#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 6.24 0.10 1.61 0.01 -1.26 -5.11 113.70 115.29 2ekj s SER 2 Ca 0.00 0.32 0.04 0.00 1.31 0.00 0.00 55.95 57.61 2ekj s SER 2 Cb 0.00 -1.94 -0.04 0.00 0.21 0.00 0.00 66.02 64.26 2ekj s SER 2 CO 0.00 0.27 -0.10 -0.94 0.41 0.00 0.00 173.24 172.88 2ekj s SER 3 N -1.85 1.50 0.00 2.44 1.04 -1.26 -4.96 113.70 110.61 2ekj s SER 3 Ca 0.26 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.86 2ekj s SER 3 Cb -0.12 0.00 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2ekj s SER 3 CO 0.17 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 174.74 2ekj n GLY 4 N 0.49 -0.02 2.09 7.32 0.00 -1.26 -4.94 105.19 108.86 2ekj n GLY 4 Ca -0.15 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 2ekj n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ekj n SER 5 N 0.00 4.78 0.29 1.61 7.64 -1.26 -4.84 113.62 121.84 2ekj n SER 5 Ca 0.00 -3.68 -0.16 0.00 1.01 0.00 0.00 58.87 56.03 2ekj n SER 5 Cb 0.00 -0.36 -0.09 0.00 -1.01 0.00 0.00 64.21 62.76 2ekj n SER 5 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2ekj h SER 6 N 2.23 -0.59 0.00 6.43 4.64 -2.01 -3.47 113.55 120.78 2ekj h SER 6 Ca 0.34 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2ekj h SER 6 Cb 1.48 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 2ekj h SER 6 CO 0.75 -0.41 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 2ekj n GLY 7 N -1.35 -0.74 3.65 -0.77 0.00 -1.26 -5.11 105.19 99.61 2ekj n GLY 7 Ca -0.12 0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 2ekj n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ekj n ARG 8 N -2.52 2.72 -4.40 1.61 1.74 -1.26 -4.72 116.66 109.83 2ekj n ARG 8 Ca 0.00 0.97 -0.33 0.00 -0.77 0.00 0.00 57.85 57.71 2ekj n ARG 8 Cb 0.00 -3.05 -0.16 0.00 -1.02 0.00 0.00 32.46 28.23 2ekj n ARG 8 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ekj s SER 9 N 5.14 3.50 0.78 0.55 0.15 -1.26 -4.85 113.70 117.71 2ekj s SER 9 Ca 0.91 -0.53 -0.11 0.00 0.70 0.00 0.00 55.95 56.93 2ekj s SER 9 Cb -0.42 -1.54 0.06 0.00 -1.71 0.00 0.00 66.02 62.41 2ekj s SER 9 CO 0.41 0.05 1.09 -2.16 1.20 0.00 0.00 173.24 173.84 2ekj s PRO 10 N 0.99 2.22 0.05 5.44 0.04 -1.26 -4.71 135.00 137.76 2ekj s PRO 10 Ca -0.02 1.16 -0.31 0.00 0.04 0.00 0.00 61.00 61.87 2ekj s PRO 10 Cb -0.15 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 2ekj s PRO 10 CO -0.04 -1.67 1.41 -1.25 0.04 0.00 0.00 177.00 175.50 2ekj s PRO 11 N -4.90 4.29 0.52 0.56 0.04 -1.26 -4.85 135.00 129.40 2ekj s PRO 11 Ca 0.61 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.73 2ekj s PRO 11 Cb -0.17 -3.45 0.01 0.00 0.04 0.00 0.00 34.50 30.94 2ekj s PRO 11 CO 0.56 -0.53 0.26 -1.12 0.04 0.00 0.00 177.00 176.21 2ekj s SER 12 N 1.61 4.46 -1.32 6.66 0.01 -1.25 -4.75 113.70 119.13 2ekj s SER 12 Ca 0.65 -1.35 -0.05 0.00 1.31 0.00 0.00 55.95 56.51 2ekj s SER 12 Cb -0.34 0.35 0.02 0.00 0.21 0.00 0.00 66.02 66.25 2ekj s SER 12 CO 0.28 -0.97 0.99 0.59 0.41 0.00 0.00 173.24 174.55 2ekj n ASN 13 N -1.56 -3.50 -4.71 2.44 3.02 -1.26 -1.06 115.26 108.64 2ekj n ASN 13 Ca -0.07 -0.66 -0.42 0.00 -0.03 0.00 0.00 54.58 53.40 2ekj n ASN 13 Cb 0.65 -4.69 -0.03 0.00 -0.61 0.00 0.00 39.78 35.10 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 -6.84 4.37 -0.24 3.41 1.43 -1.26 -4.44 118.68 115.11 2ekj s LEU 14 Ca 0.27 2.63 -0.02 0.00 -1.03 0.00 0.00 54.13 55.97 2ekj s LEU 14 Cb -0.12 -3.58 0.08 0.00 0.03 0.00 0.00 46.19 42.59 2ekj s LEU 14 CO 0.76 -0.88 0.07 0.00 0.23 0.00 0.00 176.35 176.53 2ekj s ALA 15 N 1.75 1.08 -0.55 4.21 0.00 -1.14 -5.03 121.76 122.07 2ekj s ALA 15 Ca 0.73 -1.01 -0.20 0.00 0.00 0.00 0.00 51.96 51.48 2ekj s ALA 15 Cb -0.44 -1.33 0.07 0.00 0.00 0.00 0.00 23.12 21.42 2ekj s ALA 15 CO 0.32 -1.38 0.73 -0.51 0.00 0.00 0.00 175.76 174.92 2ekj s LEU 16 N 1.83 4.84 -0.14 0.00 1.02 -1.26 -2.44 118.68 122.54 2ekj s LEU 16 Ca 0.03 -0.93 -0.00 0.00 0.02 0.00 0.00 54.13 53.25 2ekj s LEU 16 Cb -0.17 -2.48 -0.01 0.00 0.02 0.00 0.00 46.19 43.55 2ekj s LEU 16 CO -0.17 -1.05 -0.12 0.00 0.02 0.00 0.00 176.35 175.03 2ekj s ALA 17 N 3.01 2.64 -0.18 4.21 0.00 0.40 -4.89 121.76 126.94 2ekj s ALA 17 Ca 0.18 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 2ekj s ALA 17 Cb -0.19 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 2ekj s ALA 17 CO 0.12 0.21 -0.01 -1.54 0.00 0.00 0.00 175.76 174.54 2ekj s SER 18 N 0.41 4.84 -0.06 0.00 1.04 -1.26 0.20 113.70 118.87 2ekj s SER 18 Ca -0.10 -0.16 0.17 0.00 0.48 0.00 0.00 55.95 56.34 2ekj s SER 18 Cb -0.16 -1.81 -0.26 0.00 0.10 0.00 0.00 66.02 63.89 2ekj s SER 18 CO 0.05 0.11 0.31 -0.62 0.98 0.00 0.00 173.24 174.07 2ekj n GLU 19 N 3.93 0.74 -3.91 4.02 1.02 -1.26 -4.82 120.64 120.35 2ekj n GLU 19 Ca -0.17 -0.12 -0.10 0.00 -0.02 0.00 0.00 57.16 56.74 2ekj n GLU 19 Cb 0.52 -1.43 -0.11 0.00 -0.02 0.00 0.00 31.44 30.40 2ekj n GLU 19 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 2ekj s THR 20 N -3.03 0.08 -1.70 2.62 -1.32 -1.26 -5.02 115.64 106.01 2ekj s THR 20 Ca -0.07 -0.65 0.15 0.00 -1.21 0.00 0.00 61.69 59.91 2ekj s THR 20 Cb 0.10 -0.29 0.35 0.00 -1.51 0.00 0.00 72.50 71.14 2ekj s THR 20 CO 0.73 -0.36 1.37 -0.81 -2.21 0.00 0.00 174.62 173.35 2ekj n PRO 21 N 1.83 0.34 0.00 7.08 -0.04 -1.26 -1.77 135.00 141.18 2ekj n PRO 21 Ca -0.21 0.08 0.06 0.00 -0.04 0.00 0.00 63.50 63.38 2ekj n PRO 21 Cb 0.56 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.15 1.68 -3.85 3.54 8.00 -1.24 -3.72 116.55 119.81 2ekj n ASP 22 Ca 0.09 -1.34 -0.10 0.00 0.71 0.00 0.00 54.79 54.16 2ekj n ASP 22 Cb 0.09 0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.35 2ekj n ASP 22 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2ekj s SER 23 N -1.19 0.01 -0.10 -2.24 0.15 -0.73 -0.31 113.70 109.29 2ekj s SER 23 Ca 0.12 -0.98 -0.04 0.00 0.70 0.00 0.00 55.95 55.74 2ekj s SER 23 Cb 0.09 0.62 0.05 0.00 -1.71 0.00 0.00 66.02 65.07 2ekj s SER 23 CO 0.21 -1.20 0.22 -0.22 1.20 0.00 0.00 173.24 173.44 2ekj s LEU 24 N -3.04 0.34 -0.04 3.45 2.96 -0.94 -4.05 118.68 117.36 2ekj s LEU 24 Ca 0.22 0.47 -0.15 0.00 -0.22 0.00 0.00 54.13 54.45 2ekj s LEU 24 Cb -0.01 0.61 -0.05 0.00 0.50 0.00 0.00 46.19 47.24 2ekj s LEU 24 CO 0.10 -0.18 0.41 -1.58 -1.32 0.00 0.00 176.35 173.79 2ekj s GLN 25 N 1.49 4.03 -0.05 1.98 0.74 0.53 -0.85 119.66 127.54 2ekj s GLN 25 Ca -0.07 0.39 -0.05 0.00 0.05 0.00 0.00 55.36 55.68 2ekj s GLN 25 Cb -0.11 -3.28 0.01 0.00 1.10 0.00 0.00 33.01 30.73 2ekj s GLN 25 CO -0.08 0.54 0.14 0.54 -0.55 0.00 0.00 175.29 175.88 2ekj s VAL 26 N -0.60 0.01 0.33 1.34 0.11 -0.75 0.15 120.40 120.99 2ekj s VAL 26 Ca 0.24 -0.09 0.08 0.00 -2.93 0.00 0.00 61.98 59.27 2ekj s VAL 26 Cb -0.16 -0.23 -0.03 0.00 -1.53 0.00 0.00 36.38 34.43 2ekj s VAL 26 CO 0.12 -0.05 0.27 -0.24 -3.33 0.00 0.00 175.10 171.87 2ekj n SER 27 N 2.82 -0.63 -3.67 3.54 2.88 -1.02 -0.66 113.62 116.88 2ekj n SER 27 Ca -0.14 -3.16 -0.01 0.00 -1.33 0.00 0.00 58.87 54.23 2ekj n SER 27 Cb 0.59 1.63 -0.01 0.00 -0.75 0.00 0.00 64.21 65.67 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 -3.33 -0.07 -0.35 0.66 -2.14 -0.04 -2.90 118.94 110.78 2ekj s TRP 28 Ca 0.39 -0.16 -0.18 0.00 2.66 0.00 0.00 56.10 58.80 2ekj s TRP 28 Cb 0.02 0.61 -0.00 0.00 -3.10 0.00 0.00 33.47 30.99 2ekj s TRP 28 CO 0.27 -0.61 0.52 0.99 -2.66 0.00 0.00 176.95 175.46 2ekj s THR 29 N -2.80 5.01 0.12 0.66 2.01 -0.22 -4.78 115.64 115.64 2ekj s THR 29 Ca 0.15 0.38 -0.31 0.00 0.31 0.00 0.00 61.69 62.21 2ekj s THR 29 Cb 0.01 -3.96 -0.08 0.00 0.01 0.00 0.00 72.50 68.48 2ekj s THR 29 CO 0.00 -0.20 1.35 -2.16 -0.69 0.00 0.00 174.62 172.92 2ekj s PRO 30 N 2.40 4.34 0.00 4.92 0.04 -1.26 -3.75 135.00 141.69 2ekj s PRO 30 Ca 0.19 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.26 2ekj s PRO 30 Cb -0.15 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.13 2ekj s PRO 30 CO 0.13 -0.39 0.00 -0.35 0.04 0.00 0.00 177.00 176.43 2ekj n PRO 31 N 3.77 -0.10 -0.13 0.56 -0.04 -1.26 -5.03 135.00 132.76 2ekj n PRO 31 Ca 0.10 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.37 2ekj n PRO 31 Cb 0.43 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.77 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 2.80 -4.42 1.53 -0.00 -1.26 -5.00 117.00 110.65 2ekj n LEU 32 Ca 0.00 -0.06 -0.37 0.00 -0.00 0.00 0.00 56.01 55.58 2ekj n LEU 32 Cb 0.00 -0.88 0.05 0.00 -0.00 0.00 0.00 43.42 42.59 2ekj n LEU 32 CO 0.00 0.87 -0.08 0.61 -0.00 0.00 0.00 177.39 178.79 2ekj n GLY 33 N 2.10 -1.85 3.56 1.47 0.00 -1.26 -4.77 105.19 104.44 2ekj n GLY 33 Ca -0.47 -0.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.33 2.65 -0.32 1.61 3.00 -1.26 -4.93 118.95 117.37 2ekj s ARG 34 Ca 0.64 -0.40 -0.21 0.00 -1.00 0.00 0.00 55.73 54.76 2ekj s ARG 34 Cb -0.39 -5.10 -0.00 0.00 0.00 0.00 0.00 34.95 29.46 2ekj s ARG 34 CO 0.59 -3.29 0.68 0.54 0.00 0.00 0.00 175.30 173.82 2ekj s VAL 35 N 9.62 4.88 0.01 7.11 0.11 -1.26 -4.40 120.40 136.47 2ekj s VAL 35 Ca 0.68 0.89 -0.07 0.00 -2.93 0.00 0.00 61.98 60.54 2ekj s VAL 35 Cb -0.06 -4.06 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 2ekj s VAL 35 CO -0.01 -0.22 1.11 -0.07 -3.33 0.00 0.00 175.10 172.58 2ekj h LEU 36 N 9.31 -0.24 -8.88 2.54 3.38 -1.28 -3.44 115.31 116.71 2ekj h LEU 36 Ca -0.26 0.01 -0.40 0.00 0.09 0.00 0.00 57.88 57.33 2ekj h LEU 36 Cb 1.11 0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 2ekj h LEU 36 CO 0.84 -0.15 -0.55 -1.38 0.09 0.00 0.00 178.44 177.28 2ekj s HIS 37 N -3.57 1.55 -0.40 1.13 -3.43 -1.25 -3.59 115.29 105.73 2ekj s HIS 37 Ca -0.04 -1.46 0.02 0.00 -0.80 0.00 0.00 55.06 52.79 2ekj s HIS 37 Cb 0.00 -0.75 0.11 0.00 -1.43 0.00 0.00 32.58 30.51 2ekj s HIS 37 CO 0.12 -0.65 0.14 0.71 -2.00 0.00 0.00 174.74 173.06 2ekj s TYR 38 N -3.67 3.60 -0.21 0.38 2.02 -0.69 -1.80 117.35 116.97 2ekj s TYR 38 Ca 0.38 -2.92 -0.29 0.00 -0.37 0.00 0.00 57.07 53.86 2ekj s TYR 38 Cb 0.05 -2.98 -0.03 0.00 -0.40 0.00 0.00 41.96 38.60 2ekj s TYR 38 CO 0.19 -0.91 1.76 -0.46 -1.57 0.00 0.00 175.55 174.56 2ekj s TRP 39 N 0.65 1.85 -0.12 2.71 -0.11 -0.81 -3.30 118.94 119.81 2ekj s TRP 39 Ca 0.12 0.45 -0.04 0.00 1.22 0.00 0.00 56.10 57.86 2ekj s TRP 39 Cb -0.21 -4.03 -0.03 0.00 -1.50 0.00 0.00 33.47 27.70 2ekj s TRP 39 CO -0.05 -3.36 0.02 -1.17 -4.62 0.00 0.00 176.95 167.76 2ekj s LEU 40 N 5.80 3.63 -0.37 5.86 0.20 -1.08 -1.99 118.68 130.72 2ekj s LEU 40 Ca 0.78 0.11 0.00 0.00 0.69 0.00 0.00 54.13 55.71 2ekj s LEU 40 Cb -0.27 -1.86 0.13 0.00 -0.43 0.00 0.00 46.19 43.76 2ekj s LEU 40 CO 0.32 0.31 0.19 0.42 -0.29 0.00 0.00 176.35 177.30 2ekj s THR 41 N -0.45 0.70 0.11 3.68 -4.23 -0.51 -0.70 115.64 114.24 2ekj s THR 41 Ca 0.09 -1.83 -0.13 0.00 -1.18 0.00 0.00 61.69 58.64 2ekj s THR 41 Cb -0.12 -1.51 -0.06 0.00 1.34 0.00 0.00 72.50 72.14 2ekj s THR 41 CO 0.02 -0.86 0.49 -0.72 -0.54 0.00 0.00 174.62 173.00 2ekj s TYR 42 N 1.05 3.62 0.06 3.99 -0.85 -1.19 -1.83 117.35 122.20 2ekj s TYR 42 Ca 0.15 0.98 -0.26 0.00 -0.52 0.00 0.00 57.07 57.41 2ekj s TYR 42 Cb -0.22 -2.30 0.09 0.00 0.38 0.00 0.00 41.96 39.91 2ekj s TYR 42 CO -0.09 0.49 0.75 0.00 -1.52 0.00 0.00 175.55 175.18 2ekj s ALA 43 N -1.39 -1.72 -0.65 9.51 0.00 -1.16 -2.49 121.76 123.86 2ekj s ALA 43 Ca 0.34 0.82 -0.26 0.00 0.00 0.00 0.00 51.96 52.86 2ekj s ALA 43 Cb -0.15 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 2ekj s ALA 43 CO 0.18 -0.69 1.87 -1.25 0.00 0.00 0.00 175.76 175.87 2ekj s PRO 44 N -3.22 2.61 0.25 0.00 0.04 -1.26 0.13 135.00 133.54 2ekj s PRO 44 Ca 0.02 0.51 -0.04 0.00 0.04 0.00 0.00 61.00 61.53 2ekj s PRO 44 Cb -0.01 -4.47 0.47 0.00 0.04 0.00 0.00 34.50 30.53 2ekj s PRO 44 CO -0.09 -2.82 1.32 0.00 0.04 0.00 0.00 177.00 175.45 2ekj n ALA 45 N 12.92 0.28 -0.35 8.56 0.00 -1.26 0.52 120.51 141.18 2ekj n ALA 45 Ca 0.23 0.92 0.07 0.00 0.00 0.00 0.00 53.44 54.66 2ekj n ALA 45 Cb 0.51 -0.59 0.15 0.00 0.00 0.00 0.00 19.45 19.52 2ekj n ALA 45 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ekj n SER 46 N -5.33 -0.33 -0.31 0.00 7.64 -1.26 -4.85 113.62 109.18 2ekj n SER 46 Ca 0.16 1.69 0.00 0.00 1.01 0.00 0.00 58.87 61.73 2ekj n SER 46 Cb 0.50 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2ekj n SER 46 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ekj n GLY 47 N -1.61 0.50 0.03 0.23 0.00 0.19 -5.02 105.19 99.50 2ekj n GLY 47 Ca 0.16 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.31 1.75 -3.96 0.99 -0.00 -1.26 -5.07 117.00 109.14 2ekj n LEU 48 Ca 0.00 -1.94 -0.12 0.00 -0.00 0.00 0.00 56.01 53.95 2ekj n LEU 48 Cb 0.16 -0.09 -0.02 0.00 -0.00 0.00 0.00 43.42 43.48 2ekj n LEU 48 CO 0.00 0.47 0.31 -0.83 -0.00 0.00 0.00 177.39 177.34 2ekj s GLY 49 N -1.26 0.91 1.16 1.47 0.00 -1.26 -5.15 107.32 103.20 2ekj s GLY 49 Ca 0.06 -1.12 -0.18 0.00 0.00 0.00 0.00 44.72 43.49 2ekj s GLY 49 CO 0.01 -0.67 1.11 2.56 0.00 0.00 0.00 173.10 176.11 2ekj s PRO 50 N -2.89 -0.91 0.41 2.90 0.04 -1.26 -4.88 135.00 128.41 2ekj s PRO 50 Ca 0.23 0.04 0.08 0.00 0.04 0.00 0.00 61.00 61.39 2ekj s PRO 50 Cb -0.02 -1.62 -0.00 0.00 0.04 0.00 0.00 34.50 32.89 2ekj s PRO 50 CO 0.15 -3.53 0.51 -2.00 0.04 0.00 0.00 177.00 172.17 2ekj s GLU 51 N -5.32 2.76 0.27 4.56 2.12 -1.26 -4.62 118.70 117.20 2ekj s GLU 51 Ca 0.70 -1.31 -0.03 0.00 0.36 0.00 0.00 54.97 54.69 2ekj s GLU 51 Cb -0.11 -2.65 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 2ekj s GLU 51 CO 0.56 -0.22 0.32 0.15 -0.54 0.00 0.00 175.26 175.53 2ekj s LYS 52 N -4.27 1.54 -0.25 4.30 -0.14 -1.04 -5.05 119.74 114.83 2ekj s LYS 52 Ca 0.52 -1.63 -0.26 0.00 -1.36 0.00 0.00 55.97 53.24 2ekj s LYS 52 Cb -0.08 0.37 0.10 0.00 -1.68 0.00 0.00 37.83 36.53 2ekj s LYS 52 CO 0.31 -0.59 0.87 -1.54 -0.76 0.00 0.00 175.35 173.65 2ekj s SER 53 N -3.18 -0.59 -0.03 2.83 1.04 -1.26 -3.17 113.70 109.34 2ekj s SER 53 Ca 0.33 1.08 0.01 0.00 0.48 0.00 0.00 55.95 57.85 2ekj s SER 53 Cb 0.03 1.07 0.02 0.00 0.10 0.00 0.00 66.02 67.24 2ekj s SER 53 CO 0.16 -0.24 -0.01 0.68 0.98 0.00 0.00 173.24 174.81 2ekj s VAL 54 N 0.11 0.21 0.53 5.02 -7.23 0.13 -4.98 120.40 114.19 2ekj s VAL 54 Ca 0.00 0.04 -0.19 0.00 -1.81 0.00 0.00 61.98 60.02 2ekj s VAL 54 Cb -0.04 -0.28 -0.06 0.00 0.56 0.00 0.00 36.38 36.55 2ekj s VAL 54 CO -0.01 0.14 1.09 -0.55 -0.31 0.00 0.00 175.10 175.46 2ekj s SER 55 N 0.84 5.91 -0.05 4.85 0.15 -1.26 -2.63 113.70 121.52 2ekj s SER 55 Ca -0.09 2.06 -0.02 0.00 0.70 0.00 0.00 55.95 58.61 2ekj s SER 55 Cb -0.12 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.66 2ekj s SER 55 CO -0.01 -1.08 0.10 -0.69 1.20 0.00 0.00 173.24 172.75 2ekj s VAL 56 N -1.91 -0.05 -0.09 4.45 1.01 -1.21 -4.95 120.40 117.64 2ekj s VAL 56 Ca 0.70 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 2ekj s VAL 56 Cb -0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 35.96 2ekj s VAL 56 CO 0.26 0.08 1.53 -2.16 0.00 0.00 0.00 175.10 174.80 2ekj s PRO 57 N 1.11 4.19 0.45 2.72 0.04 -1.26 -1.71 135.00 140.53 2ekj s PRO 57 Ca -0.09 2.00 0.30 0.00 0.04 0.00 0.00 61.00 63.25 2ekj s PRO 57 Cb -0.12 -3.92 1.40 0.00 0.04 0.00 0.00 34.50 31.91 2ekj s PRO 57 CO -0.05 -0.81 1.65 0.78 0.04 0.00 0.00 177.00 178.62 2ekj h GLY 58 N 10.10 1.12 -0.81 0.56 0.00 -1.85 0.11 103.07 112.30 2ekj h GLY 58 Ca -0.35 -0.11 0.33 0.00 0.00 0.00 0.00 47.33 47.20 2ekj h GLY 58 CO 0.96 -0.30 0.36 0.00 0.00 0.00 0.00 176.54 177.56 2ekj h ALA 59 N 1.55 1.73 -3.39 3.60 0.00 -1.90 -3.38 119.26 117.47 2ekj h ALA 59 Ca 0.78 0.27 -0.67 0.00 0.00 0.00 0.00 54.91 55.28 2ekj h ALA 59 Cb 2.46 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 20.48 2ekj h ALA 59 CO -0.35 -0.71 -0.65 -0.98 0.00 0.00 0.00 179.25 176.57 2ekj s ARG 60 N -5.74 2.77 -0.33 0.00 1.70 0.40 -5.01 118.95 112.74 2ekj s ARG 60 Ca -0.11 -0.61 0.09 0.00 -0.47 0.00 0.00 55.73 54.64 2ekj s ARG 60 Cb 0.31 -2.66 0.70 0.00 -0.57 0.00 0.00 34.95 32.73 2ekj s ARG 60 CO 0.78 0.63 1.76 -1.13 -1.08 0.00 0.00 175.30 176.26 2ekj n SER 61 N 1.48 4.37 -3.80 -2.89 3.41 -1.26 -4.73 113.62 110.20 2ekj n SER 61 Ca -0.15 -3.32 -0.10 0.00 -0.26 0.00 0.00 58.87 55.04 2ekj n SER 61 Cb 0.53 -0.73 -0.06 0.00 -0.26 0.00 0.00 64.21 63.69 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 -3.06 0.07 0.01 7.33 0.00 -1.26 -0.86 115.29 117.51 2ekj s HIS 62 Ca 0.53 -0.43 -0.28 0.00 -3.00 0.00 0.00 55.06 51.89 2ekj s HIS 62 Cb 0.44 0.13 0.09 0.00 -4.00 0.00 0.00 32.58 29.24 2ekj s HIS 62 CO 0.11 -0.73 0.76 0.54 -1.00 0.00 0.00 174.74 174.42 2ekj s VAL 63 N -3.88 0.00 -0.04 -5.38 0.11 0.17 -4.96 120.40 106.41 2ekj s VAL 63 Ca 0.09 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 2ekj s VAL 63 Cb 0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 2ekj s VAL 63 CO -0.06 0.00 -0.04 -0.89 -3.33 0.00 0.00 175.10 170.78 2ekj s THR 64 N -2.40 3.89 -0.56 5.04 2.01 -1.26 -1.82 115.64 120.54 2ekj s THR 64 Ca -0.02 -0.52 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 2ekj s THR 64 Cb -0.01 -2.65 0.15 0.00 0.01 0.00 0.00 72.50 70.00 2ekj s THR 64 CO -0.03 0.51 0.38 -0.76 -0.69 0.00 0.00 174.62 174.03 2ekj s LEU 65 N -1.10 5.26 1.06 4.42 1.43 -0.03 -4.93 118.68 124.78 2ekj s LEU 65 Ca 0.15 -2.61 -0.14 0.00 -1.03 0.00 0.00 54.13 50.50 2ekj s LEU 65 Cb -0.11 -1.85 0.22 0.00 0.03 0.00 0.00 46.19 44.47 2ekj s LEU 65 CO 0.05 -0.42 1.10 -2.16 0.23 0.00 0.00 176.35 175.14 2ekj s PRO 66 N 0.29 -0.04 -1.01 1.29 0.04 -1.26 -2.21 135.00 132.10 2ekj s PRO 66 Ca 0.14 0.36 -0.03 0.00 0.04 0.00 0.00 61.00 61.52 2ekj s PRO 66 Cb -0.21 -1.70 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2ekj s PRO 66 CO -0.04 -3.01 0.87 -0.25 0.04 0.00 0.00 177.00 174.61 2ekj n ASP 67 N -4.34 -4.13 -4.44 6.66 8.00 0.57 -4.87 116.55 114.00 2ekj n ASP 67 Ca 0.07 -0.60 -0.24 0.00 0.71 0.00 0.00 54.79 54.72 2ekj n ASP 67 Cb 0.58 -4.72 -0.11 0.00 -0.02 0.00 0.00 41.12 36.86 2ekj n ASP 67 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ekj s LEU 68 N -5.54 2.53 0.00 0.64 1.43 0.25 -4.96 118.68 113.02 2ekj s LEU 68 Ca 0.21 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.34 2ekj s LEU 68 Cb -0.03 -1.08 0.11 0.00 0.03 0.00 0.00 46.19 45.22 2ekj s LEU 68 CO 0.66 0.05 0.78 0.00 0.23 0.00 0.00 176.35 178.07 2ekj n GLN 69 N -0.27 0.08 -4.40 1.70 6.02 -1.25 -3.73 117.38 115.54 2ekj n GLN 69 Ca -0.08 -2.17 -0.31 0.00 -0.01 0.00 0.00 57.00 54.42 2ekj n GLN 69 Cb 0.59 -0.50 -0.10 0.00 1.02 0.00 0.00 30.24 31.24 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 -3.06 2.98 -1.26 -1.58 0.00 -1.24 -4.60 121.76 113.00 2ekj s ALA 70 Ca 0.52 -1.10 -0.06 0.00 0.00 0.00 0.00 51.96 51.32 2ekj s ALA 70 Cb -0.03 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.06 2ekj s ALA 70 CO 0.35 0.62 1.09 0.00 0.00 0.00 0.00 175.76 177.81 2ekj n ALA 71 N 1.26 -1.49 -2.93 0.00 0.00 -1.15 -4.91 120.51 111.29 2ekj n ALA 71 Ca -0.15 0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.43 2ekj n ALA 71 Cb 0.52 -4.37 -0.13 0.00 0.00 0.00 0.00 19.45 15.48 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 -3.32 0.04 0.65 0.00 2.01 -1.26 -4.91 115.64 108.85 2ekj s THR 72 Ca 0.38 -0.35 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 2ekj s THR 72 Cb -0.17 -0.12 0.02 0.00 0.01 0.00 0.00 72.50 72.24 2ekj s THR 72 CO 0.70 -0.19 0.98 -0.54 -0.69 0.00 0.00 174.62 174.88 2ekj s LYS 73 N -0.57 2.71 -0.28 4.92 3.01 -1.26 -0.76 119.74 127.52 2ekj s LYS 73 Ca -0.06 0.05 0.01 0.00 -1.01 0.00 0.00 55.97 54.95 2ekj s LYS 73 Cb -0.04 -2.18 0.17 0.00 -1.01 0.00 0.00 37.83 34.77 2ekj s LYS 73 CO -0.00 -0.93 0.48 0.71 0.51 0.00 0.00 175.35 176.12 2ekj s TYR 74 N -3.15 -1.25 -0.86 3.18 1.51 -1.26 -4.27 117.35 111.25 2ekj s TYR 74 Ca 0.56 0.94 -0.25 0.00 -1.01 0.00 0.00 57.07 57.32 2ekj s TYR 74 Cb -0.11 0.15 -0.08 0.00 -0.11 0.00 0.00 41.96 41.82 2ekj s TYR 74 CO 0.47 -0.90 2.09 0.50 -1.11 0.00 0.00 175.55 176.60 2ekj s ARG 75 N 2.67 2.25 -0.55 -0.62 3.52 0.35 -3.44 118.95 123.13 2ekj s ARG 75 Ca 0.13 -0.01 -0.27 0.00 -0.13 0.00 0.00 55.73 55.45 2ekj s ARG 75 Cb -0.13 -4.96 0.03 0.00 -1.56 0.00 0.00 34.95 28.33 2ekj s ARG 75 CO -0.23 -3.71 1.10 0.08 -0.81 0.00 0.00 175.30 171.73 2ekj s VAL 76 N 11.57 4.18 -0.44 7.11 1.01 -0.27 -3.00 120.40 140.57 2ekj s VAL 76 Ca 0.77 0.78 -0.13 0.00 0.00 0.00 0.00 61.98 63.41 2ekj s VAL 76 Cb -0.09 -4.63 0.06 0.00 0.00 0.00 0.00 36.38 31.72 2ekj s VAL 76 CO 0.03 -1.18 0.32 -0.76 0.00 0.00 0.00 175.10 173.50 2ekj s LEU 77 N 4.51 5.32 -0.11 3.92 1.02 -0.76 -2.46 118.68 130.12 2ekj s LEU 77 Ca 0.40 -1.30 -0.05 0.00 0.02 0.00 0.00 54.13 53.20 2ekj s LEU 77 Cb -0.09 -2.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.98 2ekj s LEU 77 CO 0.25 -0.56 0.08 -0.69 0.02 0.00 0.00 176.35 175.45 2ekj s VAL 78 N 1.57 5.01 -0.05 -1.59 1.01 -0.94 -1.42 120.40 123.98 2ekj s VAL 78 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 2ekj s VAL 78 Cb -0.23 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.02 2ekj s VAL 78 CO 0.06 0.60 0.10 -0.44 0.00 0.00 0.00 175.10 175.42 2ekj s SER 79 N -0.88 -0.04 -0.10 3.32 0.01 -0.84 -2.17 113.70 113.01 2ekj s SER 79 Ca 0.14 0.20 -0.29 0.00 1.31 0.00 0.00 55.95 57.30 2ekj s SER 79 Cb -0.12 0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.18 2ekj s SER 79 CO 0.03 -0.14 0.97 0.00 0.41 0.00 0.00 173.24 174.51 2ekj s ALA 80 N 1.12 3.38 -0.16 1.44 0.00 -1.26 -1.93 121.76 124.35 2ekj s ALA 80 Ca -0.09 0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.09 2ekj s ALA 80 Cb -0.12 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 2ekj s ALA 80 CO -0.05 -0.54 0.26 0.42 0.00 0.00 0.00 175.76 175.85 2ekj s ILE 81 N 1.84 5.33 0.31 0.00 1.09 -0.75 -0.75 121.20 128.27 2ekj s ILE 81 Ca 0.47 0.47 0.08 0.00 -1.10 0.00 0.00 60.65 60.57 2ekj s ILE 81 Cb -0.18 -3.59 -0.06 0.00 -1.06 0.00 0.00 42.46 37.56 2ekj s ILE 81 CO 0.19 0.41 -0.07 -0.31 -0.10 0.00 0.00 174.94 175.06 2ekj s TYR 82 N 0.38 2.13 0.19 3.97 2.02 -0.92 -0.72 117.35 124.41 2ekj s TYR 82 Ca 0.15 -0.63 -0.16 0.00 -0.37 0.00 0.00 57.07 56.06 2ekj s TYR 82 Cb -0.13 -1.23 0.17 0.00 -0.40 0.00 0.00 41.96 40.38 2ekj s TYR 82 CO 0.03 0.39 1.63 0.00 -1.57 0.00 0.00 175.55 176.03 2ekj h ALA 83 N 2.17 0.28 0.01 3.71 0.00 -1.99 -2.38 119.26 121.05 2ekj h ALA 83 Ca -0.41 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2ekj h ALA 83 Cb 1.24 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.51 2ekj h ALA 83 CO 0.69 -0.48 -0.00 0.00 0.00 0.00 0.00 179.25 179.45 2ekj h ALA 84 N 1.44 -0.01 -1.26 0.00 0.00 -1.96 -3.49 119.26 113.97 2ekj h ALA 84 Ca 0.26 -0.25 0.34 0.00 0.00 0.00 0.00 54.91 55.26 2ekj h ALA 84 Cb 0.44 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.09 2ekj h ALA 84 CO -0.58 -0.25 0.90 0.20 0.00 0.00 0.00 179.25 179.52 2ekj s GLY 85 N -3.21 -0.41 0.18 0.00 0.00 -0.90 -5.16 107.32 97.83 2ekj s GLY 85 Ca -0.16 1.00 -0.17 0.00 0.00 0.00 0.00 44.72 45.39 2ekj s GLY 85 CO 0.67 0.23 0.63 1.09 0.00 0.00 0.00 173.10 175.73 2ekj s ARG 86 N -2.25 4.10 0.96 2.90 1.70 -1.26 -2.16 118.95 122.94 2ekj s ARG 86 Ca 0.14 0.67 -0.15 0.00 -0.47 0.00 0.00 55.73 55.91 2ekj s ARG 86 Cb 0.05 -2.90 0.18 0.00 -0.57 0.00 0.00 34.95 31.71 2ekj s ARG 86 CO -0.05 0.43 1.23 -1.54 -1.08 0.00 0.00 175.30 174.30 2ekj s SER 87 N -1.70 3.16 1.08 -2.89 1.04 0.07 -4.94 113.70 109.53 2ekj s SER 87 Ca 0.40 0.54 -0.18 0.00 0.48 0.00 0.00 55.95 57.19 2ekj s SER 87 Cb -0.16 -0.78 0.11 0.00 0.10 0.00 0.00 66.02 65.29 2ekj s SER 87 CO 0.20 -2.72 -0.02 -1.84 0.98 0.00 0.00 173.24 169.84 2ekj n GLU 88 N -3.81 -1.78 -4.80 4.02 0.28 -1.26 -4.51 120.64 108.77 2ekj n GLU 88 Ca 0.12 -0.51 -0.33 0.00 -0.16 0.00 0.00 57.16 56.28 2ekj n GLU 88 Cb 0.60 -1.57 -0.14 0.00 1.43 0.00 0.00 31.44 31.76 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 -2.16 2.65 -0.22 -1.84 0.00 -1.26 -4.49 121.76 114.44 2ekj s ALA 89 Ca 0.48 -0.91 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 2ekj s ALA 89 Cb -0.08 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 2ekj s ALA 89 CO 0.55 0.35 0.04 0.14 0.00 0.00 0.00 175.76 176.83 2ekj s VAL 90 N 0.01 4.23 0.35 0.00 -7.23 -0.92 -4.93 120.40 111.92 2ekj s VAL 90 Ca -0.04 -0.21 -0.05 0.00 -1.81 0.00 0.00 61.98 59.87 2ekj s VAL 90 Cb -0.14 -2.94 -0.05 0.00 0.56 0.00 0.00 36.38 33.81 2ekj s VAL 90 CO 0.04 0.39 0.63 -0.94 -0.31 0.00 0.00 175.10 174.91 2ekj s SER 91 N 1.17 6.39 -0.29 4.85 1.04 -1.26 -2.23 113.70 123.37 2ekj s SER 91 Ca 0.04 0.77 -0.14 0.00 0.48 0.00 0.00 55.95 57.10 2ekj s SER 91 Cb -0.14 -2.17 0.13 0.00 0.10 0.00 0.00 66.02 63.94 2ekj s SER 91 CO 0.02 -0.32 0.81 0.00 0.98 0.00 0.00 173.24 174.74 2ekj s ALA 92 N -2.30 -2.25 -0.24 5.32 0.00 -1.03 -4.92 121.76 116.34 2ekj s ALA 92 Ca 0.45 2.25 -0.20 0.00 0.00 0.00 0.00 51.96 54.46 2ekj s ALA 92 Cb -0.10 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.21 2ekj s ALA 92 CO 0.34 -0.73 0.61 0.95 0.00 0.00 0.00 175.76 176.93 2ekj s THR 93 N 2.27 5.00 -0.46 0.00 -4.23 -1.26 -1.11 115.64 115.85 2ekj s THR 93 Ca -0.06 1.11 0.03 0.00 -1.18 0.00 0.00 61.69 61.59 2ekj s THR 93 Cb -0.08 -3.92 0.13 0.00 1.34 0.00 0.00 72.50 69.97 2ekj s THR 93 CO -0.18 0.05 0.22 -0.83 -0.54 0.00 0.00 174.62 173.34 2ekj s GLY 94 N 1.42 2.05 0.03 3.99 0.00 -1.22 -4.88 107.32 108.71 2ekj s GLY 94 Ca 0.26 -2.88 -0.33 0.00 0.00 0.00 0.00 44.72 41.78 2ekj s GLY 94 CO 0.09 1.22 1.82 -0.18 0.00 0.00 0.00 173.10 176.05 2ekj n GLN 95 N 3.47 2.42 -0.38 2.90 7.27 -1.26 -4.09 117.38 127.71 2ekj n GLN 95 Ca 0.06 0.88 -0.30 0.00 0.07 0.00 0.00 57.00 57.71 2ekj n GLN 95 Cb 0.34 -2.74 0.29 0.00 2.41 0.00 0.00 30.24 30.54 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 3.14 1.23 0.17 1.69 -4.23 0.07 -4.82 115.64 112.88 2ekj s THR 96 Ca 0.87 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 61.08 2ekj s THR 96 Cb -0.60 -2.07 -0.07 0.00 1.34 0.00 0.00 72.50 71.09 2ekj s THR 96 CO 0.44 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 175.60 2ekj s ALA 97 N -2.28 3.35 0.52 3.99 0.00 -1.26 -3.86 121.76 122.22 2ekj s ALA 97 Ca 0.69 0.78 -0.18 0.00 0.00 0.00 0.00 51.96 53.25 2ekj s ALA 97 Cb -0.14 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 2ekj s ALA 97 CO 0.58 -0.18 1.02 0.00 0.00 0.00 0.00 175.76 177.18 2ekj h PRO 99 N 1.04 0.81 -3.50 0.00 0.13 -1.96 -3.45 132.00 125.08 2ekj h PRO 99 Ca -0.48 -0.43 -0.22 0.00 -0.87 0.00 0.00 66.00 64.01 2ekj h PRO 99 Cb 1.20 0.01 -0.28 0.00 0.13 0.00 0.00 31.00 32.07 2ekj h PRO 99 CO 0.59 1.06 -0.62 0.45 -0.23 0.00 0.00 178.00 179.25 2ekj s SER 100 N -6.68 -0.08 -0.27 1.44 0.15 -1.26 -5.16 113.70 101.84 2ekj s SER 100 Ca -0.12 0.18 -0.24 0.00 0.70 0.00 0.00 55.95 56.47 2ekj s SER 100 Cb 0.10 0.16 0.08 0.00 -1.71 0.00 0.00 66.02 64.65 2ekj s SER 100 CO 0.85 -0.05 0.78 -0.83 1.20 0.00 0.00 173.24 175.20 2ekj s GLY 101 N 0.22 -0.47 0.00 9.45 0.00 -1.26 -5.02 107.32 110.24 2ekj s GLY 101 Ca -0.01 2.19 0.15 0.00 0.00 0.00 0.00 44.72 47.04 2ekj s GLY 101 CO -0.01 1.81 1.41 -1.55 0.00 0.00 0.00 173.10 174.77 2ekj n PRO 102 N 2.71 0.17 -3.95 2.90 -0.04 -1.26 -4.55 135.00 130.98 2ekj n PRO 102 Ca -0.14 0.17 -0.24 0.00 -0.04 0.00 0.00 63.50 63.25 2ekj n PRO 102 Cb 0.55 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.34 2ekj n PRO 102 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ekj s SER 103 N -2.65 1.64 -0.33 3.54 0.01 -1.26 -5.09 113.70 109.56 2ekj s SER 103 Ca 0.13 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 2ekj s SER 103 Cb 0.10 -0.59 -0.07 0.00 0.21 0.00 0.00 66.02 65.67 2ekj s SER 103 CO 0.23 -0.13 2.29 -0.24 0.41 0.00 0.00 173.24 175.80 2ekj n SER 104 N 4.76 2.75 0.00 2.44 2.88 -1.26 -5.15 113.62 120.04 2ekj n SER 104 Ca -0.14 0.04 0.15 0.00 -1.33 0.00 0.00 58.87 57.60 2ekj n SER 104 Cb 0.50 -1.50 0.88 0.00 -0.75 0.00 0.00 64.21 63.34 2ekj n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42