1.61 1.04 0.95 -4.60 113.70 112.19 2bbu s SER 72 Ca 0.22 -1.12 -0.00 0.00 0.48 0.00 0.00 55.95 55.53 2bbu s SER 72 Cb 0.23 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 2bbu s SER 72 CO -0.06 -0.47 -0.08 0.12 0.98 0.00 0.00 173.24 173.74 2bbu s PHE 73 N -3.49 2.92 -0.03 5.02 5.36 -1.25 -0.36 117.98 126.15 2bbu s PHE 73 Ca 0.22 -0.15 -0.23 0.00 -0.96 0.00 0.00 56.93 55.80 2bbu s PHE 73 Cb 0.05 -1.78 0.05 0.00 -0.34 0.00 0.00 43.02 41.00 2bbu s PHE 73 CO 0.03 0.17 0.51 -1.12 -1.46 0.00 0.00 175.22 173.35 2bbu s SER 74 N -0.38 -0.44 -0.03 6.13 0.01 -0.38 -2.78 113.70 115.82 2bbu s SER 74 Ca 0.05 0.41 0.13 0.00 1.31 0.00 0.00 55.95 57.85 2bbu s SER 74 Cb -0.12 0.44 -0.23 0.00 0.21 0.00 0.00 66.02 66.32 2bbu s SER 74 CO 0.02 -0.55 0.70 0.25 0.41 0.00 0.00 173.24 174.07 2bbu h LEU 75 N 3.36 0.00 0.00 2.44 6.46 -1.84 2.21 115.31 127.94 2bbu h LEU 75 Ca -0.28 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2bbu h LEU 75 Cb 1.16 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 2bbu h LEU 75 CO 0.40 0.98 0.00 0.00 -0.62 0.00 0.00 178.44 179.20 2bbu n GLN 76 N -3.05 1.80 0.00 1.25 6.02 -1.26 -4.52 117.38 117.61 2bbu n GLN 76 Ca -0.16 0.00 0.13 0.00 -0.01 0.00 0.00 57.00 56.96 2bbu n GLN 76 Cb 1.04 0.00 0.27 0.00 1.02 0.00 0.00 30.24 32.57 2bbu n GLN 76 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2bbu n SER 77 N -1.57 2.24 -4.34 1.08 3.41 -1.26 -4.80 113.62 108.37 2bbu n SER 77 Ca 0.00 -1.71 -0.38 0.00 -0.26 0.00 0.00 58.87 56.52 2bbu n SER 77 Cb 0.00 0.04 -0.12 0.00 -0.26 0.00 0.00 64.21 63.87 2bbu n SER 77 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2bbu s ASP 78 N -2.07 5.39 0.13 4.04 1.01 -1.26 -4.95 116.67 118.96 2bbu s ASP 78 Ca 0.31 -0.90 -0.09 0.00 0.71 0.00 0.00 52.55 52.58 2bbu s ASP 78 Cb 0.20 -1.93 -0.08 0.00 1.01 0.00 0.00 42.92 42.12 2bbu s ASP 78 CO 0.35 -0.29 1.35 1.55 0.21 0.00 0.00 175.17 178.35 2bbu h PRO 79 N 8.30 0.69 -0.74 8.23 0.13 -1.97 -3.03 132.00 143.61 2bbu h PRO 79 Ca -0.27 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.31 2bbu h PRO 79 Cb 1.11 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2bbu h PRO 79 CO 0.62 1.17 0.00 2.89 -0.23 0.00 0.00 178.00 182.45 2bbu n ARG 80 N -3.91 2.38 0.13 0.86 1.85 -1.26 -4.32 116.66 112.39 2bbu n ARG 80 Ca -0.06 -1.21 -0.06 0.00 -1.00 0.00 0.00 57.85 55.52 2bbu n ARG 80 Cb 0.72 -1.70 -0.03 0.00 -1.05 0.00 0.00 32.46 30.41 2bbu n ARG 80 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2bbu h SER 81 N 1.60 -0.32 0.27 2.89 0.87 -1.95 -3.21 113.55 113.69 2bbu h SER 81 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2bbu h SER 81 Cb 0.96 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2bbu h SER 81 CO 0.16 -0.02 0.00 1.07 -0.53 0.00 0.00 176.83 177.51 2bbu n THR 82 N -4.20 0.28 -3.41 2.23 5.66 -1.26 -4.88 114.28 108.70 2bbu n THR 82 Ca -0.05 0.07 -0.19 0.00 -3.05 0.00 0.00 64.05 60.83 2bbu n THR 82 Cb 0.15 -0.74 0.06 0.00 -1.55 0.00 0.00 70.33 68.25 2bbu n THR 82 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2bbu n GLN 83 N -1.20 -3.18 0.00 1.09 0.00 -1.21 -5.00 117.38 107.87 2bbu n GLN 83 Ca 0.11 0.77 0.00 0.00 -0.00 0.00 0.00 57.00 57.88 2bbu n GLN 83 Cb 0.13 -5.47 0.00 0.00 0.00 0.00 0.00 30.24 24.90 2bbu n GLN 83 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2bbu n PRO 84 N -3.68 0.49 -1.59 3.69 -0.04 -1.26 -5.11 135.00 127.50 2bbu n PRO 84 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2bbu n PRO 84 Cb 0.63 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.09 2bbu n PRO 84 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2bbu n VAL 85 N -0.93 0.00 -2.40 0.52 0.31 -1.26 -5.06 118.33 109.50 2bbu n VAL 85 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 2bbu n VAL 85 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2bbu n VAL 85 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2bbu s PRO 86 N -1.38 4.47 -1.32 5.55 0.04 -1.26 -3.13 135.00 137.96 2bbu s PRO 86 Ca 0.00 1.82 -0.05 0.00 0.04 0.00 0.00 61.00 62.81 2bbu s PRO 86 Cb 0.00 -3.29 0.02 0.00 0.04 0.00 0.00 34.50 31.27 2bbu s PRO 86 CO 0.00 -0.16 0.97 0.54 0.04 0.00 0.00 177.00 178.39 2bbu n ARG 87 N 3.18 -6.38 -4.95 4.56 1.74 -1.26 -4.98 116.66 108.57 2bbu n ARG 87 Ca 0.06 0.74 -0.33 0.00 -0.77 0.00 0.00 57.85 57.56 2bbu n ARG 87 Cb 0.45 -5.64 -0.15 0.00 -1.02 0.00 0.00 32.46 26.10 2bbu n ARG 87 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2bbu s PHE 88 N -3.42 2.70 -0.44 -1.55 0.40 -1.18 -5.08 117.98 109.40 2bbu s PHE 88 Ca 0.27 -0.69 -0.23 0.00 -0.60 0.00 0.00 56.93 55.67 2bbu s PHE 88 Cb -0.12 -1.76 0.02 0.00 0.51 0.00 0.00 43.02 41.67 2bbu s PHE 88 CO 0.77 -0.22 0.80 -0.51 0.70 0.00 0.00 175.22 176.76 2bbu s ASP 89 N 0.16 6.43 0.00 1.36 1.11 -1.26 -3.87 116.67 120.61 2bbu s ASP 89 Ca -0.10 -0.05 0.11 0.00 0.18 0.00 0.00 52.55 52.70 2bbu s ASP 89 Cb -0.16 -2.39 0.59 0.00 1.07 0.00 0.00 42.92 42.03 2bbu s ASP 89 CO 0.06 -0.91 1.21 0.00 1.18 0.00 0.00 175.17 176.71 2bbu h VAL 91 N 0.00 1.02 -0.19 0.00 3.04 -1.90 2.41 116.25 120.64 2bbu h VAL 91 Ca 0.00 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.49 2bbu h VAL 91 Cb 0.07 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 29.80 2bbu h VAL 91 CO 0.00 0.10 0.03 0.17 -1.01 0.00 0.00 177.57 176.86 2bbu h LEU 92 N 0.52 0.30 -0.94 3.16 -0.00 -1.96 -1.76 115.31 114.63 2bbu h LEU 92 Ca 0.19 -0.26 -0.10 0.00 -0.00 0.00 0.00 57.88 57.71 2bbu h LEU 92 Cb 0.05 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 2bbu h LEU 92 CO -0.10 0.48 -0.34 0.50 -0.00 0.00 0.00 178.44 178.97 2bbu h LYS 93 N 0.10 0.35 -0.34 0.17 3.64 -1.65 -2.67 116.57 116.16 2bbu h LYS 93 Ca 0.06 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2bbu h LYS 93 Cb 0.31 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 2bbu h LYS 93 CO 0.00 0.65 0.23 -0.07 -2.27 0.00 0.00 179.45 177.99 2bbu h LEU 94 N 0.30 0.39 -1.32 5.20 3.38 0.45 -1.96 115.31 121.75 2bbu h LEU 94 Ca 0.04 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.16 2bbu h LEU 94 Cb 0.75 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.33 2bbu h LEU 94 CO 0.06 0.29 0.59 -0.37 0.09 0.00 0.00 178.44 179.09 2bbu h VAL 95 N 0.46 0.77 -0.64 1.22 -1.51 -0.96 1.00 116.25 116.60 2bbu h VAL 95 Ca 0.13 -0.21 0.10 0.00 -1.23 0.00 0.00 66.70 65.49 2bbu h VAL 95 Cb -0.05 0.11 -0.08 0.00 -2.13 0.00 0.00 31.29 29.14 2bbu h VAL 95 CO -0.03 0.11 0.24 0.45 -1.23 0.00 0.00 177.57 177.11 2bbu h HIS 96 N 0.61 0.41 0.15 5.19 3.86 -1.50 1.42 115.15 125.29 2bbu h HIS 96 Ca 0.47 0.03 -0.30 0.00 -1.16 0.00 0.00 60.37 59.41 2bbu h HIS 96 Cb 0.89 -0.09 0.02 0.00 1.06 0.00 0.00 27.41 29.29 2bbu h HIS 96 CO -0.00 0.09 -1.29 1.25 0.86 0.00 0.00 177.93 178.84 2bbu h HIS 97 N 0.42 0.86 0.00 2.45 6.17 -0.68 -3.14 115.15 121.22 2bbu h HIS 97 Ca 0.33 -0.58 -0.01 0.00 0.71 0.00 0.00 60.37 60.82 2bbu h HIS 97 Cb 0.42 -0.05 -0.00 0.00 2.52 0.00 0.00 27.41 30.29 2bbu h HIS 97 CO -0.17 1.43 -0.04 -0.92 0.71 0.00 0.00 177.93 178.94 2bbu h TYR 98 N 0.19 0.00 -2.67 5.26 5.03 0.20 -3.41 116.97 121.57 2bbu h TYR 98 Ca -0.19 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.01 2bbu h TYR 98 Cb 1.97 0.00 -0.23 0.00 1.55 0.00 0.00 36.73 40.03 2bbu h TYR 98 CO 0.10 0.04 -0.18 1.41 -1.32 0.00 0.00 178.16 178.21 2bbu s MET 99 N -4.11 0.58 -0.06 1.82 1.75 0.48 -4.43 119.30 115.32 2bbu s MET 99 Ca -0.03 0.47 -0.30 0.00 -1.25 0.00 0.00 55.69 54.58 2bbu s MET 99 Cb 0.12 0.28 -0.03 0.00 2.84 0.00 0.00 34.83 38.04 2bbu s MET 99 CO 0.51 -0.10 1.19 -1.25 -0.65 0.00 0.00 175.02 174.72 2bbu s PRO 100 N -0.10 4.35 0.29 4.11 0.04 -1.23 -4.18 135.00 138.28 2bbu s PRO 100 Ca -0.03 1.65 0.11 0.00 0.04 0.00 0.00 61.00 62.77 2bbu s PRO 100 Cb -0.03 -3.56 0.40 0.00 0.04 0.00 0.00 34.50 31.35 2bbu s PRO 100 CO 0.02 -0.45 1.63 -1.00 0.04 0.00 0.00 177.00 177.25 2bbu h PRO 101 N 7.45 0.00 -7.59 0.56 0.13 -1.91 -3.45 132.00 127.19 2bbu h PRO 101 Ca -0.34 0.00 -0.43 0.00 -0.87 0.00 0.00 66.00 64.37 2bbu h PRO 101 Cb 1.16 0.00 0.18 0.00 0.13 0.00 0.00 31.00 32.47 2bbu h PRO 101 CO 0.88 0.58 0.27 -1.25 -0.23 0.00 0.00 178.00 178.25 2bbu s PRO 102 N -3.63 -0.34 0.00 1.56 0.04 -1.26 -3.92 135.00 127.45 2bbu s PRO 102 Ca -0.01 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 60.82 2bbu s PRO 102 Cb 0.13 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.95 2bbu s PRO 102 CO 0.75 -3.10 0.00 0.41 0.04 0.00 0.00 177.00 175.10 2bbu n GLY 103 N -2.23 2.18 2.64 0.56 0.00 -1.26 -4.61 105.19 102.47 2bbu n GLY 103 Ca 0.14 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 1.10 0.59 2.61 -4.23 -1.26 -5.11 115.64 109.34 2bbu s THR 104 Ca 0.00 -2.47 -0.16 0.00 -1.18 0.00 0.00 61.69 57.87 2bbu s THR 104 Cb 0.00 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.03 2bbu s THR 104 CO 0.00 -0.96 1.08 -2.16 -0.54 0.00 0.00 174.62 172.04 2bbu s PRO 105 N 0.38 3.25 0.02 3.99 0.04 -1.25 -5.01 135.00 136.43 2bbu s PRO 105 Ca 0.20 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.57 2bbu s PRO 105 Cb -0.20 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 2bbu s PRO 105 CO -0.03 -0.88 0.03 -1.12 0.04 0.00 0.00 177.00 175.05 2bbu s SER 106 N -2.53 5.32 -0.00 6.66 0.01 -1.26 -5.10 113.70 116.80 2bbu s SER 106 Ca 0.66 0.01 -0.28 0.00 1.31 0.00 0.00 55.95 57.64 2bbu s SER 106 Cb -0.18 -1.42 0.10 0.00 0.21 0.00 0.00 66.02 64.73 2bbu s SER 106 CO 0.35 0.24 1.27 0.72 0.41 0.00 0.00 173.24 176.24 2bbu s PHE 107 N -1.20 0.02 0.00 2.43 -0.71 -1.26 -5.08 117.98 112.18 2bbu s PHE 107 Ca 0.23 -0.15 0.00 0.00 -1.04 0.00 0.00 56.93 55.97 2bbu s PHE 107 Cb -0.12 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.26 2bbu s PHE 107 CO 0.14 -0.31 0.00 0.43 -1.34 0.00 0.00 175.22 174.14 2bbu n SER 108 N -0.96 0.00 -4.77 1.98 7.64 -1.26 -5.14 113.62 111.10 2bbu n SER 108 Ca 0.01 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.66 2bbu n SER 108 Cb 0.59 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.74 2bbu n SER 108 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2bbu s LEU 109 N 0.00 3.65 -0.10 -3.43 0.05 -1.26 -5.07 118.68 112.52 2bbu s LEU 109 Ca 0.00 -0.35 -0.30 0.00 0.05 0.00 0.00 54.13 53.54 2bbu s LEU 109 Cb 0.00 -2.18 -0.03 0.00 -2.05 0.00 0.00 46.19 41.93 2bbu s LEU 109 CO 0.00 -0.02 1.34 -2.16 -0.55 0.00 0.00 176.35 174.96 2bbu s PRO 110 N -3.74 4.25 0.34 1.48 0.04 -1.26 -4.99 135.00 131.12 2bbu s PRO 110 Ca 0.32 1.80 -0.27 0.00 0.04 0.00 0.00 61.00 62.89 2bbu s PRO 110 Cb -0.08 -3.74 -0.09 0.00 0.04 0.00 0.00 34.50 30.63 2bbu s PRO 110 CO 0.23 -0.67 1.12 -1.25 0.04 0.00 0.00 177.00 176.48 2bbu s PRO 111 N 3.23 4.36 -0.04 0.56 0.04 -1.26 -5.05 135.00 136.85 2bbu s PRO 111 Ca 0.59 1.78 0.02 0.00 0.04 0.00 0.00 61.00 63.44 2bbu s PRO 111 Cb -0.26 -2.91 0.01 0.00 0.04 0.00 0.00 34.50 31.39 2bbu s PRO 111 CO 0.20 -0.03 -0.10 0.95 0.04 0.00 0.00 177.00 178.06 2bbu s THR 112 N -1.33 0.87 -0.40 1.26 -4.23 -1.26 -5.04 115.64 105.51 2bbu s THR 112 Ca 0.51 -0.38 0.05 0.00 -1.18 0.00 0.00 61.69 60.69 2bbu s THR 112 Cb -0.30 -0.78 0.31 0.00 1.34 0.00 0.00 72.50 73.07 2bbu s THR 112 CO 0.38 0.27 1.24 1.21 -0.54 0.00 0.00 174.62 177.18 2bbu n GLU 113 N 3.44 0.70 -1.36 3.99 2.13 -1.26 -5.15 120.64 123.12 2bbu n GLU 113 Ca -0.20 -1.43 -0.30 0.00 0.66 0.00 0.00 57.16 55.90 2bbu n GLU 113 Cb 0.53 -0.54 0.22 0.00 0.27 0.00 0.00 31.44 31.92 2bbu n GLU 113 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2bbu s PRO 114 N 0.17 -0.61 -1.26 5.31 0.04 -1.26 -4.29 135.00 133.09 2bbu s PRO 114 Ca 0.20 -0.18 -0.01 0.00 0.04 0.00 0.00 61.00 61.05 2bbu s PRO 114 Cb 0.29 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 33.15 2bbu s PRO 114 CO -0.10 -3.29 0.90 -1.13 0.04 0.00 0.00 177.00 173.42 2bbu n SER 115 N -4.43 -2.08 -3.61 6.66 3.41 -1.26 -4.99 113.62 107.32 2bbu n SER 115 Ca 0.14 -0.70 -0.02 0.00 -0.26 0.00 0.00 58.87 58.03 2bbu n SER 115 Cb 0.59 -4.67 -0.06 0.00 -0.26 0.00 0.00 64.21 59.82 2bbu n SER 115 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2bbu s SER 116 N -4.26 -0.64 -0.51 4.04 0.15 -1.26 -5.11 113.70 106.11 2bbu s SER 116 Ca 0.06 0.99 -0.29 0.00 0.70 0.00 0.00 55.95 57.41 2bbu s SER 116 Cb -0.03 1.38 0.03 0.00 -1.71 0.00 0.00 66.02 65.69 2bbu s SER 116 CO 0.77 -0.15 1.16 -0.70 1.20 0.00 0.00 173.24 175.51 2bbu s GLU 117 N 1.67 3.66 0.01 5.44 2.12 -1.26 -4.99 118.70 125.35 2bbu s GLU 117 Ca -0.08 0.48 0.02 0.00 0.36 0.00 0.00 54.97 55.75 2bbu s GLU 117 Cb -0.05 -3.94 -0.01 0.00 0.26 0.00 0.00 34.13 30.39 2bbu s GLU 117 CO -0.17 -1.47 -0.06 0.14 -0.54 0.00 0.00 175.26 173.16 2bbu s VAL 118 N 4.61 0.50 -1.54 3.70 -7.23 -1.26 -5.01 120.40 114.17 2bbu s VAL 118 Ca 0.47 -0.44 0.20 0.00 -1.81 0.00 0.00 61.98 60.39 2bbu s VAL 118 Cb -0.07 -0.45 0.39 0.00 0.56 0.00 0.00 36.38 36.80 2bbu s VAL 118 CO 0.30 0.02 1.61 -0.81 -0.31 0.00 0.00 175.10 175.91 2bbu n PRO 119 N 2.60 0.35 -1.25 4.82 -0.04 -1.26 -4.99 135.00 135.22 2bbu n PRO 119 Ca -0.15 0.08 0.15 0.00 -0.04 0.00 0.00 63.50 63.54 2bbu n PRO 119 Cb 0.57 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.23 -2.47 -1.30 0.54 1.02 -1.26 -4.95 120.64 110.99 2bbu n GLU 120 Ca 0.10 1.83 0.15 0.00 -0.02 0.00 0.00 57.16 59.23 2bbu n GLU 120 Cb 0.14 -3.06 -0.06 0.00 -0.02 0.00 0.00 31.44 28.44 2bbu n GLU 120 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2bbu n GLN 121 N -3.80 -2.67 -2.39 3.49 3.00 -1.26 -4.73 117.38 109.02 2bbu n GLN 121 Ca -0.03 2.06 -0.40 0.00 -0.01 0.00 0.00 57.00 58.62 2bbu n GLN 121 Cb 0.65 -3.26 -0.04 0.00 0.00 0.00 0.00 30.24 27.59 2bbu n GLN 121 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 2bbu s PRO 122 N -3.65 4.57 0.33 -1.09 0.04 -1.26 -4.92 135.00 129.03 2bbu s PRO 122 Ca 0.00 1.90 0.26 0.00 0.04 0.00 0.00 61.00 63.21 2bbu s PRO 122 Cb 0.00 -3.16 0.99 0.00 0.04 0.00 0.00 34.50 32.36 2bbu s PRO 122 CO 0.00 0.12 1.78 -1.00 0.04 0.00 0.00 177.00 177.94 2bbu h PRO 123 N 3.72 0.00 -1.55 0.56 0.13 -1.98 -3.46 132.00 129.42 2bbu h PRO 123 Ca -0.47 0.00 -0.39 0.00 -0.87 0.00 0.00 66.00 64.27 2bbu h PRO 123 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 2bbu h PRO 123 CO 0.67 0.00 -0.40 0.00 -0.23 0.00 0.00 178.00 178.03 2bbu n ALA 124 N -1.88 -0.39 -3.65 -0.56 0.00 -1.26 -4.92 120.51 107.86 2bbu n ALA 124 Ca 0.03 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2bbu n ALA 124 Cb 0.31 -1.97 -0.06 0.00 0.00 0.00 0.00 19.45 17.73 2bbu n ALA 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2bbu s GLN 125 N -4.09 0.17 0.00 0.00 0.74 -1.26 -5.06 119.66 110.16 2bbu s GLN 125 Ca 0.00 0.29 0.00 0.00 0.05 0.00 0.00 55.36 55.70 2bbu s GLN 125 Cb 0.00 0.04 0.00 0.00 1.10 0.00 0.00 33.01 34.15 2bbu s GLN 125 CO 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 175.29 174.71 2bbu n ALA 126 N 3.20 1.34 -3.92 1.58 0.00 -1.26 -5.06 120.51 116.38 2bbu n ALA 126 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.93 2bbu n ALA 126 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 2bbu n ALA 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2bbu s LEU 127 N -2.61 2.74 0.69 0.00 1.43 -1.26 -5.06 118.68 114.61 2bbu s LEU 127 Ca 0.00 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.18 2bbu s LEU 127 Cb 0.00 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.66 2bbu s LEU 127 CO 0.00 -0.07 1.07 -2.16 0.23 0.00 0.00 176.35 175.42 2bbu s PRO 128 N 1.29 2.81 0.40 1.29 0.04 -1.26 -4.77 135.00 134.81 2bbu s PRO 128 Ca 0.01 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2bbu s PRO 128 Cb -0.15 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2bbu s PRO 128 CO -0.08 -1.21 0.00 0.41 0.04 0.00 0.00 177.00 176.16 2bbu n GLY 129 N -1.45 -4.79 7.00 0.56 0.00 -1.26 -4.84 105.19 100.41 2bbu n GLY 129 Ca 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.04 -0.61 -3.56 1.61 3.41 -1.26 -4.82 113.62 108.36 2bbu n SER 130 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2bbu n SER 130 Cb 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 63.97 2bbu n SER 130 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bbu n THR 131 N -0.15 -4.44 0.10 6.66 -2.24 -1.26 -4.90 114.28 108.05 2bbu n THR 131 Ca 0.00 0.08 -0.09 0.00 -2.27 0.00 0.00 64.05 61.77 2bbu n THR 131 Cb 0.00 -3.70 -0.06 0.00 -2.10 0.00 0.00 70.33 64.47 2bbu n THR 131 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2bbu h PRO 132 N 1.06 -0.32 0.00 -0.78 0.13 -1.88 -3.44 132.00 126.78 2bbu h PRO 132 Ca -0.54 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2bbu h PRO 132 Cb 1.36 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.57 2bbu h PRO 132 CO 0.29 -0.02 -0.03 1.17 -0.23 0.00 0.00 178.00 179.17 2bbu n LYS 133 N -5.00 0.00 -3.66 0.86 4.81 -1.26 -4.93 118.16 108.98 2bbu n LYS 133 Ca -0.07 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.23 2bbu n LYS 133 Cb 0.23 -0.03 -0.08 0.00 0.02 0.00 0.00 35.03 35.17 2bbu n LYS 133 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2bbu s ARG 134 N -2.00 0.73 0.00 1.64 1.70 -1.26 -4.99 118.95 114.77 2bbu s ARG 134 Ca 0.00 0.60 0.00 0.00 -0.47 0.00 0.00 55.73 55.86 2bbu s ARG 134 Cb 0.00 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.73 2bbu s ARG 134 CO 0.00 -0.13 0.00 0.00 -1.08 0.00 0.00 175.30 174.09 2bbu n ALA 135 N 2.30 0.00 -2.80 7.88 0.00 -1.26 -5.08 120.51 121.54 2bbu n ALA 135 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.93 2bbu n ALA 135 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 2bbu n ALA 135 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2bbu s TYR 136 N 0.00 3.22 0.23 0.00 1.13 -1.26 -5.00 117.35 115.68 2bbu s TYR 136 Ca 0.00 0.00 -0.16 0.00 -1.41 0.00 0.00 57.07 55.50 2bbu s TYR 136 Cb 0.00 -2.21 0.01 0.00 -1.10 0.00 0.00 41.96 38.67 2bbu s TYR 136 CO 0.00 -0.03 0.54 1.52 -2.51 0.00 0.00 175.55 175.07 2bbu s TYR 137 N 1.02 0.05 0.02 -3.49 -0.85 -1.26 -2.85 117.35 109.99 2bbu s TYR 137 Ca 0.05 -0.42 -0.01 0.00 -0.52 0.00 0.00 57.07 56.17 2bbu s TYR 137 Cb -0.14 0.38 -0.04 0.00 0.38 0.00 0.00 41.96 42.54 2bbu s TYR 137 CO 0.04 -1.01 0.16 0.42 -1.52 0.00 0.00 175.55 173.64 2bbu s ILE 138 N -3.94 5.19 -0.13 -3.49 1.01 -0.61 -4.88 121.20 114.35 2bbu s ILE 138 Ca 0.14 -0.33 -0.13 0.00 0.00 0.00 0.00 60.65 60.33 2bbu s ILE 138 Cb -0.02 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 2bbu s ILE 138 CO 0.03 0.26 0.27 -0.31 0.00 0.00 0.00 174.94 175.20 2bbu s TYR 139 N -1.36 3.52 -1.14 3.97 1.51 -1.26 -0.46 117.35 122.14 2bbu s TYR 139 Ca 0.29 0.63 -0.05 0.00 -1.01 0.00 0.00 57.07 56.92 2bbu s TYR 139 Cb -0.13 -2.25 0.26 0.00 -0.11 0.00 0.00 41.96 39.73 2bbu s TYR 139 CO 0.21 0.39 1.71 0.43 -1.11 0.00 0.00 175.55 177.18 2bbu n SER 140 N 3.03 6.41 0.00 2.29 7.64 0.64 -4.85 113.62 128.77 2bbu n SER 140 Ca -0.14 -3.37 0.00 0.00 1.01 0.00 0.00 58.87 56.37 2bbu n SER 140 Cb 0.52 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.41 2bbu n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bbu n GLY 141 N 1.47 0.44 0.00 0.23 0.00 -1.26 -1.75 105.19 104.33 2bbu n GLY 141 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 -0.29 3.16 -0.02 0.00 -1.26 -5.03 105.19 101.75 2bbu n GLY 142 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.13 3.04 -0.58 1.61 0.41 -0.71 -5.08 118.70 117.25 2bbu s GLU 143 Ca 0.00 -0.82 -0.27 0.00 -0.41 0.00 0.00 54.97 53.47 2bbu s GLU 143 Cb 0.00 -2.56 0.03 0.00 -1.78 0.00 0.00 34.13 29.83 2bbu s GLU 143 CO 0.00 -0.13 1.11 0.15 -0.49 0.00 0.00 175.26 175.90 2bbu s LYS 144 N 1.12 3.43 -0.47 1.61 1.02 -1.26 0.23 119.74 125.42 2bbu s LYS 144 Ca 0.01 0.03 -0.22 0.00 0.02 0.00 0.00 55.97 55.80 2bbu s LYS 144 Cb -0.14 -4.04 0.03 0.00 -0.52 0.00 0.00 37.83 33.16 2bbu s LYS 144 CO -0.08 -1.65 0.76 0.42 -0.92 0.00 0.00 175.35 173.88 2bbu s ILE 145 N 4.66 4.67 0.08 2.17 1.09 0.39 -4.94 121.20 129.32 2bbu s ILE 145 Ca 0.38 0.24 -0.31 0.00 -1.10 0.00 0.00 60.65 59.87 2bbu s ILE 145 Cb -0.09 -4.33 -0.07 0.00 -1.06 0.00 0.00 42.46 36.91 2bbu s ILE 145 CO 0.22 -0.76 1.30 -2.16 -0.10 0.00 0.00 174.94 173.44 2bbu s PRO 146 N 3.22 4.37 -0.05 2.79 0.04 -1.26 -1.58 135.00 142.53 2bbu s PRO 146 Ca 0.27 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.27 2bbu s PRO 146 Cb -0.13 -3.32 -0.00 0.00 0.04 0.00 0.00 34.50 31.08 2bbu s PRO 146 CO 0.20 -0.36 -0.19 -0.51 0.04 0.00 0.00 177.00 176.18 2bbu s LEU 147 N 1.20 1.95 -0.21 -3.56 1.02 -1.13 -4.16 118.68 113.79 2bbu s LEU 147 Ca 0.62 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.38 2bbu s LEU 147 Cb -0.33 -1.06 0.03 0.00 0.02 0.00 0.00 46.19 44.85 2bbu s LEU 147 CO 0.29 0.17 -0.15 0.54 0.02 0.00 0.00 176.35 177.23 2bbu s VAL 148 N 0.01 2.33 -0.26 -1.59 0.11 -1.26 -4.01 120.40 115.72 2bbu s VAL 148 Ca -0.04 -1.04 -0.03 0.00 -2.93 0.00 0.00 61.98 57.95 2bbu s VAL 148 Cb -0.12 -2.09 0.02 0.00 -1.53 0.00 0.00 36.38 32.66 2bbu s VAL 148 CO 0.03 0.38 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.92 2bbu s LEU 149 N 1.28 3.34 0.00 2.54 0.20 -1.26 -4.71 118.68 120.06 2bbu s LEU 149 Ca 0.02 -0.84 0.00 0.00 0.69 0.00 0.00 54.13 54.00 2bbu s LEU 149 Cb -0.15 -1.71 0.00 0.00 -0.43 0.00 0.00 46.19 43.90 2bbu s LEU 149 CO -0.09 -0.14 0.40 -0.24 -0.29 0.00 0.00 176.35 175.99 2bbu n SER 150 N 4.71 0.00 -4.20 3.68 2.88 -1.26 -3.46 113.62 115.96 2bbu n SER 150 Ca -0.16 -1.08 -0.33 0.00 -1.33 0.00 0.00 58.87 55.98 2bbu n SER 150 Cb 0.47 -0.02 -0.16 0.00 -0.75 0.00 0.00 64.21 63.76 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 0.00 3.10 0.44 -1.46 1.81 -1.26 -5.01 118.95 116.57 2bbu s ARG 151 Ca 0.00 -0.81 -0.24 0.00 -1.72 0.00 0.00 55.73 52.97 2bbu s ARG 151 Cb 0.00 -2.53 -0.08 0.00 -0.45 0.00 0.00 34.95 31.89 2bbu s ARG 151 CO 0.00 -0.02 1.15 -1.25 -0.68 0.00 0.00 175.30 174.49 2bbu s PRO 152 N 0.87 3.88 0.20 3.54 0.04 -1.26 -1.30 135.00 140.97 2bbu s PRO 152 Ca -0.05 1.75 -0.28 0.00 0.04 0.00 0.00 61.00 62.46 2bbu s PRO 152 Cb -0.15 -2.48 -0.08 0.00 0.04 0.00 0.00 34.50 31.82 2bbu s PRO 152 CO -0.02 -0.44 0.86 -0.48 0.04 0.00 0.00 177.00 176.95 2bbu s LEU 153 N -2.86 4.62 0.00 -3.56 0.05 -1.00 -4.69 118.68 111.24 2bbu s LEU 153 Ca 0.61 1.79 0.00 0.00 0.05 0.00 0.00 54.13 56.58 2bbu s LEU 153 Cb -0.28 -3.45 0.00 0.00 -2.05 0.00 0.00 46.19 40.41 2bbu s LEU 153 CO 0.34 0.18 0.00 -1.20 -0.55 0.00 0.00 176.35 175.12 2bbu n SER 154 N 1.57 0.00 -1.34 1.48 7.64 -1.26 -4.64 113.62 117.08 2bbu n SER 154 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2bbu n SER 154 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2bbu n SER 154 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2bbu n SER 155 N 1.35 -6.46 0.00 6.43 2.88 -1.13 -5.01 113.62 111.68 2bbu n SER 155 Ca 0.00 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.39 2bbu n SER 155 Cb 0.00 -3.21 0.00 0.00 -0.75 0.00 0.00 64.21 60.25 2bbu n SER 155 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40