#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 0.70 -0.40 -1.84 -0.00 -1.86 -1.92 116.97 111.64 2bbu h TYR 2 Ca 0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 58.73 58.55 2bbu h TYR 2 Cb 0.00 -0.18 -0.02 0.00 0.00 0.00 0.00 36.73 36.54 2bbu h TYR 2 CO 0.00 0.76 0.06 0.37 -0.00 0.00 0.00 178.16 179.36 2bbu h GLN 3 N 0.57 0.66 -0.14 0.10 4.15 -1.98 0.17 115.11 118.64 2bbu h GLN 3 Ca 0.09 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.31 2bbu h GLN 3 Cb 0.61 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.22 2bbu h GLN 3 CO 0.04 0.71 -0.02 -0.07 -1.93 0.00 0.00 178.83 177.56 2bbu h LEU 4 N 0.51 0.26 -0.14 -2.39 3.38 -1.96 -1.55 115.31 113.42 2bbu h LEU 4 Ca 0.12 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 2bbu h LEU 4 Cb 0.37 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2bbu h LEU 4 CO 0.01 0.56 0.02 1.62 0.09 0.00 0.00 178.44 180.73 2bbu h VAL 5 N -0.03 1.22 -0.67 1.22 3.04 -1.31 -2.85 116.25 116.86 2bbu h VAL 5 Ca 0.04 -0.72 0.04 0.00 -1.01 0.00 0.00 66.70 65.04 2bbu h VAL 5 Cb 0.44 1.42 -0.04 0.00 -2.01 0.00 0.00 31.29 31.10 2bbu h VAL 5 CO 0.01 0.21 0.45 0.58 -1.01 0.00 0.00 177.57 177.81 2bbu h VAL 6 N 0.02 1.08 -0.39 1.51 2.07 -0.69 -0.51 116.25 119.34 2bbu h VAL 6 Ca 0.04 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.32 2bbu h VAL 6 Cb 0.31 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2bbu h VAL 6 CO 0.00 0.14 0.26 0.78 0.02 0.00 0.00 177.57 178.78 2bbu h ASN 7 N 0.79 0.36 0.01 0.57 -0.26 -1.04 -1.28 115.58 114.72 2bbu h ASN 7 Ca 0.27 -0.01 -0.15 0.00 -0.56 0.00 0.00 56.30 55.85 2bbu h ASN 7 Cb 0.10 -0.08 0.01 0.00 -1.06 0.00 0.00 38.32 37.29 2bbu h ASN 7 CO -0.08 0.25 -0.60 0.00 -1.06 0.00 0.00 177.43 175.94 2bbu h ALA 8 N 1.78 0.07 -0.99 -0.83 0.00 -1.01 -3.19 119.26 115.08 2bbu h ALA 8 Ca 0.16 -0.57 0.06 0.00 0.00 0.00 0.00 54.91 54.56 2bbu h ALA 8 Cb 0.11 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 2bbu h ALA 8 CO -0.04 0.34 0.64 0.28 0.00 0.00 0.00 179.25 180.48 2bbu h VAL 9 N -0.13 1.09 -0.34 0.00 2.07 -0.88 0.72 116.25 118.78 2bbu h VAL 9 Ca -0.08 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.09 2bbu h VAL 9 Cb 1.32 -0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 2bbu h VAL 9 CO 0.12 0.21 0.06 0.03 0.02 0.00 0.00 177.57 178.02 2bbu h ARG 10 N 1.17 0.18 0.07 1.57 3.08 -1.27 1.67 114.38 120.84 2bbu h ARG 10 Ca 0.42 -0.01 -0.24 0.00 0.07 0.00 0.00 59.98 60.22 2bbu h ARG 10 Cb 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.17 2bbu h ARG 10 CO -0.16 0.12 -1.08 0.87 -1.07 0.00 0.00 179.97 178.64 2bbu h LYS 11 N 0.18 0.30 -0.16 0.04 1.79 -1.34 -2.73 116.57 114.64 2bbu h LYS 11 Ca 0.16 -0.41 -0.13 0.00 -2.18 0.00 0.00 60.65 58.09 2bbu h LYS 11 Cb 0.18 0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 2bbu h LYS 11 CO -0.21 1.14 -0.42 1.25 -1.08 0.00 0.00 179.45 180.12 2bbu h LEU 12 N 0.13 0.66 -1.13 2.94 5.85 0.89 -3.16 115.31 121.49 2bbu h LEU 12 Ca -0.10 -0.58 -0.07 0.00 0.84 0.00 0.00 57.88 57.97 2bbu h LEU 12 Cb 1.77 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 2bbu h LEU 12 CO 0.18 1.12 -0.16 0.06 -0.34 0.00 0.00 178.44 179.29 2bbu h GLN 13 N 0.23 0.41 -0.52 1.25 3.07 0.24 -2.57 115.11 117.22 2bbu h GLN 13 Ca -0.01 -0.12 0.07 0.00 0.09 0.00 0.00 58.65 58.68 2bbu h GLN 13 Cb 1.04 -0.04 -0.03 0.00 0.08 0.00 0.00 27.48 28.52 2bbu h GLN 13 CO 0.09 0.57 0.35 0.93 0.09 0.00 0.00 178.83 180.86 2bbu h GLU 14 N 0.38 0.43 -0.30 0.06 5.08 -1.44 -0.01 114.58 118.78 2bbu h GLU 14 Ca 0.07 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2bbu h GLU 14 Cb 0.51 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2bbu h GLU 14 CO 0.03 0.29 0.26 0.77 -1.00 0.00 0.00 179.01 179.36 2bbu h SER 15 N 0.45 0.00 -0.78 1.42 0.02 -1.49 -3.45 113.55 109.72 2bbu h SER 15 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2bbu h SER 15 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2bbu h SER 15 CO -0.06 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.24 2bbu n GLY 16 N -1.50 0.84 0.22 -3.77 0.00 -0.02 -4.98 105.19 95.98 2bbu n GLY 16 Ca 0.04 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.28 0.00 -3.43 1.61 -1.74 -1.25 -3.60 117.46 107.78 2bbu n PHE 17 Ca 0.00 0.00 -0.38 0.00 -0.56 0.00 0.00 57.45 56.51 2bbu n PHE 17 Cb 0.30 0.11 -0.07 0.00 1.52 0.00 0.00 39.48 41.34 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 0.00 3.39 0.05 2.97 6.14 -1.26 -4.56 117.35 124.08 2bbu s TYR 18 Ca 0.00 0.60 0.02 0.00 0.64 0.00 0.00 57.07 58.33 2bbu s TYR 18 Cb 0.00 -2.48 -0.04 0.00 0.42 0.00 0.00 41.96 39.86 2bbu s TYR 18 CO 0.00 0.04 0.06 -1.58 0.64 0.00 0.00 175.55 174.71 2bbu s TRP 19 N 1.12 3.17 0.00 4.97 0.52 -1.22 -5.01 118.94 122.49 2bbu s TRP 19 Ca 0.18 0.09 0.00 0.00 0.02 0.00 0.00 56.10 56.39 2bbu s TRP 19 Cb -0.14 -1.64 0.00 0.00 -1.15 0.00 0.00 33.47 30.53 2bbu s TRP 19 CO 0.07 0.51 0.11 0.43 0.02 0.00 0.00 176.95 178.09 2bbu n SER 20 N 0.79 0.00 0.00 2.95 7.64 -1.26 -3.72 113.62 120.02 2bbu n SER 20 Ca -0.11 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2bbu n SER 20 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2bbu n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bbu n ALA 21 N -2.44 0.00 -1.00 -0.43 0.00 -1.26 0.20 120.51 115.58 2bbu n ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bbu n ALA 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bbu n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2bbu n VAL 22 N 0.00 0.00 -3.70 0.00 0.31 -1.26 -4.84 118.33 108.84 2bbu n VAL 22 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.10 2bbu n VAL 22 Cb 0.00 -0.67 -0.02 0.00 -0.91 0.00 0.00 33.84 32.23 2bbu n VAL 22 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2bbu s THR 23 N 0.00 2.28 0.00 2.52 2.01 -1.26 -4.80 115.64 116.39 2bbu s THR 23 Ca 0.00 -1.41 0.00 0.00 0.31 0.00 0.00 61.69 60.59 2bbu s THR 23 Cb 0.00 -2.69 0.00 0.00 0.01 0.00 0.00 72.50 69.82 2bbu s THR 23 CO 0.00 0.00 0.05 0.61 -0.69 0.00 0.00 174.62 174.59 2bbu n GLY 24 N -1.62 -0.55 0.07 4.40 0.00 -1.26 -1.10 105.19 105.14 2bbu n GLY 24 Ca 0.02 0.07 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 0.02 1.18 -0.02 0.00 -2.00 -3.28 103.07 98.97 2bbu h GLY 25 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.34 2bbu h GLY 25 CO 0.00 0.04 0.40 -2.09 0.00 0.00 0.00 176.54 174.90 2bbu h GLU 26 N 0.01 0.58 -0.06 4.80 4.81 -1.96 0.94 114.58 123.70 2bbu h GLU 26 Ca -0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2bbu h GLU 26 Cb 1.73 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.98 2bbu h GLU 26 CO 0.13 0.39 -0.00 0.00 -0.73 0.00 0.00 179.01 178.79 2bbu h ALA 27 N 1.67 0.08 -0.41 2.92 0.00 -1.17 0.12 119.26 122.46 2bbu h ALA 27 Ca 0.26 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2bbu h ALA 27 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2bbu h ALA 27 CO -0.08 -0.24 -0.33 -0.91 0.00 0.00 0.00 179.25 177.69 2bbu h ASN 28 N -0.20 1.01 0.40 0.00 2.35 -1.47 -3.15 115.58 114.52 2bbu h ASN 28 Ca 0.02 -0.44 -0.12 0.00 -0.55 0.00 0.00 56.30 55.21 2bbu h ASN 28 Cb 0.35 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2bbu h ASN 28 CO 0.00 1.24 -0.51 -0.07 -1.65 0.00 0.00 177.43 176.44 2bbu h LEU 29 N 0.79 0.14 -2.12 1.61 4.07 0.93 -3.08 115.31 117.65 2bbu h LEU 29 Ca 0.08 -0.07 0.06 0.00 0.08 0.00 0.00 57.88 58.03 2bbu h LEU 29 Cb 0.93 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 2bbu h LEU 29 CO 0.09 0.63 0.31 0.17 -1.08 0.00 0.00 178.44 178.56 2bbu h LEU 30 N 0.10 0.00 -0.20 1.67 8.10 -0.70 0.15 115.31 124.43 2bbu h LEU 30 Ca 0.00 0.00 -0.22 0.00 0.11 0.00 0.00 57.88 57.77 2bbu h LEU 30 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.16 2bbu h LEU 30 CO 0.07 0.00 -0.91 0.17 -4.11 0.00 0.00 178.44 173.67 2bbu h LEU 31 N 0.00 0.57 -0.85 0.17 8.10 -1.68 -2.29 115.31 119.33 2bbu h LEU 31 Ca 0.10 -0.44 -0.12 0.00 0.11 0.00 0.00 57.88 57.53 2bbu h LEU 31 Cb 0.73 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.76 2bbu h LEU 31 CO -0.00 1.23 -0.45 0.28 -4.11 0.00 0.00 178.44 175.38 2bbu h SER 32 N 0.26 0.29 1.85 0.17 0.02 -0.87 0.15 113.55 115.43 2bbu h SER 32 Ca -0.07 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 2bbu h SER 32 Cb 1.53 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.99 2bbu h SER 32 CO 0.16 0.71 -0.15 0.00 -1.14 0.00 0.00 176.83 176.41 2bbu h ALA 33 N 1.30 0.92 -1.87 3.77 0.00 -1.37 -3.39 119.26 118.62 2bbu h ALA 33 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bbu h ALA 33 Cb 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2bbu h ALA 33 CO 0.07 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.79 2bbu n GLU 34 N -3.08 0.00 -1.37 0.00 1.02 -0.87 -4.82 120.64 111.53 2bbu n GLU 34 Ca 0.03 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.76 2bbu n GLU 34 Cb 0.56 -0.05 -0.05 0.00 -0.02 0.00 0.00 31.44 31.88 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 -1.65 1.76 -1.65 3.49 -0.04 0.02 -4.93 135.00 132.00 2bbu n PRO 35 Ca 0.00 -2.06 -0.43 0.00 -0.04 0.00 0.00 63.50 60.97 2bbu n PRO 35 Cb 0.00 -3.07 -0.00 0.00 -0.04 0.00 0.00 33.50 30.39 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 8.00 0.61 -1.29 0.55 0.00 -1.23 -1.28 120.51 125.87 2bbu n ALA 36 Ca 0.49 0.32 -0.07 0.00 0.00 0.00 0.00 53.44 54.18 2bbu n ALA 36 Cb 0.41 -2.15 -0.03 0.00 0.00 0.00 0.00 19.45 17.68 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 1.00 0.89 3.07 0.00 0.00 -1.26 -5.01 105.19 103.88 2bbu n GLY 37 Ca 0.07 -0.70 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.29 0.69 0.21 2.61 2.01 -0.40 -4.66 115.64 113.81 2bbu s THR 38 Ca 0.00 -0.90 0.10 0.00 0.31 0.00 0.00 61.69 61.20 2bbu s THR 38 Cb 0.00 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.78 2bbu s THR 38 CO 0.00 -0.18 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.21 2bbu s PHE 39 N -0.99 1.98 0.11 4.92 0.08 -1.20 -4.42 117.98 118.46 2bbu s PHE 39 Ca -0.04 -0.44 -0.15 0.00 0.12 0.00 0.00 56.93 56.42 2bbu s PHE 39 Cb -0.08 -0.93 0.03 0.00 -0.57 0.00 0.00 43.02 41.47 2bbu s PHE 39 CO 0.01 0.46 0.36 -1.17 -0.10 0.00 0.00 175.22 174.77 2bbu s LEU 40 N -3.03 0.61 0.04 -0.37 0.20 -1.22 -3.85 118.68 111.05 2bbu s LEU 40 Ca 0.22 -0.34 0.07 0.00 0.69 0.00 0.00 54.13 54.77 2bbu s LEU 40 Cb -0.05 1.66 -0.03 0.00 -0.43 0.00 0.00 46.19 47.34 2bbu s LEU 40 CO 0.09 -0.80 -0.18 -0.51 -0.29 0.00 0.00 176.35 174.66 2bbu s ILE 41 N -3.61 2.76 -0.09 6.68 2.07 -1.26 -2.71 121.20 125.04 2bbu s ILE 41 Ca 0.02 -1.17 0.01 0.00 -1.41 0.00 0.00 60.65 58.10 2bbu s ILE 41 Cb 0.02 -2.15 -0.02 0.00 0.13 0.00 0.00 42.46 40.44 2bbu s ILE 41 CO -0.10 0.35 -0.11 0.00 -1.91 0.00 0.00 174.94 173.17 2bbu s ARG 42 N -1.38 2.93 -0.23 3.50 1.04 0.15 -3.43 118.95 121.53 2bbu s ARG 42 Ca 0.14 -0.64 -0.20 0.00 -1.04 0.00 0.00 55.73 53.99 2bbu s ARG 42 Cb -0.10 -2.55 -0.02 0.00 -2.04 0.00 0.00 34.95 30.23 2bbu s ARG 42 CO 0.05 0.48 0.62 0.16 -0.04 0.00 0.00 175.30 176.57 2bbu s ASP 43 N -0.33 6.62 -0.11 -2.89 1.47 0.55 -0.47 116.67 121.51 2bbu s ASP 43 Ca 0.03 0.76 -0.39 0.00 1.18 0.00 0.00 52.55 54.14 2bbu s ASP 43 Cb -0.13 -2.34 -0.16 0.00 -0.34 0.00 0.00 42.92 39.95 2bbu s ASP 43 CO 0.02 -0.32 1.56 -0.24 0.68 0.00 0.00 175.17 176.88 2bbu n SER 44 N 5.37 2.04 -0.08 2.11 2.88 0.58 -4.39 113.62 122.13 2bbu n SER 44 Ca -0.01 1.09 0.03 0.00 -1.33 0.00 0.00 58.87 58.65 2bbu n SER 44 Cb 0.49 -1.16 0.15 0.00 -0.75 0.00 0.00 64.21 62.94 2bbu n SER 44 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2bbu n SER 45 N 4.08 0.25 -1.23 -3.46 3.41 -1.26 -4.71 113.62 110.70 2bbu n SER 45 Ca 0.23 -1.86 0.00 0.00 -0.26 0.00 0.00 58.87 56.98 2bbu n SER 45 Cb 0.16 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 -0.43 0.00 -0.01 4.04 8.00 -1.26 -4.94 116.55 121.94 2bbu n ASP 46 Ca 0.05 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.37 2bbu n ASP 46 Cb 0.06 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.02 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 0.72 -1.53 -1.24 10.64 -1.26 -4.82 117.38 119.89 2bbu n GLN 47 Ca 0.00 0.26 -0.01 0.00 -1.83 0.00 0.00 57.00 55.42 2bbu n GLN 47 Cb 0.00 -1.71 0.02 0.00 -0.86 0.00 0.00 30.24 27.69 2bbu n GLN 47 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2bbu n ARG 48 N -3.36 0.32 0.00 2.61 1.74 -1.26 -5.09 116.66 111.62 2bbu n ARG 48 Ca -0.29 -0.37 0.00 0.00 -0.77 0.00 0.00 57.85 56.42 2bbu n ARG 48 Cb 1.05 0.24 0.00 0.00 -1.02 0.00 0.00 32.46 32.73 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 -0.36 0.00 -2.82 -1.55 8.25 -1.26 -4.46 115.22 113.02 2bbu n HIS 49 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2bbu n HIS 49 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -4.30 4.41 -1.74 -1.26 -4.77 117.46 109.80 2bbu n PHE 50 Ca 0.00 0.00 -0.20 0.00 -0.56 0.00 0.00 57.45 56.69 2bbu n PHE 50 Cb 0.00 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 40.89 2bbu n PHE 50 CO 0.00 0.00 0.00 -0.59 -0.56 0.00 0.00 176.76 175.61 2bbu s PHE 51 N -2.07 1.64 -0.02 2.97 -0.12 -1.26 0.21 117.98 119.33 2bbu s PHE 51 Ca 0.00 -0.52 0.05 0.00 -0.05 0.00 0.00 56.93 56.41 2bbu s PHE 51 Cb 0.00 -0.82 -0.01 0.00 -0.63 0.00 0.00 43.02 41.56 2bbu s PHE 51 CO 0.00 0.26 -0.18 0.99 -0.05 0.00 0.00 175.22 176.25 2bbu s THR 52 N -2.24 1.41 -0.14 -4.49 2.01 0.38 -4.23 115.64 108.34 2bbu s THR 52 Ca 0.14 -0.74 0.02 0.00 0.31 0.00 0.00 61.69 61.42 2bbu s THR 52 Cb -0.04 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.29 2bbu s THR 52 CO 0.05 0.40 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.96 2bbu s LEU 53 N -0.26 2.04 0.14 4.42 2.96 -1.18 0.30 118.68 127.11 2bbu s LEU 53 Ca 0.03 -0.57 0.08 0.00 -0.22 0.00 0.00 54.13 53.45 2bbu s LEU 53 Cb -0.08 -1.38 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 2bbu s LEU 53 CO 0.00 0.07 -0.18 -0.94 -1.32 0.00 0.00 176.35 173.98 2bbu s SER 54 N 0.86 2.50 0.44 3.68 1.04 -1.10 -3.15 113.70 117.97 2bbu s SER 54 Ca -0.07 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.59 2bbu s SER 54 Cb -0.15 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 2bbu s SER 54 CO -0.02 -0.04 0.03 0.68 0.98 0.00 0.00 173.24 174.86 2bbu s VAL 55 N -1.91 1.38 -0.21 5.02 -7.23 -1.14 -3.40 120.40 112.92 2bbu s VAL 55 Ca 0.12 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.23 2bbu s VAL 55 Cb -0.06 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 2bbu s VAL 55 CO 0.05 0.00 0.03 -0.75 -0.31 0.00 0.00 175.10 174.12 2bbu s LYS 56 N -3.80 3.68 0.16 4.82 2.20 -1.26 -3.70 119.74 121.85 2bbu s LYS 56 Ca 0.22 -0.48 0.07 0.00 -0.36 0.00 0.00 55.97 55.42 2bbu s LYS 56 Cb 0.06 -3.17 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 2bbu s LYS 56 CO 0.11 -0.00 -0.15 0.95 -0.36 0.00 0.00 175.35 175.90 2bbu s THR 57 N 1.07 1.59 0.25 3.43 -4.23 -1.25 -4.84 115.64 111.67 2bbu s THR 57 Ca 0.03 -1.97 0.26 0.00 -1.18 0.00 0.00 61.69 58.82 2bbu s THR 57 Cb -0.14 -1.82 0.26 0.00 1.34 0.00 0.00 72.50 72.13 2bbu s THR 57 CO 0.02 -0.48 1.93 1.56 -0.54 0.00 0.00 174.62 177.11 2bbu h GLN 58 N 3.05 0.00 0.00 3.99 4.20 -2.00 -2.53 115.11 121.82 2bbu h GLN 58 Ca -0.40 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.25 2bbu h GLN 58 Cb 1.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 2bbu h GLN 58 CO 0.56 0.19 -0.31 0.77 -0.67 0.00 0.00 178.83 179.36 2bbu h SER 59 N 0.00 0.00 -0.50 1.46 0.02 -1.97 -3.48 113.55 109.08 2bbu h SER 59 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2bbu h SER 59 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2bbu h SER 59 CO 0.02 0.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 2bbu n GLY 60 N 1.15 4.21 3.60 -3.77 0.00 -0.95 -5.06 105.19 104.37 2bbu n GLY 60 Ca 0.03 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 2bbu n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbu s THR 61 N -1.35 4.16 0.29 2.61 -4.23 -1.26 -3.87 115.64 111.99 2bbu s THR 61 Ca 0.00 1.19 0.09 0.00 -1.18 0.00 0.00 61.69 61.79 2bbu s THR 61 Cb 0.00 -4.51 -0.04 0.00 1.34 0.00 0.00 72.50 69.29 2bbu s THR 61 CO 0.00 -0.92 0.06 -0.54 -0.54 0.00 0.00 174.62 172.68 2bbu s LYS 62 N 4.51 2.37 -0.03 3.99 -0.14 -1.24 -5.00 119.74 124.19 2bbu s LYS 62 Ca 0.51 -1.43 -0.01 0.00 -1.36 0.00 0.00 55.97 53.67 2bbu s LYS 62 Cb -0.09 -2.20 0.03 0.00 -1.68 0.00 0.00 37.83 33.90 2bbu s LYS 62 CO 0.31 0.28 0.05 0.54 -0.76 0.00 0.00 175.35 175.77 2bbu s ASN 63 N -3.74 0.49 0.11 2.83 2.20 -1.26 -2.88 114.94 112.69 2bbu s ASN 63 Ca 0.34 0.06 0.03 0.00 -0.94 0.00 0.00 52.86 52.35 2bbu s ASN 63 Cb -0.05 -0.09 -0.04 0.00 -2.00 0.00 0.00 41.25 39.07 2bbu s ASN 63 CO 0.21 -0.18 0.12 -0.76 -2.94 0.00 0.00 177.10 173.56 2bbu s LEU 64 N 1.52 3.88 0.02 3.54 1.43 -1.19 -4.97 118.68 122.92 2bbu s LEU 64 Ca -0.03 -0.02 0.07 0.00 -1.03 0.00 0.00 54.13 53.12 2bbu s LEU 64 Cb -0.13 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 2bbu s LEU 64 CO -0.03 0.13 -0.20 0.00 0.23 0.00 0.00 176.35 176.48 2bbu s ARG 65 N -2.71 1.43 0.17 1.70 1.70 -1.26 -3.10 118.95 116.88 2bbu s ARG 65 Ca 0.31 -0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 54.43 2bbu s ARG 65 Cb -0.11 -1.48 -0.07 0.00 -0.57 0.00 0.00 34.95 32.72 2bbu s ARG 65 CO 0.23 0.39 1.00 -1.50 -1.08 0.00 0.00 175.30 174.34 2bbu s ILE 66 N -0.68 4.17 -0.01 4.99 1.10 -1.26 -4.55 121.20 124.96 2bbu s ILE 66 Ca 0.07 1.93 -0.01 0.00 -0.51 0.00 0.00 60.65 62.13 2bbu s ILE 66 Cb -0.08 -4.23 -0.04 0.00 0.15 0.00 0.00 42.46 38.26 2bbu s ILE 66 CO 0.01 0.36 0.12 -1.58 -2.11 0.00 0.00 174.94 171.73 2bbu s GLN 67 N -0.49 3.20 -0.18 3.50 0.74 0.82 -4.81 119.66 122.45 2bbu s GLN 67 Ca 0.46 -0.41 -0.04 0.00 0.05 0.00 0.00 55.36 55.41 2bbu s GLN 67 Cb -0.26 -2.95 -0.03 0.00 1.10 0.00 0.00 33.01 30.87 2bbu s GLN 67 CO 0.32 0.66 -0.02 0.00 -0.55 0.00 0.00 175.29 175.71 2bbu s GLU 69 N 0.65 1.46 0.00 0.00 2.12 0.09 -4.92 118.70 118.09 2bbu s GLU 69 Ca -0.01 -1.38 0.00 0.00 0.36 0.00 0.00 54.97 53.94 2bbu s GLU 69 Cb -0.14 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.51 2bbu s GLU 69 CO 0.02 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.35 2bbu n GLY 70 N 4.52 0.31 0.73 -1.50 0.00 -1.26 -1.47 105.19 106.53 2bbu n GLY 70 Ca -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 0.78 3.38 -0.02 0.00 -1.26 -4.80 105.19 103.27 2bbu n GLY 71 Ca 0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.65 2.55 0.25 1.61 0.01 -0.54 -3.92 113.70 113.01 2bbu s SER 72 Ca 0.04 -1.14 0.12 0.00 1.31 0.00 0.00 55.95 56.27 2bbu s SER 72 Cb 0.04 -0.13 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 2bbu s SER 72 CO -0.02 -0.31 -0.20 -0.36 0.41 0.00 0.00 173.24 172.76 2bbu s PHE 73 N -3.07 2.33 -0.21 2.43 0.40 -1.26 -0.73 117.98 117.88 2bbu s PHE 73 Ca 0.27 -0.33 -0.18 0.00 -0.60 0.00 0.00 56.93 56.09 2bbu s PHE 73 Cb 0.03 -1.06 0.05 0.00 0.51 0.00 0.00 43.02 42.55 2bbu s PHE 73 CO 0.10 0.63 0.54 0.45 0.70 0.00 0.00 175.22 177.64 2bbu s SER 74 N -3.21 -0.58 0.00 1.36 0.15 0.37 -4.32 113.70 107.46 2bbu s SER 74 Ca 0.27 1.10 0.00 0.00 0.70 0.00 0.00 55.95 58.02 2bbu s SER 74 Cb -0.06 1.10 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 2bbu s SER 74 CO 0.14 -0.19 0.00 -0.11 1.20 0.00 0.00 173.24 174.27 2bbu n LEU 75 N 2.98 0.00 0.00 3.45 0.00 -1.26 0.28 117.00 122.46 2bbu n LEU 75 Ca -0.15 -0.08 0.00 0.00 0.00 0.00 0.00 56.01 55.78 2bbu n LEU 75 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.98 2bbu n LEU 75 CO 0.08 0.00 0.00 1.67 0.00 0.00 0.00 177.39 179.14 2bbu n GLN 76 N -0.89 3.40 -3.67 1.96 -0.06 -1.26 -4.71 117.38 112.14 2bbu n GLN 76 Ca 0.00 0.00 -0.16 0.00 -2.00 0.00 0.00 57.00 54.84 2bbu n GLN 76 Cb 0.00 0.00 -0.15 0.00 -4.06 0.00 0.00 30.24 26.03 2bbu n GLN 76 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2bbu s SER 77 N -1.00 0.56 -0.25 1.69 0.15 -1.26 -5.05 113.70 108.54 2bbu s SER 77 Ca 0.00 0.41 -0.03 0.00 0.70 0.00 0.00 55.95 57.02 2bbu s SER 77 Cb 0.00 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.70 2bbu s SER 77 CO 0.00 -0.23 -0.03 -1.81 1.20 0.00 0.00 173.24 172.37 2bbu s ASP 78 N 2.22 4.44 0.02 5.45 1.01 -1.26 -4.98 116.67 123.57 2bbu s ASP 78 Ca 0.01 -0.64 -0.20 0.00 0.71 0.00 0.00 52.55 52.43 2bbu s ASP 78 Cb -0.12 -1.73 -0.18 0.00 1.01 0.00 0.00 42.92 41.90 2bbu s ASP 78 CO -0.07 -0.09 1.22 1.55 0.21 0.00 0.00 175.17 177.99 2bbu h PRO 79 N 8.10 0.41 -0.50 8.23 0.13 -2.00 -3.27 132.00 143.10 2bbu h PRO 79 Ca -0.36 -0.32 0.06 0.00 -0.87 0.00 0.00 66.00 64.51 2bbu h PRO 79 Cb 1.13 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.27 2bbu h PRO 79 CO 0.59 0.95 0.20 -0.09 -0.23 0.00 0.00 178.00 179.43 2bbu h ARG 80 N -0.04 0.39 -1.33 0.86 2.43 -2.05 -3.46 114.38 111.18 2bbu h ARG 80 Ca -0.02 -0.02 0.32 0.00 -0.81 0.00 0.00 59.98 59.44 2bbu h ARG 80 Cb 1.01 -0.09 -0.16 0.00 -0.42 0.00 0.00 29.97 30.31 2bbu h ARG 80 CO 0.08 0.26 0.87 -1.54 -1.51 0.00 0.00 179.97 178.12 2bbu s SER 81 N -5.42 -0.07 0.32 -3.80 1.04 -1.23 -5.00 113.70 99.53 2bbu s SER 81 Ca -0.13 -0.06 0.10 0.00 0.48 0.00 0.00 55.95 56.34 2bbu s SER 81 Cb 0.14 0.11 0.94 0.00 0.10 0.00 0.00 66.02 67.32 2bbu s SER 81 CO 0.73 -0.20 1.66 0.71 0.98 0.00 0.00 173.24 177.12 2bbu h THR 82 N 2.00 0.31 -6.34 2.02 1.35 -1.91 -3.41 112.91 106.93 2bbu h THR 82 Ca -0.20 -0.10 -0.19 0.00 -0.55 0.00 0.00 66.41 65.37 2bbu h THR 82 Cb 1.18 -0.01 0.01 0.00 -1.73 0.00 0.00 68.15 67.60 2bbu h THR 82 CO 0.26 0.05 -1.08 0.00 -0.25 0.00 0.00 175.52 174.50 2bbu n GLN 83 N -5.11 -1.34 0.00 4.72 6.02 -1.26 -4.76 117.38 115.64 2bbu n GLN 83 Ca 0.28 1.26 0.00 0.00 -0.01 0.00 0.00 57.00 58.53 2bbu n GLN 83 Cb 0.86 -1.96 0.00 0.00 1.02 0.00 0.00 30.24 30.16 2bbu n GLN 83 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2bbu n PRO 84 N 0.47 0.30 -4.21 -1.09 -0.04 -1.26 -5.03 135.00 124.14 2bbu n PRO 84 Ca -0.04 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.26 2bbu n PRO 84 Cb 0.56 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.91 2bbu n PRO 84 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2bbu s VAL 85 N -0.41 1.16 0.19 0.52 -7.23 -1.26 -5.03 120.40 108.34 2bbu s VAL 85 Ca 0.00 -1.64 -0.30 0.00 -1.81 0.00 0.00 61.98 58.24 2bbu s VAL 85 Cb 0.00 -1.41 -0.08 0.00 0.56 0.00 0.00 36.38 35.45 2bbu s VAL 85 CO 0.00 -0.44 1.17 -2.16 -0.31 0.00 0.00 175.10 173.35 2bbu s PRO 86 N -2.59 4.52 -1.22 4.82 0.04 -1.26 -3.58 135.00 135.73 2bbu s PRO 86 Ca 0.06 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 2bbu s PRO 86 Cb -0.05 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2bbu s PRO 86 CO 0.02 -0.03 0.98 0.54 0.04 0.00 0.00 177.00 178.55 2bbu n ARG 87 N 2.36 -6.53 -2.40 4.56 5.12 -1.26 -2.12 116.66 116.40 2bbu n ARG 87 Ca 0.03 0.83 -0.07 0.00 -1.93 0.00 0.00 57.85 56.71 2bbu n ARG 87 Cb 0.45 -5.80 -0.01 0.00 -1.16 0.00 0.00 32.46 25.93 2bbu n ARG 87 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 2bbu n PHE 88 N -4.19 -1.39 -2.21 -1.55 1.16 -1.23 -4.74 117.46 103.31 2bbu n PHE 88 Ca -0.27 0.11 -0.43 0.00 -1.87 0.00 0.00 57.45 54.99 2bbu n PHE 88 Cb 0.66 -0.90 -0.02 0.00 -1.61 0.00 0.00 39.48 37.61 2bbu n PHE 88 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2bbu s ASP 89 N -1.77 6.15 0.00 5.98 -1.08 -0.90 -4.40 116.67 120.65 2bbu s ASP 89 Ca 0.13 1.01 0.00 0.00 -0.52 0.00 0.00 52.55 53.17 2bbu s ASP 89 Cb -0.08 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.85 2bbu s ASP 89 CO 0.16 -1.56 0.00 0.00 0.52 0.00 0.00 175.17 174.30 2bbu h VAL 91 N 0.00 0.47 -0.24 0.00 -1.51 -1.89 4.26 116.25 117.34 2bbu h VAL 91 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 66.70 65.44 2bbu h VAL 91 Cb 0.00 0.47 -0.01 0.00 -2.13 0.00 0.00 31.29 29.62 2bbu h VAL 91 CO 0.00 0.00 0.04 -0.07 -1.23 0.00 0.00 177.57 176.31 2bbu h LEU 92 N -0.08 0.37 -1.17 4.19 3.38 -1.92 -2.46 115.31 117.62 2bbu h LEU 92 Ca 0.20 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2bbu h LEU 92 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2bbu h LEU 92 CO -0.46 0.53 -0.35 0.50 0.09 0.00 0.00 178.44 178.75 2bbu h LYS 93 N 0.20 0.12 -0.43 1.13 3.64 -1.66 -2.73 116.57 116.84 2bbu h LYS 93 Ca 0.07 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2bbu h LYS 93 Cb 0.32 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2bbu h LYS 93 CO 0.00 0.46 0.28 -0.07 -2.27 0.00 0.00 179.45 177.86 2bbu h LEU 94 N 0.10 0.44 -1.29 5.20 4.07 0.87 -2.12 115.31 122.58 2bbu h LEU 94 Ca 0.01 -0.01 0.18 0.00 0.08 0.00 0.00 57.88 58.14 2bbu h LEU 94 Cb 0.67 -0.10 -0.08 0.00 1.08 0.00 0.00 40.66 42.23 2bbu h LEU 94 CO 0.05 0.31 0.60 -0.37 -1.08 0.00 0.00 178.44 177.95 2bbu h VAL 95 N 0.51 0.74 0.08 1.22 -1.51 -1.16 2.42 116.25 118.55 2bbu h VAL 95 Ca 0.17 -0.21 0.01 0.00 -1.23 0.00 0.00 66.70 65.44 2bbu h VAL 95 Cb 0.04 0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 29.26 2bbu h VAL 95 CO -0.04 0.11 -0.15 -0.74 -1.23 0.00 0.00 177.57 175.52 2bbu h HIS 96 N 0.61 -0.40 0.21 5.19 6.17 -1.55 0.78 115.15 126.16 2bbu h HIS 96 Ca 0.50 0.01 -0.32 0.00 0.71 0.00 0.00 60.37 61.26 2bbu h HIS 96 Cb 0.94 0.17 0.04 0.00 2.52 0.00 0.00 27.41 31.08 2bbu h HIS 96 CO -0.00 -0.23 -1.39 1.12 0.71 0.00 0.00 177.93 178.14 2bbu h HIS 97 N -0.29 1.00 0.00 5.26 2.07 -1.19 -1.29 115.15 120.71 2bbu h HIS 97 Ca 0.03 -0.69 -0.01 0.00 -2.85 0.00 0.00 60.37 56.85 2bbu h HIS 97 Cb 0.32 -0.05 -0.00 0.00 2.57 0.00 0.00 27.41 30.24 2bbu h HIS 97 CO -0.17 1.53 -0.05 1.88 -3.07 0.00 0.00 177.93 178.05 2bbu h TYR 98 N 0.18 0.00 0.00 6.12 0.05 0.42 -3.36 116.97 120.38 2bbu h TYR 98 Ca -0.23 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.55 2bbu h TYR 98 Cb 2.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.81 2bbu h TYR 98 CO 0.13 0.05 0.00 -0.12 -1.05 0.00 0.00 178.16 177.17 2bbu n MET 99 N -3.37 0.00 -2.51 4.88 0.00 0.27 -4.84 117.12 111.55 2bbu n MET 99 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.26 2bbu n MET 99 Cb 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.39 2bbu n MET 99 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2bbu s PRO 100 N 0.00 4.46 0.28 2.12 0.04 -0.49 -4.43 135.00 136.98 2bbu s PRO 100 Ca 0.00 1.65 0.11 0.00 0.04 0.00 0.00 61.00 62.80 2bbu s PRO 100 Cb 0.00 -3.40 0.38 0.00 0.04 0.00 0.00 34.50 31.53 2bbu s PRO 100 CO 0.00 -0.21 1.62 -1.00 0.04 0.00 0.00 177.00 177.45 2bbu h PRO 101 N 6.85 0.00 -7.06 0.56 0.13 -1.88 -3.43 132.00 127.18 2bbu h PRO 101 Ca -0.41 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.25 2bbu h PRO 101 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.37 2bbu h PRO 101 CO 0.80 0.60 0.39 -1.25 -0.23 0.00 0.00 178.00 178.31 2bbu s PRO 102 N -3.62 3.85 -0.24 1.56 0.04 -1.26 -5.03 135.00 130.29 2bbu s PRO 102 Ca -0.01 1.38 -0.09 0.00 0.04 0.00 0.00 61.00 62.32 2bbu s PRO 102 Cb 0.13 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2bbu s PRO 102 CO 0.76 -0.40 0.12 0.20 0.04 0.00 0.00 177.00 177.73 2bbu s GLY 103 N -1.92 1.90 -0.52 0.56 0.00 -1.26 -5.00 107.32 101.08 2bbu s GLY 103 Ca 0.66 -0.98 -0.39 0.00 0.00 0.00 0.00 44.72 44.01 2bbu s GLY 103 CO 0.21 0.43 2.24 2.41 0.00 0.00 0.00 173.10 178.40 2bbu n THR 104 N 4.52 0.06 -0.98 0.90 -1.04 -1.26 -4.89 114.28 111.59 2bbu n THR 104 Ca -0.15 -0.12 -0.14 0.00 -2.04 0.00 0.00 64.05 61.60 2bbu n THR 104 Cb 0.52 -0.97 0.11 0.00 -1.82 0.00 0.00 70.33 68.17 2bbu n THR 104 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2bbu n PRO 105 N 7.92 -1.54 0.00 -2.82 -0.04 -1.26 -4.87 135.00 132.40 2bbu n PRO 105 Ca 0.51 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 63.11 2bbu n PRO 105 Cb 0.08 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 2bbu n PRO 105 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2bbu n SER 106 N -3.71 -3.80 -0.35 3.54 7.64 -1.26 -4.37 113.62 111.32 2bbu n SER 106 Ca 0.07 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.02 2bbu n SER 106 Cb 0.27 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.58 2bbu n SER 106 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 2bbu n PHE 107 N -0.62 0.00 -1.41 1.43 1.16 -1.26 -5.06 117.46 111.70 2bbu n PHE 107 Ca 0.00 -0.77 0.00 0.00 -1.87 0.00 0.00 57.45 54.81 2bbu n PHE 107 Cb 0.00 -0.14 0.00 0.00 -1.61 0.00 0.00 39.48 37.73 2bbu n PHE 107 CO 0.00 0.00 0.00 -1.13 -1.87 0.00 0.00 176.76 173.76 2bbu n SER 108 N -0.89 0.00 -3.08 5.98 3.41 -1.26 -4.80 113.62 112.98 2bbu n SER 108 Ca 0.11 -0.58 -0.12 0.00 -0.26 0.00 0.00 58.87 58.02 2bbu n SER 108 Cb 0.70 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.66 2bbu n SER 108 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2bbu n LEU 109 N 0.00 -5.37 -4.69 1.04 7.94 -1.26 -4.83 117.00 109.83 2bbu n LEU 109 Ca 0.00 0.55 -0.42 0.00 -1.11 0.00 0.00 56.01 55.03 2bbu n LEU 109 Cb 0.00 -2.42 -0.03 0.00 0.53 0.00 0.00 43.42 41.50 2bbu n LEU 109 CO 0.00 -1.72 1.05 -2.16 -1.11 0.00 0.00 177.39 173.44 2bbu s PRO 110 N -1.87 4.31 0.00 1.96 0.04 -1.26 -4.89 135.00 133.29 2bbu s PRO 110 Ca 0.15 1.83 0.19 0.00 0.04 0.00 0.00 61.00 63.21 2bbu s PRO 110 Cb -0.03 -3.57 0.96 0.00 0.04 0.00 0.00 34.50 31.90 2bbu s PRO 110 CO 0.58 -0.52 1.60 -0.35 0.04 0.00 0.00 177.00 178.35 2bbu n PRO 111 N 5.33 0.24 -1.67 0.56 -0.04 -1.26 -4.82 135.00 133.35 2bbu n PRO 111 Ca 0.12 0.11 -0.50 0.00 -0.04 0.00 0.00 63.50 63.19 2bbu n PRO 111 Cb 0.45 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 2bbu n PRO 111 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2bbu n THR 112 N -1.31 0.26 0.18 0.52 -1.04 -1.26 -4.88 114.28 106.74 2bbu n THR 112 Ca 0.09 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.05 61.94 2bbu n THR 112 Cb 0.16 -1.48 -0.06 0.00 -1.82 0.00 0.00 70.33 67.12 2bbu n THR 112 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2bbu h GLU 113 N 7.08 -0.49 -7.03 -2.82 3.07 -1.87 -3.44 114.58 109.07 2bbu h GLU 113 Ca -0.47 0.03 -0.49 0.00 -0.50 0.00 0.00 59.36 57.94 2bbu h GLU 113 Cb 1.28 0.11 0.04 0.00 -0.84 0.00 0.00 28.75 29.34 2bbu h GLU 113 CO 0.90 -0.19 0.42 -1.25 -1.40 0.00 0.00 179.01 177.49 2bbu s PRO 114 N -3.93 3.83 0.55 2.33 0.04 -1.26 -4.72 135.00 131.83 2bbu s PRO 114 Ca -0.12 1.52 -0.20 0.00 0.04 0.00 0.00 61.00 62.25 2bbu s PRO 114 Cb 0.01 -2.27 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 2bbu s PRO 114 CO 0.41 -0.44 1.17 -1.12 0.04 0.00 0.00 177.00 177.06 2bbu s SER 115 N -1.71 5.60 -0.04 6.66 0.01 -1.26 -5.04 113.70 117.92 2bbu s SER 115 Ca 0.65 2.28 -0.29 0.00 1.31 0.00 0.00 55.95 59.90 2bbu s SER 115 Cb -0.21 -2.59 0.06 0.00 0.21 0.00 0.00 66.02 63.49 2bbu s SER 115 CO 0.26 -1.31 0.64 -0.44 0.41 0.00 0.00 173.24 172.80 2bbu s SER 116 N -1.63 -0.60 -1.57 2.44 0.01 -1.26 -4.90 113.70 106.18 2bbu s SER 116 Ca 0.73 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.61 2bbu s SER 116 Cb -0.27 0.52 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2bbu s SER 116 CO 0.30 -0.61 0.00 -0.62 0.41 0.00 0.00 173.24 172.73 2bbu n GLU 117 N 0.89 -1.65 -3.47 12.44 1.02 -1.26 -4.92 120.64 123.69 2bbu n GLU 117 Ca -0.19 0.88 -0.38 0.00 -0.02 0.00 0.00 57.16 57.45 2bbu n GLU 117 Cb 0.57 -5.34 -0.09 0.00 -0.02 0.00 0.00 31.44 26.56 2bbu n GLU 117 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2bbu s VAL 118 N -2.59 5.24 0.00 2.62 1.01 -1.26 -5.02 120.40 120.39 2bbu s VAL 118 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.49 2bbu s VAL 118 Cb 0.00 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.73 2bbu s VAL 118 CO 0.00 0.24 0.00 -0.81 0.00 0.00 0.00 175.10 174.53 2bbu n PRO 119 N 4.74 0.00 0.00 2.72 -0.04 -1.26 -4.97 135.00 136.19 2bbu n PRO 119 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2bbu n PRO 119 Cb 0.51 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.80 2bbu n PRO 119 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2bbu n GLU 120 N 0.00 0.22 -4.47 0.54 1.02 -1.26 -5.08 120.64 111.60 2bbu n GLU 120 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2bbu n GLU 120 Cb 0.00 -0.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.70 2bbu n GLU 120 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2bbu s GLN 121 N -1.23 2.57 1.02 3.49 -2.07 -1.26 -5.11 119.66 117.07 2bbu s GLN 121 Ca 0.00 -0.71 -0.15 0.00 -1.82 0.00 0.00 55.36 52.68 2bbu s GLN 121 Cb 0.00 -2.51 0.20 0.00 -1.09 0.00 0.00 33.01 29.61 2bbu s GLN 121 CO 0.00 0.61 1.15 -1.25 -1.32 0.00 0.00 175.29 174.48 2bbu s PRO 122 N -1.36 0.21 0.51 9.60 0.04 -1.26 -4.94 135.00 137.80 2bbu s PRO 122 Ca 0.17 0.10 0.30 0.00 0.04 0.00 0.00 61.00 61.61 2bbu s PRO 122 Cb -0.11 -1.75 1.04 0.00 0.04 0.00 0.00 34.50 33.72 2bbu s PRO 122 CO 0.07 -2.79 1.87 -1.00 0.04 0.00 0.00 177.00 175.19 2bbu h PRO 123 N -1.92 0.00 -6.64 0.56 0.13 -2.03 -3.44 132.00 118.66 2bbu h PRO 123 Ca -0.49 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.14 2bbu h PRO 123 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2bbu h PRO 123 CO 0.49 0.01 0.30 0.00 -0.23 0.00 0.00 178.00 178.57 2bbu s ALA 124 N -3.53 3.36 0.00 -0.56 0.00 -1.26 -4.80 121.76 114.97 2bbu s ALA 124 Ca 0.03 0.53 0.00 0.00 0.00 0.00 0.00 51.96 52.52 2bbu s ALA 124 Cb 0.08 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 20.05 2bbu s ALA 124 CO 0.58 0.19 0.00 0.94 0.00 0.00 0.00 175.76 177.48 2bbu n GLN 125 N 1.76 0.00 -3.46 0.00 7.27 -1.26 -5.07 117.38 116.62 2bbu n GLN 125 Ca -0.02 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.62 2bbu n GLN 125 Cb 0.48 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 33.06 2bbu n GLN 125 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2bbu s ALA 126 N -1.35 3.49 -0.29 1.69 0.00 -1.26 -5.00 121.76 119.03 2bbu s ALA 126 Ca 0.00 -2.51 -0.15 0.00 0.00 0.00 0.00 51.96 49.30 2bbu s ALA 126 Cb 0.00 -2.99 0.15 0.00 0.00 0.00 0.00 23.12 20.28 2bbu s ALA 126 CO 0.00 -1.93 0.95 -0.48 0.00 0.00 0.00 175.76 174.30 2bbu s LEU 127 N 1.46 -0.58 -0.05 0.00 0.05 -1.26 -5.05 118.68 113.25 2bbu s LEU 127 Ca 0.05 0.87 -0.16 0.00 0.05 0.00 0.00 54.13 54.93 2bbu s LEU 127 Cb -0.27 1.76 -0.10 0.00 -2.05 0.00 0.00 46.19 45.53 2bbu s LEU 127 CO 0.01 -0.13 0.68 1.55 -0.55 0.00 0.00 176.35 177.91 2bbu h PRO 128 N 6.73 -0.38 0.00 1.48 0.13 -2.06 -3.46 132.00 134.43 2bbu h PRO 128 Ca -0.23 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2bbu h PRO 128 Cb 1.16 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2bbu h PRO 128 CO 0.15 -0.13 0.00 0.41 -0.23 0.00 0.00 178.00 178.20 2bbu n GLY 129 N 0.55 0.96 3.10 1.56 0.00 -1.26 -5.02 105.19 105.09 2bbu n GLY 129 Ca -0.07 -0.61 -0.34 0.00 0.00 0.00 0.00 46.02 45.00 2bbu n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bbu s SER 130 N -1.00 4.97 0.00 1.61 0.15 -1.26 -4.98 113.70 113.19 2bbu s SER 130 Ca 0.00 -1.83 -0.25 0.00 0.70 0.00 0.00 55.95 54.57 2bbu s SER 130 Cb 0.00 -1.72 -0.17 0.00 -1.71 0.00 0.00 66.02 62.42 2bbu s SER 130 CO 0.00 -0.40 1.20 0.74 1.20 0.00 0.00 173.24 175.98 2bbu h THR 131 N 6.49 0.75 -2.59 6.45 2.02 -1.95 -3.40 112.91 120.69 2bbu h THR 131 Ca -0.13 -0.68 -0.54 0.00 0.77 0.00 0.00 66.41 65.83 2bbu h THR 131 Cb 1.04 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 2bbu h THR 131 CO 0.59 0.13 1.22 -2.16 0.37 0.00 0.00 175.52 175.68 2bbu s PRO 132 N -4.52 3.15 0.00 6.66 0.04 -1.26 -4.59 135.00 134.47 2bbu s PRO 132 Ca -0.14 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2bbu s PRO 132 Cb 0.02 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2bbu s PRO 132 CO 0.55 -2.10 0.00 1.17 0.04 0.00 0.00 177.00 176.65 2bbu n LYS 133 N 8.68 0.00 -1.75 4.56 4.81 -1.26 -5.04 118.16 128.16 2bbu n LYS 133 Ca 0.18 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.21 2bbu n LYS 133 Cb 0.49 -0.14 -0.03 0.00 0.02 0.00 0.00 35.03 35.37 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 -1.62 2.87 0.00 1.64 3.00 -1.26 -4.81 118.95 118.77 2bbu s ARG 134 Ca 0.00 1.56 0.00 0.00 0.00 0.00 0.00 55.73 57.29 2bbu s ARG 134 Cb 0.00 -4.38 0.00 0.00 0.00 0.00 0.00 34.95 30.57 2bbu s ARG 134 CO 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 175.30 172.89 2bbu n ALA 135 N 12.50 0.00 -2.78 2.13 0.00 -1.26 -5.04 120.51 126.06 2bbu n ALA 135 Ca 0.29 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.36 2bbu n ALA 135 Cb 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 2bbu n ALA 135 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2bbu s TYR 136 N 0.00 3.20 0.23 0.00 5.04 -1.06 -4.93 117.35 119.83 2bbu s TYR 136 Ca 0.00 -0.03 -0.18 0.00 -2.44 0.00 0.00 57.07 54.42 2bbu s TYR 136 Cb 0.00 -2.27 0.02 0.00 0.35 0.00 0.00 41.96 40.06 2bbu s TYR 136 CO 0.00 -0.13 0.57 1.52 -1.34 0.00 0.00 175.55 176.17 2bbu s TYR 137 N 1.36 -0.04 0.12 4.97 -0.85 -1.26 -2.57 117.35 119.08 2bbu s TYR 137 Ca 0.06 -0.33 0.11 0.00 -0.52 0.00 0.00 57.07 56.38 2bbu s TYR 137 Cb -0.15 0.44 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 2bbu s TYR 137 CO 0.06 -1.02 -0.27 0.42 -1.52 0.00 0.00 175.55 173.22 2bbu s ILE 138 N -3.92 2.22 -0.51 -3.49 1.09 -1.10 -4.90 121.20 110.59 2bbu s ILE 138 Ca 0.12 -1.70 -0.25 0.00 -1.10 0.00 0.00 60.65 57.72 2bbu s ILE 138 Cb -0.02 -1.96 0.03 0.00 -1.06 0.00 0.00 42.46 39.45 2bbu s ILE 138 CO 0.02 0.12 0.97 -0.31 -0.10 0.00 0.00 174.94 175.64 2bbu s TYR 139 N -1.03 2.83 -0.35 3.97 2.02 -1.26 -1.58 117.35 121.96 2bbu s TYR 139 Ca 0.13 0.26 -0.03 0.00 -0.37 0.00 0.00 57.07 57.07 2bbu s TYR 139 Cb -0.10 -4.10 -0.05 0.00 -0.40 0.00 0.00 41.96 37.31 2bbu s TYR 139 CO 0.05 -1.26 1.64 0.43 -1.57 0.00 0.00 175.55 174.84 2bbu n SER 140 N 7.46 2.55 -2.34 2.29 7.64 1.15 -4.42 113.62 127.95 2bbu n SER 140 Ca 0.05 -2.06 -0.04 0.00 1.01 0.00 0.00 58.87 57.83 2bbu n SER 140 Cb 0.48 -0.72 0.01 0.00 -1.01 0.00 0.00 64.21 62.97 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 3.47 -1.58 3.01 0.23 0.00 -1.26 -3.79 105.19 105.28 2bbu n GLY 141 Ca 0.22 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.91 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 -0.23 2.70 3.13 -0.02 0.00 -1.26 -4.97 105.19 104.55 2bbu n GLY 142 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 2.97 -0.54 1.61 0.41 -1.25 -5.08 118.70 116.82 2bbu s GLU 143 Ca 0.00 -0.83 -0.22 0.00 -0.41 0.00 0.00 54.97 53.51 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 0.82 0.15 -0.49 0.00 0.00 175.26 175.60 2bbu s LYS 144 N 1.13 3.23 -0.42 1.61 3.01 -1.26 0.36 119.74 127.41 2bbu s LYS 144 Ca 0.01 -0.55 -0.18 0.00 -1.01 0.00 0.00 55.97 54.24 2bbu s LYS 144 Cb -0.14 -4.08 0.02 0.00 -1.01 0.00 0.00 37.83 32.62 2bbu s LYS 144 CO -0.09 -1.40 0.48 0.42 0.51 0.00 0.00 175.35 175.27 2bbu s ILE 145 N 3.43 5.03 0.07 2.17 1.09 -0.61 -4.93 121.20 127.46 2bbu s ILE 145 Ca 0.24 -0.20 -0.31 0.00 -1.10 0.00 0.00 60.65 59.28 2bbu s ILE 145 Cb -0.15 -4.06 -0.06 0.00 -1.06 0.00 0.00 42.46 37.12 2bbu s ILE 145 CO 0.16 -0.44 1.29 -2.16 -0.10 0.00 0.00 174.94 173.69 2bbu s PRO 146 N 2.29 4.37 -0.04 2.79 0.04 -1.26 -2.73 135.00 140.47 2bbu s PRO 146 Ca 0.15 1.90 0.05 0.00 0.04 0.00 0.00 61.00 63.13 2bbu s PRO 146 Cb -0.16 -3.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.04 2bbu s PRO 146 CO 0.15 -0.36 -0.18 -0.51 0.04 0.00 0.00 177.00 176.14 2bbu s LEU 147 N 1.22 1.94 -0.31 -3.56 1.43 -1.06 -4.74 118.68 113.60 2bbu s LEU 147 Ca 0.61 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 53.21 2bbu s LEU 147 Cb -0.32 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 2bbu s LEU 147 CO 0.29 0.16 0.33 -0.69 0.23 0.00 0.00 176.35 176.67 2bbu s VAL 148 N -0.02 5.20 -0.24 -1.59 1.01 -1.26 -2.57 120.40 120.93 2bbu s VAL 148 Ca -0.03 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 2bbu s VAL 148 Cb -0.11 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.57 2bbu s VAL 148 CO 0.02 0.04 -0.08 -0.22 0.00 0.00 0.00 175.10 174.86 2bbu s LEU 149 N 1.97 3.14 -0.33 3.92 0.20 -1.26 -4.94 118.68 121.38 2bbu s LEU 149 Ca 0.11 -0.93 0.15 0.00 0.69 0.00 0.00 54.13 54.16 2bbu s LEU 149 Cb -0.16 -1.63 0.43 0.00 -0.43 0.00 0.00 46.19 44.39 2bbu s LEU 149 CO 0.11 -0.13 1.42 -1.20 -0.29 0.00 0.00 176.35 176.26 2bbu n SER 150 N 4.63 -0.77 -4.03 3.68 7.64 -1.26 -3.82 113.62 119.69 2bbu n SER 150 Ca -0.16 -2.21 -0.28 0.00 1.01 0.00 0.00 58.87 57.22 2bbu n SER 150 Cb 0.47 0.43 -0.17 0.00 -1.01 0.00 0.00 64.21 63.93 2bbu n SER 150 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2bbu s ARG 151 N -0.80 2.06 0.46 1.43 0.52 -1.26 -4.83 118.95 116.53 2bbu s ARG 151 Ca 0.15 -0.50 -0.22 0.00 -0.52 0.00 0.00 55.73 54.63 2bbu s ARG 151 Cb 0.42 -1.78 -0.08 0.00 0.52 0.00 0.00 34.95 34.02 2bbu s ARG 151 CO -0.10 -0.08 1.07 -1.25 0.02 0.00 0.00 175.30 174.96 2bbu s PRO 152 N 1.03 3.88 0.48 3.54 0.04 -1.26 -3.23 135.00 139.49 2bbu s PRO 152 Ca -0.06 1.50 -0.20 0.00 0.04 0.00 0.00 61.00 62.27 2bbu s PRO 152 Cb -0.15 -2.28 -0.09 0.00 0.04 0.00 0.00 34.50 32.02 2bbu s PRO 152 CO -0.02 -0.39 1.02 -1.17 0.04 0.00 0.00 177.00 176.48 2bbu s LEU 153 N -3.16 3.82 -0.40 -3.56 2.96 -1.25 -4.82 118.68 112.27 2bbu s LEU 153 Ca 0.64 1.84 -0.29 0.00 -0.22 0.00 0.00 54.13 56.11 2bbu s LEU 153 Cb -0.21 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 41.94 2bbu s LEU 153 CO 0.25 -0.70 1.51 -0.44 -1.32 0.00 0.00 176.35 175.65 2bbu s SER 154 N -2.16 6.20 -0.31 3.68 0.01 -1.26 -4.49 113.70 115.37 2bbu s SER 154 Ca 0.65 0.90 -0.06 0.00 1.31 0.00 0.00 55.95 58.75 2bbu s SER 154 Cb -0.14 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.74 2bbu s SER 154 CO 0.20 -1.53 0.94 -0.94 0.41 0.00 0.00 173.24 172.32 2bbu s SER 155 N 4.53 -0.69 0.00 2.44 1.04 -1.24 -5.03 113.70 114.76 2bbu s SER 155 Ca 0.65 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 57.04 2bbu s SER 155 Cb -0.15 1.24 0.09 0.00 0.10 0.00 0.00 66.02 67.30 2bbu s SER 155 CO 0.32 -0.11 0.58 -3.20 0.98 0.00 0.00 173.24 171.81