#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 3.53 -0.47 1.61 0.15 -1.26 -5.09 113.70 112.16 2ekj s SER 2 Ca 0.00 -1.05 -0.19 0.00 0.70 0.00 0.00 55.95 55.41 2ekj s SER 2 Cb 0.00 -0.98 0.04 0.00 -1.71 0.00 0.00 66.02 63.37 2ekj s SER 2 CO 0.00 -0.26 0.56 -0.44 1.20 0.00 0.00 173.24 174.30 2ekj s SER 3 N 1.55 6.23 -0.27 5.45 0.01 -1.26 -5.00 113.70 120.41 2ekj s SER 3 Ca -0.04 -0.80 -0.03 0.00 1.31 0.00 0.00 55.95 56.40 2ekj s SER 3 Cb -0.18 -2.27 0.11 0.00 0.21 0.00 0.00 66.02 63.89 2ekj s SER 3 CO -0.07 -0.78 0.22 -0.83 0.41 0.00 0.00 173.24 172.19 2ekj s GLY 4 N 2.35 0.12 0.01 3.44 0.00 -1.26 -5.12 107.32 106.87 2ekj s GLY 4 Ca 0.15 -0.46 -0.34 0.00 0.00 0.00 0.00 44.72 44.07 2ekj s GLY 4 CO 0.13 2.32 1.76 -1.14 0.00 0.00 0.00 173.10 176.16 2ekj n SER 5 N 5.29 3.29 -3.69 1.64 3.41 -1.26 -4.95 113.62 117.35 2ekj n SER 5 Ca -0.04 1.02 -0.29 0.00 -0.26 0.00 0.00 58.87 59.29 2ekj n SER 5 Cb 0.46 -1.39 -0.13 0.00 -0.26 0.00 0.00 64.21 62.89 2ekj n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2ekj s SER 6 N 2.81 3.59 0.00 4.04 1.04 -1.26 -4.86 113.70 119.05 2ekj s SER 6 Ca 0.87 -2.61 0.00 0.00 0.48 0.00 0.00 55.95 54.69 2ekj s SER 6 Cb -0.69 -0.99 0.00 0.00 0.10 0.00 0.00 66.02 64.44 2ekj s SER 6 CO 0.46 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.03 2ekj n GLY 7 N 3.55 3.12 3.23 7.32 0.00 -1.26 -5.01 105.19 116.13 2ekj n GLY 7 Ca 0.09 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 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 3.06 -0.17 1.61 0.52 -1.26 -4.79 118.95 117.91 2ekj s ARG 8 Ca 0.00 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.39 2ekj s ARG 8 Cb 0.00 -2.93 0.02 0.00 0.52 0.00 0.00 34.95 32.56 2ekj s ARG 8 CO 0.00 -0.30 -0.19 0.45 0.02 0.00 0.00 175.30 175.28 2ekj s SER 9 N 1.38 3.22 0.76 0.23 0.15 -1.26 -4.84 113.70 113.33 2ekj s SER 9 Ca 0.03 -0.62 -0.11 0.00 0.70 0.00 0.00 55.95 55.95 2ekj s SER 9 Cb -0.15 -1.49 0.05 0.00 -1.71 0.00 0.00 66.02 62.72 2ekj s SER 9 CO -0.05 0.02 1.09 -2.16 1.20 0.00 0.00 173.24 173.34 2ekj s PRO 10 N 1.18 2.32 0.03 5.44 0.04 -1.26 -4.62 135.00 138.12 2ekj s PRO 10 Ca 0.02 1.20 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 2ekj s PRO 10 Cb -0.14 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 2ekj s PRO 10 CO -0.10 -1.60 1.43 -1.25 0.04 0.00 0.00 177.00 175.52 2ekj s PRO 11 N -4.80 4.28 0.52 0.56 0.04 -1.26 -4.83 135.00 129.50 2ekj s PRO 11 Ca 0.62 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.71 2ekj s PRO 11 Cb -0.18 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.85 2ekj s PRO 11 CO 0.54 -0.57 0.14 -1.12 0.04 0.00 0.00 177.00 176.04 2ekj s SER 12 N 1.81 4.30 -1.17 6.66 0.01 -1.25 -4.77 113.70 119.29 2ekj s SER 12 Ca 0.65 -1.50 -0.07 0.00 1.31 0.00 0.00 55.95 56.35 2ekj s SER 12 Cb -0.33 0.44 0.01 0.00 0.21 0.00 0.00 66.02 66.35 2ekj s SER 12 CO 0.28 -0.92 1.02 0.59 0.41 0.00 0.00 173.24 174.62 2ekj n ASN 13 N -1.43 -5.35 -4.73 2.44 3.02 -1.26 -1.88 115.26 106.07 2ekj n ASN 13 Ca -0.13 -0.48 -0.42 0.00 -0.03 0.00 0.00 54.58 53.52 2ekj n ASN 13 Cb 0.66 -4.48 -0.03 0.00 -0.61 0.00 0.00 39.78 35.32 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 -6.44 4.37 -0.24 3.41 1.43 -1.26 -4.50 118.68 115.45 2ekj s LEU 14 Ca 0.45 2.70 -0.03 0.00 -1.03 0.00 0.00 54.13 56.22 2ekj s LEU 14 Cb -0.20 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.50 2ekj s LEU 14 CO 0.64 -0.84 0.07 0.00 0.23 0.00 0.00 176.35 176.45 2ekj s ALA 15 N 0.87 0.98 -0.31 4.21 0.00 -1.15 -5.03 121.76 121.34 2ekj s ALA 15 Ca 0.69 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 51.50 2ekj s ALA 15 Cb -0.45 -1.30 -0.01 0.00 0.00 0.00 0.00 23.12 21.36 2ekj s ALA 15 CO 0.35 -1.38 0.59 -0.51 0.00 0.00 0.00 175.76 174.81 2ekj s LEU 16 N 1.88 4.17 -0.10 0.00 1.02 -1.26 -2.69 118.68 121.69 2ekj s LEU 16 Ca 0.04 0.34 0.01 0.00 0.02 0.00 0.00 54.13 54.54 2ekj s LEU 16 Cb -0.17 -2.75 -0.02 0.00 0.02 0.00 0.00 46.19 43.28 2ekj s LEU 16 CO -0.17 -0.46 -0.14 0.00 0.02 0.00 0.00 176.35 175.60 2ekj s ALA 17 N 2.53 2.60 -0.30 4.21 0.00 0.13 -4.91 121.76 126.02 2ekj s ALA 17 Ca 0.23 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 2ekj s ALA 17 Cb -0.15 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 21.88 2ekj s ALA 17 CO 0.12 0.34 0.08 0.45 0.00 0.00 0.00 175.76 176.75 2ekj s SER 18 N 0.03 5.12 -0.13 0.00 0.15 -1.26 0.13 113.70 117.75 2ekj s SER 18 Ca -0.05 -0.84 0.11 0.00 0.70 0.00 0.00 55.95 55.87 2ekj s SER 18 Cb -0.14 -1.86 -0.16 0.00 -1.71 0.00 0.00 66.02 62.14 2ekj s SER 18 CO 0.04 -0.23 0.04 -0.62 1.20 0.00 0.00 173.24 173.68 2ekj n GLU 19 N 4.84 1.85 -3.91 5.44 -0.58 -1.26 -4.75 120.64 122.27 2ekj n GLU 19 Ca -0.14 -0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.49 2ekj n GLU 19 Cb 0.47 -1.33 -0.12 0.00 -0.57 0.00 0.00 31.44 29.88 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 -2.32 0.05 -2.00 2.62 -1.32 -1.21 -4.99 115.64 106.47 2ekj s THR 20 Ca -0.07 -0.44 0.13 0.00 -1.21 0.00 0.00 61.69 60.10 2ekj s THR 20 Cb 0.04 -0.18 0.36 0.00 -1.51 0.00 0.00 72.50 71.21 2ekj s THR 20 CO 0.53 -0.24 1.18 -0.81 -2.21 0.00 0.00 174.62 173.07 2ekj n PRO 21 N 2.30 0.49 0.00 7.08 -0.04 -1.26 -1.73 135.00 141.84 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 -1.40 0.00 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 -0.90 0.98 -3.56 3.54 8.00 -1.26 -3.38 116.55 119.96 2ekj n ASP 22 Ca 0.09 -0.99 -0.17 0.00 0.71 0.00 0.00 54.79 54.44 2ekj n ASP 22 Cb 0.04 0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 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 -0.95 -0.65 -0.09 -2.24 0.01 -0.70 -0.84 113.70 108.24 2ekj s SER 23 Ca 0.05 0.83 0.02 0.00 1.31 0.00 0.00 55.95 58.16 2ekj s SER 23 Cb 0.05 0.71 0.01 0.00 0.21 0.00 0.00 66.02 67.00 2ekj s SER 23 CO 0.14 -0.53 -0.14 -0.22 0.41 0.00 0.00 173.24 172.91 2ekj s LEU 24 N -0.87 1.67 0.27 2.44 2.96 -1.12 -3.33 118.68 120.70 2ekj s LEU 24 Ca -0.09 -0.36 -0.26 0.00 -0.22 0.00 0.00 54.13 53.20 2ekj s LEU 24 Cb -0.01 -0.96 -0.09 0.00 0.50 0.00 0.00 46.19 45.63 2ekj s LEU 24 CO 0.08 0.03 0.90 -1.58 -1.32 0.00 0.00 176.35 174.45 2ekj s GLN 25 N 0.82 4.62 -0.13 1.98 2.00 0.35 -2.36 119.66 126.94 2ekj s GLN 25 Ca -0.11 1.30 -0.06 0.00 -2.00 0.00 0.00 55.36 54.49 2ekj s GLN 25 Cb -0.15 -3.00 0.05 0.00 0.80 0.00 0.00 33.01 30.71 2ekj s GLN 25 CO 0.02 0.40 0.29 0.54 -0.50 0.00 0.00 175.29 176.04 2ekj s VAL 26 N -1.43 -0.07 0.39 1.34 0.11 -0.81 0.21 120.40 120.15 2ekj s VAL 26 Ca 0.45 0.14 0.04 0.00 -2.93 0.00 0.00 61.98 59.68 2ekj s VAL 26 Cb -0.21 -0.45 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 2ekj s VAL 26 CO 0.26 0.06 0.15 -0.55 -3.33 0.00 0.00 175.10 171.69 2ekj s SER 27 N 1.40 2.60 0.06 3.54 0.15 -1.10 -1.03 113.70 119.32 2ekj s SER 27 Ca -0.09 -1.68 -0.27 0.00 0.70 0.00 0.00 55.95 54.62 2ekj s SER 27 Cb -0.10 0.50 0.10 0.00 -1.71 0.00 0.00 66.02 64.81 2ekj s SER 27 CO -0.10 -0.94 1.18 -1.66 1.20 0.00 0.00 173.24 172.92 2ekj s TRP 28 N -3.26 -0.02 -0.26 3.44 -2.14 -0.25 -2.91 118.94 113.55 2ekj s TRP 28 Ca 0.26 -0.19 -0.09 0.00 2.66 0.00 0.00 56.10 58.74 2ekj s TRP 28 Cb 0.03 0.60 -0.04 0.00 -3.10 0.00 0.00 33.47 30.96 2ekj s TRP 28 CO 0.16 -0.51 0.13 0.99 -2.66 0.00 0.00 176.95 175.06 2ekj s THR 29 N -2.42 4.89 0.30 0.66 2.01 -0.79 -4.76 115.64 115.53 2ekj s THR 29 Ca 0.19 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 2ekj s THR 29 Cb 0.01 -3.30 -0.10 0.00 0.01 0.00 0.00 72.50 69.12 2ekj s THR 29 CO -0.00 0.31 1.23 -2.16 -0.69 0.00 0.00 174.62 173.31 2ekj s PRO 30 N 1.51 4.46 1.11 4.92 0.04 -1.26 -3.80 135.00 141.98 2ekj s PRO 30 Ca 0.06 2.06 -0.16 0.00 0.04 0.00 0.00 61.00 63.00 2ekj s PRO 30 Cb -0.15 -3.12 0.24 0.00 0.04 0.00 0.00 34.50 31.51 2ekj s PRO 30 CO 0.07 -0.05 1.10 -1.25 0.04 0.00 0.00 177.00 176.91 2ekj s PRO 31 N -1.55 -0.45 0.02 0.56 0.04 -1.26 -4.99 135.00 127.37 2ekj s PRO 31 Ca 0.48 0.22 -0.23 0.00 0.04 0.00 0.00 61.00 61.50 2ekj s PRO 31 Cb -0.37 -1.66 -0.17 0.00 0.04 0.00 0.00 34.50 32.34 2ekj s PRO 31 CO 0.48 -3.25 1.35 1.25 0.04 0.00 0.00 177.00 176.86 2ekj h LEU 32 N -2.26 0.16 -9.42 -3.56 6.46 -1.96 -3.43 115.31 101.31 2ekj h LEU 32 Ca -0.50 -0.43 -0.54 0.00 -0.12 0.00 0.00 57.88 56.28 2ekj h LEU 32 Cb 1.32 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 2ekj h LEU 32 CO 0.46 0.56 0.61 -0.83 -0.62 0.00 0.00 178.44 178.62 2ekj s GLY 33 N -3.19 2.32 0.78 3.75 0.00 -1.26 -4.98 107.32 104.74 2ekj s GLY 33 Ca -0.15 0.76 -0.17 0.00 0.00 0.00 0.00 44.72 45.16 2ekj s GLY 33 CO 0.71 2.10 -0.30 -0.96 0.00 0.00 0.00 173.10 174.64 2ekj n ARG 34 N 4.41 0.03 -3.80 2.90 0.00 -1.26 -4.96 116.66 113.97 2ekj n ARG 34 Ca 0.10 0.02 -0.29 0.00 -0.00 0.00 0.00 57.85 57.67 2ekj n ARG 34 Cb 0.46 -1.16 -0.16 0.00 -0.00 0.00 0.00 32.46 31.60 2ekj n ARG 34 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2ekj s VAL 35 N -2.01 0.96 0.20 8.89 1.01 -1.26 -4.84 120.40 123.35 2ekj s VAL 35 Ca 0.51 -1.04 -0.18 0.00 0.00 0.00 0.00 61.98 61.27 2ekj s VAL 35 Cb -0.32 -1.48 0.17 0.00 0.00 0.00 0.00 36.38 34.75 2ekj s VAL 35 CO 0.72 -0.33 1.41 0.18 0.00 0.00 0.00 175.10 177.09 2ekj n LEU 36 N 4.86 -0.65 -3.53 3.92 4.77 -0.54 -4.31 117.00 121.52 2ekj n LEU 36 Ca -0.07 1.59 -0.13 0.00 -0.03 0.00 0.00 56.01 57.37 2ekj n LEU 36 Cb 0.45 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2ekj n LEU 36 CO 0.14 -1.41 0.32 -1.38 -1.33 0.00 0.00 177.39 173.73 2ekj s HIS 37 N -5.80 -0.45 -0.43 -1.77 -3.43 -1.25 -4.30 115.29 97.86 2ekj s HIS 37 Ca -0.12 0.40 -0.11 0.00 -0.80 0.00 0.00 55.06 54.43 2ekj s HIS 37 Cb 0.17 0.41 0.07 0.00 -1.43 0.00 0.00 32.58 31.80 2ekj s HIS 37 CO 0.64 -0.72 0.29 0.71 -2.00 0.00 0.00 174.74 173.66 2ekj s TYR 38 N -2.96 3.31 -0.63 0.38 2.02 -0.59 -2.00 117.35 116.89 2ekj s TYR 38 Ca -0.03 -1.37 -0.27 0.00 -0.37 0.00 0.00 57.07 55.04 2ekj s TYR 38 Cb -0.00 -2.98 0.03 0.00 -0.40 0.00 0.00 41.96 38.61 2ekj s TYR 38 CO -0.06 -0.83 1.18 -0.46 -1.57 0.00 0.00 175.55 173.81 2ekj s TRP 39 N 1.48 2.54 -0.12 2.71 -0.00 -0.95 -2.11 118.94 122.50 2ekj s TRP 39 Ca 0.03 0.19 -0.11 0.00 -0.00 0.00 0.00 56.10 56.21 2ekj s TRP 39 Cb -0.23 -4.49 -0.05 0.00 -0.00 0.00 0.00 33.47 28.71 2ekj s TRP 39 CO 0.03 -1.70 0.23 -1.17 -0.00 0.00 0.00 176.95 174.34 2ekj s LEU 40 N 5.02 4.34 -0.50 5.86 0.20 -1.00 -2.00 118.68 130.60 2ekj s LEU 40 Ca 0.38 0.55 0.03 0.00 0.69 0.00 0.00 54.13 55.78 2ekj s LEU 40 Cb -0.09 -2.26 0.15 0.00 -0.43 0.00 0.00 46.19 43.57 2ekj s LEU 40 CO 0.21 0.28 0.32 0.42 -0.29 0.00 0.00 176.35 177.29 2ekj s THR 41 N -0.46 1.53 0.30 3.68 -4.23 0.21 -0.06 115.64 116.60 2ekj s THR 41 Ca 0.16 -2.98 -0.13 0.00 -1.18 0.00 0.00 61.69 57.56 2ekj s THR 41 Cb -0.13 -2.04 -0.08 0.00 1.34 0.00 0.00 72.50 71.58 2ekj s THR 41 CO 0.05 -0.99 0.67 -0.72 -0.54 0.00 0.00 174.62 173.09 2ekj s TYR 42 N -0.13 3.40 -0.11 3.99 1.13 -1.08 -1.15 117.35 123.38 2ekj s TYR 42 Ca 0.23 1.08 -0.33 0.00 -1.41 0.00 0.00 57.07 56.64 2ekj s TYR 42 Cb -0.14 -2.43 0.13 0.00 -1.10 0.00 0.00 41.96 38.42 2ekj s TYR 42 CO -0.08 0.14 1.19 0.00 -2.51 0.00 0.00 175.55 174.29 2ekj s ALA 43 N -1.95 -2.07 -0.52 9.51 0.00 -1.11 -2.34 121.76 123.28 2ekj s ALA 43 Ca 0.52 1.25 -0.27 0.00 0.00 0.00 0.00 51.96 53.45 2ekj s ALA 43 Cb -0.11 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.09 2ekj s ALA 43 CO 0.20 -0.74 1.80 -1.25 0.00 0.00 0.00 175.76 175.77 2ekj s PRO 44 N -2.53 2.90 0.48 0.00 0.04 -1.26 0.23 135.00 134.86 2ekj s PRO 44 Ca 0.10 0.86 0.43 0.00 0.04 0.00 0.00 61.00 62.43 2ekj s PRO 44 Cb 0.00 -4.30 1.51 0.00 0.04 0.00 0.00 34.50 31.75 2ekj s PRO 44 CO -0.05 -2.39 1.37 0.00 0.04 0.00 0.00 177.00 175.98 2ekj n ALA 45 N 11.73 1.63 -0.31 8.56 0.00 -1.26 -0.28 120.51 140.59 2ekj n ALA 45 Ca 0.21 0.60 0.29 0.00 0.00 0.00 0.00 53.44 54.54 2ekj n ALA 45 Cb 0.50 -1.00 0.54 0.00 0.00 0.00 0.00 19.45 19.50 2ekj n ALA 45 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ekj n SER 46 N -3.77 0.30 0.00 0.00 3.41 -1.26 -4.77 113.62 107.53 2ekj n SER 46 Ca 0.39 1.59 0.00 0.00 -0.26 0.00 0.00 58.87 60.59 2ekj n SER 46 Cb 1.74 -0.76 0.00 0.00 -0.26 0.00 0.00 64.21 64.94 2ekj n SER 46 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ekj n GLY 47 N -1.27 2.78 0.34 5.00 0.00 0.62 -4.83 105.19 107.83 2ekj n GLY 47 Ca 0.35 -0.61 0.01 0.00 0.00 0.00 0.00 46.02 45.77 2ekj n GLY 47 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2ekj h LEU 48 N 0.00 0.77-10.36 0.99 8.10 -1.86 -3.43 115.31 109.52 2ekj h LEU 48 Ca 0.00 -0.03 -0.50 0.00 0.11 0.00 0.00 57.88 57.46 2ekj h LEU 48 Cb 0.00 -0.19 0.12 0.00 -0.44 0.00 0.00 40.66 40.14 2ekj h LEU 48 CO 0.00 0.58 0.32 -0.83 -4.11 0.00 0.00 178.44 174.41 2ekj s GLY 49 N -3.46 1.64 0.71 0.17 0.00 -1.26 -5.05 107.32 100.07 2ekj s GLY 49 Ca -0.10 -0.03 -0.12 0.00 0.00 0.00 0.00 44.72 44.47 2ekj s GLY 49 CO 0.77 0.37 0.63 -1.55 0.00 0.00 0.00 173.10 173.32 2ekj n PRO 50 N -3.49 -2.25 -5.24 2.90 -0.04 -1.26 -4.86 135.00 120.75 2ekj n PRO 50 Ca 0.07 -1.01 -0.31 0.00 -0.04 0.00 0.00 63.50 62.21 2ekj n PRO 50 Cb 0.55 -0.95 -0.16 0.00 -0.04 0.00 0.00 33.50 32.90 2ekj n PRO 50 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ekj s GLU 51 N -4.43 2.54 0.39 0.54 2.12 -1.26 -4.46 118.70 114.15 2ekj s GLU 51 Ca 0.41 -0.89 0.08 0.00 0.36 0.00 0.00 54.97 54.93 2ekj s GLU 51 Cb -0.04 -2.14 -0.07 0.00 0.26 0.00 0.00 34.13 32.14 2ekj s GLU 51 CO 0.31 0.36 0.00 0.15 -0.54 0.00 0.00 175.26 175.55 2ekj s LYS 52 N -0.12 1.95 -0.06 4.30 -0.14 -0.99 -5.06 119.74 119.63 2ekj s LYS 52 Ca -0.05 -2.04 -0.18 0.00 -1.36 0.00 0.00 55.97 52.34 2ekj s LYS 52 Cb -0.14 -1.69 0.04 0.00 -1.68 0.00 0.00 37.83 34.36 2ekj s LYS 52 CO 0.04 -0.01 0.41 0.45 -0.76 0.00 0.00 175.35 175.48 2ekj s SER 53 N -3.70 -0.34 -0.06 2.83 0.15 -1.26 -2.63 113.70 108.67 2ekj s SER 53 Ca 0.35 0.39 -0.03 0.00 0.70 0.00 0.00 55.95 57.36 2ekj s SER 53 Cb 0.08 0.49 0.04 0.00 -1.71 0.00 0.00 66.02 64.92 2ekj s SER 53 CO 0.18 -0.41 0.13 0.68 1.20 0.00 0.00 173.24 175.02 2ekj s VAL 54 N -0.95 -0.12 0.43 4.45 -7.23 0.92 -4.98 120.40 112.92 2ekj s VAL 54 Ca -0.10 0.26 -0.23 0.00 -1.81 0.00 0.00 61.98 60.10 2ekj s VAL 54 Cb -0.04 -0.23 -0.08 0.00 0.56 0.00 0.00 36.38 36.58 2ekj s VAL 54 CO 0.05 0.11 1.07 -0.44 -0.31 0.00 0.00 175.10 175.58 2ekj s SER 55 N 1.59 6.52 -0.00 4.85 0.01 -1.26 -2.38 113.70 123.03 2ekj s SER 55 Ca -0.04 2.08 0.01 0.00 1.31 0.00 0.00 55.95 59.30 2ekj s SER 55 Cb -0.12 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2ekj s SER 55 CO -0.05 -0.66 -0.03 -0.69 0.41 0.00 0.00 173.24 172.22 2ekj s VAL 56 N -1.70 0.23 -0.40 3.43 1.01 -0.89 -4.96 120.40 117.11 2ekj s VAL 56 Ca 0.61 -0.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.20 2ekj s VAL 56 Cb -0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2ekj s VAL 56 CO 0.27 0.07 1.73 -2.16 0.00 0.00 0.00 175.10 175.02 2ekj s PRO 57 N 0.02 3.25 0.30 2.72 0.04 -1.26 -1.55 135.00 138.51 2ekj s PRO 57 Ca 0.00 1.17 0.21 0.00 0.04 0.00 0.00 61.00 62.42 2ekj s PRO 57 Cb -0.02 -4.20 1.02 0.00 0.04 0.00 0.00 34.50 31.34 2ekj s PRO 57 CO -0.00 -1.96 1.10 0.41 0.04 0.00 0.00 177.00 176.59 2ekj n GLY 58 N 5.41 -0.57 0.35 0.56 0.00 -1.26 0.05 105.19 109.72 2ekj n GLY 58 Ca 0.21 0.55 0.06 0.00 0.00 0.00 0.00 46.02 46.83 2ekj n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ekj n ALA 59 N -2.53 0.22 -2.92 4.61 0.00 -1.26 -4.40 120.51 114.23 2ekj n ALA 59 Ca 0.28 1.06 -0.24 0.00 0.00 0.00 0.00 53.44 54.54 2ekj n ALA 59 Cb 1.05 -0.63 -0.02 0.00 0.00 0.00 0.00 19.45 19.85 2ekj n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2ekj s ARG 60 N -6.20 3.45 -0.21 0.00 1.70 0.11 -5.02 118.95 112.77 2ekj s ARG 60 Ca -0.14 -0.63 0.12 0.00 -0.47 0.00 0.00 55.73 54.61 2ekj s ARG 60 Cb 0.26 -2.90 0.42 0.00 -0.57 0.00 0.00 34.95 32.17 2ekj s ARG 60 CO 0.75 0.44 1.28 0.45 -1.08 0.00 0.00 175.30 177.14 2ekj n SER 61 N -1.05 2.15 -3.75 -2.89 2.88 -1.26 -4.78 113.62 104.92 2ekj n SER 61 Ca -0.08 -3.67 -0.13 0.00 -1.33 0.00 0.00 58.87 53.66 2ekj n SER 61 Cb 0.55 -0.54 -0.09 0.00 -0.75 0.00 0.00 64.21 63.39 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 -3.15 -0.24 0.18 0.66 -3.43 -1.26 -1.09 115.29 106.96 2ekj s HIS 62 Ca 0.39 0.42 -0.16 0.00 -0.80 0.00 0.00 55.06 54.91 2ekj s HIS 62 Cb 0.36 0.12 0.02 0.00 -1.43 0.00 0.00 32.58 31.65 2ekj s HIS 62 CO -0.03 -0.36 0.47 0.54 -2.00 0.00 0.00 174.74 173.36 2ekj s VAL 63 N -1.05 0.04 -0.05 -5.38 0.11 -0.20 -5.00 120.40 108.87 2ekj s VAL 63 Ca -0.11 -0.83 0.06 0.00 -2.93 0.00 0.00 61.98 58.17 2ekj s VAL 63 Cb -0.05 -1.54 -0.01 0.00 -1.53 0.00 0.00 36.38 33.25 2ekj s VAL 63 CO 0.04 -0.18 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.49 2ekj s THR 64 N -3.87 2.00 -0.60 5.04 2.01 -1.26 -1.93 115.64 117.03 2ekj s THR 64 Ca 0.09 -1.05 -0.09 0.00 0.31 0.00 0.00 61.69 60.96 2ekj s THR 64 Cb 0.00 -1.68 0.15 0.00 0.01 0.00 0.00 72.50 70.98 2ekj s THR 64 CO -0.04 0.56 0.47 -0.76 -0.69 0.00 0.00 174.62 174.16 2ekj s LEU 65 N -0.25 5.85 1.20 4.42 1.43 -1.00 -4.96 118.68 125.37 2ekj s LEU 65 Ca -0.01 -2.33 -0.19 0.00 -1.03 0.00 0.00 54.13 50.58 2ekj s LEU 65 Cb -0.13 -2.02 0.28 0.00 0.03 0.00 0.00 46.19 44.35 2ekj s LEU 65 CO 0.03 -0.59 1.11 -2.16 0.23 0.00 0.00 176.35 174.96 2ekj s PRO 66 N 0.73 -1.18 -1.18 1.29 0.04 -1.26 -2.80 135.00 130.64 2ekj s PRO 66 Ca 0.11 -0.04 -0.04 0.00 0.04 0.00 0.00 61.00 61.07 2ekj s PRO 66 Cb -0.21 -1.60 -0.02 0.00 0.04 0.00 0.00 34.50 32.71 2ekj s PRO 66 CO -0.03 -3.69 0.88 -3.47 0.04 0.00 0.00 177.00 170.73 2ekj n ASP 67 N -4.75 -3.48 -4.85 6.66 -0.08 -0.02 -4.87 116.55 105.16 2ekj n ASP 67 Ca 0.13 -0.74 -0.23 0.00 -1.51 0.00 0.00 54.79 52.45 2ekj n ASP 67 Cb 0.59 -4.72 -0.04 0.00 2.34 0.00 0.00 41.12 39.30 2ekj n ASP 67 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2ekj s LEU 68 N -6.17 3.20 0.00 -2.67 1.43 -0.22 -4.98 118.68 109.28 2ekj s LEU 68 Ca 0.18 -0.91 0.06 0.00 -1.03 0.00 0.00 54.13 52.43 2ekj s LEU 68 Cb -0.03 -1.75 0.06 0.00 0.03 0.00 0.00 46.19 44.50 2ekj s LEU 68 CO 0.77 -0.71 0.53 0.00 0.23 0.00 0.00 176.35 177.16 2ekj n GLN 69 N -1.52 0.74 -4.56 1.70 1.13 -1.22 -4.21 117.38 109.45 2ekj n GLN 69 Ca 0.02 -2.48 -0.33 0.00 -1.94 0.00 0.00 57.00 52.26 2ekj n GLN 69 Cb 0.63 -0.05 -0.13 0.00 0.11 0.00 0.00 30.24 30.81 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 -2.56 2.88 -0.89 -1.58 0.00 -1.24 -4.48 121.76 113.88 2ekj s ALA 70 Ca 0.40 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 51.48 2ekj s ALA 70 Cb -0.03 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.70 2ekj s ALA 70 CO 0.26 0.28 0.76 0.00 0.00 0.00 0.00 175.76 177.06 2ekj n ALA 71 N 3.32 -1.16 -3.28 0.00 0.00 -0.76 -4.95 120.51 113.67 2ekj n ALA 71 Ca -0.18 0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.33 2ekj n ALA 71 Cb 0.53 -2.93 -0.05 0.00 0.00 0.00 0.00 19.45 17.00 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 -3.24 -0.72 1.31 0.00 2.01 -1.26 -4.88 115.64 108.86 2ekj s THR 72 Ca 0.21 -0.13 -0.20 0.00 0.31 0.00 0.00 61.69 61.88 2ekj s THR 72 Cb -0.09 -0.92 0.31 0.00 0.01 0.00 0.00 72.50 71.81 2ekj s THR 72 CO 0.51 -0.14 0.72 2.29 -0.69 0.00 0.00 174.62 177.30 2ekj n LYS 73 N 5.38 -3.81 -3.35 4.92 0.00 -1.26 -3.70 118.16 116.34 2ekj n LYS 73 Ca -0.01 -1.13 -0.09 0.00 -0.00 0.00 0.00 58.31 57.08 2ekj n LYS 73 Cb 0.50 -1.83 -0.08 0.00 -0.00 0.00 0.00 35.03 33.63 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 -2.14 -0.83 -0.72 5.58 1.51 -1.25 -4.22 117.35 115.28 2ekj s TYR 74 Ca 0.59 0.73 -0.25 0.00 -1.01 0.00 0.00 57.07 57.13 2ekj s TYR 74 Cb -0.12 -0.02 -0.14 0.00 -0.11 0.00 0.00 41.96 41.57 2ekj s TYR 74 CO 0.52 -0.75 2.41 -2.13 -1.11 0.00 0.00 175.55 174.49 2ekj n ARG 75 N 5.36 0.65 -2.70 -0.62 0.63 0.62 -4.12 116.66 116.48 2ekj n ARG 75 Ca -0.03 -0.52 -0.43 0.00 -0.92 0.00 0.00 57.85 55.95 2ekj n ARG 75 Cb 0.50 -3.38 -0.03 0.00 0.45 0.00 0.00 32.46 29.99 2ekj n ARG 75 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2ekj s VAL 76 N 12.98 4.20 -0.42 5.15 1.01 -0.05 -2.76 120.40 140.49 2ekj s VAL 76 Ca 0.98 0.68 -0.13 0.00 0.00 0.00 0.00 61.98 63.51 2ekj s VAL 76 Cb -0.23 -4.63 0.05 0.00 0.00 0.00 0.00 36.38 31.57 2ekj s VAL 76 CO 0.18 -1.20 0.30 -0.76 0.00 0.00 0.00 175.10 173.62 2ekj s LEU 77 N 4.47 5.18 0.10 3.92 1.02 -0.30 -2.60 118.68 130.46 2ekj s LEU 77 Ca 0.38 -1.14 0.03 0.00 0.02 0.00 0.00 54.13 53.42 2ekj s LEU 77 Cb -0.09 -2.11 -0.04 0.00 0.02 0.00 0.00 46.19 43.97 2ekj s LEU 77 CO 0.24 -0.51 0.12 -0.69 0.02 0.00 0.00 176.35 175.53 2ekj s VAL 78 N 1.60 4.68 -0.16 -1.59 1.01 -0.92 0.67 120.40 125.69 2ekj s VAL 78 Ca 0.04 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 2ekj s VAL 78 Cb -0.21 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 32.93 2ekj s VAL 78 CO 0.07 0.05 0.36 -0.44 0.00 0.00 0.00 175.10 175.14 2ekj s SER 79 N -2.65 -0.30 -0.06 3.32 0.01 -0.85 -1.07 113.70 112.10 2ekj s SER 79 Ca 0.31 0.80 -0.30 0.00 1.31 0.00 0.00 55.95 58.07 2ekj s SER 79 Cb -0.12 0.81 -0.03 0.00 0.21 0.00 0.00 66.02 66.90 2ekj s SER 79 CO 0.24 -0.20 1.12 0.00 0.41 0.00 0.00 173.24 174.80 2ekj s ALA 80 N 1.75 3.43 -0.12 1.44 0.00 -1.26 -2.24 121.76 124.77 2ekj s ALA 80 Ca -0.07 0.54 -0.10 0.00 0.00 0.00 0.00 51.96 52.33 2ekj s ALA 80 Cb -0.10 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 2ekj s ALA 80 CO -0.11 -0.65 0.22 0.42 0.00 0.00 0.00 175.76 175.63 2ekj s ILE 81 N 2.00 5.37 0.29 0.00 1.09 -0.85 -0.42 121.20 128.68 2ekj s ILE 81 Ca 0.53 0.38 0.03 0.00 -1.10 0.00 0.00 60.65 60.49 2ekj s ILE 81 Cb -0.22 -3.51 -0.06 0.00 -1.06 0.00 0.00 42.46 37.61 2ekj s ILE 81 CO 0.21 0.54 0.07 -0.31 -0.10 0.00 0.00 174.94 175.35 2ekj s TYR 82 N -0.56 1.77 0.23 3.97 2.02 0.01 -1.47 117.35 123.32 2ekj s TYR 82 Ca 0.16 -1.04 -0.07 0.00 -0.37 0.00 0.00 57.07 55.75 2ekj s TYR 82 Cb -0.13 -1.11 0.33 0.00 -0.40 0.00 0.00 41.96 40.65 2ekj s TYR 82 CO 0.05 -0.13 1.79 0.00 -1.57 0.00 0.00 175.55 175.69 2ekj h ALA 83 N 2.24 1.01 0.06 3.71 0.00 -1.99 -2.51 119.26 121.78 2ekj h ALA 83 Ca -0.40 0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.29 2ekj h ALA 83 Cb 1.24 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.97 2ekj h ALA 83 CO 0.66 0.01 -1.07 0.00 0.00 0.00 0.00 179.25 178.85 2ekj h ALA 84 N 1.42 0.05 0.00 0.00 0.00 -2.01 -3.49 119.26 115.22 2ekj h ALA 84 Ca 0.35 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2ekj h ALA 84 Cb 0.33 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ekj h ALA 84 CO -0.24 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.04 2ekj n GLY 85 N 1.24 -0.67 3.91 0.00 0.00 -0.95 -5.16 105.19 103.57 2ekj n GLY 85 Ca -0.12 -1.06 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.00 3.45 0.88 1.61 1.70 -1.26 -0.81 118.95 122.52 2ekj s ARG 86 Ca 0.00 -0.37 -0.13 0.00 -0.47 0.00 0.00 55.73 54.76 2ekj s ARG 86 Cb 0.00 -3.06 0.15 0.00 -0.57 0.00 0.00 34.95 31.46 2ekj s ARG 86 CO 0.00 0.64 1.23 -1.54 -1.08 0.00 0.00 175.30 174.55 2ekj s SER 87 N -2.23 3.78 1.11 -2.89 1.04 0.43 -4.96 113.70 109.98 2ekj s SER 87 Ca 0.31 0.40 -0.17 0.00 0.48 0.00 0.00 55.95 56.97 2ekj s SER 87 Cb -0.13 -0.66 0.12 0.00 0.10 0.00 0.00 66.02 65.46 2ekj s SER 87 CO 0.23 -2.32 0.19 -1.84 0.98 0.00 0.00 173.24 170.48 2ekj n GLU 88 N -3.49 -1.58 -4.10 4.02 0.28 -1.26 -4.46 120.64 110.05 2ekj n GLU 88 Ca 0.12 -0.44 -0.35 0.00 -0.16 0.00 0.00 57.16 56.33 2ekj n GLU 88 Cb 0.60 -1.78 -0.09 0.00 1.43 0.00 0.00 31.44 31.60 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 -2.28 3.49 -0.28 -1.84 0.00 -1.26 -4.48 121.76 115.11 2ekj s ALA 89 Ca 0.58 -0.74 -0.08 0.00 0.00 0.00 0.00 51.96 51.72 2ekj s ALA 89 Cb -0.15 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 2ekj s ALA 89 CO 0.66 0.43 0.09 0.14 0.00 0.00 0.00 175.76 177.08 2ekj s VAL 90 N -0.41 4.26 0.39 0.00 -7.23 -0.23 -4.89 120.40 112.28 2ekj s VAL 90 Ca 0.09 -0.41 -0.09 0.00 -1.81 0.00 0.00 61.98 59.77 2ekj s VAL 90 Cb -0.12 -3.10 -0.06 0.00 0.56 0.00 0.00 36.38 33.66 2ekj s VAL 90 CO 0.02 0.19 0.72 -0.94 -0.31 0.00 0.00 175.10 174.78 2ekj s SER 91 N 1.58 6.48 -0.29 4.85 1.04 -1.26 -2.16 113.70 123.93 2ekj s SER 91 Ca 0.05 1.02 -0.14 0.00 0.48 0.00 0.00 55.95 57.36 2ekj s SER 91 Cb -0.16 -2.27 0.13 0.00 0.10 0.00 0.00 66.02 63.81 2ekj s SER 91 CO 0.04 -0.37 0.79 0.00 0.98 0.00 0.00 173.24 174.68 2ekj s ALA 92 N -2.34 -2.18 -0.21 5.32 0.00 -1.07 -4.91 121.76 116.36 2ekj s ALA 92 Ca 0.49 2.29 -0.14 0.00 0.00 0.00 0.00 51.96 54.60 2ekj s ALA 92 Cb -0.10 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 2ekj s ALA 92 CO 0.32 -0.68 0.32 0.95 0.00 0.00 0.00 175.76 176.68 2ekj s THR 93 N 2.17 5.25 -0.41 0.00 -4.23 -1.26 -0.88 115.64 116.29 2ekj s THR 93 Ca -0.07 0.54 0.01 0.00 -1.18 0.00 0.00 61.69 61.00 2ekj s THR 93 Cb -0.07 -3.66 0.13 0.00 1.34 0.00 0.00 72.50 70.24 2ekj s THR 93 CO -0.18 0.28 0.22 -0.83 -0.54 0.00 0.00 174.62 173.57 2ekj s GLY 94 N 1.02 1.44 -0.00 3.99 0.00 -1.26 -4.90 107.32 107.61 2ekj s GLY 94 Ca 0.15 -2.35 -0.38 0.00 0.00 0.00 0.00 44.72 42.15 2ekj s GLY 94 CO 0.07 1.66 1.42 -0.18 0.00 0.00 0.00 173.10 176.07 2ekj n GLN 95 N 3.78 1.11 -0.95 2.90 7.27 -1.26 -3.84 117.38 126.38 2ekj n GLN 95 Ca 0.08 0.40 -0.25 0.00 0.07 0.00 0.00 57.00 57.31 2ekj n GLN 95 Cb 0.36 -2.05 0.20 0.00 2.41 0.00 0.00 30.24 31.16 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 2.96 0.00 -2.45 1.69 -2.24 -1.24 -4.69 114.28 108.31 2ekj n THR 96 Ca 0.20 -0.45 -0.28 0.00 -2.27 0.00 0.00 64.05 61.25 2ekj n THR 96 Cb 0.17 -1.25 0.01 0.00 -2.10 0.00 0.00 70.33 67.16 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 -3.15 3.32 0.07 6.98 0.00 -1.26 -4.17 121.76 123.56 2ekj s ALA 97 Ca 0.59 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 52.15 2ekj s ALA 97 Cb -0.05 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 2ekj s ALA 97 CO 0.45 -0.50 -0.11 0.00 0.00 0.00 0.00 175.76 175.59 2ekj h PRO 99 N 3.96 0.00 -6.73 0.00 0.13 -1.98 -3.46 132.00 123.93 2ekj h PRO 99 Ca -0.49 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 2ekj h PRO 99 Cb 1.16 0.00 0.19 0.00 0.13 0.00 0.00 31.00 32.49 2ekj h PRO 99 CO 0.52 0.13 -0.39 0.45 -0.23 0.00 0.00 178.00 178.47 2ekj n SER 100 N -3.32 -1.28 -0.55 1.44 2.88 -1.26 -5.02 113.62 106.51 2ekj n SER 100 Ca -0.00 0.52 0.00 0.00 -1.33 0.00 0.00 58.87 58.06 2ekj n SER 100 Cb 0.35 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 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 1.54 1.49 3.70 0.46 0.00 -1.26 -5.10 105.19 106.02 2ekj n GLY 101 Ca 0.09 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 2ekj n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ekj s PRO 102 N 2.63 0.81 0.33 1.61 0.04 -1.26 -4.73 135.00 134.43 2ekj s PRO 102 Ca 0.00 0.65 0.11 0.00 0.04 0.00 0.00 61.00 61.81 2ekj s PRO 102 Cb 0.00 -1.77 1.03 0.00 0.04 0.00 0.00 34.50 33.80 2ekj s PRO 102 CO 0.00 -2.51 1.53 -1.13 0.04 0.00 0.00 177.00 174.93 2ekj n SER 103 N -4.04 0.12 -0.07 6.66 3.41 -1.26 0.16 113.62 118.59 2ekj n SER 103 Ca 0.06 1.63 -0.14 0.00 -0.26 0.00 0.00 58.87 60.16 2ekj n SER 103 Cb 0.56 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 63.78 2ekj n SER 103 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ekj h SER 104 N 0.00 0.96 0.00 4.04 0.02 -2.05 -3.56 113.55 112.96 2ekj h SER 104 Ca 0.71 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 2ekj h SER 104 Cb 1.71 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.98 2ekj h SER 104 CO -0.83 1.31 0.00 0.61 -1.14 0.00 0.00 176.83 176.78