#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 0.74 -0.79 4.31 -0.00 -1.86 -2.37 116.97 117.00 2bbu h TYR 2 Ca 0.00 -0.06 0.11 0.00 -0.00 0.00 0.00 58.73 58.78 2bbu h TYR 2 Cb 0.00 -0.22 -0.06 0.00 -0.00 0.00 0.00 36.73 36.45 2bbu h TYR 2 CO 0.00 0.63 0.52 0.37 -0.00 0.00 0.00 178.16 179.68 2bbu h GLN 3 N 0.71 0.64 -0.41 0.10 5.75 -1.93 -0.95 115.11 119.02 2bbu h GLN 3 Ca 0.16 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.58 2bbu h GLN 3 Cb 0.26 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 2bbu h GLN 3 CO -0.00 0.43 0.11 -0.07 -2.65 0.00 0.00 178.83 176.65 2bbu h LEU 4 N 0.66 0.61 -0.09 -2.39 3.38 -1.85 -0.80 115.31 114.82 2bbu h LEU 4 Ca 0.38 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 2bbu h LEU 4 Cb 0.55 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2bbu h LEU 4 CO -0.15 0.67 -0.01 0.58 0.09 0.00 0.00 178.44 179.62 2bbu h VAL 5 N 0.52 1.27 -0.84 1.22 2.07 -1.30 -0.27 116.25 118.91 2bbu h VAL 5 Ca 0.13 -0.85 0.03 0.00 0.82 0.00 0.00 66.70 66.83 2bbu h VAL 5 Cb 0.29 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 2bbu h VAL 5 CO -0.00 0.24 0.54 0.58 0.02 0.00 0.00 177.57 178.95 2bbu h VAL 6 N -0.13 1.14 -0.04 2.57 2.07 -1.17 0.34 116.25 121.04 2bbu h VAL 6 Ca 0.03 -0.36 -0.13 0.00 0.82 0.00 0.00 66.70 67.05 2bbu h VAL 6 Cb 0.38 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.12 2bbu h VAL 6 CO 0.01 0.19 -0.56 -1.13 0.02 0.00 0.00 177.57 176.10 2bbu h ASN 7 N 1.06 0.12 0.01 0.57 -0.73 -1.06 -2.88 115.58 112.68 2bbu h ASN 7 Ca 0.33 -0.07 -0.15 0.00 1.87 0.00 0.00 56.30 58.28 2bbu h ASN 7 Cb -0.01 -0.04 0.01 0.00 0.27 0.00 0.00 38.32 38.56 2bbu h ASN 7 CO -0.11 0.66 -0.61 0.00 -0.37 0.00 0.00 177.43 177.00 2bbu h ALA 8 N 1.34 0.07 -0.92 1.57 0.00 -0.07 -3.24 119.26 118.02 2bbu h ALA 8 Ca -0.00 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.40 2bbu h ALA 8 Cb 1.01 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2bbu h ALA 8 CO 0.08 0.35 0.59 -0.39 0.00 0.00 0.00 179.25 179.88 2bbu h VAL 9 N -0.12 1.05 -0.96 0.00 -1.51 -0.37 -0.66 116.25 113.68 2bbu h VAL 9 Ca -0.08 -0.35 0.11 0.00 -1.23 0.00 0.00 66.70 65.15 2bbu h VAL 9 Cb 1.33 -0.06 -0.08 0.00 -2.13 0.00 0.00 31.29 30.34 2bbu h VAL 9 CO 0.12 0.19 0.59 0.03 -1.23 0.00 0.00 177.57 177.27 2bbu h ARG 10 N 1.02 0.94 -0.22 5.19 3.08 -1.53 1.43 114.38 124.28 2bbu h ARG 10 Ca 0.40 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.25 2bbu h ARG 10 Cb 0.24 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2bbu h ARG 10 CO -0.16 0.62 -0.42 0.87 -1.07 0.00 0.00 179.97 179.81 2bbu h LYS 11 N 0.97 0.68 -0.24 0.04 1.79 -1.20 -0.94 116.57 117.66 2bbu h LYS 11 Ca 0.47 -0.43 -0.20 0.00 -2.18 0.00 0.00 60.65 58.31 2bbu h LYS 11 Cb 0.42 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2bbu h LYS 11 CO -0.25 1.05 -0.62 1.25 -1.08 0.00 0.00 179.45 179.80 2bbu h LEU 12 N 0.38 0.96 -0.92 2.94 5.85 -0.51 -3.14 115.31 120.87 2bbu h LEU 12 Ca 0.01 -0.57 -0.10 0.00 0.84 0.00 0.00 57.88 58.06 2bbu h LEU 12 Cb 1.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2bbu h LEU 12 CO 0.09 1.36 -0.34 0.06 -0.34 0.00 0.00 178.44 179.27 2bbu h GLN 13 N 0.61 0.38 -0.03 1.25 3.07 0.19 -2.54 115.11 118.03 2bbu h GLN 13 Ca -0.01 -0.16 0.01 0.00 0.09 0.00 0.00 58.65 58.58 2bbu h GLN 13 Cb 1.24 -0.01 -0.00 0.00 0.08 0.00 0.00 27.48 28.78 2bbu h GLN 13 CO 0.13 0.67 0.13 1.49 0.09 0.00 0.00 178.83 181.34 2bbu h GLU 14 N 0.32 0.00 0.00 0.06 4.22 -1.11 0.63 114.58 118.71 2bbu h GLU 14 Ca 0.04 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.39 2bbu h GLU 14 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 2bbu h GLU 14 CO 0.06 0.00 -0.42 1.03 -2.18 0.00 0.00 179.01 177.50 2bbu h SER 15 N 0.00 0.00 0.00 1.04 0.87 -1.53 -3.47 113.55 110.47 2bbu h SER 15 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2bbu h SER 15 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2bbu h SER 15 CO -0.00 0.42 0.00 0.61 -0.53 0.00 0.00 176.83 177.33 2bbu n GLY 16 N 0.20 1.22 0.00 5.77 0.00 0.21 -5.00 105.19 107.60 2bbu n GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.22 0.00 -3.62 1.61 7.35 -1.26 -4.64 117.46 116.69 2bbu n PHE 17 Ca 0.00 0.00 -0.37 0.00 -0.76 0.00 0.00 57.45 56.32 2bbu n PHE 17 Cb 0.00 0.01 -0.06 0.00 0.35 0.00 0.00 39.48 39.78 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 0.00 3.59 0.07 -5.13 6.14 -1.26 -4.40 117.35 116.36 2bbu s TYR 18 Ca 0.00 0.71 0.05 0.00 0.64 0.00 0.00 57.07 58.47 2bbu s TYR 18 Cb 0.00 -2.21 -0.04 0.00 0.42 0.00 0.00 41.96 40.13 2bbu s TYR 18 CO 0.00 0.52 -0.05 -1.58 0.64 0.00 0.00 175.55 175.08 2bbu s TRP 19 N -0.48 2.89 -0.23 4.97 0.52 -0.68 -4.98 118.94 120.96 2bbu s TRP 19 Ca 0.18 -0.07 -0.03 0.00 0.02 0.00 0.00 56.10 56.21 2bbu s TRP 19 Cb -0.14 -1.53 0.12 0.00 -1.15 0.00 0.00 33.47 30.77 2bbu s TRP 19 CO 0.07 0.44 0.31 -1.12 0.02 0.00 0.00 176.95 176.66 2bbu s SER 20 N -2.02 0.79 0.00 2.95 0.01 -1.26 -3.67 113.70 110.49 2bbu s SER 20 Ca 0.22 -0.00 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2bbu s SER 20 Cb -0.11 0.77 0.00 0.00 0.21 0.00 0.00 66.02 66.89 2bbu s SER 20 CO 0.14 -0.31 0.00 0.00 0.41 0.00 0.00 173.24 173.47 2bbu n ALA 21 N 5.34 0.00 -3.00 1.44 0.00 -1.26 -5.02 120.51 118.01 2bbu n ALA 21 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2bbu n ALA 21 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 0.00 -2.35 0.00 0.24 -1.26 -5.12 118.33 109.85 2bbu n VAL 22 Ca 0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.04 2bbu n VAL 22 Cb 0.00 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.41 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 0.91 3.32 0.00 3.34 2.01 -1.26 -4.64 115.64 119.32 2bbu s THR 23 Ca 0.00 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.94 2bbu s THR 23 Cb 0.00 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.17 2bbu s THR 23 CO 0.00 -0.36 0.68 0.61 -0.69 0.00 0.00 174.62 174.86 2bbu n GLY 24 N -2.66 -3.06 0.25 4.40 0.00 -1.26 0.15 105.19 103.00 2bbu n GLY 24 Ca 0.05 0.28 -0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 0.87 1.97 -0.02 0.00 -1.92 -1.20 103.07 102.78 2bbu h GLY 25 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2bbu h GLY 25 CO 0.00 0.35 0.01 -2.09 0.00 0.00 0.00 176.54 174.81 2bbu h GLU 26 N 0.82 0.00 0.06 4.80 4.81 -1.93 -0.21 114.58 122.93 2bbu h GLU 26 Ca 0.22 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.31 2bbu h GLU 26 Cb -0.03 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.36 2bbu h GLU 26 CO -0.04 0.00 -0.57 0.00 -0.73 0.00 0.00 179.01 177.66 2bbu h ALA 27 N 1.98 -0.02 -0.36 2.92 0.00 0.25 -3.17 119.26 120.88 2bbu h ALA 27 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.19 2bbu h ALA 27 Cb 0.03 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2bbu h ALA 27 CO -0.00 0.28 -0.25 -0.91 0.00 0.00 0.00 179.25 178.37 2bbu h ASN 28 N -0.39 0.84 -0.26 0.00 2.35 -0.89 -3.06 115.58 114.17 2bbu h ASN 28 Ca -0.09 -0.44 0.02 0.00 -0.55 0.00 0.00 56.30 55.24 2bbu h ASN 28 Cb 1.38 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 2bbu h ASN 28 CO 0.11 1.10 0.17 -0.07 -1.65 0.00 0.00 177.43 177.09 2bbu h LEU 29 N 0.59 0.24 -2.18 1.61 4.07 -1.18 -0.79 115.31 117.67 2bbu h LEU 29 Ca 0.07 -0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.07 2bbu h LEU 29 Cb 0.82 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 2bbu h LEU 29 CO 0.07 0.17 0.28 0.17 -1.08 0.00 0.00 178.44 178.05 2bbu h LEU 30 N 0.29 0.00 -0.96 1.67 8.10 -1.50 0.27 115.31 123.18 2bbu h LEU 30 Ca 0.10 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 58.03 2bbu h LEU 30 Cb 0.07 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.26 2bbu h LEU 30 CO -0.02 0.00 0.09 -0.07 -4.11 0.00 0.00 178.44 174.32 2bbu h LEU 31 N 0.00 0.80 -0.92 0.17 3.38 -1.29 -0.56 115.31 116.89 2bbu h LEU 31 Ca 0.08 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2bbu h LEU 31 Cb 0.64 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2bbu h LEU 31 CO -0.00 0.81 -0.43 0.77 0.09 0.00 0.00 178.44 179.69 2bbu h SER 32 N 0.81 0.25 1.89 -0.43 4.64 -0.61 1.23 113.55 121.33 2bbu h SER 32 Ca 0.17 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 2bbu h SER 32 Cb 0.36 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2bbu h SER 32 CO 0.01 0.65 -0.11 0.00 -0.87 0.00 0.00 176.83 176.51 2bbu h ALA 33 N 1.36 0.94 -3.00 5.18 0.00 -1.24 -3.41 119.26 119.09 2bbu h ALA 33 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2bbu h ALA 33 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2bbu h ALA 33 CO 0.07 0.08 0.00 0.39 0.00 0.00 0.00 179.25 179.78 2bbu n GLU 34 N -3.10 0.00 -1.51 0.00 -0.58 -0.28 -4.92 120.64 110.26 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 0.56 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.41 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 -0.60 2.75 -1.95 3.49 -0.04 -0.65 -4.95 135.00 133.04 2bbu n PRO 35 Ca 0.00 -2.35 -0.40 0.00 -0.04 0.00 0.00 63.50 60.71 2bbu n PRO 35 Cb 0.00 -3.10 -0.00 0.00 -0.04 0.00 0.00 33.50 30.36 2bbu n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bbu s ALA 36 N 3.32 3.38 0.00 0.55 0.00 0.42 -2.71 121.76 126.71 2bbu s ALA 36 Ca 0.52 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.85 2bbu s ALA 36 Cb 0.15 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2bbu s ALA 36 CO -0.05 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.20 2bbu n GLY 37 N 0.63 0.69 3.15 0.00 0.00 -1.26 -4.98 105.19 103.40 2bbu n GLY 37 Ca 0.02 -0.35 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 1.07 0.06 2.61 2.01 -1.10 -4.36 115.64 113.94 2bbu s THR 38 Ca 0.00 -1.09 0.08 0.00 0.31 0.00 0.00 61.69 61.00 2bbu s THR 38 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 2bbu s THR 38 CO 0.00 -0.08 -0.23 0.72 -0.69 0.00 0.00 174.62 174.34 2bbu s PHE 39 N -0.99 1.98 0.12 4.92 -0.71 -1.19 -4.33 117.98 117.77 2bbu s PHE 39 Ca -0.00 -0.39 -0.14 0.00 -1.04 0.00 0.00 56.93 55.36 2bbu s PHE 39 Cb -0.08 -1.15 0.03 0.00 -1.21 0.00 0.00 43.02 40.60 2bbu s PHE 39 CO 0.02 0.15 0.35 -0.48 -1.34 0.00 0.00 175.22 173.92 2bbu s LEU 40 N -1.42 0.63 -0.14 -1.99 2.34 -1.25 -4.01 118.68 112.84 2bbu s LEU 40 Ca 0.09 -0.41 -0.00 0.00 0.06 0.00 0.00 54.13 53.86 2bbu s LEU 40 Cb -0.09 1.65 -0.01 0.00 -0.56 0.00 0.00 46.19 47.18 2bbu s LEU 40 CO 0.03 -0.83 -0.12 -0.51 -1.06 0.00 0.00 176.35 173.85 2bbu s ILE 41 N -3.82 3.06 0.13 1.48 2.07 -1.26 -3.36 121.20 119.49 2bbu s ILE 41 Ca 0.04 -0.65 0.10 0.00 -1.41 0.00 0.00 60.65 58.73 2bbu s ILE 41 Cb 0.02 -2.30 -0.04 0.00 0.13 0.00 0.00 42.46 40.28 2bbu s ILE 41 CO -0.11 0.52 -0.21 -0.60 -1.91 0.00 0.00 174.94 172.62 2bbu s ARG 42 N 0.47 1.65 0.01 3.50 6.06 -0.06 -1.68 118.95 128.91 2bbu s ARG 42 Ca -0.09 -1.26 -0.30 0.00 -2.50 0.00 0.00 55.73 51.57 2bbu s ARG 42 Cb -0.16 -2.03 -0.05 0.00 0.06 0.00 0.00 34.95 32.78 2bbu s ARG 42 CO 0.04 0.46 1.24 0.34 -2.50 0.00 0.00 175.30 174.89 2bbu s ASP 43 N -2.18 7.02 0.47 -2.12 -1.08 -1.24 0.08 116.67 117.63 2bbu s ASP 43 Ca 0.17 1.97 0.36 0.00 -0.52 0.00 0.00 52.55 54.53 2bbu s ASP 43 Cb -0.10 -2.57 1.53 0.00 -1.46 0.00 0.00 42.92 40.32 2bbu s ASP 43 CO 0.09 -0.56 1.60 0.28 0.52 0.00 0.00 175.17 177.11 2bbu h SER 44 N 7.20 0.16 0.00 -0.34 0.02 0.33 -3.38 113.55 117.54 2bbu h SER 44 Ca -0.38 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2bbu h SER 44 Cb 1.19 0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2bbu h SER 44 CO 0.85 -0.15 0.00 -1.54 -1.14 0.00 0.00 176.83 174.85 2bbu n SER 45 N -4.50 0.00 -1.61 3.07 3.41 -1.26 -4.24 113.62 108.49 2bbu n SER 45 Ca 0.40 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 59.01 2bbu n SER 45 Cb 1.61 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.57 2bbu n SER 45 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2bbu n ASP 46 N 0.00 -0.25 0.00 4.04 2.03 -1.26 -4.97 116.55 116.14 2bbu n ASP 46 Ca 0.00 -1.05 0.04 0.00 0.52 0.00 0.00 54.79 54.30 2bbu n ASP 46 Cb 0.00 0.39 0.16 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.20 0.00 0.09 -0.67 0.00 -1.26 -2.15 117.38 113.20 2bbu n GLN 47 Ca 0.01 0.38 -0.01 0.00 0.00 0.00 0.00 57.00 57.37 2bbu n GLN 47 Cb 0.12 -1.50 0.26 0.00 0.00 0.00 0.00 30.24 29.12 2bbu n GLN 47 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 2bbu h ARG 48 N 0.00 0.26 0.00 2.61 2.43 -1.95 -3.45 114.38 114.28 2bbu h ARG 48 Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 2bbu h ARG 48 Cb 0.12 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2bbu h ARG 48 CO 0.00 0.57 0.00 0.72 -1.51 0.00 0.00 179.97 179.75 2bbu n HIS 49 N -4.08 0.00 -2.46 2.20 8.25 -0.91 -4.93 115.22 113.28 2bbu n HIS 49 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2bbu n HIS 49 Cb 0.43 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.54 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 -0.06 -4.39 4.41 1.16 -1.26 -4.77 117.46 112.55 2bbu n PHE 50 Ca 0.00 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.28 2bbu n PHE 50 Cb 0.00 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 37.75 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 -2.68 2.56 -0.02 2.97 -0.12 -1.26 0.26 117.98 119.70 2bbu s PHE 51 Ca 0.00 -0.25 0.05 0.00 -0.05 0.00 0.00 56.93 56.69 2bbu s PHE 51 Cb 0.00 -1.38 -0.01 0.00 -0.63 0.00 0.00 43.02 40.99 2bbu s PHE 51 CO 0.00 0.36 -0.18 0.99 -0.05 0.00 0.00 175.22 176.34 2bbu s THR 52 N -1.09 1.42 -0.10 -4.49 2.01 0.11 -4.37 115.64 109.13 2bbu s THR 52 Ca 0.17 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.42 2bbu s THR 52 Cb -0.11 -1.18 0.02 0.00 0.01 0.00 0.00 72.50 71.24 2bbu s THR 52 CO 0.09 0.40 -0.13 -0.22 -0.69 0.00 0.00 174.62 174.08 2bbu s LEU 53 N -0.40 1.59 0.08 4.42 2.96 -1.26 -0.88 118.68 125.19 2bbu s LEU 53 Ca 0.06 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 2bbu s LEU 53 Cb -0.07 -0.98 -0.03 0.00 0.50 0.00 0.00 46.19 45.60 2bbu s LEU 53 CO -0.01 -0.01 -0.09 -0.55 -1.32 0.00 0.00 176.35 174.37 2bbu s SER 54 N 1.10 1.29 0.35 3.68 0.15 -1.21 -3.75 113.70 115.30 2bbu s SER 54 Ca -0.05 -0.76 0.03 0.00 0.70 0.00 0.00 55.95 55.87 2bbu s SER 54 Cb -0.14 0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.15 2bbu s SER 54 CO -0.02 -0.26 0.11 0.54 1.20 0.00 0.00 173.24 174.80 2bbu s VAL 55 N -2.26 0.75 -0.03 4.45 0.11 -1.24 -3.85 120.40 118.33 2bbu s VAL 55 Ca 0.02 -2.00 0.07 0.00 -2.93 0.00 0.00 61.98 57.14 2bbu s VAL 55 Cb -0.04 -2.54 -0.02 0.00 -1.53 0.00 0.00 36.38 32.25 2bbu s VAL 55 CO -0.00 0.00 -0.24 -0.75 -3.33 0.00 0.00 175.10 170.78 2bbu s LYS 56 N -3.82 2.28 -0.06 1.54 2.36 -1.26 -3.87 119.74 116.90 2bbu s LYS 56 Ca 0.31 -0.88 -0.01 0.00 -2.55 0.00 0.00 55.97 52.84 2bbu s LYS 56 Cb 0.05 -2.13 -0.04 0.00 -1.05 0.00 0.00 37.83 34.67 2bbu s LYS 56 CO 0.15 0.53 -0.07 2.41 1.55 0.00 0.00 175.35 179.93 2bbu n THR 57 N 2.52 0.36 0.00 3.43 -1.04 -1.26 -4.28 114.28 114.01 2bbu n THR 57 Ca -0.16 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 2bbu n THR 57 Cb 0.51 -1.01 0.00 0.00 -1.82 0.00 0.00 70.33 68.02 2bbu n THR 57 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bbu n GLN 58 N -2.89 0.00 -0.68 -2.82 10.64 -1.26 -4.99 117.38 115.38 2bbu n GLN 58 Ca -0.12 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.02 2bbu n GLN 58 Cb 0.61 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.96 2bbu n GLN 58 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2bbu n SER 59 N -0.14 -0.40 -2.84 2.61 7.64 -1.26 -5.04 113.62 114.20 2bbu n SER 59 Ca 0.00 -0.82 -0.11 0.00 1.01 0.00 0.00 58.87 58.95 2bbu n SER 59 Cb 0.00 0.12 0.04 0.00 -1.01 0.00 0.00 64.21 63.36 2bbu n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bbu n GLY 60 N 0.00 0.90 3.58 0.23 0.00 -1.26 -5.10 105.19 103.54 2bbu n GLY 60 Ca -0.11 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 0.03 4.53 0.32 2.61 -1.32 -1.26 -4.65 115.64 115.90 2bbu s THR 61 Ca 0.30 0.90 0.07 0.00 -1.21 0.00 0.00 61.69 61.75 2bbu s THR 61 Cb 0.26 -4.38 -0.06 0.00 -1.51 0.00 0.00 72.50 66.80 2bbu s THR 61 CO -0.15 -0.70 -0.05 -0.54 -2.21 0.00 0.00 174.62 170.97 2bbu s LYS 62 N 3.60 1.69 0.08 7.08 -0.14 -1.25 -4.95 119.74 125.86 2bbu s LYS 62 Ca 0.37 -1.89 0.03 0.00 -1.36 0.00 0.00 55.97 53.12 2bbu s LYS 62 Cb -0.11 -1.35 -0.03 0.00 -1.68 0.00 0.00 37.83 34.66 2bbu s LYS 62 CO 0.23 0.03 -0.09 0.54 -0.76 0.00 0.00 175.35 175.30 2bbu s ASN 63 N -3.53 1.22 -0.08 2.83 4.22 -1.26 -3.63 114.94 114.71 2bbu s ASN 63 Ca 0.32 -0.75 -0.02 0.00 -2.14 0.00 0.00 52.86 50.27 2bbu s ASN 63 Cb 0.05 0.03 0.03 0.00 1.28 0.00 0.00 41.25 42.64 2bbu s ASN 63 CO 0.14 -0.27 0.04 -0.76 -2.04 0.00 0.00 177.10 174.22 2bbu s LEU 64 N -2.23 0.40 0.74 3.54 1.43 -1.25 -5.00 118.68 116.31 2bbu s LEU 64 Ca 0.01 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 2bbu s LEU 64 Cb -0.04 -0.29 0.03 0.00 0.03 0.00 0.00 46.19 45.92 2bbu s LEU 64 CO -0.01 -0.25 1.08 0.00 0.23 0.00 0.00 176.35 177.40 2bbu s ARG 65 N 2.07 2.59 0.43 1.70 1.70 -1.26 -4.41 118.95 121.77 2bbu s ARG 65 Ca 0.04 0.80 -0.22 0.00 -0.47 0.00 0.00 55.73 55.88 2bbu s ARG 65 Cb -0.13 -1.96 -0.10 0.00 -0.57 0.00 0.00 34.95 32.19 2bbu s ARG 65 CO -0.05 -1.31 0.98 0.42 -1.08 0.00 0.00 175.30 174.27 2bbu s ILE 66 N -3.11 4.15 -0.11 4.99 -1.09 -1.26 -4.59 121.20 120.18 2bbu s ILE 66 Ca 0.59 1.43 -0.02 0.00 -2.23 0.00 0.00 60.65 60.41 2bbu s ILE 66 Cb -0.14 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 2bbu s ILE 66 CO 0.55 -0.20 -0.01 -1.58 -1.23 0.00 0.00 174.94 172.46 2bbu s GLN 67 N -2.96 3.21 -0.25 2.79 2.00 0.34 -4.82 119.66 119.97 2bbu s GLN 67 Ca 0.61 -0.44 -0.22 0.00 -2.00 0.00 0.00 55.36 53.31 2bbu s GLN 67 Cb -0.13 -2.84 -0.01 0.00 0.80 0.00 0.00 33.01 30.83 2bbu s GLN 67 CO 0.18 0.55 0.71 0.00 -0.50 0.00 0.00 175.29 176.23 2bbu s GLU 69 N 2.64 1.54 0.00 0.00 2.56 0.52 -4.94 118.70 121.01 2bbu s GLU 69 Ca 0.30 -1.57 0.00 0.00 0.00 0.00 0.00 54.97 53.70 2bbu s GLU 69 Cb -0.15 -2.91 0.00 0.00 2.00 0.00 0.00 34.13 33.06 2bbu s GLU 69 CO 0.08 -0.84 0.00 0.41 -0.56 0.00 0.00 175.26 174.35 2bbu n GLY 70 N 4.41 0.36 1.34 -1.50 0.00 -1.26 -1.22 105.19 107.33 2bbu n GLY 70 Ca -0.02 0.62 -0.01 0.00 0.00 0.00 0.00 46.02 46.61 2bbu n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbu n GLY 71 N 0.00 0.83 3.13 -0.02 0.00 -1.26 -5.09 105.19 102.79 2bbu n GLY 71 Ca 0.00 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 2bbu n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bbu s SER 72 N -1.63 0.37 -0.02 1.61 0.15 -0.36 -4.71 113.70 109.10 2bbu s SER 72 Ca 0.20 -1.10 0.05 0.00 0.70 0.00 0.00 55.95 55.80 2bbu s SER 72 Cb 0.23 0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 64.78 2bbu s SER 72 CO -0.10 -0.68 -0.17 -0.36 1.20 0.00 0.00 173.24 173.12 2bbu s PHE 73 N -3.99 2.60 -0.11 3.44 0.08 -1.26 -0.36 117.98 118.38 2bbu s PHE 73 Ca 0.17 -0.23 -0.10 0.00 0.12 0.00 0.00 56.93 56.89 2bbu s PHE 73 Cb 0.07 -1.57 0.03 0.00 -0.57 0.00 0.00 43.02 40.99 2bbu s PHE 73 CO -0.03 0.16 0.29 0.45 -0.10 0.00 0.00 175.22 175.99 2bbu s SER 74 N -0.87 -0.31 0.00 1.36 0.15 -0.19 -4.82 113.70 109.02 2bbu s SER 74 Ca 0.12 0.60 0.29 0.00 0.70 0.00 0.00 55.95 57.66 2bbu s SER 74 Cb -0.10 0.59 1.32 0.00 -1.71 0.00 0.00 66.02 66.12 2bbu s SER 74 CO 0.01 -0.11 1.90 -0.11 1.20 0.00 0.00 173.24 176.13 2bbu n LEU 75 N 3.07 0.84 0.00 3.45 0.00 -1.26 0.13 117.00 123.23 2bbu n LEU 75 Ca -0.14 -0.25 0.00 0.00 0.00 0.00 0.00 56.01 55.62 2bbu n LEU 75 Cb 0.57 -0.04 0.00 0.00 0.00 0.00 0.00 43.42 43.96 2bbu n LEU 75 CO 0.16 0.14 0.00 0.00 0.00 0.00 0.00 177.39 177.69 2bbu n GLN 76 N -0.43 0.14 0.00 1.96 3.00 -1.26 -4.90 117.38 115.89 2bbu n GLN 76 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2bbu n GLN 76 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.51 2bbu n GLN 76 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2bbu n SER 77 N 0.00 0.00 -4.61 1.08 3.41 -1.26 -4.86 113.62 107.38 2bbu n SER 77 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 2bbu n SER 77 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 2bbu n SER 77 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bbu s ASP 78 N 0.12 6.74 0.13 4.04 -1.08 -1.26 -4.87 116.67 120.49 2bbu s ASP 78 Ca 0.00 0.67 0.23 0.00 -0.52 0.00 0.00 52.55 52.93 2bbu s ASP 78 Cb 0.00 -2.52 0.90 0.00 -1.46 0.00 0.00 42.92 39.84 2bbu s ASP 78 CO 0.00 -1.02 1.71 -0.81 0.52 0.00 0.00 175.17 175.57 2bbu n PRO 79 N 7.22 0.13 0.00 4.34 -0.04 -1.26 -2.99 135.00 142.40 2bbu n PRO 79 Ca 0.10 0.25 0.06 0.00 -0.04 0.00 0.00 63.50 63.87 2bbu n PRO 79 Cb 0.48 -1.69 0.29 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.92 0.15 0.00 0.54 1.74 -1.26 -3.88 116.66 112.03 2bbu n ARG 80 Ca 0.04 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2bbu n ARG 80 Cb 0.29 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 2bbu n ARG 80 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2bbu n SER 81 N -1.31 0.45 0.00 0.55 2.88 -1.16 -4.82 113.62 110.22 2bbu n SER 81 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 2bbu n SER 81 Cb 0.10 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.56 2bbu n SER 81 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2bbu n THR 82 N 0.00 0.00 0.00 2.46 -1.04 -1.26 -3.71 114.28 110.72 2bbu n THR 82 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2bbu n THR 82 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2bbu n THR 82 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2bbu n GLN 83 N 0.00 0.00 -1.38 -2.82 7.27 -1.26 -4.97 117.38 114.22 2bbu n GLN 83 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 57.00 56.76 2bbu n GLN 83 Cb 0.00 0.00 0.09 0.00 2.41 0.00 0.00 30.24 32.74 2bbu n GLN 83 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 2bbu s PRO 84 N 0.00 2.17 0.41 3.69 0.04 -1.24 -5.06 135.00 135.01 2bbu s PRO 84 Ca 0.00 0.94 0.05 0.00 0.04 0.00 0.00 61.00 62.03 2bbu s PRO 84 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2bbu s PRO 84 CO 0.00 -1.64 0.58 0.14 0.04 0.00 0.00 177.00 176.12 2bbu s VAL 85 N -2.99 3.57 0.16 -0.36 -7.23 -1.26 -4.29 120.40 108.00 2bbu s VAL 85 Ca 0.61 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.61 2bbu s VAL 85 Cb -0.16 -3.25 -0.08 0.00 0.56 0.00 0.00 36.38 33.45 2bbu s VAL 85 CO 0.56 -0.12 1.30 -2.16 -0.31 0.00 0.00 175.10 174.36 2bbu s PRO 86 N -4.38 4.39 -1.09 4.82 0.04 -1.25 -3.08 135.00 134.46 2bbu s PRO 86 Ca 0.50 2.00 -0.05 0.00 0.04 0.00 0.00 61.00 63.49 2bbu s PRO 86 Cb -0.10 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.22 2bbu s PRO 86 CO 0.34 -0.28 0.94 0.54 0.04 0.00 0.00 177.00 178.58 2bbu n ARG 87 N 3.10 -6.31 0.00 4.56 1.74 -1.26 -5.00 116.66 113.49 2bbu n ARG 87 Ca 0.08 0.70 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 2bbu n ARG 87 Cb 0.43 -5.32 0.00 0.00 -1.02 0.00 0.00 32.46 26.56 2bbu n ARG 87 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 2bbu n PHE 88 N -4.29 -0.21 -3.58 -1.55 1.16 -1.18 -4.91 117.46 102.91 2bbu n PHE 88 Ca -0.07 0.00 -0.41 0.00 -1.87 0.00 0.00 57.45 55.10 2bbu n PHE 88 Cb 0.58 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.34 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 -1.93 5.79 0.35 5.98 1.01 -1.26 -4.98 116.67 121.62 2bbu s ASP 89 Ca 0.00 -1.00 0.00 0.00 0.71 0.00 0.00 52.55 52.26 2bbu s ASP 89 Cb 0.00 -2.04 0.00 0.00 1.01 0.00 0.00 42.92 41.89 2bbu s ASP 89 CO 0.00 -0.40 0.00 0.00 0.21 0.00 0.00 175.17 174.98 2bbu h VAL 91 N -0.73 0.05 -0.73 0.00 3.04 -1.87 -1.09 116.25 114.92 2bbu h VAL 91 Ca -0.07 0.00 0.15 0.00 -1.01 0.00 0.00 66.70 65.77 2bbu h VAL 91 Cb 0.69 0.45 -0.05 0.00 -2.01 0.00 0.00 31.29 30.38 2bbu h VAL 91 CO 0.03 0.00 0.49 0.17 -1.01 0.00 0.00 177.57 177.25 2bbu h LEU 92 N 0.00 0.36 -1.96 3.16 8.10 -1.79 0.09 115.31 123.27 2bbu h LEU 92 Ca 0.06 0.02 0.08 0.00 0.11 0.00 0.00 57.88 58.15 2bbu h LEU 92 Cb 1.21 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 41.36 2bbu h LEU 92 CO -0.00 0.19 0.21 0.50 -4.11 0.00 0.00 178.44 175.23 2bbu h LYS 93 N 0.38 0.05 -0.39 0.17 3.11 -1.09 0.04 116.57 118.84 2bbu h LYS 93 Ca 0.36 -0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.23 2bbu h LYS 93 Cb 0.85 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.05 2bbu h LYS 93 CO -0.11 0.03 0.26 1.37 -2.81 0.00 0.00 179.45 178.19 2bbu h LEU 94 N 0.05 0.33 -1.52 5.20 8.10 -1.19 -1.91 115.31 124.38 2bbu h LEU 94 Ca 0.14 -0.00 0.17 0.00 0.11 0.00 0.00 57.88 58.30 2bbu h LEU 94 Cb 0.50 -0.08 -0.06 0.00 -0.44 0.00 0.00 40.66 40.58 2bbu h LEU 94 CO -0.01 0.23 0.55 -0.37 -4.11 0.00 0.00 178.44 174.73 2bbu h VAL 95 N 0.39 0.75 -0.87 0.15 -1.51 -1.10 0.80 116.25 114.86 2bbu h VAL 95 Ca 0.16 -0.15 0.25 0.00 -1.23 0.00 0.00 66.70 65.73 2bbu h VAL 95 Cb 0.16 0.27 -0.04 0.00 -2.13 0.00 0.00 31.29 29.55 2bbu h VAL 95 CO -0.04 0.08 0.63 0.45 -1.23 0.00 0.00 177.57 177.46 2bbu h HIS 96 N 0.45 0.01 -0.11 5.19 3.86 -1.49 0.67 115.15 123.73 2bbu h HIS 96 Ca 0.42 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.44 2bbu h HIS 96 Cb 0.96 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.42 2bbu h HIS 96 CO -0.00 0.00 -0.72 1.25 0.86 0.00 0.00 177.93 179.32 2bbu h HIS 97 N 0.00 0.69 0.00 2.45 6.17 -1.02 -2.81 115.15 120.63 2bbu h HIS 97 Ca 0.41 -0.30 -0.01 0.00 0.71 0.00 0.00 60.37 61.19 2bbu h HIS 97 Cb 1.66 -0.11 -0.00 0.00 2.52 0.00 0.00 27.41 31.48 2bbu h HIS 97 CO -0.00 1.07 -0.04 1.88 0.71 0.00 0.00 177.93 181.55 2bbu h TYR 98 N 0.36 0.00 -4.02 5.26 0.05 0.30 -3.40 116.97 115.51 2bbu h TYR 98 Ca -0.03 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.68 2bbu h TYR 98 Cb 1.30 0.00 0.06 0.00 1.01 0.00 0.00 36.73 39.10 2bbu h TYR 98 CO 0.05 0.04 -0.24 -0.12 -1.05 0.00 0.00 178.16 176.84 2bbu n MET 99 N -3.35 -0.82 0.14 4.88 0.00 -0.88 -4.59 117.12 112.51 2bbu n MET 99 Ca -0.02 0.55 -0.00 0.00 0.00 0.00 0.00 57.70 58.23 2bbu n MET 99 Cb 0.17 -3.32 0.18 0.00 0.00 0.00 0.00 33.22 30.25 2bbu n MET 99 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 2bbu h PRO 100 N -0.24 0.00 -7.37 2.12 0.13 -1.76 -3.30 132.00 121.57 2bbu h PRO 100 Ca -0.17 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.46 2bbu h PRO 100 Cb 1.09 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.33 2bbu h PRO 100 CO 0.17 0.60 0.34 -1.25 -0.23 0.00 0.00 178.00 177.62 2bbu s PRO 101 N -3.57 2.35 0.00 1.56 0.04 -1.26 -4.67 135.00 129.44 2bbu s PRO 101 Ca -0.01 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2bbu s PRO 101 Cb 0.12 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2bbu s PRO 101 CO 0.75 -1.47 0.00 -0.35 0.04 0.00 0.00 177.00 175.97 2bbu n PRO 102 N -3.36 0.00 0.00 0.56 -0.04 -1.26 -4.35 135.00 126.56 2bbu n PRO 102 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 2bbu n PRO 102 Cb 0.55 -0.16 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 2bbu n PRO 102 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bbu n GLY 103 N 2.03 1.60 3.69 0.55 0.00 -1.26 -4.71 105.19 107.08 2bbu n GLY 103 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2bbu n GLY 103 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2bbu n THR 104 N -0.01 2.55 -0.03 2.61 -2.24 -1.26 -4.91 114.28 110.99 2bbu n THR 104 Ca 0.00 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 61.12 2bbu n THR 104 Cb 0.00 -1.51 -0.09 0.00 -2.10 0.00 0.00 70.33 66.64 2bbu n THR 104 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2bbu h PRO 105 N 2.01 0.46 0.00 -0.78 0.13 -2.07 -3.49 132.00 128.27 2bbu h PRO 105 Ca -0.47 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.28 2bbu h PRO 105 Cb 1.30 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.51 2bbu h PRO 105 CO 0.59 1.01 0.00 0.45 -0.23 0.00 0.00 178.00 179.82 2bbu n SER 106 N -4.29 0.00 -3.52 1.44 2.88 -1.26 -5.04 113.62 103.83 2bbu n SER 106 Ca -0.08 -0.19 -0.27 0.00 -1.33 0.00 0.00 58.87 57.00 2bbu n SER 106 Cb 0.57 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.05 2bbu n SER 106 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2bbu n PHE 107 N 0.00 -2.54 -3.53 0.66 3.72 -1.26 -4.98 117.46 109.53 2bbu n PHE 107 Ca 0.00 1.04 -0.10 0.00 -0.05 0.00 0.00 57.45 58.34 2bbu n PHE 107 Cb 0.00 -2.59 0.01 0.00 -0.94 0.00 0.00 39.48 35.95 2bbu n PHE 107 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2bbu n SER 108 N -1.30 1.55 -3.47 4.37 2.88 -1.26 -5.09 113.62 111.30 2bbu n SER 108 Ca -0.15 -1.75 -0.27 0.00 -1.33 0.00 0.00 58.87 55.37 2bbu n SER 108 Cb 0.65 -0.05 -0.09 0.00 -0.75 0.00 0.00 64.21 63.97 2bbu n SER 108 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2bbu n LEU 109 N 0.00 1.45 -4.76 2.46 7.94 -1.26 -5.10 117.00 117.73 2bbu n LEU 109 Ca 0.01 -4.89 -0.40 0.00 -1.11 0.00 0.00 56.01 49.62 2bbu n LEU 109 Cb 0.26 -0.01 -0.04 0.00 0.53 0.00 0.00 43.42 44.16 2bbu n LEU 109 CO 0.15 1.93 0.83 -2.16 -1.11 0.00 0.00 177.39 177.03 2bbu s PRO 110 N -1.17 4.58 0.45 1.96 0.04 -1.26 -5.01 135.00 134.60 2bbu s PRO 110 Ca 0.33 1.88 -0.22 0.00 0.04 0.00 0.00 61.00 63.03 2bbu s PRO 110 Cb 0.08 -3.17 -0.08 0.00 0.04 0.00 0.00 34.50 31.37 2bbu s PRO 110 CO -0.13 0.13 1.09 -1.25 0.04 0.00 0.00 177.00 176.88 2bbu s PRO 111 N -1.49 3.88 -0.96 0.56 0.04 -1.26 -4.95 135.00 130.82 2bbu s PRO 111 Ca 0.45 1.56 -0.23 0.00 0.04 0.00 0.00 61.00 62.82 2bbu s PRO 111 Cb -0.33 -2.34 0.05 0.00 0.04 0.00 0.00 34.50 31.91 2bbu s PRO 111 CO 0.43 -0.40 1.39 0.99 0.04 0.00 0.00 177.00 179.46 2bbu s THR 112 N -1.71 3.94 0.43 1.26 2.01 -1.26 -4.98 115.64 115.32 2bbu s THR 112 Ca 0.63 -0.59 -0.25 0.00 0.31 0.00 0.00 61.69 61.79 2bbu s THR 112 Cb -0.23 -5.01 -0.08 0.00 0.01 0.00 0.00 72.50 67.19 2bbu s THR 112 CO 0.28 -1.89 1.33 -1.83 -0.69 0.00 0.00 174.62 171.81 2bbu s GLU 113 N 4.97 3.83 0.45 4.92 -1.05 -1.26 -4.89 118.70 125.67 2bbu s GLU 113 Ca 0.43 2.20 0.29 0.00 -0.15 0.00 0.00 54.97 57.74 2bbu s GLU 113 Cb -0.02 -2.68 1.04 0.00 -0.44 0.00 0.00 34.13 32.04 2bbu s GLU 113 CO -0.05 -0.62 1.84 -1.00 0.95 0.00 0.00 175.26 176.38 2bbu h PRO 114 N 2.47 0.00 -6.46 -4.83 0.13 -2.07 -3.44 132.00 117.81 2bbu h PRO 114 Ca -0.50 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.10 2bbu h PRO 114 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 2bbu h PRO 114 CO 0.62 0.00 -0.11 0.45 -0.23 0.00 0.00 178.00 178.73 2bbu s SER 115 N -5.47 6.61 0.00 1.44 0.15 -1.26 -5.06 113.70 110.11 2bbu s SER 115 Ca 0.04 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.60 2bbu s SER 115 Cb 0.08 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2bbu s SER 115 CO 0.55 -0.10 0.00 -0.24 1.20 0.00 0.00 173.24 174.65 2bbu n SER 116 N -0.25 0.11 0.00 5.45 2.88 -1.26 -4.91 113.62 115.63 2bbu n SER 116 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2bbu n SER 116 Cb 0.53 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2bbu n SER 116 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2bbu n GLU 117 N 0.00 -1.40 -1.65 -1.46 1.02 -1.26 -4.88 120.64 111.01 2bbu n GLU 117 Ca 0.00 0.35 -0.49 0.00 -0.02 0.00 0.00 57.16 57.00 2bbu n GLU 117 Cb 0.00 -4.43 -0.05 0.00 -0.02 0.00 0.00 31.44 26.94 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 -2.27 0.50 -0.03 2.62 0.31 -1.26 -4.86 118.33 113.34 2bbu n VAL 118 Ca 0.00 -0.15 -0.14 0.00 -0.01 0.00 0.00 64.34 64.04 2bbu n VAL 118 Cb 0.35 -1.87 -0.10 0.00 -0.91 0.00 0.00 33.84 31.30 2bbu n VAL 118 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2bbu h PRO 119 N 10.01 0.09 0.00 5.55 0.13 -2.05 -3.45 132.00 142.27 2bbu h PRO 119 Ca -0.45 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2bbu h PRO 119 Cb 1.28 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2bbu h PRO 119 CO 0.96 0.69 0.00 -1.91 -0.23 0.00 0.00 178.00 177.51 2bbu n GLU 120 N -4.70 0.00 -1.59 0.86 2.13 -1.26 -5.12 120.64 110.96 2bbu n GLU 120 Ca -0.09 0.00 -0.58 0.00 0.66 0.00 0.00 57.16 57.15 2bbu n GLU 120 Cb 0.35 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.99 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 0.00 0.47 -2.24 5.31 6.02 -1.26 -4.79 117.38 120.89 2bbu n GLN 121 Ca 0.00 0.17 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 2bbu n GLN 121 Cb 0.00 -1.73 -0.02 0.00 1.02 0.00 0.00 30.24 29.50 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 1.01 3.54 0.00 -1.09 0.04 -1.26 -5.00 135.00 132.24 2bbu s PRO 122 Ca 0.92 1.13 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2bbu s PRO 122 Cb -1.19 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2bbu s PRO 122 CO 0.59 -1.61 0.00 -0.35 0.04 0.00 0.00 177.00 175.67 2bbu n PRO 123 N 8.11 1.16 0.06 0.56 -0.04 -1.26 -4.96 135.00 138.63 2bbu n PRO 123 Ca 0.18 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.76 2bbu n PRO 123 Cb 0.47 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.94 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 -3.00 2.87 -3.93 0.55 0.00 -1.26 -4.99 120.51 110.75 2bbu n ALA 124 Ca 0.00 -0.32 -0.39 0.00 0.00 0.00 0.00 53.44 52.73 2bbu n ALA 124 Cb 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 18.44 2bbu n ALA 124 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2bbu n GLN 125 N -2.34 -0.69 0.00 0.00 -0.06 -1.26 -4.13 117.38 108.90 2bbu n GLN 125 Ca 0.00 0.31 0.00 0.00 -2.00 0.00 0.00 57.00 55.32 2bbu n GLN 125 Cb 0.50 -2.78 0.00 0.00 -4.06 0.00 0.00 30.24 23.90 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 -4.32 0.00 -3.46 1.69 0.00 -1.26 -4.80 120.51 108.35 2bbu n ALA 126 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.95 2bbu n ALA 126 Cb 0.59 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.08 2bbu n ALA 126 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2bbu n LEU 127 N 0.00 -2.68 0.05 0.00 -0.00 -1.26 -4.89 117.00 108.22 2bbu n LEU 127 Ca 0.00 -0.08 -0.11 0.00 -0.00 0.00 0.00 56.01 55.83 2bbu n LEU 127 Cb 0.00 -1.61 -0.07 0.00 -0.00 0.00 0.00 43.42 41.74 2bbu n LEU 127 CO 0.00 -0.23 0.39 1.55 -0.00 0.00 0.00 177.39 179.10 2bbu h PRO 128 N 2.32 -0.21 0.00 1.96 0.13 -1.92 -3.45 132.00 130.83 2bbu h PRO 128 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2bbu h PRO 128 Cb 1.35 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2bbu h PRO 128 CO 0.20 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 178.59 2bbu n GLY 129 N 0.63 0.42 3.10 1.56 0.00 -1.26 -3.68 105.19 105.96 2bbu n GLY 129 Ca -0.08 0.49 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 2bbu n GLY 129 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bbu s SER 130 N -4.00 4.86 -0.20 1.61 0.15 -1.26 -5.08 113.70 109.78 2bbu s SER 130 Ca 0.00 -1.69 -0.21 0.00 0.70 0.00 0.00 55.95 54.74 2bbu s SER 130 Cb 0.00 -1.69 -0.02 0.00 -1.71 0.00 0.00 66.02 62.60 2bbu s SER 130 CO 0.00 -0.34 0.66 -0.89 1.20 0.00 0.00 173.24 173.87 2bbu s THR 131 N 1.11 4.99 -0.54 6.45 2.01 -1.24 -5.00 115.64 123.43 2bbu s THR 131 Ca 0.01 1.25 -0.27 0.00 0.31 0.00 0.00 61.69 62.99 2bbu s THR 131 Cb -0.20 -3.98 -0.00 0.00 0.01 0.00 0.00 72.50 68.33 2bbu s THR 131 CO -0.04 0.09 1.63 -2.16 -0.69 0.00 0.00 174.62 173.44 2bbu s PRO 132 N 2.01 3.09 0.16 4.92 0.04 -1.26 -4.90 135.00 139.06 2bbu s PRO 132 Ca 0.30 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 2bbu s PRO 132 Cb -0.16 -4.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.13 2bbu s PRO 132 CO 0.10 -2.18 1.55 -0.22 0.04 0.00 0.00 177.00 176.29 2bbu h LYS 133 N 12.65 -0.16 -4.53 4.56 1.63 -1.95 -3.47 116.57 125.30 2bbu h LYS 133 Ca -0.28 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 2bbu h LYS 133 Cb 1.13 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2bbu h LYS 133 CO 1.16 -0.11 -0.88 0.54 -3.45 0.00 0.00 179.45 176.72 2bbu n ARG 134 N -5.34 -4.85 -3.54 1.90 1.74 -1.26 -5.06 116.66 100.25 2bbu n ARG 134 Ca 0.01 3.47 0.00 0.00 -0.77 0.00 0.00 57.85 60.56 2bbu n ARG 134 Cb 0.32 -4.16 -0.06 0.00 -1.02 0.00 0.00 32.46 27.54 2bbu n ARG 134 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bbu s ALA 135 N -0.51 -2.55 -0.11 7.54 0.00 -1.26 -5.13 121.76 119.74 2bbu s ALA 135 Ca 0.00 2.09 0.00 0.00 0.00 0.00 0.00 51.96 54.05 2bbu s ALA 135 Cb 0.00 -1.91 0.02 0.00 0.00 0.00 0.00 23.12 21.24 2bbu s ALA 135 CO 0.00 -0.57 -0.09 -0.47 0.00 0.00 0.00 175.76 174.63 2bbu s TYR 136 N 1.66 1.59 0.23 0.00 5.04 -1.25 -4.99 117.35 119.63 2bbu s TYR 136 Ca -0.06 -0.78 -0.18 0.00 -2.44 0.00 0.00 57.07 53.61 2bbu s TYR 136 Cb -0.04 -1.26 0.02 0.00 0.35 0.00 0.00 41.96 41.03 2bbu s TYR 136 CO -0.15 -0.50 0.59 1.52 -1.34 0.00 0.00 175.55 175.68 2bbu s TYR 137 N 1.48 -0.08 0.07 4.97 -0.85 -1.26 -3.37 117.35 118.32 2bbu s TYR 137 Ca 0.01 -0.30 0.03 0.00 -0.52 0.00 0.00 57.07 56.30 2bbu s TYR 137 Cb -0.13 0.48 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 2bbu s TYR 137 CO -0.06 -1.05 0.06 0.42 -1.52 0.00 0.00 175.55 173.40 2bbu s ILE 138 N -3.91 4.44 -0.13 -3.49 1.09 -1.17 -4.94 121.20 113.09 2bbu s ILE 138 Ca 0.12 -0.78 -0.13 0.00 -1.10 0.00 0.00 60.65 58.76 2bbu s ILE 138 Cb -0.03 -3.13 -0.05 0.00 -1.06 0.00 0.00 42.46 38.20 2bbu s ILE 138 CO 0.02 0.14 0.29 -0.31 -0.10 0.00 0.00 174.94 174.99 2bbu s TYR 139 N -1.36 3.52 -0.30 3.97 1.51 -1.26 -2.11 117.35 121.32 2bbu s TYR 139 Ca 0.28 0.65 -0.04 0.00 -1.01 0.00 0.00 57.07 56.96 2bbu s TYR 139 Cb -0.12 -2.28 -0.00 0.00 -0.11 0.00 0.00 41.96 39.45 2bbu s TYR 139 CO 0.21 0.37 2.85 0.43 -1.11 0.00 0.00 175.55 178.30 2bbu n SER 140 N 3.07 6.12 -3.44 2.29 7.64 0.77 -4.78 113.62 125.30 2bbu n SER 140 Ca -0.13 -2.98 -0.17 0.00 1.01 0.00 0.00 58.87 56.60 2bbu n SER 140 Cb 0.52 -1.25 0.02 0.00 -1.01 0.00 0.00 64.21 62.49 2bbu n SER 140 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bbu n GLY 141 N 1.23 -1.17 0.00 0.23 0.00 -1.26 -3.32 105.19 100.90 2bbu n GLY 141 Ca 0.43 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 -1.66 2.33 3.20 -0.02 0.00 -1.26 -5.06 105.19 102.72 2bbu n GLY 142 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.26 3.12 -0.54 1.61 8.01 -1.21 -5.08 118.70 124.36 2bbu s GLU 143 Ca 0.00 -0.77 -0.23 0.00 0.01 0.00 0.00 54.97 53.98 2bbu s GLU 143 Cb 0.00 -2.65 0.05 0.00 -4.31 0.00 0.00 34.13 27.21 2bbu s GLU 143 CO 0.00 -0.13 0.85 -1.59 0.01 0.00 0.00 175.26 174.41 2bbu s LYS 144 N 1.15 3.28 -0.54 1.61 -2.85 -1.26 0.27 119.74 121.40 2bbu s LYS 144 Ca 0.01 -0.43 -0.19 0.00 -1.00 0.00 0.00 55.97 54.36 2bbu s LYS 144 Cb -0.14 -4.06 0.08 0.00 -2.06 0.00 0.00 37.83 31.65 2bbu s LYS 144 CO -0.07 -1.41 0.63 0.42 0.10 0.00 0.00 175.35 175.02 2bbu s ILE 145 N 3.59 4.90 -0.03 3.79 1.09 -0.90 -4.96 121.20 128.68 2bbu s ILE 145 Ca 0.26 -0.80 -0.30 0.00 -1.10 0.00 0.00 60.65 58.71 2bbu s ILE 145 Cb -0.14 -4.36 -0.03 0.00 -1.06 0.00 0.00 42.46 36.86 2bbu s ILE 145 CO 0.17 -0.92 1.16 -2.16 -0.10 0.00 0.00 174.94 173.09 2bbu s PRO 146 N 2.51 4.40 -0.04 2.79 0.04 -1.26 -3.06 135.00 140.37 2bbu s PRO 146 Ca 0.12 1.63 0.04 0.00 0.04 0.00 0.00 61.00 62.84 2bbu s PRO 146 Cb -0.22 -3.50 -0.00 0.00 0.04 0.00 0.00 34.50 30.81 2bbu s PRO 146 CO 0.09 -0.35 -0.16 -0.48 0.04 0.00 0.00 177.00 176.13 2bbu s LEU 147 N 1.84 1.92 -0.31 -3.56 2.34 -1.22 -5.01 118.68 114.68 2bbu s LEU 147 Ca 0.55 -0.33 -0.15 0.00 0.06 0.00 0.00 54.13 54.27 2bbu s LEU 147 Cb -0.24 -0.92 -0.02 0.00 -0.56 0.00 0.00 46.19 44.45 2bbu s LEU 147 CO 0.23 0.15 0.34 0.68 -1.06 0.00 0.00 176.35 176.70 2bbu s VAL 148 N -0.01 5.19 -0.35 1.48 -7.23 -1.26 -3.94 120.40 114.27 2bbu s VAL 148 Ca -0.02 0.21 -0.21 0.00 -1.81 0.00 0.00 61.98 60.15 2bbu s VAL 148 Cb -0.10 -3.75 0.00 0.00 0.56 0.00 0.00 36.38 33.08 2bbu s VAL 148 CO 0.02 0.02 0.66 -0.22 -0.31 0.00 0.00 175.10 175.27 2bbu s LEU 149 N 2.00 4.22 0.00 1.32 0.20 -1.26 -4.83 118.68 120.33 2bbu s LEU 149 Ca 0.12 0.22 0.00 0.00 0.69 0.00 0.00 54.13 55.16 2bbu s LEU 149 Cb -0.16 -2.83 0.00 0.00 -0.43 0.00 0.00 46.19 42.76 2bbu s LEU 149 CO 0.11 -0.61 0.74 -0.24 -0.29 0.00 0.00 176.35 176.06 2bbu n SER 150 N 6.09 0.00 -4.52 3.68 2.88 -1.24 -4.38 113.62 116.13 2bbu n SER 150 Ca -0.00 -1.51 -0.36 0.00 -1.33 0.00 0.00 58.87 55.67 2bbu n SER 150 Cb 0.49 -0.10 -0.12 0.00 -0.75 0.00 0.00 64.21 63.73 2bbu n SER 150 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2bbu s ARG 151 N 0.00 3.77 0.43 -1.46 3.00 -1.26 -4.20 118.95 119.22 2bbu s ARG 151 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 55.73 55.07 2bbu s ARG 151 Cb 0.00 -3.24 -0.09 0.00 0.00 0.00 0.00 34.95 31.61 2bbu s ARG 151 CO 0.00 0.02 1.01 -1.25 0.00 0.00 0.00 175.30 175.08 2bbu s PRO 152 N 1.06 4.08 0.50 3.54 0.04 -1.26 -3.20 135.00 139.75 2bbu s PRO 152 Ca 0.04 1.36 -0.18 0.00 0.04 0.00 0.00 61.00 62.25 2bbu s PRO 152 Cb -0.14 -2.32 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 2bbu s PRO 152 CO 0.03 -0.19 0.99 -1.17 0.04 0.00 0.00 177.00 176.70 2bbu s LEU 153 N -3.02 3.72 -1.09 -3.56 1.98 -1.26 -4.78 118.68 110.67 2bbu s LEU 153 Ca 0.62 1.65 -0.05 0.00 -2.89 0.00 0.00 54.13 53.46 2bbu s LEU 153 Cb -0.17 -4.52 0.13 0.00 0.66 0.00 0.00 46.19 42.29 2bbu s LEU 153 CO 0.21 -0.59 2.41 -1.20 -1.89 0.00 0.00 176.35 175.29 2bbu n SER 154 N -1.31 7.63 -0.33 3.68 7.64 -1.26 -4.80 113.62 124.87 2bbu n SER 154 Ca 0.07 -3.23 -0.11 0.00 1.01 0.00 0.00 58.87 56.62 2bbu n SER 154 Cb 0.54 -1.31 -0.09 0.00 -1.01 0.00 0.00 64.21 62.34 2bbu n SER 154 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2bbu h SER 155 N 4.17 -1.92 0.00 6.43 0.87 -1.93 -3.53 113.55 117.64 2bbu h SER 155 Ca 0.62 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 61.46 2bbu h SER 155 Cb 0.39 0.84 0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2bbu h SER 155 CO 1.31 -0.24 0.00 0.59 -0.53 0.00 0.00 176.83 177.96