#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 4.38 0.05 1.61 0.01 -1.26 -5.09 113.70 113.40 2ekj s SER 2 Ca 0.00 -0.21 -0.28 0.00 1.31 0.00 0.00 55.95 56.77 2ekj s SER 2 Cb 0.00 -1.57 0.09 0.00 0.21 0.00 0.00 66.02 64.75 2ekj s SER 2 CO 0.00 0.20 1.05 -0.55 0.41 0.00 0.00 173.24 174.35 2ekj s SER 3 N 0.15 -0.18 0.00 2.44 0.15 -1.26 -5.18 113.70 109.82 2ekj s SER 3 Ca -0.04 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2ekj s SER 3 Cb -0.14 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 2ekj s SER 3 CO 0.04 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.45 2ekj n GLY 4 N -0.40 -0.94 3.26 9.45 0.00 -1.26 -5.18 105.19 110.13 2ekj n GLY 4 Ca -0.07 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 2ekj n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ekj s SER 5 N -4.00 -0.04 1.13 1.61 0.01 -1.26 -5.16 113.70 106.00 2ekj s SER 5 Ca 0.00 -0.52 -0.12 0.00 1.31 0.00 0.00 55.95 56.62 2ekj s SER 5 Cb 0.00 0.40 0.27 0.00 0.21 0.00 0.00 66.02 66.90 2ekj s SER 5 CO 0.00 -0.79 1.04 -0.55 0.41 0.00 0.00 173.24 173.35 2ekj s SER 6 N -2.84 1.19 0.00 2.44 0.15 -1.26 -4.86 113.70 108.53 2ekj s SER 6 Ca 0.05 1.61 0.00 0.00 0.70 0.00 0.00 55.95 58.31 2ekj s SER 6 Cb 0.03 -2.34 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 2ekj s SER 6 CO -0.11 -4.08 0.00 0.61 1.20 0.00 0.00 173.24 170.86 2ekj n GLY 7 N 0.72 -1.29 3.76 9.45 0.00 -1.26 -5.13 105.19 111.45 2ekj n GLY 7 Ca 0.04 0.47 -0.39 0.00 0.00 0.00 0.00 46.02 46.14 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 4.49 -0.14 1.61 0.52 -1.26 -4.94 118.95 119.22 2ekj s ARG 8 Ca 0.00 1.74 0.00 0.00 -0.52 0.00 0.00 55.73 56.96 2ekj s ARG 8 Cb 0.00 -3.00 0.03 0.00 0.52 0.00 0.00 34.95 32.50 2ekj s ARG 8 CO 0.00 0.09 -0.10 0.45 0.02 0.00 0.00 175.30 175.75 2ekj s SER 9 N -1.05 2.61 0.72 0.23 0.15 -1.26 -4.95 113.70 110.15 2ekj s SER 9 Ca 0.48 -0.49 -0.12 0.00 0.70 0.00 0.00 55.95 56.52 2ekj s SER 9 Cb -0.30 -1.04 0.03 0.00 -1.71 0.00 0.00 66.02 63.01 2ekj s SER 9 CO 0.38 -0.10 1.10 -2.16 1.20 0.00 0.00 173.24 173.66 2ekj s PRO 10 N 1.57 2.49 -0.06 5.44 0.04 -1.26 -4.69 135.00 138.52 2ekj s PRO 10 Ca 0.04 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.05 2ekj s PRO 10 Cb -0.13 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2ekj s PRO 10 CO -0.09 -1.48 1.50 -1.25 0.04 0.00 0.00 177.00 175.72 2ekj s PRO 11 N -4.54 4.22 0.52 0.56 0.04 -1.26 -4.86 135.00 129.68 2ekj s PRO 11 Ca 0.64 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.73 2ekj s PRO 11 Cb -0.19 -3.82 0.02 0.00 0.04 0.00 0.00 34.50 30.55 2ekj s PRO 11 CO 0.50 -0.74 0.28 -1.12 0.04 0.00 0.00 177.00 175.95 2ekj s SER 12 N 2.62 4.49 -1.31 6.66 0.01 -1.25 -4.72 113.70 120.20 2ekj s SER 12 Ca 0.66 -1.34 -0.05 0.00 1.31 0.00 0.00 55.95 56.53 2ekj s SER 12 Cb -0.30 0.38 0.01 0.00 0.21 0.00 0.00 66.02 66.31 2ekj s SER 12 CO 0.25 -0.99 0.66 0.59 0.41 0.00 0.00 173.24 174.15 2ekj n ASN 13 N -1.59 -5.63 -4.68 2.44 3.02 -1.26 -1.01 115.26 106.56 2ekj n ASN 13 Ca -0.06 -0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 53.76 2ekj n ASN 13 Cb 0.65 -4.40 -0.03 0.00 -0.61 0.00 0.00 39.78 35.38 2ekj n ASN 13 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ekj n LEU 14 N -3.76 4.09 -3.82 3.41 4.77 -1.26 -4.46 117.00 115.97 2ekj n LEU 14 Ca -0.07 0.94 -0.30 0.00 -0.03 0.00 0.00 56.01 56.56 2ekj n LEU 14 Cb 0.59 -1.53 -0.15 0.00 -2.33 0.00 0.00 43.42 40.00 2ekj n LEU 14 CO 0.45 0.18 -0.36 0.00 -1.33 0.00 0.00 177.39 176.33 2ekj s ALA 15 N 3.62 1.68 -0.38 -1.18 0.00 -0.96 -5.02 121.76 119.53 2ekj s ALA 15 Ca 0.86 -1.47 -0.24 0.00 0.00 0.00 0.00 51.96 51.11 2ekj s ALA 15 Cb -0.46 -1.52 0.01 0.00 0.00 0.00 0.00 23.12 21.15 2ekj s ALA 15 CO 0.40 -1.44 0.81 -0.51 0.00 0.00 0.00 175.76 175.02 2ekj s LEU 16 N 1.53 4.12 -0.19 0.00 1.02 -1.26 -2.42 118.68 121.48 2ekj s LEU 16 Ca 0.03 0.32 -0.02 0.00 0.02 0.00 0.00 54.13 54.48 2ekj s LEU 16 Cb -0.18 -3.05 -0.01 0.00 0.02 0.00 0.00 46.19 42.97 2ekj s LEU 16 CO -0.15 -0.78 -0.09 0.00 0.02 0.00 0.00 176.35 175.35 2ekj s ALA 17 N 3.20 2.68 -0.34 4.21 0.00 0.19 -4.94 121.76 126.75 2ekj s ALA 17 Ca 0.32 -1.10 -0.14 0.00 0.00 0.00 0.00 51.96 51.05 2ekj s ALA 17 Cb -0.13 -1.48 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 2ekj s ALA 17 CO 0.18 -0.23 0.28 0.45 0.00 0.00 0.00 175.76 176.45 2ekj s SER 18 N 1.13 6.10 -0.20 0.00 0.15 -1.26 0.29 113.70 119.92 2ekj s SER 18 Ca 0.01 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.37 2ekj s SER 18 Cb -0.14 -2.16 -0.17 0.00 -1.71 0.00 0.00 66.02 61.83 2ekj s SER 18 CO -0.03 -0.28 -0.08 -0.62 1.20 0.00 0.00 173.24 173.44 2ekj n GLU 19 N 5.20 0.84 -4.28 5.44 -0.58 -1.26 -4.72 120.64 121.29 2ekj n GLU 19 Ca -0.11 0.07 -0.18 0.00 -0.42 0.00 0.00 57.16 56.51 2ekj n GLU 19 Cb 0.50 -1.44 -0.13 0.00 -0.57 0.00 0.00 31.44 29.79 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 -2.43 0.95 -2.00 2.62 -1.32 -1.23 -4.98 115.64 107.25 2ekj s THR 20 Ca -0.20 -0.94 0.07 0.00 -1.21 0.00 0.00 61.69 59.40 2ekj s THR 20 Cb 0.06 -0.88 0.19 0.00 -1.51 0.00 0.00 72.50 70.36 2ekj s THR 20 CO 0.60 -0.05 0.84 -0.81 -2.21 0.00 0.00 174.62 172.98 2ekj n PRO 21 N 1.92 0.49 0.00 7.08 -0.04 -1.26 -1.73 135.00 141.45 2ekj n PRO 21 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2ekj n PRO 21 Cb 0.55 -1.21 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 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 -0.71 0.40 -3.75 3.54 8.00 -1.26 -2.98 116.55 119.80 2ekj n ASP 22 Ca 0.05 -0.70 -0.13 0.00 0.71 0.00 0.00 54.79 54.72 2ekj n ASP 22 Cb 0.02 0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 41.53 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 -0.50 -0.24 -0.14 -2.24 0.01 -0.71 0.23 113.70 110.12 2ekj s SER 23 Ca 0.00 0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2ekj s SER 23 Cb 0.00 0.38 0.02 0.00 0.21 0.00 0.00 66.02 66.64 2ekj s SER 23 CO 0.00 -0.41 -0.12 -0.22 0.41 0.00 0.00 173.24 172.90 2ekj s LEU 24 N -1.10 1.49 0.18 2.44 2.96 -1.01 -3.47 118.68 120.16 2ekj s LEU 24 Ca -0.12 -0.42 -0.28 0.00 -0.22 0.00 0.00 54.13 53.10 2ekj s LEU 24 Cb -0.05 -1.05 -0.08 0.00 0.50 0.00 0.00 46.19 45.52 2ekj s LEU 24 CO 0.04 -0.08 0.88 -1.58 -1.32 0.00 0.00 176.35 174.29 2ekj s GLN 25 N 1.57 4.72 -0.02 1.98 0.74 0.15 -2.13 119.66 126.66 2ekj s GLN 25 Ca 0.05 1.35 -0.00 0.00 0.05 0.00 0.00 55.36 56.81 2ekj s GLN 25 Cb -0.13 -3.30 0.03 0.00 1.10 0.00 0.00 33.01 30.71 2ekj s GLN 25 CO -0.10 0.46 0.03 0.54 -0.55 0.00 0.00 175.29 175.67 2ekj s VAL 26 N -0.86 -0.02 0.36 1.34 0.11 -1.17 0.54 120.40 120.70 2ekj s VAL 26 Ca 0.40 0.23 0.04 0.00 -2.93 0.00 0.00 61.98 59.72 2ekj s VAL 26 Cb -0.24 -0.13 -0.06 0.00 -1.53 0.00 0.00 36.38 34.42 2ekj s VAL 26 CO 0.29 0.11 0.05 -0.94 -3.33 0.00 0.00 175.10 171.29 2ekj s SER 27 N 1.23 2.75 0.13 3.54 1.04 -1.02 -2.41 113.70 118.97 2ekj s SER 27 Ca -0.07 -1.42 -0.26 0.00 0.48 0.00 0.00 55.95 54.68 2ekj s SER 27 Cb -0.13 -0.05 0.07 0.00 0.10 0.00 0.00 66.02 66.01 2ekj s SER 27 CO -0.03 -0.63 0.96 -1.66 0.98 0.00 0.00 173.24 172.87 2ekj s TRP 28 N -3.17 -0.15 -0.41 5.02 -2.14 -1.09 -2.26 118.94 114.74 2ekj s TRP 28 Ca 0.34 -0.13 -0.17 0.00 2.66 0.00 0.00 56.10 58.79 2ekj s TRP 28 Cb 0.08 0.63 0.02 0.00 -3.10 0.00 0.00 33.47 31.09 2ekj s TRP 28 CO 0.15 -0.78 0.45 0.99 -2.66 0.00 0.00 176.95 175.11 2ekj s THR 29 N -3.24 5.07 0.26 0.66 2.01 -0.18 -4.86 115.64 115.37 2ekj s THR 29 Ca 0.11 -0.25 -0.29 0.00 0.31 0.00 0.00 61.69 61.57 2ekj s THR 29 Cb -0.01 -4.03 -0.09 0.00 0.01 0.00 0.00 72.50 68.37 2ekj s THR 29 CO 0.01 -0.40 1.26 -2.16 -0.69 0.00 0.00 174.62 172.63 2ekj s PRO 30 N 2.20 4.44 0.47 4.92 0.04 -1.26 -3.79 135.00 142.01 2ekj s PRO 30 Ca 0.13 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.14 2ekj s PRO 30 Cb -0.17 -3.15 0.12 0.00 0.04 0.00 0.00 34.50 31.34 2ekj s PRO 30 CO 0.14 -0.12 0.42 -0.35 0.04 0.00 0.00 177.00 177.13 2ekj n PRO 31 N 1.64 -1.83 0.00 0.56 -0.04 -1.26 -5.01 135.00 129.05 2ekj n PRO 31 Ca 0.02 -0.67 -0.22 0.00 -0.04 0.00 0.00 63.50 62.60 2ekj n PRO 31 Cb 0.43 -0.63 -0.14 0.00 -0.04 0.00 0.00 33.50 33.13 2ekj n PRO 31 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2ekj h LEU 32 N 0.00 0.37 -9.71 1.53 8.10 -1.96 -3.47 115.31 110.18 2ekj h LEU 32 Ca -0.16 -0.85 -0.54 0.00 0.11 0.00 0.00 57.88 56.44 2ekj h LEU 32 Cb 0.48 -0.12 0.08 0.00 -0.44 0.00 0.00 40.66 40.65 2ekj h LEU 32 CO 0.10 1.69 0.88 0.61 -4.11 0.00 0.00 178.44 177.60 2ekj n GLY 33 N 1.78 1.30 3.67 0.17 0.00 -1.26 -4.86 105.19 106.00 2ekj n GLY 33 Ca -0.28 0.53 -0.50 0.00 0.00 0.00 0.00 46.02 45.77 2ekj n GLY 33 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ekj n ARG 34 N 2.73 1.84 -3.91 1.61 0.00 -1.26 -4.95 116.66 112.72 2ekj n ARG 34 Ca 0.12 0.67 -0.35 0.00 -0.00 0.00 0.00 57.85 58.29 2ekj n ARG 34 Cb 0.35 -2.44 -0.14 0.00 0.00 0.00 0.00 32.46 30.23 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 2.79 2.98 0.04 5.15 1.01 -1.26 -4.74 120.40 126.37 2ekj s VAL 35 Ca 0.90 -1.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 2ekj s VAL 35 Cb -0.80 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 2ekj s VAL 35 CO 0.51 -0.10 1.16 -0.07 0.00 0.00 0.00 175.10 176.60 2ekj h LEU 36 N 8.00 -0.54 -8.52 3.92 3.38 -1.78 -3.41 115.31 116.35 2ekj h LEU 36 Ca -0.21 0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.62 2ekj h LEU 36 Cb 1.06 0.22 -0.13 0.00 0.09 0.00 0.00 40.66 41.90 2ekj h LEU 36 CO 0.53 -0.12 -0.50 -1.38 0.09 0.00 0.00 178.44 177.07 2ekj s HIS 37 N -3.77 1.00 -0.32 1.13 -3.43 -1.26 -2.96 115.29 105.68 2ekj s HIS 37 Ca -0.04 -1.24 0.02 0.00 -0.80 0.00 0.00 55.06 53.00 2ekj s HIS 37 Cb 0.02 -0.39 0.08 0.00 -1.43 0.00 0.00 32.58 30.87 2ekj s HIS 37 CO 0.18 -0.74 0.01 0.71 -2.00 0.00 0.00 174.74 172.91 2ekj s TYR 38 N -4.09 3.55 -0.48 0.38 1.51 -1.02 -1.83 117.35 115.38 2ekj s TYR 38 Ca 0.35 -2.63 -0.28 0.00 -1.01 0.00 0.00 57.07 53.51 2ekj s TYR 38 Cb 0.05 -2.58 -0.01 0.00 -0.11 0.00 0.00 41.96 39.31 2ekj s TYR 38 CO 0.12 -0.92 1.72 -0.46 -1.11 0.00 0.00 175.55 174.90 2ekj s TRP 39 N 1.02 1.90 -0.12 2.71 -0.00 -1.03 -3.12 118.94 120.29 2ekj s TRP 39 Ca 0.03 0.67 -0.11 0.00 -0.00 0.00 0.00 56.10 56.69 2ekj s TRP 39 Cb -0.20 -4.18 -0.05 0.00 -0.00 0.00 0.00 33.47 29.05 2ekj s TRP 39 CO -0.06 -2.45 0.24 -1.17 -0.00 0.00 0.00 176.95 173.51 2ekj s LEU 40 N 7.40 4.34 -0.22 5.86 0.20 -0.91 -2.84 118.68 132.50 2ekj s LEU 40 Ca 0.69 0.54 -0.04 0.00 0.69 0.00 0.00 54.13 56.01 2ekj s LEU 40 Cb -0.16 -2.26 0.08 0.00 -0.43 0.00 0.00 46.19 43.42 2ekj s LEU 40 CO 0.27 0.27 0.12 0.42 -0.29 0.00 0.00 176.35 177.14 2ekj s THR 41 N -0.41 -0.10 -0.01 3.68 -4.23 0.16 -0.57 115.64 114.16 2ekj s THR 41 Ca 0.16 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.23 2ekj s THR 41 Cb -0.13 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 72.92 2ekj s THR 41 CO 0.05 -0.47 0.16 -0.72 -0.54 0.00 0.00 174.62 173.10 2ekj s TYR 42 N 2.14 3.48 0.15 3.99 1.13 -1.18 -0.62 117.35 126.42 2ekj s TYR 42 Ca 0.05 0.31 -0.12 0.00 -1.41 0.00 0.00 57.07 55.91 2ekj s TYR 42 Cb -0.16 -1.80 0.01 0.00 -1.10 0.00 0.00 41.96 38.91 2ekj s TYR 42 CO -0.21 0.62 0.33 0.00 -2.51 0.00 0.00 175.55 173.78 2ekj s ALA 43 N -1.29 -0.39 -2.00 9.51 0.00 -0.94 -2.40 121.76 124.25 2ekj s ALA 43 Ca 0.26 -0.55 0.13 0.00 0.00 0.00 0.00 51.96 51.80 2ekj s ALA 43 Cb -0.12 0.74 0.80 0.00 0.00 0.00 0.00 23.12 24.53 2ekj s ALA 43 CO 0.18 -0.64 1.22 -0.35 0.00 0.00 0.00 175.76 176.16 2ekj n PRO 44 N -0.20 0.49 -3.56 0.00 -0.04 -1.26 0.10 135.00 130.52 2ekj n PRO 44 Ca -0.11 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.10 2ekj n PRO 44 Cb 0.63 -1.43 0.06 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.93 -1.24 -0.01 0.55 0.00 -1.26 -4.76 120.51 112.86 2ekj n ALA 45 Ca 0.10 0.34 -0.02 0.00 0.00 0.00 0.00 53.44 53.86 2ekj n ALA 45 Cb 0.05 -4.97 -0.01 0.00 0.00 0.00 0.00 19.45 14.51 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 -2.88 3.69 0.00 0.00 7.64 -1.26 -5.03 113.62 115.78 2ekj n SER 46 Ca -0.00 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2ekj n SER 46 Cb 0.56 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 3.36 2.92 0.31 0.23 0.00 -1.26 -4.83 105.19 105.91 2ekj n GLY 47 Ca -0.05 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 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 0.97-10.12 0.99 8.10 -2.00 -3.43 115.31 109.81 2ekj h LEU 48 Ca 0.00 -0.15 -0.51 0.00 0.11 0.00 0.00 57.88 57.33 2ekj h LEU 48 Cb 0.00 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 39.97 2ekj h LEU 48 CO 0.00 0.85 -0.05 -0.83 -4.11 0.00 0.00 178.44 174.30 2ekj s GLY 49 N -3.20 1.88 0.49 0.17 0.00 -1.26 -5.06 107.32 100.33 2ekj s GLY 49 Ca -0.13 -0.44 -0.22 0.00 0.00 0.00 0.00 44.72 43.94 2ekj s GLY 49 CO 0.81 -0.30 1.15 2.56 0.00 0.00 0.00 173.10 177.33 2ekj s PRO 50 N -3.66 3.61 -0.11 2.90 0.04 -1.26 -4.92 135.00 131.60 2ekj s PRO 50 Ca 0.46 1.72 -0.04 0.00 0.04 0.00 0.00 61.00 63.18 2ekj s PRO 50 Cb -0.11 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2ekj s PRO 50 CO 0.30 -0.67 0.05 -1.83 0.04 0.00 0.00 177.00 174.90 2ekj s GLU 51 N -2.91 3.22 0.75 4.56 -1.05 -1.26 -4.82 118.70 117.18 2ekj s GLU 51 Ca 0.67 -0.32 -0.05 0.00 -0.15 0.00 0.00 54.97 55.12 2ekj s GLU 51 Cb -0.27 -2.95 0.12 0.00 -0.44 0.00 0.00 34.13 30.59 2ekj s GLU 51 CO 0.32 0.68 1.04 0.15 0.95 0.00 0.00 175.26 178.41 2ekj s LYS 52 N -0.80 1.66 -0.27 -4.83 -0.14 -1.01 -4.98 119.74 109.37 2ekj s LYS 52 Ca 0.13 -0.75 -0.03 0.00 -1.36 0.00 0.00 55.97 53.96 2ekj s LYS 52 Cb -0.12 -2.21 0.15 0.00 -1.68 0.00 0.00 37.83 33.97 2ekj s LYS 52 CO 0.03 -1.53 0.49 -1.54 -0.76 0.00 0.00 175.35 172.04 2ekj s SER 53 N -4.69 -0.57 -0.10 2.83 1.04 -1.26 -3.13 113.70 107.83 2ekj s SER 53 Ca 0.66 0.66 -0.02 0.00 0.48 0.00 0.00 55.95 57.73 2ekj s SER 53 Cb -0.07 1.65 -0.03 0.00 0.10 0.00 0.00 66.02 67.67 2ekj s SER 53 CO 0.46 -0.27 0.00 0.68 0.98 0.00 0.00 173.24 175.09 2ekj s VAL 54 N 2.71 4.31 0.31 5.02 -7.23 0.26 -4.96 120.40 120.83 2ekj s VAL 54 Ca 0.13 -0.24 -0.20 0.00 -1.81 0.00 0.00 61.98 59.87 2ekj s VAL 54 Cb -0.15 -2.83 -0.09 0.00 0.56 0.00 0.00 36.38 33.87 2ekj s VAL 54 CO -0.18 0.59 0.82 -0.55 -0.31 0.00 0.00 175.10 175.47 2ekj s SER 55 N -0.73 7.01 -0.02 4.85 0.15 -1.26 -2.14 113.70 121.56 2ekj s SER 55 Ca 0.11 1.51 0.02 0.00 0.70 0.00 0.00 55.95 58.30 2ekj s SER 55 Cb -0.12 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2ekj s SER 55 CO 0.02 -0.13 -0.08 -0.69 1.20 0.00 0.00 173.24 173.55 2ekj s VAL 56 N -1.81 0.71 -0.31 4.45 1.01 -1.18 -4.96 120.40 118.32 2ekj s VAL 56 Ca 0.51 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 2ekj s VAL 56 Cb -0.14 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 2ekj s VAL 56 CO 0.19 0.22 1.67 -2.16 0.00 0.00 0.00 175.10 175.02 2ekj s PRO 57 N 0.10 3.53 0.29 2.72 0.04 -1.26 -2.42 135.00 138.01 2ekj s PRO 57 Ca -0.01 1.42 0.17 0.00 0.04 0.00 0.00 61.00 62.62 2ekj s PRO 57 Cb -0.07 -4.11 1.07 0.00 0.04 0.00 0.00 34.50 31.43 2ekj s PRO 57 CO 0.00 -1.62 1.25 0.41 0.04 0.00 0.00 177.00 177.09 2ekj n GLY 58 N 5.11 -0.60 0.31 0.56 0.00 -1.16 0.17 105.19 109.59 2ekj n GLY 58 Ca 0.20 0.64 0.15 0.00 0.00 0.00 0.00 46.02 47.02 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 -2.41 0.51 -2.82 4.61 0.00 -1.26 -4.37 120.51 114.77 2ekj n ALA 59 Ca 0.30 0.97 -0.23 0.00 0.00 0.00 0.00 53.44 54.48 2ekj n ALA 59 Cb 1.03 -0.73 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 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 -5.82 2.95 -0.33 0.00 1.70 0.13 -5.04 118.95 112.54 2ekj s ARG 60 Ca -0.11 -0.98 0.07 0.00 -0.47 0.00 0.00 55.73 54.23 2ekj s ARG 60 Cb 0.27 -2.61 0.46 0.00 -0.57 0.00 0.00 34.95 32.51 2ekj s ARG 60 CO 0.71 0.43 1.36 -1.13 -1.08 0.00 0.00 175.30 175.59 2ekj n SER 61 N -0.94 4.20 -3.58 -2.89 3.41 -1.26 -4.75 113.62 107.80 2ekj n SER 61 Ca -0.08 -3.79 -0.08 0.00 -0.26 0.00 0.00 58.87 54.66 2ekj n SER 61 Cb 0.57 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 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 -3.49 -0.32 -0.19 7.33 0.00 -1.26 -2.68 115.29 114.67 2ekj s HIS 62 Ca 0.49 0.09 -0.29 0.00 -3.00 0.00 0.00 55.06 52.36 2ekj s HIS 62 Cb 0.42 0.59 0.13 0.00 -4.00 0.00 0.00 32.58 29.71 2ekj s HIS 62 CO 0.01 -0.76 1.02 0.54 -1.00 0.00 0.00 174.74 174.54 2ekj s VAL 63 N -3.40 0.00 -0.14 -5.38 0.11 -1.01 -4.95 120.40 105.63 2ekj s VAL 63 Ca 0.06 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 59.00 2ekj s VAL 63 Cb -0.02 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.79 2ekj s VAL 63 CO -0.06 0.00 0.23 -0.89 -3.33 0.00 0.00 175.10 171.05 2ekj s THR 64 N -0.80 5.35 -0.62 5.04 2.01 -1.26 -3.02 115.64 122.33 2ekj s THR 64 Ca -0.00 0.41 -0.11 0.00 0.31 0.00 0.00 61.69 62.30 2ekj s THR 64 Cb -0.02 -3.54 0.16 0.00 0.01 0.00 0.00 72.50 69.11 2ekj s THR 64 CO -0.01 0.49 0.53 -0.76 -0.69 0.00 0.00 174.62 174.18 2ekj s LEU 65 N -0.18 6.08 1.09 4.42 1.43 -0.91 -4.93 118.68 125.68 2ekj s LEU 65 Ca 0.15 -2.27 -0.15 0.00 -1.03 0.00 0.00 54.13 50.83 2ekj s LEU 65 Cb -0.13 -2.10 0.23 0.00 0.03 0.00 0.00 46.19 44.23 2ekj s LEU 65 CO 0.04 -0.65 1.10 -2.16 0.23 0.00 0.00 176.35 174.91 2ekj s PRO 66 N 0.83 -0.31 -0.90 1.29 0.04 -1.26 -2.42 135.00 132.27 2ekj s PRO 66 Ca 0.11 0.26 -0.01 0.00 0.04 0.00 0.00 61.00 61.40 2ekj s PRO 66 Cb -0.21 -1.67 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 2ekj s PRO 66 CO -0.03 -3.17 0.76 -0.25 0.04 0.00 0.00 177.00 174.35 2ekj n ASP 67 N -4.44 -3.04 -4.66 6.66 8.00 0.13 -4.87 116.55 114.33 2ekj n ASP 67 Ca 0.08 -0.50 -0.30 0.00 0.71 0.00 0.00 54.79 54.78 2ekj n ASP 67 Cb 0.58 -4.12 -0.09 0.00 -0.02 0.00 0.00 41.12 37.48 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 -5.24 2.51 0.00 0.64 1.43 0.39 -4.98 118.68 113.43 2ekj s LEU 68 Ca 0.10 -1.53 -0.02 0.00 -1.03 0.00 0.00 54.13 51.65 2ekj s LEU 68 Cb -0.01 -0.76 0.08 0.00 0.03 0.00 0.00 46.19 45.53 2ekj s LEU 68 CO 0.57 -0.68 0.50 0.00 0.23 0.00 0.00 176.35 176.97 2ekj n GLN 69 N -1.11 0.07 -0.09 1.70 1.13 -1.24 -4.00 117.38 113.84 2ekj n GLN 69 Ca -0.12 -1.19 -0.10 0.00 -1.94 0.00 0.00 57.00 53.65 2ekj n GLN 69 Cb 0.67 -0.39 -0.12 0.00 0.11 0.00 0.00 30.24 30.51 2ekj n GLN 69 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ekj n ALA 70 N -3.06 1.57 -3.25 -1.58 0.00 -1.16 -4.05 120.51 108.98 2ekj n ALA 70 Ca -0.08 -1.06 -0.25 0.00 0.00 0.00 0.00 53.44 52.05 2ekj n ALA 70 Cb 0.27 -0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 2ekj n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ekj n ALA 71 N -2.78 2.88 -3.33 0.00 0.00 -1.26 -1.16 120.51 114.85 2ekj n ALA 71 Ca -0.31 -3.78 -0.13 0.00 0.00 0.00 0.00 53.44 49.22 2ekj n ALA 71 Cb 1.01 -0.84 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 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 -1.57 0.00 0.26 0.00 2.01 -1.26 -4.88 115.64 110.20 2ekj s THR 72 Ca 0.37 -0.02 -0.20 0.00 0.31 0.00 0.00 61.69 62.15 2ekj s THR 72 Cb 0.17 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.97 2ekj s THR 72 CO -0.08 -0.01 0.76 -0.54 -0.69 0.00 0.00 174.62 174.06 2ekj s LYS 73 N 0.14 4.25 -0.16 4.92 3.01 -1.26 -1.88 119.74 128.76 2ekj s LYS 73 Ca -0.01 0.90 -0.03 0.00 -1.01 0.00 0.00 55.97 55.83 2ekj s LYS 73 Cb -0.03 -2.76 0.05 0.00 -1.01 0.00 0.00 37.83 34.08 2ekj s LYS 73 CO 0.01 0.32 0.04 0.71 0.51 0.00 0.00 175.35 176.94 2ekj s TYR 74 N -1.64 0.78 -0.67 3.18 1.51 -1.26 -4.56 117.35 114.69 2ekj s TYR 74 Ca 0.47 -0.57 -0.26 0.00 -1.01 0.00 0.00 57.07 55.70 2ekj s TYR 74 Cb -0.15 -0.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 2ekj s TYR 74 CO 0.20 -0.51 2.00 0.50 -1.11 0.00 0.00 175.55 176.63 2ekj s ARG 75 N 1.94 2.46 -0.53 -0.62 3.52 0.29 -3.63 118.95 122.38 2ekj s ARG 75 Ca 0.01 0.51 -0.27 0.00 -0.13 0.00 0.00 55.73 55.85 2ekj s ARG 75 Cb -0.16 -4.60 0.03 0.00 -1.56 0.00 0.00 34.95 28.66 2ekj s ARG 75 CO -0.07 -3.08 1.09 0.08 -0.81 0.00 0.00 175.30 172.51 2ekj s VAL 76 N 10.15 4.20 -0.38 7.11 1.01 -0.37 -2.20 120.40 139.92 2ekj s VAL 76 Ca 0.74 0.84 -0.13 0.00 0.00 0.00 0.00 61.98 63.43 2ekj s VAL 76 Cb -0.12 -4.62 0.01 0.00 0.00 0.00 0.00 36.38 31.66 2ekj s VAL 76 CO 0.16 -1.15 0.24 -0.76 0.00 0.00 0.00 175.10 173.59 2ekj s LEU 77 N 4.47 4.78 -0.01 3.92 1.02 0.20 -2.89 118.68 130.17 2ekj s LEU 77 Ca 0.41 -0.82 0.03 0.00 0.02 0.00 0.00 54.13 53.77 2ekj s LEU 77 Cb -0.09 -2.09 -0.03 0.00 0.02 0.00 0.00 46.19 44.00 2ekj s LEU 77 CO 0.26 -0.37 -0.09 -0.69 0.02 0.00 0.00 176.35 175.48 2ekj s VAL 78 N 1.64 3.47 -0.12 -1.59 1.01 -1.03 -0.67 120.40 123.11 2ekj s VAL 78 Ca 0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 2ekj s VAL 78 Cb -0.19 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.79 2ekj s VAL 78 CO 0.09 0.46 0.26 -0.44 0.00 0.00 0.00 175.10 175.46 2ekj s SER 79 N -1.20 -0.00 0.06 3.32 0.01 -1.13 -2.10 113.70 112.65 2ekj s SER 79 Ca 0.15 0.57 -0.31 0.00 1.31 0.00 0.00 55.95 57.67 2ekj s SER 79 Cb -0.11 0.55 -0.05 0.00 0.21 0.00 0.00 66.02 66.62 2ekj s SER 79 CO 0.05 -0.20 1.19 0.00 0.41 0.00 0.00 173.24 174.69 2ekj s ALA 80 N 1.78 3.39 -0.18 1.44 0.00 -1.26 -2.48 121.76 124.45 2ekj s ALA 80 Ca -0.05 0.83 -0.10 0.00 0.00 0.00 0.00 51.96 52.64 2ekj s ALA 80 Cb -0.11 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 2ekj s ALA 80 CO -0.09 -0.44 0.16 0.42 0.00 0.00 0.00 175.76 175.81 2ekj s ILE 81 N 1.10 5.41 0.36 0.00 1.09 -0.76 -1.09 121.20 127.30 2ekj s ILE 81 Ca 0.58 0.25 0.06 0.00 -1.10 0.00 0.00 60.65 60.44 2ekj s ILE 81 Cb -0.29 -3.48 -0.07 0.00 -1.06 0.00 0.00 42.46 37.55 2ekj s ILE 81 CO 0.29 0.46 0.02 -0.31 -0.10 0.00 0.00 174.94 175.30 2ekj s TYR 82 N 0.16 2.23 0.22 3.97 2.02 -1.00 -2.05 117.35 122.89 2ekj s TYR 82 Ca 0.10 -0.78 -0.08 0.00 -0.37 0.00 0.00 57.07 55.94 2ekj s TYR 82 Cb -0.11 -1.49 0.31 0.00 -0.40 0.00 0.00 41.96 40.27 2ekj s TYR 82 CO -0.00 0.27 1.75 0.00 -1.57 0.00 0.00 175.55 175.99 2ekj h ALA 83 N 1.98 0.85 0.08 3.71 0.00 -1.99 -2.89 119.26 121.00 2ekj h ALA 83 Ca -0.42 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2ekj h ALA 83 Cb 1.24 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ekj h ALA 83 CO 0.74 -0.17 -0.04 0.00 0.00 0.00 0.00 179.25 179.78 2ekj h ALA 84 N 1.44 -0.11 -1.44 0.00 0.00 -1.99 -3.49 119.26 113.66 2ekj h ALA 84 Ca 0.33 -0.28 0.32 0.00 0.00 0.00 0.00 54.91 55.28 2ekj h ALA 84 Cb 0.41 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.12 2ekj h ALA 84 CO -0.32 -0.22 0.83 0.20 0.00 0.00 0.00 179.25 179.74 2ekj s GLY 85 N -3.43 -0.40 0.16 0.00 0.00 -1.09 -5.16 107.32 97.40 2ekj s GLY 85 Ca -0.14 0.83 -0.19 0.00 0.00 0.00 0.00 44.72 45.22 2ekj s GLY 85 CO 0.56 0.18 0.64 1.09 0.00 0.00 0.00 173.10 175.58 2ekj s ARG 86 N -2.42 4.19 0.94 2.90 1.70 -1.26 -2.39 118.95 122.61 2ekj s ARG 86 Ca 0.13 0.76 -0.14 0.00 -0.47 0.00 0.00 55.73 56.01 2ekj s ARG 86 Cb 0.04 -3.02 0.16 0.00 -0.57 0.00 0.00 34.95 31.56 2ekj s ARG 86 CO -0.04 0.49 1.20 -1.54 -1.08 0.00 0.00 175.30 174.34 2ekj s SER 87 N -1.49 3.33 0.97 -2.89 1.04 -0.25 -4.96 113.70 109.45 2ekj s SER 87 Ca 0.37 0.67 -0.13 0.00 0.48 0.00 0.00 55.95 57.34 2ekj s SER 87 Cb -0.17 -1.02 0.14 0.00 0.10 0.00 0.00 66.02 65.06 2ekj s SER 87 CO 0.20 -2.63 0.20 -1.84 0.98 0.00 0.00 173.24 170.15 2ekj n GLU 88 N -3.77 -1.96 -5.06 4.02 0.28 -1.26 -4.55 120.64 108.33 2ekj n GLU 88 Ca 0.10 -0.58 -0.32 0.00 -0.16 0.00 0.00 57.16 56.20 2ekj n GLU 88 Cb 0.60 -1.43 -0.16 0.00 1.43 0.00 0.00 31.44 31.88 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 -2.08 2.32 -0.22 -1.84 0.00 -1.26 -4.49 121.76 114.19 2ekj s ALA 89 Ca 0.35 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.26 2ekj s ALA 89 Cb -0.05 -0.95 -0.05 0.00 0.00 0.00 0.00 23.12 22.07 2ekj s ALA 89 CO 0.34 0.27 0.14 0.14 0.00 0.00 0.00 175.76 176.65 2ekj s VAL 90 N 0.35 5.28 0.19 0.00 -7.23 -0.89 -4.91 120.40 113.20 2ekj s VAL 90 Ca -0.16 0.15 -0.03 0.00 -1.81 0.00 0.00 61.98 60.13 2ekj s VAL 90 Cb -0.17 -3.44 -0.05 0.00 0.56 0.00 0.00 36.38 33.28 2ekj s VAL 90 CO 0.08 0.38 0.41 -0.94 -0.31 0.00 0.00 175.10 174.72 2ekj s SER 91 N 0.80 6.43 -0.30 4.85 1.04 -1.26 -2.48 113.70 122.79 2ekj s SER 91 Ca 0.07 0.52 -0.13 0.00 0.48 0.00 0.00 55.95 56.89 2ekj s SER 91 Cb -0.13 -2.06 0.14 0.00 0.10 0.00 0.00 66.02 64.08 2ekj s SER 91 CO 0.02 -0.03 0.82 0.00 0.98 0.00 0.00 173.24 175.03 2ekj s ALA 92 N -1.82 -2.36 0.00 5.32 0.00 -1.14 -4.94 121.76 116.83 2ekj s ALA 92 Ca 0.40 2.21 -0.22 0.00 0.00 0.00 0.00 51.96 54.36 2ekj s ALA 92 Cb -0.11 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.07 2ekj s ALA 92 CO 0.27 -0.89 0.63 0.95 0.00 0.00 0.00 175.76 176.73 2ekj s THR 93 N 2.56 4.88 -0.36 0.00 -4.23 -1.26 -1.23 115.64 115.99 2ekj s THR 93 Ca -0.05 1.33 0.02 0.00 -1.18 0.00 0.00 61.69 61.81 2ekj s THR 93 Cb -0.09 -3.97 0.15 0.00 1.34 0.00 0.00 72.50 69.93 2ekj s THR 93 CO -0.18 0.40 0.31 -0.83 -0.54 0.00 0.00 174.62 173.78 2ekj s GLY 94 N -0.12 0.24 0.62 3.99 0.00 -1.24 -4.92 107.32 105.89 2ekj s GLY 94 Ca 0.33 -1.20 -0.17 0.00 0.00 0.00 0.00 44.72 43.68 2ekj s GLY 94 CO 0.18 2.52 0.51 -0.18 0.00 0.00 0.00 173.10 176.13 2ekj n GLN 95 N 4.29 0.44 -2.26 2.90 7.27 -1.26 -4.11 117.38 124.65 2ekj n GLN 95 Ca 0.10 0.18 -0.26 0.00 0.07 0.00 0.00 57.00 57.09 2ekj n GLN 95 Cb 0.43 -1.73 0.10 0.00 2.41 0.00 0.00 30.24 31.44 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 -1.78 2.22 -0.02 1.69 -4.23 -0.79 -4.68 115.64 108.06 2ekj s THR 96 Ca 0.67 -0.32 -0.30 0.00 -1.18 0.00 0.00 61.69 60.57 2ekj s THR 96 Cb -0.41 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 2ekj s THR 96 CO 0.56 0.00 1.08 0.00 -0.54 0.00 0.00 174.62 175.71 2ekj s ALA 97 N -3.31 3.32 0.95 3.99 0.00 -0.53 -4.25 121.76 121.94 2ekj s ALA 97 Ca 0.64 0.60 -0.10 0.00 0.00 0.00 0.00 51.96 53.09 2ekj s ALA 97 Cb -0.08 -3.41 0.17 0.00 0.00 0.00 0.00 23.12 19.79 2ekj s ALA 97 CO 0.46 -0.45 1.13 0.00 0.00 0.00 0.00 175.76 176.90 2ekj n PRO 99 N -4.36 0.49 0.36 0.00 -0.04 -1.26 -3.61 135.00 126.58 2ekj n PRO 99 Ca 0.11 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 2ekj n PRO 99 Cb 0.52 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 2ekj n PRO 99 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2ekj h SER 100 N 0.00 -0.79 0.00 3.54 0.87 -1.98 -3.48 113.55 111.71 2ekj h SER 100 Ca 0.00 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2ekj h SER 100 Cb 0.00 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 2ekj h SER 100 CO 0.00 -0.46 0.00 0.61 -0.53 0.00 0.00 176.83 176.45 2ekj n GLY 101 N -0.82 0.24 3.56 5.77 0.00 -1.24 -4.54 105.19 108.16 2ekj n GLY 101 Ca -0.12 -0.91 -0.39 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 2.77 -0.21 1.61 0.04 -1.26 -4.97 135.00 132.97 2ekj s PRO 102 Ca 0.00 0.74 -0.20 0.00 0.04 0.00 0.00 61.00 61.58 2ekj s PRO 102 Cb 0.00 -4.35 -0.02 0.00 0.04 0.00 0.00 34.50 30.17 2ekj s PRO 102 CO 0.00 -2.56 0.61 0.45 0.04 0.00 0.00 177.00 175.54 2ekj s SER 103 N 7.64 6.63 0.18 6.66 0.15 -1.26 -5.02 113.70 128.68 2ekj s SER 103 Ca 0.69 0.76 -0.32 0.00 0.70 0.00 0.00 55.95 57.78 2ekj s SER 103 Cb -0.14 -2.33 -0.12 0.00 -1.71 0.00 0.00 66.02 61.72 2ekj s SER 103 CO 0.23 -0.28 1.75 -0.24 1.20 0.00 0.00 173.24 175.90 2ekj n SER 104 N 5.20 4.00 0.00 5.45 2.88 -1.26 -5.29 113.62 124.60 2ekj n SER 104 Ca -0.02 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 2ekj n SER 104 Cb 0.50 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.39 2ekj n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42