#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 0.73 -0.88 -0.32 -0.00 -1.91 -2.11 116.97 112.49 2bbu h TYR 2 Ca 0.00 -0.01 0.12 0.00 -0.00 0.00 0.00 58.73 58.84 2bbu h TYR 2 Cb 0.00 -0.24 -0.07 0.00 -0.00 0.00 0.00 36.73 36.43 2bbu h TYR 2 CO 0.00 0.52 0.57 0.37 -0.00 0.00 0.00 178.16 179.62 2bbu h GLN 3 N 0.76 0.74 -0.25 0.10 4.15 -2.01 0.14 115.11 118.73 2bbu h GLN 3 Ca 0.19 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2bbu h GLN 3 Cb 0.03 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 2bbu h GLN 3 CO -0.03 0.49 0.15 -0.07 -1.93 0.00 0.00 178.83 177.44 2bbu h LEU 4 N 0.76 0.30 -0.26 -2.39 3.38 -1.78 0.11 115.31 115.43 2bbu h LEU 4 Ca 0.42 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 58.22 2bbu h LEU 4 Cb 0.58 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2bbu h LEU 4 CO -0.19 0.27 -0.33 0.58 0.09 0.00 0.00 178.44 178.86 2bbu h VAL 5 N 0.32 1.31 0.01 1.22 2.07 -1.35 -2.22 116.25 117.60 2bbu h VAL 5 Ca 0.09 -1.52 0.01 0.00 0.82 0.00 0.00 66.70 66.10 2bbu h VAL 5 Cb 0.02 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2bbu h VAL 5 CO -0.02 0.48 -0.05 0.58 0.02 0.00 0.00 177.57 178.58 2bbu h VAL 6 N 0.39 0.87 -0.83 2.57 2.07 -0.58 0.63 116.25 121.38 2bbu h VAL 6 Ca 0.03 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.58 2bbu h VAL 6 Cb 0.91 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 2bbu h VAL 6 CO 0.08 0.00 0.54 0.78 0.02 0.00 0.00 177.57 178.98 2bbu h ASN 7 N -0.09 0.89 -0.76 0.57 4.21 -0.80 -1.75 115.58 117.85 2bbu h ASN 7 Ca 0.02 -0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 2bbu h ASN 7 Cb 0.12 -0.20 -0.04 0.00 -1.12 0.00 0.00 38.32 37.08 2bbu h ASN 7 CO -0.05 0.62 0.39 0.00 -1.29 0.00 0.00 177.43 177.10 2bbu h ALA 8 N 1.34 0.97 -0.98 -0.83 0.00 -0.87 -2.05 119.26 116.85 2bbu h ALA 8 Ca 0.33 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.18 2bbu h ALA 8 Cb -0.01 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.41 2bbu h ALA 8 CO -0.11 0.50 0.63 0.28 0.00 0.00 0.00 179.25 180.56 2bbu h VAL 9 N 1.05 1.06 -0.36 0.00 2.07 -0.02 0.73 116.25 120.78 2bbu h VAL 9 Ca 0.26 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2bbu h VAL 9 Cb 0.07 -0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 29.65 2bbu h VAL 9 CO -0.04 0.20 0.08 0.03 0.02 0.00 0.00 177.57 177.86 2bbu h ARG 10 N 1.11 0.20 0.13 1.57 3.08 -0.84 0.64 114.38 120.27 2bbu h ARG 10 Ca 0.43 -0.01 -0.30 0.00 0.07 0.00 0.00 59.98 60.17 2bbu h ARG 10 Cb 0.22 -0.04 0.03 0.00 0.08 0.00 0.00 29.97 30.25 2bbu h ARG 10 CO -0.18 0.13 -1.25 -0.22 -1.07 0.00 0.00 179.97 177.38 2bbu h LYS 11 N 0.21 0.56 -0.13 0.04 3.64 -1.21 -3.22 116.57 116.45 2bbu h LYS 11 Ca 0.17 -0.77 -0.06 0.00 -1.27 0.00 0.00 60.65 58.72 2bbu h LYS 11 Cb 0.19 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2bbu h LYS 11 CO -0.22 1.35 -0.20 1.25 -2.27 0.00 0.00 179.45 179.36 2bbu h LEU 12 N 0.23 0.21 -0.58 5.20 5.85 0.77 -2.76 115.31 124.23 2bbu h LEU 12 Ca -0.18 -0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.38 2bbu h LEU 12 Cb 1.93 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.89 2bbu h LEU 12 CO 0.23 0.42 -0.08 1.56 -0.34 0.00 0.00 178.44 180.23 2bbu h GLN 13 N 0.20 1.04 -0.49 1.25 4.20 0.24 -2.74 115.11 118.82 2bbu h GLN 13 Ca 0.04 -0.37 0.03 0.00 0.06 0.00 0.00 58.65 58.40 2bbu h GLN 13 Cb 0.47 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 2bbu h GLN 13 CO 0.03 1.07 0.33 0.93 -0.67 0.00 0.00 178.83 180.51 2bbu h GLU 14 N 0.93 0.54 -0.19 1.46 3.07 -1.50 -1.95 114.58 116.94 2bbu h GLU 14 Ca 0.15 -0.03 -0.18 0.00 -0.50 0.00 0.00 59.36 58.79 2bbu h GLU 14 Cb 0.65 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.44 2bbu h GLU 14 CO 0.04 0.36 -0.62 0.66 -1.40 0.00 0.00 179.01 178.05 2bbu h SER 15 N 0.56 0.76 0.00 1.42 4.64 -1.47 -3.47 113.55 115.99 2bbu h SER 15 Ca 0.20 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2bbu h SER 15 Cb 0.09 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2bbu h SER 15 CO -0.05 1.20 0.00 0.61 -0.87 0.00 0.00 176.83 177.72 2bbu n GLY 16 N 0.42 0.78 0.82 -0.77 0.00 -0.74 -4.89 105.19 100.81 2bbu n GLY 16 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 0.41 -3.29 1.61 7.35 -1.26 -2.00 117.46 118.28 2bbu n PHE 17 Ca 0.00 -0.20 -0.38 0.00 -0.76 0.00 0.00 57.45 56.10 2bbu n PHE 17 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 2bbu n PHE 17 CO 0.00 0.00 0.00 -0.47 -0.76 0.00 0.00 176.76 175.53 2bbu s TYR 18 N -1.59 3.57 -0.29 -5.13 5.04 -1.24 -4.27 117.35 113.43 2bbu s TYR 18 Ca 0.34 0.99 0.02 0.00 -2.44 0.00 0.00 57.07 55.98 2bbu s TYR 18 Cb 0.19 -2.56 0.08 0.00 0.35 0.00 0.00 41.96 40.02 2bbu s TYR 18 CO 0.27 0.24 0.01 -1.58 -1.34 0.00 0.00 175.55 173.15 2bbu s TRP 19 N 0.32 2.88 -0.09 4.97 0.52 -0.92 -4.90 118.94 121.72 2bbu s TRP 19 Ca 0.28 -2.29 0.13 0.00 0.02 0.00 0.00 56.10 54.23 2bbu s TRP 19 Cb -0.16 -2.16 0.20 0.00 -1.15 0.00 0.00 33.47 30.20 2bbu s TRP 19 CO 0.13 -0.87 1.09 0.45 0.02 0.00 0.00 176.95 177.76 2bbu n SER 20 N 4.52 1.99 -0.00 2.95 2.88 -1.26 -3.20 113.62 121.50 2bbu n SER 20 Ca -0.04 -2.71 0.12 0.00 -1.33 0.00 0.00 58.87 54.91 2bbu n SER 20 Cb 0.43 -0.31 0.27 0.00 -0.75 0.00 0.00 64.21 63.84 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 -1.08 3.49 -2.68 -1.46 0.00 -1.26 -4.89 120.51 112.63 2bbu n ALA 21 Ca 0.11 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2bbu n ALA 21 Cb 0.56 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2bbu n ALA 21 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2bbu n VAL 22 N -1.50 0.00 -2.81 0.00 0.24 -1.26 -5.09 118.33 107.92 2bbu n VAL 22 Ca 0.06 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.15 2bbu n VAL 22 Cb 0.34 -0.24 0.07 0.00 -1.47 0.00 0.00 33.84 32.54 2bbu n VAL 22 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2bbu s THR 23 N 1.57 2.31 0.00 3.34 -4.23 -1.26 -4.78 115.64 112.59 2bbu s THR 23 Ca 0.00 -0.80 -0.02 0.00 -1.18 0.00 0.00 61.69 59.69 2bbu s THR 23 Cb 0.00 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 2bbu s THR 23 CO 0.00 0.00 1.03 1.23 -0.54 0.00 0.00 174.62 176.34 2bbu h GLY 24 N -0.06 -1.00 1.14 3.99 0.00 -1.76 0.27 103.07 105.66 2bbu h GLY 24 Ca -0.35 0.43 -0.30 0.00 0.00 0.00 0.00 47.33 47.11 2bbu h GLY 24 CO 0.43 -0.37 -1.32 -1.33 0.00 0.00 0.00 176.54 173.95 2bbu h GLY 25 N -0.04 0.58 1.93 4.60 0.00 -1.92 -3.15 103.07 105.06 2bbu h GLY 25 Ca -0.00 -1.44 0.01 0.00 0.00 0.00 0.00 47.33 45.90 2bbu h GLY 25 CO -0.01 1.26 0.03 -2.09 0.00 0.00 0.00 176.54 175.73 2bbu h GLU 26 N 0.06 0.00 0.09 4.80 4.57 -1.96 -0.22 114.58 121.93 2bbu h GLU 26 Ca -0.23 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.74 2bbu h GLU 26 Cb 2.03 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.64 2bbu h GLU 26 CO 0.25 0.00 -0.90 0.00 -1.18 0.00 0.00 179.01 177.18 2bbu h ALA 27 N 1.98 -0.02 -0.21 2.92 0.00 -0.99 -2.62 119.26 120.31 2bbu h ALA 27 Ca 0.02 -0.68 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 2bbu h ALA 27 Cb 0.07 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2bbu h ALA 27 CO -0.00 0.47 -0.17 -2.95 0.00 0.00 0.00 179.25 176.61 2bbu h ASN 28 N -0.07 0.51 0.35 0.00 7.08 -1.37 -3.23 115.58 118.85 2bbu h ASN 28 Ca -0.14 -0.45 -0.12 0.00 -3.08 0.00 0.00 56.30 52.51 2bbu h ASN 28 Cb 1.64 -0.14 -0.01 0.00 -2.08 0.00 0.00 38.32 37.72 2bbu h ASN 28 CO 0.17 0.86 -0.50 -0.07 -2.08 0.00 0.00 177.43 175.81 2bbu h LEU 29 N 0.17 0.19 -2.20 6.14 4.07 -1.18 -3.00 115.31 119.51 2bbu h LEU 29 Ca 0.04 -0.09 0.05 0.00 0.08 0.00 0.00 57.88 57.96 2bbu h LEU 29 Cb 0.70 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.37 2bbu h LEU 29 CO 0.04 0.67 0.27 0.17 -1.08 0.00 0.00 178.44 178.51 2bbu h LEU 30 N 0.14 0.00 0.11 1.67 8.10 -1.48 0.72 115.31 124.57 2bbu h LEU 30 Ca 0.00 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 57.70 2bbu h LEU 30 Cb 0.94 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 41.18 2bbu h LEU 30 CO 0.07 0.00 -1.26 0.17 -4.11 0.00 0.00 178.44 173.31 2bbu h LEU 31 N 0.00 0.75 -0.82 0.17 8.10 -1.65 -2.68 115.31 119.18 2bbu h LEU 31 Ca 0.08 -0.72 -0.12 0.00 0.11 0.00 0.00 57.88 57.23 2bbu h LEU 31 Cb 0.61 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 40.58 2bbu h LEU 31 CO -0.00 1.54 -0.48 0.77 -4.11 0.00 0.00 178.44 176.16 2bbu h SER 32 N 0.21 0.27 1.86 0.17 4.64 -1.02 -0.78 113.55 118.90 2bbu h SER 32 Ca -0.18 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2bbu h SER 32 Cb 1.94 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.96 2bbu h SER 32 CO 0.23 0.72 -0.14 0.00 -0.87 0.00 0.00 176.83 176.77 2bbu h ALA 33 N 1.29 0.93 -1.52 5.18 0.00 -1.29 -3.40 119.26 120.44 2bbu h ALA 33 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bbu h ALA 33 Cb 0.93 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2bbu h ALA 33 CO 0.08 0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.79 2bbu n GLU 34 N -3.08 0.00 -1.46 0.00 -0.58 -1.01 -4.84 120.64 109.67 2bbu n GLU 34 Ca 0.03 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.37 2bbu n GLU 34 Cb 0.56 -0.05 -0.05 0.00 -0.57 0.00 0.00 31.44 31.33 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 -1.79 1.72 -1.73 3.49 -0.04 -0.31 -4.93 135.00 131.41 2bbu n PRO 35 Ca 0.00 -2.11 -0.41 0.00 -0.04 0.00 0.00 63.50 60.94 2bbu n PRO 35 Cb 0.00 -3.15 0.00 0.00 -0.04 0.00 0.00 33.50 30.32 2bbu n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu n ALA 36 N 8.86 1.66 -1.07 0.55 0.00 -1.24 -1.69 120.51 127.59 2bbu n ALA 36 Ca 0.49 0.31 -0.02 0.00 0.00 0.00 0.00 53.44 54.21 2bbu n ALA 36 Cb 0.42 -2.32 -0.01 0.00 0.00 0.00 0.00 19.45 17.54 2bbu n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bbu n GLY 37 N 0.68 0.56 3.09 0.00 0.00 -1.26 -5.02 105.19 103.24 2bbu n GLY 37 Ca 0.05 -0.92 -0.16 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.08 0.77 0.25 2.61 2.01 -0.68 -2.64 115.64 115.88 2bbu s THR 38 Ca 0.00 -1.03 0.11 0.00 0.31 0.00 0.00 61.69 61.08 2bbu s THR 38 Cb 0.00 -0.77 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 2bbu s THR 38 CO 0.00 -0.22 -0.19 0.72 -0.69 0.00 0.00 174.62 174.25 2bbu s PHE 39 N -1.11 2.13 0.12 4.92 -0.12 0.59 -3.97 117.98 120.53 2bbu s PHE 39 Ca -0.05 -0.40 -0.15 0.00 -0.05 0.00 0.00 56.93 56.29 2bbu s PHE 39 Cb -0.09 -0.95 0.03 0.00 -0.63 0.00 0.00 43.02 41.39 2bbu s PHE 39 CO 0.01 0.60 0.37 -1.17 -0.05 0.00 0.00 175.22 174.98 2bbu s LEU 40 N -3.37 0.55 -0.09 -1.99 0.20 -1.13 0.27 118.68 113.12 2bbu s LEU 40 Ca 0.27 -0.36 0.02 0.00 0.69 0.00 0.00 54.13 54.75 2bbu s LEU 40 Cb -0.04 1.72 -0.02 0.00 -0.43 0.00 0.00 46.19 47.41 2bbu s LEU 40 CO 0.12 -0.83 -0.14 -0.51 -0.29 0.00 0.00 176.35 174.70 2bbu s ILE 41 N -3.78 3.00 -0.14 6.68 -1.16 -1.26 -3.12 121.20 121.43 2bbu s ILE 41 Ca 0.03 -0.71 -0.01 0.00 -0.51 0.00 0.00 60.65 59.45 2bbu s ILE 41 Cb 0.02 -2.21 -0.02 0.00 0.61 0.00 0.00 42.46 40.86 2bbu s ILE 41 CO -0.12 0.56 -0.10 -0.60 -2.81 0.00 0.00 174.94 171.87 2bbu s ARG 42 N -0.16 3.46 -0.11 3.50 6.06 -0.99 -2.17 118.95 128.54 2bbu s ARG 42 Ca -0.01 -0.64 -0.09 0.00 -2.50 0.00 0.00 55.73 52.49 2bbu s ARG 42 Cb -0.13 -2.71 -0.04 0.00 0.06 0.00 0.00 34.95 32.12 2bbu s ARG 42 CO 0.03 0.22 0.20 -0.51 -2.50 0.00 0.00 175.30 172.74 2bbu s ASP 43 N 0.36 6.44 0.25 -2.12 1.01 -1.19 -0.00 116.67 121.41 2bbu s ASP 43 Ca -0.09 0.53 0.00 0.00 0.71 0.00 0.00 52.55 53.70 2bbu s ASP 43 Cb -0.15 -2.11 0.00 0.00 1.01 0.00 0.00 42.92 41.66 2bbu s ASP 43 CO 0.05 0.35 0.00 -0.24 0.21 0.00 0.00 175.17 175.54 2bbu n SER 44 N 2.25 -3.49 0.00 0.27 2.88 0.57 -4.77 113.62 111.33 2bbu n SER 44 Ca -0.18 0.75 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2bbu n SER 44 Cb 0.54 -1.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.31 2bbu n SER 44 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2bbu n SER 45 N -2.22 0.00 0.00 -3.46 2.88 -1.26 -3.11 113.62 106.44 2bbu n SER 45 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2bbu n SER 45 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 2bbu n SER 45 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2bbu n ASP 46 N -0.95 0.00 0.02 -3.46 -0.08 -1.26 -4.43 116.55 106.39 2bbu n ASP 46 Ca 0.00 0.00 -0.06 0.00 -1.51 0.00 0.00 54.79 53.22 2bbu n ASP 46 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 2bbu n ASP 46 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 2bbu h GLN 47 N 0.00 0.00 -0.06 -0.67 4.15 -2.06 -3.31 115.11 113.16 2bbu h GLN 47 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 2bbu h GLN 47 Cb 0.00 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 2bbu h GLN 47 CO 0.00 0.64 -0.44 0.00 -1.93 0.00 0.00 178.83 177.10 2bbu h ARG 48 N 0.00 0.13 -3.80 1.69 3.08 -2.03 -3.49 114.38 109.96 2bbu h ARG 48 Ca -0.16 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2bbu h ARG 48 Cb 1.83 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.88 2bbu h ARG 48 CO 0.09 0.55 -0.90 1.58 -1.07 0.00 0.00 179.97 180.22 2bbu n HIS 49 N -4.01 -4.22 -2.03 3.04 -0.00 -1.25 -4.93 115.22 101.82 2bbu n HIS 49 Ca -0.02 2.26 0.00 0.00 -0.00 0.00 0.00 57.72 59.97 2bbu n HIS 49 Cb 0.48 -3.41 0.00 0.00 -0.00 0.00 0.00 29.99 27.06 2bbu n HIS 49 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 2bbu n PHE 50 N -1.54 0.00 -5.01 1.57 1.16 -1.26 -4.87 117.46 107.51 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 0.17 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 37.90 2bbu n PHE 50 CO 0.00 0.00 0.00 -0.06 -1.87 0.00 0.00 176.76 174.83 2bbu s PHE 51 N -3.41 2.60 0.07 2.97 0.40 -1.26 0.21 117.98 119.56 2bbu s PHE 51 Ca 0.00 -0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.17 2bbu s PHE 51 Cb 0.00 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 2bbu s PHE 51 CO 0.00 0.12 -0.23 0.95 0.70 0.00 0.00 175.22 176.76 2bbu s THR 52 N -0.68 1.86 -0.15 0.64 -4.23 0.99 0.28 115.64 114.35 2bbu s THR 52 Ca 0.11 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.24 2bbu s THR 52 Cb -0.10 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 72.12 2bbu s THR 52 CO 0.00 0.16 -0.20 -1.48 -0.54 0.00 0.00 174.62 172.56 2bbu s LEU 53 N -1.48 2.05 0.04 4.79 0.05 0.43 -2.34 118.68 122.22 2bbu s LEU 53 Ca 0.09 -0.60 -0.05 0.00 0.05 0.00 0.00 54.13 53.62 2bbu s LEU 53 Cb -0.09 -1.41 -0.01 0.00 -2.05 0.00 0.00 46.19 42.63 2bbu s LEU 53 CO 0.03 0.03 0.09 -0.94 -0.55 0.00 0.00 176.35 175.01 2bbu s SER 54 N 1.07 0.21 0.28 1.48 1.04 -1.18 -1.34 113.70 115.25 2bbu s SER 54 Ca -0.01 -0.61 -0.01 0.00 0.48 0.00 0.00 55.95 55.80 2bbu s SER 54 Cb -0.14 0.23 -0.02 0.00 0.10 0.00 0.00 66.02 66.19 2bbu s SER 54 CO -0.07 -0.54 0.30 0.54 0.98 0.00 0.00 173.24 174.46 2bbu s VAL 55 N -2.88 0.00 -0.16 5.02 0.11 -1.24 -2.84 120.40 118.41 2bbu s VAL 55 Ca -0.03 -1.82 -0.00 0.00 -2.93 0.00 0.00 61.98 57.21 2bbu s VAL 55 Cb 0.00 -2.49 -0.00 0.00 -1.53 0.00 0.00 36.38 32.36 2bbu s VAL 55 CO -0.06 0.00 -0.14 -0.75 -3.33 0.00 0.00 175.10 170.82 2bbu s LYS 56 N -3.68 3.25 0.00 1.54 2.20 -1.25 -3.85 119.74 117.94 2bbu s LYS 56 Ca 0.35 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 55.23 2bbu s LYS 56 Cb 0.03 -2.66 0.00 0.00 -1.51 0.00 0.00 37.83 33.69 2bbu s LYS 56 CO 0.18 0.02 0.00 2.41 -0.36 0.00 0.00 175.35 177.60 2bbu n THR 57 N 4.06 0.00 0.17 3.43 -1.04 -1.26 -4.68 114.28 114.97 2bbu n THR 57 Ca -0.19 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.88 2bbu n THR 57 Cb 0.52 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 69.11 2bbu n THR 57 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 2bbu h GLN 58 N 0.00 0.00 -0.37 -2.82 4.20 -1.99 -3.14 115.11 110.99 2bbu h GLN 58 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2bbu h GLN 58 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2bbu h GLN 58 CO 0.00 0.32 0.00 0.45 -0.67 0.00 0.00 178.83 178.93 2bbu n SER 59 N -3.18 0.71 0.00 1.46 2.88 -1.26 -4.97 113.62 109.26 2bbu n SER 59 Ca 0.03 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.54 2bbu n SER 59 Cb 0.66 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2bbu n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2bbu n GLY 60 N 0.42 -1.99 3.59 0.46 0.00 -1.19 -4.83 105.19 101.65 2bbu n GLY 60 Ca 0.02 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.67 4.08 0.22 2.61 -1.32 -1.26 -4.53 115.64 113.78 2bbu s THR 61 Ca 0.00 1.06 0.08 0.00 -1.21 0.00 0.00 61.69 61.61 2bbu s THR 61 Cb 0.00 -4.55 -0.04 0.00 -1.51 0.00 0.00 72.50 66.40 2bbu s THR 61 CO 0.00 -1.06 0.08 -0.54 -2.21 0.00 0.00 174.62 170.89 2bbu s LYS 62 N 4.74 2.61 0.14 7.08 -0.14 -1.25 -4.82 119.74 128.09 2bbu s LYS 62 Ca 0.50 -1.15 0.07 0.00 -1.36 0.00 0.00 55.97 54.03 2bbu s LYS 62 Cb -0.08 -2.41 -0.04 0.00 -1.68 0.00 0.00 37.83 33.62 2bbu s LYS 62 CO 0.30 0.42 -0.05 1.21 -0.76 0.00 0.00 175.35 176.46 2bbu s ASN 63 N -3.46 4.57 -0.08 2.83 3.04 -1.26 -3.73 114.94 116.85 2bbu s ASN 63 Ca 0.31 -0.40 -0.02 0.00 0.04 0.00 0.00 52.86 52.79 2bbu s ASN 63 Cb -0.08 -0.92 0.04 0.00 -1.54 0.00 0.00 41.25 38.75 2bbu s ASN 63 CO 0.22 0.13 0.05 -0.76 -3.04 0.00 0.00 177.10 173.70 2bbu s LEU 64 N -2.57 0.36 0.50 3.21 1.43 -0.45 -4.88 118.68 116.28 2bbu s LEU 64 Ca 0.25 -0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 53.06 2bbu s LEU 64 Cb -0.10 -0.26 -0.07 0.00 0.03 0.00 0.00 46.19 45.79 2bbu s LEU 64 CO 0.16 -0.26 0.93 0.00 0.23 0.00 0.00 176.35 177.42 2bbu s ARG 65 N 2.09 3.83 0.28 1.70 1.70 -1.26 0.16 118.95 127.46 2bbu s ARG 65 Ca 0.04 0.77 -0.29 0.00 -0.47 0.00 0.00 55.73 55.78 2bbu s ARG 65 Cb -0.13 -2.20 -0.09 0.00 -0.57 0.00 0.00 34.95 31.96 2bbu s ARG 65 CO -0.05 -0.26 1.01 -1.50 -1.08 0.00 0.00 175.30 173.42 2bbu s ILE 66 N -2.66 3.82 -0.10 4.99 -1.16 0.81 -4.89 121.20 122.00 2bbu s ILE 66 Ca 0.56 1.75 -0.16 0.00 -0.51 0.00 0.00 60.65 62.29 2bbu s ILE 66 Cb -0.10 -4.09 -0.05 0.00 0.61 0.00 0.00 42.46 38.84 2bbu s ILE 66 CO 0.36 0.36 0.41 -1.10 -2.81 0.00 0.00 174.94 172.15 2bbu s GLN 67 N -1.50 4.21 -0.25 3.50 -0.21 0.39 -4.71 119.66 121.09 2bbu s GLN 67 Ca 0.45 0.34 -0.05 0.00 0.02 0.00 0.00 55.36 56.11 2bbu s GLN 67 Cb -0.27 -3.38 -0.01 0.00 1.00 0.00 0.00 33.01 30.35 2bbu s GLN 67 CO 0.34 0.32 0.02 0.00 -2.12 0.00 0.00 175.29 173.85 2bbu s GLU 69 N 1.52 0.71 0.00 0.00 0.41 -0.36 -4.79 118.70 116.20 2bbu s GLU 69 Ca 0.05 -0.76 0.00 0.00 -0.41 0.00 0.00 54.97 53.85 2bbu s GLU 69 Cb -0.15 -2.02 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 2bbu s GLU 69 CO 0.00 -0.82 0.00 0.41 -0.49 0.00 0.00 175.26 174.36 2bbu n GLY 70 N 4.95 0.83 3.29 -1.39 0.00 -1.26 -3.35 105.19 108.26 2bbu n GLY 70 Ca -0.06 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.64 0.71 3.90 -0.02 0.00 -1.26 -4.98 105.19 102.89 2bbu n GLY 71 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2bbu n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bbu s SER 72 N -2.71 5.65 0.07 1.61 1.04 -1.21 -4.75 113.70 113.39 2bbu s SER 72 Ca 0.00 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.19 2bbu s SER 72 Cb 0.00 -1.25 -0.04 0.00 0.10 0.00 0.00 66.02 64.83 2bbu s SER 72 CO 0.00 -0.26 -0.06 -0.36 0.98 0.00 0.00 173.24 173.54 2bbu s PHE 73 N -2.19 2.87 -0.06 5.02 0.40 -1.26 -1.22 117.98 121.54 2bbu s PHE 73 Ca 0.39 -0.07 -0.05 0.00 -0.60 0.00 0.00 56.93 56.60 2bbu s PHE 73 Cb -0.08 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 41.95 2bbu s PHE 73 CO 0.28 0.43 0.16 -1.12 0.70 0.00 0.00 175.22 175.67 2bbu s SER 74 N -1.98 -0.16 0.00 1.36 0.01 0.54 -4.56 113.70 108.90 2bbu s SER 74 Ca 0.21 0.33 0.05 0.00 1.31 0.00 0.00 55.95 57.86 2bbu s SER 74 Cb -0.11 0.32 0.01 0.00 0.21 0.00 0.00 66.02 66.44 2bbu s SER 74 CO 0.13 -0.07 0.51 -0.11 0.41 0.00 0.00 173.24 174.12 2bbu n LEU 75 N 3.17 1.04 0.00 2.44 7.94 -1.26 0.15 117.00 130.47 2bbu n LEU 75 Ca -0.14 -0.83 0.00 0.00 -1.11 0.00 0.00 56.01 53.93 2bbu n LEU 75 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 2bbu n LEU 75 CO 0.20 0.22 0.00 0.00 -1.11 0.00 0.00 177.39 176.70 2bbu n GLN 76 N -0.18 3.00 -0.60 1.96 3.00 -1.26 -4.96 117.38 118.34 2bbu n GLN 76 Ca 0.02 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2bbu n GLN 76 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 30.24 30.36 2bbu n GLN 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2bbu n SER 77 N 0.00 -0.03 -4.17 1.08 2.88 -1.26 -4.98 113.62 107.14 2bbu n SER 77 Ca 0.00 -0.14 -0.32 0.00 -1.33 0.00 0.00 58.87 57.07 2bbu n SER 77 Cb 0.00 0.01 -0.17 0.00 -0.75 0.00 0.00 64.21 63.31 2bbu n SER 77 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2bbu s ASP 78 N -0.03 3.10 -0.42 -3.46 1.11 -1.26 -5.01 116.67 110.71 2bbu s ASP 78 Ca 0.00 -0.60 -0.05 0.00 0.18 0.00 0.00 52.55 52.08 2bbu s ASP 78 Cb 0.00 -1.44 -0.13 0.00 1.07 0.00 0.00 42.92 42.42 2bbu s ASP 78 CO -0.00 0.08 2.46 -0.81 1.18 0.00 0.00 175.17 178.08 2bbu n PRO 79 N 4.07 1.76 -0.32 8.23 -0.04 -1.26 -4.46 135.00 142.97 2bbu n PRO 79 Ca -0.20 -1.04 0.03 0.00 -0.04 0.00 0.00 63.50 62.25 2bbu n PRO 79 Cb 0.52 -2.10 0.15 0.00 -0.04 0.00 0.00 33.50 32.02 2bbu n PRO 79 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bbu n ARG 80 N 3.22 2.39 -4.32 0.54 1.74 -1.26 -4.87 116.66 114.10 2bbu n ARG 80 Ca 0.38 -1.17 -0.37 0.00 -0.77 0.00 0.00 57.85 55.92 2bbu n ARG 80 Cb 0.43 -1.73 -0.05 0.00 -1.02 0.00 0.00 32.46 30.08 2bbu n ARG 80 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2bbu n SER 81 N 0.24 -2.00 -0.14 0.55 3.41 -1.26 -4.75 113.62 109.67 2bbu n SER 81 Ca 0.10 -1.12 0.01 0.00 -0.26 0.00 0.00 58.87 57.60 2bbu n SER 81 Cb 0.57 -2.26 0.03 0.00 -0.26 0.00 0.00 64.21 62.29 2bbu n SER 81 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2bbu n THR 82 N -4.30 0.10 -1.60 6.66 5.66 -1.26 -5.00 114.28 114.53 2bbu n THR 82 Ca 0.00 -0.09 0.17 0.00 -3.05 0.00 0.00 64.05 61.08 2bbu n THR 82 Cb 0.52 0.03 -0.04 0.00 -1.55 0.00 0.00 70.33 69.30 2bbu n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2bbu n GLN 83 N -0.29 -2.47 -1.29 1.09 3.00 -1.26 -4.85 117.38 111.31 2bbu n GLN 83 Ca 0.02 1.62 -0.30 0.00 -0.01 0.00 0.00 57.00 58.34 2bbu n GLN 83 Cb 0.06 -3.01 0.24 0.00 0.00 0.00 0.00 30.24 27.53 2bbu n GLN 83 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2bbu n PRO 84 N -3.81 -2.59 -4.49 -1.09 -0.04 -1.26 -5.05 135.00 116.66 2bbu n PRO 84 Ca 0.01 -1.84 -0.33 0.00 -0.04 0.00 0.00 63.50 61.31 2bbu n PRO 84 Cb 0.56 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 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 -3.25 3.71 0.26 0.52 -7.23 -1.26 -5.09 120.40 108.05 2bbu s VAL 85 Ca 0.72 -0.67 -0.30 0.00 -1.81 0.00 0.00 61.98 59.92 2bbu s VAL 85 Cb -0.05 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.21 2bbu s VAL 85 CO 0.54 0.45 1.16 -2.16 -0.31 0.00 0.00 175.10 174.78 2bbu s PRO 86 N -1.25 4.56 -1.01 4.82 0.04 -1.26 -3.11 135.00 137.79 2bbu s PRO 86 Ca 0.16 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2bbu s PRO 86 Cb -0.11 -3.19 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2bbu s PRO 86 CO 0.06 0.07 0.00 -2.13 0.04 0.00 0.00 177.00 175.03 2bbu n ARG 87 N 1.57 -0.89 -3.93 4.56 3.00 -1.26 -3.39 116.66 116.32 2bbu n ARG 87 Ca 0.01 0.60 -0.29 0.00 -0.00 0.00 0.00 57.85 58.17 2bbu n ARG 87 Cb 0.44 -4.71 -0.07 0.00 0.00 0.00 0.00 32.46 28.12 2bbu n ARG 87 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.63 179.60 2bbu n PHE 88 N -3.80 -0.96 -2.22 -0.14 1.16 -1.18 -4.75 117.46 105.56 2bbu n PHE 88 Ca -0.13 0.51 -0.43 0.00 -1.87 0.00 0.00 57.45 55.53 2bbu n PHE 88 Cb 0.57 -1.87 -0.02 0.00 -1.61 0.00 0.00 39.48 36.54 2bbu n PHE 88 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 2bbu s ASP 89 N -3.49 6.18 0.00 5.98 -1.08 -1.22 -4.39 116.67 118.64 2bbu s ASP 89 Ca 0.30 1.02 0.00 0.00 -0.52 0.00 0.00 52.55 53.35 2bbu s ASP 89 Cb -0.18 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.75 2bbu s ASP 89 CO 0.80 -1.53 0.00 0.00 0.52 0.00 0.00 175.17 174.96 2bbu h VAL 91 N 0.00 0.66 -0.31 0.00 -1.51 -1.91 3.07 116.25 116.26 2bbu h VAL 91 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.45 2bbu h VAL 91 Cb 0.00 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 29.81 2bbu h VAL 91 CO 0.00 0.00 0.12 -0.07 -1.23 0.00 0.00 177.57 176.39 2bbu h LEU 92 N -0.11 0.43 -1.55 4.19 3.38 -1.91 -2.02 115.31 117.72 2bbu h LEU 92 Ca 0.10 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2bbu h LEU 92 Cb 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2bbu h LEU 92 CO -0.24 0.49 -0.23 0.50 0.09 0.00 0.00 178.44 179.04 2bbu h LYS 93 N 0.35 0.00 -0.59 1.13 3.64 -1.71 -2.69 116.57 116.70 2bbu h LYS 93 Ca 0.10 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 2bbu h LYS 93 Cb 0.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 2bbu h LYS 93 CO -0.01 0.23 0.40 -0.07 -2.27 0.00 0.00 179.45 177.73 2bbu h LEU 94 N 0.00 0.48 -1.02 5.20 3.38 0.63 -1.06 115.31 122.93 2bbu h LEU 94 Ca -0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 2bbu h LEU 94 Cb 0.43 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 2bbu h LEU 94 CO 0.03 0.31 0.63 -0.37 0.09 0.00 0.00 178.44 179.13 2bbu h VAL 95 N 0.55 0.89 -0.00 1.22 -1.51 -1.42 0.46 116.25 116.43 2bbu h VAL 95 Ca 0.26 -0.33 -0.09 0.00 -1.23 0.00 0.00 66.70 65.31 2bbu h VAL 95 Cb 0.32 -0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 29.31 2bbu h VAL 95 CO -0.08 0.18 -0.43 -0.74 -1.23 0.00 0.00 177.57 175.27 2bbu h HIS 96 N 0.96 0.00 -0.93 5.19 -0.00 -1.37 -2.85 115.15 116.15 2bbu h HIS 96 Ca 0.51 -0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.96 2bbu h HIS 96 Cb 0.55 -0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.89 2bbu h HIS 96 CO -0.00 0.43 0.60 1.25 -0.00 0.00 0.00 177.93 180.21 2bbu h HIS 97 N 0.00 1.06 0.00 5.26 6.17 0.11 0.18 115.15 127.92 2bbu h HIS 97 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.10 2bbu h HIS 97 Cb 0.76 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 30.35 2bbu h HIS 97 CO 0.00 0.52 0.00 0.66 0.71 0.00 0.00 177.93 179.82 2bbu n TYR 98 N -4.51 0.00 0.00 5.26 4.01 -1.08 -4.63 117.16 116.21 2bbu n TYR 98 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2bbu n TYR 98 Cb 0.24 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 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 -1.03 0.00 -2.49 -0.72 1.56 0.61 -4.47 117.12 110.58 2bbu n MET 99 Ca 0.16 0.00 -0.41 0.00 -0.27 0.00 0.00 57.70 57.18 2bbu n MET 99 Cb 0.09 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.41 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 4.63 0.82 2.12 0.04 -1.17 -4.60 135.00 136.84 2bbu s PRO 100 Ca 0.00 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 62.70 2bbu s PRO 100 Cb 0.00 -3.22 0.09 0.00 0.04 0.00 0.00 34.50 31.40 2bbu s PRO 100 CO 0.00 0.17 1.10 -1.25 0.04 0.00 0.00 177.00 177.06 2bbu s PRO 101 N -1.06 1.86 0.94 0.56 0.04 -1.26 -5.04 135.00 131.04 2bbu s PRO 101 Ca 0.46 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 62.06 2bbu s PRO 101 Cb -0.31 -1.89 0.16 0.00 0.04 0.00 0.00 34.50 32.50 2bbu s PRO 101 CO 0.39 -1.79 1.12 -1.25 0.04 0.00 0.00 177.00 175.51 2bbu s PRO 102 N -5.10 0.90 0.00 0.56 0.04 -1.26 -4.62 135.00 125.52 2bbu s PRO 102 Ca 0.61 0.40 0.00 0.00 0.04 0.00 0.00 61.00 62.05 2bbu s PRO 102 Cb -0.15 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2bbu s PRO 102 CO 0.55 -2.39 0.00 0.41 0.04 0.00 0.00 177.00 175.61 2bbu n GLY 103 N -1.75 3.39 3.15 0.56 0.00 -1.26 -5.00 105.19 104.27 2bbu n GLY 103 Ca 0.06 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.43 2bbu n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bbu s THR 104 N 0.00 -0.94 -0.06 2.61 -4.23 -1.26 -5.04 115.64 106.72 2bbu s THR 104 Ca 0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 61.69 60.29 2bbu s THR 104 Cb 0.00 -0.94 -0.17 0.00 1.34 0.00 0.00 72.50 72.73 2bbu s THR 104 CO 0.00 0.00 0.89 1.55 -0.54 0.00 0.00 174.62 176.52 2bbu h PRO 105 N 7.94 -0.15 0.00 3.99 0.13 -1.94 -3.44 132.00 138.52 2bbu h PRO 105 Ca -0.03 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2bbu h PRO 105 Cb 1.19 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2bbu h PRO 105 CO 0.13 0.34 0.00 0.43 -0.23 0.00 0.00 178.00 178.67 2bbu n SER 106 N -4.87 0.00 -4.68 1.44 7.64 -1.26 -4.99 113.62 106.89 2bbu n SER 106 Ca -0.08 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.38 2bbu n SER 106 Cb 0.28 0.12 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 2bbu n SER 106 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2bbu s PHE 107 N -0.59 2.87 -1.18 1.43 0.40 -1.26 -4.94 117.98 114.71 2bbu s PHE 107 Ca 0.00 0.89 -0.15 0.00 -0.60 0.00 0.00 56.93 57.07 2bbu s PHE 107 Cb 0.00 -3.61 0.16 0.00 0.51 0.00 0.00 43.02 40.08 2bbu s PHE 107 CO 0.00 -2.20 1.43 -1.12 0.70 0.00 0.00 175.22 174.03 2bbu s SER 108 N 1.89 6.99 0.06 1.36 0.01 -1.26 -4.98 113.70 117.77 2bbu s SER 108 Ca 0.62 -2.82 0.05 0.00 1.31 0.00 0.00 55.95 55.10 2bbu s SER 108 Cb -0.29 -2.42 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 2bbu s SER 108 CO 0.24 -0.83 -0.06 -1.48 0.41 0.00 0.00 173.24 171.53 2bbu s LEU 109 N 1.99 3.22 0.23 2.44 2.34 -1.26 -5.09 118.68 122.55 2bbu s LEU 109 Ca 0.43 -0.22 -0.30 0.00 0.06 0.00 0.00 54.13 54.10 2bbu s LEU 109 Cb -0.02 -1.93 -0.09 0.00 -0.56 0.00 0.00 46.19 43.59 2bbu s LEU 109 CO -0.00 0.22 1.17 -2.16 -1.06 0.00 0.00 176.35 174.52 2bbu s PRO 110 N -1.89 4.53 -1.13 1.48 0.04 -1.26 -4.92 135.00 131.86 2bbu s PRO 110 Ca 0.21 1.87 -0.21 0.00 0.04 0.00 0.00 61.00 62.91 2bbu s PRO 110 Cb -0.11 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 2bbu s PRO 110 CO 0.12 0.01 1.92 -0.35 0.04 0.00 0.00 177.00 178.74 2bbu n PRO 111 N 1.95 2.01 -2.60 0.56 -0.04 -1.26 -4.93 135.00 130.69 2bbu n PRO 111 Ca 0.02 -2.50 -0.43 0.00 -0.04 0.00 0.00 63.50 60.55 2bbu n PRO 111 Cb 0.45 -3.45 -0.02 0.00 -0.04 0.00 0.00 33.50 30.43 2bbu n PRO 111 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2bbu s THR 112 N 7.57 4.57 -0.10 0.52 -4.23 -1.26 -5.00 115.64 117.71 2bbu s THR 112 Ca 0.61 1.89 -0.03 0.00 -1.18 0.00 0.00 61.69 62.98 2bbu s THR 112 Cb 0.05 -4.22 0.05 0.00 1.34 0.00 0.00 72.50 69.73 2bbu s THR 112 CO 0.10 -0.13 0.15 -1.83 -0.54 0.00 0.00 174.62 172.37 2bbu s GLU 113 N 3.03 0.04 0.03 3.99 -1.05 -1.26 -5.03 118.70 118.46 2bbu s GLU 113 Ca 0.48 0.43 -0.19 0.00 -0.15 0.00 0.00 54.97 55.54 2bbu s GLU 113 Cb -0.18 -0.59 -0.18 0.00 -0.44 0.00 0.00 34.13 32.74 2bbu s GLU 113 CO 0.11 -0.39 1.22 -1.00 0.95 0.00 0.00 175.26 176.14 2bbu h PRO 114 N 8.37 0.45 -7.17 -4.83 0.13 -2.05 -3.45 132.00 123.45 2bbu h PRO 114 Ca -0.14 -0.36 -0.53 0.00 -0.87 0.00 0.00 66.00 64.10 2bbu h PRO 114 Cb 1.13 0.07 0.15 0.00 0.13 0.00 0.00 31.00 32.48 2bbu h PRO 114 CO 0.18 1.00 0.40 -1.54 -0.23 0.00 0.00 178.00 177.81 2bbu s SER 115 N -6.56 4.34 -0.44 1.44 1.04 -1.26 -4.91 113.70 107.35 2bbu s SER 115 Ca -0.13 2.34 0.04 0.00 0.48 0.00 0.00 55.95 58.67 2bbu s SER 115 Cb 0.05 -2.59 0.63 0.00 0.10 0.00 0.00 66.02 64.21 2bbu s SER 115 CO 0.81 -2.16 1.88 -0.24 0.98 0.00 0.00 173.24 174.50 2bbu n SER 116 N -2.59 3.88 -0.18 7.02 2.88 -1.26 -4.67 113.62 118.71 2bbu n SER 116 Ca 0.13 -3.53 -0.05 0.00 -1.33 0.00 0.00 58.87 54.08 2bbu n SER 116 Cb 0.50 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 2bbu n SER 116 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2bbu h GLU 117 N 0.99 -0.17 -0.68 -1.46 5.08 -1.96 -3.38 114.58 113.00 2bbu h GLU 117 Ca 0.61 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.87 2bbu h GLU 117 Cb 2.70 0.04 -0.16 0.00 0.50 0.00 0.00 28.75 31.83 2bbu h GLU 117 CO 1.07 -0.11 -0.38 1.55 -1.00 0.00 0.00 179.01 180.14 2bbu n VAL 118 N -5.43 0.00 -0.02 3.13 3.14 -1.26 -5.15 118.33 112.74 2bbu n VAL 118 Ca 0.03 -0.81 0.00 0.00 -2.96 0.00 0.00 64.34 60.60 2bbu n VAL 118 Cb 0.35 0.93 0.00 0.00 -1.06 0.00 0.00 33.84 34.06 2bbu n VAL 118 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2bbu n PRO 119 N 2.71 0.94 -1.51 1.45 -0.04 -1.26 -4.94 135.00 132.34 2bbu n PRO 119 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2bbu n PRO 119 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 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 -0.05 -4.00 -3.15 0.54 0.00 -1.26 -5.05 120.64 107.67 2bbu n GLU 120 Ca 0.00 2.92 0.04 0.00 0.00 0.00 0.00 57.16 60.12 2bbu n GLU 120 Cb 0.00 -3.11 -0.01 0.00 0.00 0.00 0.00 31.44 28.33 2bbu n GLU 120 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.13 175.99 2bbu s GLN 121 N -1.95 0.49 0.03 5.31 2.00 -1.26 -5.13 119.66 119.15 2bbu s GLN 121 Ca 0.00 0.70 -0.30 0.00 -2.00 0.00 0.00 55.36 53.75 2bbu s GLN 121 Cb 0.00 0.37 -0.05 0.00 0.80 0.00 0.00 33.01 34.12 2bbu s GLN 121 CO 0.00 -0.71 1.27 -1.25 -0.50 0.00 0.00 175.29 174.10 2bbu s PRO 122 N 2.87 4.37 -0.46 1.67 0.04 -1.26 -4.89 135.00 137.34 2bbu s PRO 122 Ca 0.15 1.83 -0.05 0.00 0.04 0.00 0.00 61.00 62.97 2bbu s PRO 122 Cb -0.12 -3.42 -0.13 0.00 0.04 0.00 0.00 34.50 30.88 2bbu s PRO 122 CO -0.22 -0.38 2.48 -0.35 0.04 0.00 0.00 177.00 178.57 2bbu n PRO 123 N 4.46 1.82 0.00 0.56 -0.04 -1.26 -4.93 135.00 135.61 2bbu n PRO 123 Ca 0.11 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.49 2bbu n PRO 123 Cb 0.45 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 2bbu n PRO 123 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu n ALA 124 N 3.24 0.00 -0.04 0.55 0.00 -1.26 -3.97 120.51 119.04 2bbu n ALA 124 Ca 0.39 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.68 2bbu n ALA 124 Cb 0.42 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.73 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 0.00 0.69 -2.93 0.00 6.02 -1.26 -5.01 117.38 114.89 2bbu n GLN 125 Ca 0.00 0.22 -0.11 0.00 -0.01 0.00 0.00 57.00 57.10 2bbu n GLN 125 Cb 0.00 -1.69 0.06 0.00 1.02 0.00 0.00 30.24 29.63 2bbu n GLN 125 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2bbu n ALA 126 N -2.84 -1.39 0.18 -1.58 0.00 -1.25 -4.95 120.51 108.67 2bbu n ALA 126 Ca -0.29 -0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.00 2bbu n ALA 126 Cb 1.06 -1.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.44 2bbu n ALA 126 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2bbu h LEU 127 N -1.21 -0.40 0.00 0.00 5.85 -1.95 -3.41 115.31 114.18 2bbu h LEU 127 Ca -0.39 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.17 2bbu h LEU 127 Cb 1.22 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2bbu h LEU 127 CO 0.33 -0.01 0.00 -0.81 -0.34 0.00 0.00 178.44 177.61 2bbu n PRO 128 N -5.15 0.00 -3.25 5.25 -0.04 -1.26 -5.10 135.00 125.45 2bbu n PRO 128 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2bbu n PRO 128 Cb 0.28 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.56 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 1.95 -1.01 0.00 0.55 0.00 -1.26 -5.15 105.19 100.26 2bbu n GLY 129 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 0.48 -1.57 -3.18 1.61 7.64 -1.26 -4.54 113.62 112.80 2bbu n SER 130 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 2bbu n SER 130 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 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 -2.60 -3.75 -1.36 0.44 -2.24 -1.26 -4.92 114.28 98.58 2bbu n THR 131 Ca 0.00 0.61 -0.29 0.00 -2.27 0.00 0.00 64.05 62.10 2bbu n THR 131 Cb 0.00 -3.67 0.18 0.00 -2.10 0.00 0.00 70.33 64.74 2bbu n THR 131 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2bbu s PRO 132 N -1.34 0.24 -1.13 -0.78 0.04 -1.26 -4.97 135.00 125.80 2bbu s PRO 132 Ca 0.07 0.16 -0.08 0.00 0.04 0.00 0.00 61.00 61.19 2bbu s PRO 132 Cb -0.01 -1.75 0.27 0.00 0.04 0.00 0.00 34.50 33.06 2bbu s PRO 132 CO 0.25 -2.78 1.26 1.63 0.04 0.00 0.00 177.00 177.41 2bbu n LYS 133 N -4.15 3.74 -4.01 4.56 4.01 -1.26 -4.95 118.16 116.10 2bbu n LYS 133 Ca 0.09 -4.38 -0.31 0.00 -0.51 0.00 0.00 58.31 53.20 2bbu n LYS 133 Cb 0.59 -2.61 -0.15 0.00 -0.51 0.00 0.00 35.03 32.35 2bbu n LYS 133 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2bbu s ARG 134 N -1.25 1.54 0.00 1.97 3.52 -1.26 -4.91 118.95 118.57 2bbu s ARG 134 Ca 0.33 -1.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.18 2bbu s ARG 134 Cb -0.05 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 2bbu s ARG 134 CO -0.03 -0.88 0.00 0.00 -0.81 0.00 0.00 175.30 173.58 2bbu n ALA 135 N 4.32 0.00 -2.79 6.12 0.00 -1.26 -5.13 120.51 121.77 2bbu n ALA 135 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.09 2bbu n ALA 135 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 2bbu n ALA 135 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2bbu s TYR 136 N 0.00 3.23 0.22 0.00 1.13 -1.26 -5.00 117.35 115.67 2bbu s TYR 136 Ca 0.00 0.02 -0.18 0.00 -1.41 0.00 0.00 57.07 55.50 2bbu s TYR 136 Cb 0.00 -2.21 0.02 0.00 -1.10 0.00 0.00 41.96 38.67 2bbu s TYR 136 CO 0.00 -0.03 0.56 1.52 -2.51 0.00 0.00 175.55 175.09 2bbu s TYR 137 N 1.05 -0.07 0.06 -3.49 -0.85 -1.26 -2.85 117.35 109.93 2bbu s TYR 137 Ca 0.06 -0.29 0.01 0.00 -0.52 0.00 0.00 57.07 56.32 2bbu s TYR 137 Cb -0.14 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 2bbu s TYR 137 CO 0.04 -0.99 0.15 0.42 -1.52 0.00 0.00 175.55 173.65 2bbu s ILE 138 N -3.90 5.01 -0.14 -3.49 1.01 -0.67 -4.87 121.20 114.15 2bbu s ILE 138 Ca 0.11 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 2bbu s ILE 138 Cb -0.02 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2bbu s ILE 138 CO 0.01 0.16 0.23 -0.31 0.00 0.00 0.00 174.94 175.02 2bbu s TYR 139 N -1.43 3.51 -0.17 3.97 1.51 -1.26 -0.73 117.35 122.74 2bbu s TYR 139 Ca 0.32 0.55 0.01 0.00 -1.01 0.00 0.00 57.07 56.94 2bbu s TYR 139 Cb -0.13 -2.19 0.02 0.00 -0.11 0.00 0.00 41.96 39.55 2bbu s TYR 139 CO 0.24 0.41 -0.18 -1.54 -1.11 0.00 0.00 175.55 173.38 2bbu s SER 140 N -0.08 3.05 -1.07 2.29 1.04 0.51 -4.81 113.70 114.63 2bbu s SER 140 Ca 0.15 -0.63 -0.21 0.00 0.48 0.00 0.00 55.95 55.73 2bbu s SER 140 Cb -0.13 -1.39 0.02 0.00 0.10 0.00 0.00 66.02 64.63 2bbu s SER 140 CO 0.03 -0.03 0.68 0.61 0.98 0.00 0.00 173.24 175.51 2bbu n GLY 141 N 4.66 -1.02 2.81 7.32 0.00 -1.26 0.21 105.19 117.91 2bbu n GLY 141 Ca -0.19 0.44 -0.08 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.89 0.74 3.38 -0.02 0.00 -1.26 -4.93 105.19 101.21 2bbu n GLY 142 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 2bbu n GLY 142 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bbu s GLU 143 N -2.62 3.50 -0.59 1.61 2.56 0.58 -5.06 118.70 118.69 2bbu s GLU 143 Ca 0.00 -0.57 -0.28 0.00 0.00 0.00 0.00 54.97 54.12 2bbu s GLU 143 Cb 0.00 -3.07 0.03 0.00 2.00 0.00 0.00 34.13 33.08 2bbu s GLU 143 CO 0.00 -0.12 1.23 0.15 -0.56 0.00 0.00 175.26 175.96 2bbu s LYS 144 N 1.32 3.46 -0.42 4.30 1.02 -1.26 0.19 119.74 128.35 2bbu s LYS 144 Ca 0.04 0.26 -0.17 0.00 0.02 0.00 0.00 55.97 56.12 2bbu s LYS 144 Cb -0.15 -4.04 0.02 0.00 -0.52 0.00 0.00 37.83 33.15 2bbu s LYS 144 CO -0.00 -1.75 0.42 0.42 -0.92 0.00 0.00 175.35 173.52 2bbu s ILE 145 N 5.18 5.11 0.08 2.17 1.09 0.09 -4.95 121.20 129.96 2bbu s ILE 145 Ca 0.44 -0.43 -0.31 0.00 -1.10 0.00 0.00 60.65 59.26 2bbu s ILE 145 Cb -0.08 -4.04 -0.07 0.00 -1.06 0.00 0.00 42.46 37.22 2bbu s ILE 145 CO 0.25 -0.43 1.30 -2.16 -0.10 0.00 0.00 174.94 173.80 2bbu s PRO 146 N 2.07 4.36 -0.05 2.79 0.04 -1.26 -1.67 135.00 141.28 2bbu s PRO 146 Ca 0.11 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.12 2bbu s PRO 146 Cb -0.18 -3.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.03 2bbu s PRO 146 CO 0.13 -0.37 -0.19 -0.51 0.04 0.00 0.00 177.00 176.09 2bbu s LEU 147 N 1.25 1.95 -0.17 -3.56 1.02 -1.13 -4.91 118.68 113.13 2bbu s LEU 147 Ca 0.62 -0.40 0.01 0.00 0.02 0.00 0.00 54.13 54.37 2bbu s LEU 147 Cb -0.33 -1.09 0.03 0.00 0.02 0.00 0.00 46.19 44.82 2bbu s LEU 147 CO 0.29 0.17 -0.14 0.68 0.02 0.00 0.00 176.35 177.38 2bbu s VAL 148 N 0.01 1.65 0.63 -1.59 -7.23 -1.26 -4.19 120.40 108.43 2bbu s VAL 148 Ca -0.05 -0.78 -0.13 0.00 -1.81 0.00 0.00 61.98 59.22 2bbu s VAL 148 Cb -0.12 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 2bbu s VAL 148 CO 0.03 0.38 1.05 -0.76 -0.31 0.00 0.00 175.10 175.49 2bbu s LEU 149 N 1.44 3.31 0.00 1.32 1.02 -1.26 -5.01 118.68 119.49 2bbu s LEU 149 Ca 0.03 1.64 0.00 0.00 0.02 0.00 0.00 54.13 55.82 2bbu s LEU 149 Cb -0.14 -4.50 0.00 0.00 0.02 0.00 0.00 46.19 41.57 2bbu s LEU 149 CO -0.10 -1.18 0.00 -1.54 0.02 0.00 0.00 176.35 173.54 2bbu n SER 150 N -2.58 0.00 -4.63 2.29 3.41 -1.26 -4.83 113.62 106.01 2bbu n SER 150 Ca 0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.34 2bbu n SER 150 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.60 3.69 0.41 4.33 0.52 -1.08 -4.93 118.95 121.29 2bbu s ARG 151 Ca 0.00 -0.38 -0.23 0.00 -0.52 0.00 0.00 55.73 54.61 2bbu s ARG 151 Cb 0.00 -3.07 -0.10 0.00 0.52 0.00 0.00 34.95 32.30 2bbu s ARG 151 CO 0.00 0.38 0.99 -1.25 0.02 0.00 0.00 175.30 175.44 2bbu s PRO 152 N 0.03 4.21 -0.33 3.54 0.04 -1.26 0.22 135.00 141.44 2bbu s PRO 152 Ca 0.04 1.29 -0.25 0.00 0.04 0.00 0.00 61.00 62.13 2bbu s PRO 152 Cb -0.12 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.06 2bbu s PRO 152 CO 0.01 -0.07 0.86 -1.17 0.04 0.00 0.00 177.00 176.68 2bbu s LEU 153 N -2.89 4.05 -0.03 -3.56 0.20 0.14 -4.73 118.68 111.87 2bbu s LEU 153 Ca 0.60 0.64 0.02 0.00 0.69 0.00 0.00 54.13 56.08 2bbu s LEU 153 Cb -0.15 -3.17 -0.03 0.00 -0.43 0.00 0.00 46.19 42.40 2bbu s LEU 153 CO 0.20 -0.73 -0.06 -0.44 -0.29 0.00 0.00 176.35 175.02 2bbu s SER 154 N 1.72 4.66 0.20 3.68 0.01 -1.26 -4.14 113.70 118.58 2bbu s SER 154 Ca 0.35 -0.08 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2bbu s SER 154 Cb -0.13 -1.13 -0.05 0.00 0.21 0.00 0.00 66.02 64.92 2bbu s SER 154 CO 0.15 0.32 0.08 -0.55 0.41 0.00 0.00 173.24 173.64 2bbu s SER 155 N -1.16 0.81 0.00 2.44 0.15 -0.85 -5.00 113.70 110.09 2bbu s SER 155 Ca 0.15 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.49 2bbu s SER 155 Cb -0.11 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 2bbu s SER 155 CO 0.05 -0.72 0.25 0.59 1.20 0.00 0.00 173.24 174.61