#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 -0.22 -0.27 -1.84 3.20 -1.98 0.83 116.97 116.69 2bbu h TYR 2 Ca 0.00 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 2bbu h TYR 2 Cb 0.00 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 2bbu h TYR 2 CO 0.00 -0.01 -0.33 0.37 -1.64 0.00 0.00 178.16 176.56 2bbu h GLN 3 N -0.40 0.57 -0.45 1.82 -0.00 -1.99 -1.25 115.11 113.42 2bbu h GLN 3 Ca -0.02 -0.26 -0.09 0.00 -0.00 0.00 0.00 58.65 58.28 2bbu h GLN 3 Cb 0.31 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 2bbu h GLN 3 CO 0.04 0.83 -0.08 -0.07 0.00 0.00 0.00 178.83 179.55 2bbu h LEU 4 N 0.49 0.84 -0.09 -2.39 3.38 -1.87 -2.32 115.31 113.35 2bbu h LEU 4 Ca 0.06 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.60 2bbu h LEU 4 Cb 0.81 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2bbu h LEU 4 CO 0.07 0.99 -0.23 0.58 0.09 0.00 0.00 178.44 179.94 2bbu h VAL 5 N 0.68 1.40 -0.39 1.22 2.07 -0.74 -3.07 116.25 117.41 2bbu h VAL 5 Ca 0.12 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 66.12 2bbu h VAL 5 Cb 0.61 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 2bbu h VAL 5 CO 0.04 0.45 0.27 1.62 0.02 0.00 0.00 177.57 179.96 2bbu h VAL 6 N -0.14 0.98 -0.39 2.57 3.04 -1.24 -0.43 116.25 120.63 2bbu h VAL 6 Ca -0.00 -0.12 -0.12 0.00 -1.01 0.00 0.00 66.70 65.45 2bbu h VAL 6 Cb 0.84 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 2bbu h VAL 6 CO 0.05 0.06 -0.25 -1.13 -1.01 0.00 0.00 177.57 175.30 2bbu h ASN 7 N 0.34 0.82 0.01 3.17 -0.73 -1.37 -2.09 115.58 115.73 2bbu h ASN 7 Ca 0.17 -0.31 -0.14 0.00 1.87 0.00 0.00 56.30 57.90 2bbu h ASN 7 Cb 0.24 -0.23 0.01 0.00 0.27 0.00 0.00 38.32 38.62 2bbu h ASN 7 CO -0.04 1.03 -0.54 0.00 -0.37 0.00 0.00 177.43 177.51 2bbu h ALA 8 N 1.03 0.05 -0.98 1.57 0.00 -1.18 -3.20 119.26 116.55 2bbu h ALA 8 Ca 0.09 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.50 2bbu h ALA 8 Cb 0.77 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 2bbu h ALA 8 CO 0.06 0.29 0.64 -0.39 0.00 0.00 0.00 179.25 179.85 2bbu h VAL 9 N -0.22 1.12 -0.47 0.00 -1.51 -1.14 0.49 116.25 114.52 2bbu h VAL 9 Ca -0.07 -0.41 0.06 0.00 -1.23 0.00 0.00 66.70 65.05 2bbu h VAL 9 Cb 1.27 -0.17 -0.05 0.00 -2.13 0.00 0.00 31.29 30.21 2bbu h VAL 9 CO 0.11 0.22 0.17 -0.09 -1.23 0.00 0.00 177.57 176.74 2bbu h ARG 10 N 1.18 0.34 0.08 5.19 2.43 -1.41 1.89 114.38 124.08 2bbu h ARG 10 Ca 0.41 -0.02 -0.26 0.00 -0.81 0.00 0.00 59.98 59.30 2bbu h ARG 10 Cb 0.10 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2bbu h ARG 10 CO -0.15 0.22 -1.12 0.87 -1.51 0.00 0.00 179.97 178.28 2bbu h LYS 11 N 0.35 0.37 -0.14 0.20 1.79 -1.35 -2.12 116.57 115.67 2bbu h LYS 11 Ca 0.22 -0.50 -0.11 0.00 -2.18 0.00 0.00 60.65 58.08 2bbu h LYS 11 Cb 0.22 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 2bbu h LYS 11 CO -0.22 1.19 -0.35 1.25 -1.08 0.00 0.00 179.45 180.24 2bbu h LEU 12 N 0.16 0.56 -0.87 2.94 5.85 0.50 -3.09 115.31 121.35 2bbu h LEU 12 Ca -0.12 -0.58 -0.11 0.00 0.84 0.00 0.00 57.88 57.91 2bbu h LEU 12 Cb 1.81 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 2bbu h LEU 12 CO 0.19 1.04 -0.35 0.06 -0.34 0.00 0.00 178.44 179.04 2bbu h GLN 13 N 0.10 0.42 -0.56 1.25 3.07 0.28 -3.05 115.11 116.62 2bbu h GLN 13 Ca -0.00 -0.18 0.04 0.00 0.09 0.00 0.00 58.65 58.59 2bbu h GLN 13 Cb 0.96 -0.01 -0.04 0.00 0.08 0.00 0.00 27.48 28.47 2bbu h GLN 13 CO 0.08 0.71 0.32 0.93 0.09 0.00 0.00 178.83 180.96 2bbu h GLU 14 N 0.35 0.60 -0.28 0.06 5.08 -1.36 -0.41 114.58 118.62 2bbu h GLU 14 Ca 0.04 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.45 2bbu h GLU 14 Cb 0.78 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2bbu h GLU 14 CO 0.06 0.39 0.27 1.03 -1.00 0.00 0.00 179.01 179.76 2bbu h SER 15 N 0.61 0.00 -0.01 1.42 0.87 -1.45 -3.45 113.55 111.55 2bbu h SER 15 Ca 0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 2bbu h SER 15 Cb 0.08 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2bbu h SER 15 CO -0.13 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.78 2bbu n GLY 16 N -1.48 0.98 2.75 5.77 0.00 -0.16 -5.04 105.19 108.01 2bbu n GLY 16 Ca 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 2bbu n GLY 16 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2bbu n PHE 17 N -0.01 0.87 -4.75 1.61 3.72 -1.24 -4.64 117.46 113.02 2bbu n PHE 17 Ca 0.00 -2.37 -0.26 0.00 -0.05 0.00 0.00 57.45 54.77 2bbu n PHE 17 Cb 0.00 -0.11 -0.17 0.00 -0.94 0.00 0.00 39.48 38.27 2bbu n PHE 17 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 2bbu s TYR 18 N -3.14 1.72 0.03 1.38 6.14 -1.26 -4.54 117.35 117.68 2bbu s TYR 18 Ca 0.26 -0.65 0.00 0.00 0.64 0.00 0.00 57.07 57.32 2bbu s TYR 18 Cb 0.39 -1.22 -0.04 0.00 0.42 0.00 0.00 41.96 41.51 2bbu s TYR 18 CO -0.02 -0.30 0.13 -1.58 0.64 0.00 0.00 175.55 174.42 2bbu s TRP 19 N 0.55 3.36 0.00 4.97 0.52 -1.15 -4.92 118.94 122.27 2bbu s TRP 19 Ca -0.15 0.21 0.00 0.00 0.02 0.00 0.00 56.10 56.19 2bbu s TRP 19 Cb -0.16 -1.73 0.00 0.00 -1.15 0.00 0.00 33.47 30.43 2bbu s TRP 19 CO 0.05 0.57 0.00 0.43 0.02 0.00 0.00 176.95 178.02 2bbu n SER 20 N 0.77 0.00 0.00 2.95 7.64 -1.26 -4.09 113.62 119.63 2bbu n SER 20 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 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 -3.00 0.00 -1.00 -0.43 0.00 -1.26 -1.96 120.51 112.86 2bbu n ALA 21 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2bbu n ALA 21 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2bbu n ALA 21 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2bbu n VAL 22 N 0.00 0.00 -2.69 0.00 0.31 -1.26 -4.90 118.33 109.78 2bbu n VAL 22 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.12 2bbu n VAL 22 Cb 0.00 -0.04 0.03 0.00 -0.91 0.00 0.00 33.84 32.92 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 2.91 0.00 2.52 2.01 -1.26 -4.73 115.64 117.09 2bbu s THR 23 Ca 0.00 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.38 2bbu s THR 23 Cb 0.00 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.42 2bbu s THR 23 CO 0.00 -0.07 0.23 0.61 -0.69 0.00 0.00 174.62 174.70 2bbu n GLY 24 N -2.30 -1.74 0.07 4.40 0.00 -1.26 -0.75 105.19 103.60 2bbu n GLY 24 Ca 0.07 0.33 -0.07 0.00 0.00 0.00 0.00 46.02 46.35 2bbu n GLY 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bbu h GLY 25 N 0.00 0.01 0.77 -0.02 0.00 -2.00 -3.31 103.07 98.52 2bbu h GLY 25 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.36 2bbu h GLY 25 CO 0.00 0.02 0.46 -2.09 0.00 0.00 0.00 176.54 174.92 2bbu h GLU 26 N 0.00 0.83 -0.12 4.80 4.57 -1.94 1.31 114.58 124.03 2bbu h GLU 26 Ca -0.01 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2bbu h GLU 26 Cb 1.72 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 30.11 2bbu h GLU 26 CO 0.13 0.55 0.04 0.00 -1.18 0.00 0.00 179.01 178.54 2bbu h ALA 27 N 1.35 0.13 -0.27 2.92 0.00 -1.02 1.08 119.26 123.45 2bbu h ALA 27 Ca 0.32 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2bbu h ALA 27 Cb 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2bbu h ALA 27 CO -0.15 -0.42 -0.16 -0.91 0.00 0.00 0.00 179.25 177.61 2bbu h ASN 28 N 0.09 0.60 0.39 0.00 2.35 -1.47 -3.20 115.58 114.34 2bbu h ASN 28 Ca 0.05 -0.43 -0.12 0.00 -0.55 0.00 0.00 56.30 55.25 2bbu h ASN 28 Cb 0.03 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2bbu h ASN 28 CO -0.06 0.90 -0.53 -0.07 -1.65 0.00 0.00 177.43 176.02 2bbu h LEU 29 N 0.31 0.17 -2.12 1.61 -0.00 0.19 -3.11 115.31 112.36 2bbu h LEU 29 Ca 0.06 -0.09 0.06 0.00 -0.00 0.00 0.00 57.88 57.91 2bbu h LEU 29 Cb 0.69 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 2bbu h LEU 29 CO 0.05 0.67 0.31 0.17 -0.00 0.00 0.00 178.44 179.63 2bbu h LEU 30 N 0.12 0.00 0.03 1.67 8.10 0.12 0.21 115.31 125.56 2bbu h LEU 30 Ca 0.00 0.00 -0.26 0.00 0.11 0.00 0.00 57.88 57.73 2bbu h LEU 30 Cb 0.97 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 41.20 2bbu h LEU 30 CO 0.08 0.00 -1.15 0.17 -4.11 0.00 0.00 178.44 173.42 2bbu h LEU 31 N 0.00 0.50 -0.83 0.17 8.10 -1.68 -2.53 115.31 119.03 2bbu h LEU 31 Ca 0.10 -0.48 -0.12 0.00 0.11 0.00 0.00 57.88 57.49 2bbu h LEU 31 Cb 0.72 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.77 2bbu h LEU 31 CO -0.00 1.34 -0.47 0.77 -4.11 0.00 0.00 178.44 175.97 2bbu h SER 32 N 0.14 0.29 1.84 0.17 4.64 -0.76 0.35 113.55 120.21 2bbu h SER 32 Ca -0.12 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 2bbu h SER 32 Cb 1.84 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.85 2bbu h SER 32 CO 0.20 0.72 -0.16 0.00 -0.87 0.00 0.00 176.83 176.71 2bbu h ALA 33 N 1.30 0.91 -2.01 5.18 0.00 -1.28 -3.38 119.26 119.98 2bbu h ALA 33 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bbu h ALA 33 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2bbu h ALA 33 CO 0.07 0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.81 2bbu n GLU 34 N -3.08 0.00 -1.03 0.00 -0.58 -0.96 -4.79 120.64 110.20 2bbu n GLU 34 Ca 0.03 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.43 2bbu n GLU 34 Cb 0.56 -0.05 -0.03 0.00 -0.57 0.00 0.00 31.44 31.35 2bbu n GLU 34 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2bbu n PRO 35 N -1.60 1.95 -1.59 3.49 -0.04 0.09 -4.93 135.00 132.38 2bbu n PRO 35 Ca 0.00 -1.76 -0.43 0.00 -0.04 0.00 0.00 63.50 61.27 2bbu n PRO 35 Cb 0.00 -2.75 -0.01 0.00 -0.04 0.00 0.00 33.50 30.71 2bbu n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu n ALA 36 N 5.81 -0.14 -1.17 0.55 0.00 -1.22 -1.15 120.51 123.19 2bbu n ALA 36 Ca 0.49 0.34 -0.05 0.00 0.00 0.00 0.00 53.44 54.21 2bbu n ALA 36 Cb 0.28 -2.03 -0.02 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 1.23 0.79 3.05 0.00 0.00 -1.26 -5.01 105.19 103.98 2bbu n GLY 37 Ca 0.09 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.20 0.62 0.19 2.61 2.01 -0.30 -4.19 115.64 114.39 2bbu s THR 38 Ca 0.00 -0.85 0.10 0.00 0.31 0.00 0.00 61.69 61.25 2bbu s THR 38 Cb 0.00 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 2bbu s THR 38 CO 0.00 -0.18 -0.19 0.72 -0.69 0.00 0.00 174.62 174.28 2bbu s PHE 39 N -0.95 1.98 0.09 4.92 -0.12 0.33 -4.08 117.98 120.14 2bbu s PHE 39 Ca -0.05 -0.44 -0.12 0.00 -0.05 0.00 0.00 56.93 56.28 2bbu s PHE 39 Cb -0.08 -0.96 0.01 0.00 -0.63 0.00 0.00 43.02 41.37 2bbu s PHE 39 CO 0.00 0.42 0.27 -1.17 -0.05 0.00 0.00 175.22 174.69 2bbu s LEU 40 N -2.82 1.02 -0.14 -1.99 0.20 -1.24 0.27 118.68 113.99 2bbu s LEU 40 Ca 0.19 -0.47 0.00 0.00 0.69 0.00 0.00 54.13 54.55 2bbu s LEU 40 Cb -0.06 1.33 -0.01 0.00 -0.43 0.00 0.00 46.19 47.02 2bbu s LEU 40 CO 0.08 -0.74 -0.14 -0.51 -0.29 0.00 0.00 176.35 174.75 2bbu s ILE 41 N -3.59 2.88 0.10 6.68 2.07 -1.26 -3.15 121.20 124.93 2bbu s ILE 41 Ca 0.02 -0.71 0.07 0.00 -1.41 0.00 0.00 60.65 58.62 2bbu s ILE 41 Cb 0.03 -2.21 -0.04 0.00 0.13 0.00 0.00 42.46 40.37 2bbu s ILE 41 CO -0.10 0.52 -0.10 0.00 -1.91 0.00 0.00 174.94 173.35 2bbu s ARG 42 N 0.50 2.14 0.13 3.50 1.04 0.23 -2.93 118.95 123.55 2bbu s ARG 42 Ca -0.10 -1.02 -0.30 0.00 -1.04 0.00 0.00 55.73 53.27 2bbu s ARG 42 Cb -0.16 -2.31 -0.07 0.00 -2.04 0.00 0.00 34.95 30.37 2bbu s ARG 42 CO 0.04 0.51 1.18 0.34 -0.04 0.00 0.00 175.30 177.34 2bbu s ASP 43 N -2.18 7.11 0.15 -2.89 2.15 -0.83 -0.99 116.67 119.20 2bbu s ASP 43 Ca 0.21 2.11 -0.18 0.00 0.43 0.00 0.00 52.55 55.12 2bbu s ASP 43 Cb -0.11 -2.59 0.05 0.00 -0.30 0.00 0.00 42.92 39.97 2bbu s ASP 43 CO 0.13 -0.39 1.69 0.28 -0.17 0.00 0.00 175.17 176.71 2bbu h SER 44 N 5.95 -0.26 0.00 -0.34 0.02 0.34 -3.44 113.55 115.81 2bbu h SER 44 Ca -0.43 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2bbu h SER 44 Cb 1.21 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.94 2bbu h SER 44 CO 0.77 -0.09 0.00 -1.20 -1.14 0.00 0.00 176.83 175.17 2bbu n SER 45 N -5.24 0.00 0.00 3.07 7.64 -1.25 -4.93 113.62 112.91 2bbu n SER 45 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2bbu n SER 45 Cb 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2bbu n SER 45 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2bbu n ASP 46 N 0.00 0.00 -0.01 6.43 8.00 -1.26 -3.37 116.55 126.34 2bbu n ASP 46 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 2bbu n ASP 46 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 40.96 2bbu n ASP 46 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 2bbu n GLN 47 N 13.20 0.73 -1.11 -1.24 7.27 -1.26 -4.84 117.38 130.13 2bbu n GLN 47 Ca 0.00 0.26 -0.01 0.00 0.07 0.00 0.00 57.00 57.32 2bbu n GLN 47 Cb 0.00 -1.71 0.00 0.00 2.41 0.00 0.00 30.24 30.94 2bbu n GLN 47 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2bbu n ARG 48 N -3.38 0.10 -3.44 3.69 1.85 -1.22 -5.03 116.66 109.22 2bbu n ARG 48 Ca -0.30 -0.16 -0.30 0.00 -1.00 0.00 0.00 57.85 56.08 2bbu n ARG 48 Cb 1.05 0.29 -0.04 0.00 -1.05 0.00 0.00 32.46 32.70 2bbu n ARG 48 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2bbu s HIS 49 N 0.01 3.46 -0.01 2.89 0.09 -1.23 -4.36 115.29 116.13 2bbu s HIS 49 Ca 0.01 0.71 -0.01 0.00 -0.00 0.00 0.00 55.06 55.76 2bbu s HIS 49 Cb 0.03 -2.14 0.01 0.00 -0.00 0.00 0.00 32.58 30.48 2bbu s HIS 49 CO -0.01 0.27 0.03 0.34 -0.00 0.00 0.00 174.74 175.36 2bbu n PHE 50 N -0.41 -1.96 -5.25 1.40 -0.00 -1.26 -2.77 117.46 107.21 2bbu n PHE 50 Ca -0.01 1.16 -0.30 0.00 -0.00 0.00 0.00 57.45 58.29 2bbu n PHE 50 Cb 0.53 -2.18 -0.16 0.00 -0.00 0.00 0.00 39.48 37.67 2bbu n PHE 50 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.76 176.17 2bbu s PHE 51 N -0.25 2.27 0.15 -5.13 -0.12 -1.26 0.24 117.98 113.88 2bbu s PHE 51 Ca -0.03 -0.43 0.07 0.00 -0.05 0.00 0.00 56.93 56.50 2bbu s PHE 51 Cb 0.00 -1.46 -0.04 0.00 -0.63 0.00 0.00 43.02 40.89 2bbu s PHE 51 CO 0.08 -0.03 -0.16 -0.08 -0.05 0.00 0.00 175.22 174.98 2bbu s THR 52 N -0.61 1.62 -0.08 -4.49 -1.32 -0.16 -4.75 115.64 105.85 2bbu s THR 52 Ca 0.10 -1.86 -0.03 0.00 -1.21 0.00 0.00 61.69 58.69 2bbu s THR 52 Cb -0.10 -1.73 0.04 0.00 -1.51 0.00 0.00 72.50 69.20 2bbu s THR 52 CO -0.01 -0.37 0.17 -1.48 -2.21 0.00 0.00 174.62 170.72 2bbu s LEU 53 N -2.62 0.45 0.17 9.08 0.05 -1.25 0.76 118.68 125.32 2bbu s LEU 53 Ca 0.13 0.35 0.08 0.00 0.05 0.00 0.00 54.13 54.74 2bbu s LEU 53 Cb -0.05 0.40 -0.04 0.00 -2.05 0.00 0.00 46.19 44.45 2bbu s LEU 53 CO 0.05 -0.18 -0.06 -0.55 -0.55 0.00 0.00 176.35 175.07 2bbu s SER 54 N 1.50 4.47 0.38 1.48 0.15 -1.19 -3.90 113.70 116.60 2bbu s SER 54 Ca -0.06 -0.49 0.04 0.00 0.70 0.00 0.00 55.95 56.14 2bbu s SER 54 Cb -0.12 -0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 63.30 2bbu s SER 54 CO -0.06 0.10 0.08 0.54 1.20 0.00 0.00 173.24 175.10 2bbu s VAL 55 N -1.67 0.98 -0.04 4.45 0.11 -1.11 -3.62 120.40 119.50 2bbu s VAL 55 Ca 0.26 -2.00 0.06 0.00 -2.93 0.00 0.00 61.98 57.36 2bbu s VAL 55 Cb -0.09 -2.57 -0.02 0.00 -1.53 0.00 0.00 36.38 32.16 2bbu s VAL 55 CO 0.16 0.00 -0.21 -0.75 -3.33 0.00 0.00 175.10 170.97 2bbu s LYS 56 N -3.82 2.36 0.00 1.54 2.47 -1.26 -3.43 119.74 117.60 2bbu s LYS 56 Ca 0.29 -0.83 0.00 0.00 -1.56 0.00 0.00 55.97 53.87 2bbu s LYS 56 Cb 0.06 -2.21 0.00 0.00 -1.46 0.00 0.00 37.83 34.22 2bbu s LYS 56 CO 0.14 0.55 0.00 0.25 0.16 0.00 0.00 175.35 176.45 2bbu n THR 57 N 2.49 0.00 0.07 3.43 -2.24 -1.26 -4.04 114.28 112.73 2bbu n THR 57 Ca -0.17 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.56 2bbu n THR 57 Cb 0.52 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.65 2bbu n THR 57 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2bbu h GLN 58 N 0.00 0.00 0.00 -0.78 1.08 -1.97 -3.46 115.11 109.98 2bbu h GLN 58 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2bbu h GLN 58 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2bbu h GLN 58 CO 0.00 0.92 0.00 0.45 -0.95 0.00 0.00 178.83 179.25 2bbu n SER 59 N -3.33 0.00 -4.34 1.46 2.88 -1.26 -5.09 113.62 103.94 2bbu n SER 59 Ca 0.00 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 2bbu n SER 59 Cb 0.91 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.31 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 2.00 -0.27 0.46 0.00 -1.26 -5.04 107.32 103.22 2bbu s GLY 60 Ca 0.00 -2.39 -0.11 0.00 0.00 0.00 0.00 44.72 42.23 2bbu s GLY 60 CO 0.00 1.28 0.17 -1.08 0.00 0.00 0.00 173.10 173.48 2bbu s THR 61 N 1.90 5.25 0.23 0.90 -1.32 -1.26 -4.50 115.64 116.84 2bbu s THR 61 Ca 0.06 0.15 0.01 0.00 -1.21 0.00 0.00 61.69 60.69 2bbu s THR 61 Cb -0.28 -3.49 -0.04 0.00 -1.51 0.00 0.00 72.50 67.19 2bbu s THR 61 CO 0.04 0.28 0.16 -0.75 -2.21 0.00 0.00 174.62 172.14 2bbu s LYS 62 N 1.55 1.32 0.14 7.08 2.47 -1.22 -4.86 119.74 126.21 2bbu s LYS 62 Ca 0.07 -1.71 0.09 0.00 -1.56 0.00 0.00 55.97 52.86 2bbu s LYS 62 Cb -0.15 0.25 -0.04 0.00 -1.46 0.00 0.00 37.83 36.43 2bbu s LYS 62 CO 0.09 -0.44 -0.21 0.54 0.16 0.00 0.00 175.35 175.49 2bbu s ASN 63 N -3.21 2.84 -0.25 1.43 4.22 -1.26 -2.76 114.94 115.94 2bbu s ASN 63 Ca 0.39 -0.79 -0.05 0.00 -2.14 0.00 0.00 52.86 50.27 2bbu s ASN 63 Cb 0.06 -0.18 -0.00 0.00 1.28 0.00 0.00 41.25 42.41 2bbu s ASN 63 CO 0.15 0.05 0.01 -0.76 -2.04 0.00 0.00 177.10 174.51 2bbu s LEU 64 N -2.34 3.30 0.41 3.54 2.01 -1.25 -4.94 118.68 119.40 2bbu s LEU 64 Ca 0.13 -0.52 -0.16 0.00 0.01 0.00 0.00 54.13 53.59 2bbu s LEU 64 Cb -0.08 -1.80 -0.09 0.00 0.01 0.00 0.00 46.19 44.23 2bbu s LEU 64 CO 0.06 -0.09 0.85 0.00 1.01 0.00 0.00 176.35 178.19 2bbu s ARG 65 N 1.48 4.01 0.23 1.70 1.70 -1.26 -4.57 118.95 122.25 2bbu s ARG 65 Ca 0.04 0.81 -0.21 0.00 -0.47 0.00 0.00 55.73 55.91 2bbu s ARG 65 Cb -0.16 -2.30 -0.08 0.00 -0.57 0.00 0.00 34.95 31.84 2bbu s ARG 65 CO -0.01 -0.02 0.76 0.42 -1.08 0.00 0.00 175.30 175.37 2bbu s ILE 66 N -2.24 4.51 -0.26 4.99 -1.09 -1.26 -4.81 121.20 121.04 2bbu s ILE 66 Ca 0.57 1.38 -0.14 0.00 -2.23 0.00 0.00 60.65 60.23 2bbu s ILE 66 Cb -0.10 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 2bbu s ILE 66 CO 0.21 0.22 0.35 -1.58 -1.23 0.00 0.00 174.94 172.91 2bbu s GLN 67 N -1.93 4.05 -0.29 2.79 0.74 0.75 -4.86 119.66 120.90 2bbu s GLN 67 Ca 0.43 0.02 -0.22 0.00 0.05 0.00 0.00 55.36 55.65 2bbu s GLN 67 Cb -0.17 -3.62 -0.01 0.00 1.10 0.00 0.00 33.01 30.31 2bbu s GLN 67 CO 0.22 -0.20 0.72 0.00 -0.55 0.00 0.00 175.29 175.47 2bbu s GLU 69 N 2.75 0.99 -0.98 0.00 -1.05 -0.53 -4.80 118.70 115.08 2bbu s GLU 69 Ca 0.29 -0.06 -0.04 0.00 -0.15 0.00 0.00 54.97 55.01 2bbu s GLU 69 Cb -0.15 -1.20 0.00 0.00 -0.44 0.00 0.00 34.13 32.35 2bbu s GLU 69 CO 0.11 -0.26 0.85 0.41 0.95 0.00 0.00 175.26 177.31 2bbu n GLY 70 N 4.94 -0.17 2.80 -3.83 0.00 -1.26 -1.54 105.19 106.12 2bbu n GLY 70 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.45 0.60 3.78 -0.02 0.00 -1.26 -4.88 105.19 101.95 2bbu n GLY 71 Ca -0.07 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.24 5.04 -0.16 1.61 1.04 -0.59 -4.53 113.70 113.87 2bbu s SER 72 Ca 0.00 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 55.85 2bbu s SER 72 Cb 0.00 -0.97 -0.02 0.00 0.10 0.00 0.00 66.02 65.13 2bbu s SER 72 CO 0.00 -0.21 -0.06 0.12 0.98 0.00 0.00 173.24 174.06 2bbu s PHE 73 N -2.31 2.96 -0.21 5.02 5.36 -1.21 -1.45 117.98 126.15 2bbu s PHE 73 Ca 0.37 -0.48 -0.18 0.00 -0.96 0.00 0.00 56.93 55.67 2bbu s PHE 73 Cb -0.05 -1.95 0.05 0.00 -0.34 0.00 0.00 43.02 40.73 2bbu s PHE 73 CO 0.24 -0.16 0.54 -1.54 -1.46 0.00 0.00 175.22 172.84 2bbu s SER 74 N 0.54 -0.58 -0.21 6.13 1.04 -0.36 -2.51 113.70 117.74 2bbu s SER 74 Ca -0.05 1.11 -0.19 0.00 0.48 0.00 0.00 55.95 57.30 2bbu s SER 74 Cb -0.15 1.11 -0.16 0.00 0.10 0.00 0.00 66.02 66.92 2bbu s SER 74 CO 0.03 -0.19 0.06 -0.11 0.98 0.00 0.00 173.24 174.01 2bbu n LEU 75 N 2.94 1.87 -3.86 2.42 7.94 -1.26 0.27 117.00 127.32 2bbu n LEU 75 Ca -0.14 0.43 -0.19 0.00 -1.11 0.00 0.00 56.01 54.99 2bbu n LEU 75 Cb 0.56 -0.93 -0.16 0.00 0.53 0.00 0.00 43.42 43.42 2bbu n LEU 75 CO 0.08 0.24 -0.40 -1.10 -1.11 0.00 0.00 177.39 175.11 2bbu s GLN 76 N -2.39 0.65 -0.90 1.96 -0.21 -1.26 -4.51 119.66 113.00 2bbu s GLN 76 Ca -0.29 -0.03 -0.23 0.00 0.02 0.00 0.00 55.36 54.83 2bbu s GLN 76 Cb 0.07 -0.75 -0.20 0.00 1.00 0.00 0.00 33.01 33.13 2bbu s GLN 76 CO 0.53 -0.12 2.08 0.45 -2.12 0.00 0.00 175.29 176.11 2bbu n SER 77 N 4.21 0.99 -4.09 5.90 2.88 -1.26 -4.83 113.62 117.42 2bbu n SER 77 Ca -0.23 -2.07 -0.32 0.00 -1.33 0.00 0.00 58.87 54.91 2bbu n SER 77 Cb 0.51 -1.56 -0.15 0.00 -0.75 0.00 0.00 64.21 62.25 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 7.92 3.92 -1.05 -3.46 -1.08 -1.26 -5.01 116.67 116.65 2bbu s ASP 78 Ca 0.78 -1.10 -0.09 0.00 -0.52 0.00 0.00 52.55 51.63 2bbu s ASP 78 Cb -0.09 -1.52 -0.07 0.00 -1.46 0.00 0.00 42.92 39.78 2bbu s ASP 78 CO 0.16 -0.11 2.25 -0.81 0.52 0.00 0.00 175.17 177.17 2bbu n PRO 79 N 4.51 2.34 0.00 4.34 -0.04 -1.26 -4.59 135.00 140.30 2bbu n PRO 79 Ca -0.17 -1.68 0.04 0.00 -0.04 0.00 0.00 63.50 61.65 2bbu n PRO 79 Cb 0.45 -2.60 0.17 0.00 -0.04 0.00 0.00 33.50 31.48 2bbu n PRO 79 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2bbu n ARG 80 N 4.48 0.02 -1.97 0.54 1.85 -1.26 -4.91 116.66 115.40 2bbu n ARG 80 Ca 0.52 0.34 -0.02 0.00 -1.00 0.00 0.00 57.85 57.69 2bbu n ARG 80 Cb 0.19 -1.50 -0.01 0.00 -1.05 0.00 0.00 32.46 30.09 2bbu n ARG 80 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2bbu n SER 81 N -1.45 -2.49 0.04 2.89 2.88 -1.26 -5.03 113.62 109.20 2bbu n SER 81 Ca 0.02 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2bbu n SER 81 Cb 0.08 -2.80 0.00 0.00 -0.75 0.00 0.00 64.21 60.74 2bbu n SER 81 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2bbu n THR 82 N 0.56 0.00 -3.33 2.46 -2.24 -1.26 -5.09 114.28 105.37 2bbu n THR 82 Ca -0.11 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.47 2bbu n THR 82 Cb 0.17 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.42 2bbu n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bbu n GLN 83 N -2.60 -1.22 0.00 -0.78 6.02 -1.26 -4.96 117.38 112.59 2bbu n GLN 83 Ca 0.00 1.18 0.00 0.00 -0.01 0.00 0.00 57.00 58.17 2bbu n GLN 83 Cb 0.00 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 29.54 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 0.51 0.00 -4.60 -1.09 -0.04 -1.26 -5.01 135.00 123.51 2bbu n PRO 84 Ca -0.04 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.15 2bbu n PRO 84 Cb 0.58 -0.12 -0.11 0.00 -0.04 0.00 0.00 33.50 33.81 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 0.00 1.90 0.17 0.52 0.11 -1.26 -5.07 120.40 116.77 2bbu s VAL 85 Ca 0.00 -2.00 -0.30 0.00 -2.93 0.00 0.00 61.98 56.75 2bbu s VAL 85 Cb 0.00 -2.97 -0.09 0.00 -1.53 0.00 0.00 36.38 31.79 2bbu s VAL 85 CO 0.00 0.00 1.35 -2.16 -3.33 0.00 0.00 175.10 170.96 2bbu s PRO 86 N -3.73 4.35 -1.49 1.54 0.04 -1.26 -2.64 135.00 131.81 2bbu s PRO 86 Ca 0.35 2.09 -0.13 0.00 0.04 0.00 0.00 61.00 63.35 2bbu s PRO 86 Cb 0.10 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 31.50 2bbu s PRO 86 CO 0.18 -0.34 1.00 0.54 0.04 0.00 0.00 177.00 178.42 2bbu n ARG 87 N 3.10 -5.96 -0.77 4.56 1.74 -1.26 -4.96 116.66 113.12 2bbu n ARG 87 Ca 0.08 0.65 -0.16 0.00 -0.77 0.00 0.00 57.85 57.66 2bbu n ARG 87 Cb 0.42 -5.58 0.12 0.00 -1.02 0.00 0.00 32.46 26.41 2bbu n ARG 87 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2bbu n PHE 88 N -4.73 -3.72 -3.70 -1.55 -1.74 -1.08 -4.76 117.46 96.17 2bbu n PHE 88 Ca 0.03 -0.57 -0.39 0.00 -0.56 0.00 0.00 57.45 55.97 2bbu n PHE 88 Cb 0.53 -0.57 -0.12 0.00 1.52 0.00 0.00 39.48 40.84 2bbu n PHE 88 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2bbu s ASP 89 N -3.31 5.42 0.52 5.98 2.15 -1.26 -3.29 116.67 122.88 2bbu s ASP 89 Ca 0.39 -1.02 0.31 0.00 0.43 0.00 0.00 52.55 52.65 2bbu s ASP 89 Cb -0.02 -1.92 1.18 0.00 -0.30 0.00 0.00 42.92 41.85 2bbu s ASP 89 CO 0.28 -0.32 1.92 0.00 -0.17 0.00 0.00 175.17 176.88 2bbu h VAL 91 N 0.00 0.57 -0.37 0.00 2.07 -1.92 0.22 116.25 116.82 2bbu h VAL 91 Ca -0.00 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.40 2bbu h VAL 91 Cb 0.61 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2bbu h VAL 91 CO 0.00 0.08 0.18 -0.07 0.02 0.00 0.00 177.57 177.78 2bbu h LEU 92 N 0.42 0.26 -1.11 2.57 4.07 -1.97 -0.60 115.31 118.94 2bbu h LEU 92 Ca 0.56 0.02 -0.09 0.00 0.08 0.00 0.00 57.88 58.45 2bbu h LEU 92 Cb 1.39 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 43.09 2bbu h LEU 92 CO -0.27 0.19 -0.36 0.11 -1.08 0.00 0.00 178.44 177.03 2bbu h LYS 93 N 0.37 0.15 -0.41 1.13 1.57 -0.89 -2.63 116.57 115.85 2bbu h LYS 93 Ca 0.16 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2bbu h LYS 93 Cb 0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2bbu h LYS 93 CO -0.11 0.50 0.27 -0.07 -0.57 0.00 0.00 179.45 179.47 2bbu h LEU 94 N 0.13 0.42 -1.28 2.94 -0.00 0.55 -1.95 115.31 116.13 2bbu h LEU 94 Ca 0.01 -0.01 0.16 0.00 -0.00 0.00 0.00 57.88 58.04 2bbu h LEU 94 Cb 0.70 -0.10 -0.07 0.00 -0.00 0.00 0.00 40.66 41.19 2bbu h LEU 94 CO 0.05 0.30 0.58 -0.37 -0.00 0.00 0.00 178.44 179.00 2bbu h VAL 95 N 0.49 0.80 -0.29 1.22 -1.51 -0.95 1.72 116.25 117.74 2bbu h VAL 95 Ca 0.16 -0.23 0.06 0.00 -1.23 0.00 0.00 66.70 65.46 2bbu h VAL 95 Cb 0.04 0.08 -0.06 0.00 -2.13 0.00 0.00 31.29 29.22 2bbu h VAL 95 CO -0.04 0.12 -0.10 0.45 -1.23 0.00 0.00 177.57 176.78 2bbu h HIS 96 N 0.67 -0.23 0.10 5.19 3.86 -1.51 0.65 115.15 123.88 2bbu h HIS 96 Ca 0.47 0.03 -0.27 0.00 -1.16 0.00 0.00 60.37 59.43 2bbu h HIS 96 Cb 0.80 0.14 0.01 0.00 1.06 0.00 0.00 27.41 29.42 2bbu h HIS 96 CO -0.00 -0.16 -1.19 1.25 0.86 0.00 0.00 177.93 178.69 2bbu h HIS 97 N -0.04 0.71 0.00 2.45 6.17 -1.12 0.66 115.15 123.98 2bbu h HIS 97 Ca 0.14 -0.46 0.00 0.00 0.71 0.00 0.00 60.37 60.76 2bbu h HIS 97 Cb 0.26 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.14 2bbu h HIS 97 CO -0.30 1.32 0.00 0.66 0.71 0.00 0.00 177.93 180.32 2bbu n TYR 98 N -3.68 0.33 0.00 5.26 4.01 0.57 -4.17 117.16 119.48 2bbu n TYR 98 Ca -0.10 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2bbu n TYR 98 Cb 0.97 -0.74 0.00 0.00 -0.31 0.00 0.00 39.34 39.26 2bbu n TYR 98 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 2bbu n MET 99 N -1.82 0.00 -2.24 -0.72 1.56 0.22 -4.47 117.12 109.65 2bbu n MET 99 Ca 0.01 0.00 -0.43 0.00 -0.27 0.00 0.00 57.70 57.01 2bbu n MET 99 Cb 0.11 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.45 2bbu n MET 99 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 2bbu s PRO 100 N 0.00 3.63 0.28 2.12 0.04 0.23 -4.66 135.00 136.65 2bbu s PRO 100 Ca 0.00 1.24 0.11 0.00 0.04 0.00 0.00 61.00 62.39 2bbu s PRO 100 Cb 0.00 -4.03 0.38 0.00 0.04 0.00 0.00 34.50 30.89 2bbu s PRO 100 CO 0.00 -1.49 1.63 -1.00 0.04 0.00 0.00 177.00 176.18 2bbu h PRO 101 N 10.88 0.00 -6.04 0.56 0.13 -1.84 -3.41 132.00 132.28 2bbu h PRO 101 Ca -0.30 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.35 2bbu h PRO 101 Cb 1.13 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.19 2bbu h PRO 101 CO 1.05 0.60 1.16 -1.25 -0.23 0.00 0.00 178.00 179.32 2bbu s PRO 102 N -3.63 2.96 0.57 1.56 0.04 -1.26 -4.81 135.00 130.43 2bbu s PRO 102 Ca -0.01 -0.21 0.40 0.00 0.04 0.00 0.00 61.00 61.21 2bbu s PRO 102 Cb 0.13 -4.72 1.51 0.00 0.04 0.00 0.00 34.50 31.46 2bbu s PRO 102 CO 0.76 -2.63 1.63 0.78 0.04 0.00 0.00 177.00 177.57 2bbu h GLY 103 N 15.14 0.00 0.00 0.56 0.00 -2.02 -3.42 103.07 113.34 2bbu h GLY 103 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2bbu h GLY 103 CO 1.28 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 176.52 2bbu n THR 104 N -3.87 0.00 -0.49 4.70 -2.24 -1.26 -4.75 114.28 106.37 2bbu n THR 104 Ca 0.31 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 2bbu n THR 104 Cb 1.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 2bbu n THR 104 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2bbu n PRO 105 N -3.01 -0.37 0.00 -0.78 -0.04 -1.26 -4.16 135.00 125.38 2bbu n PRO 105 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2bbu n PRO 105 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -2.36 0.00 -3.95 3.54 2.88 -1.26 -4.71 113.62 107.77 2bbu n SER 106 Ca 0.00 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.22 2bbu n SER 106 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2bbu n SER 106 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 2bbu n PHE 107 N 0.00 -0.95 -1.29 0.66 1.16 -1.26 -4.20 117.46 111.57 2bbu n PHE 107 Ca 0.00 0.11 0.00 0.00 -1.87 0.00 0.00 57.45 55.69 2bbu n PHE 107 Cb 0.00 -1.96 0.00 0.00 -1.61 0.00 0.00 39.48 35.91 2bbu n PHE 107 CO 0.00 0.00 0.00 0.43 -1.87 0.00 0.00 176.76 175.32 2bbu n SER 108 N -1.38 -7.16 -4.68 5.98 7.64 -1.26 -4.76 113.62 107.99 2bbu n SER 108 Ca -0.11 1.07 -0.42 0.00 1.01 0.00 0.00 58.87 60.41 2bbu n SER 108 Cb 0.42 -3.75 -0.03 0.00 -1.01 0.00 0.00 64.21 59.84 2bbu n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bbu s LEU 109 N -3.36 4.27 0.26 -3.43 1.02 -1.26 -4.98 118.68 111.20 2bbu s LEU 109 Ca 0.00 1.86 -0.29 0.00 0.02 0.00 0.00 54.13 55.72 2bbu s LEU 109 Cb 0.00 -3.55 -0.09 0.00 0.02 0.00 0.00 46.19 42.56 2bbu s LEU 109 CO 0.00 -0.66 1.15 -2.16 0.02 0.00 0.00 176.35 174.70 2bbu s PRO 110 N 2.58 4.57 0.08 1.29 0.04 -1.26 -4.96 135.00 137.35 2bbu s PRO 110 Ca 0.58 1.87 -0.15 0.00 0.04 0.00 0.00 61.00 63.34 2bbu s PRO 110 Cb -0.26 -3.19 -0.16 0.00 0.04 0.00 0.00 34.50 30.94 2bbu s PRO 110 CO 0.21 0.09 1.29 -1.00 0.04 0.00 0.00 177.00 177.63 2bbu h PRO 111 N 4.13 0.69 0.00 0.56 0.13 -2.01 -3.49 132.00 132.00 2bbu h PRO 111 Ca -0.46 -0.54 0.00 0.00 -0.87 0.00 0.00 66.00 64.13 2bbu h PRO 111 Cb 1.21 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2bbu h PRO 111 CO 0.69 1.16 0.00 -2.37 -0.23 0.00 0.00 178.00 177.24 2bbu n THR 112 N -4.08 0.00 -4.04 1.56 5.66 -1.26 -5.12 114.28 107.00 2bbu n THR 112 Ca -0.07 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.60 2bbu n THR 112 Cb 0.66 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.30 2bbu n THR 112 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2bbu s GLU 113 N 2.77 2.30 -0.65 1.09 2.56 -1.26 -5.00 118.70 120.51 2bbu s GLU 113 Ca 0.00 -1.32 -0.05 0.00 0.00 0.00 0.00 54.97 53.60 2bbu s GLU 113 Cb 0.00 -2.94 -0.10 0.00 2.00 0.00 0.00 34.13 33.09 2bbu s GLU 113 CO 0.00 -0.57 2.36 -0.35 -0.56 0.00 0.00 175.26 176.14 2bbu n PRO 114 N 4.48 1.97 -3.13 4.30 -0.04 -1.26 -4.71 135.00 136.61 2bbu n PRO 114 Ca -0.14 -1.24 -0.01 0.00 -0.04 0.00 0.00 63.50 62.08 2bbu n PRO 114 Cb 0.42 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2bbu n PRO 114 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2bbu n SER 115 N 3.56 -6.75 -4.00 3.54 3.41 -1.26 -4.94 113.62 107.17 2bbu n SER 115 Ca 0.42 0.53 -0.31 0.00 -0.26 0.00 0.00 58.87 59.25 2bbu n SER 115 Cb 0.31 -2.10 -0.15 0.00 -0.26 0.00 0.00 64.21 62.02 2bbu n SER 115 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2bbu s SER 116 N -1.10 4.50 0.00 4.04 0.01 -1.26 -4.97 113.70 114.92 2bbu s SER 116 Ca 0.01 -1.77 0.00 0.00 1.31 0.00 0.00 55.95 55.50 2bbu s SER 116 Cb -0.00 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.74 2bbu s SER 116 CO 0.12 -0.31 0.00 -0.62 0.41 0.00 0.00 173.24 172.85 2bbu n GLU 117 N 4.40 0.00 -4.12 12.44 -0.58 -1.26 -4.52 120.64 127.00 2bbu n GLU 117 Ca -0.04 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.62 2bbu n GLU 117 Cb 0.42 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.19 2bbu n GLU 117 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2bbu s VAL 118 N 0.00 0.34 -0.71 2.62 -7.23 -1.26 -5.03 120.40 109.13 2bbu s VAL 118 Ca 0.00 -1.86 -0.06 0.00 -1.81 0.00 0.00 61.98 58.26 2bbu s VAL 118 Cb 0.00 -1.63 -0.10 0.00 0.56 0.00 0.00 36.38 35.21 2bbu s VAL 118 CO 0.00 -0.90 2.37 -0.81 -0.31 0.00 0.00 175.10 175.45 2bbu n PRO 119 N 0.04 2.05 -0.50 4.82 -0.04 -1.26 -4.82 135.00 135.29 2bbu n PRO 119 Ca -0.12 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.04 2bbu n PRO 119 Cb 0.61 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 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 3.61 2.90 -2.77 0.54 -0.58 -1.26 -5.08 120.64 118.01 2bbu n GLU 120 Ca 0.44 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 57.05 2bbu n GLU 120 Cb 0.30 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.18 2bbu n GLU 120 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2bbu n GLN 121 N -0.15 1.30 -2.28 3.49 7.27 -1.26 -5.07 117.38 120.69 2bbu n GLN 121 Ca 0.00 -3.40 -0.43 0.00 0.07 0.00 0.00 57.00 53.25 2bbu n GLN 121 Cb 0.00 -1.43 -0.02 0.00 2.41 0.00 0.00 30.24 31.20 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 -3.01 3.76 -0.05 3.69 0.04 -1.26 -4.91 135.00 133.26 2bbu s PRO 122 Ca 0.32 1.33 -0.20 0.00 0.04 0.00 0.00 61.00 62.49 2bbu s PRO 122 Cb 0.43 -3.98 -0.15 0.00 0.04 0.00 0.00 34.50 30.84 2bbu s PRO 122 CO -0.00 -1.32 0.82 -1.00 0.04 0.00 0.00 177.00 175.54 2bbu h PRO 123 N 10.31 -0.23 -6.69 0.56 0.13 -2.06 -3.48 132.00 130.53 2bbu h PRO 123 Ca -0.29 0.02 -0.51 0.00 -0.87 0.00 0.00 66.00 64.34 2bbu h PRO 123 Cb 1.12 0.05 0.01 0.00 0.13 0.00 0.00 31.00 32.31 2bbu h PRO 123 CO 1.03 0.18 -0.98 0.00 -0.23 0.00 0.00 178.00 178.00 2bbu n ALA 124 N -2.59 -2.67 0.00 -0.56 0.00 -1.26 -4.85 120.51 108.59 2bbu n ALA 124 Ca -0.07 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.96 2bbu n ALA 124 Cb 0.26 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.56 2bbu n ALA 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2bbu n GLN 125 N -3.94 0.00 -0.20 0.00 1.13 -1.26 -4.72 117.38 108.38 2bbu n GLN 125 Ca -0.17 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 54.89 2bbu n GLN 125 Cb 0.61 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.97 2bbu n GLN 125 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2bbu n ALA 126 N 0.00 1.60 0.00 -1.58 0.00 -1.26 -4.88 120.51 114.39 2bbu n ALA 126 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.50 2bbu n ALA 126 Cb 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2bbu n ALA 126 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2bbu n LEU 127 N -0.18 0.00 0.01 0.00 4.77 -1.26 -4.96 117.00 115.38 2bbu n LEU 127 Ca 0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.86 2bbu n LEU 127 Cb 0.57 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 2bbu n LEU 127 CO 0.00 0.00 0.34 1.55 -1.33 0.00 0.00 177.39 177.96 2bbu h PRO 128 N 0.00 0.62 0.00 3.23 0.13 -1.96 -3.44 132.00 130.57 2bbu h PRO 128 Ca 0.00 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2bbu h PRO 128 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 2bbu h PRO 128 CO 0.00 1.10 0.00 0.41 -0.23 0.00 0.00 178.00 179.28 2bbu n GLY 129 N 0.55 -0.38 3.51 1.56 0.00 -1.26 -4.94 105.19 104.23 2bbu n GLY 129 Ca -0.05 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.20 2bbu n GLY 129 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bbu s SER 130 N -1.31 6.26 0.08 1.61 1.04 -1.26 -4.93 113.70 115.18 2bbu s SER 130 Ca 0.00 -0.41 -0.31 0.00 0.48 0.00 0.00 55.95 55.71 2bbu s SER 130 Cb 0.00 -2.26 -0.18 0.00 0.10 0.00 0.00 66.02 63.68 2bbu s SER 130 CO 0.00 -0.60 1.65 0.74 0.98 0.00 0.00 173.24 176.01 2bbu h THR 131 N 5.73 0.49 -3.00 2.02 2.02 -1.92 -3.44 112.91 114.82 2bbu h THR 131 Ca -0.27 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 66.62 2bbu h THR 131 Cb 1.11 0.49 0.14 0.00 -1.74 0.00 0.00 68.15 68.15 2bbu h THR 131 CO 0.81 0.00 0.16 -0.81 0.37 0.00 0.00 175.52 176.05 2bbu n PRO 132 N -5.39 -2.02 0.00 6.66 -0.04 -1.26 -5.05 135.00 127.89 2bbu n PRO 132 Ca -0.12 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.01 2bbu n PRO 132 Cb 0.29 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 -3.62 0.00 -0.63 0.54 4.81 -1.26 -5.10 118.16 112.90 2bbu n LYS 133 Ca 0.11 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.36 2bbu n LYS 133 Cb 0.42 0.00 0.12 0.00 0.02 0.00 0.00 35.03 35.59 2bbu n LYS 133 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2bbu n ARG 134 N 0.00 -1.62 0.00 1.64 3.00 -1.26 -5.02 116.66 113.39 2bbu n ARG 134 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 57.85 57.36 2bbu n ARG 134 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 31.08 2bbu n ARG 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bbu n ALA 135 N -4.11 0.00 -2.73 7.54 0.00 -1.26 -5.07 120.51 114.88 2bbu n ALA 135 Ca 0.03 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 2bbu n ALA 135 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.80 3.27 -0.00 0.00 5.04 0.59 -4.92 117.35 119.52 2bbu s TYR 136 Ca 0.00 -0.12 -0.18 0.00 -2.44 0.00 0.00 57.07 54.33 2bbu s TYR 136 Cb 0.00 -1.75 0.03 0.00 0.35 0.00 0.00 41.96 40.60 2bbu s TYR 136 CO 0.00 0.24 0.40 -0.47 -1.34 0.00 0.00 175.55 174.38 2bbu s TYR 137 N -2.08 -0.28 -0.07 4.97 6.14 -1.25 0.73 117.35 125.52 2bbu s TYR 137 Ca 0.39 0.38 -0.03 0.00 0.64 0.00 0.00 57.07 58.45 2bbu s TYR 137 Cb -0.09 0.18 0.04 0.00 0.42 0.00 0.00 41.96 42.51 2bbu s TYR 137 CO 0.30 -0.48 0.12 0.42 0.64 0.00 0.00 175.55 176.55 2bbu s ILE 138 N -1.70 -0.20 -0.51 3.14 1.01 -1.11 -4.92 121.20 116.92 2bbu s ILE 138 Ca -0.10 0.37 -0.26 0.00 0.00 0.00 0.00 60.65 60.66 2bbu s ILE 138 Cb -0.03 -0.24 0.03 0.00 0.01 0.00 0.00 42.46 42.24 2bbu s ILE 138 CO 0.03 0.16 1.00 -0.31 0.00 0.00 0.00 174.94 175.81 2bbu s TYR 139 N 2.19 2.81 -0.98 3.97 2.02 -1.26 -2.82 117.35 123.28 2bbu s TYR 139 Ca 0.03 0.29 -0.16 0.00 -0.37 0.00 0.00 57.07 56.86 2bbu s TYR 139 Cb -0.12 -4.15 -0.09 0.00 -0.40 0.00 0.00 41.96 37.20 2bbu s TYR 139 CO -0.05 -1.29 2.09 0.45 -1.57 0.00 0.00 175.55 175.18 2bbu n SER 140 N 7.56 3.71 -2.99 2.29 2.88 0.79 -4.59 113.62 123.27 2bbu n SER 140 Ca 0.06 -2.61 -0.02 0.00 -1.33 0.00 0.00 58.87 54.96 2bbu n SER 140 Cb 0.48 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 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 4.21 -1.86 3.14 0.46 0.00 -1.26 -2.59 105.19 107.29 2bbu n GLY 141 Ca 0.51 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 0.92 0.58 3.14 -0.02 0.00 -1.26 -4.96 105.19 103.58 2bbu n GLY 142 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2bbu n GLY 142 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bbu s GLU 143 N -0.43 2.99 -0.48 1.61 2.02 -1.07 -5.08 118.70 118.27 2bbu s GLU 143 Ca 0.00 -0.84 -0.17 0.00 0.02 0.00 0.00 54.97 53.99 2bbu s GLU 143 Cb 0.00 -2.52 0.06 0.00 0.10 0.00 0.00 34.13 31.78 2bbu s GLU 143 CO 0.00 -0.14 0.46 0.21 0.02 0.00 0.00 175.26 175.81 2bbu s LYS 144 N 1.12 3.02 -0.23 1.61 2.20 -1.26 0.28 119.74 126.48 2bbu s LYS 144 Ca 0.01 -1.18 -0.03 0.00 -0.36 0.00 0.00 55.97 54.40 2bbu s LYS 144 Cb -0.14 -4.11 -0.00 0.00 -1.51 0.00 0.00 37.83 32.07 2bbu s LYS 144 CO -0.09 -1.06 -0.05 0.42 -0.36 0.00 0.00 175.35 174.21 2bbu s ILE 145 N 1.94 3.25 -0.01 5.43 1.09 -1.13 -4.97 121.20 126.81 2bbu s ILE 145 Ca 0.08 -0.61 -0.30 0.00 -1.10 0.00 0.00 60.65 58.72 2bbu s ILE 145 Cb -0.22 -2.51 -0.04 0.00 -1.06 0.00 0.00 42.46 38.63 2bbu s ILE 145 CO 0.09 0.38 1.19 -2.16 -0.10 0.00 0.00 174.94 174.34 2bbu s PRO 146 N 1.45 4.39 -0.05 2.79 0.04 -1.26 -2.74 135.00 139.61 2bbu s PRO 146 Ca 0.05 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.83 2bbu s PRO 146 Cb -0.15 -3.48 -0.00 0.00 0.04 0.00 0.00 34.50 30.91 2bbu s PRO 146 CO -0.04 -0.36 -0.17 -0.48 0.04 0.00 0.00 177.00 175.99 2bbu s LEU 147 N 1.74 1.90 -0.18 -3.56 2.34 0.22 -4.78 118.68 116.36 2bbu s LEU 147 Ca 0.57 -0.37 0.01 0.00 0.06 0.00 0.00 54.13 54.40 2bbu s LEU 147 Cb -0.26 -1.00 0.02 0.00 -0.56 0.00 0.00 46.19 44.39 2bbu s LEU 147 CO 0.25 0.14 -0.18 0.54 -1.06 0.00 0.00 176.35 176.04 2bbu s VAL 148 N 0.12 1.99 0.48 1.48 0.11 -1.26 0.22 120.40 123.54 2bbu s VAL 148 Ca -0.06 -0.97 -0.20 0.00 -2.93 0.00 0.00 61.98 57.82 2bbu s VAL 148 Cb -0.13 -1.85 -0.09 0.00 -1.53 0.00 0.00 36.38 32.79 2bbu s VAL 148 CO 0.03 0.46 1.02 -0.76 -3.33 0.00 0.00 175.10 172.52 2bbu s LEU 149 N 1.30 3.83 0.00 2.54 1.02 -1.26 -4.90 118.68 121.21 2bbu s LEU 149 Ca 0.03 1.84 0.00 0.00 0.02 0.00 0.00 54.13 56.03 2bbu s LEU 149 Cb -0.14 -4.55 0.00 0.00 0.02 0.00 0.00 46.19 41.52 2bbu s LEU 149 CO -0.12 -0.70 0.00 -0.24 0.02 0.00 0.00 176.35 175.31 2bbu n SER 150 N -1.01 0.00 -4.53 2.29 2.88 -1.26 -3.21 113.62 108.77 2bbu n SER 150 Ca 0.09 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.27 2bbu n SER 150 Cb 0.53 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 2bbu n SER 150 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2bbu s ARG 151 N -1.00 3.81 0.40 -1.46 0.52 -1.26 -4.96 118.95 114.99 2bbu s ARG 151 Ca 0.00 -0.41 -0.23 0.00 -0.52 0.00 0.00 55.73 54.56 2bbu s ARG 151 Cb 0.00 -3.29 -0.10 0.00 0.52 0.00 0.00 34.95 32.08 2bbu s ARG 151 CO 0.00 0.01 0.98 -1.25 0.02 0.00 0.00 175.30 175.06 2bbu s PRO 152 N 1.09 4.27 -0.33 3.54 0.04 -1.26 -0.52 135.00 141.83 2bbu s PRO 152 Ca 0.04 1.31 -0.19 0.00 0.04 0.00 0.00 61.00 62.20 2bbu s PRO 152 Cb -0.14 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 2bbu s PRO 152 CO 0.03 -0.01 0.57 -1.17 0.04 0.00 0.00 177.00 176.46 2bbu s LEU 153 N -2.74 4.25 0.10 -3.56 2.96 0.78 -4.59 118.68 115.88 2bbu s LEU 153 Ca 0.58 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.66 2bbu s LEU 153 Cb -0.16 -2.69 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 2bbu s LEU 153 CO 0.21 -0.49 0.24 -0.94 -1.32 0.00 0.00 176.35 174.05 2bbu s SER 154 N 1.73 6.35 -0.23 3.68 1.04 -1.26 -4.69 113.70 120.31 2bbu s SER 154 Ca 0.22 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.76 2bbu s SER 154 Cb -0.15 -1.94 -0.17 0.00 0.10 0.00 0.00 66.02 63.86 2bbu s SER 154 CO 0.13 0.12 -0.08 -0.24 0.98 0.00 0.00 173.24 174.15 2bbu n SER 155 N -0.04 1.96 0.00 7.02 2.88 -1.26 -5.11 113.62 119.06 2bbu n SER 155 Ca -0.06 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.73 2bbu n SER 155 Cb 0.52 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 2bbu n SER 155 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40