#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ple n SER 2 N 0.00 -7.30 -4.88 1.61 7.64 -1.26 -4.98 113.62 104.45 2ple n SER 2 Ca 0.00 0.52 -0.29 0.00 1.01 0.00 0.00 58.87 60.10 2ple n SER 2 Cb 0.00 -4.23 0.09 0.00 -1.01 0.00 0.00 64.21 59.07 2ple n SER 2 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ple s PRO 3 N -2.29 1.97 0.08 1.43 0.04 -1.26 -5.05 135.00 129.93 2ple s PRO 3 Ca 0.22 0.19 -0.21 0.00 0.04 0.00 0.00 61.00 61.25 2ple s PRO 3 Cb -0.05 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.60 2ple s PRO 3 CO 0.74 -1.60 0.51 0.20 0.04 0.00 0.00 177.00 176.88 2ple s GLY 4 N -4.46 -0.43 0.00 0.56 0.00 -1.26 -4.90 107.32 96.83 2ple s GLY 4 Ca 0.62 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.77 2ple s GLY 4 CO 0.50 0.13 0.00 1.39 0.00 0.00 0.00 173.10 175.12 2ple n ILE 5 N 0.12 0.00 0.04 0.90 -0.00 -1.26 -5.00 119.36 114.16 2ple n ILE 5 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 62.75 62.59 2ple n ILE 5 Cb 0.62 -0.04 -0.02 0.00 -0.00 0.00 0.00 39.64 40.21 2ple n ILE 5 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2ple n HIS 6 N -0.31 0.00 -3.22 1.39 1.44 -1.26 -4.93 115.22 108.32 2ple n HIS 6 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 2ple n HIS 6 Cb 0.00 -0.03 -0.02 0.00 0.12 0.00 0.00 29.99 30.06 2ple n HIS 6 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2ple s GLU 7 N -1.79 0.69 0.00 -1.40 2.02 -1.26 -4.92 118.70 112.04 2ple s GLU 7 Ca -0.00 -0.09 0.00 0.00 0.02 0.00 0.00 54.97 54.90 2ple s GLU 7 Cb 0.02 -0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.24 2ple s GLU 7 CO 0.09 -1.14 0.00 -1.13 0.02 0.00 0.00 175.26 173.10 2ple n SER 8 N 4.74 0.00 -1.45 -0.19 3.41 -1.26 -5.09 113.62 113.78 2ple n SER 8 Ca 0.08 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.88 2ple n SER 8 Cb 0.54 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.42 2ple n SER 8 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ple n LYS 9 N 0.00 -3.09 -2.64 4.33 4.76 -1.08 -4.60 118.16 115.84 2ple n LYS 9 Ca 0.00 2.29 -0.04 0.00 -2.87 0.00 0.00 58.31 57.69 2ple n LYS 9 Cb 0.00 -3.71 -0.03 0.00 -1.84 0.00 0.00 35.03 29.45 2ple n LYS 9 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2ple n GLU 10 N -4.28 -4.29 0.00 1.97 4.71 -1.26 -3.87 120.64 113.63 2ple n GLU 10 Ca -0.04 3.28 0.00 0.00 -0.01 0.00 0.00 57.16 60.39 2ple n GLU 10 Cb 0.68 -5.23 0.00 0.00 -1.01 0.00 0.00 31.44 25.88 2ple n GLU 10 CO 0.00 0.00 0.00 1.87 0.09 0.00 0.00 177.13 179.09 2ple n TRP 11 N 1.37 0.00 -3.89 -0.32 -0.00 -1.26 -4.92 117.44 108.43 2ple n TRP 11 Ca -0.29 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 56.92 2ple n TRP 11 Cb 0.44 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.59 2ple n TRP 11 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 177.69 177.22 2ple s TYR 12 N -1.01 1.88 0.06 5.87 5.04 -1.21 -1.56 117.35 126.42 2ple s TYR 12 Ca 0.00 -1.33 0.08 0.00 -2.44 0.00 0.00 57.07 53.38 2ple s TYR 12 Cb 0.00 -1.38 -0.03 0.00 0.35 0.00 0.00 41.96 40.90 2ple s TYR 12 CO 0.00 -0.68 -0.19 -1.01 -1.34 0.00 0.00 175.55 172.33 2ple s HIS 13 N 1.57 2.53 -0.43 4.97 3.76 -0.82 -2.62 115.29 124.25 2ple s HIS 13 Ca -0.02 -0.28 0.06 0.00 -0.15 0.00 0.00 55.06 54.68 2ple s HIS 13 Cb -0.17 -1.43 0.33 0.00 1.11 0.00 0.00 32.58 32.42 2ple s HIS 13 CO -0.07 0.27 1.20 0.00 -0.85 0.00 0.00 174.74 175.29 2ple n ALA 14 N 1.42 -0.66 -2.73 -1.40 0.00 -1.26 -2.03 120.51 113.86 2ple n ALA 14 Ca -0.16 -1.27 -0.07 0.00 0.00 0.00 0.00 53.44 51.93 2ple n ALA 14 Cb 0.52 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.70 2ple n ALA 14 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ple n SER 15 N 0.13 -2.44 -3.73 0.00 3.41 -1.26 -5.06 113.62 104.67 2ple n SER 15 Ca 0.02 -2.92 -0.07 0.00 -0.26 0.00 0.00 58.87 55.64 2ple n SER 15 Cb 0.74 1.55 -0.01 0.00 -0.26 0.00 0.00 64.21 66.22 2ple n SER 15 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2ple s LEU 16 N -0.66 -0.22 0.00 1.04 2.34 -1.26 -5.08 118.68 114.84 2ple s LEU 16 Ca 0.30 -0.66 0.00 0.00 0.06 0.00 0.00 54.13 53.82 2ple s LEU 16 Cb 0.23 2.70 0.00 0.00 -0.56 0.00 0.00 46.19 48.56 2ple s LEU 16 CO -0.19 -1.36 0.00 0.41 -1.06 0.00 0.00 176.35 174.15 2ple n THR 17 N -0.47 0.00 0.68 5.48 -1.04 -1.26 -4.95 114.28 112.72 2ple n THR 17 Ca -0.05 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.09 2ple n THR 17 Cb 0.59 -1.53 0.29 0.00 -1.82 0.00 0.00 70.33 67.86 2ple n THR 17 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2ple n ARG 18 N -0.10 0.22 -0.03 -2.82 3.00 -1.26 -3.97 116.66 111.70 2ple n ARG 18 Ca 0.00 0.10 -0.03 0.00 -0.00 0.00 0.00 57.85 57.93 2ple n ARG 18 Cb 0.00 -1.68 -0.06 0.00 0.00 0.00 0.00 32.46 30.72 2ple n ARG 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ple n ALA 19 N -1.74 1.87 0.33 5.13 0.00 -1.26 -4.47 120.51 120.36 2ple n ALA 19 Ca 0.05 -0.47 0.22 0.00 0.00 0.00 0.00 53.44 53.23 2ple n ALA 19 Cb 0.41 0.04 1.15 0.00 0.00 0.00 0.00 19.45 21.06 2ple n ALA 19 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2ple h GLN 20 N 0.00 0.00 -0.58 0.00 5.75 -1.93 -1.54 115.11 116.81 2ple h GLN 20 Ca -0.18 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.27 2ple h GLN 20 Cb 1.34 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.87 2ple h GLN 20 CO 0.01 0.00 0.16 0.00 -2.65 0.00 0.00 178.83 176.35 2ple h ALA 21 N 2.00 1.19 0.00 3.38 0.00 -1.78 -0.68 119.26 123.37 2ple h ALA 21 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 2ple h ALA 21 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2ple h ALA 21 CO 0.00 0.56 -1.02 0.93 0.00 0.00 0.00 179.25 179.72 2ple h GLU 22 N 0.86 0.00 0.00 0.00 3.07 -1.58 -3.23 114.58 113.70 2ple h GLU 22 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 2ple h GLU 22 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2ple h GLU 22 CO -0.01 0.59 0.00 1.25 -1.40 0.00 0.00 179.01 179.44 2ple h HIS 23 N 0.00 0.00 0.01 4.33 2.76 -1.19 -2.33 115.15 118.73 2ple h HIS 23 Ca -0.08 0.00 -0.24 0.00 -2.20 0.00 0.00 60.37 57.84 2ple h HIS 23 Cb 1.62 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.55 2ple h HIS 23 CO 0.00 0.00 -1.27 0.00 -1.30 0.00 0.00 177.93 175.36 2ple h MET 24 N 0.00 0.02 0.00 5.26 -0.00 -1.17 -3.06 114.93 115.99 2ple h MET 24 Ca 0.00 -0.04 -0.14 0.00 -0.00 0.00 0.00 59.70 59.52 2ple h MET 24 Cb 0.78 0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.38 2ple h MET 24 CO 0.00 0.85 -0.84 -0.07 -0.00 0.00 0.00 176.91 176.85 2ple h LEU 25 N 0.01 0.00 0.00 -0.10 3.38 -1.55 -3.24 115.31 113.80 2ple h LEU 25 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2ple h LEU 25 Cb 1.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.62 2ple h LEU 25 CO 0.12 0.58 -0.00 0.00 0.09 0.00 0.00 178.44 179.22 2ple h MET 26 N 0.00 0.00 -0.61 1.13 -0.00 -1.50 -3.14 114.93 110.81 2ple h MET 26 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2ple h MET 26 Cb 1.49 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.09 2ple h MET 26 CO 0.07 0.00 0.00 2.89 -0.00 0.00 0.00 176.91 179.87 2ple n ARG 27 N -3.08 4.26 -2.27 -0.10 1.85 -1.15 -4.96 116.66 111.20 2ple n ARG 27 Ca 0.04 -3.02 -0.28 0.00 -1.00 0.00 0.00 57.85 53.59 2ple n ARG 27 Cb 0.53 -2.07 0.02 0.00 -1.05 0.00 0.00 32.46 29.90 2ple n ARG 27 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2ple s VAL 28 N -2.28 4.04 -0.22 8.89 -7.23 -1.19 -5.02 120.40 117.40 2ple s VAL 28 Ca 0.53 0.26 -0.29 0.00 -1.81 0.00 0.00 61.98 60.67 2ple s VAL 28 Cb 0.37 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.71 2ple s VAL 28 CO 0.21 -0.68 1.09 -2.16 -0.31 0.00 0.00 175.10 173.25 2ple s PRO 29 N -5.04 4.25 0.33 4.82 0.04 -1.26 -4.78 135.00 133.36 2ple s PRO 29 Ca 0.53 1.43 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2ple s PRO 29 Cb -0.11 -3.67 0.00 0.00 0.04 0.00 0.00 34.50 30.76 2ple s PRO 29 CO 0.48 -0.65 0.00 -2.13 0.04 0.00 0.00 177.00 174.74 2ple n ARG 30 N 6.40 -2.70 -3.28 4.56 3.00 -1.26 -4.82 116.66 118.55 2ple n ARG 30 Ca 0.12 2.03 -0.41 0.00 -0.00 0.00 0.00 57.85 59.59 2ple n ARG 30 Cb 0.46 -2.33 -0.08 0.00 0.00 0.00 0.00 32.46 30.51 2ple n ARG 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2ple s ASP 31 N -3.17 6.28 0.00 6.15 1.11 -1.26 -4.86 116.67 120.91 2ple s ASP 31 Ca 0.00 -0.16 0.00 0.00 0.18 0.00 0.00 52.55 52.57 2ple s ASP 31 Cb 0.00 -2.25 0.00 0.00 1.07 0.00 0.00 42.92 41.74 2ple s ASP 31 CO 0.00 -0.48 0.00 0.61 1.18 0.00 0.00 175.17 176.48 2ple n GLY 32 N 4.87 2.32 3.65 0.21 0.00 -1.19 -3.41 105.19 111.63 2ple n GLY 32 Ca -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 2ple n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ple s ALA 33 N 0.00 -2.34 -0.14 4.61 0.00 -0.96 -4.73 121.76 118.21 2ple s ALA 33 Ca 0.00 1.91 -0.07 0.00 0.00 0.00 0.00 51.96 53.80 2ple s ALA 33 Cb 0.00 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 2ple s ALA 33 CO 0.00 -0.24 0.12 -0.59 0.00 0.00 0.00 175.76 175.06 2ple s PHE 34 N 0.63 3.51 0.29 0.00 -0.71 -1.02 -2.72 117.98 117.96 2ple s PHE 34 Ca -0.01 0.44 -0.04 0.00 -1.04 0.00 0.00 56.93 56.28 2ple s PHE 34 Cb -0.04 -1.97 -0.01 0.00 -1.21 0.00 0.00 43.02 39.79 2ple s PHE 34 CO -0.12 0.60 0.39 -0.51 -1.34 0.00 0.00 175.22 174.24 2ple s LEU 35 N -0.69 0.91 0.05 -1.99 1.02 0.39 -4.94 118.68 113.43 2ple s LEU 35 Ca 0.13 -1.34 0.02 0.00 0.02 0.00 0.00 54.13 52.97 2ple s LEU 35 Cb -0.12 1.26 -0.03 0.00 0.02 0.00 0.00 46.19 47.32 2ple s LEU 35 CO 0.03 -1.14 -0.08 -0.69 0.02 0.00 0.00 176.35 174.48 2ple s VAL 36 N -3.57 0.60 0.13 -1.59 1.01 -0.60 -1.34 120.40 115.04 2ple s VAL 36 Ca 0.31 -1.20 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 2ple s VAL 36 Cb 0.01 -0.77 0.07 0.00 0.00 0.00 0.00 36.38 35.69 2ple s VAL 36 CO 0.16 -0.43 0.93 0.00 0.00 0.00 0.00 175.10 175.76 2ple s ARG 37 N -1.87 1.14 0.45 2.72 1.04 -0.93 -1.94 118.95 119.57 2ple s ARG 37 Ca -0.07 -0.59 0.05 0.00 -1.04 0.00 0.00 55.73 54.07 2ple s ARG 37 Cb -0.08 0.41 -0.05 0.00 -2.04 0.00 0.00 34.95 33.19 2ple s ARG 37 CO -0.00 -0.52 0.02 0.15 -0.04 0.00 0.00 175.30 174.91 2ple s LYS 38 N -3.28 2.07 0.00 3.89 -0.14 -0.86 0.75 119.74 122.17 2ple s LYS 38 Ca 0.11 -2.22 0.00 0.00 -1.36 0.00 0.00 55.97 52.49 2ple s LYS 38 Cb -0.01 -1.61 0.00 0.00 -1.68 0.00 0.00 37.83 34.53 2ple s LYS 38 CO -0.00 -0.19 0.00 0.54 -0.76 0.00 0.00 175.35 174.94 2ple n ARG 39 N -1.11 2.91 -1.83 1.68 3.00 -1.26 -4.70 116.66 115.36 2ple n ARG 39 Ca -0.11 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.34 2ple n ARG 39 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.12 2ple n ARG 39 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2ple n ASN 40 N 0.00 8.12 -4.01 0.55 3.02 -1.26 -4.74 115.26 116.94 2ple n ASN 40 Ca 0.00 -3.02 -0.36 0.00 -0.03 0.00 0.00 54.58 51.16 2ple n ASN 40 Cb 0.00 -1.40 0.01 0.00 -0.61 0.00 0.00 39.78 37.78 2ple n ASN 40 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2ple n GLU 41 N 2.07 -0.43 0.00 3.52 0.00 -1.26 -4.90 120.64 119.65 2ple n GLU 41 Ca 0.65 -0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.75 2ple n GLU 41 Cb 0.26 -1.78 0.00 0.00 0.00 0.00 0.00 31.44 29.92 2ple n GLU 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 2ple n PRO 42 N -4.16 0.00 -2.67 3.44 -0.04 -1.26 -4.99 135.00 125.32 2ple n PRO 42 Ca -0.10 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.32 2ple n PRO 42 Cb 0.45 -0.36 0.05 0.00 -0.04 0.00 0.00 33.50 33.60 2ple n PRO 42 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ple n ASN 43 N -0.56 -1.33 0.00 3.54 4.05 -1.26 -5.15 115.26 114.55 2ple n ASN 43 Ca 0.00 -1.94 0.00 0.00 0.45 0.00 0.00 54.58 53.09 2ple n ASN 43 Cb 0.00 1.12 0.00 0.00 1.23 0.00 0.00 39.78 42.13 2ple n ASN 43 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2ple n SER 44 N -0.12 0.00 0.00 1.20 3.41 -1.26 -4.29 113.62 112.56 2ple n SER 44 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2ple n SER 44 Cb 0.71 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 2ple n SER 44 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2ple n TYR 45 N -0.68 0.00 -3.59 7.33 4.01 -0.66 -4.30 117.16 119.27 2ple n TYR 45 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.71 2ple n TYR 45 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 2ple n TYR 45 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2ple n ALA 46 N -3.00 -1.28 -3.67 -0.72 0.00 0.23 -2.35 120.51 109.71 2ple n ALA 46 Ca 0.00 -0.61 -0.18 0.00 0.00 0.00 0.00 53.44 52.64 2ple n ALA 46 Cb 0.00 0.41 -0.17 0.00 0.00 0.00 0.00 19.45 19.69 2ple n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ple s ILE 47 N -2.37 -0.19 -0.21 0.00 1.01 -0.88 -2.18 121.20 116.39 2ple s ILE 47 Ca 0.11 0.39 -0.06 0.00 0.00 0.00 0.00 60.65 61.09 2ple s ILE 47 Cb -0.02 -0.22 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 2ple s ILE 47 CO 0.04 0.16 0.03 -0.94 0.00 0.00 0.00 174.94 174.24 2ple s SER 48 N 2.23 5.10 0.03 3.58 1.04 -0.45 -0.61 113.70 124.63 2ple s SER 48 Ca 0.04 -0.13 -0.26 0.00 0.48 0.00 0.00 55.95 56.08 2ple s SER 48 Cb -0.12 -1.88 0.06 0.00 0.10 0.00 0.00 66.02 64.18 2ple s SER 48 CO -0.04 0.07 0.59 0.72 0.98 0.00 0.00 173.24 175.56 2ple s PHE 49 N 1.00 -0.54 0.28 5.02 -0.71 -0.97 -0.46 117.98 121.60 2ple s PHE 49 Ca 0.03 0.69 0.03 0.00 -1.04 0.00 0.00 56.93 56.64 2ple s PHE 49 Cb -0.14 0.41 -0.03 0.00 -1.21 0.00 0.00 43.02 42.05 2ple s PHE 49 CO 0.02 -0.67 0.25 -0.98 -1.34 0.00 0.00 175.22 172.51 2ple s ARG 50 N -2.21 1.57 -0.27 1.99 1.70 -1.10 -1.85 118.95 118.79 2ple s ARG 50 Ca -0.06 -1.84 -0.26 0.00 -0.47 0.00 0.00 55.73 53.10 2ple s ARG 50 Cb -0.01 0.32 0.13 0.00 -0.57 0.00 0.00 34.95 34.83 2ple s ARG 50 CO 0.01 -0.57 1.07 0.00 -1.08 0.00 0.00 175.30 174.72 2ple s ALA 51 N -3.67 -1.99 0.00 7.88 0.00 -1.25 -2.26 121.76 120.46 2ple s ALA 51 Ca 0.39 1.82 0.00 0.00 0.00 0.00 0.00 51.96 54.16 2ple s ALA 51 Cb 0.04 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.79 2ple s ALA 51 CO 0.21 -0.23 0.00 -1.91 0.00 0.00 0.00 175.76 173.83 2ple n GLU 52 N 1.92 0.00 -2.34 0.00 2.13 -1.22 -1.97 120.64 119.15 2ple n GLU 52 Ca -0.12 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.69 2ple n GLU 52 Cb 0.56 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.34 2ple n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ple n GLY 53 N 0.00 1.62 2.47 8.31 0.00 -1.26 -4.71 105.19 111.62 2ple n GLY 53 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 2ple n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ple s LYS 54 N -1.14 0.50 0.81 1.61 -2.85 -0.83 -5.13 119.74 112.70 2ple s LYS 54 Ca 0.16 -1.22 -0.11 0.00 -1.00 0.00 0.00 55.97 53.80 2ple s LYS 54 Cb 0.34 -1.27 0.08 0.00 -2.06 0.00 0.00 37.83 34.91 2ple s LYS 54 CO -0.09 -1.19 1.12 0.42 0.10 0.00 0.00 175.35 175.72 2ple s ILE 55 N 1.21 2.82 -0.29 3.79 1.09 -1.26 -3.87 121.20 124.67 2ple s ILE 55 Ca 0.17 0.28 -0.19 0.00 -1.10 0.00 0.00 60.65 59.81 2ple s ILE 55 Cb -0.22 -2.62 0.18 0.00 -1.06 0.00 0.00 42.46 38.74 2ple s ILE 55 CO -0.04 -0.33 1.21 -1.59 -0.10 0.00 0.00 174.94 174.09 2ple s LYS 56 N -4.69 0.17 -0.12 2.79 -2.85 -0.77 -4.98 119.74 109.30 2ple s LYS 56 Ca 0.64 0.27 0.00 0.00 -1.00 0.00 0.00 55.97 55.88 2ple s LYS 56 Cb -0.20 0.05 0.02 0.00 -2.06 0.00 0.00 37.83 35.64 2ple s LYS 56 CO 0.55 -0.03 -0.11 -1.01 0.10 0.00 0.00 175.35 174.85 2ple s HIS 57 N 0.82 1.74 0.22 1.78 0.09 -1.26 -2.30 115.29 116.38 2ple s HIS 57 Ca -0.04 -0.88 -0.04 0.00 -0.00 0.00 0.00 55.06 54.10 2ple s HIS 57 Cb -0.03 -1.35 0.05 0.00 -0.00 0.00 0.00 32.58 31.25 2ple s HIS 57 CO -0.12 -0.53 0.28 0.00 -0.00 0.00 0.00 174.74 174.37 2ple s ARG 59 N -3.62 0.46 -0.25 0.00 3.03 -1.26 -2.06 118.95 115.25 2ple s ARG 59 Ca 0.16 -0.49 0.00 0.00 2.03 0.00 0.00 55.73 57.43 2ple s ARG 59 Cb -0.01 0.18 0.07 0.00 -1.03 0.00 0.00 34.95 34.17 2ple s ARG 59 CO 0.12 -0.10 -0.01 0.14 -1.13 0.00 0.00 175.30 174.32 2ple s VAL 60 N -1.55 1.29 -0.22 4.99 -7.23 -0.99 -4.33 120.40 112.35 2ple s VAL 60 Ca -0.14 -1.20 -0.06 0.00 -1.81 0.00 0.00 61.98 58.77 2ple s VAL 60 Cb -0.07 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 2ple s VAL 60 CO 0.00 -0.25 0.03 -1.10 -0.31 0.00 0.00 175.10 173.48 2ple s GLN 61 N 1.48 3.66 0.04 4.82 -0.21 -0.72 -1.65 119.66 127.08 2ple s GLN 61 Ca -0.01 -0.49 -0.23 0.00 0.02 0.00 0.00 55.36 54.65 2ple s GLN 61 Cb -0.18 -3.18 -0.06 0.00 1.00 0.00 0.00 33.01 30.59 2ple s GLN 61 CO -0.09 -0.05 0.69 -0.65 -2.12 0.00 0.00 175.29 173.06 2ple s GLN 62 N 1.20 4.41 -0.29 2.91 -0.21 -1.26 -0.88 119.66 125.54 2ple s GLN 62 Ca 0.04 0.93 0.04 0.00 0.02 0.00 0.00 55.36 56.38 2ple s GLN 62 Cb -0.14 -3.34 0.18 0.00 1.00 0.00 0.00 33.01 30.71 2ple s GLN 62 CO 0.02 0.37 0.49 -1.83 -2.12 0.00 0.00 175.29 172.22 2ple s GLU 63 N -0.29 0.48 0.00 2.91 -1.05 -0.64 -4.93 118.70 115.18 2ple s GLU 63 Ca 0.35 0.28 0.00 0.00 -0.15 0.00 0.00 54.97 55.45 2ple s GLU 63 Cb -0.20 -0.08 0.00 0.00 -0.44 0.00 0.00 34.13 33.42 2ple s GLU 63 CO 0.21 -1.05 0.00 0.41 0.95 0.00 0.00 175.26 175.78 2ple n GLY 64 N 5.36 1.02 2.77 -3.83 0.00 -1.26 -4.41 105.19 104.84 2ple n GLY 64 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 2ple n GLY 64 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ple n GLN 65 N -0.01 -1.54 -4.41 1.61 1.13 -1.26 -4.93 117.38 107.97 2ple n GLN 65 Ca 0.00 0.39 -0.21 0.00 -1.94 0.00 0.00 57.00 55.25 2ple n GLN 65 Cb 0.00 -4.55 -0.10 0.00 0.11 0.00 0.00 30.24 25.71 2ple n GLN 65 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2ple s THR 66 N -1.25 0.72 0.11 5.09 2.01 -1.26 -5.10 115.64 115.96 2ple s THR 66 Ca 0.00 -2.00 0.07 0.00 0.31 0.00 0.00 61.69 60.07 2ple s THR 66 Cb 0.00 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 2ple s THR 66 CO 0.00 0.00 -0.07 0.54 -0.69 0.00 0.00 174.62 174.40 2ple s VAL 67 N -3.46 3.55 -0.23 3.82 0.11 -1.12 -1.62 120.40 121.45 2ple s VAL 67 Ca 0.34 -1.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 2ple s VAL 67 Cb 0.06 -2.68 0.03 0.00 -1.53 0.00 0.00 36.38 32.27 2ple s VAL 67 CO 0.15 0.10 -0.12 -0.32 -3.33 0.00 0.00 175.10 171.58 2ple s MET 68 N -2.29 2.75 0.00 1.54 1.75 -0.06 -1.10 119.30 121.89 2ple s MET 68 Ca 0.23 -1.01 0.29 0.00 -1.25 0.00 0.00 55.69 53.94 2ple s MET 68 Cb -0.11 -2.83 1.19 0.00 2.84 0.00 0.00 34.83 35.92 2ple s MET 68 CO 0.15 -0.38 1.89 1.47 -0.65 0.00 0.00 175.02 177.51 2ple n LEU 69 N 4.60 0.05 0.00 4.11 -0.00 -0.96 -1.75 117.00 123.04 2ple n LEU 69 Ca -0.17 0.44 0.00 0.00 -0.00 0.00 0.00 56.01 56.28 2ple n LEU 69 Cb 0.47 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2ple n LEU 69 CO 0.25 0.01 0.00 0.61 -0.00 0.00 0.00 177.39 178.26 2ple n GLY 70 N 1.49 1.23 0.01 1.47 0.00 -1.26 -4.59 105.19 103.54 2ple n GLY 70 Ca 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 2ple n GLY 70 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ple n ASN 71 N 0.00 3.92 -4.85 1.61 5.03 -1.26 -5.06 115.26 114.65 2ple n ASN 71 Ca 0.00 -0.00 -0.21 0.00 0.87 0.00 0.00 54.58 55.23 2ple n ASN 71 Cb 0.00 -0.01 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 2ple n ASN 71 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2ple s SER 72 N -4.06 5.28 -0.24 6.41 0.15 -1.26 -5.10 113.70 114.88 2ple s SER 72 Ca -0.01 -0.49 -0.05 0.00 0.70 0.00 0.00 55.95 56.10 2ple s SER 72 Cb 0.00 -0.98 -0.01 0.00 -1.71 0.00 0.00 66.02 63.32 2ple s SER 72 CO 0.01 -0.34 0.00 -1.61 1.20 0.00 0.00 173.24 172.51 2ple s GLU 73 N -3.98 3.43 0.00 5.44 2.02 -1.26 -2.26 118.70 122.08 2ple s GLU 73 Ca 0.40 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.79 2ple s GLU 73 Cb -0.06 -3.14 0.00 0.00 0.10 0.00 0.00 34.13 31.03 2ple s GLU 73 CO 0.26 -0.22 0.00 1.19 0.02 0.00 0.00 175.26 176.51 2ple n PHE 74 N 4.84 0.00 -0.07 1.61 3.01 -0.26 -4.87 117.46 121.72 2ple n PHE 74 Ca -0.17 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.10 2ple n PHE 74 Cb 0.51 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.85 2ple n PHE 74 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 2ple h ASP 75 N 0.00 0.06 -3.45 4.37 5.19 -1.95 -2.96 116.42 117.68 2ple h ASP 75 Ca 0.00 -0.73 0.24 0.00 -0.62 0.00 0.00 57.03 55.91 2ple h ASP 75 Cb 0.00 -0.02 -0.25 0.00 0.18 0.00 0.00 39.33 39.24 2ple h ASP 75 CO 0.00 1.34 0.90 -0.94 -3.12 0.00 0.00 179.24 177.42 2ple s SER 76 N -6.66 -0.08 0.64 6.45 1.04 -1.26 -4.06 113.70 109.77 2ple s SER 76 Ca -0.24 0.07 0.16 0.00 0.48 0.00 0.00 55.95 56.42 2ple s SER 76 Cb 0.03 0.07 0.76 0.00 0.10 0.00 0.00 66.02 66.98 2ple s SER 76 CO 0.65 -0.09 1.40 0.17 0.98 0.00 0.00 173.24 176.35 2ple h LEU 77 N 2.10 0.00 -0.00 2.42 8.10 -1.96 0.10 115.31 126.06 2ple h LEU 77 Ca -0.09 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.90 2ple h LEU 77 Cb 1.17 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.39 2ple h LEU 77 CO 0.23 0.00 -0.01 0.58 -4.11 0.00 0.00 178.44 175.13 2ple h VAL 78 N 0.00 1.43 0.00 0.15 2.07 -1.99 -1.57 116.25 116.34 2ple h VAL 78 Ca 0.11 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2ple h VAL 78 Cb 1.73 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.78 2ple h VAL 78 CO -0.00 0.33 0.00 0.47 0.02 0.00 0.00 177.57 178.39 2ple n ASP 79 N -4.82 0.67 0.09 0.57 8.00 0.26 -2.18 116.55 119.13 2ple n ASP 79 Ca -0.09 0.58 -0.13 0.00 0.71 0.00 0.00 54.79 55.86 2ple n ASP 79 Cb 0.28 -0.75 -0.13 0.00 -0.02 0.00 0.00 41.12 40.50 2ple n ASP 79 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ple h LEU 80 N 0.00 0.29 -0.06 0.64 -0.00 -1.22 -2.84 115.31 112.13 2ple h LEU 80 Ca 0.00 -0.31 -0.22 0.00 -0.00 0.00 0.00 57.88 57.34 2ple h LEU 80 Cb 0.64 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 2ple h LEU 80 CO 0.00 1.24 -1.03 0.40 -0.00 0.00 0.00 178.44 179.05 2ple h ILE 81 N 0.05 1.59 0.67 1.22 5.03 -1.15 -2.44 117.51 122.48 2ple h ILE 81 Ca -0.09 -3.06 -0.03 0.00 -0.12 0.00 0.00 64.86 61.55 2ple h ILE 81 Cb 1.90 2.76 0.01 0.00 -3.03 0.00 0.00 36.82 38.45 2ple h ILE 81 CO 0.18 0.89 -0.32 -1.28 -0.68 0.00 0.00 178.15 176.93 2ple h SER 82 N 0.05 -0.77 0.31 1.72 0.87 -1.43 -0.68 113.55 113.62 2ple h SER 82 Ca -0.06 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 2ple h SER 82 Cb 1.74 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.90 2ple h SER 82 CO 0.15 -0.54 0.00 0.00 -0.53 0.00 0.00 176.83 175.91 2ple n TYR 83 N -5.47 0.00 0.11 2.24 4.11 -1.08 -1.99 117.16 115.08 2ple n TYR 83 Ca -0.14 0.00 0.10 0.00 -0.00 0.00 0.00 57.90 57.87 2ple n TYR 83 Cb 0.37 -0.27 0.01 0.00 -0.00 0.00 0.00 39.34 39.45 2ple n TYR 83 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 2ple h TYR 84 N 0.00 0.00 -0.42 -3.48 3.20 -0.66 -0.97 116.97 114.64 2ple h TYR 84 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2ple h TYR 84 Cb 0.15 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 2ple h TYR 84 CO 0.00 0.06 0.09 1.49 -1.64 0.00 0.00 178.16 178.17 2ple h GLU 85 N 0.00 0.67 0.03 1.82 4.81 -0.58 -3.32 114.58 118.02 2ple h GLU 85 Ca -0.02 -0.17 -0.38 0.00 -0.13 0.00 0.00 59.36 58.66 2ple h GLU 85 Cb 1.06 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 30.30 2ple h GLU 85 CO 0.01 0.69 -2.29 1.17 -0.73 0.00 0.00 179.01 177.86 2ple n LYS 86 N -4.53 0.67 -2.83 1.92 4.81 -1.25 -4.80 118.16 112.14 2ple n LYS 86 Ca -0.00 0.22 -0.28 0.00 -0.87 0.00 0.00 58.31 57.38 2ple n LYS 86 Cb 0.21 -1.58 -0.01 0.00 0.02 0.00 0.00 35.03 33.67 2ple n LYS 86 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2ple s HIS 87 N -2.52 3.53 0.43 5.64 2.46 -0.37 -5.07 115.29 119.39 2ple s HIS 87 Ca -0.32 0.82 -0.21 0.00 0.47 0.00 0.00 55.06 55.82 2ple s HIS 87 Cb 0.09 -2.28 -0.11 0.00 -0.13 0.00 0.00 32.58 30.15 2ple s HIS 87 CO 0.63 -0.15 0.95 -1.25 -2.47 0.00 0.00 174.74 172.45 2ple s PRO 88 N -4.34 4.24 0.00 2.88 0.04 -1.26 -4.19 135.00 132.36 2ple s PRO 88 Ca 0.47 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.65 2ple s PRO 88 Cb -0.10 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2ple s PRO 88 CO 0.39 -0.03 0.00 -0.11 0.04 0.00 0.00 177.00 177.29 2ple n LEU 89 N -0.60 0.00 -4.99 -3.56 7.94 -1.26 -4.93 117.00 109.61 2ple n LEU 89 Ca 0.07 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.75 2ple n LEU 89 Cb 0.54 -0.13 0.06 0.00 0.53 0.00 0.00 43.42 44.42 2ple n LEU 89 CO 0.37 -0.45 0.43 -0.47 -1.11 0.00 0.00 177.39 176.16 2ple s TYR 90 N -0.90 2.28 -1.36 1.96 5.04 -1.26 -4.97 117.35 118.14 2ple s TYR 90 Ca 0.00 -0.17 -0.08 0.00 -2.44 0.00 0.00 57.07 54.37 2ple s TYR 90 Cb 0.00 -2.79 0.10 0.00 0.35 0.00 0.00 41.96 39.62 2ple s TYR 90 CO 0.00 -1.19 2.24 2.89 -1.34 0.00 0.00 175.55 178.15 2ple n ARG 91 N -2.50 3.92 0.00 4.97 0.00 -1.26 -4.50 116.66 117.30 2ple n ARG 91 Ca 0.11 -3.24 0.00 0.00 -0.00 0.00 0.00 57.85 54.72 2ple n ARG 91 Cb 0.60 -2.83 0.00 0.00 -0.00 0.00 0.00 32.46 30.23 2ple n ARG 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2ple n LYS 92 N 3.24 0.00 -1.99 2.89 2.85 -1.26 -5.15 118.16 118.74 2ple n LYS 92 Ca 0.54 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.55 2ple n LYS 92 Cb 0.30 0.00 0.16 0.00 -0.65 0.00 0.00 35.03 34.85 2ple n LYS 92 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2ple n MET 93 N -0.24 -0.82 -2.77 -1.58 2.81 -1.26 -5.05 117.12 108.21 2ple n MET 93 Ca 0.00 -2.12 -0.09 0.00 -1.81 0.00 0.00 57.70 53.68 2ple n MET 93 Cb 0.00 -1.05 0.08 0.00 -0.71 0.00 0.00 33.22 31.54 2ple n MET 93 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ple n LYS 94 N -3.31 1.09 -2.64 0.03 5.02 -1.26 -4.41 118.16 112.68 2ple n LYS 94 Ca 0.15 -2.17 -0.15 0.00 -2.02 0.00 0.00 58.31 54.12 2ple n LYS 94 Cb 0.54 -0.78 -0.00 0.00 -0.02 0.00 0.00 35.03 34.76 2ple n LYS 94 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2ple n LEU 95 N -0.02 -1.28 0.00 -0.35 0.00 -1.26 -4.75 117.00 109.34 2ple n LEU 95 Ca 0.05 0.07 0.07 0.00 0.00 0.00 0.00 56.01 56.21 2ple n LEU 95 Cb 0.76 -2.17 0.39 0.00 0.00 0.00 0.00 43.42 42.40 2ple n LEU 95 CO 0.04 -0.06 0.70 -1.14 0.00 0.00 0.00 177.39 176.93 2ple n ARG 96 N -3.03 0.26 -3.12 1.96 3.00 -1.26 -3.46 116.66 111.01 2ple n ARG 96 Ca -0.12 0.12 -0.24 0.00 -0.00 0.00 0.00 57.85 57.62 2ple n ARG 96 Cb 0.60 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.51 2ple n ARG 96 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.63 180.11 2ple n TYR 97 N -1.24 2.19 -0.23 -0.14 0.18 -1.26 -4.90 117.16 111.76 2ple n TYR 97 Ca 0.08 -3.91 -0.08 0.00 1.88 0.00 0.00 57.90 55.87 2ple n TYR 97 Cb 0.11 -0.46 0.03 0.00 -0.38 0.00 0.00 39.34 38.64 2ple n TYR 97 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43 2ple n PRO 98 N 0.27 1.40 -4.08 -3.48 -0.04 -1.22 -2.43 135.00 125.41 2ple n PRO 98 Ca 0.28 -0.85 -0.20 0.00 -0.04 0.00 0.00 63.50 62.69 2ple n PRO 98 Cb 0.50 -1.33 -0.07 0.00 -0.04 0.00 0.00 33.50 32.56 2ple n PRO 98 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2ple n ILE 99 N 0.51 0.00 -2.01 0.52 5.41 -1.26 -5.04 119.36 117.48 2ple n ILE 99 Ca 0.16 -2.18 -0.02 0.00 1.00 0.00 0.00 62.75 61.72 2ple n ILE 99 Cb 0.66 0.96 -0.02 0.00 -0.71 0.00 0.00 39.64 40.54 2ple n ILE 99 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 2ple n ASN 100 N -1.72 -0.25 -2.78 4.38 5.15 -1.26 -4.85 115.26 113.93 2ple n ASN 100 Ca 0.02 -1.37 0.00 0.00 -0.60 0.00 0.00 54.58 52.63 2ple n ASN 100 Cb 0.55 0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 2ple n ASN 100 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2ple n GLU 101 N 0.01 1.65 0.00 1.20 2.13 -1.26 -5.04 120.64 119.34 2ple n GLU 101 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 2ple n GLU 101 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 2ple n GLU 101 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2ple n GLU 102 N 0.00 2.87 -1.53 5.31 0.28 -1.26 -4.71 120.64 121.60 2ple n GLU 102 Ca 0.00 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.67 2ple n GLU 102 Cb 0.00 -0.97 0.03 0.00 1.43 0.00 0.00 31.44 31.93 2ple n GLU 102 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 2ple n ASN 103 N -1.79 7.24 -4.48 -1.84 0.23 -1.26 -4.91 115.26 108.45 2ple n ASN 103 Ca 0.00 -3.60 -0.42 0.00 -0.53 0.00 0.00 54.58 50.04 2ple n ASN 103 Cb 0.35 -1.08 -0.10 0.00 -2.08 0.00 0.00 39.78 36.87 2ple n ASN 103 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2ple s SER 104 N -0.84 6.04 0.00 0.53 1.04 -1.26 -5.21 113.70 114.00 2ple s SER 104 Ca 0.54 -0.70 0.32 0.00 0.48 0.00 0.00 55.95 56.59 2ple s SER 104 Cb 0.42 -2.14 1.91 0.00 0.10 0.00 0.00 66.02 66.31 2ple s SER 104 CO -0.21 -0.35 2.23 -1.20 0.98 0.00 0.00 173.24 174.69