#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 0.71 -0.81 4.31 -0.00 -1.82 -2.53 116.97 116.83 2bbu h TYR 2 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 58.73 58.61 2bbu h TYR 2 Cb 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 36.73 36.49 2bbu h TYR 2 CO 0.00 0.67 0.35 -0.56 -0.00 0.00 0.00 178.16 178.62 2bbu h GLN 3 N 0.64 1.19 -0.14 0.10 3.07 -1.97 0.41 115.11 118.41 2bbu h GLN 3 Ca 0.13 -0.20 -0.03 0.00 0.09 0.00 0.00 58.65 58.65 2bbu h GLN 3 Cb 0.38 -0.20 -0.00 0.00 0.08 0.00 0.00 27.48 27.73 2bbu h GLN 3 CO 0.01 0.94 -0.02 -0.07 0.09 0.00 0.00 178.83 179.79 2bbu h LEU 4 N 1.17 0.27 -0.13 0.06 3.38 -1.91 -0.70 115.31 117.44 2bbu h LEU 4 Ca 0.27 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 2bbu h LEU 4 Cb 0.18 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2bbu h LEU 4 CO -0.03 0.55 -0.09 1.62 0.09 0.00 0.00 178.44 180.59 2bbu h VAL 5 N -0.02 1.33 -0.04 1.22 3.04 -1.30 -2.01 116.25 118.46 2bbu h VAL 5 Ca 0.04 -1.17 0.01 0.00 -1.01 0.00 0.00 66.70 64.57 2bbu h VAL 5 Cb 0.43 1.83 -0.01 0.00 -2.01 0.00 0.00 31.29 31.52 2bbu h VAL 5 CO 0.01 0.34 -0.03 0.58 -1.01 0.00 0.00 177.57 177.46 2bbu h VAL 6 N -0.07 0.91 -0.87 1.51 2.07 -0.22 0.58 116.25 120.16 2bbu h VAL 6 Ca 0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 2bbu h VAL 6 Cb 0.58 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 2bbu h VAL 6 CO 0.02 0.00 0.57 0.78 0.02 0.00 0.00 177.57 178.97 2bbu h ASN 7 N -0.03 0.94 -0.08 0.57 -0.26 -1.15 -1.80 115.58 113.77 2bbu h ASN 7 Ca 0.03 -0.01 -0.19 0.00 -0.56 0.00 0.00 56.30 55.56 2bbu h ASN 7 Cb 0.07 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.12 2bbu h ASN 7 CO -0.06 0.64 -0.66 0.00 -1.06 0.00 0.00 177.43 176.30 2bbu h ALA 8 N 1.49 0.49 -0.97 -0.83 0.00 -0.68 -3.07 119.26 115.70 2bbu h ALA 8 Ca 0.34 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 54.77 2bbu h ALA 8 Cb 0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2bbu h ALA 8 CO -0.10 0.70 0.62 0.28 0.00 0.00 0.00 179.25 180.75 2bbu h VAL 9 N 0.51 1.05 -0.13 0.00 2.07 0.95 1.06 116.25 121.76 2bbu h VAL 9 Ca -0.02 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.15 2bbu h VAL 9 Cb 1.25 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 2bbu h VAL 9 CO 0.13 0.20 0.02 0.03 0.02 0.00 0.00 177.57 177.97 2bbu h ARG 10 N 1.09 0.07 0.05 1.57 3.08 -1.29 0.65 114.38 119.61 2bbu h ARG 10 Ca 0.43 -0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.24 2bbu h ARG 10 Cb 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 2bbu h ARG 10 CO -0.17 0.05 -1.06 0.87 -1.07 0.00 0.00 179.97 178.58 2bbu h LYS 11 N 0.07 0.20 -0.15 0.04 1.57 -1.38 -3.15 116.57 113.78 2bbu h LYS 11 Ca 0.06 -0.29 -0.12 0.00 -1.87 0.00 0.00 60.65 58.44 2bbu h LYS 11 Cb 0.06 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2bbu h LYS 11 CO -0.08 1.08 -0.37 1.25 -0.57 0.00 0.00 179.45 180.77 2bbu h LEU 12 N 0.08 0.57 -0.84 2.94 6.46 0.14 0.51 115.31 125.17 2bbu h LEU 12 Ca -0.08 -0.58 -0.01 0.00 -0.12 0.00 0.00 57.88 57.09 2bbu h LEU 12 Cb 1.76 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 41.49 2bbu h LEU 12 CO 0.16 1.05 0.48 0.06 -0.62 0.00 0.00 178.44 179.57 2bbu h GLN 13 N 0.12 1.16 0.02 1.25 3.07 0.22 1.68 115.11 122.63 2bbu h GLN 13 Ca -0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 58.65 58.61 2bbu h GLN 13 Cb 0.98 -0.23 0.00 0.00 0.08 0.00 0.00 27.48 28.30 2bbu h GLN 13 CO 0.08 0.84 -0.01 1.49 0.09 0.00 0.00 178.83 181.31 2bbu h GLU 14 N 1.16 -0.03 -0.13 0.06 4.81 -1.56 -0.22 114.58 118.67 2bbu h GLU 14 Ca 0.30 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.38 2bbu h GLU 14 Cb -0.00 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.39 2bbu h GLU 14 CO -0.05 0.70 -0.49 0.66 -0.73 0.00 0.00 179.01 179.10 2bbu h SER 15 N -0.89 0.66 -1.00 1.04 4.64 -0.86 -3.23 113.55 113.91 2bbu h SER 15 Ca -0.00 -0.61 -0.58 0.00 -0.47 0.00 0.00 61.79 60.12 2bbu h SER 15 Cb 0.74 -0.19 -0.30 0.00 -0.31 0.00 0.00 62.40 62.34 2bbu h SER 15 CO 0.01 1.16 0.75 0.61 -0.87 0.00 0.00 176.83 178.48 2bbu n GLY 16 N 0.61 5.05 3.18 -0.77 0.00 0.57 -4.90 105.19 108.93 2bbu n GLY 16 Ca -0.07 -1.58 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.06 -0.59 -3.29 1.61 1.16 -0.82 -4.75 117.46 109.72 2bbu n PHE 17 Ca 0.61 0.32 -0.39 0.00 -1.87 0.00 0.00 57.45 56.12 2bbu n PHE 17 Cb 1.27 -1.13 -0.07 0.00 -1.61 0.00 0.00 39.48 37.94 2bbu n PHE 17 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2bbu s TYR 18 N -2.87 3.33 0.05 2.97 5.04 -0.16 -3.81 117.35 121.91 2bbu s TYR 18 Ca 0.21 0.67 0.07 0.00 -2.44 0.00 0.00 57.07 55.58 2bbu s TYR 18 Cb -0.12 -2.64 -0.03 0.00 0.35 0.00 0.00 41.96 39.52 2bbu s TYR 18 CO 0.50 -0.14 -0.20 1.67 -1.34 0.00 0.00 175.55 176.04 2bbu s TRP 19 N 1.79 1.71 -0.32 4.97 1.48 -1.26 -4.11 118.94 123.21 2bbu s TRP 19 Ca 0.21 -0.38 -0.01 0.00 -1.06 0.00 0.00 56.10 54.87 2bbu s TRP 19 Cb -0.15 -1.00 0.07 0.00 -1.16 0.00 0.00 33.47 31.22 2bbu s TRP 19 CO 0.09 0.10 0.03 -1.12 -4.06 0.00 0.00 176.95 171.99 2bbu s SER 20 N -1.30 4.89 0.00 -2.66 0.01 -1.26 -4.59 113.70 108.79 2bbu s SER 20 Ca 0.06 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.82 2bbu s SER 20 Cb -0.09 -1.71 0.00 0.00 0.21 0.00 0.00 66.02 64.43 2bbu s SER 20 CO 0.02 -0.31 0.14 0.00 0.41 0.00 0.00 173.24 173.50 2bbu n ALA 21 N 4.56 1.26 -3.00 1.44 0.00 -1.26 -4.95 120.51 118.57 2bbu n ALA 21 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2bbu n ALA 21 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 -2.32 0.00 0.24 -1.26 -5.09 118.33 109.90 2bbu n VAL 22 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 2bbu n VAL 22 Cb 0.49 0.00 0.12 0.00 -1.47 0.00 0.00 33.84 32.98 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 0.88 2.14 0.00 3.34 2.01 -1.26 -4.76 115.64 117.99 2bbu s THR 23 Ca 0.00 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.64 2bbu s THR 23 Cb 0.00 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.73 2bbu s THR 23 CO 0.00 0.00 0.74 0.61 -0.69 0.00 0.00 174.62 175.28 2bbu n GLY 24 N -3.11 -2.89 0.08 4.40 0.00 -1.26 -1.12 105.19 101.29 2bbu n GLY 24 Ca 0.14 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 0.12 1.22 -0.02 0.00 -2.00 -3.25 103.07 99.15 2bbu h GLY 25 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.08 2bbu h GLY 25 CO 0.00 0.24 0.45 -2.09 0.00 0.00 0.00 176.54 175.15 2bbu h GLU 26 N 0.03 0.82 0.14 4.80 4.57 -1.95 0.57 114.58 123.56 2bbu h GLU 26 Ca -0.05 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 2bbu h GLU 26 Cb 1.78 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 30.19 2bbu h GLU 26 CO 0.15 0.54 -0.07 0.00 -1.18 0.00 0.00 179.01 178.46 2bbu h ALA 27 N 1.60 -0.19 -0.27 2.92 0.00 -1.15 0.45 119.26 122.62 2bbu h ALA 27 Ca 0.27 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2bbu h ALA 27 Cb 0.04 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2bbu h ALA 27 CO -0.07 -0.58 -0.28 -0.91 0.00 0.00 0.00 179.25 177.41 2bbu h ASN 28 N -0.23 0.72 0.31 0.00 2.35 -1.48 -3.25 115.58 114.01 2bbu h ASN 28 Ca -0.02 -0.47 -0.13 0.00 -0.55 0.00 0.00 56.30 55.12 2bbu h ASN 28 Cb 0.18 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 2bbu h ASN 28 CO 0.03 1.05 -0.54 -0.07 -1.65 0.00 0.00 177.43 176.25 2bbu h LEU 29 N 0.41 0.27 -1.49 1.61 4.07 0.20 -3.20 115.31 117.18 2bbu h LEU 29 Ca 0.04 -0.14 0.12 0.00 0.08 0.00 0.00 57.88 57.98 2bbu h LEU 29 Cb 0.85 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 42.46 2bbu h LEU 29 CO 0.07 0.76 0.49 0.17 -1.08 0.00 0.00 178.44 178.85 2bbu h LEU 30 N 0.19 0.49 -0.90 1.67 8.10 -0.11 0.57 115.31 125.32 2bbu h LEU 30 Ca 0.00 0.02 -0.09 0.00 0.11 0.00 0.00 57.88 57.92 2bbu h LEU 30 Cb 1.01 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 41.14 2bbu h LEU 30 CO 0.08 0.28 -0.12 0.17 -4.11 0.00 0.00 178.44 174.74 2bbu h LEU 31 N 0.54 0.66 -0.87 0.17 8.10 -1.67 -1.59 115.31 120.65 2bbu h LEU 31 Ca 0.35 -0.19 -0.12 0.00 0.11 0.00 0.00 57.88 58.03 2bbu h LEU 31 Cb 0.63 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.66 2bbu h LEU 31 CO -0.12 0.81 -0.44 0.77 -4.11 0.00 0.00 178.44 175.35 2bbu h SER 32 N 0.62 0.28 1.88 0.17 4.64 -1.05 0.37 113.55 120.45 2bbu h SER 32 Ca 0.11 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 2bbu h SER 32 Cb 0.57 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 2bbu h SER 32 CO 0.04 0.69 -0.13 0.00 -0.87 0.00 0.00 176.83 176.56 2bbu h ALA 33 N 1.32 0.93 -1.81 5.18 0.00 -0.92 -3.39 119.26 120.58 2bbu h ALA 33 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2bbu h ALA 33 Cb 0.87 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2bbu h ALA 33 CO 0.07 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.80 2bbu n GLU 34 N -3.10 0.00 -1.39 0.00 1.02 -0.63 -4.84 120.64 111.70 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 0.56 -0.03 -0.04 0.00 -0.02 0.00 0.00 31.44 31.91 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 -1.64 1.90 -1.67 3.49 -0.04 0.10 -4.94 135.00 132.20 2bbu n PRO 35 Ca 0.00 -2.12 -0.42 0.00 -0.04 0.00 0.00 63.50 60.92 2bbu n PRO 35 Cb 0.00 -3.08 -0.00 0.00 -0.04 0.00 0.00 33.50 30.38 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 7.57 0.87 -1.00 0.55 0.00 -1.21 -1.70 120.51 125.57 2bbu n ALA 36 Ca 0.50 0.32 -0.00 0.00 0.00 0.00 0.00 53.44 54.26 2bbu n ALA 36 Cb 0.41 -2.19 -0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 0.92 0.41 3.07 0.00 0.00 -1.26 -5.03 105.19 103.29 2bbu n GLY 37 Ca 0.07 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.00 0.67 0.29 2.61 2.01 -0.69 -4.33 115.64 114.19 2bbu s THR 38 Ca 0.00 -0.92 0.09 0.00 0.31 0.00 0.00 61.69 61.17 2bbu s THR 38 Cb 0.00 -0.67 -0.06 0.00 0.01 0.00 0.00 72.50 71.78 2bbu s THR 38 CO 0.00 -0.20 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.26 2bbu s PHE 39 N -1.03 2.11 0.10 4.92 0.08 -1.23 -4.43 117.98 118.51 2bbu s PHE 39 Ca -0.05 -0.55 -0.15 0.00 0.12 0.00 0.00 56.93 56.31 2bbu s PHE 39 Cb -0.08 -1.11 0.03 0.00 -0.57 0.00 0.00 43.02 41.28 2bbu s PHE 39 CO 0.01 0.47 0.35 -1.17 -0.10 0.00 0.00 175.22 174.78 2bbu s LEU 40 N -3.48 0.65 -0.11 -0.37 0.20 -1.21 -3.82 118.68 110.54 2bbu s LEU 40 Ca 0.29 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.80 2bbu s LEU 40 Cb 0.01 1.63 -0.00 0.00 -0.43 0.00 0.00 46.19 47.40 2bbu s LEU 40 CO 0.13 -0.79 -0.22 -0.51 -0.29 0.00 0.00 176.35 174.66 2bbu s ILE 41 N -3.61 2.19 0.18 6.68 -1.16 -1.26 -2.46 121.20 121.76 2bbu s ILE 41 Ca 0.02 -0.97 0.08 0.00 -0.51 0.00 0.00 60.65 59.27 2bbu s ILE 41 Cb 0.02 -1.85 -0.04 0.00 0.61 0.00 0.00 42.46 41.20 2bbu s ILE 41 CO -0.10 0.55 -0.03 0.00 -2.81 0.00 0.00 174.94 172.55 2bbu s ARG 42 N 0.41 2.29 -0.18 3.50 1.04 -0.28 -3.99 118.95 121.74 2bbu s ARG 42 Ca -0.16 -1.19 -0.09 0.00 -1.04 0.00 0.00 55.73 53.25 2bbu s ARG 42 Cb -0.17 -2.28 -0.05 0.00 -2.04 0.00 0.00 34.95 30.41 2bbu s ARG 42 CO 0.07 0.44 0.13 0.34 -0.04 0.00 0.00 175.30 176.24 2bbu s ASP 43 N -2.97 6.24 0.75 -2.89 2.15 -1.26 -2.14 116.67 116.54 2bbu s ASP 43 Ca 0.27 0.28 -0.15 0.00 0.43 0.00 0.00 52.55 53.37 2bbu s ASP 43 Cb -0.09 -2.08 0.01 0.00 -0.30 0.00 0.00 42.92 40.46 2bbu s ASP 43 CO 0.18 0.23 0.90 -1.20 -0.17 0.00 0.00 175.17 175.10 2bbu n SER 44 N 3.19 0.14 -0.17 -0.34 7.64 -1.22 -4.86 113.62 118.00 2bbu n SER 44 Ca -0.17 0.63 -0.03 0.00 1.01 0.00 0.00 58.87 60.31 2bbu n SER 44 Cb 0.53 -1.38 0.03 0.00 -1.01 0.00 0.00 64.21 62.38 2bbu n SER 44 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2bbu h SER 45 N -0.43 -0.70 -3.94 6.43 0.02 -1.95 -3.40 113.55 109.57 2bbu h SER 45 Ca -0.47 0.18 -0.46 0.00 -0.84 0.00 0.00 61.79 60.20 2bbu h SER 45 Cb 1.33 0.41 -0.02 0.00 0.14 0.00 0.00 62.40 64.26 2bbu h SER 45 CO 0.45 -0.23 0.35 -1.81 -1.14 0.00 0.00 176.83 174.45 2bbu s ASP 46 N -5.19 7.17 0.00 3.07 1.11 -1.26 -4.95 116.67 116.63 2bbu s ASP 46 Ca -0.14 1.81 0.27 0.00 0.18 0.00 0.00 52.55 54.67 2bbu s ASP 46 Cb 0.17 -2.57 0.86 0.00 1.07 0.00 0.00 42.92 42.46 2bbu s ASP 46 CO 0.72 -0.19 1.63 0.00 1.18 0.00 0.00 175.17 178.51 2bbu n GLN 47 N 0.16 1.38 -1.33 8.23 0.00 -1.26 -4.20 117.38 120.36 2bbu n GLN 47 Ca 0.04 -0.84 -0.28 0.00 0.00 0.00 0.00 57.00 55.92 2bbu n GLN 47 Cb 0.51 -1.48 0.02 0.00 0.00 0.00 0.00 30.24 29.29 2bbu n GLN 47 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 2bbu n ARG 48 N -0.08 2.33 0.00 2.61 1.85 -1.26 -4.35 116.66 117.77 2bbu n ARG 48 Ca 0.16 -2.50 0.00 0.00 -1.00 0.00 0.00 57.85 54.51 2bbu n ARG 48 Cb 0.37 -2.03 0.00 0.00 -1.05 0.00 0.00 32.46 29.75 2bbu n ARG 48 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2bbu n HIS 49 N 0.07 0.00 0.00 2.89 8.25 -1.26 -4.79 115.22 120.38 2bbu n HIS 49 Ca 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2bbu n HIS 49 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 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 -4.39 4.41 1.16 -1.26 -4.63 117.46 112.75 2bbu n PHE 50 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.28 2bbu n PHE 50 Cb 0.00 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.75 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 -2.00 2.56 0.15 2.97 -0.12 -1.26 -3.38 117.98 116.91 2bbu s PHE 51 Ca 0.00 -0.25 0.07 0.00 -0.05 0.00 0.00 56.93 56.71 2bbu s PHE 51 Cb 0.00 -1.39 -0.04 0.00 -0.63 0.00 0.00 43.02 40.96 2bbu s PHE 51 CO 0.00 0.36 -0.16 0.95 -0.05 0.00 0.00 175.22 176.31 2bbu s THR 52 N -1.09 1.62 0.16 -4.49 -4.23 -0.91 -3.84 115.64 102.86 2bbu s THR 52 Ca 0.17 -1.86 0.09 0.00 -1.18 0.00 0.00 61.69 58.91 2bbu s THR 52 Cb -0.11 -1.74 -0.04 0.00 1.34 0.00 0.00 72.50 71.95 2bbu s THR 52 CO 0.09 -0.37 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.38 2bbu s LEU 53 N -2.63 2.41 0.04 4.79 0.20 0.27 -1.13 118.68 122.63 2bbu s LEU 53 Ca 0.14 -0.83 0.00 0.00 0.69 0.00 0.00 54.13 54.13 2bbu s LEU 53 Cb -0.05 -0.89 -0.03 0.00 -0.43 0.00 0.00 46.19 44.79 2bbu s LEU 53 CO 0.05 0.01 -0.04 -0.94 -0.29 0.00 0.00 176.35 175.14 2bbu s SER 54 N -2.53 0.48 0.36 3.68 1.04 -1.03 0.18 113.70 115.88 2bbu s SER 54 Ca 0.15 -0.69 0.03 0.00 0.48 0.00 0.00 55.95 55.92 2bbu s SER 54 Cb -0.07 0.12 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 2bbu s SER 54 CO 0.07 -0.38 0.10 0.68 0.98 0.00 0.00 173.24 174.69 2bbu s VAL 55 N -2.32 0.78 -0.03 5.02 -7.23 -1.10 -3.30 120.40 112.23 2bbu s VAL 55 Ca -0.06 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.17 2bbu s VAL 55 Cb -0.04 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.34 2bbu s VAL 55 CO -0.04 0.00 -0.23 -0.75 -0.31 0.00 0.00 175.10 173.77 2bbu s LYS 56 N -3.82 2.27 -0.26 4.82 2.36 -1.26 -3.65 119.74 120.20 2bbu s LYS 56 Ca 0.30 -0.88 -0.28 0.00 -2.55 0.00 0.00 55.97 52.57 2bbu s LYS 56 Cb 0.05 -2.13 0.17 0.00 -1.05 0.00 0.00 37.83 34.87 2bbu s LYS 56 CO 0.15 0.54 1.27 0.95 1.55 0.00 0.00 175.35 179.81 2bbu s THR 57 N -0.55 0.00 0.00 3.43 -4.23 -1.26 -4.69 115.64 108.34 2bbu s THR 57 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 2bbu s THR 57 Cb -0.11 -1.00 0.00 0.00 1.34 0.00 0.00 72.50 72.73 2bbu s THR 57 CO 0.00 0.00 0.00 1.67 -0.54 0.00 0.00 174.62 175.75 2bbu n GLN 58 N 1.02 0.00 0.00 3.99 0.00 -1.26 -2.91 117.38 118.23 2bbu n GLN 58 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.94 2bbu n GLN 58 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 2bbu n GLN 58 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2bbu n SER 59 N 1.36 0.00 -4.42 1.69 2.88 -1.26 -5.11 113.62 108.76 2bbu n SER 59 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2bbu n SER 59 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2bbu n SER 59 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2bbu s GLY 60 N 0.00 1.81 -0.32 0.46 0.00 -1.14 -5.07 107.32 103.06 2bbu s GLY 60 Ca 0.00 -1.30 -0.14 0.00 0.00 0.00 0.00 44.72 43.27 2bbu s GLY 60 CO 0.00 0.63 0.33 -1.08 0.00 0.00 0.00 173.10 172.98 2bbu s THR 61 N 1.59 5.20 0.28 0.90 -1.32 -1.26 -4.36 115.64 116.67 2bbu s THR 61 Ca 0.05 0.10 0.07 0.00 -1.21 0.00 0.00 61.69 60.71 2bbu s THR 61 Cb -0.16 -3.76 -0.03 0.00 -1.51 0.00 0.00 72.50 67.03 2bbu s THR 61 CO 0.05 -0.01 0.20 -0.54 -2.21 0.00 0.00 174.62 172.11 2bbu s LYS 62 N 1.96 2.81 -0.06 7.08 3.01 -1.24 -4.92 119.74 128.37 2bbu s LYS 62 Ca 0.11 -1.16 0.06 0.00 -1.01 0.00 0.00 55.97 53.97 2bbu s LYS 62 Cb -0.16 -2.50 -0.01 0.00 -1.01 0.00 0.00 37.83 34.15 2bbu s LYS 62 CO 0.11 0.32 -0.23 -0.80 0.51 0.00 0.00 175.35 175.26 2bbu s ASN 63 N -3.87 3.23 -0.20 2.83 0.01 -1.26 -2.69 114.94 112.99 2bbu s ASN 63 Ca 0.35 -0.46 -0.08 0.00 -0.71 0.00 0.00 52.86 51.96 2bbu s ASN 63 Cb -0.07 -0.85 -0.04 0.00 0.41 0.00 0.00 41.25 40.70 2bbu s ASN 63 CO 0.25 0.26 0.07 -0.76 -1.51 0.00 0.00 177.10 175.41 2bbu s LEU 64 N -0.22 3.74 -0.04 0.60 2.01 0.47 -4.91 118.68 120.32 2bbu s LEU 64 Ca -0.01 0.01 0.06 0.00 0.01 0.00 0.00 54.13 54.19 2bbu s LEU 64 Cb -0.13 -1.96 -0.02 0.00 0.01 0.00 0.00 46.19 44.09 2bbu s LEU 64 CO 0.03 0.11 -0.22 0.00 1.01 0.00 0.00 176.35 177.29 2bbu s ARG 65 N 0.74 2.40 0.35 1.70 1.04 -1.26 -0.57 118.95 123.34 2bbu s ARG 65 Ca 0.04 -0.84 -0.19 0.00 -1.04 0.00 0.00 55.73 53.69 2bbu s ARG 65 Cb -0.13 -2.20 -0.10 0.00 -2.04 0.00 0.00 34.95 30.48 2bbu s ARG 65 CO 0.02 0.51 0.84 -1.50 -0.04 0.00 0.00 175.30 175.13 2bbu s ILE 66 N -0.48 4.50 0.12 4.99 1.10 -1.25 -4.59 121.20 125.58 2bbu s ILE 66 Ca 0.06 1.31 0.07 0.00 -0.51 0.00 0.00 60.65 61.58 2bbu s ILE 66 Cb -0.11 -3.70 -0.04 0.00 0.15 0.00 0.00 42.46 38.76 2bbu s ILE 66 CO 0.01 -0.13 -0.09 -1.58 -2.11 0.00 0.00 174.94 171.04 2bbu s GLN 67 N -2.78 2.15 -0.21 3.50 2.00 0.75 -4.81 119.66 120.27 2bbu s GLN 67 Ca 0.55 -1.07 -0.09 0.00 -2.00 0.00 0.00 55.36 52.75 2bbu s GLN 67 Cb -0.12 -2.29 -0.04 0.00 0.80 0.00 0.00 33.01 31.36 2bbu s GLN 67 CO 0.17 0.49 0.10 0.00 -0.50 0.00 0.00 175.29 175.56 2bbu s GLU 69 N 0.65 1.61 0.00 0.00 2.12 0.11 -4.90 118.70 118.29 2bbu s GLU 69 Ca 0.06 -1.64 0.00 0.00 0.36 0.00 0.00 54.97 53.75 2bbu s GLU 69 Cb -0.13 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 31.26 2bbu s GLU 69 CO 0.01 -0.83 0.00 0.41 -0.54 0.00 0.00 175.26 174.31 2bbu n GLY 70 N 4.36 0.30 0.96 -1.50 0.00 -1.26 -1.74 105.19 106.31 2bbu n GLY 70 Ca -0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 2bbu n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbu n GLY 71 N 0.00 0.64 3.17 -0.02 0.00 -1.26 -4.84 105.19 102.89 2bbu n GLY 71 Ca 0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.95 1.01 0.10 1.61 1.04 -0.71 -4.36 113.70 111.44 2bbu s SER 72 Ca 0.04 -1.06 0.07 0.00 0.48 0.00 0.00 55.95 55.49 2bbu s SER 72 Cb 0.05 0.13 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 2bbu s SER 72 CO -0.02 -0.52 -0.10 -0.36 0.98 0.00 0.00 173.24 173.22 2bbu s PHE 73 N -3.70 2.74 -0.15 5.02 0.40 -1.26 0.08 117.98 121.11 2bbu s PHE 73 Ca 0.15 -0.16 -0.13 0.00 -0.60 0.00 0.00 56.93 56.19 2bbu s PHE 73 Cb 0.06 -1.43 0.04 0.00 0.51 0.00 0.00 43.02 42.20 2bbu s PHE 73 CO -0.03 0.43 0.40 0.45 0.70 0.00 0.00 175.22 177.16 2bbu s SER 74 N -2.21 -0.42 -0.01 1.36 0.15 0.95 -4.24 113.70 109.28 2bbu s SER 74 Ca 0.21 0.80 0.20 0.00 0.70 0.00 0.00 55.95 57.87 2bbu s SER 74 Cb -0.11 0.80 -0.23 0.00 -1.71 0.00 0.00 66.02 64.77 2bbu s SER 74 CO 0.14 -0.14 0.55 -0.11 1.20 0.00 0.00 173.24 174.88 2bbu n LEU 75 N 3.03 0.31 -4.83 3.45 7.94 -1.26 0.27 117.00 125.90 2bbu n LEU 75 Ca -0.14 0.13 -0.35 0.00 -1.11 0.00 0.00 56.01 54.54 2bbu n LEU 75 Cb 0.57 0.11 -0.06 0.00 0.53 0.00 0.00 43.42 44.56 2bbu n LEU 75 CO 0.13 0.10 -0.21 -1.10 -1.11 0.00 0.00 177.39 175.20 2bbu s GLN 76 N -3.16 3.28 -1.09 1.96 -0.21 -1.26 -4.74 119.66 114.44 2bbu s GLN 76 Ca -0.06 -0.31 -0.14 0.00 0.02 0.00 0.00 55.36 54.87 2bbu s GLN 76 Cb 0.11 -3.03 0.19 0.00 1.00 0.00 0.00 33.01 31.27 2bbu s GLN 76 CO 0.85 0.71 1.24 -1.12 -2.12 0.00 0.00 175.29 174.85 2bbu s SER 77 N -1.41 6.98 -0.07 5.90 0.01 -1.26 -4.99 113.70 118.86 2bbu s SER 77 Ca 0.20 -2.85 0.00 0.00 1.31 0.00 0.00 55.95 54.61 2bbu s SER 77 Cb -0.12 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 2bbu s SER 77 CO 0.10 -0.72 -0.05 1.51 0.41 0.00 0.00 173.24 174.49 2bbu s ASP 78 N 2.69 4.81 -0.66 2.44 -4.77 -1.26 -4.99 116.67 114.93 2bbu s ASP 78 Ca 0.36 0.02 -0.06 0.00 -3.30 0.00 0.00 52.55 49.58 2bbu s ASP 78 Cb -0.05 -1.26 -0.11 0.00 -1.09 0.00 0.00 42.92 40.41 2bbu s ASP 78 CO -0.05 0.36 2.40 -0.81 0.70 0.00 0.00 175.17 177.78 2bbu n PRO 79 N 2.22 2.01 0.06 2.11 -0.04 -1.26 -4.35 135.00 135.74 2bbu n PRO 79 Ca -0.18 -1.25 -0.21 0.00 -0.04 0.00 0.00 63.50 61.82 2bbu n PRO 79 Cb 0.53 -2.26 -0.15 0.00 -0.04 0.00 0.00 33.50 31.59 2bbu n PRO 79 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2bbu h ARG 80 N 5.24 0.35 0.00 0.54 2.43 -1.96 -3.50 114.38 117.48 2bbu h ARG 80 Ca 0.40 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2bbu h ARG 80 Cb 0.50 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2bbu h ARG 80 CO 1.05 1.25 0.00 0.43 -1.51 0.00 0.00 179.97 181.20 2bbu n SER 81 N -3.54 -3.08 -3.41 -3.80 7.64 -1.26 -4.72 113.62 101.44 2bbu n SER 81 Ca -0.24 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.42 2bbu n SER 81 Cb 1.07 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 64.23 2bbu n SER 81 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2bbu n THR 82 N -0.47 0.00 -1.16 0.44 5.66 -1.26 -3.89 114.28 113.60 2bbu n THR 82 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2bbu n THR 82 Cb 0.00 -0.26 0.00 0.00 -1.55 0.00 0.00 70.33 68.52 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 -3.07 -2.92 0.13 1.09 -0.06 -1.26 -4.93 117.38 106.35 2bbu n GLN 83 Ca 0.06 2.19 -0.06 0.00 -2.00 0.00 0.00 57.00 57.20 2bbu n GLN 83 Cb 0.42 -2.27 -0.03 0.00 -4.06 0.00 0.00 30.24 24.30 2bbu n GLN 83 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2bbu h PRO 84 N 1.96 -0.37 -5.33 3.69 0.13 -1.92 -3.48 132.00 126.68 2bbu h PRO 84 Ca 0.00 0.03 -0.49 0.00 -0.87 0.00 0.00 66.00 64.67 2bbu h PRO 84 Cb 0.00 0.08 -0.14 0.00 0.13 0.00 0.00 31.00 31.08 2bbu h PRO 84 CO 0.00 -0.25 -0.63 0.14 -0.23 0.00 0.00 178.00 177.03 2bbu s VAL 85 N -2.84 1.38 0.16 1.56 -7.23 -1.26 -5.07 120.40 107.10 2bbu s VAL 85 Ca -0.06 -2.04 -0.30 0.00 -1.81 0.00 0.00 61.98 57.77 2bbu s VAL 85 Cb 0.01 -2.68 -0.08 0.00 0.56 0.00 0.00 36.38 34.19 2bbu s VAL 85 CO 0.17 -0.11 1.30 -2.16 -0.31 0.00 0.00 175.10 173.98 2bbu s PRO 86 N -3.83 4.39 0.00 4.82 0.04 -1.26 -4.24 135.00 134.92 2bbu s PRO 86 Ca 0.34 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.38 2bbu s PRO 86 Cb 0.07 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.38 2bbu s PRO 86 CO 0.14 -0.28 0.00 -2.13 0.04 0.00 0.00 177.00 174.78 2bbu n ARG 87 N 3.10 0.00 0.00 4.56 3.00 -1.26 -3.20 116.66 122.86 2bbu n ARG 87 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 2bbu n ARG 87 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.89 2bbu n ARG 87 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 2bbu n PHE 88 N 0.00 0.00 -2.23 -0.14 -1.74 -1.26 -3.23 117.46 108.86 2bbu n PHE 88 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 2bbu n PHE 88 Cb 0.00 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 40.98 2bbu n PHE 88 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 2bbu s ASP 89 N 0.00 6.19 0.00 5.98 1.01 -1.19 -4.16 116.67 124.51 2bbu s ASP 89 Ca 0.00 0.99 0.00 0.00 0.71 0.00 0.00 52.55 54.25 2bbu s ASP 89 Cb 0.00 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2bbu s ASP 89 CO 0.00 -1.52 0.00 0.00 0.21 0.00 0.00 175.17 173.86 2bbu h VAL 91 N 0.00 0.67 -0.31 0.00 3.04 -1.76 1.99 116.25 119.87 2bbu h VAL 91 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 2bbu h VAL 91 Cb 0.00 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 29.93 2bbu h VAL 91 CO 0.00 0.00 0.11 -0.07 -1.01 0.00 0.00 177.57 176.60 2bbu h LEU 92 N -0.01 0.44 -1.98 3.16 3.38 -1.94 -1.32 115.31 117.04 2bbu h LEU 92 Ca 0.16 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 2bbu h LEU 92 Cb 0.24 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2bbu h LEU 92 CO -0.34 0.50 -0.01 0.50 0.09 0.00 0.00 178.44 179.18 2bbu h LYS 93 N 0.35 0.00 -0.55 1.13 3.64 -1.59 -1.25 116.57 118.30 2bbu h LYS 93 Ca 0.10 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2bbu h LYS 93 Cb 0.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 2bbu h LYS 93 CO -0.01 0.01 0.36 1.25 -2.27 0.00 0.00 179.45 178.80 2bbu h LEU 94 N 0.00 0.46 -0.85 5.20 5.85 0.43 -1.33 115.31 125.06 2bbu h LEU 94 Ca -0.00 0.00 0.12 0.00 0.84 0.00 0.00 57.88 58.84 2bbu h LEU 94 Cb 0.02 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 40.87 2bbu h LEU 94 CO 0.00 0.30 0.48 0.58 -0.34 0.00 0.00 178.44 179.46 2bbu h VAL 95 N 0.52 0.85 -0.07 1.05 2.07 -1.13 2.07 116.25 121.61 2bbu h VAL 95 Ca 0.24 -0.26 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 2bbu h VAL 95 Cb 0.27 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2bbu h VAL 95 CO -0.07 0.14 -0.39 0.45 0.02 0.00 0.00 177.57 177.73 2bbu h HIS 96 N 0.76 0.16 0.09 1.57 3.86 -1.39 -1.81 115.15 118.39 2bbu h HIS 96 Ca 0.43 -0.04 -0.21 0.00 -1.16 0.00 0.00 60.37 59.40 2bbu h HIS 96 Cb 0.48 -0.04 0.02 0.00 1.06 0.00 0.00 27.41 28.94 2bbu h HIS 96 CO -0.06 0.51 -0.86 1.25 0.86 0.00 0.00 177.93 179.62 2bbu h HIS 97 N 0.12 0.69 0.00 2.45 6.17 0.03 -3.20 115.15 121.40 2bbu h HIS 97 Ca 0.01 -0.44 -0.01 0.00 0.71 0.00 0.00 60.37 60.64 2bbu h HIS 97 Cb 0.74 -0.05 -0.00 0.00 2.52 0.00 0.00 27.41 30.62 2bbu h HIS 97 CO 0.01 1.30 -0.04 1.88 0.71 0.00 0.00 177.93 181.79 2bbu h TYR 98 N -0.12 0.00 -4.83 5.26 0.05 0.32 -3.42 116.97 114.23 2bbu h TYR 98 Ca -0.13 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.11 2bbu h TYR 98 Cb 1.61 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 39.24 2bbu h TYR 98 CO 0.16 0.04 -0.44 -1.33 -1.05 0.00 0.00 178.16 175.54 2bbu n MET 99 N -3.35 0.62 -2.47 4.88 2.81 -0.69 -4.73 117.12 114.20 2bbu n MET 99 Ca -0.02 -3.30 -0.42 0.00 -1.81 0.00 0.00 57.70 52.15 2bbu n MET 99 Cb 0.18 1.71 -0.03 0.00 -0.71 0.00 0.00 33.22 34.37 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 -3.50 4.40 -0.38 0.03 0.04 -0.74 -4.73 135.00 130.12 2bbu s PRO 100 Ca 0.18 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 2bbu s PRO 100 Cb 0.01 -3.47 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2bbu s PRO 100 CO 0.13 -0.33 1.50 -1.25 0.04 0.00 0.00 177.00 177.08 2bbu s PRO 101 N 1.64 3.55 0.00 0.56 0.04 -1.26 -4.95 135.00 134.58 2bbu s PRO 101 Ca 0.57 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2bbu s PRO 101 Cb -0.26 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2bbu s PRO 101 CO 0.25 -1.60 0.00 -0.35 0.04 0.00 0.00 177.00 175.34 2bbu n PRO 102 N 8.11 0.00 0.00 0.56 -0.04 -1.26 -5.01 135.00 137.36 2bbu n PRO 102 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2bbu n PRO 102 Cb 0.48 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 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 2.09 1.68 3.64 0.55 0.00 -1.26 -5.09 105.19 106.80 2bbu n GLY 103 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.00 0.00 0.00 2.61 -1.32 -1.26 -5.12 115.64 108.55 2bbu s THR 104 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2bbu s THR 104 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 2bbu s THR 104 CO 0.00 0.00 0.01 -0.81 -2.21 0.00 0.00 174.62 171.61 2bbu n PRO 105 N 1.72 0.00 -3.15 7.08 -0.04 -1.26 -5.03 135.00 134.33 2bbu n PRO 105 Ca -0.11 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.41 2bbu n PRO 105 Cb 0.57 -0.19 -0.00 0.00 -0.04 0.00 0.00 33.50 33.83 2bbu n PRO 105 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2bbu s SER 106 N -1.35 -0.35 0.00 3.54 1.04 -1.26 -5.18 113.70 110.15 2bbu s SER 106 Ca 0.00 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.51 2bbu s SER 106 Cb 0.00 1.24 0.00 0.00 0.10 0.00 0.00 66.02 67.36 2bbu s SER 106 CO 0.00 -0.06 0.00 2.22 0.98 0.00 0.00 173.24 176.38 2bbu n PHE 107 N 5.19 0.00 -3.54 5.02 1.16 -1.26 -5.14 117.46 118.89 2bbu n PHE 107 Ca 0.05 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.41 2bbu n PHE 107 Cb 0.57 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.30 2bbu n PHE 107 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 2bbu s SER 108 N 0.04 2.03 -0.10 5.98 0.01 -1.26 -5.11 113.70 115.29 2bbu s SER 108 Ca 0.00 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.42 2bbu s SER 108 Cb 0.00 0.07 -0.03 0.00 0.21 0.00 0.00 66.02 66.27 2bbu s SER 108 CO 0.00 -0.35 1.35 -0.22 0.41 0.00 0.00 173.24 174.42 2bbu s LEU 109 N 2.23 4.25 0.13 2.44 0.20 -1.26 -4.97 118.68 121.70 2bbu s LEU 109 Ca 0.05 1.89 -0.30 0.00 0.69 0.00 0.00 54.13 56.46 2bbu s LEU 109 Cb -0.16 -3.54 -0.07 0.00 -0.43 0.00 0.00 46.19 41.99 2bbu s LEU 109 CO -0.16 -0.75 1.21 -2.16 -0.29 0.00 0.00 176.35 174.20 2bbu s PRO 110 N 3.18 4.46 0.00 0.98 0.04 -1.26 -4.90 135.00 137.50 2bbu s PRO 110 Ca 0.60 1.85 0.22 0.00 0.04 0.00 0.00 61.00 63.70 2bbu s PRO 110 Cb -0.26 -3.28 1.27 0.00 0.04 0.00 0.00 34.50 32.27 2bbu s PRO 110 CO 0.21 -0.18 1.67 -0.35 0.04 0.00 0.00 177.00 178.39 2bbu n PRO 111 N 3.16 0.64 -0.31 0.56 -0.04 -1.26 -3.86 135.00 133.89 2bbu n PRO 111 Ca 0.07 0.01 0.34 0.00 -0.04 0.00 0.00 63.50 63.87 2bbu n PRO 111 Cb 0.45 -1.50 0.60 0.00 -0.04 0.00 0.00 33.50 33.01 2bbu n PRO 111 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2bbu h THR 112 N 0.00 0.08 -3.29 0.52 1.35 -2.02 -3.36 112.91 106.19 2bbu h THR 112 Ca 0.00 0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 65.27 2bbu h THR 112 Cb 0.02 0.12 -0.10 0.00 -1.73 0.00 0.00 68.15 66.45 2bbu h THR 112 CO 0.00 0.00 -0.36 -1.61 -0.25 0.00 0.00 175.52 173.30 2bbu s GLU 113 N -4.61 4.25 0.97 4.72 0.41 -1.25 -5.08 118.70 118.11 2bbu s GLU 113 Ca -0.04 0.04 -0.13 0.00 -0.41 0.00 0.00 54.97 54.43 2bbu s GLU 113 Cb 0.18 -3.43 0.17 0.00 -1.78 0.00 0.00 34.13 29.27 2bbu s GLU 113 CO 0.61 0.24 1.13 -1.25 -0.49 0.00 0.00 175.26 175.50 2bbu s PRO 114 N 0.47 0.69 -0.29 0.39 0.04 -1.26 -5.07 135.00 129.97 2bbu s PRO 114 Ca 0.15 0.29 0.04 0.00 0.04 0.00 0.00 61.00 61.52 2bbu s PRO 114 Cb -0.13 -1.79 0.20 0.00 0.04 0.00 0.00 34.50 32.82 2bbu s PRO 114 CO 0.03 -2.50 0.61 0.45 0.04 0.00 0.00 177.00 175.62 2bbu s SER 115 N -3.88 -1.55 -0.56 6.66 0.15 -1.26 -5.11 113.70 108.14 2bbu s SER 115 Ca 0.65 0.32 -0.18 0.00 0.70 0.00 0.00 55.95 57.44 2bbu s SER 115 Cb -0.15 2.04 0.11 0.00 -1.71 0.00 0.00 66.02 66.31 2bbu s SER 115 CO 0.55 -0.29 0.62 -0.94 1.20 0.00 0.00 173.24 174.38 2bbu s SER 116 N 2.84 6.19 0.00 5.45 1.04 -1.26 -4.94 113.70 123.02 2bbu s SER 116 Ca 0.12 -1.53 0.00 0.00 0.48 0.00 0.00 55.95 55.03 2bbu s SER 116 Cb -0.11 -2.26 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2bbu s SER 116 CO -0.25 -1.00 0.00 -0.62 0.98 0.00 0.00 173.24 172.36 2bbu n GLU 117 N 5.90 0.00 -3.42 4.02 1.02 -1.26 -5.11 120.64 121.79 2bbu n GLU 117 Ca -0.11 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.76 2bbu n GLU 117 Cb 0.42 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.73 2bbu n GLU 117 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2bbu s VAL 118 N 0.00 0.43 -0.40 2.62 -7.23 -1.26 -5.09 120.40 109.48 2bbu s VAL 118 Ca 0.00 -2.61 -0.29 0.00 -1.81 0.00 0.00 61.98 57.27 2bbu s VAL 118 Cb 0.00 -1.32 0.00 0.00 0.56 0.00 0.00 36.38 35.63 2bbu s VAL 118 CO 0.00 -1.20 1.51 -2.16 -0.31 0.00 0.00 175.10 172.94 2bbu s PRO 119 N 0.11 3.50 1.00 4.82 0.04 -1.26 -5.00 135.00 138.22 2bbu s PRO 119 Ca 0.31 1.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.23 2bbu s PRO 119 Cb 0.00 -4.07 0.26 0.00 0.04 0.00 0.00 34.50 30.73 2bbu s PRO 119 CO -0.17 -1.65 0.62 -0.85 0.04 0.00 0.00 177.00 174.99 2bbu n GLU 120 N 8.19 -3.83 -3.07 4.56 0.28 -1.26 -4.52 120.64 120.99 2bbu n GLU 120 Ca 0.18 -1.04 -0.00 0.00 -0.16 0.00 0.00 57.16 56.14 2bbu n GLU 120 Cb 0.48 -1.29 -0.00 0.00 1.43 0.00 0.00 31.44 32.05 2bbu n GLU 120 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2bbu n GLN 121 N -4.55 -1.14 -2.04 3.44 6.02 -1.26 -4.89 117.38 112.97 2bbu n GLN 121 Ca 0.10 1.30 -0.33 0.00 -0.01 0.00 0.00 57.00 58.06 2bbu n GLN 121 Cb 0.41 -2.00 0.01 0.00 1.02 0.00 0.00 30.24 29.69 2bbu n GLN 121 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2bbu s PRO 122 N -1.05 3.25 0.13 -1.09 0.04 -1.26 -4.99 135.00 130.03 2bbu s PRO 122 Ca -0.01 1.28 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 2bbu s PRO 122 Cb 0.00 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 2bbu s PRO 122 CO 0.19 -0.87 1.21 -1.25 0.04 0.00 0.00 177.00 176.31 2bbu s PRO 123 N -3.97 4.46 -0.44 0.56 0.04 -1.26 -5.00 135.00 129.39 2bbu s PRO 123 Ca 0.65 1.84 0.03 0.00 0.04 0.00 0.00 61.00 63.56 2bbu s PRO 123 Cb -0.17 -3.28 0.16 0.00 0.04 0.00 0.00 34.50 31.24 2bbu s PRO 123 CO 0.36 -0.17 0.31 0.00 0.04 0.00 0.00 177.00 177.55 2bbu s ALA 124 N 0.43 1.74 -0.17 8.56 0.00 -1.26 -5.01 121.76 126.05 2bbu s ALA 124 Ca 0.56 -2.52 -0.09 0.00 0.00 0.00 0.00 51.96 49.90 2bbu s ALA 124 Cb -0.32 -1.72 0.04 0.00 0.00 0.00 0.00 23.12 21.12 2bbu s ALA 124 CO 0.33 -2.04 0.18 1.04 0.00 0.00 0.00 175.76 175.28 2bbu n GLN 125 N 3.13 -3.93 0.00 0.00 6.02 -1.26 -4.95 117.38 116.39 2bbu n GLN 125 Ca 0.21 3.02 0.00 0.00 -0.01 0.00 0.00 57.00 60.22 2bbu n GLN 125 Cb 0.41 -4.40 0.00 0.00 1.02 0.00 0.00 30.24 27.28 2bbu n GLN 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bbu n ALA 126 N 1.73 0.00 -1.74 -1.58 0.00 -1.26 -5.14 120.51 112.52 2bbu n ALA 126 Ca -0.31 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.80 2bbu n ALA 126 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.93 2bbu n ALA 126 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2bbu s LEU 127 N 0.00 3.64 -0.30 0.00 0.05 -1.26 -4.96 118.68 115.84 2bbu s LEU 127 Ca 0.00 1.81 -0.29 0.00 0.05 0.00 0.00 54.13 55.70 2bbu s LEU 127 Cb 0.00 -4.54 -0.01 0.00 -2.05 0.00 0.00 46.19 39.60 2bbu s LEU 127 CO 0.00 -0.93 1.47 -2.16 -0.55 0.00 0.00 176.35 174.17 2bbu s PRO 128 N -3.79 3.75 0.00 1.48 0.04 -1.26 -4.79 135.00 130.43 2bbu s PRO 128 Ca 0.64 1.32 0.00 0.00 0.04 0.00 0.00 61.00 63.00 2bbu s PRO 128 Cb -0.15 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2bbu s PRO 128 CO 0.30 -1.34 0.00 0.41 0.04 0.00 0.00 177.00 176.41 2bbu n GLY 129 N 4.70 -0.78 2.39 0.56 0.00 -1.26 -5.01 105.19 105.79 2bbu n GLY 129 Ca 0.17 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.13 2bbu n GLY 129 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bbu n SER 130 N 0.00 -4.73 -3.35 1.61 2.88 -1.26 -3.30 113.62 105.48 2bbu n SER 130 Ca 0.00 0.16 -0.30 0.00 -1.33 0.00 0.00 58.87 57.40 2bbu n SER 130 Cb 0.00 -4.02 0.03 0.00 -0.75 0.00 0.00 64.21 59.47 2bbu n SER 130 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2bbu n THR 131 N -3.37 -5.27 -0.76 2.46 -1.04 -1.26 -4.68 114.28 100.36 2bbu n THR 131 Ca -0.19 0.30 -0.14 0.00 -2.04 0.00 0.00 64.05 61.98 2bbu n THR 131 Cb 0.63 -4.27 -0.09 0.00 -1.82 0.00 0.00 70.33 64.78 2bbu n THR 131 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2bbu n PRO 132 N -0.07 1.77 0.00 -2.82 -0.04 -1.21 -4.47 135.00 128.16 2bbu n PRO 132 Ca -0.04 -1.01 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 2bbu n PRO 132 Cb 0.62 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2bbu n PRO 132 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2bbu n LYS 133 N 3.09 0.00 -2.35 0.54 4.01 -1.26 -5.00 118.16 117.19 2bbu n LYS 133 Ca 0.38 0.00 -0.37 0.00 -0.51 0.00 0.00 58.31 57.81 2bbu n LYS 133 Cb 0.48 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.98 2bbu n LYS 133 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2bbu s ARG 134 N 0.00 3.91 -0.20 1.97 1.81 -1.26 -5.03 118.95 120.15 2bbu s ARG 134 Ca 0.00 1.70 -0.31 0.00 -1.72 0.00 0.00 55.73 55.40 2bbu s ARG 134 Cb 0.00 -2.47 0.15 0.00 -0.45 0.00 0.00 34.95 32.18 2bbu s ARG 134 CO 0.00 -0.40 1.15 0.00 -0.68 0.00 0.00 175.30 175.36 2bbu s ALA 135 N -1.57 -2.01 -0.09 2.13 0.00 -1.26 -5.04 121.76 113.91 2bbu s ALA 135 Ca 0.61 1.65 0.00 0.00 0.00 0.00 0.00 51.96 54.22 2bbu s ALA 135 Cb -0.27 -0.77 0.02 0.00 0.00 0.00 0.00 23.12 22.11 2bbu s ALA 135 CO 0.33 -0.37 -0.07 -0.47 0.00 0.00 0.00 175.76 175.18 2bbu s TYR 136 N -1.50 1.24 0.24 0.00 5.04 -1.13 -5.02 117.35 116.21 2bbu s TYR 136 Ca 0.04 -0.53 -0.16 0.00 -2.44 0.00 0.00 57.07 53.98 2bbu s TYR 136 Cb -0.01 -1.05 0.01 0.00 0.35 0.00 0.00 41.96 41.26 2bbu s TYR 136 CO -0.03 -0.40 0.55 1.52 -1.34 0.00 0.00 175.55 175.85 2bbu s TYR 137 N 1.48 0.05 -0.05 4.97 -0.85 -1.25 -2.54 117.35 119.16 2bbu s TYR 137 Ca -0.00 -0.43 -0.03 0.00 -0.52 0.00 0.00 57.07 56.08 2bbu s TYR 137 Cb -0.13 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.56 2bbu s TYR 137 CO -0.05 -1.02 0.12 0.42 -1.52 0.00 0.00 175.55 173.50 2bbu s ILE 138 N -3.94 5.11 -0.10 -3.49 1.09 -0.92 -4.88 121.20 114.07 2bbu s ILE 138 Ca 0.15 -0.13 -0.16 0.00 -1.10 0.00 0.00 60.65 59.41 2bbu s ILE 138 Cb -0.02 -3.29 -0.05 0.00 -1.06 0.00 0.00 42.46 38.04 2bbu s ILE 138 CO 0.04 0.46 0.41 -0.31 -0.10 0.00 0.00 174.94 175.44 2bbu s TYR 139 N -1.14 3.56 0.00 3.97 1.51 -1.26 -1.49 117.35 122.50 2bbu s TYR 139 Ca 0.20 0.85 0.00 0.00 -1.01 0.00 0.00 57.07 57.11 2bbu s TYR 139 Cb -0.12 -2.43 0.00 0.00 -0.11 0.00 0.00 41.96 39.30 2bbu s TYR 139 CO 0.11 0.32 0.00 0.45 -1.11 0.00 0.00 175.55 175.31 2bbu n SER 140 N 3.14 0.18 -4.51 2.29 2.88 0.78 -4.90 113.62 113.48 2bbu n SER 140 Ca -0.10 -0.35 -0.13 0.00 -1.33 0.00 0.00 58.87 56.95 2bbu n SER 140 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 2bbu n SER 140 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bbu n GLY 141 N 5.00 -0.29 2.73 0.46 0.00 -1.26 -1.98 105.19 109.86 2bbu n GLY 141 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 6.20 0.48 3.13 -0.02 0.00 -1.26 -4.94 105.19 108.79 2bbu n GLY 142 Ca 0.43 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.06 2.97 -0.56 1.61 0.41 -0.83 -5.08 118.70 115.16 2bbu s GLU 143 Ca 0.00 -0.83 -0.24 0.00 -0.41 0.00 0.00 54.97 53.50 2bbu s GLU 143 Cb 0.00 -2.50 0.05 0.00 -1.78 0.00 0.00 34.13 29.90 2bbu s GLU 143 CO 0.00 -0.14 0.91 -1.59 -0.49 0.00 0.00 175.26 173.96 2bbu s LYS 144 N 1.12 3.29 -0.47 1.61 -2.85 -1.26 0.27 119.74 121.44 2bbu s LYS 144 Ca 0.00 -0.37 -0.22 0.00 -1.00 0.00 0.00 55.97 54.38 2bbu s LYS 144 Cb -0.14 -4.07 0.03 0.00 -2.06 0.00 0.00 37.83 31.59 2bbu s LYS 144 CO -0.09 -1.49 0.76 0.42 0.10 0.00 0.00 175.35 175.06 2bbu s ILE 145 N 3.83 4.67 0.03 3.79 1.09 -0.55 -4.94 121.20 129.11 2bbu s ILE 145 Ca 0.28 0.21 -0.30 0.00 -1.10 0.00 0.00 60.65 59.74 2bbu s ILE 145 Cb -0.14 -4.34 -0.04 0.00 -1.06 0.00 0.00 42.46 36.88 2bbu s ILE 145 CO 0.18 -0.78 1.12 -2.16 -0.10 0.00 0.00 174.94 173.20 2bbu s PRO 146 N 3.23 4.47 -0.05 2.79 0.04 -1.26 -2.18 135.00 142.04 2bbu s PRO 146 Ca 0.26 1.64 0.04 0.00 0.04 0.00 0.00 61.00 62.99 2bbu s PRO 146 Cb -0.14 -3.41 -0.00 0.00 0.04 0.00 0.00 34.50 30.99 2bbu s PRO 146 CO 0.20 -0.21 -0.18 -0.51 0.04 0.00 0.00 177.00 176.34 2bbu s LEU 147 N 1.17 1.93 -0.32 -3.56 2.01 -1.05 -4.96 118.68 113.91 2bbu s LEU 147 Ca 0.56 -0.38 -0.12 0.00 0.01 0.00 0.00 54.13 54.21 2bbu s LEU 147 Cb -0.26 -1.03 -0.02 0.00 0.01 0.00 0.00 46.19 44.89 2bbu s LEU 147 CO 0.28 0.16 0.21 0.68 1.01 0.00 0.00 176.35 178.69 2bbu s VAL 148 N 0.04 5.11 -0.35 -1.59 -7.23 -1.25 -2.85 120.40 112.27 2bbu s VAL 148 Ca -0.05 -0.19 -0.25 0.00 -1.81 0.00 0.00 61.98 59.69 2bbu s VAL 148 Cb -0.12 -3.58 0.01 0.00 0.56 0.00 0.00 36.38 33.26 2bbu s VAL 148 CO 0.03 0.07 0.89 -0.76 -0.31 0.00 0.00 175.10 175.01 2bbu s LEU 149 N 1.70 4.03 0.00 1.32 1.43 -1.26 -4.85 118.68 121.06 2bbu s LEU 149 Ca 0.06 0.59 0.14 0.00 -1.03 0.00 0.00 54.13 53.88 2bbu s LEU 149 Cb -0.17 -3.21 0.23 0.00 0.03 0.00 0.00 46.19 43.07 2bbu s LEU 149 CO 0.09 -0.80 1.06 -1.54 0.23 0.00 0.00 176.35 175.40 2bbu n SER 150 N 6.62 0.20 -3.83 2.29 3.41 -1.26 -1.80 113.62 119.24 2bbu n SER 150 Ca 0.06 -1.94 -0.23 0.00 -0.26 0.00 0.00 58.87 56.50 2bbu n SER 150 Cb 0.48 -0.08 -0.17 0.00 -0.26 0.00 0.00 64.21 64.18 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 0.84 0.14 4.33 0.52 -1.26 -4.77 118.95 118.74 2bbu s ARG 151 Ca 0.18 -0.02 -0.30 0.00 -0.52 0.00 0.00 55.73 55.06 2bbu s ARG 151 Cb 0.21 -1.03 -0.06 0.00 0.52 0.00 0.00 34.95 34.58 2bbu s ARG 151 CO -0.09 -0.22 0.98 -1.25 0.02 0.00 0.00 175.30 174.74 2bbu s PRO 152 N 1.57 4.70 0.14 3.54 0.04 -1.26 -3.49 135.00 140.24 2bbu s PRO 152 Ca -0.00 1.50 -0.11 0.00 0.04 0.00 0.00 61.00 62.43 2bbu s PRO 152 Cb -0.13 -3.35 -0.06 0.00 0.04 0.00 0.00 34.50 31.00 2bbu s PRO 152 CO -0.04 0.23 0.48 -1.17 0.04 0.00 0.00 177.00 176.54 2bbu s LEU 153 N -0.20 4.30 -0.14 -3.56 2.96 -1.25 -4.88 118.68 115.92 2bbu s LEU 153 Ca 0.47 0.89 -0.29 0.00 -0.22 0.00 0.00 54.13 54.98 2bbu s LEU 153 Cb -0.25 -3.24 -0.06 0.00 0.50 0.00 0.00 46.19 43.14 2bbu s LEU 153 CO 0.31 0.09 2.03 -0.44 -1.32 0.00 0.00 176.35 177.02 2bbu s SER 154 N -1.93 5.93 0.61 3.68 0.01 -1.26 -4.75 113.70 115.99 2bbu s SER 154 Ca 0.38 2.08 0.25 0.00 1.31 0.00 0.00 55.95 59.97 2bbu s SER 154 Cb -0.14 -2.52 1.08 0.00 0.21 0.00 0.00 66.02 64.65 2bbu s SER 154 CO 0.20 -1.55 1.53 -1.28 0.41 0.00 0.00 173.24 172.54 2bbu h SER 155 N 12.88 0.00 0.00 2.44 0.87 -1.93 -3.49 113.55 124.33 2bbu h SER 155 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 2bbu h SER 155 Cb 1.22 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2bbu h SER 155 CO 0.96 0.00 0.00 0.59 -0.53 0.00 0.00 176.83 177.85