#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 0.91 -0.36 -1.84 -0.00 -1.93 -0.77 116.97 112.98 2bbu h TYR 2 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 58.73 58.61 2bbu h TYR 2 Cb 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 36.73 36.42 2bbu h TYR 2 CO 0.00 0.59 -0.27 0.37 -0.00 0.00 0.00 178.16 178.85 2bbu h GLN 3 N 0.96 0.83 -0.15 0.10 4.15 -1.95 -1.20 115.11 117.84 2bbu h GLN 3 Ca 0.25 -0.41 -0.03 0.00 0.77 0.00 0.00 58.65 59.23 2bbu h GLN 3 Cb -0.06 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 2bbu h GLN 3 CO -0.05 1.04 -0.04 -0.07 -1.93 0.00 0.00 178.83 177.78 2bbu h LEU 4 N 0.62 0.29 -0.11 -2.39 3.38 -1.89 -1.68 115.31 113.53 2bbu h LEU 4 Ca 0.07 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 2bbu h LEU 4 Cb 0.85 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 2bbu h LEU 4 CO 0.07 0.59 0.02 1.62 0.09 0.00 0.00 178.44 180.84 2bbu h VAL 5 N -0.01 1.21 -0.63 1.22 3.04 -1.18 -2.10 116.25 117.80 2bbu h VAL 5 Ca 0.04 -0.65 0.03 0.00 -1.01 0.00 0.00 66.70 65.10 2bbu h VAL 5 Cb 0.47 1.43 -0.04 0.00 -2.01 0.00 0.00 31.29 31.13 2bbu h VAL 5 CO 0.02 0.19 0.39 1.62 -1.01 0.00 0.00 177.57 178.78 2bbu h VAL 6 N -0.03 1.08 -0.80 1.51 3.04 -1.25 0.16 116.25 119.95 2bbu h VAL 6 Ca 0.04 -0.26 0.03 0.00 -1.01 0.00 0.00 66.70 65.49 2bbu h VAL 6 Cb 0.28 0.24 -0.05 0.00 -2.01 0.00 0.00 31.29 29.75 2bbu h VAL 6 CO 0.00 0.14 0.52 0.78 -1.01 0.00 0.00 177.57 178.00 2bbu h ASN 7 N 0.77 0.87 -0.28 3.17 4.21 -1.19 -0.26 115.58 122.87 2bbu h ASN 7 Ca 0.25 -0.01 -0.08 0.00 1.21 0.00 0.00 56.30 57.67 2bbu h ASN 7 Cb 0.02 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.01 2bbu h ASN 7 CO -0.10 0.61 -0.13 0.00 -1.29 0.00 0.00 177.43 176.51 2bbu h ALA 8 N 1.32 0.39 -0.99 -0.83 0.00 -0.65 -2.91 119.26 115.60 2bbu h ALA 8 Ca 0.31 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2bbu h ALA 8 Cb -0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2bbu h ALA 8 CO -0.10 0.27 0.64 0.28 0.00 0.00 0.00 179.25 180.35 2bbu h VAL 9 N 0.33 1.10 -0.30 0.00 2.07 -0.24 1.02 116.25 120.24 2bbu h VAL 9 Ca 0.06 -0.40 0.05 0.00 0.82 0.00 0.00 66.70 67.23 2bbu h VAL 9 Cb 0.65 -0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 2bbu h VAL 9 CO 0.04 0.21 0.02 -0.09 0.02 0.00 0.00 177.57 177.77 2bbu h ARG 10 N 1.18 0.10 0.06 1.57 9.65 -0.86 2.05 114.38 128.13 2bbu h ARG 10 Ca 0.42 -0.01 -0.24 0.00 -1.10 0.00 0.00 59.98 59.05 2bbu h ARG 10 Cb 0.14 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2bbu h ARG 10 CO -0.16 0.07 -1.08 -0.22 2.80 0.00 0.00 179.97 181.38 2bbu h LYS 11 N 0.11 0.26 -0.14 0.20 3.11 -1.22 -3.06 116.57 115.83 2bbu h LYS 11 Ca 0.14 -0.37 -0.12 0.00 -2.81 0.00 0.00 60.65 57.49 2bbu h LYS 11 Cb 0.18 0.13 0.00 0.00 -1.00 0.00 0.00 32.23 31.54 2bbu h LYS 11 CO -0.22 1.12 -0.38 1.25 -2.81 0.00 0.00 179.45 178.41 2bbu h LEU 12 N 0.11 0.57 -1.54 5.20 5.85 0.16 -3.15 115.31 122.51 2bbu h LEU 12 Ca -0.09 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.03 2bbu h LEU 12 Cb 1.77 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.62 2bbu h LEU 12 CO 0.17 1.06 0.20 0.06 -0.34 0.00 0.00 178.44 179.59 2bbu h GLN 13 N 0.12 0.51 0.00 1.25 3.07 0.32 -0.81 115.11 119.57 2bbu h GLN 13 Ca -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2bbu h GLN 13 Cb 0.99 -0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.44 2bbu h GLN 13 CO 0.08 0.38 0.10 1.49 0.09 0.00 0.00 178.83 180.97 2bbu h GLU 14 N 0.52 0.00 -0.77 0.06 4.81 -1.48 -1.93 114.58 115.79 2bbu h GLU 14 Ca 0.13 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 2bbu h GLU 14 Cb 0.02 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 2bbu h GLU 14 CO -0.02 0.00 0.44 0.77 -0.73 0.00 0.00 179.01 179.46 2bbu h SER 15 N 0.00 0.64 0.00 1.04 0.02 -1.24 -3.46 113.55 110.54 2bbu h SER 15 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2bbu h SER 15 Cb 0.21 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2bbu h SER 15 CO 0.00 0.39 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 2bbu n GLY 16 N -1.31 1.56 0.43 -3.77 0.00 -0.72 -5.01 105.19 96.37 2bbu n GLY 16 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.36 0.00 -3.16 1.61 1.16 -1.26 -4.79 117.46 110.66 2bbu n PHE 17 Ca 0.00 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.18 2bbu n PHE 17 Cb 0.00 0.14 -0.07 0.00 -1.61 0.00 0.00 39.48 37.94 2bbu n PHE 17 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2bbu s TYR 18 N 0.00 3.27 0.47 2.97 6.14 -1.26 -4.77 117.35 124.17 2bbu s TYR 18 Ca 0.00 0.73 -0.22 0.00 0.64 0.00 0.00 57.07 58.22 2bbu s TYR 18 Cb 0.00 -2.80 -0.08 0.00 0.42 0.00 0.00 41.96 39.51 2bbu s TYR 18 CO 0.00 -0.32 1.09 -1.58 0.64 0.00 0.00 175.55 175.39 2bbu s TRP 19 N 2.43 2.97 -0.59 4.97 0.52 -1.17 -4.88 118.94 123.18 2bbu s TRP 19 Ca 0.24 1.58 0.14 0.00 0.02 0.00 0.00 56.10 58.07 2bbu s TRP 19 Cb -0.16 -3.20 0.69 0.00 -1.15 0.00 0.00 33.47 29.65 2bbu s TRP 19 CO 0.09 -1.10 1.42 0.45 0.02 0.00 0.00 176.95 177.83 2bbu n SER 20 N -0.69 0.33 -1.92 2.95 2.88 -1.26 -4.13 113.62 111.77 2bbu n SER 20 Ca 0.08 0.64 -0.01 0.00 -1.33 0.00 0.00 58.87 58.24 2bbu n SER 20 Cb 0.50 -0.68 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 2bbu n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bbu n ALA 21 N -1.66 -2.52 -1.00 -1.46 0.00 -1.26 -4.41 120.51 108.20 2bbu n ALA 21 Ca -0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2bbu n ALA 21 Cb 0.06 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.66 2bbu n ALA 21 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2bbu n VAL 22 N -0.76 0.00 -3.79 0.00 0.24 -1.26 -4.77 118.33 107.99 2bbu n VAL 22 Ca 0.02 0.40 -0.21 0.00 -2.04 0.00 0.00 64.34 62.51 2bbu n VAL 22 Cb 0.28 -1.06 -0.04 0.00 -1.47 0.00 0.00 33.84 31.56 2bbu n VAL 22 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2bbu s THR 23 N 0.00 3.37 0.00 3.34 2.01 -1.26 -4.89 115.64 118.20 2bbu s THR 23 Ca 0.00 -1.39 0.00 0.00 0.31 0.00 0.00 61.69 60.61 2bbu s THR 23 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.37 2bbu s THR 23 CO 0.00 -0.15 0.44 0.61 -0.69 0.00 0.00 174.62 174.83 2bbu n GLY 24 N -1.39 -3.20 0.07 4.40 0.00 -1.26 -1.48 105.19 102.34 2bbu n GLY 24 Ca -0.01 0.58 -0.07 0.00 0.00 0.00 0.00 46.02 46.52 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 1.74 -0.02 0.00 -1.99 -3.26 103.07 99.55 2bbu h GLY 25 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.33 2bbu h GLY 25 CO 0.00 0.02 0.11 -2.09 0.00 0.00 0.00 176.54 174.58 2bbu h GLU 26 N 0.00 0.00 0.04 4.80 4.81 -1.95 0.14 114.58 122.42 2bbu h GLU 26 Ca -0.01 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 2bbu h GLU 26 Cb 1.71 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.10 2bbu h GLU 26 CO 0.13 0.00 -0.42 0.00 -0.73 0.00 0.00 179.01 177.99 2bbu h ALA 27 N 1.86 0.00 -0.11 2.92 0.00 -1.30 -2.07 119.26 120.57 2bbu h ALA 27 Ca 0.04 -0.55 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 2bbu h ALA 27 Cb 0.25 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2bbu h ALA 27 CO -0.00 0.19 -0.14 -2.95 0.00 0.00 0.00 179.25 176.35 2bbu h ASN 28 N -0.48 0.32 0.53 0.00 7.08 -1.53 -3.25 115.58 118.24 2bbu h ASN 28 Ca -0.06 -0.51 -0.11 0.00 -3.08 0.00 0.00 56.30 52.53 2bbu h ASN 28 Cb 1.23 -0.09 -0.02 0.00 -2.08 0.00 0.00 38.32 37.36 2bbu h ASN 28 CO 0.08 0.77 -0.53 -0.07 -2.08 0.00 0.00 177.43 175.60 2bbu h LEU 29 N -0.13 0.00 -1.96 6.14 4.07 -1.14 -3.05 115.31 119.24 2bbu h LEU 29 Ca 0.01 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.04 2bbu h LEU 29 Cb 0.69 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 2bbu h LEU 29 CO 0.03 0.53 0.40 0.25 -1.08 0.00 0.00 178.44 178.58 2bbu h LEU 30 N 0.00 0.00 -0.65 1.67 5.85 -1.40 0.28 115.31 121.05 2bbu h LEU 30 Ca -0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2bbu h LEU 30 Cb 0.94 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 2bbu h LEU 30 CO 0.07 0.00 0.20 -0.07 -0.34 0.00 0.00 178.44 178.30 2bbu h LEU 31 N 0.00 0.95 -0.98 2.25 3.38 -1.69 -1.40 115.31 117.82 2bbu h LEU 31 Ca 0.11 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2bbu h LEU 31 Cb 0.91 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2bbu h LEU 31 CO -0.00 0.91 -0.43 0.77 0.09 0.00 0.00 178.44 179.78 2bbu h SER 32 N 0.95 0.16 1.95 -0.43 4.64 -0.66 -1.30 113.55 118.86 2bbu h SER 32 Ca 0.21 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2bbu h SER 32 Cb 0.30 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2bbu h SER 32 CO -0.01 0.58 -0.01 0.00 -0.87 0.00 0.00 176.83 176.52 2bbu h ALA 33 N 1.43 0.99 -3.00 5.18 0.00 -1.21 -3.39 119.26 119.26 2bbu h ALA 33 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bbu h ALA 33 Cb 0.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2bbu h ALA 33 CO 0.06 0.02 0.00 0.39 0.00 0.00 0.00 179.25 179.72 2bbu n GLU 34 N -3.10 0.00 -1.52 0.00 -0.58 -0.57 -4.89 120.64 109.98 2bbu n GLU 34 Ca 0.04 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.37 2bbu n GLU 34 Cb 0.53 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.38 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 -0.86 2.64 -1.64 3.49 -0.04 -0.56 -4.95 135.00 133.08 2bbu n PRO 35 Ca 0.00 -2.35 -0.46 0.00 -0.04 0.00 0.00 63.50 60.65 2bbu n PRO 35 Cb 0.00 -3.12 -0.03 0.00 -0.04 0.00 0.00 33.50 30.31 2bbu n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu n ALA 36 N 6.01 0.41 -0.65 0.55 0.00 -0.75 -1.24 120.51 124.84 2bbu n ALA 36 Ca 0.54 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.41 2bbu n ALA 36 Cb 0.36 -2.17 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 1.93 0.71 3.48 0.00 0.00 -1.07 -4.98 105.19 105.26 2bbu n GLY 37 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2bbu n GLY 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbu s THR 38 N -2.27 2.83 0.08 2.61 -4.23 -0.37 -3.58 115.64 110.71 2bbu s THR 38 Ca 0.00 -1.35 0.09 0.00 -1.18 0.00 0.00 61.69 59.25 2bbu s THR 38 Cb 0.00 -2.25 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 2bbu s THR 38 CO 0.00 0.21 -0.24 0.72 -0.54 0.00 0.00 174.62 174.77 2bbu s PHE 39 N -1.04 2.07 0.09 3.99 -0.12 -1.20 -3.83 117.98 117.94 2bbu s PHE 39 Ca 0.16 -0.40 -0.09 0.00 -0.05 0.00 0.00 56.93 56.56 2bbu s PHE 39 Cb -0.11 -1.18 -0.00 0.00 -0.63 0.00 0.00 43.02 41.10 2bbu s PHE 39 CO 0.08 0.19 0.20 -1.17 -0.05 0.00 0.00 175.22 174.47 2bbu s LEU 40 N -1.60 1.37 -0.14 -1.99 0.20 -1.17 -3.10 118.68 112.24 2bbu s LEU 40 Ca 0.10 -0.65 -0.01 0.00 0.69 0.00 0.00 54.13 54.26 2bbu s LEU 40 Cb -0.10 1.07 -0.01 0.00 -0.43 0.00 0.00 46.19 46.72 2bbu s LEU 40 CO 0.04 -0.74 -0.11 -0.51 -0.29 0.00 0.00 176.35 174.73 2bbu s ILE 41 N -3.86 3.13 -0.20 6.68 2.07 -1.26 -2.66 121.20 125.10 2bbu s ILE 41 Ca 0.05 -0.62 -0.03 0.00 -1.41 0.00 0.00 60.65 58.64 2bbu s ILE 41 Cb 0.05 -2.34 -0.01 0.00 0.13 0.00 0.00 42.46 40.29 2bbu s ILE 41 CO -0.11 0.51 -0.07 0.00 -1.91 0.00 0.00 174.94 173.37 2bbu s ARG 42 N 0.51 3.36 -0.27 3.50 1.04 0.24 -3.06 118.95 124.28 2bbu s ARG 42 Ca -0.08 -0.64 -0.29 0.00 -1.04 0.00 0.00 55.73 53.68 2bbu s ARG 42 Cb -0.15 -2.91 -0.01 0.00 -2.04 0.00 0.00 34.95 29.84 2bbu s ARG 42 CO 0.04 -0.11 1.40 0.34 -0.04 0.00 0.00 175.30 176.93 2bbu s ASP 43 N 1.23 6.58 0.44 -2.89 -1.08 -1.26 -2.11 116.67 117.58 2bbu s ASP 43 Ca 0.03 1.34 -0.21 0.00 -0.52 0.00 0.00 52.55 53.18 2bbu s ASP 43 Cb -0.14 -2.54 -0.13 0.00 -1.46 0.00 0.00 42.92 38.65 2bbu s ASP 43 CO -0.02 -1.14 0.39 -0.24 0.52 0.00 0.00 175.17 174.68 2bbu n SER 44 N 7.89 -1.56 0.01 -0.34 2.88 0.11 -4.71 113.62 117.91 2bbu n SER 44 Ca 0.16 0.85 -0.11 0.00 -1.33 0.00 0.00 58.87 58.43 2bbu n SER 44 Cb 0.46 -1.05 -0.09 0.00 -0.75 0.00 0.00 64.21 62.78 2bbu n SER 44 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2bbu h SER 45 N 0.55 -0.11 -1.79 -3.46 0.02 -1.88 -3.45 113.55 103.43 2bbu h SER 45 Ca -0.40 -0.48 -0.66 0.00 -0.84 0.00 0.00 61.79 59.41 2bbu h SER 45 Cb 1.41 0.03 0.09 0.00 0.14 0.00 0.00 62.40 64.07 2bbu h SER 45 CO 0.49 0.51 0.10 0.47 -1.14 0.00 0.00 176.83 177.25 2bbu n ASP 46 N -4.85 0.79 0.24 3.07 9.92 -1.26 -4.80 116.55 119.66 2bbu n ASP 46 Ca -0.08 1.15 0.16 0.00 -0.53 0.00 0.00 54.79 55.49 2bbu n ASP 46 Cb 0.29 -1.16 0.73 0.00 -0.64 0.00 0.00 41.12 40.34 2bbu n ASP 46 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 2bbu h GLN 47 N 2.71 0.00 -2.01 -1.24 -0.00 -2.02 -3.08 115.11 109.48 2bbu h GLN 47 Ca -0.41 0.00 -0.69 0.00 -0.00 0.00 0.00 58.65 57.55 2bbu h GLN 47 Cb 1.37 0.00 -0.24 0.00 0.00 0.00 0.00 27.48 28.60 2bbu h GLN 47 CO 0.66 0.00 0.89 0.54 0.00 0.00 0.00 178.83 180.91 2bbu n ARG 48 N -2.80 2.70 -0.14 1.69 1.74 -1.26 -4.92 116.66 113.67 2bbu n ARG 48 Ca 0.00 -3.21 0.00 0.00 -0.77 0.00 0.00 57.85 53.87 2bbu n ARG 48 Cb 0.22 -2.24 0.00 0.00 -1.02 0.00 0.00 32.46 29.42 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 -0.13 -0.03 -1.90 -1.55 8.25 -1.17 -5.01 115.22 113.68 2bbu n HIS 49 Ca 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 2bbu n HIS 49 Cb 0.32 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.43 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 -4.80 4.41 1.16 -1.26 -4.64 117.46 112.34 2bbu n PHE 50 Ca 0.00 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.26 2bbu n PHE 50 Cb 0.00 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.74 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 0.48 2.60 0.02 2.97 -0.12 -1.26 0.10 117.98 122.77 2bbu s PHE 51 Ca 0.00 -0.23 0.06 0.00 -0.05 0.00 0.00 56.93 56.71 2bbu s PHE 51 Cb 0.00 -1.53 -0.02 0.00 -0.63 0.00 0.00 43.02 40.84 2bbu s PHE 51 CO 0.00 0.21 -0.18 0.99 -0.05 0.00 0.00 175.22 176.18 2bbu s THR 52 N -0.83 1.47 -0.05 -4.49 2.01 -0.90 -4.07 115.64 108.78 2bbu s THR 52 Ca 0.13 -1.02 0.05 0.00 0.31 0.00 0.00 61.69 61.16 2bbu s THR 52 Cb -0.11 -1.27 -0.00 0.00 0.01 0.00 0.00 72.50 71.13 2bbu s THR 52 CO 0.03 0.23 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.77 2bbu s LEU 53 N -0.93 1.96 0.04 4.42 0.20 0.79 -0.59 118.68 124.57 2bbu s LEU 53 Ca 0.06 -0.40 -0.00 0.00 0.69 0.00 0.00 54.13 54.48 2bbu s LEU 53 Cb -0.08 -1.09 -0.03 0.00 -0.43 0.00 0.00 46.19 44.56 2bbu s LEU 53 CO 0.01 0.18 -0.04 -0.94 -0.29 0.00 0.00 176.35 175.27 2bbu s SER 54 N -0.00 0.49 0.05 3.68 1.04 -1.09 0.56 113.70 118.43 2bbu s SER 54 Ca -0.04 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.59 2bbu s SER 54 Cb -0.12 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.10 2bbu s SER 54 CO 0.03 -0.44 -0.00 0.54 0.98 0.00 0.00 173.24 174.35 2bbu s VAL 55 N -2.76 0.20 -0.12 5.02 0.11 -1.20 -3.02 120.40 118.63 2bbu s VAL 55 Ca -0.03 -1.63 -0.05 0.00 -2.93 0.00 0.00 61.98 57.34 2bbu s VAL 55 Cb -0.01 -1.36 -0.04 0.00 -1.53 0.00 0.00 36.38 33.44 2bbu s VAL 55 CO -0.05 -0.90 0.06 -0.75 -3.33 0.00 0.00 175.10 170.13 2bbu s LYS 56 N -3.64 3.39 0.00 1.54 2.36 -1.25 -3.68 119.74 118.46 2bbu s LYS 56 Ca 0.04 -0.30 0.00 0.00 -2.55 0.00 0.00 55.97 53.17 2bbu s LYS 56 Cb 0.06 -3.03 0.00 0.00 -1.05 0.00 0.00 37.83 33.80 2bbu s LYS 56 CO -0.09 0.62 0.00 0.25 1.55 0.00 0.00 175.35 177.68 2bbu n THR 57 N 2.43 0.00 0.00 3.43 -2.24 -1.26 -2.59 114.28 114.05 2bbu n THR 57 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2bbu n THR 57 Cb 0.54 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2bbu n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2bbu n GLN 58 N -1.76 0.00 -0.30 -0.78 6.02 -1.26 -4.94 117.38 114.35 2bbu n GLN 58 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.98 2bbu n GLN 58 Cb 0.00 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.30 2bbu n GLN 58 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2bbu h SER 59 N 0.00 -1.19 0.00 1.08 0.87 -1.97 -3.46 113.55 108.87 2bbu h SER 59 Ca 0.00 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2bbu h SER 59 Cb 0.00 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 2bbu h SER 59 CO 0.00 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 176.62 2bbu n GLY 60 N -1.48 -0.96 3.88 5.77 0.00 -1.26 -5.15 105.19 106.00 2bbu n GLY 60 Ca 0.09 -1.04 -0.36 0.00 0.00 0.00 0.00 46.02 44.71 2bbu n GLY 60 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbu s THR 61 N -2.00 5.47 0.03 2.61 2.01 -1.26 -4.26 115.64 118.24 2bbu s THR 61 Ca 0.00 0.19 0.03 0.00 0.31 0.00 0.00 61.69 62.22 2bbu s THR 61 Cb 0.00 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 2bbu s THR 61 CO 0.00 0.57 -0.11 -1.59 -0.69 0.00 0.00 174.62 172.80 2bbu s LYS 62 N -1.19 0.72 -0.13 4.92 0.00 -1.24 -4.96 119.74 117.86 2bbu s LYS 62 Ca 0.18 -0.65 -0.01 0.00 0.00 0.00 0.00 55.97 55.48 2bbu s LYS 62 Cb -0.12 -0.65 -0.02 0.00 0.00 0.00 0.00 37.83 37.03 2bbu s LYS 62 CO 0.07 0.16 -0.08 1.21 0.00 0.00 0.00 175.35 176.71 2bbu s ASN 63 N -1.07 4.49 0.13 0.03 2.47 -1.26 -3.21 114.94 116.52 2bbu s ASN 63 Ca -0.02 -0.17 0.07 0.00 0.42 0.00 0.00 52.86 53.16 2bbu s ASN 63 Cb -0.07 -1.57 -0.04 0.00 -1.45 0.00 0.00 41.25 38.12 2bbu s ASN 63 CO 0.01 0.21 -0.03 -0.76 -3.72 0.00 0.00 177.10 172.81 2bbu s LEU 64 N 0.08 3.27 0.01 3.21 2.01 0.19 -4.81 118.68 122.65 2bbu s LEU 64 Ca -0.03 -0.34 -0.01 0.00 0.01 0.00 0.00 54.13 53.76 2bbu s LEU 64 Cb -0.14 -1.98 -0.01 0.00 0.01 0.00 0.00 46.19 44.07 2bbu s LEU 64 CO 0.03 0.14 0.01 0.00 1.01 0.00 0.00 176.35 177.54 2bbu s ARG 65 N -2.57 0.28 -0.00 1.70 3.03 -1.26 -0.15 118.95 119.97 2bbu s ARG 65 Ca 0.25 -0.45 -0.30 0.00 2.03 0.00 0.00 55.73 57.26 2bbu s ARG 65 Cb -0.10 0.11 -0.04 0.00 -1.03 0.00 0.00 34.95 33.88 2bbu s ARG 65 CO 0.17 -0.05 1.11 -1.50 -1.13 0.00 0.00 175.30 173.90 2bbu s ILE 66 N -1.16 4.42 0.14 4.99 1.10 -1.26 -4.69 121.20 124.74 2bbu s ILE 66 Ca -0.13 1.73 -0.03 0.00 -0.51 0.00 0.00 60.65 61.71 2bbu s ILE 66 Cb -0.08 -4.11 -0.05 0.00 0.15 0.00 0.00 42.46 38.37 2bbu s ILE 66 CO -0.00 0.09 0.35 -1.58 -2.11 0.00 0.00 174.94 171.68 2bbu s GLN 67 N 1.44 3.56 -0.01 3.50 2.00 0.59 -4.90 119.66 125.85 2bbu s GLN 67 Ca 0.55 -0.21 -0.15 0.00 -2.00 0.00 0.00 55.36 53.55 2bbu s GLN 67 Cb -0.25 -2.88 -0.06 0.00 0.80 0.00 0.00 33.01 30.63 2bbu s GLN 67 CO 0.26 0.47 0.42 0.00 -0.50 0.00 0.00 175.29 175.94 2bbu s GLU 69 N -0.93 0.92 1.50 0.00 2.56 0.12 -4.94 118.70 117.92 2bbu s GLU 69 Ca 0.24 -1.06 0.00 0.00 0.00 0.00 0.00 54.97 54.15 2bbu s GLU 69 Cb -0.17 -2.23 0.00 0.00 2.00 0.00 0.00 34.13 33.73 2bbu s GLU 69 CO 0.13 -0.87 0.00 0.41 -0.56 0.00 0.00 175.26 174.37 2bbu n GLY 70 N 4.78 1.84 1.69 -1.50 0.00 -1.26 0.20 105.19 110.95 2bbu n GLY 70 Ca -0.04 0.52 -0.11 0.00 0.00 0.00 0.00 46.02 46.39 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 4.47 3.19 -0.02 0.00 -1.26 -4.97 105.19 106.60 2bbu n GLY 71 Ca 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.77 0.92 0.04 1.61 1.04 0.54 -5.00 113.70 111.09 2bbu s SER 72 Ca 0.51 -1.13 0.07 0.00 0.48 0.00 0.00 55.95 55.89 2bbu s SER 72 Cb 0.44 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.69 2bbu s SER 72 CO 0.07 -0.58 -0.21 0.12 0.98 0.00 0.00 173.24 173.62 2bbu s PHE 73 N -3.76 1.82 0.23 5.02 5.36 -1.26 0.11 117.98 125.50 2bbu s PHE 73 Ca 0.20 -0.38 -0.17 0.00 -0.96 0.00 0.00 56.93 55.62 2bbu s PHE 73 Cb 0.06 -1.08 0.02 0.00 -0.34 0.00 0.00 43.02 41.68 2bbu s PHE 73 CO 0.00 0.09 0.55 0.45 -1.46 0.00 0.00 175.22 174.86 2bbu s SER 74 N -1.19 -0.22 -0.17 6.13 0.15 -0.53 -3.51 113.70 114.37 2bbu s SER 74 Ca 0.07 -0.62 -0.04 0.00 0.70 0.00 0.00 55.95 56.06 2bbu s SER 74 Cb -0.09 0.61 -0.09 0.00 -1.71 0.00 0.00 66.02 64.74 2bbu s SER 74 CO 0.02 -1.14 -0.19 -0.11 1.20 0.00 0.00 173.24 173.03 2bbu n LEU 75 N -0.38 2.10 -4.11 3.45 7.94 -1.26 0.22 117.00 124.97 2bbu n LEU 75 Ca -0.07 0.06 -0.36 0.00 -1.11 0.00 0.00 56.01 54.54 2bbu n LEU 75 Cb 0.62 -0.54 -0.06 0.00 0.53 0.00 0.00 43.42 43.96 2bbu n LEU 75 CO 0.18 0.57 0.35 0.00 -1.11 0.00 0.00 177.39 177.38 2bbu n GLN 76 N -3.39 2.65 -1.36 1.96 6.02 -1.26 -4.42 117.38 117.58 2bbu n GLN 76 Ca -0.32 -4.48 -0.33 0.00 -0.01 0.00 0.00 57.00 51.86 2bbu n GLN 76 Cb 0.78 -2.41 0.10 0.00 1.02 0.00 0.00 30.24 29.72 2bbu n GLN 76 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2bbu s SER 77 N -0.18 4.18 -0.10 1.08 0.01 -1.26 -5.02 113.70 112.41 2bbu s SER 77 Ca 0.28 2.23 0.02 0.00 1.31 0.00 0.00 55.95 59.79 2bbu s SER 77 Cb -0.07 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 2bbu s SER 77 CO -0.13 -2.27 -0.16 1.51 0.41 0.00 0.00 173.24 172.61 2bbu s ASP 78 N -2.32 3.82 0.00 2.44 1.47 -1.26 -4.98 116.67 115.84 2bbu s ASP 78 Ca 0.71 -0.34 0.20 0.00 1.18 0.00 0.00 52.55 54.30 2bbu s ASP 78 Cb -0.26 -1.34 1.11 0.00 -0.34 0.00 0.00 42.92 42.10 2bbu s ASP 78 CO 0.47 0.21 1.62 -0.81 0.68 0.00 0.00 175.17 177.35 2bbu n PRO 79 N 3.19 0.45 -0.35 2.11 -0.04 -1.26 -3.49 135.00 135.61 2bbu n PRO 79 Ca -0.18 0.05 0.03 0.00 -0.04 0.00 0.00 63.50 63.37 2bbu n PRO 79 Cb 0.53 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 2bbu n PRO 79 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2bbu h ARG 80 N 0.00 1.04 0.00 0.54 1.12 -2.00 -3.46 114.38 111.61 2bbu h ARG 80 Ca 0.00 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.81 2bbu h ARG 80 Cb 0.10 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 29.83 2bbu h ARG 80 CO 0.00 0.69 0.00 -1.13 -3.11 0.00 0.00 179.97 176.42 2bbu n SER 81 N -4.57 0.00 -1.49 -3.80 3.41 -1.23 -5.03 113.62 100.91 2bbu n SER 81 Ca 0.16 -0.04 -0.08 0.00 -0.26 0.00 0.00 58.87 58.65 2bbu n SER 81 Cb 0.23 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.40 2bbu n SER 81 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2bbu n THR 82 N 0.00 2.73 -2.82 6.66 -2.24 -1.26 -4.83 114.28 112.52 2bbu n THR 82 Ca 0.00 -2.31 -0.42 0.00 -2.27 0.00 0.00 64.05 59.05 2bbu n THR 82 Cb 0.00 -0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 67.84 2bbu n THR 82 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2bbu s GLN 83 N -3.18 4.42 0.00 -0.78 -0.21 -1.26 -5.00 119.66 113.64 2bbu s GLN 83 Ca 0.49 1.19 0.00 0.00 0.02 0.00 0.00 55.36 57.05 2bbu s GLN 83 Cb 0.42 -3.52 0.00 0.00 1.00 0.00 0.00 33.01 30.91 2bbu s GLN 83 CO 0.05 -0.19 0.00 -0.35 -2.12 0.00 0.00 175.29 172.68 2bbu n PRO 84 N 4.61 1.26 -4.19 2.91 -0.04 -1.26 -4.84 135.00 133.44 2bbu n PRO 84 Ca 0.05 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.20 2bbu n PRO 84 Cb 0.50 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.87 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 0.00 3.90 0.15 0.52 -7.23 -1.26 -5.08 120.40 111.39 2bbu s VAL 85 Ca 0.00 -0.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.90 2bbu s VAL 85 Cb 0.00 -2.82 -0.07 0.00 0.56 0.00 0.00 36.38 34.04 2bbu s VAL 85 CO 0.00 0.17 1.20 -2.16 -0.31 0.00 0.00 175.10 174.01 2bbu s PRO 86 N -2.12 4.47 -0.90 4.82 0.04 -1.26 -3.37 135.00 136.68 2bbu s PRO 86 Ca 0.24 1.85 -0.05 0.00 0.04 0.00 0.00 61.00 63.07 2bbu s PRO 86 Cb -0.12 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.16 2bbu s PRO 86 CO 0.16 -0.14 0.78 -2.13 0.04 0.00 0.00 177.00 175.71 2bbu n ARG 87 N 2.96 -5.27 -3.83 4.56 0.63 -1.26 -3.28 116.66 111.18 2bbu n ARG 87 Ca 0.06 0.56 -0.23 0.00 -0.92 0.00 0.00 57.85 57.32 2bbu n ARG 87 Cb 0.45 -4.78 -0.07 0.00 0.45 0.00 0.00 32.46 28.51 2bbu n ARG 87 CO 0.00 0.00 0.00 1.97 -2.51 0.00 0.00 177.63 177.09 2bbu n PHE 88 N -4.05 -0.92 -2.19 -0.14 1.16 -1.22 -4.75 117.46 105.36 2bbu n PHE 88 Ca -0.02 0.44 -0.43 0.00 -1.87 0.00 0.00 57.45 55.56 2bbu n PHE 88 Cb 0.55 -2.03 -0.02 0.00 -1.61 0.00 0.00 39.48 36.36 2bbu n PHE 88 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2bbu s ASP 89 N -4.01 6.14 0.00 5.98 1.01 -1.20 -4.67 116.67 119.92 2bbu s ASP 89 Ca 0.01 1.04 0.00 0.00 0.71 0.00 0.00 52.55 54.31 2bbu s ASP 89 Cb -0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2bbu s ASP 89 CO 0.73 -1.55 0.00 0.00 0.21 0.00 0.00 175.17 174.55 2bbu h VAL 91 N 0.00 0.55 -0.31 0.00 3.04 -1.89 1.61 116.25 119.25 2bbu h VAL 91 Ca 0.00 -0.10 0.01 0.00 -1.01 0.00 0.00 66.70 65.60 2bbu h VAL 91 Cb 0.00 0.22 -0.02 0.00 -2.01 0.00 0.00 31.29 29.49 2bbu h VAL 91 CO 0.00 0.06 0.19 -0.07 -1.01 0.00 0.00 177.57 176.73 2bbu h LEU 92 N 0.30 0.31 -1.09 3.16 4.07 -1.94 -1.12 115.31 119.01 2bbu h LEU 92 Ca 0.41 -0.00 -0.09 0.00 0.08 0.00 0.00 57.88 58.27 2bbu h LEU 92 Cb 0.67 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.33 2bbu h LEU 92 CO -0.48 0.23 -0.35 0.50 -1.08 0.00 0.00 178.44 177.26 2bbu h LYS 93 N 0.39 0.19 -0.52 1.13 1.63 -1.22 -2.68 116.57 115.49 2bbu h LYS 93 Ca 0.12 -0.08 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2bbu h LYS 93 Cb -0.02 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 2bbu h LYS 93 CO -0.05 0.52 0.35 1.25 -3.45 0.00 0.00 179.45 178.07 2bbu h LEU 94 N 0.17 0.58 -1.21 5.20 6.46 0.34 -1.81 115.31 125.04 2bbu h LEU 94 Ca 0.02 -0.01 0.13 0.00 -0.12 0.00 0.00 57.88 57.90 2bbu h LEU 94 Cb 0.70 -0.14 -0.07 0.00 -0.73 0.00 0.00 40.66 40.42 2bbu h LEU 94 CO 0.05 0.41 0.59 0.58 -0.62 0.00 0.00 178.44 179.45 2bbu h VAL 95 N 0.68 0.88 -0.33 1.05 2.07 -0.97 0.47 116.25 120.10 2bbu h VAL 95 Ca 0.20 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 2bbu h VAL 95 Cb -0.04 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.72 2bbu h VAL 95 CO -0.04 0.15 -0.05 0.45 0.02 0.00 0.00 177.57 178.09 2bbu h HIS 96 N 0.80 0.56 0.00 1.57 3.86 -1.46 -0.47 115.15 120.01 2bbu h HIS 96 Ca 0.45 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.59 2bbu h HIS 96 Cb 0.61 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.92 2bbu h HIS 96 CO -0.00 0.58 -0.00 0.45 0.86 0.00 0.00 177.93 179.82 2bbu h HIS 97 N 0.51 -0.01 0.00 2.45 -0.00 -0.57 -3.19 115.15 114.34 2bbu h HIS 97 Ca 0.10 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2bbu h HIS 97 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.81 2bbu h HIS 97 CO 0.01 0.86 0.00 0.66 -0.00 0.00 0.00 177.93 179.46 2bbu n TYR 98 N -4.67 0.28 -1.84 2.45 4.01 0.13 -4.67 117.16 112.85 2bbu n TYR 98 Ca -0.09 0.13 -0.02 0.00 -0.16 0.00 0.00 57.90 57.76 2bbu n TYR 98 Cb 0.42 -0.71 -0.01 0.00 -0.31 0.00 0.00 39.34 38.72 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 -1.77 -2.16 -1.57 -0.72 1.56 -0.20 -4.77 117.12 107.49 2bbu n MET 99 Ca 0.01 1.88 -0.31 0.00 -0.27 0.00 0.00 57.70 59.00 2bbu n MET 99 Cb 0.08 -2.66 0.05 0.00 2.15 0.00 0.00 33.22 32.84 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 -1.05 2.87 0.54 2.12 0.04 -1.14 -4.76 135.00 133.61 2bbu s PRO 100 Ca -0.08 1.02 -0.19 0.00 0.04 0.00 0.00 61.00 61.79 2bbu s PRO 100 Cb 0.01 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.50 2bbu s PRO 100 CO 0.22 -1.16 1.07 -1.25 0.04 0.00 0.00 177.00 175.93 2bbu s PRO 101 N -4.91 3.52 -0.88 0.56 0.04 -1.26 -4.87 135.00 127.20 2bbu s PRO 101 Ca 0.59 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.78 2bbu s PRO 101 Cb -0.15 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2bbu s PRO 101 CO 0.53 -0.67 1.79 -1.25 0.04 0.00 0.00 177.00 177.44 2bbu s PRO 102 N -3.49 2.83 0.00 0.56 0.04 -1.26 -4.68 135.00 129.00 2bbu s PRO 102 Ca 0.68 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.37 2bbu s PRO 102 Cb -0.18 -4.99 0.00 0.00 0.04 0.00 0.00 34.50 29.37 2bbu s PRO 102 CO 0.27 -2.96 0.00 0.41 0.04 0.00 0.00 177.00 174.76 2bbu n GLY 103 N 6.62 2.34 3.13 0.56 0.00 -1.26 -5.09 105.19 111.48 2bbu n GLY 103 Ca 0.34 0.07 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 2bbu n GLY 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbu s THR 104 N 2.16 3.35 0.11 2.61 2.01 -1.26 -4.94 115.64 119.68 2bbu s THR 104 Ca 0.00 -2.02 -0.13 0.00 0.31 0.00 0.00 61.69 59.86 2bbu s THR 104 Cb 0.00 -3.28 -0.14 0.00 0.01 0.00 0.00 72.50 69.09 2bbu s THR 104 CO 0.00 -0.68 1.32 1.55 -0.69 0.00 0.00 174.62 176.12 2bbu h PRO 105 N 8.08 0.81 -5.23 4.92 0.13 -1.91 -3.48 132.00 135.33 2bbu h PRO 105 Ca -0.14 -0.63 -0.28 0.00 -0.87 0.00 0.00 66.00 64.08 2bbu h PRO 105 Cb 1.05 0.12 0.15 0.00 0.13 0.00 0.00 31.00 32.46 2bbu h PRO 105 CO 0.70 1.24 -0.69 0.43 -0.23 0.00 0.00 178.00 179.46 2bbu n SER 106 N -3.96 -2.60 0.04 1.44 7.64 -1.26 -4.89 113.62 110.03 2bbu n SER 106 Ca -0.07 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.25 2bbu n SER 106 Cb 0.72 -4.61 0.00 0.00 -1.01 0.00 0.00 64.21 59.31 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 -3.67 -1.40 0.00 1.43 -0.00 -1.26 -5.08 117.46 107.48 2bbu n PHE 107 Ca -0.23 0.19 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 2bbu n PHE 107 Cb 0.64 0.78 0.00 0.00 -0.00 0.00 0.00 39.48 40.91 2bbu n PHE 107 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2bbu n SER 108 N -2.71 0.00 -4.46 -2.13 2.88 -1.26 -5.08 113.62 100.86 2bbu n SER 108 Ca 0.00 0.00 -0.45 0.00 -1.33 0.00 0.00 58.87 57.09 2bbu n SER 108 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2bbu n SER 108 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2bbu n LEU 109 N 0.00 0.74 -4.63 2.46 7.99 -1.26 -4.79 117.00 117.51 2bbu n LEU 109 Ca 0.00 0.21 -0.43 0.00 -0.01 0.00 0.00 56.01 55.78 2bbu n LEU 109 Cb 0.00 -1.02 -0.02 0.00 -0.11 0.00 0.00 43.42 42.27 2bbu n LEU 109 CO 0.00 -0.83 1.22 -2.16 -1.51 0.00 0.00 177.39 174.11 2bbu s PRO 110 N 8.16 3.86 0.00 3.23 0.04 -1.26 -4.91 135.00 144.12 2bbu s PRO 110 Ca 1.27 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2bbu s PRO 110 Cb -1.15 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 29.45 2bbu s PRO 110 CO 0.50 -1.19 0.00 -0.35 0.04 0.00 0.00 177.00 175.99 2bbu n PRO 111 N 7.46 0.00 0.00 0.56 -0.04 -1.26 -4.88 135.00 136.84 2bbu n PRO 111 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2bbu n PRO 111 Cb 0.46 -0.13 0.00 0.00 -0.04 0.00 0.00 33.50 33.79 2bbu n PRO 111 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2bbu n THR 112 N 0.00 0.00 -2.38 0.52 -2.24 -1.26 -4.49 114.28 104.43 2bbu n THR 112 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 2bbu n THR 112 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 2bbu n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2bbu s GLU 113 N 0.00 3.40 1.04 -0.78 2.02 -1.26 -5.07 118.70 118.05 2bbu s GLU 113 Ca 0.00 0.30 -0.15 0.00 0.02 0.00 0.00 54.97 55.13 2bbu s GLU 113 Cb 0.00 -2.27 0.21 0.00 0.10 0.00 0.00 34.13 32.17 2bbu s GLU 113 CO 0.00 -0.43 1.15 -1.25 0.02 0.00 0.00 175.26 174.75 2bbu s PRO 114 N -4.92 0.08 0.13 0.39 0.04 -1.26 -4.90 135.00 124.57 2bbu s PRO 114 Ca 0.51 0.11 -0.33 0.00 0.04 0.00 0.00 61.00 61.32 2bbu s PRO 114 Cb -0.11 -1.73 -0.17 0.00 0.04 0.00 0.00 34.50 32.53 2bbu s PRO 114 CO 0.47 -2.88 0.91 -1.13 0.04 0.00 0.00 177.00 174.42 2bbu n SER 115 N -4.20 0.04 -4.30 6.66 3.41 -1.26 -4.96 113.62 109.01 2bbu n SER 115 Ca 0.10 1.14 -0.25 0.00 -0.26 0.00 0.00 58.87 59.61 2bbu n SER 115 Cb 0.59 -1.04 -0.13 0.00 -0.26 0.00 0.00 64.21 63.38 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 -0.36 2.63 0.00 4.04 0.01 -1.26 -5.14 113.70 113.62 2bbu s SER 116 Ca 0.75 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 57.33 2bbu s SER 116 Cb -1.00 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 65.07 2bbu s SER 116 CO 0.55 0.08 0.00 -0.62 0.41 0.00 0.00 173.24 173.66 2bbu n GLU 117 N 1.12 3.32 -2.08 12.44 1.02 -1.26 -4.95 120.64 130.26 2bbu n GLU 117 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 2bbu n GLU 117 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 2bbu n GLU 117 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2bbu n VAL 118 N 0.00-13.08 0.00 2.62 0.31 -1.26 -4.99 118.33 101.93 2bbu n VAL 118 Ca 0.00 3.22 0.00 0.00 -0.01 0.00 0.00 64.34 67.55 2bbu n VAL 118 Cb 0.00 -5.57 0.00 0.00 -0.91 0.00 0.00 33.84 27.36 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 1.80 0.00 0.00 5.55 -0.04 -1.26 -4.79 135.00 136.26 2bbu n PRO 119 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2bbu n PRO 119 Cb 0.00 -0.25 0.00 0.00 -0.04 0.00 0.00 33.50 33.21 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 -0.08 0.00 -3.54 0.54 2.13 -1.26 -4.52 120.64 113.91 2bbu n GLU 120 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 2bbu n GLU 120 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2bbu n GLU 120 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2bbu s GLN 121 N 0.00 0.40 -0.16 5.31 0.74 -1.26 -5.12 119.66 119.57 2bbu s GLN 121 Ca 0.00 0.84 -0.29 0.00 0.05 0.00 0.00 55.36 55.96 2bbu s GLN 121 Cb 0.00 0.34 -0.02 0.00 1.10 0.00 0.00 33.01 34.42 2bbu s GLN 121 CO 0.00 -0.11 1.38 -1.25 -0.55 0.00 0.00 175.29 174.76 2bbu s PRO 122 N 2.03 4.17 -0.00 1.67 0.04 -1.26 -4.98 135.00 136.67 2bbu s PRO 122 Ca -0.06 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.42 2bbu s PRO 122 Cb -0.06 -3.84 -0.05 0.00 0.04 0.00 0.00 34.50 30.59 2bbu s PRO 122 CO -0.17 -0.81 1.29 -1.25 0.04 0.00 0.00 177.00 176.10 2bbu s PRO 123 N 3.75 4.34 0.62 0.56 0.04 -1.26 -4.76 135.00 138.28 2bbu s PRO 123 Ca 0.60 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2bbu s PRO 123 Cb -0.24 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.79 2bbu s PRO 123 CO 0.20 -0.46 0.00 0.00 0.04 0.00 0.00 177.00 176.77 2bbu n ALA 124 N 4.96 -2.73 -3.53 8.56 0.00 -1.26 -4.73 120.51 121.79 2bbu n ALA 124 Ca 0.11 0.68 -0.41 0.00 0.00 0.00 0.00 53.44 53.82 2bbu n ALA 124 Cb 0.45 -1.54 -0.07 0.00 0.00 0.00 0.00 19.45 18.29 2bbu n ALA 124 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2bbu s GLN 125 N -5.03 2.76 -1.73 0.00 2.00 -1.26 -4.58 119.66 111.82 2bbu s GLN 125 Ca 0.00 -2.09 0.00 0.00 -2.00 0.00 0.00 55.36 51.27 2bbu s GLN 125 Cb 0.00 -4.01 0.00 0.00 0.80 0.00 0.00 33.01 29.80 2bbu s GLN 125 CO 0.00 -1.22 0.00 0.00 -0.50 0.00 0.00 175.29 173.57 2bbu n ALA 126 N 4.40 -0.40 -2.59 1.58 0.00 -1.26 -4.82 120.51 117.42 2bbu n ALA 126 Ca -0.00 0.24 -0.16 0.00 0.00 0.00 0.00 53.44 53.52 2bbu n ALA 126 Cb 0.41 -1.80 0.02 0.00 0.00 0.00 0.00 19.45 18.08 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 -2.40 2.71 -2.79 0.00 4.77 -1.26 -4.95 117.00 113.08 2bbu n LEU 127 Ca -0.18 -4.30 -0.18 0.00 -0.03 0.00 0.00 56.01 51.31 2bbu n LEU 127 Cb 0.60 0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.72 2bbu n LEU 127 CO 0.26 1.83 2.03 -0.81 -1.33 0.00 0.00 177.39 179.36 2bbu n PRO 128 N -0.22 1.96 -0.25 3.23 -0.04 -1.26 -4.88 135.00 133.54 2bbu n PRO 128 Ca 0.21 -1.22 0.03 0.00 -0.04 0.00 0.00 63.50 62.48 2bbu n PRO 128 Cb 0.76 -2.24 -0.01 0.00 -0.04 0.00 0.00 33.50 31.97 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 3.30 -1.91 3.37 0.55 0.00 -1.26 -4.67 105.19 104.58 2bbu n GLY 129 Ca 0.42 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 2bbu n GLY 129 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bbu n SER 130 N -1.26 -2.19 -4.33 1.61 7.64 -1.26 -4.60 113.62 109.22 2bbu n SER 130 Ca 0.00 0.19 -0.57 0.00 1.01 0.00 0.00 58.87 59.50 2bbu n SER 130 Cb 0.11 -1.13 -0.10 0.00 -1.01 0.00 0.00 64.21 62.08 2bbu n SER 130 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2bbu n THR 131 N -3.85 0.07 -0.74 0.44 -2.24 -1.26 -4.71 114.28 101.98 2bbu n THR 131 Ca 0.05 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.60 2bbu n THR 131 Cb 0.56 -0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 67.83 2bbu n THR 131 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2bbu n PRO 132 N 7.61 1.75 -2.70 -0.78 -0.04 -1.26 -3.91 135.00 135.68 2bbu n PRO 132 Ca 0.50 -1.02 -0.06 0.00 -0.04 0.00 0.00 63.50 62.87 2bbu n PRO 132 Cb 0.05 -2.09 0.10 0.00 -0.04 0.00 0.00 33.50 31.52 2bbu n PRO 132 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2bbu n LYS 133 N 3.18 1.26 -0.72 0.54 2.85 -1.26 -5.14 118.16 118.87 2bbu n LYS 133 Ca 0.38 -1.99 -0.31 0.00 -1.05 0.00 0.00 58.31 55.33 2bbu n LYS 133 Cb 0.44 -0.21 0.14 0.00 -0.65 0.00 0.00 35.03 34.75 2bbu n LYS 133 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2bbu n ARG 134 N -0.74 -1.36 -3.62 -1.58 3.00 -1.25 -5.03 116.66 106.08 2bbu n ARG 134 Ca -0.04 -0.39 -0.07 0.00 -0.01 0.00 0.00 57.85 57.34 2bbu n ARG 134 Cb 0.85 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 31.76 2bbu n ARG 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bbu s ALA 135 N -2.15 -2.03 -0.05 7.54 0.00 -1.26 -5.10 121.76 118.71 2bbu s ALA 135 Ca 0.47 1.76 -0.01 0.00 0.00 0.00 0.00 51.96 54.18 2bbu s ALA 135 Cb -0.05 -1.32 0.03 0.00 0.00 0.00 0.00 23.12 21.77 2bbu s ALA 135 CO 0.60 -0.23 0.03 -0.47 0.00 0.00 0.00 175.76 175.69 2bbu s TYR 136 N -0.33 0.30 0.22 0.00 5.04 -1.25 -4.93 117.35 116.39 2bbu s TYR 136 Ca 0.03 0.08 -0.18 0.00 -2.44 0.00 0.00 57.07 54.57 2bbu s TYR 136 Cb -0.03 -0.57 0.02 0.00 0.35 0.00 0.00 41.96 41.73 2bbu s TYR 136 CO -0.06 -0.22 0.56 1.52 -1.34 0.00 0.00 175.55 176.01 2bbu s TYR 137 N 1.91 -0.06 0.06 4.97 -0.85 -1.26 -2.84 117.35 119.28 2bbu s TYR 137 Ca 0.03 -0.31 0.01 0.00 -0.52 0.00 0.00 57.07 56.28 2bbu s TYR 137 Cb -0.12 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.61 2bbu s TYR 137 CO -0.04 -1.00 0.16 0.42 -1.52 0.00 0.00 175.55 173.57 2bbu s ILE 138 N -3.91 5.06 -0.17 -3.49 1.01 -0.45 -4.88 121.20 114.37 2bbu s ILE 138 Ca 0.12 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.16 2bbu s ILE 138 Cb -0.02 -3.45 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 2bbu s ILE 138 CO 0.01 0.15 0.16 -0.31 0.00 0.00 0.00 174.94 174.95 2bbu s TYR 139 N -1.44 3.48 -0.79 3.97 1.51 -1.26 0.19 117.35 123.01 2bbu s TYR 139 Ca 0.32 0.44 -0.05 0.00 -1.01 0.00 0.00 57.07 56.77 2bbu s TYR 139 Cb -0.13 -2.12 0.03 0.00 -0.11 0.00 0.00 41.96 39.63 2bbu s TYR 139 CO 0.25 0.43 2.77 0.45 -1.11 0.00 0.00 175.55 178.34 2bbu n SER 140 N 3.00 7.04 -2.75 2.29 2.88 0.66 -4.71 113.62 122.03 2bbu n SER 140 Ca -0.17 -3.04 -0.09 0.00 -1.33 0.00 0.00 58.87 54.24 2bbu n SER 140 Cb 0.53 -1.33 -0.01 0.00 -0.75 0.00 0.00 64.21 62.65 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 1.59 -0.49 0.00 0.46 0.00 -1.26 -2.60 105.19 102.88 2bbu n GLY 141 Ca 0.55 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -0.68 0.68 3.23 -0.02 0.00 -1.26 -5.11 105.19 102.03 2bbu n GLY 142 Ca -0.02 0.00 -0.34 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 0.00 3.20 -0.57 1.61 8.01 -1.07 -5.07 118.70 124.81 2bbu s GLU 143 Ca 0.00 -0.73 -0.28 0.00 0.01 0.00 0.00 54.97 53.97 2bbu s GLU 143 Cb 0.00 -2.73 0.02 0.00 -4.31 0.00 0.00 34.13 27.11 2bbu s GLU 143 CO 0.00 -0.13 1.34 -1.59 0.01 0.00 0.00 175.26 174.89 2bbu s LYS 144 N 1.18 3.38 -0.44 1.61 -2.85 -1.26 0.24 119.74 121.60 2bbu s LYS 144 Ca 0.02 0.37 -0.24 0.00 -1.00 0.00 0.00 55.97 55.12 2bbu s LYS 144 Cb -0.14 -4.09 0.02 0.00 -2.06 0.00 0.00 37.83 31.57 2bbu s LYS 144 CO -0.05 -1.85 0.82 0.42 0.10 0.00 0.00 175.35 174.78 2bbu s ILE 145 N 5.66 4.62 0.00 3.79 1.09 0.13 -4.93 121.20 131.56 2bbu s ILE 145 Ca 0.49 0.56 -0.30 0.00 -1.10 0.00 0.00 60.65 60.30 2bbu s ILE 145 Cb -0.10 -4.33 -0.04 0.00 -1.06 0.00 0.00 42.46 36.93 2bbu s ILE 145 CO 0.25 -0.70 1.16 -2.16 -0.10 0.00 0.00 174.94 173.38 2bbu s PRO 146 N 3.37 4.42 -0.04 2.79 0.04 -1.26 -1.34 135.00 142.97 2bbu s PRO 146 Ca 0.32 1.67 0.04 0.00 0.04 0.00 0.00 61.00 63.07 2bbu s PRO 146 Cb -0.12 -3.45 -0.00 0.00 0.04 0.00 0.00 34.50 30.97 2bbu s PRO 146 CO 0.23 -0.30 -0.18 -0.51 0.04 0.00 0.00 177.00 176.28 2bbu s LEU 147 N 1.50 1.93 -0.33 -3.56 2.01 -1.13 -4.93 118.68 114.18 2bbu s LEU 147 Ca 0.56 -0.37 -0.14 0.00 0.01 0.00 0.00 54.13 54.20 2bbu s LEU 147 Cb -0.26 -1.01 -0.02 0.00 0.01 0.00 0.00 46.19 44.91 2bbu s LEU 147 CO 0.26 0.16 0.29 0.68 1.01 0.00 0.00 176.35 178.75 2bbu s VAL 148 N 0.02 5.24 -0.17 -1.59 -7.23 -1.26 -3.76 120.40 111.65 2bbu s VAL 148 Ca -0.04 -0.01 -0.19 0.00 -1.81 0.00 0.00 61.98 59.93 2bbu s VAL 148 Cb -0.12 -3.72 -0.03 0.00 0.56 0.00 0.00 36.38 33.07 2bbu s VAL 148 CO 0.02 0.01 0.53 -0.76 -0.31 0.00 0.00 175.10 174.60 2bbu s LEU 149 N 1.86 4.19 0.00 1.32 1.43 -1.26 -4.85 118.68 121.37 2bbu s LEU 149 Ca 0.09 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 2bbu s LEU 149 Cb -0.17 -2.75 0.00 0.00 0.03 0.00 0.00 46.19 43.30 2bbu s LEU 149 CO 0.11 -0.14 0.00 -1.54 0.23 0.00 0.00 176.35 175.01 2bbu n SER 150 N 4.48 0.00 -4.67 2.29 3.41 -1.26 -4.82 113.62 113.05 2bbu n SER 150 Ca -0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.16 2bbu n SER 150 Cb 0.51 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.41 2bbu n SER 150 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2bbu s ARG 151 N -0.44 4.30 0.42 4.33 0.52 -1.24 -4.98 118.95 121.87 2bbu s ARG 151 Ca 0.00 0.90 -0.22 0.00 -0.52 0.00 0.00 55.73 55.89 2bbu s ARG 151 Cb 0.00 -3.56 -0.10 0.00 0.52 0.00 0.00 34.95 31.82 2bbu s ARG 151 CO 0.00 -0.25 1.00 -1.25 0.02 0.00 0.00 175.30 174.81 2bbu s PRO 152 N 1.90 4.15 0.85 3.54 0.04 -1.26 -3.23 135.00 140.99 2bbu s PRO 152 Ca 0.36 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.59 2bbu s PRO 152 Cb -0.17 -2.33 0.11 0.00 0.04 0.00 0.00 34.50 32.15 2bbu s PRO 152 CO 0.13 -0.12 1.17 -0.48 0.04 0.00 0.00 177.00 177.74 2bbu s LEU 153 N -2.97 3.01 -0.32 -3.56 -0.00 -1.18 -4.75 118.68 108.92 2bbu s LEU 153 Ca 0.61 2.23 -0.01 0.00 -0.00 0.00 0.00 54.13 56.95 2bbu s LEU 153 Cb -0.15 -4.57 0.10 0.00 -0.00 0.00 0.00 46.19 41.57 2bbu s LEU 153 CO 0.20 -2.78 0.12 -0.55 -0.00 0.00 0.00 176.35 173.34 2bbu s SER 154 N -2.51 3.85 -0.13 1.48 0.15 -1.26 -4.95 113.70 110.33 2bbu s SER 154 Ca 0.69 -1.65 0.10 0.00 0.70 0.00 0.00 55.95 55.79 2bbu s SER 154 Cb -0.25 -0.74 -0.15 0.00 -1.71 0.00 0.00 66.02 63.17 2bbu s SER 154 CO 0.54 -0.41 0.03 -1.54 1.20 0.00 0.00 173.24 173.06 2bbu n SER 155 N 4.81 2.00 0.00 5.45 3.41 -1.26 -5.15 113.62 122.88 2bbu n SER 155 Ca -0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2bbu n SER 155 Cb 0.41 0.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 2bbu n SER 155 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47