#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmj s SER 2 N 0.00 -0.43 0.32 1.61 1.04 -1.26 -5.19 113.70 109.80 2dmj s SER 2 Ca 0.00 0.76 -0.18 0.00 0.48 0.00 0.00 55.95 57.00 2dmj s SER 2 Cb 0.00 0.74 0.05 0.00 0.10 0.00 0.00 66.02 66.91 2dmj s SER 2 CO 0.00 -0.19 0.81 -0.94 0.98 0.00 0.00 173.24 173.90 2dmj s SER 3 N -0.07 -0.07 0.00 7.02 1.04 -1.26 -4.96 113.70 115.39 2dmj s SER 3 Ca 0.02 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2dmj s SER 3 Cb -0.04 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.84 2dmj s SER 3 CO -0.05 -1.48 0.00 0.61 0.98 0.00 0.00 173.24 173.30 2dmj n GLY 4 N -0.53 2.04 2.95 7.32 0.00 -1.26 -5.16 105.19 110.55 2dmj n GLY 4 Ca -0.07 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 2dmj n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmj s SER 5 N 0.00 0.44 0.88 1.61 0.15 -1.26 -5.11 113.70 110.40 2dmj s SER 5 Ca 0.00 0.49 -0.11 0.00 0.70 0.00 0.00 55.95 57.03 2dmj s SER 5 Cb 0.00 0.53 0.17 0.00 -1.71 0.00 0.00 66.02 65.00 2dmj s SER 5 CO 0.00 -0.23 1.21 -0.44 1.20 0.00 0.00 173.24 174.98 2dmj s SER 6 N 2.27 3.61 -0.24 5.45 0.01 -1.26 -5.01 113.70 118.52 2dmj s SER 6 Ca 0.01 0.12 -0.27 0.00 1.31 0.00 0.00 55.95 57.12 2dmj s SER 6 Cb -0.12 -0.31 0.14 0.00 0.21 0.00 0.00 66.02 65.94 2dmj s SER 6 CO -0.07 -2.40 1.09 -0.83 0.41 0.00 0.00 173.24 171.43 2dmj s GLY 7 N -4.82 -0.12 -0.23 3.44 0.00 -1.26 -5.15 107.32 99.20 2dmj s GLY 7 Ca 0.71 2.58 -0.06 0.00 0.00 0.00 0.00 44.72 47.94 2dmj s GLY 7 CO 0.50 1.55 0.04 1.06 0.00 0.00 0.00 173.10 176.25 2dmj s MET 8 N -0.29 3.64 -1.01 2.90 -1.94 -1.26 -5.05 119.30 116.29 2dmj s MET 8 Ca 0.02 -0.50 -0.13 0.00 -1.71 0.00 0.00 55.69 53.37 2dmj s MET 8 Cb -0.03 -3.21 0.21 0.00 2.01 0.00 0.00 34.83 33.81 2dmj s MET 8 CO -0.05 -0.09 1.07 0.00 -0.01 0.00 0.00 175.02 175.94 2dmj s ALA 9 N 1.31 4.13 -0.80 3.03 0.00 -1.26 -4.99 121.76 123.19 2dmj s ALA 9 Ca 0.04 -3.39 -0.25 0.00 0.00 0.00 0.00 51.96 48.37 2dmj s ALA 9 Cb -0.15 -3.75 0.05 0.00 0.00 0.00 0.00 23.12 19.27 2dmj s ALA 9 CO 0.02 -2.49 1.26 -2.00 0.00 0.00 0.00 175.76 172.55 2dmj s GLU 10 N 0.48 3.28 -1.69 0.00 2.12 -1.26 -4.18 118.70 117.45 2dmj s GLU 10 Ca 0.29 -0.60 -0.15 0.00 0.36 0.00 0.00 54.97 54.87 2dmj s GLU 10 Cb -0.08 -4.47 0.14 0.00 0.26 0.00 0.00 34.13 29.98 2dmj s GLU 10 CO -0.07 -2.09 0.63 0.43 -0.54 0.00 0.00 175.26 173.62 2dmj n SER 11 N 8.86 -2.20 -3.71 -1.70 7.64 -1.26 -4.93 113.62 116.33 2dmj n SER 11 Ca 0.09 -1.09 -0.11 0.00 1.01 0.00 0.00 58.87 58.77 2dmj n SER 11 Cb 0.49 -2.45 -0.12 0.00 -1.01 0.00 0.00 64.21 61.12 2dmj n SER 11 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dmj s SER 12 N -3.53 -0.32 -0.31 6.43 1.04 -1.26 -5.05 113.70 110.70 2dmj s SER 12 Ca 0.59 0.70 0.12 0.00 0.48 0.00 0.00 55.95 57.84 2dmj s SER 12 Cb -0.33 0.61 0.47 0.00 0.10 0.00 0.00 66.02 66.87 2dmj s SER 12 CO 0.95 -0.18 1.14 0.47 0.98 0.00 0.00 173.24 176.59 2dmj n ASP 13 N 4.37 3.72 -4.46 7.02 8.00 -1.26 -4.77 116.55 129.16 2dmj n ASP 13 Ca -0.23 -3.20 -0.29 0.00 0.71 0.00 0.00 54.79 51.79 2dmj n ASP 13 Cb 0.53 -0.41 0.20 0.00 -0.02 0.00 0.00 41.12 41.43 2dmj n ASP 13 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2dmj s LYS 14 N -3.61 -0.24 -0.20 -1.24 1.02 -1.26 -5.01 119.74 109.19 2dmj s LYS 14 Ca 0.42 0.42 0.01 0.00 0.02 0.00 0.00 55.97 56.84 2dmj s LYS 14 Cb 0.39 -1.67 -0.13 0.00 -0.52 0.00 0.00 37.83 35.90 2dmj s LYS 14 CO -0.02 -3.16 -0.19 1.28 -0.92 0.00 0.00 175.35 172.35 2dmj n LEU 15 N -4.46 2.91 -4.88 3.17 4.32 -1.26 -5.00 117.00 111.80 2dmj n LEU 15 Ca 0.06 -0.09 -0.27 0.00 -0.02 0.00 0.00 56.01 55.70 2dmj n LEU 15 Cb 0.57 -0.71 -0.04 0.00 -1.62 0.00 0.00 43.42 41.62 2dmj n LEU 15 CO 0.55 0.83 -0.15 -0.31 -1.22 0.00 0.00 177.39 177.08 2dmj s TYR 16 N -2.41 3.34 -0.25 -1.77 2.02 -1.26 -2.57 117.35 114.46 2dmj s TYR 16 Ca -0.28 0.07 -0.04 0.00 -0.37 0.00 0.00 57.07 56.46 2dmj s TYR 16 Cb 0.07 -1.61 0.14 0.00 -0.40 0.00 0.00 41.96 40.16 2dmj s TYR 16 CO 0.47 0.52 0.44 0.50 -1.57 0.00 0.00 175.55 175.91 2dmj s ARG 17 N -3.12 0.39 -0.11 -0.62 3.52 -1.14 -0.61 118.95 117.26 2dmj s ARG 17 Ca 0.33 0.77 -0.00 0.00 -0.13 0.00 0.00 55.73 56.70 2dmj s ARG 17 Cb -0.11 -0.05 -0.02 0.00 -1.56 0.00 0.00 34.95 33.21 2dmj s ARG 17 CO 0.26 -0.54 -0.10 0.54 -0.81 0.00 0.00 175.30 174.66 2dmj s VAL 18 N 2.64 3.39 0.19 7.11 0.11 -0.27 -1.26 120.40 132.29 2dmj s VAL 18 Ca 0.10 -0.56 -0.24 0.00 -2.93 0.00 0.00 61.98 58.35 2dmj s VAL 18 Cb -0.14 -2.41 0.05 0.00 -1.53 0.00 0.00 36.38 32.34 2dmj s VAL 18 CO -0.16 0.54 0.85 -1.83 -3.33 0.00 0.00 175.10 171.17 2dmj s GLU 19 N -0.07 1.40 -0.45 1.54 -1.05 -1.10 -3.98 118.70 114.99 2dmj s GLU 19 Ca -0.01 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 53.77 2dmj s GLU 19 Cb -0.14 0.49 0.02 0.00 -0.44 0.00 0.00 34.13 34.06 2dmj s GLU 19 CO 0.03 -0.64 1.35 0.71 0.95 0.00 0.00 175.26 177.66 2dmj s TYR 20 N -3.53 2.48 0.19 4.83 2.02 -1.26 -2.98 117.35 119.10 2dmj s TYR 20 Ca 0.11 0.66 -0.22 0.00 -0.37 0.00 0.00 57.07 57.24 2dmj s TYR 20 Cb -0.03 -4.36 -0.14 0.00 -0.40 0.00 0.00 41.96 37.03 2dmj s TYR 20 CO 0.03 -1.82 0.38 0.00 -1.57 0.00 0.00 175.55 172.57 2dmj n ALA 21 N 8.69 -2.58 -0.05 3.71 0.00 0.02 -4.75 120.51 125.55 2dmj n ALA 21 Ca 0.15 0.33 -0.21 0.00 0.00 0.00 0.00 53.44 53.71 2dmj n ALA 21 Cb 0.48 -1.32 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 2dmj n ALA 21 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2dmj h LYS 22 N 0.75 0.12 -3.71 0.00 1.57 -1.91 -2.20 116.57 111.18 2dmj h LYS 22 Ca -0.24 -0.20 -0.19 0.00 -1.87 0.00 0.00 60.65 58.15 2dmj h LYS 22 Cb 1.19 0.07 -0.24 0.00 0.08 0.00 0.00 32.23 33.33 2dmj h LYS 22 CO 0.46 1.09 -0.65 -1.12 -0.57 0.00 0.00 179.45 178.67 2dmj s SER 23 N -6.90 0.05 -0.92 0.86 0.01 -1.26 -4.54 113.70 101.00 2dmj s SER 23 Ca -0.25 -0.14 -0.22 0.00 1.31 0.00 0.00 55.95 56.66 2dmj s SER 23 Cb 0.05 0.12 -0.12 0.00 0.21 0.00 0.00 66.02 66.28 2dmj s SER 23 CO 0.68 -0.16 1.94 0.61 0.41 0.00 0.00 173.24 176.72 2dmj n GLY 24 N 2.34 2.35 0.95 3.44 0.00 -1.26 -4.09 105.19 108.92 2dmj n GLY 24 Ca -0.18 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.67 2dmj n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmj n ARG 25 N 7.27 0.00 -0.69 1.61 5.12 -1.26 -4.92 116.66 123.79 2dmj n ARG 25 Ca 0.49 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 56.09 2dmj n ARG 25 Cb 0.42 -0.49 0.17 0.00 -1.16 0.00 0.00 32.46 31.39 2dmj n ARG 25 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2dmj n ALA 26 N -2.71 -3.01 -2.23 7.54 0.00 -1.26 -4.83 120.51 114.02 2dmj n ALA 26 Ca 0.00 -0.94 -0.13 0.00 0.00 0.00 0.00 53.44 52.37 2dmj n ALA 26 Cb 0.36 -1.77 -0.10 0.00 0.00 0.00 0.00 19.45 17.94 2dmj n ALA 26 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dmj s SER 27 N -2.08 0.44 0.25 0.00 1.04 -1.26 -2.35 113.70 109.74 2dmj s SER 27 Ca 0.59 -1.38 0.09 0.00 0.48 0.00 0.00 55.95 55.73 2dmj s SER 27 Cb -0.19 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 2dmj s SER 27 CO 0.66 -0.81 0.05 0.00 0.98 0.00 0.00 173.24 174.12 2dmj n LYS 29 N -0.89 0.93 -0.31 0.00 4.76 -1.25 -2.81 118.16 118.59 2dmj n LYS 29 Ca -0.07 0.05 0.15 0.00 -2.87 0.00 0.00 58.31 55.57 2dmj n LYS 29 Cb 0.58 -1.24 0.40 0.00 -1.84 0.00 0.00 35.03 32.93 2dmj n LYS 29 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2dmj h LYS 30 N 0.00 0.61 0.00 1.97 1.63 -1.93 -2.97 116.57 115.87 2dmj h LYS 30 Ca -0.27 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 2dmj h LYS 30 Cb 1.47 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 2dmj h LYS 30 CO -0.03 0.40 -1.07 0.00 -3.45 0.00 0.00 179.45 175.31 2dmj n SER 32 N -1.56 -2.48 -3.46 0.00 2.88 -1.12 -5.05 113.62 102.83 2dmj n SER 32 Ca -0.00 -0.31 -0.19 0.00 -1.33 0.00 0.00 58.87 57.04 2dmj n SER 32 Cb 0.06 -2.86 -0.04 0.00 -0.75 0.00 0.00 64.21 60.61 2dmj n SER 32 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2dmj n GLU 33 N -2.64 1.03 -3.72 -1.46 -0.58 -1.21 -4.92 120.64 107.14 2dmj n GLU 33 Ca -0.12 -2.32 -0.36 0.00 -0.42 0.00 0.00 57.16 53.94 2dmj n GLU 33 Cb 0.58 0.84 -0.07 0.00 -0.57 0.00 0.00 31.44 32.22 2dmj n GLU 33 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2dmj s SER 34 N -2.72 6.38 -0.07 1.62 0.15 -1.26 -1.07 113.70 116.73 2dmj s SER 34 Ca 0.05 0.45 -0.25 0.00 0.70 0.00 0.00 55.95 56.90 2dmj s SER 34 Cb 0.00 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 62.16 2dmj s SER 34 CO 0.03 0.26 0.76 -0.63 1.20 0.00 0.00 173.24 174.86 2dmj s ILE 35 N -0.25 5.00 0.76 6.45 1.01 -0.99 -4.91 121.20 128.26 2dmj s ILE 35 Ca 0.14 1.57 -0.11 0.00 0.00 0.00 0.00 60.65 62.24 2dmj s ILE 35 Cb -0.12 -4.10 0.05 0.00 0.01 0.00 0.00 42.46 38.30 2dmj s ILE 35 CO 0.03 0.21 1.09 -2.16 0.00 0.00 0.00 174.94 174.11 2dmj s PRO 36 N 0.99 2.34 0.38 2.79 0.04 -1.26 -4.22 135.00 136.05 2dmj s PRO 36 Ca 0.40 1.20 -0.19 0.00 0.04 0.00 0.00 61.00 62.46 2dmj s PRO 36 Cb -0.18 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 2dmj s PRO 36 CO 0.19 -1.59 0.86 0.21 0.04 0.00 0.00 177.00 176.71 2dmj s LYS 37 N -4.78 4.15 -1.35 4.56 2.20 -1.26 -3.99 119.74 119.27 2dmj s LYS 37 Ca 0.62 0.94 -0.06 0.00 -0.36 0.00 0.00 55.97 57.11 2dmj s LYS 37 Cb -0.18 -2.33 0.02 0.00 -1.51 0.00 0.00 37.83 33.84 2dmj s LYS 37 CO 0.54 0.07 0.99 -3.47 -0.36 0.00 0.00 175.35 173.12 2dmj n ASP 38 N -0.44 -3.87 -4.30 1.43 2.03 -0.83 -4.95 116.55 105.63 2dmj n ASP 38 Ca 0.05 -0.68 -0.19 0.00 0.52 0.00 0.00 54.79 54.49 2dmj n ASP 38 Cb 0.53 -4.56 -0.11 0.00 -0.72 0.00 0.00 41.12 36.26 2dmj n ASP 38 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2dmj s SER 39 N -3.78 2.37 -0.27 1.67 1.04 -1.26 -4.82 113.70 108.64 2dmj s SER 39 Ca 0.34 -0.87 -0.29 0.00 0.48 0.00 0.00 55.95 55.61 2dmj s SER 39 Cb -0.16 -0.11 0.00 0.00 0.10 0.00 0.00 66.02 65.85 2dmj s SER 39 CO 0.77 -0.11 1.23 -0.22 0.98 0.00 0.00 173.24 175.89 2dmj s LEU 40 N -2.71 3.97 0.25 2.42 2.96 -1.26 -0.80 118.68 123.50 2dmj s LEU 40 Ca 0.14 1.28 0.02 0.00 -0.22 0.00 0.00 54.13 55.35 2dmj s LEU 40 Cb -0.04 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 2dmj s LEU 40 CO 0.05 -0.95 0.08 0.00 -1.32 0.00 0.00 176.35 174.21 2dmj s ARG 41 N 3.86 1.39 0.24 1.98 1.70 -1.16 -3.58 118.95 123.38 2dmj s ARG 41 Ca 0.53 -1.75 0.07 0.00 -0.47 0.00 0.00 55.73 54.11 2dmj s ARG 41 Cb -0.17 -0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 33.84 2dmj s ARG 41 CO 0.19 -0.26 -0.10 -1.64 -1.08 0.00 0.00 175.30 172.40 2dmj s MET 42 N -4.01 1.45 0.06 3.89 -1.94 -0.82 -2.69 119.30 115.24 2dmj s MET 42 Ca 0.36 -1.69 0.05 0.00 -1.71 0.00 0.00 55.69 52.70 2dmj s MET 42 Cb 0.08 -1.14 -0.03 0.00 2.01 0.00 0.00 34.83 35.75 2dmj s MET 42 CO 0.13 0.11 -0.14 0.00 -0.01 0.00 0.00 175.02 175.10 2dmj s ALA 43 N -2.99 1.17 -0.04 3.03 0.00 -0.39 -1.62 121.76 120.91 2dmj s ALA 43 Ca 0.26 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2dmj s ALA 43 Cb 0.02 -0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.04 2dmj s ALA 43 CO 0.10 0.18 -0.01 0.42 0.00 0.00 0.00 175.76 176.44 2dmj s ILE 44 N -1.16 0.33 -0.71 0.00 1.01 -0.12 -2.89 121.20 117.66 2dmj s ILE 44 Ca -0.01 0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.44 2dmj s ILE 44 Cb -0.09 -0.42 0.08 0.00 0.01 0.00 0.00 42.46 42.04 2dmj s ILE 44 CO 0.02 0.19 1.01 -0.04 0.00 0.00 0.00 174.94 176.12 2dmj s MET 45 N 1.15 3.19 0.47 2.79 -1.94 -1.06 -1.17 119.30 122.73 2dmj s MET 45 Ca -0.08 -0.97 0.05 0.00 -1.71 0.00 0.00 55.69 52.98 2dmj s MET 45 Cb -0.14 -4.36 -0.03 0.00 2.01 0.00 0.00 34.83 32.32 2dmj s MET 45 CO -0.02 -1.83 0.12 0.14 -0.01 0.00 0.00 175.02 173.42 2dmj s VAL 46 N 3.91 1.73 0.32 -6.03 -7.23 -1.21 -4.95 120.40 106.94 2dmj s VAL 46 Ca 0.24 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 2dmj s VAL 46 Cb -0.15 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2dmj s VAL 46 CO 0.07 0.00 0.55 -1.10 -0.31 0.00 0.00 175.10 174.31 2dmj s GLN 47 N -3.91 3.54 -0.16 4.82 -0.21 -1.26 -1.14 119.66 121.33 2dmj s GLN 47 Ca 0.26 -0.20 -0.02 0.00 0.02 0.00 0.00 55.36 55.42 2dmj s GLN 47 Cb 0.03 -2.66 -0.02 0.00 1.00 0.00 0.00 33.01 31.37 2dmj s GLN 47 CO 0.14 0.17 -0.08 0.45 -2.12 0.00 0.00 175.29 173.86 2dmj s SER 48 N -3.68 4.38 0.00 5.90 0.15 -0.70 -4.78 113.70 114.97 2dmj s SER 48 Ca 0.41 -0.26 0.15 0.00 0.70 0.00 0.00 55.95 56.96 2dmj s SER 48 Cb -0.10 -1.70 0.91 0.00 -1.71 0.00 0.00 66.02 63.42 2dmj s SER 48 CO 0.34 0.13 1.32 -0.81 1.20 0.00 0.00 173.24 175.43 2dmj n PRO 49 N 3.75 0.49 -0.09 5.44 -0.04 -1.26 -2.82 135.00 140.47 2dmj n PRO 49 Ca -0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 2dmj n PRO 49 Cb 0.52 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 2dmj n PRO 49 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2dmj n MET 50 N -0.99 0.65 -4.44 0.54 2.81 -1.26 -5.03 117.12 109.40 2dmj n MET 50 Ca 0.11 0.29 -0.22 0.00 -1.81 0.00 0.00 57.70 56.08 2dmj n MET 50 Cb 0.05 -1.61 -0.10 0.00 -0.71 0.00 0.00 33.22 30.86 2dmj n MET 50 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 2dmj s PHE 51 N -2.50 1.80 -0.28 2.03 -0.71 -1.13 -5.04 117.98 112.17 2dmj s PHE 51 Ca -0.32 -1.14 -0.03 0.00 -1.04 0.00 0.00 56.93 54.40 2dmj s PHE 51 Cb 0.09 -1.14 0.04 0.00 -1.21 0.00 0.00 43.02 40.80 2dmj s PHE 51 CO 0.61 -0.20 2.63 -0.25 -1.34 0.00 0.00 175.22 176.68 2dmj n ASP 52 N -0.88 6.11 -0.75 1.98 9.92 -1.26 -4.27 116.55 127.41 2dmj n ASP 52 Ca -0.03 -2.94 0.00 0.00 -0.53 0.00 0.00 54.79 51.29 2dmj n ASP 52 Cb 0.66 -1.21 0.00 0.00 -0.64 0.00 0.00 41.12 39.93 2dmj n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dmj n GLY 53 N 1.10 4.80 3.35 0.44 0.00 -1.26 -5.04 105.19 108.59 2dmj n GLY 53 Ca 0.37 -1.71 -0.19 0.00 0.00 0.00 0.00 46.02 44.49 2dmj n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dmj s LYS 54 N -0.79 1.35 -0.01 1.61 1.02 -1.26 -1.72 119.74 119.95 2dmj s LYS 54 Ca 0.00 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.40 2dmj s LYS 54 Cb 0.00 -1.18 0.01 0.00 -0.52 0.00 0.00 37.83 36.13 2dmj s LYS 54 CO 0.00 0.20 -0.00 0.14 -0.92 0.00 0.00 175.35 174.77 2dmj s VAL 55 N -2.88 0.09 -0.33 3.17 -7.23 -0.29 -4.89 120.40 108.04 2dmj s VAL 55 Ca 0.23 0.00 -0.29 0.00 -1.81 0.00 0.00 61.98 60.11 2dmj s VAL 55 Cb -0.01 -0.12 -0.01 0.00 0.56 0.00 0.00 36.38 36.80 2dmj s VAL 55 CO 0.07 0.05 1.69 -2.16 -0.31 0.00 0.00 175.10 174.45 2dmj s PRO 56 N 0.28 3.46 -0.31 4.82 0.04 -1.26 -3.33 135.00 138.70 2dmj s PRO 56 Ca -0.02 1.36 -0.16 0.00 0.04 0.00 0.00 61.00 62.22 2dmj s PRO 56 Cb -0.04 -4.14 -0.02 0.00 0.04 0.00 0.00 34.50 30.34 2dmj s PRO 56 CO -0.01 -1.71 0.39 -1.01 0.04 0.00 0.00 177.00 174.71 2dmj s HIS 57 N 6.32 3.22 -0.10 0.56 3.76 -0.32 -4.87 115.29 123.86 2dmj s HIS 57 Ca 0.75 0.22 -0.19 0.00 -0.15 0.00 0.00 55.06 55.69 2dmj s HIS 57 Cb -0.21 -2.67 -0.04 0.00 1.11 0.00 0.00 32.58 30.77 2dmj s HIS 57 CO 0.33 -0.35 0.53 -1.58 -0.85 0.00 0.00 174.74 172.82 2dmj s TRP 58 N 2.11 3.53 -0.03 1.40 0.52 -1.26 -0.94 118.94 124.27 2dmj s TRP 58 Ca 0.15 0.98 0.04 0.00 0.02 0.00 0.00 56.10 57.28 2dmj s TRP 58 Cb -0.16 -2.62 -0.00 0.00 -1.15 0.00 0.00 33.47 29.54 2dmj s TRP 58 CO 0.11 0.15 -0.13 0.71 0.02 0.00 0.00 176.95 177.81 2dmj s TYR 59 N 0.66 1.25 0.36 -1.98 2.02 -0.64 -3.83 117.35 115.20 2dmj s TYR 59 Ca 0.29 -0.30 -0.28 0.00 -0.37 0.00 0.00 57.07 56.40 2dmj s TYR 59 Cb -0.16 -0.85 -0.11 0.00 -0.40 0.00 0.00 41.96 40.44 2dmj s TYR 59 CO 0.12 -0.09 1.44 0.72 -1.57 0.00 0.00 175.55 176.17 2dmj n HIS 60 N 3.06 2.78 -0.20 2.71 8.25 -1.26 -1.95 115.22 128.61 2dmj n HIS 60 Ca -0.17 0.46 0.19 0.00 -0.26 0.00 0.00 57.72 57.94 2dmj n HIS 60 Cb 0.54 -2.51 0.36 0.00 1.12 0.00 0.00 29.99 29.50 2dmj n HIS 60 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2dmj n PHE 61 N 0.56 0.71 -0.08 4.41 7.35 -1.24 0.57 117.46 129.74 2dmj n PHE 61 Ca 0.03 0.73 -0.15 0.00 -0.76 0.00 0.00 57.45 57.31 2dmj n PHE 61 Cb 0.38 -1.16 -0.10 0.00 0.35 0.00 0.00 39.48 38.95 2dmj n PHE 61 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 2dmj h SER 62 N 0.00 0.00 -0.96 -2.13 4.64 -1.91 -3.36 113.55 109.83 2dmj h SER 62 Ca 0.52 -0.59 0.30 0.00 -0.47 0.00 0.00 61.79 61.54 2dmj h SER 62 Cb 1.36 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.30 2dmj h SER 62 CO -0.48 1.11 0.40 0.00 -0.87 0.00 0.00 176.83 176.99 2dmj h PHE 64 N 0.22 0.71 -0.33 0.00 3.04 -0.96 0.42 116.94 120.04 2dmj h PHE 64 Ca 0.67 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.64 2dmj h PHE 64 Cb 1.51 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.80 2dmj h PHE 64 CO -0.14 0.29 0.00 0.91 -2.02 0.00 0.00 178.31 177.35 2dmj n TRP 65 N -4.52 0.46 -0.13 0.41 7.02 0.32 -3.94 117.44 117.05 2dmj n TRP 65 Ca 0.15 -0.22 -0.24 0.00 -1.02 0.00 0.00 57.50 56.17 2dmj n TRP 65 Cb 0.43 -0.01 -0.11 0.00 -2.42 0.00 0.00 31.31 29.20 2dmj n TRP 65 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2dmj n LYS 66 N 0.46 0.62 -0.18 -0.99 4.76 0.15 -4.51 118.16 118.46 2dmj n LYS 66 Ca 0.11 0.20 -0.02 0.00 -2.87 0.00 0.00 58.31 55.74 2dmj n LYS 66 Cb 0.29 -1.50 0.08 0.00 -1.84 0.00 0.00 35.03 32.06 2dmj n LYS 66 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 2dmj h VAL 67 N -0.50 0.83 0.00 -0.18 -1.51 -1.61 -3.47 116.25 109.81 2dmj h VAL 67 Ca -0.64 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 2dmj h VAL 67 Cb 1.76 0.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2dmj h VAL 67 CO -0.26 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 176.77 2dmj n GLY 68 N -1.28 0.96 3.86 5.19 0.00 -1.26 -4.76 105.19 107.91 2dmj n GLY 68 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2dmj n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dmj s HIS 69 N -1.31 3.41 -0.20 1.61 3.76 -1.26 -5.07 115.29 116.23 2dmj s HIS 69 Ca 0.00 1.20 -0.01 0.00 -0.15 0.00 0.00 55.06 56.11 2dmj s HIS 69 Cb 0.00 -2.54 0.01 0.00 1.11 0.00 0.00 32.58 31.16 2dmj s HIS 69 CO 0.00 -0.02 -0.14 -1.12 -0.85 0.00 0.00 174.74 172.60 2dmj s SER 70 N -2.63 3.56 -0.23 1.40 0.01 -1.26 -4.97 113.70 109.58 2dmj s SER 70 Ca 0.54 -0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.23 2dmj s SER 70 Cb -0.10 -1.57 0.06 0.00 0.21 0.00 0.00 66.02 64.62 2dmj s SER 70 CO 0.23 -0.01 -0.04 -0.63 0.41 0.00 0.00 173.24 173.20 2dmj s ILE 71 N 1.35 1.34 0.00 1.44 1.01 -1.26 -5.04 121.20 120.04 2dmj s ILE 71 Ca 0.05 -1.09 0.00 0.00 0.00 0.00 0.00 60.65 59.61 2dmj s ILE 71 Cb -0.14 -1.65 0.00 0.00 0.01 0.00 0.00 42.46 40.69 2dmj s ILE 71 CO -0.10 -0.12 0.36 0.54 0.00 0.00 0.00 174.94 175.63 2dmj n ARG 72 N 4.74 0.00 -3.75 2.79 1.74 -1.26 -4.65 116.66 116.28 2dmj n ARG 72 Ca -0.11 0.33 -0.36 0.00 -0.77 0.00 0.00 57.85 56.93 2dmj n ARG 72 Cb 0.45 -1.05 -0.11 0.00 -1.02 0.00 0.00 32.46 30.73 2dmj n ARG 72 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2dmj s HIS 73 N -1.38 3.47 -1.53 -1.55 3.76 -1.26 -4.92 115.29 111.89 2dmj s HIS 73 Ca 0.00 -2.61 0.15 0.00 -0.15 0.00 0.00 55.06 52.45 2dmj s HIS 73 Cb 0.00 -3.20 0.78 0.00 1.11 0.00 0.00 32.58 31.27 2dmj s HIS 73 CO 0.00 -0.89 1.40 -0.35 -0.85 0.00 0.00 174.74 174.05 2dmj n PRO 74 N 3.91 0.26 0.06 8.40 -0.04 -1.26 -0.57 135.00 145.75 2dmj n PRO 74 Ca 0.04 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.47 2dmj n PRO 74 Cb 0.39 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.30 2dmj n PRO 74 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2dmj h ASP 75 N 0.00 0.61 0.00 3.54 3.58 -1.92 -3.06 116.42 119.17 2dmj h ASP 75 Ca 0.00 -0.48 -0.13 0.00 0.42 0.00 0.00 57.03 56.84 2dmj h ASP 75 Cb 0.12 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 2dmj h ASP 75 CO 0.00 1.28 -1.47 1.33 -2.88 0.00 0.00 179.24 177.50 2dmj n VAL 76 N -3.77 0.48 -0.05 2.25 0.24 -1.10 -4.54 118.33 111.84 2dmj n VAL 76 Ca -0.07 -0.24 -0.13 0.00 -2.04 0.00 0.00 64.34 61.86 2dmj n VAL 76 Cb 0.84 -0.81 -0.07 0.00 -1.47 0.00 0.00 33.84 32.32 2dmj n VAL 76 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2dmj h GLU 77 N 0.00 0.29 -5.63 7.34 5.08 -1.03 -3.43 114.58 117.20 2dmj h GLU 77 Ca -0.19 -0.15 -0.60 0.00 -1.00 0.00 0.00 59.36 57.42 2dmj h GLU 77 Cb 1.35 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.52 2dmj h GLU 77 CO -0.01 0.69 -0.29 0.08 -1.00 0.00 0.00 179.01 178.48 2dmj s VAL 78 N -4.31 5.26 0.61 3.13 1.01 -1.15 -4.10 120.40 120.84 2dmj s VAL 78 Ca -0.14 0.62 -0.10 0.00 0.00 0.00 0.00 61.98 62.35 2dmj s VAL 78 Cb 0.05 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 2dmj s VAL 78 CO 0.74 0.44 1.00 -0.62 0.00 0.00 0.00 175.10 176.65 2dmj s ASP 79 N 0.07 6.16 0.00 3.32 2.15 0.22 -3.98 116.67 124.62 2dmj s ASP 79 Ca 0.19 1.32 0.00 0.00 0.43 0.00 0.00 52.55 54.48 2dmj s ASP 79 Cb -0.14 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 2dmj s ASP 79 CO 0.06 -0.87 0.00 0.61 -0.17 0.00 0.00 175.17 174.81 2dmj n GLY 80 N -2.70 1.05 0.28 2.66 0.00 -1.26 -1.12 105.19 104.11 2dmj n GLY 80 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 2dmj n GLY 80 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2dmj n PHE 81 N 0.00 -0.08 -0.31 1.61 -0.00 -1.26 0.20 117.46 117.62 2dmj n PHE 81 Ca 0.00 0.89 -0.04 0.00 -0.00 0.00 0.00 57.45 58.30 2dmj n PHE 81 Cb 0.00 -0.70 0.08 0.00 -0.00 0.00 0.00 39.48 38.86 2dmj n PHE 81 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2dmj h SER 82 N 0.00 0.97 -0.77 -2.13 0.87 -1.83 -2.45 113.55 108.21 2dmj h SER 82 Ca 0.21 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 2dmj h SER 82 Cb 0.39 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 2dmj h SER 82 CO -0.70 0.71 0.42 -0.33 -0.53 0.00 0.00 176.83 176.40 2dmj h GLU 83 N 1.14 1.08 -6.41 2.24 5.08 0.19 -3.44 114.58 114.46 2dmj h GLU 83 Ca 0.31 -0.13 -0.52 0.00 -1.00 0.00 0.00 59.36 58.02 2dmj h GLU 83 Cb -0.12 -0.21 0.23 0.00 0.50 0.00 0.00 28.75 29.16 2dmj h GLU 83 CO -0.06 0.81 -1.40 1.28 -1.00 0.00 0.00 179.01 178.63 2dmj n LEU 84 N -4.43 -2.81 -4.84 1.33 4.77 0.10 -4.94 117.00 106.19 2dmj n LEU 84 Ca 0.07 0.14 -0.32 0.00 -0.03 0.00 0.00 56.01 55.88 2dmj n LEU 84 Cb 0.10 -0.91 -0.00 0.00 -2.33 0.00 0.00 43.42 40.28 2dmj n LEU 84 CO 0.38 -4.06 0.70 -0.13 -1.33 0.00 0.00 177.39 172.96 2dmj s ARG 85 N -2.86 3.59 0.17 3.23 3.00 -1.26 -4.69 118.95 120.13 2dmj s ARG 85 Ca 0.48 0.93 -0.27 0.00 0.00 0.00 0.00 55.73 56.87 2dmj s ARG 85 Cb -0.13 -2.08 -0.01 0.00 0.00 0.00 0.00 34.95 32.73 2dmj s ARG 85 CO 0.72 -0.57 1.47 1.87 0.00 0.00 0.00 175.30 178.79 2dmj n TRP 86 N -2.25 -0.33 -0.26 -0.53 -0.00 -1.26 -0.27 117.44 112.54 2dmj n TRP 86 Ca 0.07 1.19 -0.10 0.00 -0.00 0.00 0.00 57.50 58.67 2dmj n TRP 86 Cb 0.54 -0.63 -0.08 0.00 -0.00 0.00 0.00 31.31 31.14 2dmj n TRP 86 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 177.69 177.91 2dmj h ASP 87 N 0.00 -1.65 0.17 5.87 3.58 -1.99 0.18 116.42 122.59 2dmj h ASP 87 Ca 0.19 0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.89 2dmj h ASP 87 Cb 0.43 0.71 -0.03 0.00 1.72 0.00 0.00 39.33 42.16 2dmj h ASP 87 CO -0.91 -0.23 -0.26 0.44 -2.88 0.00 0.00 179.24 175.41 2dmj h ASP 88 N -0.10 -0.71 -0.85 2.28 5.19 -1.43 0.26 116.42 121.05 2dmj h ASP 88 Ca 0.10 0.08 0.22 0.00 -0.62 0.00 0.00 57.03 56.81 2dmj h ASP 88 Cb 0.38 0.26 -0.15 0.00 0.18 0.00 0.00 39.33 40.00 2dmj h ASP 88 CO -0.66 -0.36 0.11 1.56 -3.12 0.00 0.00 179.24 176.77 2dmj h GLN 89 N -0.50 0.13 -0.14 3.56 4.20 0.47 0.38 115.11 123.21 2dmj h GLN 89 Ca 0.01 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 2dmj h GLN 89 Cb 0.49 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.25 2dmj h GLN 89 CO -0.11 0.08 -0.52 1.96 -0.67 0.00 0.00 178.83 179.57 2dmj h GLN 90 N 0.13 0.60 0.65 1.46 1.08 -0.17 -3.12 115.11 115.74 2dmj h GLN 90 Ca 0.51 -0.46 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2dmj h GLN 90 Cb 0.99 0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.50 2dmj h GLN 90 CO -0.71 1.08 -0.39 -0.22 -0.95 0.00 0.00 178.83 177.64 2dmj h LYS 91 N 0.25 -0.93 -0.88 1.46 3.64 0.20 -2.75 116.57 117.57 2dmj h LYS 91 Ca -0.03 0.06 0.20 0.00 -1.27 0.00 0.00 60.65 59.61 2dmj h LYS 91 Cb 1.15 0.21 -0.16 0.00 -0.41 0.00 0.00 32.23 33.02 2dmj h LYS 91 CO 0.11 -0.62 -0.13 0.28 -2.27 0.00 0.00 179.45 176.83 2dmj h VAL 92 N -0.96 0.14 -0.02 2.00 2.07 -0.50 -1.61 116.25 117.36 2dmj h VAL 92 Ca -0.09 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2dmj h VAL 92 Cb 0.77 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2dmj h VAL 92 CO 0.09 0.00 -0.19 0.11 0.02 0.00 0.00 177.57 177.61 2dmj h LYS 93 N 0.02 -0.22 -0.67 1.57 1.57 -1.45 0.18 116.57 117.58 2dmj h LYS 93 Ca 0.46 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 59.31 2dmj h LYS 93 Cb 0.78 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 33.06 2dmj h LYS 93 CO -0.86 -0.14 -0.39 1.63 -0.57 0.00 0.00 179.45 179.11 2dmj n LYS 94 N -3.56 -0.29 -0.09 3.15 5.02 -0.64 -0.38 118.16 121.36 2dmj n LYS 94 Ca -0.02 1.32 -0.07 0.00 -2.02 0.00 0.00 58.31 57.51 2dmj n LYS 94 Cb 0.14 -1.95 -0.01 0.00 -0.02 0.00 0.00 35.03 33.19 2dmj n LYS 94 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2dmj h THR 95 N 0.00 0.34 -0.28 -0.18 2.02 -1.25 -1.41 112.91 112.16 2dmj h THR 95 Ca 0.11 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.35 2dmj h THR 95 Cb 0.27 0.34 -0.08 0.00 -1.74 0.00 0.00 68.15 66.94 2dmj h THR 95 CO -0.63 0.00 -0.29 0.00 0.37 0.00 0.00 175.52 174.97 2dmj h ALA 96 N 0.90 -0.19 -0.39 6.16 0.00 0.15 -1.70 119.26 124.17 2dmj h ALA 96 Ca 0.17 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.24 2dmj h ALA 96 Cb 0.48 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 2dmj h ALA 96 CO -0.47 -0.71 -0.12 0.93 0.00 0.00 0.00 179.25 178.87 2dmj h GLU 97 N -0.28 -0.03 -0.84 0.00 5.08 0.03 -0.97 114.58 117.56 2dmj h GLU 97 Ca 0.14 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.66 2dmj h GLU 97 Cb 0.51 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.67 2dmj h GLU 97 CO -0.44 -0.02 0.41 0.00 -1.00 0.00 0.00 179.01 177.96 2dmj h ALA 98 N 1.33 1.26 -6.71 3.43 0.00 -0.43 -3.46 119.26 114.67 2dmj h ALA 98 Ca 0.19 0.10 -0.47 0.00 0.00 0.00 0.00 54.91 54.73 2dmj h ALA 98 Cb 0.33 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.14 2dmj h ALA 98 CO -0.42 -0.14 -1.14 0.41 0.00 0.00 0.00 179.25 177.96 2dmj n GLY 99 N -1.33 -0.92 3.37 0.00 0.00 -0.37 -4.72 105.19 101.22 2dmj n GLY 99 Ca 0.17 0.76 -0.47 0.00 0.00 0.00 0.00 46.02 46.48 2dmj n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmj n GLY 100 N -1.26 -1.83 3.55 -0.02 0.00 -1.26 -4.89 105.19 99.47 2dmj n GLY 100 Ca -0.26 0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2dmj n GLY 100 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmj s SER 101 N -0.99 6.18 -0.25 1.61 1.04 -1.26 -4.93 113.70 115.10 2dmj s SER 101 Ca 0.63 -0.18 -0.12 0.00 0.48 0.00 0.00 55.95 56.76 2dmj s SER 101 Cb -0.89 -2.20 0.09 0.00 0.10 0.00 0.00 66.02 63.11 2dmj s SER 101 CO 0.56 -0.32 0.59 -0.83 0.98 0.00 0.00 173.24 174.22 2dmj s GLY 102 N 1.73 -0.56 0.49 7.32 0.00 -1.26 -5.16 107.32 109.88 2dmj s GLY 102 Ca 0.12 2.12 -0.21 0.00 0.00 0.00 0.00 44.72 46.74 2dmj s GLY 102 CO 0.12 2.39 1.15 2.56 0.00 0.00 0.00 173.10 179.31 2dmj s PRO 103 N 1.95 3.59 -0.16 2.90 0.04 -1.26 -4.80 135.00 137.27 2dmj s PRO 103 Ca -0.08 1.70 -0.06 0.00 0.04 0.00 0.00 61.00 62.60 2dmj s PRO 103 Cb -0.08 -2.24 0.08 0.00 0.04 0.00 0.00 34.50 32.30 2dmj s PRO 103 CO -0.17 -0.67 0.34 -1.54 0.04 0.00 0.00 177.00 174.99 2dmj s SER 104 N -1.53 0.03 -0.18 6.66 1.04 -1.26 -5.08 113.70 113.38 2dmj s SER 104 Ca 0.67 0.79 -0.14 0.00 0.48 0.00 0.00 55.95 57.75 2dmj s SER 104 Cb -0.27 0.99 -0.04 0.00 0.10 0.00 0.00 66.02 66.81 2dmj s SER 104 CO 0.31 -0.23 0.31 -0.44 0.98 0.00 0.00 173.24 174.17 2dmj s SER 105 N 2.45 6.40 0.00 7.02 0.01 -1.26 -5.16 113.70 123.15 2dmj s SER 105 Ca -0.01 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.71 2dmj s SER 105 Cb -0.12 -2.19 0.00 0.00 0.21 0.00 0.00 66.02 63.92 2dmj s SER 105 CO -0.11 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.19