#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 0.26 -0.16 -0.32 3.20 -1.97 -2.65 116.97 115.34 2bbu h TYR 2 Ca 0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 2bbu h TYR 2 Cb 0.00 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 2bbu h TYR 2 CO 0.00 0.24 -0.31 1.96 -1.64 0.00 0.00 178.16 178.41 2bbu h GLN 3 N 0.21 0.31 -0.37 1.82 1.08 -1.98 -3.07 115.11 113.10 2bbu h GLN 3 Ca 0.07 -0.12 0.04 0.00 -1.45 0.00 0.00 58.65 57.19 2bbu h GLN 3 Cb 0.06 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.43 2bbu h GLN 3 CO -0.01 0.59 0.14 -0.07 -0.95 0.00 0.00 178.83 178.53 2bbu h LEU 4 N 0.27 0.17 -0.26 1.46 3.38 -1.78 -0.21 115.31 118.34 2bbu h LEU 4 Ca 0.04 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2bbu h LEU 4 Cb 0.68 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2bbu h LEU 4 CO 0.05 0.13 0.15 0.58 0.09 0.00 0.00 178.44 179.45 2bbu h VAL 5 N 0.30 1.10 -0.71 1.22 2.07 -1.42 -0.55 116.25 118.27 2bbu h VAL 5 Ca 0.17 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.46 2bbu h VAL 5 Cb 0.13 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 2bbu h VAL 5 CO -0.16 0.10 0.45 0.58 0.02 0.00 0.00 177.57 178.55 2bbu h VAL 6 N 0.32 1.10 -0.68 2.57 2.07 -1.39 0.70 116.25 120.94 2bbu h VAL 6 Ca 0.09 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 2bbu h VAL 6 Cb 0.03 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.92 2bbu h VAL 6 CO -0.02 0.16 0.12 0.78 0.02 0.00 0.00 177.57 178.63 2bbu h ASN 7 N 0.88 1.06 -0.06 0.57 2.35 -0.70 -1.13 115.58 118.55 2bbu h ASN 7 Ca 0.28 -0.25 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 2bbu h ASN 7 Cb 0.01 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.10 2bbu h ASN 7 CO -0.10 1.04 -0.48 0.00 -1.65 0.00 0.00 177.43 176.24 2bbu h ALA 8 N 1.08 0.14 -1.00 -0.83 0.00 -0.45 -3.18 119.26 115.02 2bbu h ALA 8 Ca 0.21 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.66 2bbu h ALA 8 Cb 0.43 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 2bbu h ALA 8 CO 0.01 0.32 0.65 0.28 0.00 0.00 0.00 179.25 180.51 2bbu h VAL 9 N -0.04 1.12 -0.71 0.00 2.07 0.47 0.22 116.25 119.38 2bbu h VAL 9 Ca -0.04 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.14 2bbu h VAL 9 Cb 1.16 -0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 2bbu h VAL 9 CO 0.10 0.22 0.38 -0.09 0.02 0.00 0.00 177.57 178.20 2bbu h ARG 10 N 1.21 0.66 0.07 1.57 2.43 -1.20 1.37 114.38 120.50 2bbu h ARG 10 Ca 0.42 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.38 2bbu h ARG 10 Cb 0.10 -0.15 0.02 0.00 -0.42 0.00 0.00 29.97 29.52 2bbu h ARG 10 CO -0.15 0.43 -0.72 -0.22 -1.51 0.00 0.00 179.97 177.80 2bbu h LYS 11 N 0.68 0.36 -0.50 0.20 1.63 -1.29 -2.17 116.57 115.48 2bbu h LYS 11 Ca 0.33 -0.48 -0.07 0.00 -0.85 0.00 0.00 60.65 59.58 2bbu h LYS 11 Cb 0.28 0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 2bbu h LYS 11 CO -0.22 1.18 0.02 1.25 -3.45 0.00 0.00 179.45 178.22 2bbu h LEU 12 N -0.23 0.85 -0.57 5.20 5.85 -0.29 -2.74 115.31 123.38 2bbu h LEU 12 Ca -0.11 -0.30 -0.13 0.00 0.84 0.00 0.00 57.88 58.18 2bbu h LEU 12 Cb 1.49 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2bbu h LEU 12 CO 0.14 0.93 -0.24 0.06 -0.34 0.00 0.00 178.44 179.00 2bbu h GLN 13 N 0.73 0.90 -0.57 1.25 3.07 0.17 -3.08 115.11 117.59 2bbu h GLN 13 Ca 0.14 -0.38 0.04 0.00 0.09 0.00 0.00 58.65 58.54 2bbu h GLN 13 Cb 0.49 -0.03 -0.04 0.00 0.08 0.00 0.00 27.48 27.98 2bbu h GLN 13 CO 0.02 1.03 0.32 1.49 0.09 0.00 0.00 178.83 181.79 2bbu h GLU 14 N 0.77 0.60 -0.27 0.06 4.22 -1.24 -0.52 114.58 118.20 2bbu h GLU 14 Ca 0.10 -0.04 0.08 0.00 0.08 0.00 0.00 59.36 59.58 2bbu h GLU 14 Cb 0.79 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2bbu h GLU 14 CO 0.07 0.40 0.26 0.77 -2.18 0.00 0.00 179.01 178.32 2bbu h SER 15 N 0.62 0.00 -0.03 1.04 0.02 -1.39 -3.45 113.55 110.35 2bbu h SER 15 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2bbu h SER 15 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2bbu h SER 15 CO -0.14 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.16 2bbu n GLY 16 N -1.48 1.48 0.00 -3.77 0.00 -0.20 -4.98 105.19 96.24 2bbu n GLY 16 Ca 0.04 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.69 0.00 -3.32 1.61 -0.00 -1.22 -4.36 117.46 108.48 2bbu n PHE 17 Ca 0.00 -0.21 -0.38 0.00 -0.00 0.00 0.00 57.45 56.85 2bbu n PHE 17 Cb 0.14 -0.02 -0.06 0.00 -0.00 0.00 0.00 39.48 39.54 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 -0.43 3.68 -0.02 -5.13 6.14 -1.23 -4.60 117.35 115.76 2bbu s TYR 18 Ca 0.00 1.09 0.01 0.00 0.64 0.00 0.00 57.07 58.81 2bbu s TYR 18 Cb 0.00 -2.49 -0.03 0.00 0.42 0.00 0.00 41.96 39.86 2bbu s TYR 18 CO 0.00 0.44 -0.02 -1.58 0.64 0.00 0.00 175.55 175.03 2bbu s TRP 19 N -0.43 3.04 -0.23 4.97 0.52 -1.05 -4.94 118.94 120.82 2bbu s TRP 19 Ca 0.27 0.07 -0.03 0.00 0.02 0.00 0.00 56.10 56.43 2bbu s TRP 19 Cb -0.17 -1.68 0.12 0.00 -1.15 0.00 0.00 33.47 30.58 2bbu s TRP 19 CO 0.15 0.43 0.34 -1.12 0.02 0.00 0.00 176.95 176.77 2bbu s SER 20 N -1.35 0.47 0.00 2.95 0.01 -1.26 -4.00 113.70 110.51 2bbu s SER 20 Ca 0.17 0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.62 2bbu s SER 20 Cb -0.11 0.95 0.00 0.00 0.21 0.00 0.00 66.02 67.07 2bbu s SER 20 CO 0.08 -0.30 0.00 0.00 0.41 0.00 0.00 173.24 173.43 2bbu n ALA 21 N 5.36 0.00 -3.09 1.44 0.00 -1.26 -5.10 120.51 117.85 2bbu n ALA 21 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2bbu n ALA 21 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.93 0.00 0.24 -1.26 -5.10 118.33 109.28 2bbu n VAL 22 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 2bbu n VAL 22 Cb 0.00 -0.07 0.02 0.00 -1.47 0.00 0.00 33.84 32.32 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 0.76 3.69 0.00 3.34 2.01 -1.26 -4.77 115.64 119.41 2bbu s THR 23 Ca 0.00 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.43 2bbu s THR 23 Cb 0.00 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2bbu s THR 23 CO 0.00 -0.25 0.25 0.61 -0.69 0.00 0.00 174.62 174.55 2bbu n GLY 24 N -2.11 -2.07 0.31 4.40 0.00 -1.26 0.21 105.19 104.67 2bbu n GLY 24 Ca 0.03 0.31 -0.05 0.00 0.00 0.00 0.00 46.02 46.31 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 1.12 1.92 -0.02 0.00 -1.92 -1.52 103.07 102.66 2bbu h GLY 25 Ca 0.00 -0.46 0.01 0.00 0.00 0.00 0.00 47.33 46.88 2bbu h GLY 25 CO 0.00 0.44 0.03 0.83 0.00 0.00 0.00 176.54 177.84 2bbu h GLU 26 N 1.07 0.00 0.08 4.80 5.08 -1.92 0.92 114.58 124.61 2bbu h GLU 26 Ca 0.28 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.47 2bbu h GLU 26 Cb -0.06 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.21 2bbu h GLU 26 CO -0.05 0.00 -0.71 0.00 -1.00 0.00 0.00 179.01 177.24 2bbu h ALA 27 N 1.97 -0.03 -0.08 3.43 0.00 0.36 -2.93 119.26 121.98 2bbu h ALA 27 Ca 0.01 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2bbu h ALA 27 Cb 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2bbu h ALA 27 CO -0.00 0.36 -0.05 -0.91 0.00 0.00 0.00 179.25 178.65 2bbu h ASN 28 N -0.28 0.18 -0.30 0.00 2.35 -0.93 -3.11 115.58 113.49 2bbu h ASN 28 Ca -0.11 -0.44 0.02 0.00 -0.55 0.00 0.00 56.30 55.23 2bbu h ASN 28 Cb 1.50 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 39.80 2bbu h ASN 28 CO 0.14 0.58 0.20 -0.07 -1.65 0.00 0.00 177.43 176.62 2bbu h LEU 29 N -0.22 0.26 -2.15 1.61 4.07 -0.97 -0.89 115.31 117.02 2bbu h LEU 29 Ca 0.02 -0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.04 2bbu h LEU 29 Cb 0.51 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 2bbu h LEU 29 CO 0.01 0.18 0.26 0.17 -1.08 0.00 0.00 178.44 177.98 2bbu h LEU 30 N 0.31 0.00 -0.93 1.67 8.10 -1.44 0.50 115.31 123.51 2bbu h LEU 30 Ca 0.12 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 58.00 2bbu h LEU 30 Cb 0.10 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.31 2bbu h LEU 30 CO -0.03 0.00 -0.37 0.17 -4.11 0.00 0.00 178.44 174.10 2bbu h LEU 31 N 0.00 0.33 -0.84 0.17 8.10 -1.27 -1.70 115.31 120.10 2bbu h LEU 31 Ca 0.12 -0.13 -0.12 0.00 0.11 0.00 0.00 57.88 57.86 2bbu h LEU 31 Cb 0.63 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.75 2bbu h LEU 31 CO -0.00 0.68 -0.46 -1.28 -4.11 0.00 0.00 178.44 173.27 2bbu h SER 32 N 0.27 0.30 1.84 0.17 0.87 -0.10 -0.30 113.55 116.60 2bbu h SER 32 Ca 0.03 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 2bbu h SER 32 Cb 0.78 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.65 2bbu h SER 32 CO 0.06 0.72 -0.16 0.00 -0.53 0.00 0.00 176.83 176.92 2bbu h ALA 33 N 1.30 0.91 -3.00 6.23 0.00 -1.08 -3.39 119.26 120.23 2bbu h ALA 33 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 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 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.84 2bbu n GLU 34 N -3.10 0.00 -1.37 0.00 1.02 -0.67 -4.88 120.64 111.64 2bbu n GLU 34 Ca 0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.75 2bbu n GLU 34 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.96 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 -0.70 2.10 -1.70 3.49 -0.04 -0.20 -4.94 135.00 133.00 2bbu n PRO 35 Ca 0.00 -2.14 -0.42 0.00 -0.04 0.00 0.00 63.50 60.91 2bbu n PRO 35 Cb 0.00 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.42 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 6.75 1.32 -1.11 0.55 0.00 -0.72 -1.80 120.51 125.50 2bbu n ALA 36 Ca 0.51 0.31 -0.01 0.00 0.00 0.00 0.00 53.44 54.24 2bbu n ALA 36 Cb 0.39 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 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 0.79 0.48 3.27 0.00 0.00 -1.24 -5.03 105.19 103.45 2bbu n GLY 37 Ca 0.06 -1.01 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.06 1.68 0.06 2.61 2.01 -0.75 -4.26 115.64 114.94 2bbu s THR 38 Ca 0.00 -1.40 0.09 0.00 0.31 0.00 0.00 61.69 60.69 2bbu s THR 38 Cb 0.00 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 2bbu s THR 38 CO 0.00 0.05 -0.24 0.72 -0.69 0.00 0.00 174.62 174.46 2bbu s PHE 39 N -1.01 2.06 0.11 4.92 -0.12 -1.07 -3.84 117.98 119.03 2bbu s PHE 39 Ca 0.07 -0.39 -0.14 0.00 -0.05 0.00 0.00 56.93 56.41 2bbu s PHE 39 Cb -0.09 -1.21 0.03 0.00 -0.63 0.00 0.00 43.02 41.12 2bbu s PHE 39 CO 0.03 0.14 0.35 -1.17 -0.05 0.00 0.00 175.22 174.53 2bbu s LEU 40 N -1.37 0.64 0.01 -1.99 0.20 -1.23 -3.98 118.68 110.97 2bbu s LEU 40 Ca 0.10 -0.36 0.06 0.00 0.69 0.00 0.00 54.13 54.61 2bbu s LEU 40 Cb -0.09 1.64 -0.03 0.00 -0.43 0.00 0.00 46.19 47.27 2bbu s LEU 40 CO 0.03 -0.80 -0.15 -0.51 -0.29 0.00 0.00 176.35 174.62 2bbu s ILE 41 N -3.68 3.00 -0.05 6.68 2.07 -1.26 -2.91 121.20 125.05 2bbu s ILE 41 Ca 0.03 -1.00 0.02 0.00 -1.41 0.00 0.00 60.65 58.29 2bbu s ILE 41 Cb 0.02 -2.25 0.01 0.00 0.13 0.00 0.00 42.46 40.37 2bbu s ILE 41 CO -0.11 0.41 -0.11 -0.60 -1.91 0.00 0.00 174.94 172.62 2bbu s ARG 42 N -1.26 1.45 -0.60 3.50 6.06 0.12 -2.54 118.95 125.69 2bbu s ARG 42 Ca 0.14 -0.38 -0.28 0.00 -2.50 0.00 0.00 55.73 52.71 2bbu s ARG 42 Cb -0.11 -1.25 0.02 0.00 0.06 0.00 0.00 34.95 33.67 2bbu s ARG 42 CO 0.05 0.07 1.39 0.34 -2.50 0.00 0.00 175.30 174.64 2bbu s ASP 43 N 0.49 6.12 0.00 -2.12 -1.08 -1.26 -1.57 116.67 117.26 2bbu s ASP 43 Ca -0.10 0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.05 2bbu s ASP 43 Cb -0.13 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.78 2bbu s ASP 43 CO 0.02 -1.75 0.00 -1.20 0.52 0.00 0.00 175.17 172.77 2bbu n SER 44 N 9.59 0.00 -1.48 -0.34 7.64 0.25 -4.75 113.62 124.53 2bbu n SER 44 Ca 0.11 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.85 2bbu n SER 44 Cb 0.49 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 2bbu n SER 44 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2bbu n SER 45 N 0.00 -4.11 0.00 6.43 2.88 -1.26 -4.25 113.62 113.31 2bbu n SER 45 Ca 0.00 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2bbu n SER 45 Cb 0.00 -3.28 0.00 0.00 -0.75 0.00 0.00 64.21 60.18 2bbu n SER 45 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2bbu n ASP 46 N -0.49 0.00 0.05 -3.46 9.92 -1.26 -4.95 116.55 116.35 2bbu n ASP 46 Ca -0.16 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.23 2bbu n ASP 46 Cb 0.61 0.00 0.32 0.00 -0.64 0.00 0.00 41.12 41.41 2bbu n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bbu n GLN 47 N 0.00 0.17 0.00 -1.24 6.02 -1.26 -4.80 117.38 116.27 2bbu n GLN 47 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 2bbu n GLN 47 Cb 0.00 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 29.62 2bbu n GLN 47 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2bbu n ARG 48 N -1.90 0.00 0.00 -1.09 1.74 -1.26 -5.14 116.66 109.00 2bbu n ARG 48 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2bbu n ARG 48 Cb 0.40 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.84 2bbu n ARG 48 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2bbu n HIS 49 N 0.00 0.00 -2.40 -1.55 8.25 -1.26 -4.67 115.22 113.59 2bbu n HIS 49 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 2bbu n HIS 49 Cb 0.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 2bbu n HIS 49 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2bbu n PHE 50 N 0.00 -4.85 -4.76 4.41 7.35 -1.26 -3.30 117.46 115.04 2bbu n PHE 50 Ca 0.00 2.88 -0.31 0.00 -0.76 0.00 0.00 57.45 59.25 2bbu n PHE 50 Cb 0.00 -3.89 -0.13 0.00 0.35 0.00 0.00 39.48 35.81 2bbu n PHE 50 CO 0.00 0.00 0.00 -0.59 -0.76 0.00 0.00 176.76 175.41 2bbu s PHE 51 N -0.62 2.58 0.16 -5.13 -0.12 -1.26 0.88 117.98 114.47 2bbu s PHE 51 Ca -0.04 -0.24 0.08 0.00 -0.05 0.00 0.00 56.93 56.67 2bbu s PHE 51 Cb 0.00 -1.51 -0.04 0.00 -0.63 0.00 0.00 43.02 40.84 2bbu s PHE 51 CO 0.12 0.22 -0.17 0.99 -0.05 0.00 0.00 175.22 176.32 2bbu s THR 52 N -0.86 1.71 -0.06 -4.49 2.01 -0.61 -4.35 115.64 108.99 2bbu s THR 52 Ca 0.14 -1.89 0.01 0.00 0.31 0.00 0.00 61.69 60.26 2bbu s THR 52 Cb -0.10 -1.78 0.02 0.00 0.01 0.00 0.00 72.50 70.64 2bbu s THR 52 CO 0.04 -0.35 -0.09 -1.48 -0.69 0.00 0.00 174.62 172.05 2bbu s LEU 53 N -2.65 1.46 0.04 4.42 0.05 -1.26 -0.70 118.68 120.04 2bbu s LEU 53 Ca 0.14 -0.24 0.00 0.00 0.05 0.00 0.00 54.13 54.09 2bbu s LEU 53 Cb -0.05 -0.69 -0.03 0.00 -2.05 0.00 0.00 46.19 43.36 2bbu s LEU 53 CO 0.06 -0.02 -0.04 -0.55 -0.55 0.00 0.00 176.35 175.25 2bbu s SER 54 N 0.90 0.46 0.31 1.48 0.15 -1.14 -4.25 113.70 111.61 2bbu s SER 54 Ca -0.11 -0.71 0.03 0.00 0.70 0.00 0.00 55.95 55.86 2bbu s SER 54 Cb -0.15 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.25 2bbu s SER 54 CO 0.01 -0.40 0.15 0.68 1.20 0.00 0.00 173.24 174.88 2bbu s VAL 55 N -2.44 0.38 -0.07 4.45 -7.23 -1.26 -3.47 120.40 110.77 2bbu s VAL 55 Ca -0.06 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.12 2bbu s VAL 55 Cb -0.03 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2bbu s VAL 55 CO -0.04 0.00 -0.08 -0.75 -0.31 0.00 0.00 175.10 173.92 2bbu s LYS 56 N -3.83 2.77 0.00 4.82 2.20 -1.25 -4.10 119.74 120.36 2bbu s LYS 56 Ca 0.35 -0.57 0.00 0.00 -0.36 0.00 0.00 55.97 55.39 2bbu s LYS 56 Cb 0.05 -2.57 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 2bbu s LYS 56 CO 0.17 0.63 0.00 2.41 -0.36 0.00 0.00 175.35 178.20 2bbu n THR 57 N 2.33 0.00 -0.24 3.43 -1.04 -1.26 -3.71 114.28 113.79 2bbu n THR 57 Ca -0.18 0.00 0.32 0.00 -2.04 0.00 0.00 64.05 62.15 2bbu n THR 57 Cb 0.53 0.00 0.67 0.00 -1.82 0.00 0.00 70.33 69.71 2bbu n THR 57 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 2bbu h GLN 58 N 0.00 0.00 0.00 -2.82 4.15 -1.97 -3.40 115.11 111.07 2bbu h GLN 58 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2bbu h GLN 58 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2bbu h GLN 58 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 178.83 177.33 2bbu n SER 59 N -3.76 0.00 -4.58 -0.69 7.64 -1.26 -5.06 113.62 105.91 2bbu n SER 59 Ca 0.23 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.69 2bbu n SER 59 Cb 1.27 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 64.46 2bbu n SER 59 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2bbu s GLY 60 N 0.00 1.53 -0.45 0.23 0.00 -1.26 -4.93 107.32 102.44 2bbu s GLY 60 Ca 0.00 -2.84 -0.19 0.00 0.00 0.00 0.00 44.72 41.69 2bbu s GLY 60 CO 0.00 2.78 0.55 -0.51 0.00 0.00 0.00 173.10 175.92 2bbu s THR 61 N 4.69 4.95 0.27 0.90 -4.23 -1.26 -4.43 115.64 116.53 2bbu s THR 61 Ca 0.55 -0.24 0.02 0.00 -1.18 0.00 0.00 61.69 60.84 2bbu s THR 61 Cb 0.04 -4.16 -0.04 0.00 1.34 0.00 0.00 72.50 69.67 2bbu s THR 61 CO 0.07 -0.58 0.15 -0.75 -0.54 0.00 0.00 174.62 172.98 2bbu s LYS 62 N 2.48 1.46 0.04 3.99 2.20 -1.26 -5.04 119.74 123.62 2bbu s LYS 62 Ca 0.16 -1.81 -0.01 0.00 -0.36 0.00 0.00 55.97 53.95 2bbu s LYS 62 Cb -0.17 0.01 -0.03 0.00 -1.51 0.00 0.00 37.83 36.14 2bbu s LYS 62 CO 0.15 -0.42 -0.02 -0.80 -0.36 0.00 0.00 175.35 173.89 2bbu s ASN 63 N -3.30 0.37 -0.03 1.43 0.01 -1.26 -4.02 114.94 108.14 2bbu s ASN 63 Ca 0.37 -0.76 0.00 0.00 -0.71 0.00 0.00 52.86 51.77 2bbu s ASN 63 Cb 0.06 0.16 0.03 0.00 0.41 0.00 0.00 41.25 41.90 2bbu s ASN 63 CO 0.16 -0.46 0.01 -0.76 -1.51 0.00 0.00 177.10 174.54 2bbu s LEU 64 N -2.24 1.15 0.55 0.60 1.43 -1.26 -5.05 118.68 113.86 2bbu s LEU 64 Ca -0.04 -0.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 2bbu s LEU 64 Cb -0.00 -0.18 -0.07 0.00 0.03 0.00 0.00 46.19 45.97 2bbu s LEU 64 CO -0.06 -0.11 0.99 0.00 0.23 0.00 0.00 176.35 177.41 2bbu s ARG 65 N 1.02 3.83 0.27 1.70 1.70 -1.26 -4.23 118.95 121.98 2bbu s ARG 65 Ca -0.10 0.87 -0.29 0.00 -0.47 0.00 0.00 55.73 55.74 2bbu s ARG 65 Cb -0.13 -2.13 -0.09 0.00 -0.57 0.00 0.00 34.95 32.03 2bbu s ARG 65 CO -0.02 -0.36 1.03 -1.50 -1.08 0.00 0.00 175.30 173.37 2bbu s ILE 66 N -2.80 3.75 -0.30 4.99 1.10 -1.26 -4.92 121.20 121.76 2bbu s ILE 66 Ca 0.57 1.72 -0.19 0.00 -0.51 0.00 0.00 60.65 62.25 2bbu s ILE 66 Cb -0.10 -4.08 -0.01 0.00 0.15 0.00 0.00 42.46 38.41 2bbu s ILE 66 CO 0.39 0.38 0.56 -1.10 -2.11 0.00 0.00 174.94 173.06 2bbu s GLN 67 N -1.43 3.90 -0.32 3.50 -0.21 0.73 -4.83 119.66 120.99 2bbu s GLN 67 Ca 0.44 0.20 -0.13 0.00 0.02 0.00 0.00 55.36 55.89 2bbu s GLN 67 Cb -0.29 -3.72 -0.03 0.00 1.00 0.00 0.00 33.01 29.98 2bbu s GLN 67 CO 0.36 -0.51 0.27 0.00 -2.12 0.00 0.00 175.29 173.29 2bbu s GLU 69 N 1.83 3.07 0.27 0.00 0.41 -0.43 -4.77 118.70 119.09 2bbu s GLU 69 Ca 0.09 -1.13 0.00 0.00 -0.41 0.00 0.00 54.97 53.51 2bbu s GLU 69 Cb -0.17 -4.18 0.00 0.00 -1.78 0.00 0.00 34.13 28.00 2bbu s GLU 69 CO 0.11 -1.35 0.00 0.41 -0.49 0.00 0.00 175.26 173.94 2bbu n GLY 70 N 5.22 1.60 0.00 -1.39 0.00 -1.26 -2.06 105.19 107.31 2bbu n GLY 70 Ca -0.08 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -1.52 3.89 -0.02 0.00 -1.26 -4.48 105.19 101.80 2bbu n GLY 71 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2bbu n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bbu s SER 72 N 0.00 5.60 -0.05 1.61 0.01 -0.87 -3.96 113.70 116.04 2bbu s SER 72 Ca 0.00 -0.32 0.01 0.00 1.31 0.00 0.00 55.95 56.96 2bbu s SER 72 Cb 0.00 -1.21 -0.03 0.00 0.21 0.00 0.00 66.02 64.99 2bbu s SER 72 CO 0.00 -0.28 -0.06 -0.36 0.41 0.00 0.00 173.24 172.94 2bbu s PHE 73 N -2.21 2.93 -0.21 2.43 0.40 -1.21 -1.31 117.98 118.81 2bbu s PHE 73 Ca 0.40 0.01 -0.19 0.00 -0.60 0.00 0.00 56.93 56.54 2bbu s PHE 73 Cb -0.07 -1.68 0.05 0.00 0.51 0.00 0.00 43.02 41.83 2bbu s PHE 73 CO 0.28 0.35 0.55 -1.54 0.70 0.00 0.00 175.22 175.56 2bbu s SER 74 N -1.01 -0.58 -0.47 1.36 1.04 0.22 -3.98 113.70 110.28 2bbu s SER 74 Ca 0.14 1.12 0.08 0.00 0.48 0.00 0.00 55.95 57.77 2bbu s SER 74 Cb -0.11 1.13 0.37 0.00 0.10 0.00 0.00 66.02 67.51 2bbu s SER 74 CO 0.03 -0.19 0.90 -0.11 0.98 0.00 0.00 173.24 174.85 2bbu n LEU 75 N 2.78 3.06 0.00 2.42 0.00 -1.26 0.26 117.00 124.26 2bbu n LEU 75 Ca -0.14 -5.22 0.00 0.00 0.00 0.00 0.00 56.01 50.66 2bbu n LEU 75 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 43.42 43.94 2bbu n LEU 75 CO 0.08 2.24 0.00 0.00 0.00 0.00 0.00 177.39 179.72 2bbu n GLN 76 N -0.09 0.00 -0.22 1.96 1.13 -1.26 -4.98 117.38 113.92 2bbu n GLN 76 Ca 0.28 0.00 0.03 0.00 -1.94 0.00 0.00 57.00 55.37 2bbu n GLN 76 Cb 0.55 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.90 2bbu n GLN 76 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2bbu n SER 77 N -2.48 -5.54 -4.64 1.08 2.88 -1.26 -4.60 113.62 99.07 2bbu n SER 77 Ca 0.00 0.24 -0.40 0.00 -1.33 0.00 0.00 58.87 57.38 2bbu n SER 77 Cb 0.00 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 62.73 2bbu n SER 77 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2bbu s ASP 78 N -4.44 6.61 -0.98 -3.46 -1.08 -1.26 -4.94 116.67 107.11 2bbu s ASP 78 Ca 0.00 0.74 -0.06 0.00 -0.52 0.00 0.00 52.55 52.71 2bbu s ASP 78 Cb 0.00 -2.33 -0.07 0.00 -1.46 0.00 0.00 42.92 39.06 2bbu s ASP 78 CO 0.00 -0.31 2.30 -0.81 0.52 0.00 0.00 175.17 176.87 2bbu n PRO 79 N 5.38 2.34 -0.38 4.34 -0.04 -1.26 -4.53 135.00 140.84 2bbu n PRO 79 Ca -0.01 -1.54 0.03 0.00 -0.04 0.00 0.00 63.50 61.94 2bbu n PRO 79 Cb 0.49 -2.47 0.17 0.00 -0.04 0.00 0.00 33.50 31.65 2bbu n PRO 79 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bbu n ARG 80 N 3.97 2.65 0.00 0.54 5.12 -1.26 -4.17 116.66 123.50 2bbu n ARG 80 Ca 0.50 -1.33 0.06 0.00 -1.93 0.00 0.00 57.85 55.15 2bbu n ARG 80 Cb 0.18 -1.82 0.32 0.00 -1.16 0.00 0.00 32.46 29.98 2bbu n ARG 80 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2bbu n SER 81 N 0.26 0.00 -0.54 0.55 7.64 -1.26 -4.80 113.62 115.47 2bbu n SER 81 Ca 0.12 0.11 -0.07 0.00 1.01 0.00 0.00 58.87 60.03 2bbu n SER 81 Cb 0.65 -0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.53 2bbu n SER 81 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2bbu n THR 82 N -1.29 0.00 -3.02 0.44 -1.04 -1.26 -3.87 114.28 104.25 2bbu n THR 82 Ca 0.06 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2bbu n THR 82 Cb 0.10 -1.30 -0.00 0.00 -1.82 0.00 0.00 70.33 67.31 2bbu n THR 82 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2bbu n GLN 83 N -0.16 -1.51 0.00 -2.82 7.27 -1.26 -4.96 117.38 113.93 2bbu n GLN 83 Ca -0.07 1.52 0.00 0.00 0.07 0.00 0.00 57.00 58.53 2bbu n GLN 83 Cb 0.55 -2.33 0.00 0.00 2.41 0.00 0.00 30.24 30.86 2bbu n GLN 83 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2bbu n PRO 84 N 1.35 0.00 -3.87 3.69 -0.04 -1.25 -4.97 135.00 129.91 2bbu n PRO 84 Ca -0.03 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.20 2bbu n PRO 84 Cb 0.32 -0.58 -0.05 0.00 -0.04 0.00 0.00 33.50 33.14 2bbu n PRO 84 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bbu s VAL 85 N -0.27 2.44 0.17 0.52 0.11 -1.26 -5.05 120.40 117.07 2bbu s VAL 85 Ca 0.00 -1.54 -0.31 0.00 -2.93 0.00 0.00 61.98 57.21 2bbu s VAL 85 Cb 0.00 -2.98 -0.09 0.00 -1.53 0.00 0.00 36.38 31.79 2bbu s VAL 85 CO 0.00 0.00 1.37 -2.16 -3.33 0.00 0.00 175.10 170.98 2bbu s PRO 86 N -4.01 4.34 -1.51 1.54 0.04 -1.26 -2.53 135.00 131.60 2bbu s PRO 86 Ca 0.44 2.12 -0.13 0.00 0.04 0.00 0.00 61.00 63.47 2bbu s PRO 86 Cb 0.01 -3.20 0.08 0.00 0.04 0.00 0.00 34.50 31.43 2bbu s PRO 86 CO 0.25 -0.36 0.94 0.54 0.04 0.00 0.00 177.00 178.41 2bbu n ARG 87 N 3.13 -5.46 -1.70 4.56 1.74 -1.25 -4.94 116.66 112.74 2bbu n ARG 87 Ca 0.09 0.61 -0.30 0.00 -0.77 0.00 0.00 57.85 57.48 2bbu n ARG 87 Cb 0.42 -5.50 0.07 0.00 -1.02 0.00 0.00 32.46 26.43 2bbu n ARG 87 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2bbu s PHE 88 N -3.26 3.03 -0.45 -1.55 -0.71 -1.05 -4.74 117.98 109.24 2bbu s PHE 88 Ca 0.63 1.09 -0.26 0.00 -1.04 0.00 0.00 56.93 57.34 2bbu s PHE 88 Cb -0.31 -3.12 0.03 0.00 -1.21 0.00 0.00 43.02 38.40 2bbu s PHE 88 CO 0.78 -1.55 0.97 0.16 -1.34 0.00 0.00 175.22 174.24 2bbu s ASP 89 N -4.12 6.55 0.21 1.98 -4.77 -1.26 -3.34 116.67 111.92 2bbu s ASP 89 Ca 0.60 0.25 0.23 0.00 -3.30 0.00 0.00 52.55 50.33 2bbu s ASP 89 Cb -0.13 -2.47 0.11 0.00 -1.09 0.00 0.00 42.92 39.34 2bbu s ASP 89 CO 0.53 -1.07 1.16 0.00 0.70 0.00 0.00 175.17 176.49 2bbu h VAL 91 N 0.00 0.28 -0.36 0.00 2.07 -1.90 0.14 116.25 116.49 2bbu h VAL 91 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2bbu h VAL 91 Cb 0.94 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2bbu h VAL 91 CO 0.00 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 177.67 2bbu h LEU 92 N 0.00 0.20 -0.88 2.57 3.38 -1.98 0.36 115.31 118.95 2bbu h LEU 92 Ca 0.29 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 58.18 2bbu h LEU 92 Cb 1.59 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.32 2bbu h LEU 92 CO -0.00 0.15 -0.35 0.11 0.09 0.00 0.00 178.44 178.44 2bbu h LYS 93 N 0.32 0.41 -0.33 1.13 1.79 -1.02 -2.67 116.57 116.19 2bbu h LYS 93 Ca 0.16 -0.18 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 2bbu h LYS 93 Cb 0.10 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 2bbu h LYS 93 CO -0.13 0.71 0.22 -0.07 -1.08 0.00 0.00 179.45 179.09 2bbu h LEU 94 N 0.35 0.36 -1.36 2.94 3.38 -0.73 -2.24 115.31 118.01 2bbu h LEU 94 Ca 0.04 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.17 2bbu h LEU 94 Cb 0.78 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 2bbu h LEU 94 CO 0.06 0.26 0.58 -0.37 0.09 0.00 0.00 178.44 179.06 2bbu h VAL 95 N 0.43 0.77 -0.13 1.22 -1.51 -0.62 1.34 116.25 117.75 2bbu h VAL 95 Ca 0.12 -0.20 0.04 0.00 -1.23 0.00 0.00 66.70 65.44 2bbu h VAL 95 Cb -0.02 0.14 -0.05 0.00 -2.13 0.00 0.00 31.29 29.23 2bbu h VAL 95 CO -0.03 0.11 -0.20 0.45 -1.23 0.00 0.00 177.57 176.67 2bbu h HIS 96 N 0.58 -0.52 0.01 5.19 3.86 -1.54 5.58 115.15 128.31 2bbu h HIS 96 Ca 0.46 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.69 2bbu h HIS 96 Cb 0.89 0.25 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2bbu h HIS 96 CO -0.00 -0.28 -0.00 1.25 0.86 0.00 0.00 177.93 179.76 2bbu h HIS 97 N -0.25 -0.01 0.00 2.45 6.17 -1.33 -3.31 115.15 118.86 2bbu h HIS 97 Ca 0.10 -0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.16 2bbu h HIS 97 Cb 0.40 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.33 2bbu h HIS 97 CO -0.31 0.67 -0.08 -0.92 0.71 0.00 0.00 177.93 178.00 2bbu h TYR 98 N -0.99 0.00 -4.00 5.26 3.20 0.18 -3.44 116.97 117.18 2bbu h TYR 98 Ca -0.00 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.54 2bbu h TYR 98 Cb 0.68 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.87 2bbu h TYR 98 CO 0.19 0.08 -0.31 -1.33 -1.64 0.00 0.00 178.16 175.15 2bbu n MET 99 N -3.32 0.40 -2.46 1.82 2.81 1.81 -4.92 117.12 113.26 2bbu n MET 99 Ca -0.01 -2.23 -0.41 0.00 -1.81 0.00 0.00 57.70 53.25 2bbu n MET 99 Cb 0.27 1.63 -0.04 0.00 -0.71 0.00 0.00 33.22 34.36 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 -2.94 4.58 0.28 0.03 0.04 -1.21 -4.04 135.00 131.74 2bbu s PRO 100 Ca 0.22 1.79 0.11 0.00 0.04 0.00 0.00 61.00 63.16 2bbu s PRO 100 Cb 0.01 -3.24 0.37 0.00 0.04 0.00 0.00 34.50 31.69 2bbu s PRO 100 CO 0.16 0.07 1.62 -1.00 0.04 0.00 0.00 177.00 177.89 2bbu h PRO 101 N 4.75 0.00 -5.43 0.56 0.13 -1.80 -3.39 132.00 126.81 2bbu h PRO 101 Ca -0.45 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.18 2bbu h PRO 101 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 2bbu h PRO 101 CO 0.71 0.60 1.67 -0.35 -0.23 0.00 0.00 178.00 180.40 2bbu n PRO 102 N -3.79 2.19 0.00 1.56 -0.04 -1.26 -4.94 135.00 128.72 2bbu n PRO 102 Ca -0.01 -2.69 0.00 0.00 -0.04 0.00 0.00 63.50 60.76 2bbu n PRO 102 Cb 0.61 -3.56 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 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 5.46 -3.18 2.72 0.55 0.00 -1.26 -5.05 105.19 104.42 2bbu n GLY 103 Ca 0.47 -1.22 -0.00 0.00 0.00 0.00 0.00 46.02 45.27 2bbu n GLY 103 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bbu s THR 104 N 0.00 -0.18 -0.54 2.61 -1.32 -1.26 -5.03 115.64 109.93 2bbu s THR 104 Ca 0.00 -0.07 -0.05 0.00 -1.21 0.00 0.00 61.69 60.36 2bbu s THR 104 Cb 0.00 0.00 -0.12 0.00 -1.51 0.00 0.00 72.50 70.87 2bbu s THR 104 CO 0.00 0.00 2.41 -0.81 -2.21 0.00 0.00 174.62 174.01 2bbu n PRO 105 N 3.24 1.87 -3.52 7.08 -0.04 -1.26 -4.49 135.00 137.87 2bbu n PRO 105 Ca 0.08 -1.13 -0.19 0.00 -0.04 0.00 0.00 63.50 62.21 2bbu n PRO 105 Cb 0.64 -2.18 0.06 0.00 -0.04 0.00 0.00 33.50 31.99 2bbu n PRO 105 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bbu n SER 106 N 3.38 -2.66 -3.89 3.54 2.88 -1.26 -5.00 113.62 110.61 2bbu n SER 106 Ca 0.40 -0.74 -0.20 0.00 -1.33 0.00 0.00 58.87 56.99 2bbu n SER 106 Cb 0.37 -4.60 -0.16 0.00 -0.75 0.00 0.00 64.21 59.07 2bbu n SER 106 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2bbu s PHE 107 N -3.49 0.77 0.00 0.66 -0.71 -1.26 -5.14 117.98 108.80 2bbu s PHE 107 Ca 0.11 -0.22 0.00 0.00 -1.04 0.00 0.00 56.93 55.78 2bbu s PHE 107 Cb -0.02 -0.69 0.00 0.00 -1.21 0.00 0.00 43.02 41.09 2bbu s PHE 107 CO 0.77 -0.21 0.00 -1.13 -1.34 0.00 0.00 175.22 173.31 2bbu n SER 108 N 4.13 -0.61 -3.41 1.98 3.41 -1.26 -5.00 113.62 112.86 2bbu n SER 108 Ca -0.23 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.11 2bbu n SER 108 Cb 0.51 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.35 2bbu n SER 108 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2bbu s LEU 109 N 0.00 0.93 0.28 1.04 2.96 -1.26 -4.97 118.68 117.66 2bbu s LEU 109 Ca 0.00 -2.37 0.11 0.00 -0.22 0.00 0.00 54.13 51.65 2bbu s LEU 109 Cb 0.00 -0.25 0.39 0.00 0.50 0.00 0.00 46.19 46.83 2bbu s LEU 109 CO 0.00 -0.26 1.63 1.55 -1.32 0.00 0.00 176.35 177.95 2bbu h PRO 110 N 6.57 0.00 -6.50 0.98 0.13 -2.06 -3.43 132.00 127.69 2bbu h PRO 110 Ca 0.12 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.72 2bbu h PRO 110 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.10 2bbu h PRO 110 CO 0.28 0.59 0.54 -1.25 -0.23 0.00 0.00 178.00 177.94 2bbu s PRO 111 N -3.63 4.45 0.00 1.56 0.04 -1.26 -4.99 135.00 131.17 2bbu s PRO 111 Ca -0.01 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2bbu s PRO 111 Cb 0.13 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.32 2bbu s PRO 111 CO 0.76 -0.21 0.00 0.25 0.04 0.00 0.00 177.00 177.83 2bbu n THR 112 N 3.75 0.00 -1.57 1.26 -2.24 -1.26 -4.75 114.28 109.46 2bbu n THR 112 Ca 0.08 0.00 -0.45 0.00 -2.27 0.00 0.00 64.05 61.41 2bbu n THR 112 Cb 0.47 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 2bbu n THR 112 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2bbu n GLU 113 N -0.23 1.82 -1.05 -0.78 0.00 -1.26 -4.81 120.64 114.34 2bbu n GLU 113 Ca 0.00 0.51 -0.34 0.00 0.00 0.00 0.00 57.16 57.34 2bbu n GLU 113 Cb 0.00 -3.05 -0.03 0.00 0.00 0.00 0.00 31.44 28.36 2bbu n GLU 113 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2bbu n PRO 114 N 8.54 2.10 -3.69 5.31 -0.04 -1.26 -4.74 135.00 141.21 2bbu n PRO 114 Ca 0.32 -1.79 -0.30 0.00 -0.04 0.00 0.00 63.50 61.69 2bbu n PRO 114 Cb 0.40 -2.74 -0.13 0.00 -0.04 0.00 0.00 33.50 30.98 2bbu n PRO 114 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2bbu s SER 115 N 3.86 3.63 -0.14 3.54 0.15 -1.26 -4.98 113.70 118.50 2bbu s SER 115 Ca 0.49 -2.47 -0.03 0.00 0.70 0.00 0.00 55.95 54.65 2bbu s SER 115 Cb 0.13 -0.96 -0.05 0.00 -1.71 0.00 0.00 66.02 63.44 2bbu s SER 115 CO 0.01 -0.29 2.70 -1.54 1.20 0.00 0.00 173.24 175.33 2bbu n SER 116 N 3.75 5.71 0.00 5.45 3.41 -1.26 -3.70 113.62 126.97 2bbu n SER 116 Ca 0.08 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 2bbu n SER 116 Cb 0.36 -1.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 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 1.53 0.00 -2.83 4.33 2.13 -1.26 -5.10 120.64 119.45 2bbu n GLU 117 Ca 0.29 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 58.03 2bbu n GLU 117 Cb 0.67 -0.34 0.01 0.00 0.27 0.00 0.00 31.44 32.04 2bbu n GLU 117 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2bbu n VAL 118 N -1.27-11.01 -0.75 6.31 0.31 -1.24 -4.76 118.33 105.91 2bbu n VAL 118 Ca 0.00 0.89 -0.16 0.00 -0.01 0.00 0.00 64.34 65.06 2bbu n VAL 118 Cb 0.00 -7.27 -0.07 0.00 -0.91 0.00 0.00 33.84 25.59 2bbu n VAL 118 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2bbu n PRO 119 N -0.29 1.82 -2.36 5.55 -0.04 -1.26 -4.85 135.00 133.57 2bbu n PRO 119 Ca 0.12 -1.10 -0.12 0.00 -0.04 0.00 0.00 63.50 62.36 2bbu n PRO 119 Cb 0.45 -2.15 0.02 0.00 -0.04 0.00 0.00 33.50 31.79 2bbu n PRO 119 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2bbu n GLU 120 N 3.32 0.88 -3.45 0.54 0.28 -1.26 -4.80 120.64 116.15 2bbu n GLU 120 Ca 0.39 -1.81 -0.25 0.00 -0.16 0.00 0.00 57.16 55.33 2bbu n GLU 120 Cb 0.39 -0.01 0.02 0.00 1.43 0.00 0.00 31.44 33.27 2bbu n GLU 120 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 2bbu n GLN 121 N -1.52 -1.80 -2.26 3.44 7.27 -1.26 -4.79 117.38 116.45 2bbu n GLN 121 Ca 0.05 1.32 -0.43 0.00 0.07 0.00 0.00 57.00 58.02 2bbu n GLN 121 Cb 0.34 -3.14 -0.02 0.00 2.41 0.00 0.00 30.24 29.82 2bbu n GLN 121 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2bbu s PRO 122 N -3.36 3.70 -0.99 3.69 0.04 -1.26 -4.90 135.00 131.91 2bbu s PRO 122 Ca 0.19 1.28 -0.14 0.00 0.04 0.00 0.00 61.00 62.37 2bbu s PRO 122 Cb -0.03 -4.01 -0.09 0.00 0.04 0.00 0.00 34.50 30.42 2bbu s PRO 122 CO 0.85 -1.41 2.12 -0.35 0.04 0.00 0.00 177.00 178.25 2bbu n PRO 123 N 7.80 2.09 0.00 0.56 -0.04 -1.26 -4.81 135.00 139.34 2bbu n PRO 123 Ca 0.17 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 2bbu n PRO 123 Cb 0.47 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 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 5.79 0.00 -2.48 0.55 0.00 -1.26 -4.30 120.51 118.81 2bbu n ALA 124 Ca 0.51 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.52 2bbu n ALA 124 Cb 0.29 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.65 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 0.00 3.08 0.46 0.00 2.00 -1.26 -5.05 119.66 118.89 2bbu s GLN 125 Ca 0.00 -0.87 0.02 0.00 -2.00 0.00 0.00 55.36 52.51 2bbu s GLN 125 Cb 0.00 -3.96 -0.02 0.00 0.80 0.00 0.00 33.01 29.84 2bbu s GLN 125 CO 0.00 -0.76 0.07 0.00 -0.50 0.00 0.00 175.29 174.11 2bbu s ALA 126 N 1.86 3.54 -0.05 1.58 0.00 -1.26 -5.15 121.76 122.28 2bbu s ALA 126 Ca 0.08 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.29 2bbu s ALA 126 Cb -0.18 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.36 2bbu s ALA 126 CO 0.11 -0.19 -0.09 -1.17 0.00 0.00 0.00 175.76 174.43 2bbu s LEU 127 N -3.75 1.55 -0.06 0.00 0.20 -1.26 -5.04 118.68 110.33 2bbu s LEU 127 Ca 0.14 -0.23 -0.24 0.00 0.69 0.00 0.00 54.13 54.50 2bbu s LEU 127 Cb 0.02 -0.67 -0.19 0.00 -0.43 0.00 0.00 46.19 44.92 2bbu s LEU 127 CO 0.09 0.01 0.97 1.55 -0.29 0.00 0.00 176.35 178.67 2bbu h PRO 128 N 6.99 -0.11 0.00 0.98 0.13 -2.05 -3.50 132.00 134.44 2bbu h PRO 128 Ca -0.34 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2bbu h PRO 128 Cb 1.17 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2bbu h PRO 128 CO 0.48 0.42 0.00 0.41 -0.23 0.00 0.00 178.00 179.08 2bbu n GLY 129 N 0.66 2.26 0.00 1.56 0.00 -1.26 -5.12 105.19 103.29 2bbu n GLY 129 Ca -0.08 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2bbu n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bbu n SER 130 N 0.00 0.00 -4.59 1.61 7.64 -1.26 -5.06 113.62 111.96 2bbu n SER 130 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 2bbu n SER 130 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 2bbu n SER 130 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2bbu s THR 131 N 0.00 4.72 0.00 0.44 2.01 -1.26 -5.04 115.64 116.52 2bbu s THR 131 Ca 0.00 0.97 0.00 0.00 0.31 0.00 0.00 61.69 62.97 2bbu s THR 131 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.30 2bbu s THR 131 CO 0.00 -0.42 0.00 -0.81 -0.69 0.00 0.00 174.62 172.70 2bbu n PRO 132 N 6.43 0.48 -1.00 4.92 -0.04 -1.26 -4.90 135.00 139.63 2bbu n PRO 132 Ca 0.04 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.28 2bbu n PRO 132 Cb 0.48 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.03 2bbu n PRO 132 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2bbu n LYS 133 N -0.41 2.07 -3.69 0.54 4.81 -1.26 -4.89 118.16 115.33 2bbu n LYS 133 Ca 0.00 -2.25 -0.14 0.00 -0.87 0.00 0.00 58.31 55.05 2bbu n LYS 133 Cb 0.00 -1.88 -0.08 0.00 0.02 0.00 0.00 35.03 33.09 2bbu n LYS 133 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2bbu s ARG 134 N -2.56 0.78 0.00 1.64 0.52 -1.26 -4.96 118.95 113.11 2bbu s ARG 134 Ca 0.44 -0.10 0.00 0.00 -0.52 0.00 0.00 55.73 55.55 2bbu s ARG 134 Cb 0.35 0.36 0.00 0.00 0.52 0.00 0.00 34.95 36.18 2bbu s ARG 134 CO 0.03 -0.23 0.00 0.00 0.02 0.00 0.00 175.30 175.12 2bbu n ALA 135 N 1.12 0.00 -2.99 2.13 0.00 -1.26 -5.09 120.51 114.42 2bbu n ALA 135 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.88 2bbu n ALA 135 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.90 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 3.10 0.23 0.00 1.13 -1.26 -5.00 117.35 115.55 2bbu s TYR 136 Ca 0.00 -0.29 -0.16 0.00 -1.41 0.00 0.00 57.07 55.21 2bbu s TYR 136 Cb 0.00 -2.11 0.01 0.00 -1.10 0.00 0.00 41.96 38.77 2bbu s TYR 136 CO 0.00 -0.14 0.54 1.52 -2.51 0.00 0.00 175.55 174.96 2bbu s TYR 137 N 0.91 0.04 0.05 -3.49 -0.85 -1.26 -2.80 117.35 109.96 2bbu s TYR 137 Ca 0.02 -0.42 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 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 0.02 -1.01 0.16 0.42 -1.52 0.00 0.00 175.55 173.62 2bbu s ILE 138 N -3.94 5.10 -0.16 -3.49 1.09 -0.89 -4.88 121.20 114.02 2bbu s ILE 138 Ca 0.14 -0.47 -0.10 0.00 -1.10 0.00 0.00 60.65 59.13 2bbu s ILE 138 Cb -0.02 -3.45 -0.05 0.00 -1.06 0.00 0.00 42.46 37.88 2bbu s ILE 138 CO 0.03 0.18 0.17 -0.31 -0.10 0.00 0.00 174.94 174.91 2bbu s TYR 139 N -1.42 3.48 0.00 3.97 1.51 -1.26 -1.65 117.35 121.97 2bbu s TYR 139 Ca 0.31 0.45 0.00 0.00 -1.01 0.00 0.00 57.07 56.82 2bbu s TYR 139 Cb -0.13 -2.13 0.00 0.00 -0.11 0.00 0.00 41.96 39.59 2bbu s TYR 139 CO 0.24 0.42 0.00 0.43 -1.11 0.00 0.00 175.55 175.52 2bbu n SER 140 N 3.05 0.00 -0.31 2.29 7.64 -0.18 -4.90 113.62 121.20 2bbu n SER 140 Ca -0.16 -0.28 0.13 0.00 1.01 0.00 0.00 58.87 59.57 2bbu n SER 140 Cb 0.53 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.00 2bbu n SER 140 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2bbu h GLY 141 N 0.00 1.24 -0.83 0.23 0.00 -2.05 -3.32 103.07 98.33 2bbu h GLY 141 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2bbu h GLY 141 CO 0.00 -0.44 0.00 0.61 0.00 0.00 0.00 176.54 176.71 2bbu n GLY 142 N -1.44 1.00 3.15 4.60 0.00 -1.26 -5.10 105.19 106.14 2bbu n GLY 142 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 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 2.96 -0.55 1.61 0.41 -1.25 -5.07 118.70 116.81 2bbu s GLU 143 Ca 0.00 -0.83 -0.28 0.00 -0.41 0.00 0.00 54.97 53.45 2bbu s GLU 143 Cb 0.00 -2.43 0.01 0.00 -1.78 0.00 0.00 34.13 29.93 2bbu s GLU 143 CO 0.00 -0.06 1.44 0.15 -0.49 0.00 0.00 175.26 176.30 2bbu s LYS 144 N 0.93 3.29 -0.42 1.61 1.02 -1.26 -1.01 119.74 123.90 2bbu s LYS 144 Ca -0.04 0.52 -0.21 0.00 0.02 0.00 0.00 55.97 56.26 2bbu s LYS 144 Cb -0.15 -4.13 0.02 0.00 -0.52 0.00 0.00 37.83 33.05 2bbu s LYS 144 CO -0.04 -1.94 0.63 0.42 -0.92 0.00 0.00 175.35 173.50 2bbu s ILE 145 N 6.16 4.85 0.01 2.17 1.09 -0.66 -4.98 121.20 129.84 2bbu s ILE 145 Ca 0.54 0.18 -0.30 0.00 -1.10 0.00 0.00 60.65 59.97 2bbu s ILE 145 Cb -0.11 -4.18 -0.04 0.00 -1.06 0.00 0.00 42.46 37.07 2bbu s ILE 145 CO 0.26 -0.54 1.12 -2.16 -0.10 0.00 0.00 174.94 173.52 2bbu s PRO 146 N 2.78 4.46 -0.13 2.79 0.04 -1.26 -2.09 135.00 141.58 2bbu s PRO 146 Ca 0.23 1.63 0.01 0.00 0.04 0.00 0.00 61.00 62.90 2bbu s PRO 146 Cb -0.14 -3.43 0.02 0.00 0.04 0.00 0.00 34.50 30.99 2bbu s PRO 146 CO 0.18 -0.23 -0.15 -0.51 0.04 0.00 0.00 177.00 176.33 2bbu s LEU 147 N 1.28 1.73 -0.30 -3.56 2.01 -1.12 -4.87 118.68 113.85 2bbu s LEU 147 Ca 0.56 -0.46 -0.10 0.00 0.01 0.00 0.00 54.13 54.13 2bbu s LEU 147 Cb -0.26 -1.15 -0.02 0.00 0.01 0.00 0.00 46.19 44.77 2bbu s LEU 147 CO 0.27 -0.01 0.17 0.54 1.01 0.00 0.00 176.35 178.33 2bbu s VAL 148 N 1.18 4.89 -0.14 -1.59 0.11 -1.26 -4.10 120.40 119.50 2bbu s VAL 148 Ca -0.02 -0.18 -0.03 0.00 -2.93 0.00 0.00 61.98 58.82 2bbu s VAL 148 Cb -0.14 -3.42 -0.03 0.00 -1.53 0.00 0.00 36.38 31.26 2bbu s VAL 148 CO -0.05 0.14 -0.03 -1.48 -3.33 0.00 0.00 175.10 170.35 2bbu s LEU 149 N 1.68 3.31 0.00 2.54 0.05 -1.26 -4.93 118.68 120.07 2bbu s LEU 149 Ca 0.06 -0.07 0.00 0.00 0.05 0.00 0.00 54.13 54.17 2bbu s LEU 149 Cb -0.17 -1.79 0.00 0.00 -2.05 0.00 0.00 46.19 42.19 2bbu s LEU 149 CO 0.08 0.22 0.44 -1.54 -0.55 0.00 0.00 176.35 175.00 2bbu n SER 150 N 3.21 -0.37 -4.33 1.48 3.41 -1.26 -4.26 113.62 111.50 2bbu n SER 150 Ca -0.18 -0.88 -0.34 0.00 -0.26 0.00 0.00 58.87 57.22 2bbu n SER 150 Cb 0.53 0.11 -0.14 0.00 -0.26 0.00 0.00 64.21 64.45 2bbu n SER 150 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2bbu s ARG 151 N 0.00 3.36 0.06 4.33 3.00 -1.26 -4.90 118.95 123.53 2bbu s ARG 151 Ca 0.00 -0.67 -0.31 0.00 0.00 0.00 0.00 55.73 54.76 2bbu s ARG 151 Cb 0.00 -2.79 -0.06 0.00 0.00 0.00 0.00 34.95 32.10 2bbu s ARG 151 CO 0.00 0.00 1.22 -1.25 0.00 0.00 0.00 175.30 175.27 2bbu s PRO 152 N 0.91 4.42 -0.14 3.54 0.04 -1.26 -2.59 135.00 139.92 2bbu s PRO 152 Ca -0.02 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 62.63 2bbu s PRO 152 Cb -0.15 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.01 2bbu s PRO 152 CO -0.00 -0.28 0.48 -1.17 0.04 0.00 0.00 177.00 176.07 2bbu s LEU 153 N 1.11 4.24 0.00 -3.56 2.96 -1.26 -4.75 118.68 117.42 2bbu s LEU 153 Ca 0.59 0.77 0.00 0.00 -0.22 0.00 0.00 54.13 55.27 2bbu s LEU 153 Cb -0.30 -2.69 0.00 0.00 0.50 0.00 0.00 46.19 43.70 2bbu s LEU 153 CO 0.29 -0.04 0.00 -1.20 -1.32 0.00 0.00 176.35 174.08 2bbu n SER 154 N 3.95 0.00 0.00 3.68 7.64 -1.26 -4.78 113.62 122.84 2bbu n SER 154 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2bbu n SER 154 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2bbu n SER 154 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2bbu n SER 155 N 2.15 0.00 -0.12 6.43 7.64 -1.26 -5.16 113.62 123.30 2bbu n SER 155 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 2bbu n SER 155 Cb 0.00 0.00 0.84 0.00 -1.01 0.00 0.00 64.21 64.04 2bbu n SER 155 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83