#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 -0.43 -3.35 1.61 0.87 -2.13 -3.44 113.55 106.68 2ekj h SER 2 Ca 0.00 -0.01 -0.56 0.00 -1.23 0.00 0.00 61.79 59.99 2ekj h SER 2 Cb 0.00 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.02 2ekj h SER 2 CO 0.00 0.01 0.05 -0.44 -0.53 0.00 0.00 176.83 175.92 2ekj s SER 3 N -4.98 7.00 0.00 6.23 0.01 -1.26 -5.02 113.70 115.68 2ekj s SER 3 Ca -0.08 1.20 0.00 0.00 1.31 0.00 0.00 55.95 58.38 2ekj s SER 3 Cb 0.01 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.84 2ekj s SER 3 CO 0.25 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2ekj n GLY 4 N 2.74 0.97 3.19 3.44 0.00 -1.26 -5.18 105.19 109.09 2ekj n GLY 4 Ca -0.04 0.57 -0.18 0.00 0.00 0.00 0.00 46.02 46.37 2ekj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ekj s SER 5 N 0.00 1.74 -0.97 1.61 0.01 -1.26 -5.09 113.70 109.75 2ekj s SER 5 Ca 0.00 -0.68 -0.21 0.00 1.31 0.00 0.00 55.95 56.37 2ekj s SER 5 Cb 0.00 -0.05 0.09 0.00 0.21 0.00 0.00 66.02 66.27 2ekj s SER 5 CO 0.00 -0.11 1.29 -0.94 0.41 0.00 0.00 173.24 173.89 2ekj s SER 6 N -1.98 6.55 0.02 2.44 1.04 -1.26 -4.29 113.70 116.23 2ekj s SER 6 Ca 0.01 -1.71 0.00 0.00 0.48 0.00 0.00 55.95 54.73 2ekj s SER 6 Cb -0.08 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2ekj s SER 6 CO 0.02 -1.30 0.00 0.61 0.98 0.00 0.00 173.24 173.55 2ekj n GLY 7 N 6.19 -0.74 3.31 7.32 0.00 -1.26 -5.10 105.19 114.91 2ekj n GLY 7 Ca 0.28 0.10 -0.36 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.00 3.06 -0.17 1.61 0.52 -1.26 -4.83 118.95 115.88 2ekj s ARG 8 Ca 0.00 -0.87 0.01 0.00 -0.52 0.00 0.00 55.73 54.35 2ekj s ARG 8 Cb 0.00 -3.27 0.01 0.00 0.52 0.00 0.00 34.95 32.21 2ekj s ARG 8 CO 0.00 -0.42 -0.18 0.45 0.02 0.00 0.00 175.30 175.17 2ekj s SER 9 N 1.46 3.35 0.74 0.23 0.15 -1.26 -4.90 113.70 113.47 2ekj s SER 9 Ca 0.02 -0.57 -0.12 0.00 0.70 0.00 0.00 55.95 55.98 2ekj s SER 9 Cb -0.17 -1.51 0.04 0.00 -1.71 0.00 0.00 66.02 62.67 2ekj s SER 9 CO 0.01 0.04 1.10 -2.16 1.20 0.00 0.00 173.24 173.43 2ekj s PRO 10 N 1.06 2.42 0.05 5.44 0.04 -1.26 -4.68 135.00 138.06 2ekj s PRO 10 Ca -0.01 1.24 -0.31 0.00 0.04 0.00 0.00 61.00 61.97 2ekj s PRO 10 Cb -0.14 -1.91 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 2ekj s PRO 10 CO -0.06 -1.53 1.41 -1.25 0.04 0.00 0.00 177.00 175.62 2ekj s PRO 11 N -4.65 4.29 0.51 0.56 0.04 -1.26 -4.85 135.00 129.63 2ekj s PRO 11 Ca 0.63 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.71 2ekj s PRO 11 Cb -0.18 -3.46 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 2ekj s PRO 11 CO 0.52 -0.53 0.03 -1.12 0.04 0.00 0.00 177.00 175.93 2ekj s SER 12 N 1.65 4.15 -1.26 6.66 0.01 -1.24 -4.77 113.70 118.91 2ekj s SER 12 Ca 0.65 -1.62 -0.03 0.00 1.31 0.00 0.00 55.95 56.26 2ekj s SER 12 Cb -0.34 0.48 0.00 0.00 0.21 0.00 0.00 66.02 66.37 2ekj s SER 12 CO 0.28 -0.85 0.43 0.59 0.41 0.00 0.00 173.24 174.10 2ekj n ASN 13 N -1.28 -5.16 -4.70 2.44 3.02 -1.26 -0.81 115.26 107.51 2ekj n ASN 13 Ca -0.18 -0.20 -0.44 0.00 -0.03 0.00 0.00 54.58 53.73 2ekj n ASN 13 Cb 0.67 -4.04 -0.03 0.00 -0.61 0.00 0.00 39.78 35.77 2ekj n ASN 13 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ekj n LEU 14 N -3.15 3.62 -3.75 3.41 4.77 -1.26 -4.49 117.00 116.16 2ekj n LEU 14 Ca -0.10 1.09 -0.28 0.00 -0.03 0.00 0.00 56.01 56.69 2ekj n LEU 14 Cb 0.60 -1.51 -0.16 0.00 -2.33 0.00 0.00 43.42 40.02 2ekj n LEU 14 CO 0.36 -0.07 -0.37 0.00 -1.33 0.00 0.00 177.39 175.97 2ekj s ALA 15 N 0.73 1.09 -0.40 -1.18 0.00 -1.08 -5.01 121.76 115.92 2ekj s ALA 15 Ca 0.74 -0.77 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 2ekj s ALA 15 Cb -0.58 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.34 2ekj s ALA 15 CO 0.39 -1.19 0.50 -0.51 0.00 0.00 0.00 175.76 174.95 2ekj s LEU 16 N 1.82 4.59 -0.16 0.00 1.02 -1.26 -2.48 118.68 122.20 2ekj s LEU 16 Ca -0.01 -0.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.76 2ekj s LEU 16 Cb -0.17 -2.52 -0.01 0.00 0.02 0.00 0.00 46.19 43.51 2ekj s LEU 16 CO -0.08 -0.57 -0.12 0.00 0.02 0.00 0.00 176.35 175.60 2ekj s ALA 17 N 2.35 2.64 -0.33 4.21 0.00 0.14 -4.91 121.76 125.86 2ekj s ALA 17 Ca 0.16 -0.99 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 2ekj s ALA 17 Cb -0.16 -1.33 -0.01 0.00 0.00 0.00 0.00 23.12 21.62 2ekj s ALA 17 CO 0.15 0.02 0.20 0.45 0.00 0.00 0.00 175.76 176.57 2ekj s SER 18 N 0.73 5.78 -0.02 0.00 0.15 -1.26 0.12 113.70 119.20 2ekj s SER 18 Ca -0.05 -0.55 0.15 0.00 0.70 0.00 0.00 55.95 56.21 2ekj s SER 18 Cb -0.15 -2.06 -0.23 0.00 -1.71 0.00 0.00 66.02 61.86 2ekj s SER 18 CO 0.02 -0.24 0.32 -0.62 1.20 0.00 0.00 173.24 173.92 2ekj n GLU 19 N 5.04 0.50 -3.74 5.44 -0.58 -1.26 -4.70 120.64 121.34 2ekj n GLU 19 Ca -0.13 -0.13 -0.14 0.00 -0.42 0.00 0.00 57.16 56.34 2ekj n GLU 19 Cb 0.49 -1.36 -0.09 0.00 -0.57 0.00 0.00 31.44 29.91 2ekj n GLU 19 CO 0.00 0.00 0.00 -0.08 -0.48 0.00 0.00 177.13 176.57 2ekj s THR 20 N -3.03 0.04 -2.00 2.62 -1.32 -1.22 -5.00 115.64 105.71 2ekj s THR 20 Ca -0.06 -0.30 0.11 0.00 -1.21 0.00 0.00 61.69 60.23 2ekj s THR 20 Cb 0.10 -0.61 0.30 0.00 -1.51 0.00 0.00 72.50 70.78 2ekj s THR 20 CO 0.63 -0.16 1.07 -0.81 -2.21 0.00 0.00 174.62 173.14 2ekj n PRO 21 N 1.74 0.49 -0.00 7.08 -0.04 -1.26 -1.81 135.00 141.20 2ekj n PRO 21 Ca -0.19 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.29 2ekj n PRO 21 Cb 0.56 -1.34 -0.02 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.84 0.29 -3.78 3.54 8.00 -1.26 -3.64 116.55 118.86 2ekj n ASP 22 Ca 0.08 -0.57 -0.11 0.00 0.71 0.00 0.00 54.79 54.90 2ekj n ASP 22 Cb 0.04 1.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.07 2ekj n ASP 22 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2ekj s SER 23 N -1.38 -0.07 -0.07 -2.24 0.01 -0.75 -0.41 113.70 108.79 2ekj s SER 23 Ca 0.01 -0.27 -0.02 0.00 1.31 0.00 0.00 55.95 56.98 2ekj s SER 23 Cb 0.03 0.34 0.03 0.00 0.21 0.00 0.00 66.02 66.63 2ekj s SER 23 CO 0.15 -0.62 0.02 -0.22 0.41 0.00 0.00 173.24 172.99 2ekj s LEU 24 N -2.16 0.47 0.32 2.44 2.96 -1.16 -3.46 118.68 118.09 2ekj s LEU 24 Ca -0.04 -0.09 -0.27 0.00 -0.22 0.00 0.00 54.13 53.51 2ekj s LEU 24 Cb -0.00 -0.35 -0.09 0.00 0.50 0.00 0.00 46.19 46.25 2ekj s LEU 24 CO -0.04 -0.22 1.06 -1.58 -1.32 0.00 0.00 176.35 174.24 2ekj s GLN 25 N 2.04 4.47 -0.16 1.98 2.00 0.33 -2.64 119.66 127.68 2ekj s GLN 25 Ca 0.05 1.64 -0.08 0.00 -2.00 0.00 0.00 55.36 54.97 2ekj s GLN 25 Cb -0.13 -2.93 0.06 0.00 0.80 0.00 0.00 33.01 30.81 2ekj s GLN 25 CO -0.05 0.11 0.37 0.54 -0.50 0.00 0.00 175.29 175.76 2ekj s VAL 26 N -1.37 -0.04 0.29 1.34 0.11 -1.06 0.25 120.40 119.91 2ekj s VAL 26 Ca 0.49 0.11 0.04 0.00 -2.93 0.00 0.00 61.98 59.69 2ekj s VAL 26 Cb -0.27 -0.56 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 2ekj s VAL 26 CO 0.34 0.04 0.13 -0.24 -3.33 0.00 0.00 175.10 172.05 2ekj n SER 27 N 4.28 0.75 -3.63 3.54 2.88 -1.04 -1.06 113.62 119.36 2ekj n SER 27 Ca -0.23 -2.62 -0.01 0.00 -1.33 0.00 0.00 58.87 54.68 2ekj n SER 27 Cb 0.55 0.88 -0.01 0.00 -0.75 0.00 0.00 64.21 64.88 2ekj n SER 27 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2ekj s TRP 28 N -2.76 -0.08 -0.45 0.66 -2.14 -0.46 -2.63 118.94 111.08 2ekj s TRP 28 Ca 0.19 -0.04 -0.19 0.00 2.66 0.00 0.00 56.10 58.72 2ekj s TRP 28 Cb 0.01 0.55 0.03 0.00 -3.10 0.00 0.00 33.47 30.96 2ekj s TRP 28 CO 0.13 -0.34 0.56 0.99 -2.66 0.00 0.00 176.95 175.63 2ekj s THR 29 N -2.56 4.93 0.38 0.66 2.01 0.01 -4.78 115.64 116.28 2ekj s THR 29 Ca 0.13 -0.23 -0.26 0.00 0.31 0.00 0.00 61.69 61.64 2ekj s THR 29 Cb 0.03 -4.17 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 2ekj s THR 29 CO -0.03 -0.60 1.20 -2.16 -0.69 0.00 0.00 174.62 172.34 2ekj s PRO 30 N 2.52 4.15 1.01 4.92 0.04 -1.26 -3.68 135.00 142.70 2ekj s PRO 30 Ca 0.17 1.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.96 2ekj s PRO 30 Cb -0.17 -2.80 0.25 0.00 0.04 0.00 0.00 34.50 31.83 2ekj s PRO 30 CO 0.15 -0.26 0.90 -0.35 0.04 0.00 0.00 177.00 177.47 2ekj n PRO 31 N 0.30 -2.77 0.01 0.56 -0.04 -1.26 -4.99 135.00 126.81 2ekj n PRO 31 Ca 0.03 -1.44 -0.07 0.00 -0.04 0.00 0.00 63.50 61.98 2ekj n PRO 31 Cb 0.45 -1.35 -0.13 0.00 -0.04 0.00 0.00 33.50 32.44 2ekj n PRO 31 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2ekj h LEU 32 N 0.00 0.00-10.23 1.53 -0.00 -1.96 -3.47 115.31 101.18 2ekj h LEU 32 Ca -0.34 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.03 2ekj h LEU 32 Cb 1.03 0.00 0.13 0.00 -0.00 0.00 0.00 40.66 41.82 2ekj h LEU 32 CO 0.22 0.97 0.35 -0.83 -0.00 0.00 0.00 178.44 179.15 2ekj s GLY 33 N -4.95 2.02 -0.09 0.17 0.00 -1.26 -4.95 107.32 98.26 2ekj s GLY 33 Ca -0.03 0.53 -0.30 0.00 0.00 0.00 0.00 44.72 44.93 2ekj s GLY 33 CO 0.82 0.90 1.38 -1.60 0.00 0.00 0.00 173.10 174.60 2ekj s ARG 34 N -4.32 4.24 -0.19 2.90 3.00 -1.26 -5.01 118.95 118.32 2ekj s ARG 34 Ca 0.67 1.86 -0.04 0.00 -1.00 0.00 0.00 55.73 57.22 2ekj s ARG 34 Cb -0.21 -3.75 -0.02 0.00 0.00 0.00 0.00 34.95 30.96 2ekj s ARG 34 CO 0.47 -0.68 -0.03 0.08 0.00 0.00 0.00 175.30 175.14 2ekj s VAL 35 N 3.25 3.69 0.03 7.11 1.01 -1.26 -4.69 120.40 129.53 2ekj s VAL 35 Ca 0.61 -0.41 -0.26 0.00 0.00 0.00 0.00 61.98 61.93 2ekj s VAL 35 Cb -0.27 -2.65 -0.14 0.00 0.00 0.00 0.00 36.38 33.32 2ekj s VAL 35 CO 0.22 0.45 1.23 -0.07 0.00 0.00 0.00 175.10 176.92 2ekj h LEU 36 N 7.42 -0.79 -8.34 3.92 3.38 -1.38 -3.42 115.31 116.11 2ekj h LEU 36 Ca -0.35 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.53 2ekj h LEU 36 Cb 1.18 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 42.03 2ekj h LEU 36 CO 0.60 -0.50 -0.25 -1.38 0.09 0.00 0.00 178.44 177.00 2ekj s HIS 37 N -4.78 0.60 -0.35 1.13 -3.43 -1.25 -3.62 115.29 103.59 2ekj s HIS 37 Ca -0.14 -0.92 -0.00 0.00 -0.80 0.00 0.00 55.06 53.20 2ekj s HIS 37 Cb 0.01 -0.02 0.09 0.00 -1.43 0.00 0.00 32.58 31.24 2ekj s HIS 37 CO 0.41 -0.91 0.09 0.71 -2.00 0.00 0.00 174.74 173.04 2ekj s TYR 38 N -4.02 3.54 -0.66 0.38 2.02 -0.62 -2.05 117.35 115.95 2ekj s TYR 38 Ca 0.27 -2.45 -0.27 0.00 -0.37 0.00 0.00 57.07 54.25 2ekj s TYR 38 Cb 0.01 -2.80 0.00 0.00 -0.40 0.00 0.00 41.96 38.77 2ekj s TYR 38 CO 0.10 -0.92 1.61 -0.46 -1.57 0.00 0.00 175.55 174.31 2ekj s TRP 39 N 1.10 1.93 -0.08 2.71 -0.00 -0.74 -3.11 118.94 120.75 2ekj s TRP 39 Ca 0.05 0.44 -0.15 0.00 -0.00 0.00 0.00 56.10 56.44 2ekj s TRP 39 Cb -0.21 -4.32 -0.05 0.00 -0.00 0.00 0.00 33.47 28.89 2ekj s TRP 39 CO -0.05 -2.21 0.37 -1.17 -0.00 0.00 0.00 176.95 173.89 2ekj s LEU 40 N 7.61 4.36 -0.40 5.86 0.20 -1.02 -2.19 118.68 133.09 2ekj s LEU 40 Ca 0.54 0.76 0.01 0.00 0.69 0.00 0.00 54.13 56.13 2ekj s LEU 40 Cb -0.11 -2.51 0.14 0.00 -0.43 0.00 0.00 46.19 43.28 2ekj s LEU 40 CO 0.19 0.20 0.23 0.42 -0.29 0.00 0.00 176.35 177.10 2ekj s THR 41 N -0.27 0.76 0.30 3.68 -4.23 0.89 -0.65 115.64 116.13 2ekj s THR 41 Ca 0.21 -2.17 -0.04 0.00 -1.18 0.00 0.00 61.69 58.51 2ekj s THR 41 Cb -0.15 -1.54 -0.05 0.00 1.34 0.00 0.00 72.50 72.10 2ekj s THR 41 CO 0.09 -0.96 0.55 -0.72 -0.54 0.00 0.00 174.62 173.05 2ekj s TYR 42 N 0.66 3.48 0.01 3.99 1.13 -1.24 -1.65 117.35 123.74 2ekj s TYR 42 Ca 0.19 0.59 -0.29 0.00 -1.41 0.00 0.00 57.07 56.15 2ekj s TYR 42 Cb -0.22 -2.07 0.11 0.00 -1.10 0.00 0.00 41.96 38.67 2ekj s TYR 42 CO -0.01 0.16 1.17 0.00 -2.51 0.00 0.00 175.55 174.36 2ekj s ALA 43 N -2.13 -2.04 -0.68 9.51 0.00 -1.15 -2.20 121.76 123.06 2ekj s ALA 43 Ca 0.43 0.64 -0.26 0.00 0.00 0.00 0.00 51.96 52.77 2ekj s ALA 43 Cb -0.11 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 2ekj s ALA 43 CO 0.31 -0.99 1.88 -1.25 0.00 0.00 0.00 175.76 175.72 2ekj s PRO 44 N -2.69 2.61 0.26 0.00 0.04 -1.26 0.58 135.00 134.53 2ekj s PRO 44 Ca 0.13 0.39 0.05 0.00 0.04 0.00 0.00 61.00 61.62 2ekj s PRO 44 Cb 0.02 -4.55 0.72 0.00 0.04 0.00 0.00 34.50 30.73 2ekj s PRO 44 CO -0.02 -2.89 1.24 0.00 0.04 0.00 0.00 177.00 175.36 2ekj n ALA 45 N 13.06 0.51 -0.33 8.56 0.00 -1.26 0.81 120.51 141.86 2ekj n ALA 45 Ca 0.25 0.84 0.07 0.00 0.00 0.00 0.00 53.44 54.60 2ekj n ALA 45 Cb 0.51 -0.67 0.17 0.00 0.00 0.00 0.00 19.45 19.47 2ekj n ALA 45 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ekj h SER 46 N 0.00 -0.70 -0.80 0.00 4.64 -1.90 -3.46 113.55 111.33 2ekj h SER 46 Ca 0.53 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 62.12 2ekj h SER 46 Cb 1.19 0.53 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 2ekj h SER 46 CO -0.71 -0.31 0.00 0.61 -0.87 0.00 0.00 176.83 175.56 2ekj n GLY 47 N -1.55 0.73 0.15 -0.77 0.00 0.24 -5.05 105.19 98.94 2ekj n GLY 47 Ca 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2ekj n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ekj n LEU 48 N -0.40 2.35 0.00 0.99 4.77 -1.26 -5.09 117.00 118.36 2ekj n LEU 48 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 2ekj n LEU 48 Cb 0.16 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.33 2ekj n LEU 48 CO 0.00 0.38 0.42 0.61 -1.33 0.00 0.00 177.39 177.47 2ekj n GLY 49 N 3.25 1.68 3.62 -0.72 0.00 -1.26 -5.11 105.19 106.65 2ekj n GLY 49 Ca 0.00 -2.19 -0.29 0.00 0.00 0.00 0.00 46.02 43.54 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 -4.77 -0.60 -0.12 1.61 0.04 -1.26 -4.87 135.00 125.02 2ekj s PRO 50 Ca 0.63 0.16 -0.06 0.00 0.04 0.00 0.00 61.00 61.77 2ekj s PRO 50 Cb -0.05 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.81 2ekj s PRO 50 CO 0.40 -3.34 0.10 -2.00 0.04 0.00 0.00 177.00 172.20 2ekj s GLU 51 N -5.22 3.45 0.44 4.56 2.12 -1.26 -4.64 118.70 118.14 2ekj s GLU 51 Ca 0.69 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.85 2ekj s GLU 51 Cb -0.13 -3.12 0.05 0.00 0.26 0.00 0.00 34.13 31.19 2ekj s GLU 51 CO 0.57 0.68 0.41 1.63 -0.54 0.00 0.00 175.26 178.01 2ekj n LYS 52 N 2.29 0.80 -3.64 4.30 4.76 -0.93 -5.06 118.16 120.68 2ekj n LYS 52 Ca -0.19 -2.64 -0.06 0.00 -2.87 0.00 0.00 58.31 52.54 2ekj n LYS 52 Cb 0.54 0.15 -0.07 0.00 -1.84 0.00 0.00 35.03 33.81 2ekj n LYS 52 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2ekj s SER 53 N -3.63 -0.41 -0.03 4.39 1.04 -1.26 -3.64 113.70 110.16 2ekj s SER 53 Ca 0.31 0.75 0.01 0.00 0.48 0.00 0.00 55.95 57.51 2ekj s SER 53 Cb -0.02 0.87 0.01 0.00 0.10 0.00 0.00 66.02 66.98 2ekj s SER 53 CO 0.20 -0.13 -0.05 0.68 0.98 0.00 0.00 173.24 174.93 2ekj s VAL 54 N 0.51 0.49 0.50 5.02 -7.23 0.18 -4.98 120.40 114.88 2ekj s VAL 54 Ca 0.00 -0.16 -0.18 0.00 -1.81 0.00 0.00 61.98 59.84 2ekj s VAL 54 Cb -0.05 -0.48 -0.08 0.00 0.56 0.00 0.00 36.38 36.33 2ekj s VAL 54 CO -0.10 0.19 0.99 -0.55 -0.31 0.00 0.00 175.10 175.32 2ekj s SER 55 N 0.53 6.60 -0.11 4.85 0.15 -1.26 -2.44 113.70 122.02 2ekj s SER 55 Ca -0.07 1.65 -0.10 0.00 0.70 0.00 0.00 55.95 58.13 2ekj s SER 55 Cb -0.10 -2.52 0.03 0.00 -1.71 0.00 0.00 66.02 61.72 2ekj s SER 55 CO -0.00 -0.60 0.29 -0.69 1.20 0.00 0.00 173.24 173.44 2ekj s VAL 56 N -2.46 -0.00 -0.37 4.45 1.01 -1.18 -4.96 120.40 116.89 2ekj s VAL 56 Ca 0.61 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.32 2ekj s VAL 56 Cb -0.11 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 2ekj s VAL 56 CO 0.27 0.01 1.72 -2.16 0.00 0.00 0.00 175.10 174.93 2ekj s PRO 57 N 0.29 3.33 0.50 2.72 0.04 -1.26 -1.59 135.00 139.03 2ekj s PRO 57 Ca -0.01 1.25 0.45 0.00 0.04 0.00 0.00 61.00 62.72 2ekj s PRO 57 Cb -0.03 -4.18 1.54 0.00 0.04 0.00 0.00 34.50 31.87 2ekj s PRO 57 CO -0.01 -1.87 1.40 0.41 0.04 0.00 0.00 177.00 176.97 2ekj n GLY 58 N 5.37 -0.89 0.31 0.56 0.00 -1.24 0.16 105.19 109.47 2ekj n GLY 58 Ca 0.21 0.62 0.15 0.00 0.00 0.00 0.00 46.02 46.99 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 0.88 1.41 -2.90 4.61 0.00 -1.85 -3.40 119.26 118.01 2ekj h ALA 59 Ca 0.84 0.21 -0.60 0.00 0.00 0.00 0.00 54.91 55.35 2ekj h ALA 59 Cb 3.39 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 21.39 2ekj h ALA 59 CO -0.01 -0.46 -0.53 -0.98 0.00 0.00 0.00 179.25 177.27 2ekj s ARG 60 N -5.89 3.20 -0.42 0.00 1.70 0.12 -5.02 118.95 112.65 2ekj s ARG 60 Ca -0.12 -0.60 0.04 0.00 -0.47 0.00 0.00 55.73 54.59 2ekj s ARG 60 Cb 0.26 -2.88 0.49 0.00 -0.57 0.00 0.00 34.95 32.26 2ekj s ARG 60 CO 0.78 0.56 1.60 -1.13 -1.08 0.00 0.00 175.30 176.03 2ekj n SER 61 N 0.10 4.89 -3.52 -2.89 3.41 -1.26 -4.81 113.62 109.54 2ekj n SER 61 Ca -0.07 -3.76 -0.11 0.00 -0.26 0.00 0.00 58.87 54.67 2ekj n SER 61 Cb 0.52 -0.68 -0.02 0.00 -0.26 0.00 0.00 64.21 63.78 2ekj n SER 61 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2ekj s HIS 62 N -3.54 -0.45 -0.21 7.33 0.00 -1.26 -1.35 115.29 115.82 2ekj s HIS 62 Ca 0.54 0.18 -0.28 0.00 -3.00 0.00 0.00 55.06 52.50 2ekj s HIS 62 Cb 0.45 0.57 0.13 0.00 -4.00 0.00 0.00 32.58 29.73 2ekj s HIS 62 CO 0.02 -0.92 1.04 0.54 -1.00 0.00 0.00 174.74 174.42 2ekj s VAL 63 N -3.79 0.00 -0.14 -5.38 0.11 -0.22 -4.97 120.40 106.01 2ekj s VAL 63 Ca 0.03 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 59.04 2ekj s VAL 63 Cb -0.02 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 2ekj s VAL 63 CO -0.09 0.00 0.03 -0.89 -3.33 0.00 0.00 175.10 170.82 2ekj s THR 64 N -0.65 4.51 -0.63 5.04 2.01 -1.26 -2.57 115.64 122.09 2ekj s THR 64 Ca 0.01 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 2ekj s THR 64 Cb -0.02 -2.97 0.16 0.00 0.01 0.00 0.00 72.50 69.68 2ekj s THR 64 CO -0.02 0.53 0.53 -0.76 -0.69 0.00 0.00 174.62 174.21 2ekj s LEU 65 N -0.18 6.08 1.25 4.42 1.43 -1.08 -4.94 118.68 125.66 2ekj s LEU 65 Ca 0.06 -2.30 -0.21 0.00 -1.03 0.00 0.00 54.13 50.65 2ekj s LEU 65 Cb -0.12 -2.09 0.31 0.00 0.03 0.00 0.00 46.19 44.31 2ekj s LEU 65 CO 0.02 -0.64 1.11 -2.16 0.23 0.00 0.00 176.35 174.92 2ekj s PRO 66 N 0.78 -1.62 -1.26 1.29 0.04 -1.26 -2.99 135.00 129.99 2ekj s PRO 66 Ca 0.11 -0.21 -0.01 0.00 0.04 0.00 0.00 61.00 60.93 2ekj s PRO 66 Cb -0.21 -1.56 -0.00 0.00 0.04 0.00 0.00 34.50 32.77 2ekj s PRO 66 CO -0.03 -3.94 0.82 -0.25 0.04 0.00 0.00 177.00 173.63 2ekj n ASP 67 N -4.90 -1.72 -4.78 6.66 9.92 0.04 -4.87 116.55 116.91 2ekj n ASP 67 Ca 0.15 -0.75 -0.22 0.00 -0.53 0.00 0.00 54.79 53.44 2ekj n ASP 67 Cb 0.60 -4.47 -0.05 0.00 -0.64 0.00 0.00 41.12 36.56 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 -6.51 3.46 0.00 0.64 1.43 0.45 -4.99 118.68 113.15 2ekj s LEU 68 Ca 0.02 -0.58 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2ekj s LEU 68 Cb -0.01 -1.99 0.07 0.00 0.03 0.00 0.00 46.19 44.29 2ekj s LEU 68 CO 0.78 -0.25 0.53 0.00 0.23 0.00 0.00 176.35 177.65 2ekj n GLN 69 N -1.21 0.38 -4.19 1.70 1.13 -1.24 -4.00 117.38 109.96 2ekj n GLN 69 Ca -0.04 -1.61 -0.24 0.00 -1.94 0.00 0.00 57.00 53.18 2ekj n GLN 69 Cb 0.60 -0.30 -0.06 0.00 0.11 0.00 0.00 30.24 30.59 2ekj n GLN 69 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ekj s ALA 70 N -2.81 3.36 -1.49 -1.58 0.00 -1.25 -4.49 121.76 113.50 2ekj s ALA 70 Ca 0.37 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.83 2ekj s ALA 70 Cb -0.02 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 22.03 2ekj s ALA 70 CO 0.24 0.34 0.13 0.00 0.00 0.00 0.00 175.76 176.47 2ekj n ALA 71 N -0.74 -2.09 -3.48 0.00 0.00 -1.17 -4.92 120.51 108.12 2ekj n ALA 71 Ca -0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 53.44 52.93 2ekj n ALA 71 Cb 0.57 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 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 -4.24 -0.93 1.16 0.00 2.01 -1.26 -4.91 115.64 107.48 2ekj s THR 72 Ca 0.06 0.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.90 2ekj s THR 72 Cb -0.03 -0.94 0.27 0.00 0.01 0.00 0.00 72.50 71.80 2ekj s THR 72 CO 0.99 0.00 1.12 -1.59 -0.69 0.00 0.00 174.62 174.44 2ekj s LYS 73 N 2.82 -0.87 -0.15 4.92 0.00 -1.26 -2.88 119.74 122.32 2ekj s LYS 73 Ca 0.04 -0.00 -0.07 0.00 0.00 0.00 0.00 55.97 55.94 2ekj s LYS 73 Cb -0.13 -1.63 0.06 0.00 0.00 0.00 0.00 37.83 36.13 2ekj s LYS 73 CO -0.19 -3.49 0.34 0.71 0.00 0.00 0.00 175.35 172.72 2ekj s TYR 74 N -3.05 -0.54 -0.87 1.78 1.51 -1.21 -4.30 117.35 110.67 2ekj s TYR 74 Ca 0.70 1.16 -0.25 0.00 -1.01 0.00 0.00 57.07 57.67 2ekj s TYR 74 Cb -0.11 0.16 -0.01 0.00 -0.11 0.00 0.00 41.96 41.89 2ekj s TYR 74 CO 0.56 -0.35 1.75 0.50 -1.11 0.00 0.00 175.55 176.90 2ekj s ARG 75 N 1.88 2.89 -0.36 -0.62 3.52 0.20 -3.33 118.95 123.13 2ekj s ARG 75 Ca -0.05 -0.36 -0.28 0.00 -0.13 0.00 0.00 55.73 54.91 2ekj s ARG 75 Cb -0.10 -4.96 0.02 0.00 -1.56 0.00 0.00 34.95 28.34 2ekj s ARG 75 CO -0.11 -2.88 1.03 0.08 -0.81 0.00 0.00 175.30 172.62 2ekj s VAL 76 N 8.25 4.49 -0.35 7.11 1.01 -0.17 -2.93 120.40 137.81 2ekj s VAL 76 Ca 0.61 1.49 -0.04 0.00 0.00 0.00 0.00 61.98 64.03 2ekj s VAL 76 Cb -0.06 -4.41 0.07 0.00 0.00 0.00 0.00 36.38 31.97 2ekj s VAL 76 CO 0.01 -0.57 0.11 -0.76 0.00 0.00 0.00 175.10 173.89 2ekj s LEU 77 N 3.71 4.51 0.15 3.92 1.02 -0.66 -1.48 118.68 129.85 2ekj s LEU 77 Ca 0.43 -1.45 0.03 0.00 0.02 0.00 0.00 54.13 53.16 2ekj s LEU 77 Cb -0.11 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.24 2ekj s LEU 77 CO 0.19 -0.38 0.25 -0.69 0.02 0.00 0.00 176.35 175.74 2ekj s VAL 78 N 1.29 5.14 -0.17 -1.59 1.01 -0.95 -0.08 120.40 125.05 2ekj s VAL 78 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 2ekj s VAL 78 Cb -0.21 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.59 2ekj s VAL 78 CO -0.00 -0.10 0.40 -0.94 0.00 0.00 0.00 175.10 174.46 2ekj s SER 79 N -3.21 -0.46 -0.19 3.32 1.04 -0.93 -1.66 113.70 111.61 2ekj s SER 79 Ca 0.34 0.87 -0.26 0.00 0.48 0.00 0.00 55.95 57.38 2ekj s SER 79 Cb -0.11 0.80 -0.01 0.00 0.10 0.00 0.00 66.02 66.81 2ekj s SER 79 CO 0.27 -0.20 0.89 0.00 0.98 0.00 0.00 173.24 175.19 2ekj s ALA 80 N 1.54 3.56 -0.19 5.32 0.00 -1.26 -1.79 121.76 128.94 2ekj s ALA 80 Ca -0.09 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 51.81 2ekj s ALA 80 Cb -0.09 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2ekj s ALA 80 CO -0.12 -0.78 0.26 0.42 0.00 0.00 0.00 175.76 175.54 2ekj s ILE 81 N 2.48 5.31 0.42 0.00 1.09 -0.87 -0.55 121.20 129.09 2ekj s ILE 81 Ca 0.40 0.45 0.06 0.00 -1.10 0.00 0.00 60.65 60.46 2ekj s ILE 81 Cb -0.16 -3.60 -0.07 0.00 -1.06 0.00 0.00 42.46 37.57 2ekj s ILE 81 CO 0.11 0.36 0.02 -0.31 -0.10 0.00 0.00 174.94 175.02 2ekj s TYR 82 N 0.72 2.43 0.21 3.97 2.02 0.07 -0.90 117.35 125.86 2ekj s TYR 82 Ca 0.14 -0.70 -0.09 0.00 -0.37 0.00 0.00 57.07 56.04 2ekj s TYR 82 Cb -0.13 -1.77 0.27 0.00 -0.40 0.00 0.00 41.96 39.93 2ekj s TYR 82 CO 0.04 0.40 1.77 0.00 -1.57 0.00 0.00 175.55 176.19 2ekj h ALA 83 N 1.69 0.84 -0.00 3.71 0.00 -1.99 -2.94 119.26 120.58 2ekj h ALA 83 Ca -0.44 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2ekj h ALA 83 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2ekj h ALA 83 CO 0.79 -0.10 -0.02 0.00 0.00 0.00 0.00 179.25 179.93 2ekj h ALA 84 N 1.39 0.00 -2.27 0.00 0.00 -1.98 -3.49 119.26 112.90 2ekj h ALA 84 Ca 0.30 -0.39 0.26 0.00 0.00 0.00 0.00 54.91 55.08 2ekj h ALA 84 Cb 0.31 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2ekj h ALA 84 CO -0.25 -0.10 0.75 0.20 0.00 0.00 0.00 179.25 179.85 2ekj s GLY 85 N -3.77 -0.04 -0.07 0.00 0.00 -1.11 -5.16 107.32 97.18 2ekj s GLY 85 Ca -0.17 -0.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.41 2ekj s GLY 85 CO 0.69 3.68 0.15 1.09 0.00 0.00 0.00 173.10 178.70 2ekj s ARG 86 N -2.14 3.40 0.95 2.90 1.70 -1.26 -0.75 118.95 123.74 2ekj s ARG 86 Ca 0.25 -0.24 -0.14 0.00 -0.47 0.00 0.00 55.73 55.12 2ekj s ARG 86 Cb -0.01 -3.12 0.17 0.00 -0.57 0.00 0.00 34.95 31.42 2ekj s ARG 86 CO 0.02 0.73 1.19 -1.54 -1.08 0.00 0.00 175.30 174.62 2ekj s SER 87 N -1.45 3.18 1.10 -2.89 1.04 0.29 -4.96 113.70 110.01 2ekj s SER 87 Ca 0.21 0.68 -0.15 0.00 0.48 0.00 0.00 55.95 57.17 2ekj s SER 87 Cb -0.12 -1.04 0.23 0.00 0.10 0.00 0.00 66.02 65.19 2ekj s SER 87 CO 0.11 -2.73 0.52 -1.84 0.98 0.00 0.00 173.24 170.28 2ekj n GLU 88 N -3.84 -2.19 -4.92 4.02 0.28 -1.26 -4.46 120.64 108.26 2ekj n GLU 88 Ca 0.10 -0.88 -0.33 0.00 -0.16 0.00 0.00 57.16 55.90 2ekj n GLU 88 Cb 0.60 -1.53 -0.14 0.00 1.43 0.00 0.00 31.44 31.79 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 -2.07 2.54 -0.26 -1.84 0.00 -1.26 -4.43 121.76 114.44 2ekj s ALA 89 Ca 0.40 -0.96 -0.07 0.00 0.00 0.00 0.00 51.96 51.34 2ekj s ALA 89 Cb -0.07 -1.00 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 2ekj s ALA 89 CO 0.34 0.41 0.06 0.14 0.00 0.00 0.00 175.76 176.71 2ekj s VAL 90 N -0.19 4.05 0.34 0.00 -7.23 -0.67 -4.91 120.40 111.79 2ekj s VAL 90 Ca -0.01 -0.43 -0.09 0.00 -1.81 0.00 0.00 61.98 59.65 2ekj s VAL 90 Cb -0.13 -2.97 -0.06 0.00 0.56 0.00 0.00 36.38 33.77 2ekj s VAL 90 CO 0.03 0.24 0.66 -0.94 -0.31 0.00 0.00 175.10 174.79 2ekj s SER 91 N 1.55 6.52 -0.30 4.85 1.04 -1.25 -2.25 113.70 123.86 2ekj s SER 91 Ca 0.05 0.96 -0.08 0.00 0.48 0.00 0.00 55.95 57.36 2ekj s SER 91 Cb -0.16 -2.25 0.16 0.00 0.10 0.00 0.00 66.02 63.87 2ekj s SER 91 CO 0.02 -0.27 0.74 0.00 0.98 0.00 0.00 173.24 174.71 2ekj s ALA 92 N -2.17 -2.39 -0.11 5.32 0.00 -0.55 -4.91 121.76 116.95 2ekj s ALA 92 Ca 0.48 2.03 -0.19 0.00 0.00 0.00 0.00 51.96 54.28 2ekj s ALA 92 Cb -0.11 -2.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 2ekj s ALA 92 CO 0.29 -1.13 0.51 0.95 0.00 0.00 0.00 175.76 176.38 2ekj s THR 93 N 2.81 5.16 -0.20 0.00 -4.23 -1.26 -1.00 115.64 116.93 2ekj s THR 93 Ca 0.04 1.03 -0.03 0.00 -1.18 0.00 0.00 61.69 61.55 2ekj s THR 93 Cb -0.12 -3.85 0.07 0.00 1.34 0.00 0.00 72.50 69.94 2ekj s THR 93 CO -0.19 0.32 0.06 -0.83 -0.54 0.00 0.00 174.62 173.44 2ekj s GLY 94 N 0.63 0.62 0.21 3.99 0.00 -1.21 -4.87 107.32 106.69 2ekj s GLY 94 Ca 0.28 -0.70 -0.32 0.00 0.00 0.00 0.00 44.72 43.98 2ekj s GLY 94 CO 0.12 1.57 1.50 -0.18 0.00 0.00 0.00 173.10 176.11 2ekj n GLN 95 N 5.11 2.13 -1.27 2.90 7.27 -1.26 -3.29 117.38 128.98 2ekj n GLN 95 Ca -0.08 0.76 -0.30 0.00 0.07 0.00 0.00 57.00 57.45 2ekj n GLN 95 Cb 0.47 -2.48 0.24 0.00 2.41 0.00 0.00 30.24 30.88 2ekj n GLN 95 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2ekj s THR 96 N 0.39 1.62 0.45 1.69 -4.23 -1.14 -4.62 115.64 109.79 2ekj s THR 96 Ca 0.73 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.14 2ekj s THR 96 Cb -0.65 -2.61 -0.06 0.00 1.34 0.00 0.00 72.50 70.52 2ekj s THR 96 CO 0.44 0.00 0.80 0.00 -0.54 0.00 0.00 174.62 175.32 2ekj s ALA 97 N -3.24 3.33 0.29 3.99 0.00 -1.26 -4.35 121.76 120.52 2ekj s ALA 97 Ca 0.73 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.27 2ekj s ALA 97 Cb -0.06 -2.72 -0.09 0.00 0.00 0.00 0.00 23.12 20.25 2ekj s ALA 97 CO 0.55 -0.16 0.73 0.00 0.00 0.00 0.00 175.76 176.88 2ekj s PRO 99 N -2.63 4.35 -0.27 0.00 0.04 -1.26 -4.74 135.00 130.48 2ekj s PRO 99 Ca 0.50 2.04 -0.09 0.00 0.04 0.00 0.00 61.00 63.49 2ekj s PRO 99 Cb -0.12 -3.25 0.12 0.00 0.04 0.00 0.00 34.50 31.29 2ekj s PRO 99 CO 0.19 -0.38 0.59 0.45 0.04 0.00 0.00 177.00 177.88 2ekj s SER 100 N 0.96 -0.90 -0.03 6.66 0.15 -1.26 -5.17 113.70 114.10 2ekj s SER 100 Ca 0.62 1.42 -0.30 0.00 0.70 0.00 0.00 55.95 58.39 2ekj s SER 100 Cb -0.36 2.02 0.11 0.00 -1.71 0.00 0.00 66.02 66.08 2ekj s SER 100 CO 0.32 -0.22 0.99 -0.83 1.20 0.00 0.00 173.24 174.69 2ekj s GLY 101 N 2.78 -0.40 0.04 9.45 0.00 -1.26 -5.14 107.32 112.79 2ekj s GLY 101 Ca -0.05 1.05 -0.31 0.00 0.00 0.00 0.00 44.72 45.41 2ekj s GLY 101 CO -0.17 0.34 1.42 2.56 0.00 0.00 0.00 173.10 177.24 2ekj s PRO 102 N -2.93 4.29 -0.04 2.90 0.04 -1.26 -5.02 135.00 132.98 2ekj s PRO 102 Ca 0.07 2.03 -0.08 0.00 0.04 0.00 0.00 61.00 63.06 2ekj s PRO 102 Cb -0.01 -3.47 0.01 0.00 0.04 0.00 0.00 34.50 31.07 2ekj s PRO 102 CO -0.07 -0.54 0.19 0.45 0.04 0.00 0.00 177.00 177.07 2ekj s SER 103 N 1.68 -0.11 -0.68 6.66 0.15 -1.26 -5.05 113.70 115.09 2ekj s SER 103 Ca 0.65 0.12 -0.02 0.00 0.70 0.00 0.00 55.95 57.40 2ekj s SER 103 Cb -0.34 0.32 0.41 0.00 -1.71 0.00 0.00 66.02 64.70 2ekj s SER 103 CO 0.28 -0.23 2.05 -1.54 1.20 0.00 0.00 173.24 175.00 2ekj n SER 104 N 2.16 7.60 0.00 5.45 3.41 -1.26 -5.33 113.62 125.65 2ekj n SER 104 Ca -0.18 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.68 2ekj n SER 104 Cb 0.57 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.52 2ekj n SER 104 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49