#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 -0.20 -0.89 -1.84 3.20 -1.97 -0.94 116.97 114.34 2bbu h TYR 2 Ca 0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2bbu h TYR 2 Cb 0.00 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2bbu h TYR 2 CO 0.00 0.14 0.52 1.96 -1.64 0.00 0.00 178.16 179.14 2bbu h GLN 3 N -0.56 1.22 -0.15 1.82 1.08 -1.97 0.26 115.11 116.80 2bbu h GLN 3 Ca -0.02 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.03 2bbu h GLN 3 Cb 0.43 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.60 2bbu h GLN 3 CO 0.04 0.86 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.68 2bbu h LEU 4 N 1.23 0.29 -0.08 1.46 3.38 -1.98 0.82 115.31 120.43 2bbu h LEU 4 Ca 0.32 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2bbu h LEU 4 Cb -0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 2bbu h LEU 4 CO -0.06 0.57 -0.08 1.62 0.09 0.00 0.00 178.44 180.59 2bbu h VAL 5 N 0.00 1.36 -0.78 1.22 3.04 -0.95 -2.60 116.25 117.54 2bbu h VAL 5 Ca 0.04 -1.21 -0.02 0.00 -1.01 0.00 0.00 66.70 64.50 2bbu h VAL 5 Cb 0.44 1.98 -0.04 0.00 -2.01 0.00 0.00 31.29 31.67 2bbu h VAL 5 CO 0.01 0.34 0.41 0.58 -1.01 0.00 0.00 177.57 177.90 2bbu h VAL 6 N -0.22 1.24 -0.87 1.51 2.07 -0.53 -2.36 116.25 117.09 2bbu h VAL 6 Ca 0.01 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.95 2bbu h VAL 6 Cb 0.58 0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2bbu h VAL 6 CO 0.02 0.27 0.57 -1.13 0.02 0.00 0.00 177.57 177.31 2bbu h ASN 7 N 1.09 0.95 -0.52 0.57 -1.24 -0.81 -1.91 115.58 113.71 2bbu h ASN 7 Ca 0.27 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 2bbu h ASN 7 Cb 0.06 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 2bbu h ASN 7 CO -0.04 0.66 0.26 0.00 -1.29 0.00 0.00 177.43 177.02 2bbu h ALA 8 N 1.35 0.66 -0.99 1.57 0.00 -1.03 -2.13 119.26 118.69 2bbu h ALA 8 Ca 0.34 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.20 2bbu h ALA 8 Cb -0.02 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 2bbu h ALA 8 CO -0.11 0.21 0.64 0.28 0.00 0.00 0.00 179.25 180.27 2bbu h VAL 9 N 0.69 1.10 -0.46 0.00 2.07 -0.93 0.59 116.25 119.30 2bbu h VAL 9 Ca 0.18 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.35 2bbu h VAL 9 Cb 0.09 -0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 29.62 2bbu h VAL 9 CO -0.03 0.22 0.17 -0.09 0.02 0.00 0.00 177.57 177.85 2bbu h ARG 10 N 1.18 0.33 0.02 1.57 1.12 -0.70 0.83 114.38 118.74 2bbu h ARG 10 Ca 0.42 -0.02 -0.21 0.00 -1.11 0.00 0.00 59.98 59.06 2bbu h ARG 10 Cb 0.14 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.02 2bbu h ARG 10 CO -0.16 0.22 -0.95 0.87 -3.11 0.00 0.00 179.97 176.84 2bbu h LYS 11 N 0.34 0.19 -0.56 0.20 1.79 -1.04 -3.05 116.57 114.43 2bbu h LYS 11 Ca 0.21 -0.23 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2bbu h LYS 11 Cb 0.21 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 2bbu h LYS 11 CO -0.22 1.00 0.29 -0.07 -1.08 0.00 0.00 179.45 179.38 2bbu h LEU 12 N 0.09 0.71 -0.85 2.94 3.38 0.90 -2.25 115.31 120.23 2bbu h LEU 12 Ca -0.05 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.71 2bbu h LEU 12 Cb 1.61 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 2bbu h LEU 12 CO 0.14 0.62 -0.21 1.56 0.09 0.00 0.00 178.44 180.64 2bbu h GLN 13 N 0.75 0.62 -0.74 1.13 4.20 -0.90 -2.48 115.11 117.69 2bbu h GLN 13 Ca 0.20 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2bbu h GLN 13 Cb 0.08 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 2bbu h GLN 13 CO -0.03 0.79 0.27 1.49 -0.67 0.00 0.00 178.83 180.68 2bbu h GLU 14 N 0.55 1.11 -0.33 1.46 4.81 -1.35 -2.80 114.58 118.02 2bbu h GLU 14 Ca 0.08 -0.21 -0.16 0.00 -0.13 0.00 0.00 59.36 58.94 2bbu h GLU 14 Cb 0.66 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 2bbu h GLU 14 CO 0.05 0.92 -0.42 0.66 -0.73 0.00 0.00 179.01 179.48 2bbu h SER 15 N 1.08 0.89 0.00 1.04 4.64 -1.22 -3.47 113.55 116.51 2bbu h SER 15 Ca 0.24 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2bbu h SER 15 Cb 0.24 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2bbu h SER 15 CO -0.02 1.19 0.00 0.61 -0.87 0.00 0.00 176.83 177.74 2bbu n GLY 16 N 0.14 0.92 1.62 -0.77 0.00 -0.95 -4.97 105.19 101.18 2bbu n GLY 16 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 2bbu n GLY 16 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2bbu n PHE 17 N -0.56 1.72 -5.18 1.61 -0.00 -1.13 -3.31 117.46 110.59 2bbu n PHE 17 Ca 0.00 -0.73 -0.30 0.00 -0.00 0.00 0.00 57.45 56.42 2bbu n PHE 17 Cb 0.00 -0.48 -0.16 0.00 -0.00 0.00 0.00 39.48 38.84 2bbu n PHE 17 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.76 176.29 2bbu s TYR 18 N -2.36 2.27 0.05 -5.13 6.14 -1.22 -4.43 117.35 112.68 2bbu s TYR 18 Ca 0.41 -0.64 0.02 0.00 0.64 0.00 0.00 57.07 57.51 2bbu s TYR 18 Cb 0.32 -1.49 -0.04 0.00 0.42 0.00 0.00 41.96 41.17 2bbu s TYR 18 CO 0.11 -0.18 0.09 -1.58 0.64 0.00 0.00 175.55 174.63 2bbu s TRP 19 N -0.19 3.25 0.00 4.97 0.52 -0.03 -4.83 118.94 122.63 2bbu s TRP 19 Ca -0.02 0.13 0.00 0.00 0.02 0.00 0.00 56.10 56.23 2bbu s TRP 19 Cb -0.13 -1.67 0.00 0.00 -1.15 0.00 0.00 33.47 30.53 2bbu s TRP 19 CO 0.03 0.54 0.00 0.43 0.02 0.00 0.00 176.95 177.96 2bbu n SER 20 N 0.66 0.00 0.00 2.95 7.64 -1.26 -4.39 113.62 119.22 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 -1.79 0.00 -1.00 -0.43 0.00 -1.26 -3.77 120.51 112.26 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 -2.39 0.00 0.31 -1.26 -4.78 118.33 110.21 2bbu n VAL 22 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.08 2bbu n VAL 22 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 2bbu n VAL 22 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2bbu s THR 23 N 0.00 2.16 0.00 2.52 -4.23 -1.26 -4.74 115.64 110.08 2bbu s THR 23 Ca 0.00 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 2bbu s THR 23 Cb 0.00 -2.74 0.00 0.00 1.34 0.00 0.00 72.50 71.10 2bbu s THR 23 CO 0.00 0.00 0.41 0.61 -0.54 0.00 0.00 174.62 175.10 2bbu n GLY 24 N -3.03 -3.01 0.07 3.99 0.00 -1.22 -1.91 105.19 100.09 2bbu n GLY 24 Ca 0.14 0.52 -0.09 0.00 0.00 0.00 0.00 46.02 46.58 2bbu n GLY 24 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bbu h GLY 25 N 0.00 0.07 1.80 -0.02 0.00 -1.95 -3.29 103.07 99.68 2bbu h GLY 25 Ca 0.00 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.17 2bbu h GLY 25 CO 0.00 0.16 0.08 -2.09 0.00 0.00 0.00 176.54 174.69 2bbu h GLU 26 N 0.02 0.00 0.01 4.80 4.57 -1.94 0.29 114.58 122.32 2bbu h GLU 26 Ca -0.04 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.09 2bbu h GLU 26 Cb 1.81 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.40 2bbu h GLU 26 CO 0.15 0.00 -0.21 0.00 -1.18 0.00 0.00 179.01 177.76 2bbu h ALA 27 N 1.90 0.01 -0.01 2.92 0.00 -1.44 -2.73 119.26 119.90 2bbu h ALA 27 Ca 0.03 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2bbu h ALA 27 Cb 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2bbu h ALA 27 CO -0.00 0.07 -0.02 -0.91 0.00 0.00 0.00 179.25 178.39 2bbu h ASN 28 N -0.64 0.04 -0.06 0.00 2.35 -1.52 -3.25 115.58 112.49 2bbu h ASN 28 Ca -0.03 -0.53 -0.02 0.00 -0.55 0.00 0.00 56.30 55.17 2bbu h ASN 28 Cb 1.04 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.39 2bbu h ASN 28 CO 0.04 0.56 -0.01 -0.07 -1.65 0.00 0.00 177.43 176.31 2bbu h LEU 29 N -0.48 0.18 -1.49 1.61 4.07 -0.60 -2.55 115.31 116.05 2bbu h LEU 29 Ca 0.00 -0.02 0.12 0.00 0.08 0.00 0.00 57.88 58.07 2bbu h LEU 29 Cb 0.55 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.20 2bbu h LEU 29 CO 0.00 0.23 0.50 0.17 -1.08 0.00 0.00 178.44 178.26 2bbu h LEU 30 N 0.20 0.49 0.15 1.67 8.10 -1.52 1.36 115.31 125.77 2bbu h LEU 30 Ca 0.05 0.02 -0.30 0.00 0.11 0.00 0.00 57.88 57.76 2bbu h LEU 30 Cb 0.15 -0.08 0.01 0.00 -0.44 0.00 0.00 40.66 40.30 2bbu h LEU 30 CO 0.00 0.27 -1.37 0.25 -4.11 0.00 0.00 178.44 173.48 2bbu h LEU 31 N 0.54 0.50 -0.82 0.17 6.46 -1.60 -2.71 115.31 117.85 2bbu h LEU 31 Ca 0.36 -0.57 -0.12 0.00 -0.12 0.00 0.00 57.88 57.43 2bbu h LEU 31 Cb 0.66 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.42 2bbu h LEU 31 CO -0.13 1.46 -0.48 0.28 -0.62 0.00 0.00 178.44 178.95 2bbu h SER 32 N 0.09 0.29 1.82 1.25 0.02 -0.80 0.91 113.55 117.13 2bbu h SER 32 Ca -0.19 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 60.60 2bbu h SER 32 Cb 2.02 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 64.48 2bbu h SER 32 CO 0.21 0.73 -0.18 0.00 -1.14 0.00 0.00 176.83 176.44 2bbu h ALA 33 N 1.29 0.90 -2.03 3.77 0.00 0.17 -3.36 119.26 119.99 2bbu h ALA 33 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2bbu h ALA 33 Cb 0.92 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2bbu h ALA 33 CO 0.08 0.13 0.00 0.39 0.00 0.00 0.00 179.25 179.85 2bbu n GLU 34 N -3.09 0.00 -0.92 0.00 1.02 -1.02 -4.77 120.64 111.86 2bbu n GLU 34 Ca 0.03 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.89 2bbu n GLU 34 Cb 0.57 -0.05 -0.02 0.00 -0.02 0.00 0.00 31.44 31.92 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 -1.59 2.35 -1.57 3.49 -0.04 0.30 -4.93 135.00 133.01 2bbu n PRO 35 Ca 0.00 -1.67 -0.44 0.00 -0.04 0.00 0.00 63.50 61.35 2bbu n PRO 35 Cb 0.00 -2.59 -0.01 0.00 -0.04 0.00 0.00 33.50 30.86 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 4.47 -0.38 -0.53 0.55 0.00 -1.17 -2.05 120.51 121.40 2bbu n ALA 36 Ca 0.51 0.34 0.00 0.00 0.00 0.00 0.00 53.44 54.30 2bbu n ALA 36 Cb 0.18 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.64 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 1.30 0.71 3.09 0.00 0.00 -1.26 -4.99 105.19 104.03 2bbu n GLY 37 Ca 0.10 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 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 0.84 -0.02 2.61 2.01 -0.87 0.81 115.64 119.03 2bbu s THR 38 Ca 0.00 -0.90 0.05 0.00 0.31 0.00 0.00 61.69 61.15 2bbu s THR 38 Cb 0.00 -0.79 -0.01 0.00 0.01 0.00 0.00 72.50 71.71 2bbu s THR 38 CO 0.00 -0.09 -0.17 0.72 -0.69 0.00 0.00 174.62 174.39 2bbu s PHE 39 N -0.89 1.54 0.16 4.92 -0.12 0.19 -4.29 117.98 119.49 2bbu s PHE 39 Ca -0.02 -0.33 0.04 0.00 -0.05 0.00 0.00 56.93 56.58 2bbu s PHE 39 Cb -0.08 -1.00 -0.05 0.00 -0.63 0.00 0.00 43.02 41.27 2bbu s PHE 39 CO 0.01 -0.06 -0.08 -0.48 -0.05 0.00 0.00 175.22 174.55 2bbu s LEU 40 N -0.28 2.47 -0.14 -1.99 0.05 -1.25 -1.84 118.68 115.69 2bbu s LEU 40 Ca 0.04 -1.05 -0.01 0.00 0.05 0.00 0.00 54.13 53.16 2bbu s LEU 40 Cb -0.08 -0.34 -0.01 0.00 -2.05 0.00 0.00 46.19 43.71 2bbu s LEU 40 CO -0.00 -0.36 -0.11 -0.63 -0.55 0.00 0.00 176.35 174.70 2bbu s ILE 41 N -3.34 3.16 0.06 1.48 -1.09 -1.26 -3.89 121.20 116.33 2bbu s ILE 41 Ca 0.19 -0.61 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 2bbu s ILE 41 Cb 0.03 -2.35 -0.03 0.00 -1.58 0.00 0.00 42.46 38.53 2bbu s ILE 41 CO 0.02 0.51 -0.08 -0.13 -1.23 0.00 0.00 174.94 174.03 2bbu s ARG 42 N 0.50 0.64 -0.09 2.79 0.52 -1.17 -0.85 118.95 121.30 2bbu s ARG 42 Ca -0.08 -0.96 -0.30 0.00 -0.52 0.00 0.00 55.73 53.87 2bbu s ARG 42 Cb -0.15 -0.28 -0.03 0.00 0.52 0.00 0.00 34.95 35.00 2bbu s ARG 42 CO 0.04 0.03 1.29 0.34 0.02 0.00 0.00 175.30 177.02 2bbu s ASP 43 N -2.09 6.95 0.00 0.23 -1.08 -1.25 -1.90 116.67 117.53 2bbu s ASP 43 Ca -0.02 1.85 0.00 0.00 -0.52 0.00 0.00 52.55 53.86 2bbu s ASP 43 Cb -0.05 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.86 2bbu s ASP 43 CO -0.01 -0.70 0.72 -0.24 0.52 0.00 0.00 175.17 175.46 2bbu n SER 44 N 5.92 0.00 -0.06 -0.34 2.88 -1.25 -3.84 113.62 116.94 2bbu n SER 44 Ca 0.13 0.72 -0.06 0.00 -1.33 0.00 0.00 58.87 58.33 2bbu n SER 44 Cb 0.45 -0.31 -0.08 0.00 -0.75 0.00 0.00 64.21 63.52 2bbu n SER 44 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2bbu n SER 45 N -2.36 2.46 -3.37 -3.46 7.64 -1.26 -3.41 113.62 109.85 2bbu n SER 45 Ca 0.00 -0.01 0.03 0.00 1.01 0.00 0.00 58.87 59.90 2bbu n SER 45 Cb 0.00 0.58 0.01 0.00 -1.01 0.00 0.00 64.21 63.79 2bbu n SER 45 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2bbu n ASP 46 N -2.49 -0.91 0.00 6.43 2.03 -1.25 -4.98 116.55 115.38 2bbu n ASP 46 Ca -0.19 -1.13 0.14 0.00 0.52 0.00 0.00 54.79 54.14 2bbu n ASP 46 Cb 0.83 1.40 0.82 0.00 -0.72 0.00 0.00 41.12 43.45 2bbu n ASP 46 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bbu n GLN 47 N -0.77 0.74 0.00 -0.67 10.64 -1.26 -3.33 117.38 122.73 2bbu n GLN 47 Ca 0.04 0.01 0.09 0.00 -1.83 0.00 0.00 57.00 55.31 2bbu n GLN 47 Cb 0.47 -1.50 0.48 0.00 -0.86 0.00 0.00 30.24 28.84 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 -1.10 0.42 0.00 2.61 1.74 -1.26 -4.79 116.66 114.28 2bbu n ARG 48 Ca 0.19 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 2bbu n ARG 48 Cb 0.14 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 2bbu n ARG 48 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 2bbu n HIS 49 N -1.12 0.00 -1.93 -1.55 1.44 -1.21 -5.05 115.22 105.80 2bbu n HIS 49 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 2bbu n HIS 49 Cb 0.09 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.20 2bbu n HIS 49 CO 0.00 0.00 0.00 1.97 -2.81 0.00 0.00 176.34 175.50 2bbu n PHE 50 N 0.00 -2.27 -4.25 -1.40 1.16 -1.26 -4.27 117.46 105.17 2bbu n PHE 50 Ca 0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.43 2bbu n PHE 50 Cb 0.00 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.77 2bbu n PHE 50 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 2bbu s PHE 51 N 0.58 1.31 -0.02 2.97 -0.12 -1.26 -3.85 117.98 117.59 2bbu s PHE 51 Ca 0.00 -0.68 0.05 0.00 -0.05 0.00 0.00 56.93 56.25 2bbu s PHE 51 Cb 0.00 -0.67 -0.01 0.00 -0.63 0.00 0.00 43.02 41.71 2bbu s PHE 51 CO 0.00 0.11 -0.18 -0.08 -0.05 0.00 0.00 175.22 175.03 2bbu s THR 52 N -2.92 1.40 -0.02 -4.49 -1.32 -0.80 -3.44 115.64 104.06 2bbu s THR 52 Ca 0.14 -0.75 0.07 0.00 -1.21 0.00 0.00 61.69 59.94 2bbu s THR 52 Cb -0.00 -1.18 -0.02 0.00 -1.51 0.00 0.00 72.50 69.80 2bbu s THR 52 CO 0.02 0.40 -0.25 -0.22 -2.21 0.00 0.00 174.62 172.36 2bbu s LEU 53 N -0.34 2.05 0.04 9.08 0.20 0.50 -3.03 118.68 127.17 2bbu s LEU 53 Ca 0.05 -0.45 -0.00 0.00 0.69 0.00 0.00 54.13 54.42 2bbu s LEU 53 Cb -0.08 -1.27 -0.03 0.00 -0.43 0.00 0.00 46.19 44.38 2bbu s LEU 53 CO -0.00 0.29 -0.04 -0.44 -0.29 0.00 0.00 176.35 175.88 2bbu s SER 54 N -0.53 0.45 0.36 3.68 0.01 -1.25 0.80 113.70 117.23 2bbu s SER 54 Ca 0.08 -0.72 0.03 0.00 1.31 0.00 0.00 55.95 56.65 2bbu s SER 54 Cb -0.10 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.22 2bbu s SER 54 CO -0.00 -0.41 0.10 0.68 0.41 0.00 0.00 173.24 174.01 2bbu s VAL 55 N -2.51 0.78 -0.17 3.43 -7.23 -1.14 -3.95 120.40 109.62 2bbu s VAL 55 Ca -0.05 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.06 2bbu s VAL 55 Cb -0.02 -2.54 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2bbu s VAL 55 CO -0.04 0.00 0.02 -0.75 -0.31 0.00 0.00 175.10 174.02 2bbu s LYS 56 N -3.82 3.81 0.00 4.82 2.47 -1.26 -3.33 119.74 122.43 2bbu s LYS 56 Ca 0.30 -0.41 0.00 0.00 -1.56 0.00 0.00 55.97 54.30 2bbu s LYS 56 Cb 0.05 -3.08 0.00 0.00 -1.46 0.00 0.00 37.83 33.35 2bbu s LYS 56 CO 0.15 0.29 0.00 0.25 0.16 0.00 0.00 175.35 176.19 2bbu n THR 57 N 3.45 0.00 0.08 3.43 -2.24 -1.18 -4.59 114.28 113.24 2bbu n THR 57 Ca -0.17 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 2bbu n THR 57 Cb 0.52 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.32 0.00 -0.78 1.08 -1.96 -3.24 115.11 110.53 2bbu h GLN 58 Ca 0.00 -0.41 -0.06 0.00 -1.45 0.00 0.00 58.65 56.73 2bbu h GLN 58 Cb 0.00 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 2bbu h GLN 58 CO 0.00 1.12 -0.44 1.03 -0.95 0.00 0.00 178.83 179.60 2bbu h SER 59 N 0.15 0.00 -3.24 1.46 0.87 -1.97 -3.49 113.55 107.32 2bbu h SER 59 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.47 2bbu h SER 59 Cb 1.71 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.67 2bbu h SER 59 CO 0.17 0.28 0.00 0.61 -0.53 0.00 0.00 176.83 177.36 2bbu n GLY 60 N 1.19 2.42 3.65 5.77 0.00 -1.22 -5.09 105.19 111.91 2bbu n GLY 60 Ca 0.02 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 2bbu n GLY 60 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bbu s THR 61 N -1.80 5.20 0.07 2.61 -1.32 -1.25 -3.08 115.64 116.07 2bbu s THR 61 Ca 0.00 0.12 0.07 0.00 -1.21 0.00 0.00 61.69 60.67 2bbu s THR 61 Cb 0.00 -3.40 -0.04 0.00 -1.51 0.00 0.00 72.50 67.55 2bbu s THR 61 CO 0.00 0.38 -0.13 -0.54 -2.21 0.00 0.00 174.62 172.12 2bbu s LYS 62 N 0.85 2.14 0.01 7.08 -0.14 -1.21 -4.87 119.74 123.60 2bbu s LYS 62 Ca 0.07 -0.98 0.04 0.00 -1.36 0.00 0.00 55.97 53.74 2bbu s LYS 62 Cb -0.13 -2.28 -0.03 0.00 -1.68 0.00 0.00 37.83 33.71 2bbu s LYS 62 CO 0.03 0.53 -0.09 0.54 -0.76 0.00 0.00 175.35 175.60 2bbu s ASN 63 N -1.80 4.44 0.03 2.83 2.20 -1.26 -2.88 114.94 118.51 2bbu s ASN 63 Ca 0.18 -0.20 0.00 0.00 -0.94 0.00 0.00 52.86 51.91 2bbu s ASN 63 Cb -0.11 -0.98 -0.03 0.00 -2.00 0.00 0.00 41.25 38.13 2bbu s ASN 63 CO 0.09 0.28 -0.04 -0.76 -2.94 0.00 0.00 177.10 173.73 2bbu s LEU 64 N -1.37 2.30 0.29 3.54 1.02 0.24 -4.85 118.68 119.85 2bbu s LEU 64 Ca 0.16 -0.62 0.08 0.00 0.02 0.00 0.00 54.13 53.77 2bbu s LEU 64 Cb -0.11 0.05 -0.06 0.00 0.02 0.00 0.00 46.19 46.09 2bbu s LEU 64 CO 0.07 -0.34 -0.09 0.00 0.02 0.00 0.00 176.35 176.01 2bbu s ARG 65 N -2.04 1.63 0.32 1.70 1.70 -1.26 0.19 118.95 121.20 2bbu s ARG 65 Ca -0.09 -1.82 -0.27 0.00 -0.47 0.00 0.00 55.73 53.08 2bbu s ARG 65 Cb -0.06 -1.38 -0.09 0.00 -0.57 0.00 0.00 34.95 32.85 2bbu s ARG 65 CO -0.02 0.11 1.02 -1.50 -1.08 0.00 0.00 175.30 173.83 2bbu s ILE 66 N -2.84 3.82 0.02 4.99 1.10 -1.22 -4.79 121.20 122.28 2bbu s ILE 66 Ca 0.30 1.60 0.05 0.00 -0.51 0.00 0.00 60.65 62.09 2bbu s ILE 66 Cb 0.02 -3.93 -0.03 0.00 0.15 0.00 0.00 42.46 38.67 2bbu s ILE 66 CO 0.13 0.21 -0.11 -1.58 -2.11 0.00 0.00 174.94 171.48 2bbu s GLN 67 N -1.91 2.36 -0.28 3.50 -0.44 0.36 -4.90 119.66 118.34 2bbu s GLN 67 Ca 0.50 -0.83 -0.10 0.00 -2.50 0.00 0.00 55.36 52.43 2bbu s GLN 67 Cb -0.25 -2.37 -0.04 0.00 -1.64 0.00 0.00 33.01 28.72 2bbu s GLN 67 CO 0.31 0.58 0.16 0.00 0.50 0.00 0.00 175.29 176.84 2bbu s GLU 69 N 1.70 2.65 0.55 0.00 2.12 -0.41 -4.89 118.70 120.42 2bbu s GLU 69 Ca 0.06 -1.57 0.00 0.00 0.36 0.00 0.00 54.97 53.83 2bbu s GLU 69 Cb -0.16 -3.92 0.00 0.00 0.26 0.00 0.00 34.13 30.31 2bbu s GLU 69 CO 0.09 -1.08 0.00 0.41 -0.54 0.00 0.00 175.26 174.14 2bbu n GLY 70 N 4.98 0.25 2.53 -1.50 0.00 -1.26 -0.77 105.19 109.42 2bbu n GLY 70 Ca -0.10 0.67 0.01 0.00 0.00 0.00 0.00 46.02 46.60 2bbu n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbu n GLY 71 N 0.00 1.63 3.17 -0.02 0.00 -1.26 -4.90 105.19 103.81 2bbu n GLY 71 Ca 0.00 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.39 0.77 -0.11 1.61 1.04 0.05 -4.97 113.70 108.70 2bbu s SER 72 Ca 0.29 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 55.63 2bbu s SER 72 Cb 0.34 0.19 0.01 0.00 0.10 0.00 0.00 66.02 66.65 2bbu s SER 72 CO -0.07 -0.61 -0.20 -0.36 0.98 0.00 0.00 173.24 172.98 2bbu s PHE 73 N -3.83 2.30 0.13 5.02 0.40 -1.26 -1.28 117.98 119.46 2bbu s PHE 73 Ca 0.19 -1.01 -0.18 0.00 -0.60 0.00 0.00 56.93 55.32 2bbu s PHE 73 Cb 0.07 -1.58 0.05 0.00 0.51 0.00 0.00 43.02 42.07 2bbu s PHE 73 CO -0.01 -0.45 0.46 -1.12 0.70 0.00 0.00 175.22 174.80 2bbu s SER 74 N 0.62 -0.34 -0.12 1.36 0.01 -0.90 -4.59 113.70 109.74 2bbu s SER 74 Ca -0.13 -0.22 0.12 0.00 1.31 0.00 0.00 55.95 57.03 2bbu s SER 74 Cb -0.16 0.51 0.55 0.00 0.21 0.00 0.00 66.02 67.13 2bbu s SER 74 CO 0.04 -0.88 1.39 -0.11 0.41 0.00 0.00 173.24 174.08 2bbu n LEU 75 N -0.26 3.93 -2.44 2.44 7.94 -1.26 -0.49 117.00 126.86 2bbu n LEU 75 Ca -0.16 -1.99 -0.02 0.00 -1.11 0.00 0.00 56.01 52.73 2bbu n LEU 75 Cb 0.64 -0.55 -0.01 0.00 0.53 0.00 0.00 43.42 44.02 2bbu n LEU 75 CO 0.16 0.57 -0.45 0.00 -1.11 0.00 0.00 177.39 176.56 2bbu n GLN 76 N 0.62 -3.14 0.02 1.96 1.13 -1.26 -4.89 117.38 111.82 2bbu n GLN 76 Ca 0.19 2.54 0.00 0.00 -1.94 0.00 0.00 57.00 57.79 2bbu n GLN 76 Cb 0.79 -4.45 0.00 0.00 0.11 0.00 0.00 30.24 26.69 2bbu n GLN 76 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2bbu n SER 77 N 0.85 -0.38 -4.55 1.08 2.88 -1.26 -5.09 113.62 107.15 2bbu n SER 77 Ca -0.12 0.09 -0.42 0.00 -1.33 0.00 0.00 58.87 57.09 2bbu n SER 77 Cb 0.19 0.75 -0.08 0.00 -0.75 0.00 0.00 64.21 64.32 2bbu n SER 77 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2bbu s ASP 78 N -1.10 6.30 -0.06 -3.46 -4.77 -1.26 -4.95 116.67 107.37 2bbu s ASP 78 Ca 0.00 -0.12 -0.18 0.00 -3.30 0.00 0.00 52.55 48.95 2bbu s ASP 78 Cb 0.00 -2.27 -0.13 0.00 -1.09 0.00 0.00 42.92 39.44 2bbu s ASP 78 CO 0.00 -0.51 0.70 1.55 0.70 0.00 0.00 175.17 177.61 2bbu h PRO 79 N 8.52 -0.24 -0.35 2.11 0.13 -2.04 -3.32 132.00 136.80 2bbu h PRO 79 Ca -0.28 0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.92 2bbu h PRO 79 Cb 1.12 0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 2bbu h PRO 79 CO 0.78 0.11 0.09 -0.09 -0.23 0.00 0.00 178.00 178.66 2bbu h ARG 80 N -0.95 0.21 -4.60 0.86 9.65 -2.07 -3.47 114.38 114.02 2bbu h ARG 80 Ca -0.03 -0.01 -0.21 0.00 -1.10 0.00 0.00 59.98 58.63 2bbu h ARG 80 Cb 0.46 -0.05 0.13 0.00 -1.39 0.00 0.00 29.97 29.12 2bbu h ARG 80 CO 0.04 0.14 -0.56 0.43 2.80 0.00 0.00 179.97 182.82 2bbu n SER 81 N -5.06 -3.25 -0.10 -3.80 7.64 -1.25 -4.97 113.62 102.82 2bbu n SER 81 Ca 0.01 -0.45 -0.22 0.00 1.01 0.00 0.00 58.87 59.21 2bbu n SER 81 Cb 0.15 -3.74 -0.12 0.00 -1.01 0.00 0.00 64.21 59.49 2bbu n SER 81 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2bbu n THR 82 N -3.00 1.56 0.24 0.44 -1.04 -1.26 -4.52 114.28 106.71 2bbu n THR 82 Ca -0.14 -0.47 -0.17 0.00 -2.04 0.00 0.00 64.05 61.23 2bbu n THR 82 Cb 0.60 -1.68 -0.09 0.00 -1.82 0.00 0.00 70.33 67.35 2bbu n THR 82 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2bbu h GLN 83 N -0.37 -0.82 0.00 -2.82 1.08 -2.02 -3.43 115.11 106.73 2bbu h GLN 83 Ca -0.56 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 2bbu h GLN 83 Cb 1.78 0.19 0.00 0.00 -0.05 0.00 0.00 27.48 29.40 2bbu h GLN 83 CO -0.16 -0.54 0.00 -0.35 -0.95 0.00 0.00 178.83 176.82 2bbu n PRO 84 N -5.51 1.35 -4.33 1.46 -0.04 -1.26 -5.07 135.00 121.59 2bbu n PRO 84 Ca -0.10 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.12 2bbu n PRO 84 Cb 0.41 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.74 2bbu n PRO 84 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bbu s VAL 85 N 0.00 1.69 0.17 0.52 1.01 -1.26 -5.05 120.40 117.48 2bbu s VAL 85 Ca 0.00 -1.49 -0.31 0.00 0.00 0.00 0.00 61.98 60.18 2bbu s VAL 85 Cb 0.00 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.76 2bbu s VAL 85 CO 0.00 -0.03 1.41 -2.16 0.00 0.00 0.00 175.10 174.32 2bbu s PRO 86 N -1.80 4.31 -0.45 2.72 0.04 -1.26 -3.06 135.00 135.50 2bbu s PRO 86 Ca 0.06 2.16 -0.01 0.00 0.04 0.00 0.00 61.00 63.26 2bbu s PRO 86 Cb -0.10 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2bbu s PRO 86 CO 0.04 -0.42 0.38 -2.13 0.04 0.00 0.00 177.00 174.91 2bbu n ARG 87 N 3.31 -2.51 0.00 4.56 0.00 -1.26 -5.03 116.66 115.74 2bbu n ARG 87 Ca 0.10 0.30 0.00 0.00 -0.00 0.00 0.00 57.85 58.25 2bbu n ARG 87 Cb 0.41 -3.71 0.00 0.00 0.00 0.00 0.00 32.46 29.16 2bbu n ARG 87 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2bbu n PHE 88 N -2.44 0.00 -3.48 -0.14 7.35 -1.17 -4.87 117.46 112.71 2bbu n PHE 88 Ca -0.08 0.00 -0.43 0.00 -0.76 0.00 0.00 57.45 56.19 2bbu n PHE 88 Cb 0.55 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.28 2bbu n PHE 88 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2bbu s ASP 89 N -2.12 6.07 0.00 -2.13 1.11 -1.26 -4.93 116.67 113.41 2bbu s ASP 89 Ca 0.00 -0.88 0.00 0.00 0.18 0.00 0.00 52.55 51.85 2bbu s ASP 89 Cb 0.00 -2.15 0.00 0.00 1.07 0.00 0.00 42.92 41.84 2bbu s ASP 89 CO 0.00 -0.43 0.00 0.00 1.18 0.00 0.00 175.17 175.92 2bbu h VAL 91 N 0.00 0.41 -0.78 0.00 3.04 -1.89 -2.22 116.25 114.82 2bbu h VAL 91 Ca 0.00 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.80 2bbu h VAL 91 Cb 0.00 0.85 -0.05 0.00 -2.01 0.00 0.00 31.29 30.08 2bbu h VAL 91 CO 0.00 0.00 0.51 -0.07 -1.01 0.00 0.00 177.57 177.00 2bbu h LEU 92 N 0.00 0.58 -0.31 3.16 3.38 0.12 0.25 115.31 122.49 2bbu h LEU 92 Ca 0.07 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2bbu h LEU 92 Cb 0.42 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2bbu h LEU 92 CO -0.00 0.34 0.14 0.50 0.09 0.00 0.00 178.44 179.51 2bbu h LYS 93 N 0.64 0.45 -0.23 1.13 3.64 -0.24 -2.46 116.57 119.49 2bbu h LYS 93 Ca 0.37 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 2bbu h LYS 93 Cb 0.55 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2bbu h LYS 93 CO -0.14 0.43 -0.32 1.25 -2.27 0.00 0.00 179.45 178.40 2bbu h LEU 94 N 0.36 0.50 -1.36 5.20 6.46 -1.38 -2.92 115.31 122.17 2bbu h LEU 94 Ca 0.11 -0.19 0.13 0.00 -0.12 0.00 0.00 57.88 57.80 2bbu h LEU 94 Cb 0.13 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 39.86 2bbu h LEU 94 CO -0.01 0.79 0.54 0.58 -0.62 0.00 0.00 178.44 179.72 2bbu h VAL 95 N 0.42 0.86 -0.82 1.05 2.07 -0.10 -0.05 116.25 119.67 2bbu h VAL 95 Ca 0.05 -0.22 0.20 0.00 0.82 0.00 0.00 66.70 67.55 2bbu h VAL 95 Cb 0.77 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 2bbu h VAL 95 CO 0.06 0.12 0.56 -0.74 0.02 0.00 0.00 177.57 177.59 2bbu h HIS 96 N 0.65 0.34 0.10 1.57 -0.00 -1.29 0.39 115.15 116.91 2bbu h HIS 96 Ca 0.41 0.01 -0.27 0.00 -0.00 0.00 0.00 60.37 60.52 2bbu h HIS 96 Cb 0.66 -0.11 0.01 0.00 -0.00 0.00 0.00 27.41 27.98 2bbu h HIS 96 CO -0.00 0.10 -1.17 0.45 -0.00 0.00 0.00 177.93 177.31 2bbu h HIS 97 N 0.27 0.70 0.00 5.26 -0.00 -1.17 -3.07 115.15 117.13 2bbu h HIS 97 Ca 0.41 -0.45 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 2bbu h HIS 97 Cb 1.20 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 28.55 2bbu h HIS 97 CO -0.00 1.31 -0.14 1.88 -0.00 0.00 0.00 177.93 180.98 2bbu h TYR 98 N 0.18 0.00 -2.39 2.45 0.05 -0.60 -3.37 116.97 113.29 2bbu h TYR 98 Ca -0.14 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.05 2bbu h TYR 98 Cb 1.85 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 39.21 2bbu h TYR 98 CO 0.08 0.14 -0.95 -1.33 -1.05 0.00 0.00 178.16 175.05 2bbu n MET 99 N -3.22 0.41 -2.42 4.88 2.81 0.11 -4.90 117.12 114.79 2bbu n MET 99 Ca 0.01 -3.31 -0.39 0.00 -1.81 0.00 0.00 57.70 52.20 2bbu n MET 99 Cb 0.44 -1.69 -0.04 0.00 -0.71 0.00 0.00 33.22 31.23 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 -0.23 4.40 -0.38 0.03 0.04 -1.16 -4.68 135.00 133.01 2bbu s PRO 100 Ca 0.33 1.79 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 2bbu s PRO 100 Cb 0.05 -2.95 -0.00 0.00 0.04 0.00 0.00 34.50 31.64 2bbu s PRO 100 CO -0.19 -0.00 1.54 -1.25 0.04 0.00 0.00 177.00 177.14 2bbu s PRO 101 N -1.86 3.51 -0.06 0.56 0.04 -1.26 -4.90 135.00 131.04 2bbu s PRO 101 Ca 0.50 1.12 -0.19 0.00 0.04 0.00 0.00 61.00 62.46 2bbu s PRO 101 Cb -0.30 -4.08 -0.14 0.00 0.04 0.00 0.00 34.50 30.01 2bbu s PRO 101 CO 0.39 -1.64 0.79 -1.00 0.04 0.00 0.00 177.00 175.58 2bbu h PRO 102 N 11.36 -0.23 0.00 0.56 0.13 -2.02 -3.48 132.00 138.33 2bbu h PRO 102 Ca -0.30 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2bbu h PRO 102 Cb 1.13 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2bbu h PRO 102 CO 1.07 0.17 0.00 0.41 -0.23 0.00 0.00 178.00 179.42 2bbu n GLY 103 N 0.68 -1.55 0.21 1.56 0.00 -1.26 -5.08 105.19 99.76 2bbu n GLY 103 Ca -0.07 0.55 -0.09 0.00 0.00 0.00 0.00 46.02 46.41 2bbu n GLY 103 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2bbu h THR 104 N 0.00 0.19 0.00 2.61 1.35 -2.00 -3.33 112.91 111.73 2bbu h THR 104 Ca 0.00 -0.72 -0.43 0.00 -0.55 0.00 0.00 66.41 64.71 2bbu h THR 104 Cb 0.00 0.31 0.02 0.00 -1.73 0.00 0.00 68.15 66.75 2bbu h THR 104 CO 0.00 0.05 2.81 -0.81 -0.25 0.00 0.00 175.52 177.32 2bbu n PRO 105 N -5.08 2.34 0.04 4.72 -0.04 -1.26 -4.13 135.00 131.58 2bbu n PRO 105 Ca -0.07 -1.58 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 2bbu n PRO 105 Cb 0.22 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.17 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 4.13 0.81 -2.68 3.54 7.64 -1.25 -4.62 113.62 121.19 2bbu n SER 106 Ca 0.50 0.10 -0.05 0.00 1.01 0.00 0.00 58.87 60.44 2bbu n SER 106 Cb 0.15 -0.24 0.01 0.00 -1.01 0.00 0.00 64.21 63.11 2bbu n SER 106 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 2bbu n PHE 107 N -3.23 -2.83 0.00 1.43 -0.00 -1.26 -3.98 117.46 107.59 2bbu n PHE 107 Ca 0.00 1.12 0.00 0.00 -0.00 0.00 0.00 57.45 58.57 2bbu n PHE 107 Cb 0.00 -3.69 0.00 0.00 -0.00 0.00 0.00 39.48 35.79 2bbu n PHE 107 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2bbu n SER 108 N -0.70 0.00 -4.71 -2.13 7.64 -1.26 -4.69 113.62 107.78 2bbu n SER 108 Ca 0.07 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.53 2bbu n SER 108 Cb 0.42 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.00 4.37 0.96 -3.43 1.02 -1.26 -5.02 118.68 115.33 2bbu s LEU 109 Ca 0.00 1.85 -0.13 0.00 0.02 0.00 0.00 54.13 55.87 2bbu s LEU 109 Cb 0.00 -3.57 0.17 0.00 0.02 0.00 0.00 46.19 42.80 2bbu s LEU 109 CO 0.00 -0.37 1.12 -2.16 0.02 0.00 0.00 176.35 174.96 2bbu s PRO 110 N 1.02 0.70 0.51 1.29 0.04 -1.26 -4.71 135.00 132.60 2bbu s PRO 110 Ca 0.56 0.33 -0.20 0.00 0.04 0.00 0.00 61.00 61.72 2bbu s PRO 110 Cb -0.26 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 2bbu s PRO 110 CO 0.29 -2.50 1.07 -1.25 0.04 0.00 0.00 177.00 174.65 2bbu s PRO 111 N -5.18 3.63 -0.07 0.56 0.04 -1.26 -4.99 135.00 127.72 2bbu s PRO 111 Ca 0.65 1.45 -0.22 0.00 0.04 0.00 0.00 61.00 62.92 2bbu s PRO 111 Cb -0.16 -2.06 -0.17 0.00 0.04 0.00 0.00 34.50 32.15 2bbu s PRO 111 CO 0.55 -0.59 0.84 1.15 0.04 0.00 0.00 177.00 178.98 2bbu h THR 112 N 1.40 1.07 -5.19 1.26 2.02 -1.99 -3.49 112.91 107.98 2bbu h THR 112 Ca -0.50 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.29 2bbu h THR 112 Cb 1.24 1.86 -0.05 0.00 -1.74 0.00 0.00 68.15 69.46 2bbu h THR 112 CO 0.58 0.30 -1.18 -0.62 0.37 0.00 0.00 175.52 174.97 2bbu n GLU 113 N -4.83 -3.67 -2.30 6.66 1.02 -1.26 -4.85 120.64 111.41 2bbu n GLU 113 Ca -0.08 2.89 -0.43 0.00 -0.02 0.00 0.00 57.16 59.52 2bbu n GLU 113 Cb 0.29 -4.93 -0.02 0.00 -0.02 0.00 0.00 31.44 26.76 2bbu n GLU 113 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2bbu s PRO 114 N -1.23 4.12 0.00 3.49 0.04 -1.26 -5.00 135.00 135.16 2bbu s PRO 114 Ca -0.10 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2bbu s PRO 114 Cb 0.01 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.69 2bbu s PRO 114 CO 0.73 -0.87 0.00 0.45 0.04 0.00 0.00 177.00 177.34 2bbu n SER 115 N 7.10 0.59 -3.72 6.66 2.88 -1.26 -4.88 113.62 120.99 2bbu n SER 115 Ca 0.15 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.41 2bbu n SER 115 Cb 0.45 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.93 2bbu n SER 115 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2bbu n SER 116 N 0.00 -5.27 -4.09 -3.46 7.64 -1.26 -4.84 113.62 102.33 2bbu n SER 116 Ca 0.00 -0.94 -0.43 0.00 1.01 0.00 0.00 58.87 58.51 2bbu n SER 116 Cb 0.00 -2.75 0.00 0.00 -1.01 0.00 0.00 64.21 60.46 2bbu n SER 116 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2bbu n GLU 117 N -3.57 3.85 -2.76 1.43 2.13 -1.26 -4.78 120.64 115.67 2bbu n GLU 117 Ca -0.15 -4.07 -0.01 0.00 0.66 0.00 0.00 57.16 53.59 2bbu n GLU 117 Cb 0.60 -2.75 -0.01 0.00 0.27 0.00 0.00 31.44 29.55 2bbu n GLU 117 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2bbu n VAL 118 N 2.79-10.79 -0.13 6.31 0.31 -1.26 -5.01 118.33 110.55 2bbu n VAL 118 Ca 0.32 1.85 0.00 0.00 -0.01 0.00 0.00 64.34 66.50 2bbu n VAL 118 Cb 0.37 -6.29 0.00 0.00 -0.91 0.00 0.00 33.84 27.01 2bbu n VAL 118 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2bbu n PRO 119 N 1.04 0.67 0.00 5.55 -0.04 -1.26 -5.07 135.00 135.89 2bbu n PRO 119 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2bbu n PRO 119 Cb 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 2bbu n PRO 119 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2bbu n GLU 120 N -0.26 0.00 -0.05 0.54 2.13 -1.26 -5.03 120.64 116.71 2bbu n GLU 120 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 2bbu n GLU 120 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 2bbu n GLU 120 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2bbu n GLN 121 N -2.37 0.30 -2.33 5.31 6.02 -1.26 -4.85 117.38 118.20 2bbu n GLN 121 Ca 0.00 0.40 -0.43 0.00 -0.01 0.00 0.00 57.00 56.97 2bbu n GLN 121 Cb 0.00 -1.34 -0.02 0.00 1.02 0.00 0.00 30.24 29.90 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 -1.85 4.22 0.00 -1.09 0.04 -1.26 -4.97 135.00 130.09 2bbu s PRO 122 Ca -0.11 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.72 2bbu s PRO 122 Cb 0.01 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.74 2bbu s PRO 122 CO 0.16 -0.73 0.01 -0.35 0.04 0.00 0.00 177.00 176.12 2bbu n PRO 123 N 6.69 0.00 0.18 0.56 -0.04 -1.26 -4.72 135.00 136.41 2bbu n PRO 123 Ca 0.15 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.53 2bbu n PRO 123 Cb 0.44 -0.21 -0.04 0.00 -0.04 0.00 0.00 33.50 33.66 2bbu n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu h ALA 124 N -2.00 -0.61 -5.09 0.55 0.00 -2.03 -3.48 119.26 106.60 2bbu h ALA 124 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.81 2bbu h ALA 124 Cb 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 2bbu h ALA 124 CO 0.00 -0.57 -1.05 0.94 0.00 0.00 0.00 179.25 178.57 2bbu n GLN 125 N -4.46 -3.77 0.00 0.00 -0.06 -1.26 -5.03 117.38 102.79 2bbu n GLN 125 Ca -0.06 2.85 0.00 0.00 -2.00 0.00 0.00 57.00 57.79 2bbu n GLN 125 Cb 0.20 -3.84 0.00 0.00 -4.06 0.00 0.00 30.24 22.54 2bbu n GLN 125 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2bbu n ALA 126 N 1.94 0.13 -2.29 1.69 0.00 -1.26 -5.09 120.51 115.63 2bbu n ALA 126 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2bbu n ALA 126 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.01 -5.59 -3.54 0.00 4.77 -1.26 -4.61 117.00 106.76 2bbu n LEU 127 Ca 0.00 2.62 -0.39 0.00 -0.03 0.00 0.00 56.01 58.22 2bbu n LEU 127 Cb 0.00 -2.99 -0.04 0.00 -2.33 0.00 0.00 43.42 38.06 2bbu n LEU 127 CO 0.00 -2.65 2.34 -0.81 -1.33 0.00 0.00 177.39 174.94 2bbu n PRO 128 N 1.89 1.99 -1.53 3.23 -0.04 -1.26 -4.93 135.00 134.35 2bbu n PRO 128 Ca 0.00 -1.93 -0.51 0.00 -0.04 0.00 0.00 63.50 61.02 2bbu n PRO 128 Cb 0.00 -2.89 -0.05 0.00 -0.04 0.00 0.00 33.50 30.53 2bbu n PRO 128 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bbu n GLY 129 N 4.24 -0.35 0.40 0.55 0.00 -1.26 -4.64 105.19 104.13 2bbu n GLY 129 Ca 0.51 0.55 0.00 0.00 0.00 0.00 0.00 46.02 47.07 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 1.89 0.00 0.20 1.61 2.88 -1.26 -4.87 113.62 114.07 2bbu n SER 130 Ca 0.17 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.55 2bbu n SER 130 Cb 0.21 0.10 -0.07 0.00 -0.75 0.00 0.00 64.21 63.70 2bbu n SER 130 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 2bbu h THR 131 N 0.00 0.26 0.00 2.46 2.02 -1.92 -1.90 112.91 113.83 2bbu h THR 131 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2bbu h THR 131 Cb 0.00 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 2bbu h THR 131 CO 0.00 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.44 2bbu h PRO 132 N -0.71 0.00 0.00 6.66 0.13 -1.97 -3.45 132.00 132.67 2bbu h PRO 132 Ca -0.01 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.88 2bbu h PRO 132 Cb 0.66 0.00 0.11 0.00 0.13 0.00 0.00 31.00 31.90 2bbu h PRO 132 CO -0.09 0.00 0.11 1.17 -0.23 0.00 0.00 178.00 178.96 2bbu n LYS 133 N -3.04 -1.88 -1.55 0.86 4.81 -0.72 -4.86 118.16 111.78 2bbu n LYS 133 Ca 0.02 -1.07 -0.55 0.00 -0.87 0.00 0.00 58.31 55.83 2bbu n LYS 133 Cb 0.36 -0.92 -0.07 0.00 0.02 0.00 0.00 35.03 34.42 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 -3.25 0.63 0.00 1.64 1.74 -1.26 -4.91 116.66 111.25 2bbu n ARG 134 Ca 0.09 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 2bbu n ARG 134 Cb 0.34 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 2bbu n ARG 134 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bbu n ALA 135 N 2.10 0.00 -2.80 7.54 0.00 -1.26 -4.93 120.51 121.15 2bbu n ALA 135 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.26 2bbu n ALA 135 Cb 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.48 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 3.18 -0.07 0.00 5.04 -1.24 -4.99 117.35 119.27 2bbu s TYR 136 Ca 0.00 -0.09 -0.28 0.00 -2.44 0.00 0.00 57.07 54.27 2bbu s TYR 136 Cb 0.00 -2.28 0.06 0.00 0.35 0.00 0.00 41.96 40.09 2bbu s TYR 136 CO 0.00 -0.18 0.62 1.52 -1.34 0.00 0.00 175.55 176.17 2bbu s TYR 137 N 1.49 -0.60 0.07 4.97 -0.85 -1.26 0.25 117.35 121.43 2bbu s TYR 137 Ca 0.06 1.09 0.02 0.00 -0.52 0.00 0.00 57.07 57.72 2bbu s TYR 137 Cb -0.15 0.34 -0.04 0.00 0.38 0.00 0.00 41.96 42.49 2bbu s TYR 137 CO 0.06 -0.54 0.15 0.42 -1.52 0.00 0.00 175.55 174.12 2bbu s ILE 138 N -1.01 4.97 -0.01 -3.49 1.09 0.30 -4.77 121.20 118.28 2bbu s ILE 138 Ca -0.10 -0.58 -0.24 0.00 -1.10 0.00 0.00 60.65 58.63 2bbu s ILE 138 Cb -0.01 -3.42 -0.05 0.00 -1.06 0.00 0.00 42.46 37.92 2bbu s ILE 138 CO 0.08 0.12 0.71 -0.31 -0.10 0.00 0.00 174.94 175.44 2bbu s TYR 139 N -1.46 3.66 -1.11 3.97 1.51 -1.26 0.42 117.35 123.08 2bbu s TYR 139 Ca 0.32 1.33 -0.05 0.00 -1.01 0.00 0.00 57.07 57.67 2bbu s TYR 139 Cb -0.13 -2.78 0.29 0.00 -0.11 0.00 0.00 41.96 39.24 2bbu s TYR 139 CO 0.25 0.21 1.57 0.45 -1.11 0.00 0.00 175.55 176.92 2bbu n SER 140 N 3.20 6.35 -3.82 2.29 2.88 0.70 -4.69 113.62 120.54 2bbu n SER 140 Ca -0.03 -3.39 -0.27 0.00 -1.33 0.00 0.00 58.87 53.84 2bbu n SER 140 Cb 0.51 -1.29 0.04 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 1.41 -0.47 0.00 0.46 0.00 -1.26 -2.20 105.19 103.13 2bbu n GLY 141 Ca 0.30 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.72 0.90 3.19 -0.02 0.00 -1.26 -5.09 105.19 101.20 2bbu n GLY 142 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.47 3.11 -0.47 1.61 2.02 -0.93 -5.07 118.70 118.50 2bbu s GLU 143 Ca 0.00 -0.78 -0.28 0.00 0.02 0.00 0.00 54.97 53.93 2bbu s GLU 143 Cb 0.00 -2.64 -0.01 0.00 0.10 0.00 0.00 34.13 31.58 2bbu s GLU 143 CO 0.00 -0.13 1.70 0.15 0.02 0.00 0.00 175.26 177.00 2bbu s LYS 144 N 1.14 3.13 -0.27 1.61 1.02 -1.26 0.25 119.74 125.37 2bbu s LYS 144 Ca 0.01 0.94 -0.10 0.00 0.02 0.00 0.00 55.97 56.84 2bbu s LYS 144 Cb -0.14 -4.22 -0.04 0.00 -0.52 0.00 0.00 37.83 32.90 2bbu s LYS 144 CO -0.07 -2.11 0.16 0.42 -0.92 0.00 0.00 175.35 172.83 2bbu s ILE 145 N 7.25 5.07 0.10 2.17 1.09 0.17 -4.92 121.20 132.13 2bbu s ILE 145 Ca 0.69 0.09 -0.31 0.00 -1.10 0.00 0.00 60.65 60.01 2bbu s ILE 145 Cb -0.16 -3.40 -0.07 0.00 -1.06 0.00 0.00 42.46 37.76 2bbu s ILE 145 CO 0.28 0.27 1.38 -2.16 -0.10 0.00 0.00 174.94 174.61 2bbu s PRO 146 N 1.71 4.32 -0.33 2.79 0.04 -1.26 0.11 135.00 142.38 2bbu s PRO 146 Ca 0.07 2.04 0.03 0.00 0.04 0.00 0.00 61.00 63.18 2bbu s PRO 146 Cb -0.16 -3.30 0.09 0.00 0.04 0.00 0.00 34.50 31.18 2bbu s PRO 146 CO 0.09 -0.44 0.03 -0.51 0.04 0.00 0.00 177.00 176.22 2bbu s LEU 147 N 1.26 4.38 -0.29 -3.56 1.02 0.70 -4.61 118.68 117.57 2bbu s LEU 147 Ca 0.64 -2.01 -0.10 0.00 0.02 0.00 0.00 54.13 52.68 2bbu s LEU 147 Cb -0.36 -1.55 -0.02 0.00 0.02 0.00 0.00 46.19 44.28 2bbu s LEU 147 CO 0.30 -0.36 0.16 0.54 0.02 0.00 0.00 176.35 177.01 2bbu s VAL 148 N 0.99 4.84 0.32 -1.59 0.11 -1.24 -3.64 120.40 120.19 2bbu s VAL 148 Ca 0.08 -0.18 -0.05 0.00 -2.93 0.00 0.00 61.98 58.90 2bbu s VAL 148 Cb -0.19 -3.39 0.08 0.00 -1.53 0.00 0.00 36.38 31.35 2bbu s VAL 148 CO -0.09 0.16 0.36 0.18 -3.33 0.00 0.00 175.10 172.38 2bbu n LEU 149 N 5.01 0.00 0.00 2.54 4.32 -1.26 -4.81 117.00 122.80 2bbu n LEU 149 Ca -0.14 -0.40 0.00 0.00 -0.02 0.00 0.00 56.01 55.45 2bbu n LEU 149 Cb 0.50 -0.30 0.00 0.00 -1.62 0.00 0.00 43.42 42.01 2bbu n LEU 149 CO 0.33 -1.00 0.00 -1.54 -1.22 0.00 0.00 177.39 173.96 2bbu n SER 150 N -3.37 0.00 -4.68 -1.43 3.41 -1.26 -5.03 113.62 101.26 2bbu n SER 150 Ca 0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.25 2bbu n SER 150 Cb 0.17 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.08 2bbu n SER 150 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2bbu s ARG 151 N -0.02 4.31 0.44 4.33 3.52 0.24 -4.95 118.95 126.82 2bbu s ARG 151 Ca 0.00 0.92 -0.22 0.00 -0.13 0.00 0.00 55.73 56.30 2bbu s ARG 151 Cb 0.00 -3.55 -0.09 0.00 -1.56 0.00 0.00 34.95 29.75 2bbu s ARG 151 CO 0.00 -0.23 1.03 -1.25 -0.81 0.00 0.00 175.30 174.04 2bbu s PRO 152 N 1.82 4.03 0.47 5.12 0.04 -1.26 -0.64 135.00 144.58 2bbu s PRO 152 Ca 0.36 1.40 -0.24 0.00 0.04 0.00 0.00 61.00 62.57 2bbu s PRO 152 Cb -0.17 -2.32 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 2bbu s PRO 152 CO 0.13 -0.24 1.34 -0.48 0.04 0.00 0.00 177.00 177.79 2bbu s LEU 153 N -3.04 4.04 -0.53 -3.56 0.05 -0.77 -4.79 118.68 110.09 2bbu s LEU 153 Ca 0.62 2.72 0.04 0.00 0.05 0.00 0.00 54.13 57.56 2bbu s LEU 153 Cb -0.18 -4.07 0.17 0.00 -2.05 0.00 0.00 46.19 40.05 2bbu s LEU 153 CO 0.23 -1.18 0.39 -0.55 -0.55 0.00 0.00 176.35 174.69 2bbu s SER 154 N -0.82 3.04 0.07 1.48 0.15 -1.26 -4.73 113.70 111.62 2bbu s SER 154 Ca 0.64 -3.33 0.04 0.00 0.70 0.00 0.00 55.95 53.99 2bbu s SER 154 Cb -0.39 -0.98 -0.03 0.00 -1.71 0.00 0.00 66.02 62.91 2bbu s SER 154 CO 0.49 -0.15 -0.11 -0.55 1.20 0.00 0.00 173.24 174.12 2bbu s SER 155 N -0.51 1.32 0.00 5.45 0.15 -1.21 -5.12 113.70 113.78 2bbu s SER 155 Ca 0.28 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2bbu s SER 155 Cb -0.03 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 2bbu s SER 155 CO -0.16 -0.17 0.33 -3.20 1.20 0.00 0.00 173.24 171.24