#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekj h SER 2 N 0.00 -0.96 -2.84 1.61 4.64 -2.13 -3.41 113.55 110.46 2ekj h SER 2 Ca 0.00 0.05 -0.53 0.00 -0.47 0.00 0.00 61.79 60.85 2ekj h SER 2 Cb 0.00 0.28 0.04 0.00 -0.31 0.00 0.00 62.40 62.41 2ekj h SER 2 CO 0.00 -0.60 0.87 -0.44 -0.87 0.00 0.00 176.83 175.79 2ekj s SER 3 N -3.66 6.61 -0.28 4.97 0.01 -1.26 -4.85 113.70 115.24 2ekj s SER 3 Ca -0.15 2.58 0.00 0.00 1.31 0.00 0.00 55.95 59.69 2ekj s SER 3 Cb 0.02 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.67 2ekj s SER 3 CO 0.46 -0.81 0.98 0.61 0.41 0.00 0.00 173.24 174.89 2ekj n GLY 4 N 3.74 -1.02 3.55 3.44 0.00 -1.26 -5.10 105.19 108.54 2ekj n GLY 4 Ca 0.14 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2ekj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ekj s SER 5 N -0.04 4.81 0.18 1.61 0.15 -1.26 -4.94 113.70 114.21 2ekj s SER 5 Ca 0.01 0.68 -0.27 0.00 0.70 0.00 0.00 55.95 57.07 2ekj s SER 5 Cb 0.01 -2.52 -0.08 0.00 -1.71 0.00 0.00 66.02 61.72 2ekj s SER 5 CO -0.00 -2.68 0.83 -0.44 1.20 0.00 0.00 173.24 172.15 2ekj s SER 6 N 10.25 7.47 0.00 5.45 0.01 -1.26 -4.67 113.70 130.94 2ekj s SER 6 Ca 0.83 1.74 0.00 0.00 1.31 0.00 0.00 55.95 59.83 2ekj s SER 6 Cb -0.15 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2ekj s SER 6 CO 0.23 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.67 2ekj n GLY 7 N 1.59 0.25 2.83 3.44 0.00 -1.26 -5.12 105.19 106.91 2ekj n GLY 7 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 2ekj n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ekj s ARG 8 N 0.00 1.39 -0.34 1.61 0.52 -1.26 -4.81 118.95 116.06 2ekj s ARG 8 Ca 0.00 -1.97 -0.12 0.00 -0.52 0.00 0.00 55.73 53.11 2ekj s ARG 8 Cb 0.00 -2.68 -0.01 0.00 0.52 0.00 0.00 34.95 32.79 2ekj s ARG 8 CO 0.00 -1.08 0.22 0.45 0.02 0.00 0.00 175.30 174.92 2ekj s SER 9 N 0.51 5.91 0.75 0.23 0.15 -1.26 -4.82 113.70 115.18 2ekj s SER 9 Ca 0.15 -0.56 -0.11 0.00 0.70 0.00 0.00 55.95 56.13 2ekj s SER 9 Cb -0.23 -2.10 0.05 0.00 -1.71 0.00 0.00 66.02 62.03 2ekj s SER 9 CO -0.06 -0.27 1.10 -2.16 1.20 0.00 0.00 173.24 173.05 2ekj s PRO 10 N 1.68 2.35 0.04 5.44 0.04 -1.26 -4.61 135.00 138.67 2ekj s PRO 10 Ca 0.05 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 62.00 2ekj s PRO 10 Cb -0.18 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.39 2ekj s PRO 10 CO 0.09 -1.58 1.41 -1.25 0.04 0.00 0.00 177.00 175.72 2ekj s PRO 11 N -4.74 4.29 0.51 0.56 0.04 -1.26 -4.83 135.00 129.57 2ekj s PRO 11 Ca 0.62 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.72 2ekj s PRO 11 Cb -0.18 -3.48 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 2ekj s PRO 11 CO 0.53 -0.54 0.12 -1.12 0.04 0.00 0.00 177.00 176.03 2ekj s SER 12 N 1.68 4.27 -1.36 6.66 0.01 -1.24 -4.75 113.70 118.97 2ekj s SER 12 Ca 0.65 -1.48 -0.05 0.00 1.31 0.00 0.00 55.95 56.37 2ekj s SER 12 Cb -0.34 0.36 0.01 0.00 0.21 0.00 0.00 66.02 66.26 2ekj s SER 12 CO 0.28 -0.87 0.67 0.59 0.41 0.00 0.00 173.24 174.32 2ekj n ASN 13 N -1.38 -5.75 -4.72 2.44 3.02 -1.26 -1.50 115.26 106.11 2ekj n ASN 13 Ca -0.12 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 53.70 2ekj n ASN 13 Cb 0.66 -4.53 -0.03 0.00 -0.61 0.00 0.00 39.78 35.27 2ekj n ASN 13 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2ekj s LEU 14 N -6.19 4.37 -0.06 3.41 1.43 -1.26 -4.52 118.68 115.85 2ekj s LEU 14 Ca 0.33 2.81 -0.01 0.00 -1.03 0.00 0.00 54.13 56.23 2ekj s LEU 14 Cb -0.15 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.50 2ekj s LEU 14 CO 0.41 -0.93 0.01 0.00 0.23 0.00 0.00 176.35 176.07 2ekj s ALA 15 N 1.13 0.61 -0.30 4.21 0.00 -1.00 -5.02 121.76 121.39 2ekj s ALA 15 Ca 0.73 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.53 2ekj s ALA 15 Cb -0.48 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.92 2ekj s ALA 15 CO 0.32 -0.43 0.17 -0.51 0.00 0.00 0.00 175.76 175.32 2ekj s LEU 16 N 1.91 4.04 -0.17 0.00 1.02 -1.26 -2.00 118.68 122.22 2ekj s LEU 16 Ca 0.04 -0.27 -0.02 0.00 0.02 0.00 0.00 54.13 53.90 2ekj s LEU 16 Cb -0.12 -2.06 -0.01 0.00 0.02 0.00 0.00 46.19 44.02 2ekj s LEU 16 CO -0.04 -0.12 -0.10 0.00 0.02 0.00 0.00 176.35 176.10 2ekj s ALA 17 N 1.69 2.66 -0.25 4.21 0.00 0.13 -4.89 121.76 125.31 2ekj s ALA 17 Ca 0.06 -1.05 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 2ekj s ALA 17 Cb -0.16 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.50 2ekj s ALA 17 CO 0.08 -0.11 0.28 0.45 0.00 0.00 0.00 175.76 176.46 2ekj s SER 18 N 0.94 6.20 -0.03 0.00 0.15 -1.26 0.39 113.70 120.09 2ekj s SER 18 Ca -0.02 0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.89 2ekj s SER 18 Cb -0.15 -2.17 -0.06 0.00 -1.71 0.00 0.00 66.02 61.93 2ekj s SER 18 CO -0.01 -0.07 0.05 -1.84 1.20 0.00 0.00 173.24 172.57 2ekj n GLU 19 N 4.85 2.14 -3.76 5.44 0.28 -1.26 -4.79 120.64 123.54 2ekj n GLU 19 Ca -0.11 -0.02 -0.13 0.00 -0.16 0.00 0.00 57.16 56.74 2ekj n GLU 19 Cb 0.51 -1.12 -0.09 0.00 1.43 0.00 0.00 31.44 32.17 2ekj n GLU 19 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2ekj s THR 20 N -2.20 0.04 -2.00 3.84 -1.32 -1.21 -4.95 115.64 107.84 2ekj s THR 20 Ca -0.02 -0.30 0.09 0.00 -1.21 0.00 0.00 61.69 60.25 2ekj s THR 20 Cb 0.02 -0.56 0.27 0.00 -1.51 0.00 0.00 72.50 70.72 2ekj s THR 20 CO 0.19 -0.17 1.00 -0.81 -2.21 0.00 0.00 174.62 172.63 2ekj n PRO 21 N 1.87 0.49 -0.02 7.08 -0.04 -1.26 -2.03 135.00 141.09 2ekj n PRO 21 Ca -0.18 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.31 2ekj n PRO 21 Cb 0.57 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.63 2ekj n PRO 21 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ekj n ASP 22 N -0.80 2.12 -3.71 3.54 8.00 -1.25 -3.02 116.55 121.44 2ekj n ASP 22 Ca 0.07 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.46 2ekj n ASP 22 Cb 0.03 1.38 -0.06 0.00 -0.02 0.00 0.00 41.12 42.45 2ekj n ASP 22 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2ekj s SER 23 N -3.70 -0.17 -0.03 -2.24 1.04 -0.86 0.75 113.70 108.48 2ekj s SER 23 Ca -0.05 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.18 2ekj s SER 23 Cb 0.07 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2ekj s SER 23 CO 0.51 -0.71 -0.10 -0.22 0.98 0.00 0.00 173.24 173.70 2ekj s LEU 24 N -2.35 1.77 0.18 2.42 2.96 -1.12 -3.33 118.68 119.21 2ekj s LEU 24 Ca -0.02 -0.22 -0.21 0.00 -0.22 0.00 0.00 54.13 53.46 2ekj s LEU 24 Cb 0.01 -0.63 -0.08 0.00 0.50 0.00 0.00 46.19 45.99 2ekj s LEU 24 CO -0.06 0.07 0.71 -1.58 -1.32 0.00 0.00 176.35 174.17 2ekj s GLN 25 N 0.25 4.33 -0.05 1.98 2.00 0.16 -2.11 119.66 126.23 2ekj s GLN 25 Ca -0.05 0.93 -0.04 0.00 -2.00 0.00 0.00 55.36 54.21 2ekj s GLN 25 Cb -0.10 -3.05 0.02 0.00 0.80 0.00 0.00 33.01 30.68 2ekj s GLN 25 CO 0.01 0.49 0.13 0.54 -0.50 0.00 0.00 175.29 175.96 2ekj s VAL 26 N -1.34 -0.02 0.27 1.34 0.11 -1.16 0.17 120.40 119.77 2ekj s VAL 26 Ca 0.38 0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.53 2ekj s VAL 26 Cb -0.19 -0.21 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 2ekj s VAL 26 CO 0.22 0.03 0.09 -0.94 -3.33 0.00 0.00 175.10 171.18 2ekj s SER 27 N 0.57 1.31 -0.00 3.54 1.04 -0.85 -2.26 113.70 117.05 2ekj s SER 27 Ca -0.04 -1.39 -0.29 0.00 0.48 0.00 0.00 55.95 54.71 2ekj s SER 27 Cb -0.06 0.14 0.10 0.00 0.10 0.00 0.00 66.02 66.30 2ekj s SER 27 CO -0.03 -0.72 0.97 -1.66 0.98 0.00 0.00 173.24 172.78 2ekj s TRP 28 N -3.71 -0.26 -0.31 5.02 -2.14 -0.96 -2.37 118.94 114.21 2ekj s TRP 28 Ca 0.38 0.10 -0.22 0.00 2.66 0.00 0.00 56.10 59.03 2ekj s TRP 28 Cb 0.08 0.55 -0.00 0.00 -3.10 0.00 0.00 33.47 31.00 2ekj s TRP 28 CO 0.14 -0.53 0.70 0.99 -2.66 0.00 0.00 176.95 175.58 2ekj s THR 29 N -3.01 4.87 0.25 0.66 2.01 -0.56 -4.83 115.64 115.02 2ekj s THR 29 Ca 0.07 0.97 -0.30 0.00 0.31 0.00 0.00 61.69 62.75 2ekj s THR 29 Cb -0.01 -4.07 -0.09 0.00 0.01 0.00 0.00 72.50 68.34 2ekj s THR 29 CO -0.06 -0.20 1.27 -2.16 -0.69 0.00 0.00 174.62 172.78 2ekj s PRO 30 N 2.76 4.42 0.00 4.92 0.04 -1.26 -3.73 135.00 142.15 2ekj s PRO 30 Ca 0.28 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2ekj s PRO 30 Cb -0.15 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.23 2ekj s PRO 30 CO 0.12 -0.16 0.00 -0.35 0.04 0.00 0.00 177.00 176.65 2ekj n PRO 31 N 1.91 -0.77 -0.13 0.56 -0.04 -1.26 -5.02 135.00 130.25 2ekj n PRO 31 Ca 0.03 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.31 2ekj n PRO 31 Cb 0.43 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.77 2ekj n PRO 31 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2ekj n LEU 32 N 0.00 2.94 -4.46 1.53 7.94 -1.26 -4.99 117.00 118.69 2ekj n LEU 32 Ca 0.00 -0.13 -0.35 0.00 -1.11 0.00 0.00 56.01 54.42 2ekj n LEU 32 Cb 0.00 -0.90 0.08 0.00 0.53 0.00 0.00 43.42 43.13 2ekj n LEU 32 CO 0.00 0.93 0.06 0.61 -1.11 0.00 0.00 177.39 177.88 2ekj n GLY 33 N 2.25 -1.57 3.55 -3.96 0.00 -1.26 -4.81 105.19 99.38 2ekj n GLY 33 Ca -0.45 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.70 2ekj n GLY 33 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ekj s ARG 34 N -3.05 2.71 -0.16 1.61 3.00 -1.26 -4.97 118.95 116.83 2ekj s ARG 34 Ca 0.64 0.43 -0.10 0.00 -1.00 0.00 0.00 55.73 55.70 2ekj s ARG 34 Cb -0.31 -4.40 -0.05 0.00 0.00 0.00 0.00 34.95 30.19 2ekj s ARG 34 CO 0.60 -2.68 0.17 0.54 0.00 0.00 0.00 175.30 173.93 2ekj s VAL 35 N 8.64 5.40 -0.10 7.11 0.11 -1.26 -4.26 120.40 136.04 2ekj s VAL 35 Ca 0.63 0.28 -0.12 0.00 -2.93 0.00 0.00 61.98 59.83 2ekj s VAL 35 Cb -0.12 -3.49 -0.10 0.00 -1.53 0.00 0.00 36.38 31.15 2ekj s VAL 35 CO 0.19 0.48 0.39 -0.07 -3.33 0.00 0.00 175.10 172.76 2ekj h LEU 36 N 6.15 -0.06 -8.53 2.54 3.38 -1.07 -3.47 115.31 114.26 2ekj h LEU 36 Ca -0.45 -0.32 -0.26 0.00 0.09 0.00 0.00 57.88 56.94 2ekj h LEU 36 Cb 1.18 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.85 2ekj h LEU 36 CO 0.71 0.58 -0.27 -1.38 0.09 0.00 0.00 178.44 178.17 2ekj s HIS 37 N -2.14 1.04 -0.44 1.13 -3.43 -1.25 -3.88 115.29 106.31 2ekj s HIS 37 Ca -0.08 -1.25 0.04 0.00 -0.80 0.00 0.00 55.06 52.97 2ekj s HIS 37 Cb -0.01 -0.17 0.12 0.00 -1.43 0.00 0.00 32.58 31.09 2ekj s HIS 37 CO 0.28 -1.02 0.17 0.71 -2.00 0.00 0.00 174.74 172.88 2ekj s TYR 38 N -3.40 3.31 -0.70 0.38 2.02 -1.23 -1.90 117.35 115.84 2ekj s TYR 38 Ca 0.31 -3.04 -0.26 0.00 -0.37 0.00 0.00 57.07 53.72 2ekj s TYR 38 Cb 0.01 -2.79 -0.09 0.00 -0.40 0.00 0.00 41.96 38.69 2ekj s TYR 38 CO 0.18 -0.83 2.28 -0.46 -1.57 0.00 0.00 175.55 175.16 2ekj s TRP 39 N 0.25 1.27 0.07 2.71 -0.11 -0.84 -3.89 118.94 118.40 2ekj s TRP 39 Ca 0.14 1.54 -0.19 0.00 1.22 0.00 0.00 56.10 58.81 2ekj s TRP 39 Cb -0.23 -3.64 -0.07 0.00 -1.50 0.00 0.00 33.47 28.04 2ekj s TRP 39 CO -0.04 -1.97 0.56 -1.17 -4.62 0.00 0.00 176.95 169.72 2ekj s LEU 40 N 12.73 4.52 -0.21 5.86 0.20 -1.12 -2.88 118.68 137.78 2ekj s LEU 40 Ca 0.88 1.25 -0.04 0.00 0.69 0.00 0.00 54.13 56.90 2ekj s LEU 40 Cb -0.13 -2.89 0.07 0.00 -0.43 0.00 0.00 46.19 42.81 2ekj s LEU 40 CO 0.14 0.28 0.10 0.42 -0.29 0.00 0.00 176.35 176.99 2ekj s THR 41 N -1.12 0.02 0.04 3.68 -4.23 0.16 -1.62 115.64 112.57 2ekj s THR 41 Ca 0.29 -0.43 0.02 0.00 -1.18 0.00 0.00 61.69 60.39 2ekj s THR 41 Cb -0.19 -0.78 -0.04 0.00 1.34 0.00 0.00 72.50 72.82 2ekj s THR 41 CO 0.19 -0.42 0.05 -0.72 -0.54 0.00 0.00 174.62 173.18 2ekj s TYR 42 N 2.08 3.17 -0.05 3.99 -0.85 -1.20 -0.17 117.35 124.33 2ekj s TYR 42 Ca 0.04 0.11 -0.31 0.00 -0.52 0.00 0.00 57.07 56.39 2ekj s TYR 42 Cb -0.16 -1.66 0.11 0.00 0.38 0.00 0.00 41.96 40.63 2ekj s TYR 42 CO -0.18 0.51 1.08 0.00 -1.52 0.00 0.00 175.55 175.44 2ekj s ALA 43 N -1.26 -1.95 -0.62 9.51 0.00 -1.09 -1.82 121.76 124.53 2ekj s ALA 43 Ca 0.25 1.02 -0.26 0.00 0.00 0.00 0.00 51.96 52.97 2ekj s ALA 43 Cb -0.12 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.24 2ekj s ALA 43 CO 0.17 -0.77 1.86 -1.25 0.00 0.00 0.00 175.76 175.76 2ekj s PRO 44 N -2.79 2.62 0.29 0.00 0.04 -1.26 0.11 135.00 134.02 2ekj s PRO 44 Ca 0.09 0.60 0.15 0.00 0.04 0.00 0.00 61.00 61.87 2ekj s PRO 44 Cb -0.00 -4.40 1.03 0.00 0.04 0.00 0.00 34.50 31.17 2ekj s PRO 44 CO -0.05 -2.74 1.29 0.00 0.04 0.00 0.00 177.00 175.54 2ekj n ALA 45 N 12.77 0.77 -0.32 8.56 0.00 -1.26 -0.31 120.51 140.71 2ekj n ALA 45 Ca 0.21 0.84 -0.12 0.00 0.00 0.00 0.00 53.44 54.37 2ekj n ALA 45 Cb 0.52 -0.80 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 2ekj n ALA 45 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2ekj h SER 46 N 0.00 -2.05 -0.22 0.00 0.02 -1.93 -3.47 113.55 105.91 2ekj h SER 46 Ca 0.66 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.91 2ekj h SER 46 Cb 1.71 0.89 0.00 0.00 0.14 0.00 0.00 62.40 65.13 2ekj h SER 46 CO -0.65 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 175.36 2ekj n GLY 47 N -1.30 0.69 0.15 -3.77 0.00 0.57 -5.03 105.19 96.50 2ekj n GLY 47 Ca 0.00 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.72 2ekj n GLY 47 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ekj n LEU 48 N -0.11 2.20 0.00 0.99 -0.00 -1.26 -5.07 117.00 113.75 2ekj n LEU 48 Ca 0.00 -2.99 0.00 0.00 -0.00 0.00 0.00 56.01 53.02 2ekj n LEU 48 Cb 0.04 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.06 2ekj n LEU 48 CO 0.00 0.72 0.14 0.61 -0.00 0.00 0.00 177.39 178.86 2ekj n GLY 49 N -1.30 0.65 3.62 1.47 0.00 -1.26 -5.17 105.19 103.19 2ekj n GLY 49 Ca 0.15 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 2ekj n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ekj s PRO 50 N -2.00 -0.62 0.23 1.61 0.04 -1.26 -4.99 135.00 128.01 2ekj s PRO 50 Ca 0.04 0.15 0.11 0.00 0.04 0.00 0.00 61.00 61.35 2ekj s PRO 50 Cb -0.00 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.85 2ekj s PRO 50 CO -0.00 -3.35 -0.20 -1.83 0.04 0.00 0.00 177.00 171.65 2ekj s GLU 51 N -5.23 1.66 0.52 4.56 1.03 -1.26 -4.73 118.70 115.26 2ekj s GLU 51 Ca 0.69 -1.61 0.06 0.00 0.03 0.00 0.00 54.97 54.13 2ekj s GLU 51 Cb -0.13 -1.85 0.03 0.00 -0.80 0.00 0.00 34.13 31.38 2ekj s GLU 51 CO 0.57 0.37 0.38 0.15 -1.33 0.00 0.00 175.26 175.40 2ekj s LYS 52 N -3.10 2.27 -0.30 -4.83 -0.14 -0.75 -5.05 119.74 107.85 2ekj s LYS 52 Ca 0.26 -1.97 -0.14 0.00 -1.36 0.00 0.00 55.97 52.75 2ekj s LYS 52 Cb -0.07 -2.10 0.14 0.00 -1.68 0.00 0.00 37.83 34.12 2ekj s LYS 52 CO 0.13 -0.54 0.87 -1.12 -0.76 0.00 0.00 175.35 173.92 2ekj s SER 53 N -4.24 -0.75 -0.02 2.83 0.01 -1.26 -3.25 113.70 107.02 2ekj s SER 53 Ca 0.35 1.08 0.02 0.00 1.31 0.00 0.00 55.95 58.71 2ekj s SER 53 Cb -0.02 1.70 -0.03 0.00 0.21 0.00 0.00 66.02 67.88 2ekj s SER 53 CO 0.21 -0.16 -0.06 0.68 0.41 0.00 0.00 173.24 174.33 2ekj s VAL 54 N 2.25 3.75 0.32 3.43 -7.23 -0.64 -4.99 120.40 117.29 2ekj s VAL 54 Ca -0.06 -0.64 -0.16 0.00 -1.81 0.00 0.00 61.98 59.32 2ekj s VAL 54 Cb -0.07 -2.61 -0.09 0.00 0.56 0.00 0.00 36.38 34.18 2ekj s VAL 54 CO -0.18 0.46 0.74 -0.55 -0.31 0.00 0.00 175.10 175.27 2ekj s SER 55 N -1.23 6.81 -0.02 4.85 0.15 -1.26 -2.77 113.70 120.22 2ekj s SER 55 Ca 0.16 1.31 0.03 0.00 0.70 0.00 0.00 55.95 58.15 2ekj s SER 55 Cb -0.11 -2.38 -0.00 0.00 -1.71 0.00 0.00 66.02 61.81 2ekj s SER 55 CO 0.06 -0.19 -0.12 -0.69 1.20 0.00 0.00 173.24 173.50 2ekj s VAL 56 N -1.95 1.01 -1.93 4.45 1.01 -1.25 -4.97 120.40 116.77 2ekj s VAL 56 Ca 0.53 -0.51 0.16 0.00 0.00 0.00 0.00 61.98 62.16 2ekj s VAL 56 Cb -0.11 -0.87 0.43 0.00 0.00 0.00 0.00 36.38 35.83 2ekj s VAL 56 CO 0.18 0.30 1.36 -0.81 0.00 0.00 0.00 175.10 176.12 2ekj n PRO 57 N 3.06 0.46 0.00 2.72 -0.04 -1.26 -3.47 135.00 136.47 2ekj n PRO 57 Ca -0.17 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2ekj n PRO 57 Cb 0.54 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.50 2ekj n PRO 57 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ekj n GLY 58 N -0.02 1.04 0.33 0.55 0.00 -1.25 -4.61 105.19 101.22 2ekj n GLY 58 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.30 2ekj n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ekj h ALA 59 N 0.00 1.62 -2.84 4.61 0.00 -1.89 -3.38 119.26 117.37 2ekj h ALA 59 Ca 0.00 0.17 -0.60 0.00 0.00 0.00 0.00 54.91 54.48 2ekj h ALA 59 Cb 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 2ekj h ALA 59 CO 0.00 -0.41 -0.25 -0.98 0.00 0.00 0.00 179.25 177.61 2ekj s ARG 60 N -5.81 4.06 -0.41 0.00 1.70 -1.26 -4.98 118.95 112.25 2ekj s ARG 60 Ca -0.11 0.28 0.02 0.00 -0.47 0.00 0.00 55.73 55.45 2ekj s ARG 60 Cb 0.27 -3.32 0.50 0.00 -0.57 0.00 0.00 34.95 31.83 2ekj s ARG 60 CO 0.78 0.46 1.82 0.45 -1.08 0.00 0.00 175.30 177.74 2ekj n SER 61 N 2.70 4.55 -3.43 -2.89 2.88 -1.26 -4.83 113.62 111.34 2ekj n SER 61 Ca -0.13 -3.36 -0.12 0.00 -1.33 0.00 0.00 58.87 53.94 2ekj n SER 61 Cb 0.52 -0.83 -0.02 0.00 -0.75 0.00 0.00 64.21 63.13 2ekj n SER 61 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2ekj s HIS 62 N -2.78 -0.52 -0.17 0.66 0.00 -1.26 -2.28 115.29 108.95 2ekj s HIS 62 Ca 0.48 0.31 -0.29 0.00 -3.00 0.00 0.00 55.06 52.56 2ekj s HIS 62 Cb 0.39 0.54 0.11 0.00 -4.00 0.00 0.00 32.58 29.63 2ekj s HIS 62 CO 0.06 -0.84 0.92 0.54 -1.00 0.00 0.00 174.74 174.42 2ekj s VAL 63 N -3.74 0.00 -0.15 -5.38 0.11 -0.96 -5.03 120.40 105.25 2ekj s VAL 63 Ca 0.01 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.98 2ekj s VAL 63 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2ekj s VAL 63 CO -0.13 0.00 0.14 -0.89 -3.33 0.00 0.00 175.10 170.89 2ekj s THR 64 N -0.78 5.47 -0.64 5.04 2.01 -1.26 -2.98 115.64 122.50 2ekj s THR 64 Ca -0.03 0.20 -0.11 0.00 0.31 0.00 0.00 61.69 62.07 2ekj s THR 64 Cb -0.02 -3.42 0.16 0.00 0.01 0.00 0.00 72.50 69.24 2ekj s THR 64 CO 0.02 0.56 0.54 -0.76 -0.69 0.00 0.00 174.62 174.29 2ekj s LEU 65 N -0.55 6.08 1.15 4.42 1.43 -0.90 -4.94 118.68 125.38 2ekj s LEU 65 Ca 0.13 -2.35 -0.17 0.00 -1.03 0.00 0.00 54.13 50.70 2ekj s LEU 65 Cb -0.12 -2.09 0.26 0.00 0.03 0.00 0.00 46.19 44.28 2ekj s LEU 65 CO 0.02 -0.62 1.11 -2.16 0.23 0.00 0.00 176.35 174.93 2ekj s PRO 66 N 0.70 -0.83 -1.14 1.29 0.04 -1.26 -2.79 135.00 131.01 2ekj s PRO 66 Ca 0.12 0.07 -0.04 0.00 0.04 0.00 0.00 61.00 61.19 2ekj s PRO 66 Cb -0.20 -1.63 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 2ekj s PRO 66 CO -0.03 -3.48 0.94 -0.25 0.04 0.00 0.00 177.00 174.21 2ekj n ASP 67 N -4.62 -4.24 -4.58 6.66 9.92 0.06 -4.86 116.55 114.89 2ekj n ASP 67 Ca 0.11 -0.69 -0.24 0.00 -0.53 0.00 0.00 54.79 53.45 2ekj n ASP 67 Cb 0.59 -5.03 -0.08 0.00 -0.64 0.00 0.00 41.12 35.95 2ekj n ASP 67 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2ekj s LEU 68 N -5.94 2.94 0.00 0.64 1.43 0.23 -4.98 118.68 113.00 2ekj s LEU 68 Ca 0.23 -0.83 0.07 0.00 -1.03 0.00 0.00 54.13 52.57 2ekj s LEU 68 Cb -0.03 -1.45 0.07 0.00 0.03 0.00 0.00 46.19 44.81 2ekj s LEU 68 CO 0.75 -0.01 0.58 0.00 0.23 0.00 0.00 176.35 177.90 2ekj n GLN 69 N -0.80 0.70 -4.16 1.70 6.02 -1.17 -3.76 117.38 115.91 2ekj n GLN 69 Ca -0.06 -2.24 -0.30 0.00 -0.01 0.00 0.00 57.00 54.39 2ekj n GLN 69 Cb 0.60 -0.18 -0.09 0.00 1.02 0.00 0.00 30.24 31.59 2ekj n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ekj s ALA 70 N -2.52 3.18 -1.31 -1.58 0.00 -1.25 -4.55 121.76 113.73 2ekj s ALA 70 Ca 0.44 -1.16 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 2ekj s ALA 70 Cb -0.03 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 22.00 2ekj s ALA 70 CO 0.28 0.68 0.82 0.00 0.00 0.00 0.00 175.76 177.54 2ekj n ALA 71 N 0.61 -1.90 -3.28 0.00 0.00 -1.22 -4.96 120.51 109.76 2ekj n ALA 71 Ca -0.12 -0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 2ekj n ALA 71 Cb 0.52 -2.50 -0.10 0.00 0.00 0.00 0.00 19.45 17.37 2ekj n ALA 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2ekj s THR 72 N -3.55 0.02 0.68 0.00 2.01 -1.26 -4.96 115.64 108.58 2ekj s THR 72 Ca 0.10 -0.13 -0.05 0.00 0.31 0.00 0.00 61.69 61.92 2ekj s THR 72 Cb -0.05 -0.59 0.06 0.00 0.01 0.00 0.00 72.50 71.93 2ekj s THR 72 CO 0.79 -0.07 0.98 -0.54 -0.69 0.00 0.00 174.62 175.09 2ekj s LYS 73 N -0.26 2.23 -0.28 4.92 3.01 -1.26 -1.44 119.74 126.66 2ekj s LYS 73 Ca -0.04 -0.36 0.00 0.00 -1.01 0.00 0.00 55.97 54.56 2ekj s LYS 73 Cb -0.03 -2.22 0.17 0.00 -1.01 0.00 0.00 37.83 34.74 2ekj s LYS 73 CO 0.02 -1.17 0.50 0.71 0.51 0.00 0.00 175.35 175.92 2ekj s TYR 74 N -3.17 -1.30 -0.49 3.18 1.51 -1.26 -4.55 117.35 111.27 2ekj s TYR 74 Ca 0.60 1.12 -0.27 0.00 -1.01 0.00 0.00 57.07 57.50 2ekj s TYR 74 Cb -0.11 0.24 -0.03 0.00 -0.11 0.00 0.00 41.96 41.95 2ekj s TYR 74 CO 0.44 -0.88 1.96 0.50 -1.11 0.00 0.00 175.55 176.46 2ekj s ARG 75 N 2.70 2.75 -0.38 -0.62 3.52 0.12 -3.88 118.95 123.16 2ekj s ARG 75 Ca 0.15 1.06 -0.21 0.00 -0.13 0.00 0.00 55.73 56.60 2ekj s ARG 75 Cb -0.14 -4.37 0.01 0.00 -1.56 0.00 0.00 34.95 28.89 2ekj s ARG 75 CO -0.22 -2.56 0.69 0.08 -0.81 0.00 0.00 175.30 172.49 2ekj s VAL 76 N 9.01 4.81 -0.26 7.11 1.01 0.11 -2.69 120.40 139.50 2ekj s VAL 76 Ca 0.78 0.56 -0.06 0.00 0.00 0.00 0.00 61.98 63.26 2ekj s VAL 76 Cb -0.17 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 2ekj s VAL 76 CO 0.26 -0.44 0.05 -0.76 0.00 0.00 0.00 175.10 174.21 2ekj s LEU 77 N 2.90 3.51 0.25 3.92 1.02 0.76 -1.92 118.68 129.13 2ekj s LEU 77 Ca 0.27 -0.47 0.09 0.00 0.02 0.00 0.00 54.13 54.03 2ekj s LEU 77 Cb -0.14 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 2ekj s LEU 77 CO 0.17 -0.10 0.02 -0.69 0.02 0.00 0.00 176.35 175.77 2ekj s VAL 78 N 1.53 3.61 -0.26 -1.59 1.01 -0.91 0.39 120.40 124.18 2ekj s VAL 78 Ca 0.05 -1.76 -0.13 0.00 0.00 0.00 0.00 61.98 60.13 2ekj s VAL 78 Cb -0.16 -2.91 0.08 0.00 0.00 0.00 0.00 36.38 33.40 2ekj s VAL 78 CO 0.02 -0.32 0.62 -0.44 0.00 0.00 0.00 175.10 174.98 2ekj s SER 79 N -3.55 -0.86 -0.10 3.32 0.01 -1.14 -1.88 113.70 109.49 2ekj s SER 79 Ca 0.31 1.39 -0.30 0.00 1.31 0.00 0.00 55.95 58.66 2ekj s SER 79 Cb -0.07 1.40 -0.01 0.00 0.21 0.00 0.00 66.02 67.54 2ekj s SER 79 CO 0.20 -0.23 1.03 0.00 0.41 0.00 0.00 173.24 174.65 2ekj s ALA 80 N 1.81 3.42 -0.27 1.44 0.00 -1.26 -2.00 121.76 124.90 2ekj s ALA 80 Ca -0.09 0.40 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 2ekj s ALA 80 Cb -0.07 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 2ekj s ALA 80 CO -0.18 -0.63 0.26 0.42 0.00 0.00 0.00 175.76 175.63 2ekj s ILE 81 N 2.05 5.26 0.30 0.00 1.09 -0.80 -0.58 121.20 128.53 2ekj s ILE 81 Ca 0.49 0.33 0.09 0.00 -1.10 0.00 0.00 60.65 60.46 2ekj s ILE 81 Cb -0.19 -3.59 -0.04 0.00 -1.06 0.00 0.00 42.46 37.57 2ekj s ILE 81 CO 0.18 0.22 0.04 -0.31 -0.10 0.00 0.00 174.94 174.97 2ekj s TYR 82 N 1.83 2.66 0.25 3.97 2.02 -0.85 -0.37 117.35 126.87 2ekj s TYR 82 Ca 0.10 -0.31 -0.08 0.00 -0.37 0.00 0.00 57.07 56.41 2ekj s TYR 82 Cb -0.16 -1.37 0.42 0.00 -0.40 0.00 0.00 41.96 40.45 2ekj s TYR 82 CO 0.10 0.52 1.61 0.00 -1.57 0.00 0.00 175.55 176.21 2ekj h ALA 83 N 1.78 0.71 0.35 3.71 0.00 -1.99 -2.30 119.26 121.53 2ekj h ALA 83 Ca -0.44 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2ekj h ALA 83 Cb 1.25 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2ekj h ALA 83 CO 0.62 -0.43 -0.17 0.00 0.00 0.00 0.00 179.25 179.28 2ekj h ALA 84 N 1.77 -0.47 -2.15 0.00 0.00 -1.95 -3.49 119.26 112.97 2ekj h ALA 84 Ca 0.42 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.36 2ekj h ALA 84 Cb 0.71 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.58 2ekj h ALA 84 CO -0.75 -0.49 0.56 0.20 0.00 0.00 0.00 179.25 178.77 2ekj s GLY 85 N -2.96 -0.29 0.14 0.00 0.00 -0.86 -5.16 107.32 98.19 2ekj s GLY 85 Ca -0.11 0.33 -0.18 0.00 0.00 0.00 0.00 44.72 44.76 2ekj s GLY 85 CO 0.37 0.06 0.62 1.09 0.00 0.00 0.00 173.10 175.24 2ekj s ARG 86 N -3.09 4.18 1.04 2.90 1.70 -1.26 -2.01 118.95 122.41 2ekj s ARG 86 Ca 0.12 0.73 -0.17 0.00 -0.47 0.00 0.00 55.73 55.94 2ekj s ARG 86 Cb -0.00 -3.06 0.22 0.00 -0.57 0.00 0.00 34.95 31.54 2ekj s ARG 86 CO 0.00 0.53 1.23 -1.54 -1.08 0.00 0.00 175.30 174.44 2ekj s SER 87 N -1.43 2.41 0.99 -2.89 1.04 0.26 -4.95 113.70 109.12 2ekj s SER 87 Ca 0.36 0.47 -0.12 0.00 0.48 0.00 0.00 55.95 57.13 2ekj s SER 87 Cb -0.18 -0.64 0.19 0.00 0.10 0.00 0.00 66.02 65.49 2ekj s SER 87 CO 0.20 -3.19 0.43 -1.84 0.98 0.00 0.00 173.24 169.82 2ekj n GLU 88 N -4.11 -1.59 -4.58 4.02 0.28 -1.26 -4.52 120.64 108.89 2ekj n GLU 88 Ca 0.14 -0.72 -0.31 0.00 -0.16 0.00 0.00 57.16 56.11 2ekj n GLU 88 Cb 0.59 -1.35 -0.17 0.00 1.43 0.00 0.00 31.44 31.94 2ekj n GLU 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ekj s ALA 89 N -2.05 2.03 -0.25 -1.84 0.00 -1.26 -4.45 121.76 113.94 2ekj s ALA 89 Ca 0.33 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 51.22 2ekj s ALA 89 Cb -0.06 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 2ekj s ALA 89 CO 0.28 -0.06 0.19 0.14 0.00 0.00 0.00 175.76 176.31 2ekj s VAL 90 N 0.90 5.33 0.20 0.00 -7.23 -0.79 -4.89 120.40 113.92 2ekj s VAL 90 Ca -0.07 0.23 -0.02 0.00 -1.81 0.00 0.00 61.98 60.31 2ekj s VAL 90 Cb -0.15 -3.53 -0.05 0.00 0.56 0.00 0.00 36.38 33.21 2ekj s VAL 90 CO -0.02 0.31 0.42 -0.44 -0.31 0.00 0.00 175.10 175.05 2ekj s SER 91 N 1.25 6.42 -0.14 4.85 0.01 -1.26 -2.14 113.70 122.69 2ekj s SER 91 Ca 0.09 0.50 -0.25 0.00 1.31 0.00 0.00 55.95 57.60 2ekj s SER 91 Cb -0.14 -2.05 0.06 0.00 0.21 0.00 0.00 66.02 64.09 2ekj s SER 91 CO 0.07 -0.05 0.61 0.00 0.41 0.00 0.00 173.24 174.28 2ekj s ALA 92 N -1.86 -1.56 -0.11 1.44 0.00 -0.81 -4.93 121.76 113.94 2ekj s ALA 92 Ca 0.40 1.45 -0.02 0.00 0.00 0.00 0.00 51.96 53.78 2ekj s ALA 92 Cb -0.11 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 2ekj s ALA 92 CO 0.28 -0.32 -0.02 0.95 0.00 0.00 0.00 175.76 176.65 2ekj s THR 93 N -0.43 4.12 -0.35 0.00 -4.23 -1.26 0.07 115.64 113.55 2ekj s THR 93 Ca -0.06 -0.31 0.02 0.00 -1.18 0.00 0.00 61.69 60.17 2ekj s THR 93 Cb -0.03 -2.75 0.15 0.00 1.34 0.00 0.00 72.50 71.21 2ekj s THR 93 CO 0.05 0.56 0.35 -0.83 -0.54 0.00 0.00 174.62 174.21 2ekj s GLY 94 N -0.42 -0.01 0.33 3.99 0.00 -1.25 -4.81 107.32 105.15 2ekj s GLY 94 Ca 0.07 -0.89 -0.26 0.00 0.00 0.00 0.00 44.72 43.64 2ekj s GLY 94 CO 0.02 2.69 0.91 -0.18 0.00 0.00 0.00 173.10 176.55 2ekj n GLN 95 N 4.44 1.15 -1.89 2.90 7.27 -1.26 -4.19 117.38 125.80 2ekj n GLN 95 Ca 0.09 0.41 -0.24 0.00 0.07 0.00 0.00 57.00 57.32 2ekj n GLN 95 Cb 0.45 -1.78 0.16 0.00 2.41 0.00 0.00 30.24 31.48 2ekj n GLN 95 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2ekj n THR 96 N -0.09 0.00 -3.16 1.69 -2.24 -0.52 -4.55 114.28 105.41 2ekj n THR 96 Ca 0.10 -1.04 -0.35 0.00 -2.27 0.00 0.00 64.05 60.49 2ekj n THR 96 Cb 0.34 -1.36 -0.06 0.00 -2.10 0.00 0.00 70.33 67.15 2ekj n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ekj s ALA 97 N -3.69 3.42 -0.09 6.98 0.00 -1.26 -4.28 121.76 122.83 2ekj s ALA 97 Ca 0.64 0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.66 2ekj s ALA 97 Cb -0.02 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 2ekj s ALA 97 CO 0.44 0.36 -0.01 0.00 0.00 0.00 0.00 175.76 176.54 2ekj s PRO 99 N -0.66 2.57 -0.01 0.00 0.04 -1.26 -4.64 135.00 131.05 2ekj s PRO 99 Ca 0.10 0.01 -0.02 0.00 0.04 0.00 0.00 61.00 61.14 2ekj s PRO 99 Cb -0.12 -4.84 -0.01 0.00 0.04 0.00 0.00 34.50 29.57 2ekj s PRO 99 CO 0.02 -3.17 -0.05 0.45 0.04 0.00 0.00 177.00 174.29 2ekj n SER 100 N 13.59 0.63 -4.03 6.66 2.88 -1.26 -5.11 113.62 126.98 2ekj n SER 100 Ca 0.34 0.09 -0.08 0.00 -1.33 0.00 0.00 58.87 57.89 2ekj n SER 100 Cb 0.49 -0.22 -0.09 0.00 -0.75 0.00 0.00 64.21 63.63 2ekj n SER 100 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ekj s GLY 101 N -4.74 0.39 0.00 0.46 0.00 -1.26 -5.02 107.32 97.15 2ekj s GLY 101 Ca -0.05 -1.07 0.11 0.00 0.00 0.00 0.00 44.72 43.71 2ekj s GLY 101 CO 0.07 -1.19 1.10 -1.55 0.00 0.00 0.00 173.10 171.53 2ekj n PRO 102 N 0.06 0.49 -0.26 2.90 -0.04 -1.26 -4.15 135.00 132.74 2ekj n PRO 102 Ca -0.14 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.25 2ekj n PRO 102 Cb 0.61 -1.36 -0.06 0.00 -0.04 0.00 0.00 33.50 32.65 2ekj n PRO 102 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ekj n SER 103 N -0.86 -0.66 -3.88 3.54 2.88 -1.26 -4.51 113.62 108.86 2ekj n SER 103 Ca 0.08 1.23 -0.35 0.00 -1.33 0.00 0.00 58.87 58.50 2ekj n SER 103 Cb 0.04 -0.20 0.02 0.00 -0.75 0.00 0.00 64.21 63.32 2ekj n SER 103 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ekj n SER 104 N -4.58 -4.44 0.00 -3.46 7.64 -1.26 -5.28 113.62 102.24 2ekj n SER 104 Ca 0.01 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.31 2ekj n SER 104 Cb 0.16 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 2ekj n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64