#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ekj s SER 2 N 0.00 -0.47 -0.54 1.61 0.15 -1.26 -5.05 113.70 108.14 2ekj s SER 2 Ca 0.00 0.59 0.02 0.00 0.70 0.00 0.00 55.95 57.26 2ekj s SER 2 Cb 0.00 0.50 0.44 0.00 -1.71 0.00 0.00 66.02 65.24 2ekj s SER 2 CO 0.00 -0.37 1.65 -1.20 1.20 0.00 0.00 173.24 174.51 2ekj n SER 3 N 1.08 6.42 0.00 5.45 7.64 -1.26 -5.05 113.62 127.89 2ekj n SER 3 Ca -0.13 -3.78 0.00 0.00 1.01 0.00 0.00 58.87 55.98 2ekj n SER 3 Cb 0.57 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 63.05 2ekj n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ekj n GLY 4 N -0.74 -0.92 2.92 0.23 0.00 -1.26 -4.79 105.19 100.62 2ekj n GLY 4 Ca 0.53 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.07 4.67 0.11 1.61 0.15 -1.26 -4.93 113.70 111.98 2ekj s SER 5 Ca 0.00 -3.56 -0.17 0.00 0.70 0.00 0.00 55.95 52.92 2ekj s SER 5 Cb 0.00 -1.64 -0.05 0.00 -1.71 0.00 0.00 66.02 62.62 2ekj s SER 5 CO 0.00 -0.14 1.60 0.28 1.20 0.00 0.00 173.24 176.18 2ekj h SER 6 N 5.80 0.48 -3.08 5.45 0.02 -2.06 -3.49 113.55 116.67 2ekj h SER 6 Ca 0.07 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 2ekj h SER 6 Cb 0.80 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2ekj h SER 6 CO 0.71 0.60 0.00 0.61 -1.14 0.00 0.00 176.83 177.61 2ekj n GLY 7 N -0.53 -1.59 3.62 -3.77 0.00 -1.26 -4.92 105.19 96.74 2ekj n GLY 7 Ca -0.02 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 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 -5.53 2.77 -0.07 1.61 0.52 -1.26 -4.81 118.95 112.18 2ekj s ARG 8 Ca 0.00 -0.56 -0.03 0.00 -0.52 0.00 0.00 55.73 54.62 2ekj s ARG 8 Cb 0.00 -2.63 0.04 0.00 0.52 0.00 0.00 34.95 32.88 2ekj s ARG 8 CO 0.00 0.66 0.14 0.45 0.02 0.00 0.00 175.30 176.57 2ekj s SER 9 N -1.05 0.75 0.82 0.23 0.15 -1.26 -4.98 113.70 108.36 2ekj s SER 9 Ca 0.14 0.28 -0.11 0.00 0.70 0.00 0.00 55.95 56.97 2ekj s SER 9 Cb -0.11 0.19 0.08 0.00 -1.71 0.00 0.00 66.02 64.47 2ekj s SER 9 CO 0.04 -0.24 1.09 -2.16 1.20 0.00 0.00 173.24 173.17 2ekj s PRO 10 N 2.18 1.90 0.11 5.44 0.04 -1.26 -4.68 135.00 138.73 2ekj s PRO 10 Ca 0.02 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 61.80 2ekj s PRO 10 Cb -0.12 -1.87 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 2ekj s PRO 10 CO -0.05 -1.85 1.36 -1.25 0.04 0.00 0.00 177.00 175.24 2ekj s PRO 11 N -4.92 4.34 0.51 0.56 0.04 -1.26 -4.83 135.00 129.44 2ekj s PRO 11 Ca 0.62 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.70 2ekj s PRO 11 Cb -0.17 -3.26 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 2ekj s PRO 11 CO 0.56 -0.40 0.01 -1.12 0.04 0.00 0.00 177.00 176.10 2ekj s SER 12 N 1.04 4.13 -1.16 6.66 0.01 -1.24 -4.78 113.70 118.36 2ekj s SER 12 Ca 0.63 -1.64 -0.05 0.00 1.31 0.00 0.00 55.95 56.21 2ekj s SER 12 Cb -0.36 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.36 2ekj s SER 12 CO 0.31 -0.84 0.63 0.59 0.41 0.00 0.00 173.24 174.33 2ekj n ASN 13 N -1.26 -5.22 -4.72 2.44 3.02 -1.26 -1.45 115.26 106.79 2ekj n ASN 13 Ca -0.18 -0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 53.66 2ekj n ASN 13 Cb 0.67 -3.99 -0.03 0.00 -0.61 0.00 0.00 39.78 35.82 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 -5.50 4.37 -0.32 3.41 1.43 -1.26 -4.49 118.68 116.32 2ekj s LEU 14 Ca 0.31 2.88 -0.01 0.00 -1.03 0.00 0.00 54.13 56.28 2ekj s LEU 14 Cb -0.14 -3.60 0.11 0.00 0.03 0.00 0.00 46.19 42.59 2ekj s LEU 14 CO 0.38 -0.97 0.13 0.00 0.23 0.00 0.00 176.35 176.12 2ekj s ALA 15 N 1.09 1.26 -0.34 4.21 0.00 -1.02 -5.03 121.76 121.93 2ekj s ALA 15 Ca 0.74 -1.61 -0.24 0.00 0.00 0.00 0.00 51.96 50.85 2ekj s ALA 15 Cb -0.50 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.05 2ekj s ALA 15 CO 0.33 -1.75 0.84 -0.51 0.00 0.00 0.00 175.76 174.67 2ekj s LEU 16 N 1.58 4.07 -0.09 0.00 1.02 -1.26 -3.04 118.68 120.96 2ekj s LEU 16 Ca 0.11 0.59 0.02 0.00 0.02 0.00 0.00 54.13 54.87 2ekj s LEU 16 Cb -0.18 -3.14 -0.02 0.00 0.02 0.00 0.00 46.19 42.87 2ekj s LEU 16 CO -0.23 -0.72 -0.13 0.00 0.02 0.00 0.00 176.35 175.29 2ekj s ALA 17 N 3.15 2.67 -0.31 4.21 0.00 0.93 -4.89 121.76 127.53 2ekj s ALA 17 Ca 0.34 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 51.32 2ekj s ALA 17 Cb -0.13 -1.11 0.03 0.00 0.00 0.00 0.00 23.12 21.91 2ekj s ALA 17 CO 0.15 0.41 0.06 0.45 0.00 0.00 0.00 175.76 176.83 2ekj s SER 18 N -0.24 5.04 -0.12 0.00 0.15 -1.26 0.11 113.70 117.38 2ekj s SER 18 Ca 0.01 -0.98 0.09 0.00 0.70 0.00 0.00 55.95 55.77 2ekj s SER 18 Cb -0.13 -1.82 -0.14 0.00 -1.71 0.00 0.00 66.02 62.22 2ekj s SER 18 CO 0.03 -0.24 0.01 -0.62 1.20 0.00 0.00 173.24 173.61 2ekj n GLU 19 N 4.78 1.73 -4.06 5.44 -0.58 -1.26 -4.75 120.64 121.94 2ekj n GLU 19 Ca -0.14 0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.48 2ekj n GLU 19 Cb 0.46 -1.31 -0.12 0.00 -0.57 0.00 0.00 31.44 29.90 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 -2.29 0.41 -2.00 2.62 -1.32 -1.23 -5.00 115.64 106.83 2ekj s THR 20 Ca -0.09 -0.78 0.11 0.00 -1.21 0.00 0.00 61.69 59.72 2ekj s THR 20 Cb 0.04 -0.45 0.31 0.00 -1.51 0.00 0.00 72.50 70.89 2ekj s THR 20 CO 0.46 -0.26 1.09 -0.81 -2.21 0.00 0.00 174.62 172.89 2ekj n PRO 21 N 1.94 0.49 0.00 7.08 -0.04 -1.26 -1.73 135.00 141.48 2ekj n PRO 21 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2ekj n PRO 21 Cb 0.56 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 2ekj n PRO 21 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ekj n ASP 22 N -0.85 1.07 -3.61 3.54 2.03 -1.26 -2.50 116.55 114.98 2ekj n ASP 22 Ca 0.08 -1.17 -0.15 0.00 0.52 0.00 0.00 54.79 54.07 2ekj n ASP 22 Cb 0.04 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.37 2ekj n ASP 22 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ekj s SER 23 N -0.17 -0.44 -0.11 1.67 0.01 -0.71 0.15 113.70 114.10 2ekj s SER 23 Ca 0.00 0.33 -0.03 0.00 1.31 0.00 0.00 55.95 57.57 2ekj s SER 23 Cb 0.00 0.46 0.04 0.00 0.21 0.00 0.00 66.02 66.73 2ekj s SER 23 CO 0.00 -0.60 0.05 -0.22 0.41 0.00 0.00 173.24 172.88 2ekj s LEU 24 N -1.52 0.49 0.35 2.44 2.96 -1.00 -3.52 118.68 118.88 2ekj s LEU 24 Ca -0.10 -0.31 -0.28 0.00 -0.22 0.00 0.00 54.13 53.23 2ekj s LEU 24 Cb -0.02 -0.33 -0.10 0.00 0.50 0.00 0.00 46.19 46.25 2ekj s LEU 24 CO 0.04 -0.27 1.26 -1.58 -1.32 0.00 0.00 176.35 174.48 2ekj s GLN 25 N 2.06 4.29 -0.18 1.98 2.00 0.30 -1.81 119.66 128.30 2ekj s GLN 25 Ca 0.03 2.10 -0.04 0.00 -2.00 0.00 0.00 55.36 55.45 2ekj s GLN 25 Cb -0.14 -2.99 0.09 0.00 0.80 0.00 0.00 33.01 30.77 2ekj s GLN 25 CO -0.06 -0.20 0.28 0.54 -0.50 0.00 0.00 175.29 175.35 2ekj s VAL 26 N -1.20 -0.44 0.38 1.34 0.11 0.12 -0.05 120.40 120.67 2ekj s VAL 26 Ca 0.51 0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.70 2ekj s VAL 26 Cb -0.37 -0.60 -0.07 0.00 -1.53 0.00 0.00 36.38 33.80 2ekj s VAL 26 CO 0.49 -0.03 0.03 -0.44 -3.33 0.00 0.00 175.10 171.82 2ekj s SER 27 N 2.43 3.36 0.22 3.54 0.01 -1.17 -0.33 113.70 121.76 2ekj s SER 27 Ca 0.05 -1.37 -0.22 0.00 1.31 0.00 0.00 55.95 55.72 2ekj s SER 27 Cb -0.14 -0.29 0.06 0.00 0.21 0.00 0.00 66.02 65.86 2ekj s SER 27 CO -0.11 -0.50 0.93 -1.66 0.41 0.00 0.00 173.24 172.30 2ekj s TRP 28 N -2.91 -0.03 -0.27 2.43 -2.14 -0.25 -2.43 118.94 113.34 2ekj s TRP 28 Ca 0.36 -0.38 -0.08 0.00 2.66 0.00 0.00 56.10 58.65 2ekj s TRP 28 Cb 0.10 0.70 -0.02 0.00 -3.10 0.00 0.00 33.47 31.14 2ekj s TRP 28 CO 0.17 -1.03 0.10 0.99 -2.66 0.00 0.00 176.95 174.52 2ekj s THR 29 N -2.86 4.44 0.37 0.66 2.01 -0.53 -4.70 115.64 115.03 2ekj s THR 29 Ca 0.16 -0.21 -0.27 0.00 0.31 0.00 0.00 61.69 61.68 2ekj s THR 29 Cb -0.03 -3.13 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 2ekj s THR 29 CO 0.05 0.27 1.20 -2.16 -0.69 0.00 0.00 174.62 173.29 2ekj s PRO 30 N 1.62 4.19 0.00 4.92 0.04 -1.26 -3.65 135.00 140.86 2ekj s PRO 30 Ca 0.06 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2ekj s PRO 30 Cb -0.16 -2.84 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2ekj s PRO 30 CO 0.05 -0.23 0.00 -0.35 0.04 0.00 0.00 177.00 176.50 2ekj n PRO 31 N 0.39 -0.72 -0.00 0.56 -0.04 -1.26 -4.99 135.00 128.93 2ekj n PRO 31 Ca 0.03 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.48 2ekj n PRO 31 Cb 0.45 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.80 2ekj n PRO 31 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2ekj n LEU 32 N 0.00 0.57 -4.79 1.53 -0.00 -1.26 -4.94 117.00 108.11 2ekj n LEU 32 Ca 0.00 0.25 -0.35 0.00 -0.00 0.00 0.00 56.01 55.91 2ekj n LEU 32 Cb 0.00 0.15 -0.02 0.00 -0.00 0.00 0.00 43.42 43.55 2ekj n LEU 32 CO 0.00 0.20 0.75 -0.83 -0.00 0.00 0.00 177.39 177.51 2ekj s GLY 33 N -4.90 2.59 -0.32 1.47 0.00 -1.26 -4.94 107.32 99.96 2ekj s GLY 33 Ca -0.05 0.72 -0.28 0.00 0.00 0.00 0.00 44.72 45.10 2ekj s GLY 33 CO 0.83 1.06 1.80 -1.60 0.00 0.00 0.00 173.10 175.20 2ekj s ARG 34 N -3.19 3.36 -0.27 2.90 3.00 -1.26 -4.97 118.95 118.52 2ekj s ARG 34 Ca 0.69 1.47 -0.10 0.00 -1.00 0.00 0.00 55.73 56.79 2ekj s ARG 34 Cb -0.20 -4.19 -0.04 0.00 0.00 0.00 0.00 34.95 30.51 2ekj s ARG 34 CO 0.24 -1.83 0.16 0.08 0.00 0.00 0.00 175.30 173.95 2ekj s VAL 35 N 6.83 5.07 0.01 7.11 1.01 -1.26 -4.68 120.40 134.49 2ekj s VAL 35 Ca 0.80 0.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.78 2ekj s VAL 35 Cb -0.23 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 2ekj s VAL 35 CO 0.34 0.27 0.97 -0.07 0.00 0.00 0.00 175.10 176.61 2ekj h LEU 36 N 8.33 -0.28 -8.20 3.92 3.38 -1.80 -3.40 115.31 117.26 2ekj h LEU 36 Ca -0.36 0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.36 2ekj h LEU 36 Cb 1.19 0.07 -0.20 0.00 0.09 0.00 0.00 40.66 41.81 2ekj h LEU 36 CO 0.56 -0.17 -0.73 -1.38 0.09 0.00 0.00 178.44 176.81 2ekj s HIS 37 N -3.41 0.67 -0.60 1.13 -3.43 -1.26 -2.83 115.29 105.56 2ekj s HIS 37 Ca -0.05 -0.57 -0.16 0.00 -0.80 0.00 0.00 55.06 53.48 2ekj s HIS 37 Cb 0.00 -0.40 0.15 0.00 -1.43 0.00 0.00 32.58 30.90 2ekj s HIS 37 CO 0.14 -0.11 0.57 0.71 -2.00 0.00 0.00 174.74 174.06 2ekj s TYR 38 N -1.76 3.35 -0.62 0.38 2.02 0.51 -2.66 117.35 118.57 2ekj s TYR 38 Ca -0.07 -1.42 -0.27 0.00 -0.37 0.00 0.00 57.07 54.94 2ekj s TYR 38 Cb -0.07 -3.82 -0.02 0.00 -0.40 0.00 0.00 41.96 37.65 2ekj s TYR 38 CO -0.01 -1.03 1.84 -0.46 -1.57 0.00 0.00 175.55 174.32 2ekj s TRP 39 N 1.35 1.68 -0.12 2.71 -0.00 -0.91 -2.73 118.94 120.92 2ekj s TRP 39 Ca 0.07 0.75 -0.13 0.00 -0.00 0.00 0.00 56.10 56.79 2ekj s TRP 39 Cb -0.25 -4.11 -0.05 0.00 -0.00 0.00 0.00 33.47 29.06 2ekj s TRP 39 CO 0.01 -2.30 0.29 -1.17 -0.00 0.00 0.00 176.95 173.78 2ekj s LEU 40 N 8.95 4.31 -0.25 5.86 0.20 -1.05 -2.11 118.68 134.59 2ekj s LEU 40 Ca 0.66 0.58 -0.03 0.00 0.69 0.00 0.00 54.13 56.03 2ekj s LEU 40 Cb -0.12 -2.36 0.08 0.00 -0.43 0.00 0.00 46.19 43.36 2ekj s LEU 40 CO 0.20 0.19 0.09 0.42 -0.29 0.00 0.00 176.35 176.96 2ekj s THR 41 N -0.06 0.40 0.39 3.68 -4.23 0.14 -0.26 115.64 115.70 2ekj s THR 41 Ca 0.17 -0.83 0.04 0.00 -1.18 0.00 0.00 61.69 59.90 2ekj s THR 41 Cb -0.13 -1.16 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 2ekj s THR 41 CO 0.06 -0.50 0.56 -0.72 -0.54 0.00 0.00 174.62 173.48 2ekj s TYR 42 N 1.88 3.17 0.22 3.99 1.13 -1.20 0.14 117.35 126.68 2ekj s TYR 42 Ca 0.05 -0.01 -0.23 0.00 -1.41 0.00 0.00 57.07 55.48 2ekj s TYR 42 Cb -0.17 -2.14 0.04 0.00 -1.10 0.00 0.00 41.96 38.59 2ekj s TYR 42 CO -0.21 -0.17 0.79 0.00 -2.51 0.00 0.00 175.55 173.45 2ekj s ALA 43 N -2.35 -1.40 -2.00 9.51 0.00 -0.78 -2.53 121.76 122.21 2ekj s ALA 43 Ca 0.46 -0.08 0.10 0.00 0.00 0.00 0.00 51.96 52.45 2ekj s ALA 43 Cb -0.10 0.77 0.61 0.00 0.00 0.00 0.00 23.12 24.40 2ekj s ALA 43 CO 0.34 -1.01 1.04 -0.35 0.00 0.00 0.00 175.76 175.79 2ekj n PRO 44 N -0.45 0.49 -2.14 0.00 -0.04 -1.26 -0.66 135.00 130.93 2ekj n PRO 44 Ca -0.06 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.22 2ekj n PRO 44 Cb 0.60 -1.32 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 2ekj n PRO 44 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ekj n ALA 45 N -0.82 -0.47 -3.59 0.55 0.00 -1.26 -4.71 120.51 110.19 2ekj n ALA 45 Ca 0.08 0.19 -0.09 0.00 0.00 0.00 0.00 53.44 53.61 2ekj n ALA 45 Cb 0.03 -1.96 -0.05 0.00 0.00 0.00 0.00 19.45 17.48 2ekj n ALA 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ekj s SER 46 N -2.33 -0.30 -0.71 0.00 0.15 -1.26 -4.94 113.70 104.31 2ekj s SER 46 Ca 0.00 0.35 -0.21 0.00 0.70 0.00 0.00 55.95 56.79 2ekj s SER 46 Cb 0.00 0.27 -0.17 0.00 -1.71 0.00 0.00 66.02 64.42 2ekj s SER 46 CO 0.00 -0.27 1.90 0.61 1.20 0.00 0.00 173.24 176.68 2ekj n GLY 47 N 0.77 2.43 1.04 9.45 0.00 -1.26 -4.07 105.19 113.55 2ekj n GLY 47 Ca -0.08 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 7.29 0.28 -4.78 0.99 4.77 -1.26 -5.11 117.00 119.17 2ekj n LEU 48 Ca 0.48 0.04 -0.34 0.00 -0.03 0.00 0.00 56.01 56.16 2ekj n LEU 48 Cb 0.38 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.31 2ekj n LEU 48 CO 1.02 -0.21 -0.25 -0.83 -1.33 0.00 0.00 177.39 175.79 2ekj s GLY 49 N -4.75 3.09 0.95 -0.72 0.00 -1.26 -5.14 107.32 99.49 2ekj s GLY 49 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 44.72 44.47 2ekj s GLY 49 CO 0.00 -2.21 1.09 2.56 0.00 0.00 0.00 173.10 174.54 2ekj s PRO 50 N -3.90 0.84 -0.11 2.90 0.04 -1.26 -4.90 135.00 128.61 2ekj s PRO 50 Ca 0.02 0.67 -0.08 0.00 0.04 0.00 0.00 61.00 61.65 2ekj s PRO 50 Cb 0.01 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 2ekj s PRO 50 CO 0.01 -2.49 0.17 -2.00 0.04 0.00 0.00 177.00 172.73 2ekj s GLU 51 N -4.95 3.52 0.47 4.56 2.56 -1.26 -4.74 118.70 118.86 2ekj s GLU 51 Ca 0.64 -0.07 0.07 0.00 0.00 0.00 0.00 54.97 55.61 2ekj s GLU 51 Cb -0.18 -3.20 0.01 0.00 2.00 0.00 0.00 34.13 32.75 2ekj s GLU 51 CO 0.57 0.75 0.41 0.15 -0.56 0.00 0.00 175.26 176.58 2ekj s LYS 52 N -0.98 2.40 -0.30 4.30 -0.14 -1.05 -5.05 119.74 118.92 2ekj s LYS 52 Ca 0.16 -1.72 -0.06 0.00 -1.36 0.00 0.00 55.97 52.98 2ekj s LYS 52 Cb -0.12 -2.28 0.16 0.00 -1.68 0.00 0.00 37.83 33.90 2ekj s LYS 52 CO 0.05 -0.39 0.66 -1.54 -0.76 0.00 0.00 175.35 173.37 2ekj s SER 53 N -4.21 -1.20 -0.17 2.83 1.04 -1.26 -3.27 113.70 107.45 2ekj s SER 53 Ca 0.44 1.18 -0.04 0.00 0.48 0.00 0.00 55.95 58.01 2ekj s SER 53 Cb -0.03 2.18 -0.02 0.00 0.10 0.00 0.00 66.02 68.25 2ekj s SER 53 CO 0.26 -0.23 -0.03 0.68 0.98 0.00 0.00 173.24 174.91 2ekj s VAL 54 N 2.86 3.83 0.26 5.02 -7.23 0.64 -4.97 120.40 120.81 2ekj s VAL 54 Ca 0.06 -0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 59.57 2ekj s VAL 54 Cb -0.13 -2.70 -0.09 0.00 0.56 0.00 0.00 36.38 34.02 2ekj s VAL 54 CO -0.19 0.47 1.05 -0.55 -0.31 0.00 0.00 175.10 175.56 2ekj s SER 55 N 0.65 7.39 -0.02 4.85 0.15 -1.26 -2.52 113.70 122.93 2ekj s SER 55 Ca -0.02 2.16 0.02 0.00 0.70 0.00 0.00 55.95 58.81 2ekj s SER 55 Cb -0.14 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 2ekj s SER 55 CO 0.02 -0.05 -0.06 -0.69 1.20 0.00 0.00 173.24 173.66 2ekj s VAL 56 N -1.11 0.56 -0.13 4.45 1.01 -1.10 -4.97 120.40 119.10 2ekj s VAL 56 Ca 0.44 -0.25 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2ekj s VAL 56 Cb -0.30 -0.50 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2ekj s VAL 56 CO 0.38 0.18 1.55 -2.16 0.00 0.00 0.00 175.10 175.05 2ekj s PRO 57 N 0.17 4.07 0.55 2.72 0.04 -1.26 -0.36 135.00 140.92 2ekj s PRO 57 Ca -0.02 1.89 0.46 0.00 0.04 0.00 0.00 61.00 63.37 2ekj s PRO 57 Cb -0.07 -3.95 1.67 0.00 0.04 0.00 0.00 34.50 32.20 2ekj s PRO 57 CO -0.00 -0.96 1.64 0.78 0.04 0.00 0.00 177.00 178.50 2ekj h GLY 58 N 10.59 0.10 -0.33 0.56 0.00 -1.74 0.18 103.07 112.42 2ekj h GLY 58 Ca -0.34 -0.01 0.21 0.00 0.00 0.00 0.00 47.33 47.18 2ekj h GLY 58 CO 0.97 -0.03 0.20 0.00 0.00 0.00 0.00 176.54 177.68 2ekj h ALA 59 N 1.15 1.14 -3.24 3.60 0.00 -1.84 -3.40 119.26 116.67 2ekj h ALA 59 Ca 0.84 0.21 -0.64 0.00 0.00 0.00 0.00 54.91 55.32 2ekj h ALA 59 Cb 3.31 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 21.29 2ekj h ALA 59 CO -0.04 -0.42 -0.64 -0.98 0.00 0.00 0.00 179.25 177.17 2ekj s ARG 60 N -5.99 2.66 -0.22 0.00 1.70 0.62 -5.02 118.95 112.69 2ekj s ARG 60 Ca -0.12 -0.81 0.12 0.00 -0.47 0.00 0.00 55.73 54.45 2ekj s ARG 60 Cb 0.24 -2.59 0.45 0.00 -0.57 0.00 0.00 34.95 32.48 2ekj s ARG 60 CO 0.77 0.54 1.33 -1.13 -1.08 0.00 0.00 175.30 175.73 2ekj n SER 61 N 0.44 2.43 -3.90 -2.89 3.41 -1.26 -4.71 113.62 107.14 2ekj n SER 61 Ca -0.10 -3.59 -0.11 0.00 -0.26 0.00 0.00 58.87 54.81 2ekj n SER 61 Cb 0.52 -0.56 -0.12 0.00 -0.26 0.00 0.00 64.21 63.79 2ekj n SER 61 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2ekj s HIS 62 N -3.12 0.06 0.24 7.33 3.76 -1.26 -1.08 115.29 121.22 2ekj s HIS 62 Ca 0.40 -0.13 -0.22 0.00 -0.15 0.00 0.00 55.06 54.97 2ekj s HIS 62 Cb 0.36 -0.06 0.03 0.00 1.11 0.00 0.00 32.58 34.03 2ekj s HIS 62 CO -0.00 -0.10 0.73 0.54 -0.85 0.00 0.00 174.74 175.06 2ekj s VAL 63 N -0.59 0.00 0.02 -0.90 0.11 0.55 -4.99 120.40 114.61 2ekj s VAL 63 Ca -0.06 -0.79 0.03 0.00 -2.93 0.00 0.00 61.98 58.22 2ekj s VAL 63 Cb -0.04 -1.83 -0.02 0.00 -1.53 0.00 0.00 36.38 32.96 2ekj s VAL 63 CO -0.00 0.00 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.78 2ekj s THR 64 N -3.81 0.79 -0.62 5.04 2.01 -1.26 0.15 115.64 117.95 2ekj s THR 64 Ca 0.10 -0.78 -0.12 0.00 0.31 0.00 0.00 61.69 61.20 2ekj s THR 64 Cb -0.05 -0.73 0.16 0.00 0.01 0.00 0.00 72.50 71.89 2ekj s THR 64 CO 0.03 -0.03 0.54 -0.76 -0.69 0.00 0.00 174.62 173.71 2ekj s LEU 65 N -0.90 6.14 1.25 4.42 1.43 -0.75 -4.91 118.68 125.36 2ekj s LEU 65 Ca -0.01 -2.22 -0.21 0.00 -1.03 0.00 0.00 54.13 50.67 2ekj s LEU 65 Cb -0.07 -2.12 0.31 0.00 0.03 0.00 0.00 46.19 44.34 2ekj s LEU 65 CO 0.01 -0.68 1.12 -2.16 0.23 0.00 0.00 176.35 174.86 2ekj s PRO 66 N 0.92 -1.61 -1.24 1.29 0.04 -1.26 -2.38 135.00 130.75 2ekj s PRO 66 Ca 0.10 -0.21 -0.10 0.00 0.04 0.00 0.00 61.00 60.83 2ekj s PRO 66 Cb -0.22 -1.56 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 2ekj s PRO 66 CO -0.02 -3.94 0.68 -3.47 0.04 0.00 0.00 177.00 170.28 2ekj n ASP 67 N -4.89 -3.06 -3.87 6.66 2.03 0.39 -4.78 116.55 109.02 2ekj n ASP 67 Ca 0.15 -0.95 -0.18 0.00 0.52 0.00 0.00 54.79 54.34 2ekj n ASP 67 Cb 0.60 -3.55 -0.00 0.00 -0.72 0.00 0.00 41.12 37.45 2ekj n ASP 67 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2ekj n LEU 68 N -4.21 0.00 0.00 -2.67 4.77 0.14 -4.94 117.00 110.08 2ekj n LEU 68 Ca -0.20 -1.91 -0.15 0.00 -0.03 0.00 0.00 56.01 53.72 2ekj n LEU 68 Cb 0.64 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 2ekj n LEU 68 CO 0.69 -0.47 -0.03 0.00 -1.33 0.00 0.00 177.39 176.25 2ekj n GLN 69 N -1.33 1.18 -4.19 3.23 1.13 -1.04 -3.99 117.38 112.37 2ekj n GLN 69 Ca -0.02 -1.87 -0.30 0.00 -1.94 0.00 0.00 57.00 52.88 2ekj n GLN 69 Cb 0.42 0.33 -0.09 0.00 0.11 0.00 0.00 30.24 31.00 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 -2.43 3.07 -1.30 -1.58 0.00 -1.22 -4.38 121.76 113.92 2ekj s ALA 70 Ca 0.10 -1.21 -0.05 0.00 0.00 0.00 0.00 51.96 50.80 2ekj s ALA 70 Cb -0.01 -0.99 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 2ekj s ALA 70 CO 0.06 0.66 0.63 0.00 0.00 0.00 0.00 175.76 177.11 2ekj n ALA 71 N 0.62 -2.14 -3.15 0.00 0.00 -0.57 -4.95 120.51 110.32 2ekj n ALA 71 Ca -0.12 -0.21 0.04 0.00 0.00 0.00 0.00 53.44 53.15 2ekj n ALA 71 Cb 0.52 -2.36 -0.01 0.00 0.00 0.00 0.00 19.45 17.60 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 -3.72 -0.87 1.24 0.00 2.01 -1.26 -4.89 115.64 108.15 2ekj s THR 72 Ca 0.11 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.95 2ekj s THR 72 Cb -0.04 -0.93 0.29 0.00 0.01 0.00 0.00 72.50 71.83 2ekj s THR 72 CO 0.85 0.00 0.80 2.29 -0.69 0.00 0.00 174.62 177.87 2ekj n LYS 73 N 5.40 -2.95 -3.44 4.92 0.00 -1.26 -3.58 118.16 117.24 2ekj n LYS 73 Ca 0.02 -0.85 -0.16 0.00 -0.00 0.00 0.00 58.31 57.33 2ekj n LYS 73 Cb 0.53 -2.01 -0.11 0.00 -0.00 0.00 0.00 35.03 33.43 2ekj n LYS 73 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2ekj s TYR 74 N -2.30 -0.45 -0.53 5.58 1.51 -1.26 -4.56 117.35 115.35 2ekj s TYR 74 Ca 0.66 0.35 -0.26 0.00 -1.01 0.00 0.00 57.07 56.81 2ekj s TYR 74 Cb -0.20 -0.27 -0.07 0.00 -0.11 0.00 0.00 41.96 41.31 2ekj s TYR 74 CO 0.63 -0.67 2.37 0.50 -1.11 0.00 0.00 175.55 177.28 2ekj s ARG 75 N 2.39 2.09 -0.47 -0.62 3.52 0.16 -3.98 118.95 122.04 2ekj s ARG 75 Ca 0.09 1.26 -0.24 0.00 -0.13 0.00 0.00 55.73 56.71 2ekj s ARG 75 Cb -0.15 -4.59 0.03 0.00 -1.56 0.00 0.00 34.95 28.67 2ekj s ARG 75 CO -0.15 -3.35 0.83 0.08 -0.81 0.00 0.00 175.30 171.90 2ekj s VAL 76 N 12.24 4.58 -0.40 7.11 1.01 0.29 -1.87 120.40 143.36 2ekj s VAL 76 Ca 0.95 0.44 -0.13 0.00 0.00 0.00 0.00 61.98 63.24 2ekj s VAL 76 Cb -0.16 -4.38 0.03 0.00 0.00 0.00 0.00 36.38 31.87 2ekj s VAL 76 CO 0.24 -0.80 0.27 -0.76 0.00 0.00 0.00 175.10 174.04 2ekj s LEU 77 N 3.46 4.99 -0.03 3.92 1.02 0.12 -2.82 118.68 129.34 2ekj s LEU 77 Ca 0.31 -1.01 -0.00 0.00 0.02 0.00 0.00 54.13 53.44 2ekj s LEU 77 Cb -0.12 -2.09 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 2ekj s LEU 77 CO 0.23 -0.45 0.02 -0.69 0.02 0.00 0.00 176.35 175.48 2ekj s VAL 78 N 1.61 4.33 -0.03 -1.59 1.01 -1.05 0.28 120.40 124.95 2ekj s VAL 78 Ca 0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 2ekj s VAL 78 Cb -0.20 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.31 2ekj s VAL 78 CO 0.08 0.46 0.07 -0.44 0.00 0.00 0.00 175.10 175.27 2ekj s SER 79 N -1.33 -0.01 -0.26 3.32 0.01 -0.89 -2.39 113.70 112.15 2ekj s SER 79 Ca 0.18 0.13 -0.25 0.00 1.31 0.00 0.00 55.95 57.32 2ekj s SER 79 Cb -0.12 0.04 -0.00 0.00 0.21 0.00 0.00 66.02 66.16 2ekj s SER 79 CO 0.08 -0.11 0.84 0.00 0.41 0.00 0.00 173.24 174.46 2ekj s ALA 80 N 0.85 3.62 -0.04 1.44 0.00 -1.26 -2.15 121.76 124.22 2ekj s ALA 80 Ca -0.07 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.52 2ekj s ALA 80 Cb -0.09 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 2ekj s ALA 80 CO -0.03 -1.02 0.53 0.42 0.00 0.00 0.00 175.76 175.65 2ekj s ILE 81 N 2.92 5.01 0.26 0.00 -1.09 -1.09 -1.17 121.20 126.05 2ekj s ILE 81 Ca 0.35 1.08 0.05 0.00 -2.23 0.00 0.00 60.65 59.90 2ekj s ILE 81 Cb -0.15 -3.86 -0.06 0.00 -1.58 0.00 0.00 42.46 36.82 2ekj s ILE 81 CO 0.09 0.42 -0.02 -0.31 -1.23 0.00 0.00 174.94 173.89 2ekj s TYR 82 N -0.13 1.77 0.20 3.97 2.02 0.31 -2.09 117.35 123.40 2ekj s TYR 82 Ca 0.28 -0.84 -0.15 0.00 -0.37 0.00 0.00 57.07 55.99 2ekj s TYR 82 Cb -0.17 -1.04 0.20 0.00 -0.40 0.00 0.00 41.96 40.55 2ekj s TYR 82 CO 0.14 0.09 1.63 0.00 -1.57 0.00 0.00 175.55 175.85 2ekj h ALA 83 N 2.34 0.34 0.04 3.71 0.00 -1.98 -2.38 119.26 121.33 2ekj h ALA 83 Ca -0.39 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ekj h ALA 83 Cb 1.23 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2ekj h ALA 83 CO 0.66 -0.46 -0.02 0.00 0.00 0.00 0.00 179.25 179.43 2ekj h ALA 84 N 1.52 -0.06 -1.67 0.00 0.00 -1.98 -3.49 119.26 113.57 2ekj h ALA 84 Ca 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ekj h ALA 84 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ekj h ALA 84 CO -0.62 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 178.78 2ekj n GLY 85 N 0.38 1.24 3.43 0.00 0.00 -0.90 -5.16 105.19 104.19 2ekj n GLY 85 Ca -0.09 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.74 2ekj n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ekj s ARG 86 N -1.63 2.56 1.26 1.61 1.70 -1.26 0.11 118.95 123.30 2ekj s ARG 86 Ca 0.00 -0.74 -0.19 0.00 -0.47 0.00 0.00 55.73 54.33 2ekj s ARG 86 Cb 0.00 -2.35 0.31 0.00 -0.57 0.00 0.00 34.95 32.33 2ekj s ARG 86 CO 0.00 0.55 1.05 -1.54 -1.08 0.00 0.00 175.30 174.28 2ekj s SER 87 N -0.56 0.41 1.13 -2.89 1.04 -0.31 -4.96 113.70 107.56 2ekj s SER 87 Ca 0.08 0.80 -0.13 0.00 0.48 0.00 0.00 55.95 57.17 2ekj s SER 87 Cb -0.11 -1.14 0.20 0.00 0.10 0.00 0.00 66.02 65.07 2ekj s SER 87 CO 0.01 -4.45 0.46 -1.84 0.98 0.00 0.00 173.24 168.40 2ekj n GLU 88 N -5.01 -2.76 -4.30 4.02 0.28 -1.26 -4.55 120.64 107.07 2ekj n GLU 88 Ca 0.12 -0.77 -0.33 0.00 -0.16 0.00 0.00 57.16 56.01 2ekj n GLU 88 Cb 0.59 -1.14 -0.16 0.00 1.43 0.00 0.00 31.44 32.16 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 -2.06 2.33 -0.23 -1.84 0.00 -1.26 -4.48 121.76 114.22 2ekj s ALA 89 Ca 0.35 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2ekj s ALA 89 Cb -0.06 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 2ekj s ALA 89 CO 0.30 -0.24 0.37 0.14 0.00 0.00 0.00 175.76 176.33 2ekj s VAL 90 N 1.13 5.20 0.44 0.00 -7.23 -1.01 -4.90 120.40 114.04 2ekj s VAL 90 Ca 0.01 0.63 -0.03 0.00 -1.81 0.00 0.00 61.98 60.77 2ekj s VAL 90 Cb -0.14 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.07 2ekj s VAL 90 CO -0.09 0.22 0.71 -0.94 -0.31 0.00 0.00 175.10 174.70 2ekj s SER 91 N 1.26 6.22 -0.30 4.85 1.04 -1.26 -2.52 113.70 122.99 2ekj s SER 91 Ca 0.17 0.74 -0.14 0.00 0.48 0.00 0.00 55.95 57.19 2ekj s SER 91 Cb -0.15 -2.12 0.17 0.00 0.10 0.00 0.00 66.02 64.01 2ekj s SER 91 CO 0.08 -0.52 0.97 0.00 0.98 0.00 0.00 173.24 174.76 2ekj s ALA 92 N -2.61 -2.72 -0.18 5.32 0.00 -1.13 -4.91 121.76 115.53 2ekj s ALA 92 Ca 0.45 2.01 -0.13 0.00 0.00 0.00 0.00 51.96 54.30 2ekj s ALA 92 Cb -0.10 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 2ekj s ALA 92 CO 0.42 -1.00 0.26 0.95 0.00 0.00 0.00 175.76 176.39 2ekj s THR 93 N 2.51 5.32 -0.42 0.00 -4.23 -1.26 -0.54 115.64 117.02 2ekj s THR 93 Ca -0.02 0.47 0.02 0.00 -1.18 0.00 0.00 61.69 60.98 2ekj s THR 93 Cb -0.07 -3.60 0.14 0.00 1.34 0.00 0.00 72.50 70.31 2ekj s THR 93 CO -0.17 0.38 0.23 -0.83 -0.54 0.00 0.00 174.62 173.68 2ekj s GLY 94 N 0.57 1.47 0.09 3.99 0.00 -1.26 -4.88 107.32 107.31 2ekj s GLY 94 Ca 0.14 -2.41 -0.35 0.00 0.00 0.00 0.00 44.72 42.11 2ekj s GLY 94 CO 0.03 1.67 0.84 -0.18 0.00 0.00 0.00 173.10 175.46 2ekj n GLN 95 N 3.68 0.06 -1.05 2.90 7.27 -1.26 -3.98 117.38 125.00 2ekj n GLN 95 Ca 0.09 0.02 -0.17 0.00 0.07 0.00 0.00 57.00 57.02 2ekj n GLN 95 Cb 0.35 -1.31 0.12 0.00 2.41 0.00 0.00 30.24 31.81 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 0.86 0.00 -2.95 1.69 -2.24 -1.24 -4.64 114.28 105.76 2ekj n THR 96 Ca 0.19 -0.54 -0.30 0.00 -2.27 0.00 0.00 64.05 61.13 2ekj n THR 96 Cb 0.16 -1.69 -0.03 0.00 -2.10 0.00 0.00 70.33 66.67 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 -3.93 3.39 -0.00 6.98 0.00 -1.26 -4.11 121.76 122.83 2ekj s ALA 97 Ca 0.42 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.15 2ekj s ALA 97 Cb -0.01 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 2ekj s ALA 97 CO 0.30 0.05 -0.00 0.00 0.00 0.00 0.00 175.76 176.11 2ekj h PRO 99 N 4.38 -0.04 -5.53 0.00 0.13 -1.95 -3.47 132.00 125.52 2ekj h PRO 99 Ca -0.49 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.26 2ekj h PRO 99 Cb 1.18 0.01 0.13 0.00 0.13 0.00 0.00 31.00 32.44 2ekj h PRO 99 CO 0.57 0.44 -0.64 0.45 -0.23 0.00 0.00 178.00 178.59 2ekj n SER 100 N -4.88 -6.17 -0.53 1.44 2.88 -1.26 -4.20 113.62 100.90 2ekj n SER 100 Ca -0.08 -0.50 0.06 0.00 -1.33 0.00 0.00 58.87 57.01 2ekj n SER 100 Cb 0.25 -4.81 -0.01 0.00 -0.75 0.00 0.00 64.21 58.89 2ekj n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ekj n GLY 101 N -1.92 -1.98 0.24 0.46 0.00 -1.26 -3.92 105.19 96.81 2ekj n GLY 101 Ca 0.00 -1.35 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 2ekj n GLY 101 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ekj h PRO 102 N 0.00 0.71 -0.96 1.61 0.13 -2.04 -3.20 132.00 128.25 2ekj h PRO 102 Ca 0.01 -0.37 0.30 0.00 -0.87 0.00 0.00 66.00 65.06 2ekj h PRO 102 Cb 0.38 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 31.35 2ekj h PRO 102 CO 0.00 0.99 0.25 0.77 -0.23 0.00 0.00 178.00 179.78 2ekj h SER 103 N 0.58 -0.08 -3.64 1.44 0.02 -1.91 -3.39 113.55 106.57 2ekj h SER 103 Ca 0.05 0.24 -0.67 0.00 -0.84 0.00 0.00 61.79 60.57 2ekj h SER 103 Cb 0.95 0.35 -0.21 0.00 0.14 0.00 0.00 62.40 63.63 2ekj h SER 103 CO 0.09 -0.30 -0.85 -0.55 -1.14 0.00 0.00 176.83 174.08 2ekj s SER 104 N -4.91 3.31 0.00 3.07 0.15 -1.21 -5.18 113.70 108.93 2ekj s SER 104 Ca -0.12 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.74 2ekj s SER 104 Cb 0.29 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2ekj s SER 104 CO 0.78 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.97