#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fci h SER 2 N 0.00 -0.69 -1.73 1.61 4.64 -2.07 -3.43 113.55 111.87 2fci h SER 2 Ca 0.00 0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 2fci h SER 2 Cb 0.00 0.21 0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2fci h SER 2 CO 0.00 -0.43 0.01 -0.81 -0.87 0.00 0.00 176.83 174.73 2fci n PRO 3 N -5.41 -0.75 0.00 4.77 -0.04 -1.26 -5.04 135.00 127.27 2fci n PRO 3 Ca -0.11 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2fci n PRO 3 Cb 0.31 -0.06 0.00 0.00 -0.04 0.00 0.00 33.50 33.71 2fci n PRO 3 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fci n GLY 4 N 3.00 0.58 4.71 0.55 0.00 -1.26 -4.79 105.19 107.97 2fci n GLY 4 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2fci n GLY 4 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2fci n ILE 5 N 0.00 0.00 -0.08 -0.61 -0.00 -1.26 -4.30 119.36 113.11 2fci n ILE 5 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 62.75 62.65 2fci n ILE 5 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.61 2fci n ILE 5 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2fci n HIS 6 N 0.00 0.00 -0.11 1.39 8.25 -1.26 -4.64 115.22 118.85 2fci n HIS 6 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2fci n HIS 6 Cb 0.00 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 30.60 2fci n HIS 6 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 2fci h GLU 7 N -0.87 0.60 0.00 -0.41 3.07 -1.91 -3.44 114.58 111.63 2fci h GLU 7 Ca -0.06 -0.24 -0.36 0.00 -0.50 0.00 0.00 59.36 58.20 2fci h GLU 7 Cb 0.94 -0.03 0.09 0.00 -0.84 0.00 0.00 28.75 28.91 2fci h GLU 7 CO -0.04 0.80 0.17 -1.13 -1.40 0.00 0.00 179.01 177.42 2fci n SER 8 N -4.45 0.74 -0.83 1.42 3.41 -1.26 -5.07 113.62 107.58 2fci n SER 8 Ca -0.03 -1.73 -0.04 0.00 -0.26 0.00 0.00 58.87 56.81 2fci n SER 8 Cb 0.33 -0.61 -0.04 0.00 -0.26 0.00 0.00 64.21 63.63 2fci n SER 8 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2fci n LYS 9 N -2.73 0.03 -1.99 4.33 3.00 -1.26 -4.40 118.16 115.14 2fci n LYS 9 Ca 0.13 -0.57 -0.38 0.00 -0.00 0.00 0.00 58.31 57.49 2fci n LYS 9 Cb 0.47 0.49 -0.03 0.00 0.00 0.00 0.00 35.03 35.96 2fci n LYS 9 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2fci n GLU 10 N -0.03 2.29 -0.26 1.64 0.00 -1.26 -4.58 120.64 118.45 2fci n GLU 10 Ca -0.16 -2.62 0.11 0.00 0.00 0.00 0.00 57.16 54.49 2fci n GLU 10 Cb 0.51 -3.42 0.27 0.00 0.00 0.00 0.00 31.44 28.80 2fci n GLU 10 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00 2fci n TRP 11 N 9.74 0.68 0.16 4.31 -0.00 -1.26 -4.28 117.44 126.79 2fci n TRP 11 Ca 0.48 -0.34 0.18 0.00 -0.00 0.00 0.00 57.50 57.83 2fci n TRP 11 Cb 0.44 0.00 0.71 0.00 -0.00 0.00 0.00 31.31 32.46 2fci n TRP 11 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 2fci h TYR 12 N 3.95 0.00 -0.07 5.87 5.03 -1.90 -3.37 116.97 126.48 2fci h TYR 12 Ca 0.00 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.17 2fci h TYR 12 Cb 0.89 0.00 0.03 0.00 1.55 0.00 0.00 36.73 39.20 2fci h TYR 12 CO 0.34 0.00 0.34 -2.39 -1.32 0.00 0.00 178.16 175.14 2fci n HIS 13 N -3.35 0.75 0.01 -3.82 1.44 -1.25 -4.13 115.22 104.87 2fci n HIS 13 Ca 0.05 -0.28 0.00 0.00 -2.01 0.00 0.00 57.72 55.48 2fci n HIS 13 Cb 0.63 -2.20 0.00 0.00 0.12 0.00 0.00 29.99 28.54 2fci n HIS 13 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2fci n ALA 14 N 17.45 2.76 -3.15 1.59 0.00 -1.26 -5.00 120.51 132.90 2fci n ALA 14 Ca 0.42 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.91 2fci n ALA 14 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.91 2fci n ALA 14 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2fci s SER 15 N -3.80 -1.35 0.00 0.00 0.01 -1.26 -5.01 113.70 102.29 2fci s SER 15 Ca 0.00 0.09 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2fci s SER 15 Cb 0.00 1.84 0.00 0.00 0.21 0.00 0.00 66.02 68.07 2fci s SER 15 CO 0.00 -0.24 0.00 0.00 0.41 0.00 0.00 173.24 173.41 2fci n LEU 16 N 5.26 0.00 -4.93 2.44 -0.00 -1.26 -5.10 117.00 113.41 2fci n LEU 16 Ca 0.06 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.82 2fci n LEU 16 Cb 0.55 0.00 0.05 0.00 -0.00 0.00 0.00 43.42 44.02 2fci n LEU 16 CO -0.08 0.00 0.55 0.42 -0.00 0.00 0.00 177.39 178.28 2fci s THR 17 N 1.22 2.73 0.00 1.47 -4.23 -1.26 -4.73 115.64 110.84 2fci s THR 17 Ca 0.00 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.24 2fci s THR 17 Cb 0.00 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.71 2fci s THR 17 CO 0.00 -0.13 0.00 0.54 -0.54 0.00 0.00 174.62 174.49 2fci n ARG 18 N -2.72 3.16 -0.19 3.99 1.74 -1.26 -3.46 116.66 117.91 2fci n ARG 18 Ca 0.07 0.00 0.29 0.00 -0.77 0.00 0.00 57.85 57.44 2fci n ARG 18 Cb 0.60 0.00 0.55 0.00 -1.02 0.00 0.00 32.46 32.58 2fci n ARG 18 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2fci h ALA 19 N -1.58 2.87 -0.84 7.54 0.00 -1.96 0.10 119.26 125.39 2fci h ALA 19 Ca 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.02 2fci h ALA 19 Cb 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.77 2fci h ALA 19 CO 0.00 -1.57 0.42 0.37 0.00 0.00 0.00 179.25 178.48 2fci h GLN 20 N 0.00 0.58 -0.17 0.00 4.15 -1.98 0.42 115.11 118.11 2fci h GLN 20 Ca 0.47 -0.04 -0.22 0.00 0.77 0.00 0.00 58.65 59.64 2fci h GLN 20 Cb 2.58 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 30.15 2fci h GLN 20 CO -0.00 0.39 -0.74 0.00 -1.93 0.00 0.00 178.83 176.54 2fci h ALA 21 N 1.56 0.35 0.13 3.38 0.00 -1.05 -1.17 119.26 122.46 2fci h ALA 21 Ca 0.46 -0.59 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2fci h ALA 21 Cb 0.65 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2fci h ALA 21 CO -0.37 0.69 -0.29 0.93 0.00 0.00 0.00 179.25 180.21 2fci h GLU 22 N 0.55 -0.49 -0.58 0.00 5.08 -0.87 -1.52 114.58 116.75 2fci h GLU 22 Ca -0.04 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2fci h GLU 22 Cb 1.36 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.70 2fci h GLU 22 CO 0.15 -0.33 0.02 0.45 -1.00 0.00 0.00 179.01 178.30 2fci h HIS 23 N -0.51 1.08 -0.24 4.33 3.86 -0.32 -0.98 115.15 122.36 2fci h HIS 23 Ca 0.03 -0.17 0.03 0.00 -1.16 0.00 0.00 60.37 59.10 2fci h HIS 23 Cb 0.54 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 2fci h HIS 23 CO -0.26 0.95 0.08 1.98 0.86 0.00 0.00 177.93 181.54 2fci h MET 24 N 0.92 0.18 -0.04 2.45 1.85 -0.80 0.75 114.93 120.25 2fci h MET 24 Ca 0.17 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.22 2fci h MET 24 Cb 0.51 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.50 2fci h MET 24 CO 0.02 0.12 -0.09 -0.07 -0.40 0.00 0.00 176.91 176.49 2fci h LEU 25 N 0.18 0.15 -1.38 3.39 -0.00 -1.20 -0.80 115.31 115.65 2fci h LEU 25 Ca 0.11 -0.59 0.13 0.00 -0.00 0.00 0.00 57.88 57.53 2fci h LEU 25 Cb 0.08 -0.04 -0.06 0.00 -0.00 0.00 0.00 40.66 40.64 2fci h LEU 25 CO -0.12 0.70 0.54 -0.03 -0.00 0.00 0.00 178.44 179.53 2fci h MET 26 N -0.41 0.62 0.00 1.13 4.05 -1.10 -1.03 114.93 118.20 2fci h MET 26 Ca -0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2fci h MET 26 Cb 0.68 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 2fci h MET 26 CO 0.02 0.41 -0.26 0.07 0.23 0.00 0.00 176.91 177.38 2fci h ARG 27 N 0.64 0.00 -6.07 0.39 -0.00 -0.76 -3.48 114.38 105.09 2fci h ARG 27 Ca 0.40 0.00 -0.58 0.00 -0.00 0.00 0.00 59.98 59.80 2fci h ARG 27 Cb 0.66 0.00 0.20 0.00 -0.00 0.00 0.00 29.97 30.83 2fci h ARG 27 CO -0.16 0.00 -1.34 1.33 -0.00 0.00 0.00 179.97 179.80 2fci n VAL 28 N -2.81 0.18 0.17 0.08 0.24 -0.31 -4.92 118.33 110.95 2fci n VAL 28 Ca 0.03 -0.49 -0.10 0.00 -2.04 0.00 0.00 64.34 61.74 2fci n VAL 28 Cb 0.51 -0.08 -0.06 0.00 -1.47 0.00 0.00 33.84 32.75 2fci n VAL 28 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2fci h PRO 29 N -0.42 -0.48 -7.09 7.34 0.13 -1.86 -3.45 132.00 126.17 2fci h PRO 29 Ca -0.43 0.03 -0.51 0.00 -0.87 0.00 0.00 66.00 64.23 2fci h PRO 29 Cb 1.38 0.11 0.08 0.00 0.13 0.00 0.00 31.00 32.70 2fci h PRO 29 CO 0.35 -0.20 0.43 1.03 -0.23 0.00 0.00 178.00 179.38 2fci s ARG 30 N -3.71 3.27 0.81 0.86 0.52 -1.19 -4.81 118.95 114.71 2fci s ARG 30 Ca -0.11 1.63 -0.11 0.00 -0.52 0.00 0.00 55.73 56.62 2fci s ARG 30 Cb 0.01 -1.99 0.08 0.00 0.52 0.00 0.00 34.95 33.56 2fci s ARG 30 CO 0.36 -0.92 1.09 -0.51 0.02 0.00 0.00 175.30 175.35 2fci s ASP 31 N -1.79 4.27 0.00 0.23 1.01 -1.26 -4.40 116.67 114.73 2fci s ASP 31 Ca 0.73 1.58 0.00 0.00 0.71 0.00 0.00 52.55 55.57 2fci s ASP 31 Cb -0.25 -2.31 0.00 0.00 1.01 0.00 0.00 42.92 41.38 2fci s ASP 31 CO 0.28 -2.15 0.00 0.61 0.21 0.00 0.00 175.17 174.13 2fci n GLY 32 N -1.46 1.79 2.60 0.21 0.00 0.55 -4.60 105.19 104.27 2fci n GLY 32 Ca 0.08 -0.73 -0.03 0.00 0.00 0.00 0.00 46.02 45.34 2fci n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fci n ALA 33 N 0.23 -2.53 -3.61 4.61 0.00 -1.26 0.17 120.51 118.11 2fci n ALA 33 Ca 0.00 1.31 -0.21 0.00 0.00 0.00 0.00 53.44 54.53 2fci n ALA 33 Cb 0.00 -2.82 -0.16 0.00 0.00 0.00 0.00 19.45 16.46 2fci n ALA 33 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2fci s PHE 34 N -0.45 0.93 -0.30 0.00 0.08 -1.24 -2.73 117.98 114.28 2fci s PHE 34 Ca -0.14 -0.30 -0.16 0.00 0.12 0.00 0.00 56.93 56.44 2fci s PHE 34 Cb 0.01 -0.79 0.20 0.00 -0.57 0.00 0.00 43.02 41.87 2fci s PHE 34 CO 0.39 -0.23 1.24 -1.17 -0.10 0.00 0.00 175.22 175.34 2fci s LEU 35 N 0.97 -0.10 -0.26 -0.37 2.96 -1.20 -4.89 118.68 115.79 2fci s LEU 35 Ca -0.10 0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.87 2fci s LEU 35 Cb -0.14 1.14 -0.04 0.00 0.50 0.00 0.00 46.19 47.65 2fci s LEU 35 CO 0.00 -0.02 0.12 -0.69 -1.32 0.00 0.00 176.35 174.44 2fci s VAL 36 N 1.20 4.78 0.31 1.68 1.01 -1.26 0.12 120.40 128.24 2fci s VAL 36 Ca -0.07 -0.01 0.09 0.00 0.00 0.00 0.00 61.98 61.99 2fci s VAL 36 Cb -0.02 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 2fci s VAL 36 CO -0.11 0.31 -0.11 0.00 0.00 0.00 0.00 175.10 175.19 2fci s ARG 37 N 1.58 1.70 -0.21 2.72 3.03 -1.26 -3.91 118.95 122.60 2fci s ARG 37 Ca 0.06 -1.85 -0.28 0.00 2.03 0.00 0.00 55.73 55.70 2fci s ARG 37 Cb -0.15 -1.55 0.00 0.00 -1.03 0.00 0.00 34.95 32.22 2fci s ARG 37 CO 0.06 0.16 0.99 0.21 -1.13 0.00 0.00 175.30 175.59 2fci s LYS 38 N -3.62 4.27 0.48 3.89 2.36 -1.23 -3.90 119.74 121.99 2fci s LYS 38 Ca 0.31 1.28 -0.01 0.00 -2.55 0.00 0.00 55.97 55.00 2fci s LYS 38 Cb 0.01 -3.62 0.00 0.00 -1.05 0.00 0.00 37.83 33.17 2fci s LYS 38 CO 0.15 -0.55 0.71 1.03 1.55 0.00 0.00 175.35 178.24 2fci s ARG 39 N 2.93 3.02 0.00 4.03 0.52 -1.26 -4.24 118.95 123.95 2fci s ARG 39 Ca 0.43 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 2fci s ARG 39 Cb -0.16 -2.51 0.00 0.00 0.52 0.00 0.00 34.95 32.81 2fci s ARG 39 CO 0.08 -0.36 0.62 -1.71 0.02 0.00 0.00 175.30 173.95 2fci n ASN 40 N -2.17 0.14 -4.88 0.23 5.15 -1.26 -4.84 115.26 107.62 2fci n ASN 40 Ca 0.02 -1.38 -0.29 0.00 -0.60 0.00 0.00 54.58 52.33 2fci n ASN 40 Cb 0.58 -0.07 0.09 0.00 -0.53 0.00 0.00 39.78 39.85 2fci n ASN 40 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2fci s GLU 41 N -1.80 1.90 0.02 1.20 1.03 -1.26 -5.01 118.70 114.78 2fci s GLU 41 Ca 0.00 0.16 -0.19 0.00 0.03 0.00 0.00 54.97 54.96 2fci s GLU 41 Cb 0.00 -1.94 -0.21 0.00 -0.80 0.00 0.00 34.13 31.18 2fci s GLU 41 CO 0.00 -1.65 1.15 -1.00 -1.33 0.00 0.00 175.26 172.43 2fci h PRO 42 N -1.10 0.43 -1.43 -4.83 0.13 -2.04 -3.42 132.00 119.75 2fci h PRO 42 Ca -0.47 -0.41 -0.41 0.00 -0.87 0.00 0.00 66.00 63.85 2fci h PRO 42 Cb 1.33 0.10 -0.29 0.00 0.13 0.00 0.00 31.00 32.27 2fci h PRO 42 CO 0.65 1.06 -0.81 -1.71 -0.23 0.00 0.00 178.00 176.95 2fci n ASN 43 N -4.26 -1.40 -3.15 1.44 2.85 -1.26 -5.08 115.26 104.40 2fci n ASN 43 Ca -0.09 -2.80 0.05 0.00 -0.11 0.00 0.00 54.58 51.63 2fci n ASN 43 Cb 0.62 0.42 -0.00 0.00 1.24 0.00 0.00 39.78 42.06 2fci n ASN 43 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 2fci s SER 44 N -0.62 -0.50 0.00 1.20 0.15 -1.25 -4.45 113.70 108.23 2fci s SER 44 Ca 0.33 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.07 2fci s SER 44 Cb 0.12 1.33 0.00 0.00 -1.71 0.00 0.00 66.02 65.76 2fci s SER 44 CO -0.16 -0.09 0.00 0.00 1.20 0.00 0.00 173.24 174.19 2fci n TYR 45 N 5.18 0.00 -3.69 3.44 4.19 -0.35 -4.42 117.16 121.51 2fci n TYR 45 Ca 0.07 0.00 -0.03 0.00 3.31 0.00 0.00 57.90 61.25 2fci n TYR 45 Cb 0.57 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 40.39 2fci n TYR 45 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2fci s ALA 46 N -2.43 -1.82 -0.28 2.98 0.00 -1.25 -3.27 121.76 115.68 2fci s ALA 46 Ca 0.00 0.39 -0.03 0.00 0.00 0.00 0.00 51.96 52.32 2fci s ALA 46 Cb 0.00 0.53 0.09 0.00 0.00 0.00 0.00 23.12 23.74 2fci s ALA 46 CO 0.00 -1.00 0.11 0.42 0.00 0.00 0.00 175.76 175.29 2fci s ILE 47 N -3.04 0.29 0.18 0.00 1.01 -1.24 -4.09 121.20 114.32 2fci s ILE 47 Ca 0.12 -0.90 -0.33 0.00 0.00 0.00 0.00 60.65 59.54 2fci s ILE 47 Cb 0.00 -1.17 -0.13 0.00 0.01 0.00 0.00 42.46 41.17 2fci s ILE 47 CO -0.01 -0.63 1.66 -1.20 0.00 0.00 0.00 174.94 174.77 2fci n SER 48 N 5.10 3.58 -3.69 3.58 7.64 0.12 -4.68 113.62 125.27 2fci n SER 48 Ca -0.05 1.07 -0.12 0.00 1.01 0.00 0.00 58.87 60.78 2fci n SER 48 Cb 0.43 -1.51 -0.12 0.00 -1.01 0.00 0.00 64.21 62.00 2fci n SER 48 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2fci s PHE 49 N 1.08 -0.48 -0.21 1.43 5.36 -1.10 -3.27 117.98 120.79 2fci s PHE 49 Ca 0.77 1.05 0.01 0.00 -0.96 0.00 0.00 56.93 57.80 2fci s PHE 49 Cb -0.59 0.11 0.05 0.00 -0.34 0.00 0.00 43.02 42.25 2fci s PHE 49 CO 0.35 -0.33 -0.09 0.50 -1.46 0.00 0.00 175.22 174.20 2fci s ARG 50 N 1.80 1.91 0.36 10.12 3.52 0.44 -3.74 118.95 133.34 2fci s ARG 50 Ca -0.05 -0.89 0.08 0.00 -0.13 0.00 0.00 55.73 54.73 2fci s ARG 50 Cb -0.11 -2.46 -0.03 0.00 -1.56 0.00 0.00 34.95 30.79 2fci s ARG 50 CO -0.10 -0.48 0.25 0.00 -0.81 0.00 0.00 175.30 174.16 2fci s ALA 51 N 1.39 3.75 -0.32 6.12 0.00 0.22 0.20 121.76 133.12 2fci s ALA 51 Ca -0.03 -1.78 -0.27 0.00 0.00 0.00 0.00 51.96 49.88 2fci s ALA 51 Cb -0.17 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 21.95 2fci s ALA 51 CO -0.07 -0.04 2.30 -0.85 0.00 0.00 0.00 175.76 177.10 2fci n GLU 52 N -1.32 1.63 -2.24 0.00 0.28 -1.26 -1.06 120.64 116.67 2fci n GLU 52 Ca -0.01 0.34 -0.11 0.00 -0.16 0.00 0.00 57.16 57.22 2fci n GLU 52 Cb 0.61 -3.31 -0.00 0.00 1.43 0.00 0.00 31.44 30.16 2fci n GLU 52 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2fci n GLY 53 N 5.87 -0.08 3.15 -1.84 0.00 -1.26 -5.00 105.19 106.03 2fci n GLY 53 Ca 0.33 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.96 2fci n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2fci s LYS 54 N -4.59 0.55 -0.17 1.61 2.36 -0.22 -5.13 119.74 114.14 2fci s LYS 54 Ca 0.01 0.99 0.00 0.00 -2.55 0.00 0.00 55.97 54.42 2fci s LYS 54 Cb -0.00 0.49 0.04 0.00 -1.05 0.00 0.00 37.83 37.30 2fci s LYS 54 CO 0.01 -0.60 -0.09 0.42 1.55 0.00 0.00 175.35 176.64 2fci s ILE 55 N 2.84 1.39 -0.28 5.43 -1.09 -1.26 0.68 121.20 128.91 2fci s ILE 55 Ca 0.19 -0.76 -0.24 0.00 -2.23 0.00 0.00 60.65 57.61 2fci s ILE 55 Cb -0.15 -1.47 0.11 0.00 -1.58 0.00 0.00 42.46 39.37 2fci s ILE 55 CO -0.20 0.21 0.93 -1.59 -1.23 0.00 0.00 174.94 173.06 2fci s LYS 56 N 1.52 0.60 0.22 2.79 0.00 -1.25 -5.05 119.74 118.58 2fci s LYS 56 Ca 0.01 0.73 -0.13 0.00 0.00 0.00 0.00 55.97 56.58 2fci s LYS 56 Cb -0.15 0.28 0.00 0.00 0.00 0.00 0.00 37.83 37.96 2fci s LYS 56 CO -0.08 -0.07 0.46 -1.01 0.00 0.00 0.00 175.35 174.64 2fci s HIS 57 N 0.36 0.24 0.00 1.78 0.09 -1.26 -4.66 115.29 111.84 2fci s HIS 57 Ca 0.01 -0.60 0.00 0.00 -0.00 0.00 0.00 55.06 54.48 2fci s HIS 57 Cb -0.05 0.21 0.00 0.00 -0.00 0.00 0.00 32.58 32.74 2fci s HIS 57 CO -0.05 -0.93 0.00 0.00 -0.00 0.00 0.00 174.74 173.76 2fci s ARG 59 N -1.45 3.52 0.02 0.00 1.70 -1.25 -3.58 118.95 117.90 2fci s ARG 59 Ca 0.00 -0.24 0.06 0.00 -0.47 0.00 0.00 55.73 55.07 2fci s ARG 59 Cb 0.00 -3.00 -0.03 0.00 -0.57 0.00 0.00 34.95 31.35 2fci s ARG 59 CO 0.00 0.59 -0.15 0.54 -1.08 0.00 0.00 175.30 175.20 2fci s VAL 60 N -1.48 3.04 -0.38 4.99 0.11 -1.20 -4.20 120.40 121.27 2fci s VAL 60 Ca 0.34 -1.02 -0.23 0.00 -2.93 0.00 0.00 61.98 58.15 2fci s VAL 60 Cb -0.13 -2.28 0.01 0.00 -1.53 0.00 0.00 36.38 32.46 2fci s VAL 60 CO 0.23 0.39 0.76 -1.10 -3.33 0.00 0.00 175.10 172.06 2fci s GLN 61 N -1.33 3.66 -0.28 1.54 -1.52 0.21 -1.21 119.66 120.73 2fci s GLN 61 Ca 0.15 0.17 -0.12 0.00 -1.95 0.00 0.00 55.36 53.61 2fci s GLN 61 Cb -0.11 -3.84 -0.04 0.00 -0.22 0.00 0.00 33.01 28.80 2fci s GLN 61 CO 0.05 -0.90 0.24 1.14 -0.25 0.00 0.00 175.29 175.57 2fci s GLN 62 N 3.10 3.95 -0.08 2.91 -2.07 -1.26 0.23 119.66 126.43 2fci s GLN 62 Ca 0.30 -0.23 -0.01 0.00 -1.82 0.00 0.00 55.36 53.61 2fci s GLN 62 Cb -0.13 -3.66 -0.03 0.00 -1.09 0.00 0.00 33.01 28.09 2fci s GLN 62 CO 0.18 -0.22 -0.04 -2.00 -1.32 0.00 0.00 175.29 171.89 2fci s GLU 63 N 1.85 2.93 -1.07 9.60 -6.30 -0.98 -4.90 118.70 119.82 2fci s GLU 63 Ca 0.09 -0.50 -0.24 0.00 -2.50 0.00 0.00 54.97 51.82 2fci s GLU 63 Cb -0.16 -2.69 -0.10 0.00 0.00 0.00 0.00 34.13 31.18 2fci s GLU 63 CO 0.11 0.63 1.99 0.20 0.02 0.00 0.00 175.26 178.20 2fci s GLY 64 N -0.70 -0.05 0.00 -1.50 0.00 -1.26 -0.66 107.32 103.15 2fci s GLY 64 Ca 0.11 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.01 2fci s GLY 64 CO 0.02 3.67 0.00 -0.18 0.00 0.00 0.00 173.10 176.61 2fci n GLN 65 N 8.45 0.00 -3.17 2.90 7.27 -1.26 -5.08 117.38 126.48 2fci n GLN 65 Ca 0.43 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.53 2fci n GLN 65 Cb 0.46 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.10 2fci n GLN 65 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2fci s THR 66 N 0.00 -0.95 0.23 1.69 2.01 0.17 -5.02 115.64 113.77 2fci s THR 66 Ca 0.00 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.85 2fci s THR 66 Cb 0.00 -0.99 -0.08 0.00 0.01 0.00 0.00 72.50 71.45 2fci s THR 66 CO 0.00 -0.03 0.61 -0.69 -0.69 0.00 0.00 174.62 173.82 2fci s VAL 67 N 2.81 4.83 -0.24 3.82 1.01 -1.25 -2.31 120.40 129.07 2fci s VAL 67 Ca 0.15 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.74 2fci s VAL 67 Cb -0.13 -3.66 0.09 0.00 0.00 0.00 0.00 36.38 32.69 2fci s VAL 67 CO -0.23 -0.01 0.55 -0.32 0.00 0.00 0.00 175.10 175.08 2fci s MET 68 N -2.62 0.50 0.08 2.72 0.00 0.61 -1.27 119.30 119.32 2fci s MET 68 Ca 0.47 1.14 -0.01 0.00 0.00 0.00 0.00 55.69 57.29 2fci s MET 68 Cb -0.12 0.35 0.02 0.00 0.00 0.00 0.00 34.83 35.08 2fci s MET 68 CO 0.20 -0.19 0.10 1.47 0.00 0.00 0.00 175.02 176.60 2fci n LEU 69 N 4.89 0.00 -4.48 4.11 -0.00 -1.16 0.65 117.00 121.01 2fci n LEU 69 Ca -0.16 -0.13 -0.43 0.00 -0.00 0.00 0.00 56.01 55.29 2fci n LEU 69 Cb 0.53 -0.08 -0.02 0.00 -0.00 0.00 0.00 43.42 43.85 2fci n LEU 69 CO 0.00 -0.57 1.16 -0.83 -0.00 0.00 0.00 177.39 177.15 2fci s GLY 70 N -3.15 1.87 0.00 1.47 0.00 -1.26 -3.79 107.32 102.45 2fci s GLY 70 Ca 0.06 -2.77 0.00 0.00 0.00 0.00 0.00 44.72 42.01 2fci s GLY 70 CO 0.04 2.16 0.00 1.16 0.00 0.00 0.00 173.10 176.46 2fci n ASN 71 N 6.89 0.00 -3.56 1.64 0.23 -1.26 -5.15 115.26 114.05 2fci n ASN 71 Ca 0.28 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 54.26 2fci n ASN 71 Cb 0.48 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.17 2fci n ASN 71 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2fci s SER 72 N 0.00 -0.30 0.42 0.53 0.15 -1.25 -5.17 113.70 108.09 2fci s SER 72 Ca 0.00 -0.08 -0.11 0.00 0.70 0.00 0.00 55.95 56.46 2fci s SER 72 Cb 0.00 0.38 -0.06 0.00 -1.71 0.00 0.00 66.02 64.62 2fci s SER 72 CO 0.00 -0.63 0.79 -1.61 1.20 0.00 0.00 173.24 172.99 2fci s GLU 73 N -3.07 3.78 0.10 5.44 2.02 -1.26 -3.00 118.70 122.71 2fci s GLU 73 Ca 0.07 0.50 -0.08 0.00 0.02 0.00 0.00 54.97 55.49 2fci s GLU 73 Cb -0.01 -2.36 -0.01 0.00 0.10 0.00 0.00 34.13 31.85 2fci s GLU 73 CO -0.06 -0.07 0.18 -0.06 0.02 0.00 0.00 175.26 175.26 2fci s PHE 74 N -2.42 0.25 -0.65 1.61 0.40 -0.40 -4.94 117.98 111.84 2fci s PHE 74 Ca 0.52 -0.68 -0.27 0.00 -0.60 0.00 0.00 56.93 55.90 2fci s PHE 74 Cb -0.10 -0.11 0.03 0.00 0.51 0.00 0.00 43.02 43.35 2fci s PHE 74 CO 0.32 -0.55 1.18 0.34 0.70 0.00 0.00 175.22 177.21 2fci s ASP 75 N -2.89 6.29 0.73 1.36 -1.08 -1.26 -3.82 116.67 116.01 2fci s ASP 75 Ca 0.08 -0.27 0.00 0.00 -0.52 0.00 0.00 52.55 51.84 2fci s ASP 75 Cb 0.05 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 2fci s ASP 75 CO -0.09 -1.59 0.00 -0.24 0.52 0.00 0.00 175.17 173.77 2fci n SER 76 N 8.63 -3.68 0.03 -0.34 2.88 -1.26 -1.63 113.62 118.25 2fci n SER 76 Ca 0.04 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.53 2fci n SER 76 Cb 0.48 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.84 2fci n SER 76 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2fci h LEU 77 N 0.00 0.00 -2.33 2.46 3.38 -1.92 -3.30 115.31 113.60 2fci h LEU 77 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2fci h LEU 77 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2fci h LEU 77 CO 0.00 0.87 0.15 1.62 0.09 0.00 0.00 178.44 181.18 2fci h VAL 78 N 0.00 0.41 0.50 1.22 3.04 -1.75 -1.26 116.25 118.42 2fci h VAL 78 Ca -0.15 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.51 2fci h VAL 78 Cb 1.80 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.96 2fci h VAL 78 CO 0.09 0.00 -0.24 -0.78 -1.01 0.00 0.00 177.57 175.63 2fci h ASP 79 N 0.00 -0.57 -0.78 3.17 3.58 -1.38 0.70 116.42 121.14 2fci h ASP 79 Ca 0.06 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 2fci h ASP 79 Cb 0.36 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.53 2fci h ASP 79 CO -0.00 -0.19 0.32 0.17 -2.88 0.00 0.00 179.24 176.67 2fci h LEU 80 N -1.12 1.07 -1.17 2.28 8.10 -1.73 0.37 115.31 123.12 2fci h LEU 80 Ca -0.07 -0.17 -0.01 0.00 0.11 0.00 0.00 57.88 57.74 2fci h LEU 80 Cb 0.52 -0.28 -0.04 0.00 -0.44 0.00 0.00 40.66 40.42 2fci h LEU 80 CO 0.11 0.95 0.41 0.40 -4.11 0.00 0.00 178.44 176.21 2fci h ILE 81 N 1.13 1.21 0.02 0.15 1.08 -1.29 -1.37 117.51 118.45 2fci h ILE 81 Ca 0.26 -0.49 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 2fci h ILE 81 Cb 0.20 0.21 0.00 0.00 -3.07 0.00 0.00 36.82 34.17 2fci h ILE 81 CO -0.02 0.23 -0.01 0.28 -0.69 0.00 0.00 178.15 177.93 2fci h SER 82 N 1.00 -0.03 -0.77 1.72 0.02 0.21 0.40 113.55 116.11 2fci h SER 82 Ca 0.26 -0.32 0.12 0.00 -0.84 0.00 0.00 61.79 61.01 2fci h SER 82 Cb -0.01 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.45 2fci h SER 82 CO -0.05 0.31 0.37 1.88 -1.14 0.00 0.00 176.83 178.20 2fci h TYR 83 N -0.37 0.65 -0.19 3.45 0.05 0.01 0.57 116.97 121.14 2fci h TYR 83 Ca -0.00 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 2fci h TYR 83 Cb 0.35 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.90 2fci h TYR 83 CO 0.04 0.17 -0.26 -0.92 -1.05 0.00 0.00 178.16 176.14 2fci h TYR 84 N 0.57 0.39 -0.01 4.88 5.03 -1.08 -0.10 116.97 126.66 2fci h TYR 84 Ca 0.40 -0.08 -0.02 0.00 2.58 0.00 0.00 58.73 61.62 2fci h TYR 84 Cb 0.52 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.71 2fci h TYR 84 CO -0.12 0.59 -0.05 1.49 -1.32 0.00 0.00 178.16 178.74 2fci h GLU 85 N 0.31 0.06 -0.58 1.82 4.81 0.17 -2.87 114.58 118.30 2fci h GLU 85 Ca 0.05 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2fci h GLU 85 Cb 0.63 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.99 2fci h GLU 85 CO 0.05 0.71 0.25 -0.22 -0.73 0.00 0.00 179.01 179.07 2fci h LYS 86 N -0.57 0.82 -3.01 1.92 3.64 -0.01 -3.09 116.57 116.27 2fci h LYS 86 Ca -0.00 -0.11 -0.70 0.00 -1.27 0.00 0.00 60.65 58.57 2fci h LYS 86 Cb 0.72 -0.15 -0.36 0.00 -0.41 0.00 0.00 32.23 32.02 2fci h LYS 86 CO 0.01 0.66 -0.08 0.72 -2.27 0.00 0.00 179.45 178.49 2fci n HIS 87 N -4.35 3.75 0.00 1.91 8.25 -0.05 -4.97 115.22 119.77 2fci n HIS 87 Ca 0.05 -3.90 0.00 0.00 -0.26 0.00 0.00 57.72 53.61 2fci n HIS 87 Cb 0.14 -1.01 0.00 0.00 1.12 0.00 0.00 29.99 30.24 2fci n HIS 87 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2fci n PRO 88 N 1.82 0.00 0.00 -0.41 -0.04 -1.09 -4.59 135.00 130.70 2fci n PRO 88 Ca 0.24 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2fci n PRO 88 Cb 0.37 -0.35 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 2fci n PRO 88 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2fci n LEU 89 N -0.04 0.00 -3.47 1.53 7.99 -1.26 -4.76 117.00 116.99 2fci n LEU 89 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 56.01 55.77 2fci n LEU 89 Cb 0.00 0.00 0.05 0.00 -0.11 0.00 0.00 43.42 43.36 2fci n LEU 89 CO 0.00 -0.43 -0.01 -1.22 -1.51 0.00 0.00 177.39 174.22 2fci n TYR 90 N -0.21 -2.20 0.00 -1.77 4.01 -1.26 -2.40 117.16 113.32 2fci n TYR 90 Ca 0.00 0.66 0.00 0.00 -0.16 0.00 0.00 57.90 58.40 2fci n TYR 90 Cb 0.00 -3.73 0.00 0.00 -0.31 0.00 0.00 39.34 35.30 2fci n TYR 90 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2fci n ARG 91 N -3.61 0.00 -0.14 -0.72 5.12 -1.26 -0.94 116.66 115.11 2fci n ARG 91 Ca -0.08 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 55.91 2fci n ARG 91 Cb 0.60 0.00 0.10 0.00 -1.16 0.00 0.00 32.46 31.99 2fci n ARG 91 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2fci n LYS 92 N 0.00 1.20 -1.20 5.56 2.85 -1.26 -4.91 118.16 120.39 2fci n LYS 92 Ca 0.00 -2.12 -0.38 0.00 -1.05 0.00 0.00 58.31 54.76 2fci n LYS 92 Cb 0.00 -1.24 -0.03 0.00 -0.65 0.00 0.00 35.03 33.11 2fci n LYS 92 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 177.40 177.23 2fci n MET 93 N -1.04 2.10 -0.10 -1.58 1.56 -0.11 -4.41 117.12 113.54 2fci n MET 93 Ca 0.11 -1.96 0.06 0.00 -0.27 0.00 0.00 57.70 55.64 2fci n MET 93 Cb 0.60 -2.89 0.11 0.00 2.15 0.00 0.00 33.22 33.20 2fci n MET 93 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 2fci n LYS 94 N 5.94 1.83 -1.05 2.12 4.81 -1.26 -4.03 118.16 126.52 2fci n LYS 94 Ca 0.51 -1.69 0.13 0.00 -0.87 0.00 0.00 58.31 56.39 2fci n LYS 94 Cb 0.33 -1.27 -0.06 0.00 0.02 0.00 0.00 35.03 34.05 2fci n LYS 94 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2fci n LEU 95 N 0.66 -0.70 -3.23 3.14 4.77 -1.26 -4.39 117.00 115.99 2fci n LEU 95 Ca 0.10 1.61 -0.18 0.00 -0.03 0.00 0.00 56.01 57.51 2fci n LEU 95 Cb 0.38 -2.83 0.08 0.00 -2.33 0.00 0.00 43.42 38.72 2fci n LEU 95 CO 0.08 -1.88 0.15 -1.14 -1.33 0.00 0.00 177.39 173.27 2fci n ARG 96 N -3.77 -6.47 -4.11 3.23 0.63 -1.26 -5.02 116.66 99.89 2fci n ARG 96 Ca -0.05 0.76 -0.10 0.00 -0.92 0.00 0.00 57.85 57.54 2fci n ARG 96 Cb 0.49 -5.55 -0.10 0.00 0.45 0.00 0.00 32.46 27.76 2fci n ARG 96 CO 0.00 0.00 0.00 -0.47 -2.51 0.00 0.00 177.63 174.65 2fci s TYR 97 N -3.31 0.72 0.00 -0.14 5.04 -1.26 -5.12 117.35 113.28 2fci s TYR 97 Ca 0.21 -0.81 0.00 0.00 -2.44 0.00 0.00 57.07 54.03 2fci s TYR 97 Cb -0.09 -0.44 0.00 0.00 0.35 0.00 0.00 41.96 41.78 2fci s TYR 97 CO 0.66 -0.18 0.00 -0.35 -1.34 0.00 0.00 175.55 174.34 2fci n PRO 98 N 0.48 1.48 -3.94 4.97 -0.04 -1.26 -4.80 135.00 131.90 2fci n PRO 98 Ca -0.16 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.99 2fci n PRO 98 Cb 0.59 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.91 2fci n PRO 98 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2fci s ILE 99 N 0.82 2.66 -0.15 0.52 -0.00 -1.26 -4.85 121.20 118.95 2fci s ILE 99 Ca 0.00 -2.99 -0.11 0.00 -0.00 0.00 0.00 60.65 57.56 2fci s ILE 99 Cb 0.00 -2.86 -0.05 0.00 -0.00 0.00 0.00 42.46 39.56 2fci s ILE 99 CO 0.00 -0.75 0.20 0.20 -0.00 0.00 0.00 174.94 174.59 2fci s ASN 100 N 0.20 6.38 -0.37 4.36 -0.87 -1.26 -4.76 114.94 118.62 2fci s ASN 100 Ca 0.15 0.45 -0.28 0.00 -1.57 0.00 0.00 52.86 51.61 2fci s ASN 100 Cb -0.23 -2.12 -0.03 0.00 -0.02 0.00 0.00 41.25 38.85 2fci s ASN 100 CO -0.03 0.24 1.90 -0.70 -2.57 0.00 0.00 177.10 175.94 2fci s GLU 101 N -0.17 3.12 0.51 -0.60 -6.30 -1.26 -3.16 118.70 110.83 2fci s GLU 101 Ca 0.14 1.37 0.26 0.00 -2.50 0.00 0.00 54.97 54.24 2fci s GLU 101 Cb -0.12 -4.27 1.36 0.00 0.00 0.00 0.00 34.13 31.09 2fci s GLU 101 CO 0.03 -2.12 1.92 0.93 0.02 0.00 0.00 175.26 176.04 2fci h GLU 102 N 13.90 0.10 0.00 4.30 3.07 -1.88 0.25 114.58 134.32 2fci h GLU 102 Ca -0.33 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 2fci h GLU 102 Cb 1.18 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2fci h GLU 102 CO 1.06 0.07 0.00 0.09 -1.40 0.00 0.00 179.01 178.83 2fci n ASN 103 N -4.36 0.57 -0.06 1.42 3.02 -1.26 -3.76 115.26 110.83 2fci n ASN 103 Ca 0.16 0.62 -0.10 0.00 -0.03 0.00 0.00 54.58 55.23 2fci n ASN 103 Cb 0.78 -0.75 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 2fci n ASN 103 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2fci n SER 104 N -2.11 2.44 0.00 6.41 3.41 0.70 -5.32 113.62 119.16 2fci n SER 104 Ca 0.03 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 2fci n SER 104 Cb 0.26 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 2fci n SER 104 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68