#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 -0.10 0.07 1.61 0.02 -2.04 -3.41 113.55 109.69 2ekj h SER 2 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ekj h SER 2 Cb 0.00 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.57 2ekj h SER 2 CO 0.00 0.31 -0.03 0.28 -1.14 0.00 0.00 176.83 176.25 2ekj h SER 3 N -0.90 -0.08 0.00 3.07 0.02 -2.04 -3.51 113.55 110.12 2ekj h SER 3 Ca -0.01 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2ekj h SER 3 Cb 0.09 0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2ekj h SER 3 CO 0.02 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 176.78 2ekj n GLY 4 N 1.50 0.22 0.09 -3.77 0.00 -1.26 -4.91 105.19 97.05 2ekj n GLY 4 Ca -0.02 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 2ekj n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2ekj h SER 5 N 0.00 0.16 -0.71 1.61 0.02 -1.98 -3.33 113.55 109.31 2ekj h SER 5 Ca 0.00 -0.88 -0.56 0.00 -0.84 0.00 0.00 61.79 59.51 2ekj h SER 5 Cb 0.00 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 2ekj h SER 5 CO 0.00 1.27 -0.29 -0.44 -1.14 0.00 0.00 176.83 176.23 2ekj s SER 6 N -6.62 4.72 0.00 3.07 0.01 -1.26 -5.09 113.70 108.52 2ekj s SER 6 Ca -0.20 -1.15 0.00 0.00 1.31 0.00 0.00 55.95 55.91 2ekj s SER 6 Cb 0.01 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.52 2ekj s SER 6 CO 0.71 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.90 2ekj n GLY 7 N -1.78 0.29 3.13 3.44 0.00 -1.26 -4.81 105.19 104.19 2ekj n GLY 7 Ca 0.01 0.31 -0.28 0.00 0.00 0.00 0.00 46.02 46.05 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 0.99 2.23 -0.17 1.61 0.52 -1.26 -4.97 118.95 117.89 2ekj s ARG 8 Ca 0.00 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 2ekj s ARG 8 Cb 0.00 -1.79 0.01 0.00 0.52 0.00 0.00 34.95 33.68 2ekj s ARG 8 CO 0.00 0.16 -0.17 0.45 0.02 0.00 0.00 175.30 175.75 2ekj s SER 9 N 0.35 3.40 0.71 0.23 0.15 -1.26 -4.92 113.70 112.36 2ekj s SER 9 Ca -0.13 -0.57 -0.13 0.00 0.70 0.00 0.00 55.95 55.82 2ekj s SER 9 Cb -0.15 -1.53 0.03 0.00 -1.71 0.00 0.00 66.02 62.65 2ekj s SER 9 CO 0.05 0.03 1.10 -2.16 1.20 0.00 0.00 173.24 173.46 2ekj s PRO 10 N 1.15 2.55 0.06 5.44 0.04 -1.26 -4.70 135.00 138.28 2ekj s PRO 10 Ca 0.01 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 62.03 2ekj s PRO 10 Cb -0.14 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 2ekj s PRO 10 CO -0.07 -1.43 1.40 -1.25 0.04 0.00 0.00 177.00 175.69 2ekj s PRO 11 N -4.47 4.30 0.52 0.56 0.04 -1.26 -4.87 135.00 129.83 2ekj s PRO 11 Ca 0.64 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.75 2ekj s PRO 11 Cb -0.19 -3.40 0.02 0.00 0.04 0.00 0.00 34.50 30.96 2ekj s PRO 11 CO 0.48 -0.50 0.26 -1.12 0.04 0.00 0.00 177.00 176.16 2ekj s SER 12 N 1.49 4.46 -1.12 6.66 0.01 -1.23 -4.77 113.70 119.20 2ekj s SER 12 Ca 0.64 -1.36 -0.03 0.00 1.31 0.00 0.00 55.95 56.52 2ekj s SER 12 Cb -0.34 0.38 0.00 0.00 0.21 0.00 0.00 66.02 66.27 2ekj s SER 12 CO 0.29 -0.98 0.95 0.59 0.41 0.00 0.00 173.24 174.49 2ekj n ASN 13 N -1.57 -3.41 -4.72 2.44 3.02 -1.26 -0.79 115.26 108.97 2ekj n ASN 13 Ca -0.07 -0.53 -0.42 0.00 -0.03 0.00 0.00 54.58 53.53 2ekj n ASN 13 Cb 0.65 -4.58 -0.03 0.00 -0.61 0.00 0.00 39.78 35.21 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 -6.13 4.37 -0.15 3.41 1.43 -1.26 -4.40 118.68 115.95 2ekj s LEU 14 Ca 0.19 2.57 -0.04 0.00 -1.03 0.00 0.00 54.13 55.82 2ekj s LEU 14 Cb -0.08 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.59 2ekj s LEU 14 CO 0.65 -0.77 0.07 0.00 0.23 0.00 0.00 176.35 176.53 2ekj s ALA 15 N 0.90 0.52 -0.51 4.21 0.00 -1.09 -5.03 121.76 120.76 2ekj s ALA 15 Ca 0.67 -0.30 -0.19 0.00 0.00 0.00 0.00 51.96 52.14 2ekj s ALA 15 Cb -0.42 -0.98 0.06 0.00 0.00 0.00 0.00 23.12 21.78 2ekj s ALA 15 CO 0.33 -1.03 0.65 -0.51 0.00 0.00 0.00 175.76 175.20 2ekj s LEU 16 N 2.08 4.96 -0.18 0.00 1.02 -1.26 -2.23 118.68 123.07 2ekj s LEU 16 Ca 0.02 -0.92 -0.02 0.00 0.02 0.00 0.00 54.13 53.23 2ekj s LEU 16 Cb -0.15 -2.45 -0.01 0.00 0.02 0.00 0.00 46.19 43.60 2ekj s LEU 16 CO -0.08 -0.93 -0.10 0.00 0.02 0.00 0.00 176.35 175.27 2ekj s ALA 17 N 2.70 2.68 -0.25 4.21 0.00 0.32 -4.85 121.76 126.57 2ekj s ALA 17 Ca 0.16 -1.05 -0.10 0.00 0.00 0.00 0.00 51.96 50.96 2ekj s ALA 17 Cb -0.19 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.45 2ekj s ALA 17 CO 0.12 -0.12 0.15 -1.54 0.00 0.00 0.00 175.76 174.37 2ekj s SER 18 N 0.96 5.98 -0.02 0.00 1.04 -1.26 0.23 113.70 120.63 2ekj s SER 18 Ca -0.02 0.05 0.19 0.00 0.48 0.00 0.00 55.95 56.66 2ekj s SER 18 Cb -0.15 -2.08 -0.28 0.00 0.10 0.00 0.00 66.02 63.61 2ekj s SER 18 CO -0.01 0.04 0.47 -0.62 0.98 0.00 0.00 173.24 174.10 2ekj n GLU 19 N 4.47 0.62 -3.80 4.02 1.02 -1.25 -4.77 120.64 120.94 2ekj n GLU 19 Ca -0.15 -0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 56.72 2ekj n GLU 19 Cb 0.52 -1.44 -0.09 0.00 -0.02 0.00 0.00 31.44 30.41 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 -3.23 0.06 -2.00 2.62 -1.32 -1.21 -5.02 115.64 105.54 2ekj s THR 20 Ca -0.05 -0.50 0.10 0.00 -1.21 0.00 0.00 61.69 60.03 2ekj s THR 20 Cb 0.12 -0.52 0.28 0.00 -1.51 0.00 0.00 72.50 70.87 2ekj s THR 20 CO 0.78 -0.27 1.02 -0.81 -2.21 0.00 0.00 174.62 173.13 2ekj n PRO 21 N 1.53 0.49 0.00 7.08 -0.04 -1.26 -1.71 135.00 141.08 2ekj n PRO 21 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2ekj n PRO 21 Cb 0.56 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 2ekj n PRO 21 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2ekj n ASP 22 N -0.81 0.91 -3.59 3.54 5.68 -1.26 -3.69 116.55 117.33 2ekj n ASP 22 Ca 0.07 -0.98 -0.17 0.00 -0.50 0.00 0.00 54.79 53.22 2ekj n ASP 22 Cb 0.03 0.04 -0.07 0.00 -1.14 0.00 0.00 41.12 39.99 2ekj n ASP 22 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2ekj s SER 23 N -0.04 -0.55 -0.11 -1.12 0.01 -0.70 0.62 113.70 111.81 2ekj s SER 23 Ca 0.00 0.60 0.02 0.00 1.31 0.00 0.00 55.95 57.88 2ekj s SER 23 Cb 0.00 0.54 0.02 0.00 0.21 0.00 0.00 66.02 66.78 2ekj s SER 23 CO 0.00 -0.54 -0.15 -0.22 0.41 0.00 0.00 173.24 172.73 2ekj s LEU 24 N -1.12 1.72 0.20 2.44 2.96 -0.87 -3.29 118.68 120.72 2ekj s LEU 24 Ca -0.11 -0.43 -0.23 0.00 -0.22 0.00 0.00 54.13 53.14 2ekj s LEU 24 Cb -0.02 -1.10 -0.08 0.00 0.50 0.00 0.00 46.19 45.49 2ekj s LEU 24 CO 0.08 0.01 0.76 -1.58 -1.32 0.00 0.00 176.35 174.30 2ekj s GLN 25 N 1.04 4.42 -0.05 1.98 0.74 0.64 -1.58 119.66 126.85 2ekj s GLN 25 Ca -0.05 1.04 -0.04 0.00 0.05 0.00 0.00 55.36 56.35 2ekj s GLN 25 Cb -0.15 -3.04 0.02 0.00 1.10 0.00 0.00 33.01 30.94 2ekj s GLN 25 CO -0.03 0.47 0.13 0.54 -0.55 0.00 0.00 175.29 175.85 2ekj s VAL 26 N -1.36 -0.01 0.31 1.34 0.11 -0.96 0.12 120.40 119.94 2ekj s VAL 26 Ca 0.40 0.04 0.03 0.00 -2.93 0.00 0.00 61.98 59.52 2ekj s VAL 26 Cb -0.20 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.42 2ekj s VAL 26 CO 0.23 0.02 0.16 -0.94 -3.33 0.00 0.00 175.10 171.24 2ekj s SER 27 N 0.31 1.57 0.05 3.54 1.04 -0.94 -1.59 113.70 117.67 2ekj s SER 27 Ca -0.02 -1.57 -0.28 0.00 0.48 0.00 0.00 55.95 54.56 2ekj s SER 27 Cb -0.03 0.39 0.09 0.00 0.10 0.00 0.00 66.02 66.57 2ekj s SER 27 CO -0.01 -0.89 1.08 -1.66 0.98 0.00 0.00 173.24 172.73 2ekj s TRP 28 N -3.59 -0.13 -0.49 5.02 -2.14 -0.81 -2.66 118.94 114.13 2ekj s TRP 28 Ca 0.35 -0.07 -0.20 0.00 2.66 0.00 0.00 56.10 58.84 2ekj s TRP 28 Cb 0.05 0.59 0.05 0.00 -3.10 0.00 0.00 33.47 31.05 2ekj s TRP 28 CO 0.18 -0.57 0.66 0.99 -2.66 0.00 0.00 176.95 175.54 2ekj s THR 29 N -2.92 4.82 0.32 0.66 2.01 0.03 -4.82 115.64 115.73 2ekj s THR 29 Ca 0.12 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 2ekj s THR 29 Cb 0.01 -4.29 -0.10 0.00 0.01 0.00 0.00 72.50 68.12 2ekj s THR 29 CO -0.02 -0.78 1.22 -2.16 -0.69 0.00 0.00 174.62 172.20 2ekj s PRO 30 N 2.80 4.43 0.00 4.92 0.04 -1.26 -3.58 135.00 142.35 2ekj s PRO 30 Ca 0.18 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.27 2ekj s PRO 30 Cb -0.17 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2ekj s PRO 30 CO 0.14 -0.06 0.00 -0.35 0.04 0.00 0.00 177.00 176.77 2ekj n PRO 31 N 0.87 -0.06 -0.06 0.56 -0.04 -1.26 -5.01 135.00 130.00 2ekj n PRO 31 Ca -0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.43 2ekj n PRO 31 Cb 0.43 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.77 2ekj n PRO 31 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2ekj n LEU 32 N 0.00 0.00 -4.74 1.53 -0.00 -1.26 -5.00 117.00 107.53 2ekj n LEU 32 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.65 2ekj n LEU 32 Cb 0.00 0.27 0.06 0.00 -0.00 0.00 0.00 43.42 43.75 2ekj n LEU 32 CO 0.00 0.27 0.88 -0.83 -0.00 0.00 0.00 177.39 177.71 2ekj s GLY 33 N -4.61 2.80 -0.37 1.47 0.00 -1.26 -4.87 107.32 100.48 2ekj s GLY 33 Ca -0.07 1.14 -0.28 0.00 0.00 0.00 0.00 44.72 45.51 2ekj s GLY 33 CO 0.65 1.55 2.07 -1.60 0.00 0.00 0.00 173.10 175.77 2ekj s ARG 34 N -3.39 2.91 -0.29 2.90 6.06 -1.26 -4.95 118.95 120.93 2ekj s ARG 34 Ca 0.81 1.49 -0.09 0.00 -2.50 0.00 0.00 55.73 55.44 2ekj s ARG 34 Cb -0.35 -4.36 -0.01 0.00 0.06 0.00 0.00 34.95 30.29 2ekj s ARG 34 CO 0.38 -2.36 0.12 0.08 -2.50 0.00 0.00 175.30 171.02 2ekj s VAL 35 N 8.76 4.47 0.04 7.11 1.01 -1.26 -4.61 120.40 135.92 2ekj s VAL 35 Ca 0.88 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 62.27 2ekj s VAL 35 Cb -0.23 -3.21 -0.14 0.00 0.00 0.00 0.00 36.38 32.80 2ekj s VAL 35 CO 0.31 0.17 1.38 -0.07 0.00 0.00 0.00 175.10 176.88 2ekj h LEU 36 N 8.30 -0.78 -8.79 3.92 3.38 -1.86 -3.43 115.31 116.05 2ekj h LEU 36 Ca -0.34 0.03 -0.40 0.00 0.09 0.00 0.00 57.88 57.26 2ekj h LEU 36 Cb 1.16 0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.98 2ekj h LEU 36 CO 0.60 -0.55 -0.50 -1.38 0.09 0.00 0.00 178.44 176.70 2ekj s HIS 37 N -4.99 1.55 -0.46 1.13 -3.43 -1.26 -3.58 115.29 104.25 2ekj s HIS 37 Ca -0.13 -1.56 0.03 0.00 -0.80 0.00 0.00 55.06 52.60 2ekj s HIS 37 Cb 0.01 -0.62 0.12 0.00 -1.43 0.00 0.00 32.58 30.66 2ekj s HIS 37 CO 0.40 -0.83 0.21 0.71 -2.00 0.00 0.00 174.74 173.23 2ekj s TYR 38 N -3.61 2.90 -0.23 0.38 2.02 -0.50 -2.32 117.35 115.99 2ekj s TYR 38 Ca 0.39 -2.88 -0.28 0.00 -0.37 0.00 0.00 57.07 53.93 2ekj s TYR 38 Cb 0.03 -2.55 -0.05 0.00 -0.40 0.00 0.00 41.96 39.00 2ekj s TYR 38 CO 0.23 -0.79 2.16 -0.46 -1.57 0.00 0.00 175.55 175.12 2ekj s TRP 39 N 0.18 1.25 -0.11 2.71 -0.00 -0.88 -2.99 118.94 119.10 2ekj s TRP 39 Ca 0.16 0.54 -0.04 0.00 -0.00 0.00 0.00 56.10 56.75 2ekj s TRP 39 Cb -0.24 -3.96 -0.04 0.00 -0.00 0.00 0.00 33.47 29.24 2ekj s TRP 39 CO -0.03 -3.96 0.05 -1.17 -0.00 0.00 0.00 176.95 171.85 2ekj s LEU 40 N 8.07 3.87 -0.23 5.86 0.20 -0.87 -1.54 118.68 134.03 2ekj s LEU 40 Ca 0.98 0.24 -0.04 0.00 0.69 0.00 0.00 54.13 56.00 2ekj s LEU 40 Cb -0.32 -1.92 0.09 0.00 -0.43 0.00 0.00 46.19 43.61 2ekj s LEU 40 CO 0.35 0.37 0.13 0.42 -0.29 0.00 0.00 176.35 177.33 2ekj s THR 41 N -0.79 -0.12 0.27 3.68 -4.23 0.18 -0.66 115.64 113.97 2ekj s THR 41 Ca 0.13 -0.43 0.06 0.00 -1.18 0.00 0.00 61.69 60.26 2ekj s THR 41 Cb -0.12 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.91 2ekj s THR 41 CO 0.03 -0.48 0.32 -0.72 -0.54 0.00 0.00 174.62 173.23 2ekj s TYR 42 N 2.15 3.22 -0.07 3.99 1.13 -1.13 -0.09 117.35 126.55 2ekj s TYR 42 Ca 0.06 -0.12 -0.32 0.00 -1.41 0.00 0.00 57.07 55.28 2ekj s TYR 42 Cb -0.16 -1.62 0.12 0.00 -1.10 0.00 0.00 41.96 39.20 2ekj s TYR 42 CO -0.23 0.36 1.16 0.00 -2.51 0.00 0.00 175.55 174.33 2ekj s ALA 43 N -2.10 -2.04 -0.62 9.51 0.00 -0.89 -1.53 121.76 124.10 2ekj s ALA 43 Ca 0.36 1.08 -0.26 0.00 0.00 0.00 0.00 51.96 53.14 2ekj s ALA 43 Cb -0.08 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2ekj s ALA 43 CO 0.28 -0.79 1.86 -1.25 0.00 0.00 0.00 175.76 175.85 2ekj s PRO 44 N -2.62 2.63 0.45 0.00 0.04 -1.26 0.36 135.00 134.60 2ekj s PRO 44 Ca 0.10 0.59 0.26 0.00 0.04 0.00 0.00 61.00 62.00 2ekj s PRO 44 Cb 0.01 -4.40 1.29 0.00 0.04 0.00 0.00 34.50 31.44 2ekj s PRO 44 CO -0.04 -2.74 1.78 0.00 0.04 0.00 0.00 177.00 176.04 2ekj h ALA 45 N 14.90 2.59 -0.43 8.56 0.00 -1.90 0.25 119.26 143.23 2ekj h ALA 45 Ca -0.26 0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.40 2ekj h ALA 45 Cb 1.16 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.88 2ekj h ALA 45 CO 1.22 -0.98 0.37 0.43 0.00 0.00 0.00 179.25 180.29 2ekj n SER 46 N -4.46 5.87 -2.99 0.00 7.64 -1.26 -4.90 113.62 113.52 2ekj n SER 46 Ca 0.26 -2.96 -0.25 0.00 1.01 0.00 0.00 58.87 56.93 2ekj n SER 46 Cb 1.04 -1.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.26 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 0.34 -0.21 1.77 0.23 0.00 0.89 -4.88 105.19 103.34 2ekj n GLY 47 Ca 0.27 0.70 -0.11 0.00 0.00 0.00 0.00 46.02 46.88 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 -0.75 3.61 0.00 0.99 4.77 -1.24 -5.08 117.00 119.29 2ekj n LEU 48 Ca -0.12 -4.09 0.00 0.00 -0.03 0.00 0.00 56.01 51.77 2ekj n LEU 48 Cb 0.49 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2ekj n LEU 48 CO 0.41 1.66 0.00 0.61 -1.33 0.00 0.00 177.39 178.75 2ekj n GLY 49 N -0.71 0.75 2.45 -0.72 0.00 -1.26 -4.93 105.19 100.77 2ekj n GLY 49 Ca 0.30 -2.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 2ekj n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ekj n PRO 50 N -0.20 -2.52 -4.78 1.61 -0.04 -1.26 -4.77 135.00 123.03 2ekj n PRO 50 Ca 0.00 -1.22 -0.31 0.00 -0.04 0.00 0.00 63.50 61.93 2ekj n PRO 50 Cb 0.00 -1.15 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 2ekj n PRO 50 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2ekj s GLU 51 N -4.74 1.98 0.53 0.54 1.03 -1.26 -4.49 118.70 112.29 2ekj s GLU 51 Ca 0.50 -1.02 0.07 0.00 0.03 0.00 0.00 54.97 54.54 2ekj s GLU 51 Cb -0.05 -2.11 0.04 0.00 -0.80 0.00 0.00 34.13 31.22 2ekj s GLU 51 CO 0.38 0.53 0.51 0.15 -1.33 0.00 0.00 175.26 175.50 2ekj s LYS 52 N -1.31 2.31 -0.22 -4.83 -0.14 -0.58 -5.02 119.74 109.94 2ekj s LYS 52 Ca 0.13 -1.85 -0.09 0.00 -1.36 0.00 0.00 55.97 52.80 2ekj s LYS 52 Cb -0.10 -2.29 0.09 0.00 -1.68 0.00 0.00 37.83 33.85 2ekj s LYS 52 CO 0.04 -0.62 0.50 -1.12 -0.76 0.00 0.00 175.35 173.39 2ekj s SER 53 N -4.36 -0.60 -0.05 2.83 0.01 -1.26 -2.83 113.70 107.43 2ekj s SER 53 Ca 0.44 1.16 0.05 0.00 1.31 0.00 0.00 55.95 58.91 2ekj s SER 53 Cb -0.03 1.40 -0.01 0.00 0.21 0.00 0.00 66.02 67.59 2ekj s SER 53 CO 0.27 -0.22 -0.21 0.68 0.41 0.00 0.00 173.24 174.16 2ekj s VAL 54 N 2.22 1.78 0.26 3.43 -7.23 0.17 -4.98 120.40 116.05 2ekj s VAL 54 Ca -0.06 -0.91 -0.26 0.00 -1.81 0.00 0.00 61.98 58.94 2ekj s VAL 54 Cb -0.10 -1.51 -0.09 0.00 0.56 0.00 0.00 36.38 35.23 2ekj s VAL 54 CO -0.15 0.50 0.89 -0.55 -0.31 0.00 0.00 175.10 175.48 2ekj s SER 55 N -0.05 7.41 -0.02 4.85 0.15 -1.26 -2.04 113.70 122.74 2ekj s SER 55 Ca -0.04 1.79 0.04 0.00 0.70 0.00 0.00 55.95 58.44 2ekj s SER 55 Cb -0.13 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.61 2ekj s SER 55 CO 0.03 0.06 -0.14 -0.69 1.20 0.00 0.00 173.24 173.70 2ekj s VAL 56 N -1.40 1.13 -0.32 4.45 1.01 -1.16 -4.95 120.40 119.15 2ekj s VAL 56 Ca 0.44 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 2ekj s VAL 56 Cb -0.21 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.20 2ekj s VAL 56 CO 0.26 0.32 1.68 -2.16 0.00 0.00 0.00 175.10 175.21 2ekj s PRO 57 N -0.19 3.48 0.27 2.72 0.04 -1.26 -1.42 135.00 138.65 2ekj s PRO 57 Ca 0.03 1.38 0.09 0.00 0.04 0.00 0.00 61.00 62.54 2ekj s PRO 57 Cb -0.07 -4.13 0.85 0.00 0.04 0.00 0.00 34.50 31.19 2ekj s PRO 57 CO 0.00 -1.67 1.25 0.41 0.04 0.00 0.00 177.00 177.03 2ekj n GLY 58 N 5.20 -0.83 0.26 0.56 0.00 -1.23 0.18 105.19 109.31 2ekj n GLY 58 Ca 0.21 0.71 0.17 0.00 0.00 0.00 0.00 46.02 47.11 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 -2.82 0.57 -2.69 4.61 0.00 -1.26 -4.14 120.51 114.78 2ekj n ALA 59 Ca 0.25 0.80 -0.34 0.00 0.00 0.00 0.00 53.44 54.15 2ekj n ALA 59 Cb 0.83 -0.68 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 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 -5.45 2.90 -0.48 0.00 1.70 0.13 -5.01 118.95 112.73 2ekj s ARG 60 Ca -0.09 -0.51 0.03 0.00 -0.47 0.00 0.00 55.73 54.69 2ekj s ARG 60 Cb 0.24 -2.74 0.58 0.00 -0.57 0.00 0.00 34.95 32.46 2ekj s ARG 60 CO 0.60 0.66 1.86 -1.13 -1.08 0.00 0.00 175.30 176.20 2ekj n SER 61 N 1.67 4.67 -3.50 -2.89 3.41 -1.26 -4.72 113.62 111.00 2ekj n SER 61 Ca -0.16 -3.69 -0.12 0.00 -0.26 0.00 0.00 58.87 54.64 2ekj n SER 61 Cb 0.53 -0.83 -0.04 0.00 -0.26 0.00 0.00 64.21 63.62 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 -3.45 -0.48 0.03 7.33 0.00 -1.26 -1.93 115.29 115.53 2ekj s HIS 62 Ca 0.57 0.56 -0.28 0.00 -3.00 0.00 0.00 55.06 52.92 2ekj s HIS 62 Cb 0.47 0.49 0.07 0.00 -4.00 0.00 0.00 32.58 29.62 2ekj s HIS 62 CO 0.06 -0.61 0.67 0.54 -1.00 0.00 0.00 174.74 174.40 2ekj s VAL 63 N -2.41 0.00 -0.13 -5.38 0.11 -0.62 -4.98 120.40 106.98 2ekj s VAL 63 Ca -0.02 0.00 -0.05 0.00 -2.93 0.00 0.00 61.98 58.98 2ekj s VAL 63 Cb -0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2ekj s VAL 63 CO -0.03 0.00 0.05 -0.89 -3.33 0.00 0.00 175.10 170.89 2ekj s THR 64 N -2.31 4.67 -0.61 5.04 2.01 -1.26 -2.28 115.64 120.90 2ekj s THR 64 Ca -0.05 -0.09 -0.10 0.00 0.31 0.00 0.00 61.69 61.75 2ekj s THR 64 Cb -0.00 -3.04 0.16 0.00 0.01 0.00 0.00 72.50 69.62 2ekj s THR 64 CO -0.00 0.54 0.50 -0.76 -0.69 0.00 0.00 174.62 174.21 2ekj s LEU 65 N -0.33 5.96 1.24 4.42 1.43 -0.62 -4.93 118.68 125.86 2ekj s LEU 65 Ca 0.08 -2.31 -0.21 0.00 -1.03 0.00 0.00 54.13 50.67 2ekj s LEU 65 Cb -0.12 -2.06 0.30 0.00 0.03 0.00 0.00 46.19 44.35 2ekj s LEU 65 CO 0.02 -0.61 1.11 -2.16 0.23 0.00 0.00 176.35 174.94 2ekj s PRO 66 N 0.76 -1.52 -1.15 1.29 0.04 -1.26 -2.06 135.00 131.10 2ekj s PRO 66 Ca 0.11 -0.18 -0.04 0.00 0.04 0.00 0.00 61.00 60.93 2ekj s PRO 66 Cb -0.21 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.73 2ekj s PRO 66 CO -0.03 -3.89 0.91 -3.47 0.04 0.00 0.00 177.00 170.56 2ekj n ASP 67 N -4.86 -4.02 -4.59 6.66 2.03 0.20 -4.82 116.55 107.15 2ekj n ASP 67 Ca 0.15 -0.72 -0.27 0.00 0.52 0.00 0.00 54.79 54.47 2ekj n ASP 67 Cb 0.60 -4.86 -0.11 0.00 -0.72 0.00 0.00 41.12 36.03 2ekj n ASP 67 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2ekj s LEU 68 N -6.03 2.79 0.50 -2.67 1.43 0.75 -4.96 118.68 110.49 2ekj s LEU 68 Ca 0.22 -1.33 0.08 0.00 -1.03 0.00 0.00 54.13 52.08 2ekj s LEU 68 Cb -0.04 -0.87 0.04 0.00 0.03 0.00 0.00 46.19 45.35 2ekj s LEU 68 CO 0.76 -0.41 0.60 -1.10 0.23 0.00 0.00 176.35 176.43 2ekj s GLN 69 N -3.70 2.47 0.11 1.70 -1.52 -1.25 -4.02 119.66 113.45 2ekj s GLN 69 Ca 0.34 -1.58 0.02 0.00 -1.95 0.00 0.00 55.36 52.19 2ekj s GLN 69 Cb 0.08 -2.54 -0.04 0.00 -0.22 0.00 0.00 33.01 30.29 2ekj s GLN 69 CO 0.17 -0.56 0.19 0.00 -0.25 0.00 0.00 175.29 174.84 2ekj s ALA 70 N -2.57 3.81 -1.45 6.09 0.00 -1.24 -4.45 121.76 121.95 2ekj s ALA 70 Ca 0.53 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.39 2ekj s ALA 70 Cb -0.06 -1.63 0.05 0.00 0.00 0.00 0.00 23.12 21.48 2ekj s ALA 70 CO 0.33 0.66 0.73 0.00 0.00 0.00 0.00 175.76 177.48 2ekj n ALA 71 N -0.05 -1.12 -3.39 0.00 0.00 -1.25 -4.93 120.51 109.77 2ekj n ALA 71 Ca -0.07 0.21 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 2ekj n ALA 71 Cb 0.53 -3.89 -0.09 0.00 0.00 0.00 0.00 19.45 16.00 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 -3.15 -0.49 1.28 0.00 2.01 -1.26 -4.86 115.64 109.17 2ekj s THR 72 Ca 0.46 -0.24 -0.18 0.00 0.31 0.00 0.00 61.69 62.05 2ekj s THR 72 Cb -0.23 -0.87 0.32 0.00 0.01 0.00 0.00 72.50 71.74 2ekj s THR 72 CO 0.57 -0.27 0.99 -1.59 -0.69 0.00 0.00 174.62 173.63 2ekj s LYS 73 N 2.45 -1.85 -0.19 4.92 0.00 -1.26 -3.29 119.74 120.52 2ekj s LYS 73 Ca 0.10 0.45 -0.06 0.00 0.00 0.00 0.00 55.97 56.45 2ekj s LYS 73 Cb -0.15 -1.48 0.09 0.00 0.00 0.00 0.00 37.83 36.30 2ekj s LYS 73 CO -0.22 -4.24 0.39 0.71 0.00 0.00 0.00 175.35 171.99 2ekj s TYR 74 N -2.43 -0.75 -0.54 1.78 1.51 -1.23 -4.32 117.35 111.39 2ekj s TYR 74 Ca 0.69 1.40 -0.26 0.00 -1.01 0.00 0.00 57.07 57.88 2ekj s TYR 74 Cb -0.19 0.24 -0.05 0.00 -0.11 0.00 0.00 41.96 41.85 2ekj s TYR 74 CO 0.61 -0.48 2.14 0.50 -1.11 0.00 0.00 175.55 177.21 2ekj s ARG 75 N 2.58 2.39 -0.48 -0.62 3.52 0.16 -4.01 118.95 122.49 2ekj s ARG 75 Ca -0.00 1.06 -0.21 0.00 -0.13 0.00 0.00 55.73 56.46 2ekj s ARG 75 Cb -0.12 -4.48 0.04 0.00 -1.56 0.00 0.00 34.95 28.82 2ekj s ARG 75 CO -0.12 -2.98 0.67 0.08 -0.81 0.00 0.00 175.30 172.14 2ekj s VAL 76 N 10.60 4.79 -0.29 7.11 1.01 -0.20 -2.08 120.40 141.34 2ekj s VAL 76 Ca 0.84 -0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.62 2ekj s VAL 76 Cb -0.15 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2ekj s VAL 76 CO 0.24 -0.74 0.15 -0.76 0.00 0.00 0.00 175.10 173.99 2ekj s LEU 77 N 2.89 3.99 0.06 3.92 1.02 0.88 -3.08 118.68 128.36 2ekj s LEU 77 Ca 0.21 -0.33 0.07 0.00 0.02 0.00 0.00 54.13 54.10 2ekj s LEU 77 Cb -0.16 -2.03 -0.03 0.00 0.02 0.00 0.00 46.19 43.99 2ekj s LEU 77 CO 0.16 -0.13 -0.16 -0.69 0.02 0.00 0.00 176.35 175.55 2ekj s VAL 78 N 1.66 2.95 -0.04 -1.59 1.01 -1.04 0.52 120.40 123.86 2ekj s VAL 78 Ca 0.06 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.81 2ekj s VAL 78 Cb -0.16 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 33.96 2ekj s VAL 78 CO 0.07 0.28 0.09 -0.44 0.00 0.00 0.00 175.10 175.10 2ekj s SER 79 N -1.64 -0.05 -0.06 3.32 0.01 -0.59 -2.25 113.70 112.44 2ekj s SER 79 Ca 0.16 0.18 -0.29 0.00 1.31 0.00 0.00 55.95 57.31 2ekj s SER 79 Cb -0.11 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.20 2ekj s SER 79 CO 0.07 -0.11 0.96 0.00 0.41 0.00 0.00 173.24 174.57 2ekj s ALA 80 N 0.88 3.30 0.03 1.44 0.00 -1.26 -2.08 121.76 124.08 2ekj s ALA 80 Ca -0.07 0.41 -0.09 0.00 0.00 0.00 0.00 51.96 52.21 2ekj s ALA 80 Cb -0.09 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 2ekj s ALA 80 CO -0.04 -0.41 0.33 0.42 0.00 0.00 0.00 175.76 176.06 2ekj s ILE 81 N 1.50 5.20 0.22 0.00 1.09 -0.98 -0.56 121.20 127.68 2ekj s ILE 81 Ca 0.48 0.34 -0.00 0.00 -1.10 0.00 0.00 60.65 60.38 2ekj s ILE 81 Cb -0.19 -3.61 -0.04 0.00 -1.06 0.00 0.00 42.46 37.56 2ekj s ILE 81 CO 0.22 0.36 0.13 -0.31 -0.10 0.00 0.00 174.94 175.24 2ekj s TYR 82 N -1.31 1.27 0.20 3.97 2.02 -0.98 -2.56 117.35 119.96 2ekj s TYR 82 Ca 0.29 -1.34 -0.10 0.00 -0.37 0.00 0.00 57.07 55.54 2ekj s TYR 82 Cb -0.14 -0.65 0.22 0.00 -0.40 0.00 0.00 41.96 41.00 2ekj s TYR 82 CO 0.16 -0.58 1.79 0.00 -1.57 0.00 0.00 175.55 175.35 2ekj h ALA 83 N 2.54 0.81 -0.00 3.71 0.00 -1.99 -2.91 119.26 121.42 2ekj h ALA 83 Ca -0.36 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 2ekj h ALA 83 Cb 1.25 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.97 2ekj h ALA 83 CO 0.54 -0.03 -0.38 0.00 0.00 0.00 0.00 179.25 179.37 2ekj h ALA 84 N 1.34 0.05 0.00 0.00 0.00 -1.98 -3.49 119.26 115.18 2ekj h ALA 84 Ca 0.28 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2ekj h ALA 84 Cb 0.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2ekj h ALA 84 CO -0.20 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.65 2ekj n GLY 85 N 1.06 0.47 3.84 0.00 0.00 -1.10 -5.16 105.19 104.31 2ekj n GLY 85 Ca -0.10 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 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 3.99 1.00 1.61 1.70 -1.26 -2.33 118.95 121.66 2ekj s ARG 86 Ca 0.00 0.52 -0.16 0.00 -0.47 0.00 0.00 55.73 55.62 2ekj s ARG 86 Cb 0.00 -2.85 0.21 0.00 -0.57 0.00 0.00 34.95 31.74 2ekj s ARG 86 CO 0.00 0.42 1.26 -1.54 -1.08 0.00 0.00 175.30 174.36 2ekj s SER 87 N -1.84 2.76 1.09 -2.89 1.04 0.28 -4.96 113.70 109.18 2ekj s SER 87 Ca 0.41 0.41 -0.15 0.00 0.48 0.00 0.00 55.95 57.11 2ekj s SER 87 Cb -0.14 -0.56 0.23 0.00 0.10 0.00 0.00 66.02 65.65 2ekj s SER 87 CO 0.20 -2.97 0.51 -1.84 0.98 0.00 0.00 173.24 170.12 2ekj n GLU 88 N -3.95 -2.24 -5.08 4.02 0.28 -1.26 -4.53 120.64 107.88 2ekj n GLU 88 Ca 0.14 -0.86 -0.32 0.00 -0.16 0.00 0.00 57.16 55.96 2ekj n GLU 88 Cb 0.60 -1.46 -0.17 0.00 1.43 0.00 0.00 31.44 31.84 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 2.25 -0.25 -1.84 0.00 -1.26 -4.45 121.76 114.14 2ekj s ALA 89 Ca 0.39 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 2ekj s ALA 89 Cb -0.07 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 2ekj s ALA 89 CO 0.33 0.24 0.10 0.14 0.00 0.00 0.00 175.76 176.58 2ekj s VAL 90 N 0.41 4.67 0.51 0.00 -7.23 -0.96 -4.92 120.40 112.88 2ekj s VAL 90 Ca -0.16 -0.05 -0.02 0.00 -1.81 0.00 0.00 61.98 59.94 2ekj s VAL 90 Cb -0.17 -3.19 0.01 0.00 0.56 0.00 0.00 36.38 33.58 2ekj s VAL 90 CO 0.07 0.33 0.77 -0.44 -0.31 0.00 0.00 175.10 175.52 2ekj s SER 91 N 1.50 5.67 -0.29 4.85 0.01 -1.26 -2.50 113.70 121.67 2ekj s SER 91 Ca 0.06 0.41 -0.16 0.00 1.31 0.00 0.00 55.95 57.57 2ekj s SER 91 Cb -0.15 -1.52 0.17 0.00 0.21 0.00 0.00 66.02 64.73 2ekj s SER 91 CO 0.05 -0.89 1.08 0.00 0.41 0.00 0.00 173.24 173.89 2ekj s ALA 92 N -2.74 -2.43 -0.08 1.44 0.00 -1.18 -4.93 121.76 111.84 2ekj s ALA 92 Ca 0.51 2.12 -0.09 0.00 0.00 0.00 0.00 51.96 54.51 2ekj s ALA 92 Cb -0.10 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 2ekj s ALA 92 CO 0.41 -0.35 0.21 0.95 0.00 0.00 0.00 175.76 176.98 2ekj s THR 93 N 1.26 5.38 -0.29 0.00 -4.23 -1.26 -1.03 115.64 115.47 2ekj s THR 93 Ca -0.09 0.35 0.01 0.00 -1.18 0.00 0.00 61.69 60.78 2ekj s THR 93 Cb -0.03 -3.49 0.15 0.00 1.34 0.00 0.00 72.50 70.47 2ekj s THR 93 CO -0.13 0.59 0.36 -0.83 -0.54 0.00 0.00 174.62 174.07 2ekj s GLY 94 N -1.11 -0.40 0.14 3.99 0.00 -1.26 -4.82 107.32 103.87 2ekj s GLY 94 Ca 0.18 0.03 -0.35 0.00 0.00 0.00 0.00 44.72 44.59 2ekj s GLY 94 CO 0.07 2.87 1.47 -0.18 0.00 0.00 0.00 173.10 177.34 2ekj n GLN 95 N 5.34 1.77 -0.42 2.90 7.27 -1.26 -3.47 117.38 129.51 2ekj n GLN 95 Ca -0.01 0.64 -0.22 0.00 0.07 0.00 0.00 57.00 57.48 2ekj n GLN 95 Cb 0.48 -2.34 0.20 0.00 2.41 0.00 0.00 30.24 30.98 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 2.91 0.00 -2.76 1.69 -2.24 -1.21 -4.74 114.28 107.93 2ekj n THR 96 Ca 0.17 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 2ekj n THR 96 Cb 0.26 -0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 67.55 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 -2.49 3.57 0.08 6.98 0.00 -1.26 -4.14 121.76 124.50 2ekj s ALA 97 Ca 0.49 0.14 -0.24 0.00 0.00 0.00 0.00 51.96 52.35 2ekj s ALA 97 Cb -0.07 -3.40 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 2ekj s ALA 97 CO 0.40 -0.83 0.73 0.00 0.00 0.00 0.00 175.76 176.06 2ekj h PRO 99 N 5.13 0.32 -2.36 0.00 0.13 -1.95 -3.46 132.00 129.81 2ekj h PRO 99 Ca -0.46 -0.17 -0.07 0.00 -0.87 0.00 0.00 66.00 64.43 2ekj h PRO 99 Cb 1.21 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 2ekj h PRO 99 CO 0.68 0.72 -0.09 -1.54 -0.23 0.00 0.00 178.00 177.54 2ekj s SER 100 N -6.09 -0.64 0.11 1.44 1.04 -1.26 -5.17 113.70 103.13 2ekj s SER 100 Ca -0.14 1.16 -0.02 0.00 0.48 0.00 0.00 55.95 57.43 2ekj s SER 100 Cb 0.05 1.12 -0.05 0.00 0.10 0.00 0.00 66.02 67.24 2ekj s SER 100 CO 0.75 -0.20 0.30 -0.83 0.98 0.00 0.00 173.24 174.24 2ekj s GLY 101 N 0.79 2.19 -0.86 7.32 0.00 -1.26 -5.01 107.32 110.47 2ekj s GLY 101 Ca -0.04 -0.70 -0.25 0.00 0.00 0.00 0.00 44.72 43.73 2ekj s GLY 101 CO -0.06 -0.65 1.94 2.56 0.00 0.00 0.00 173.10 176.89 2ekj s PRO 102 N -2.64 2.56 -0.04 2.90 0.04 -1.26 -4.91 135.00 131.65 2ekj s PRO 102 Ca 0.38 -0.17 -0.01 0.00 0.04 0.00 0.00 61.00 61.24 2ekj s PRO 102 Cb -0.12 -4.97 0.03 0.00 0.04 0.00 0.00 34.50 29.47 2ekj s PRO 102 CO 0.26 -3.30 0.03 0.45 0.04 0.00 0.00 177.00 174.48 2ekj s SER 103 N 8.07 0.80 -0.47 6.66 0.15 -1.26 -5.11 113.70 122.54 2ekj s SER 103 Ca 0.70 0.03 -0.15 0.00 0.70 0.00 0.00 55.95 57.23 2ekj s SER 103 Cb -0.07 -0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.13 2ekj s SER 103 CO 0.02 -0.19 0.39 -0.44 1.20 0.00 0.00 173.24 174.22 2ekj s SER 104 N 1.67 6.12 0.00 5.45 0.01 -1.26 -5.28 113.70 120.42 2ekj s SER 104 Ca -0.01 -1.33 0.00 0.00 1.31 0.00 0.00 55.95 55.92 2ekj s SER 104 Cb -0.13 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.93 2ekj s SER 104 CO -0.03 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.59