#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 4.37 0.00 1.61 0.15 -1.26 -5.14 113.70 113.43 2dmj s SER 2 Ca 0.00 -0.52 -0.23 0.00 0.70 0.00 0.00 55.95 55.90 2dmj s SER 2 Cb 0.00 -0.79 0.05 0.00 -1.71 0.00 0.00 66.02 63.57 2dmj s SER 2 CO 0.00 0.11 0.51 -0.94 1.20 0.00 0.00 173.24 174.12 2dmj s SER 3 N -2.78 -0.44 0.00 5.45 1.04 -1.26 -5.18 113.70 110.54 2dmj s SER 3 Ca 0.25 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.98 2dmj s SER 3 Cb -0.09 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2dmj s SER 3 CO 0.16 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.37 2dmj n GLY 4 N 0.76 1.28 3.10 7.32 0.00 -1.26 -5.18 105.19 111.22 2dmj n GLY 4 Ca -0.19 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.10 0.24 1.61 0.15 -1.26 -5.17 113.70 109.17 2dmj s SER 5 Ca 0.00 0.09 0.11 0.00 0.70 0.00 0.00 55.95 56.85 2dmj s SER 5 Cb 0.00 0.30 -0.05 0.00 -1.71 0.00 0.00 66.02 64.56 2dmj s SER 5 CO 0.00 -0.24 -0.20 -0.55 1.20 0.00 0.00 173.24 173.45 2dmj s SER 6 N -0.69 3.31 0.00 5.45 0.15 -1.26 -5.12 113.70 115.55 2dmj s SER 6 Ca -0.08 -0.97 0.00 0.00 0.70 0.00 0.00 55.95 55.60 2dmj s SER 6 Cb -0.05 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2dmj s SER 6 CO 0.01 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.08 2dmj n GLY 7 N -0.28 2.74 3.63 9.45 0.00 -1.26 -5.16 105.19 114.31 2dmj n GLY 7 Ca -0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 2dmj n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2dmj s MET 8 N 4.82 0.57 -0.43 1.61 0.00 -1.26 -5.12 119.30 119.50 2dmj s MET 8 Ca 0.00 1.40 0.03 0.00 0.00 0.00 0.00 55.69 57.12 2dmj s MET 8 Cb 0.00 0.82 0.12 0.00 0.00 0.00 0.00 34.83 35.77 2dmj s MET 8 CO 0.00 -0.19 0.19 0.00 0.00 0.00 0.00 175.02 175.01 2dmj s ALA 9 N 2.82 2.58 -0.00 4.11 0.00 -1.26 -5.09 121.76 124.92 2dmj s ALA 9 Ca -0.06 -2.67 -0.12 0.00 0.00 0.00 0.00 51.96 49.11 2dmj s ALA 9 Cb -0.11 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.07 2dmj s ALA 9 CO -0.19 -1.92 0.25 -1.21 0.00 0.00 0.00 175.76 172.70 2dmj s GLU 10 N 0.44 0.62 -0.01 0.00 0.41 -1.26 -5.04 118.70 113.87 2dmj s GLU 10 Ca 0.15 -0.28 -0.03 0.00 -0.41 0.00 0.00 54.97 54.40 2dmj s GLU 10 Cb -0.23 0.27 -0.11 0.00 -1.78 0.00 0.00 34.13 32.28 2dmj s GLU 10 CO -0.05 -0.17 2.68 0.43 -0.49 0.00 0.00 175.26 177.66 2dmj n SER 11 N 1.27 5.32 -3.84 -0.19 7.64 -1.26 -4.73 113.62 117.84 2dmj n SER 11 Ca -0.22 -2.45 -0.28 0.00 1.01 0.00 0.00 58.87 56.93 2dmj n SER 11 Cb 0.56 -1.25 -0.16 0.00 -1.01 0.00 0.00 64.21 62.35 2dmj n SER 11 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dmj s SER 12 N 1.97 3.13 -0.31 6.43 0.01 -1.26 -5.00 113.70 118.67 2dmj s SER 12 Ca 0.29 -0.86 0.13 0.00 1.31 0.00 0.00 55.95 56.81 2dmj s SER 12 Cb 0.14 -0.85 0.47 0.00 0.21 0.00 0.00 66.02 65.99 2dmj s SER 12 CO -0.00 -0.25 1.12 0.47 0.41 0.00 0.00 173.24 174.99 2dmj n ASP 13 N 4.89 3.45 -4.72 2.44 9.92 -1.26 -5.07 116.55 126.20 2dmj n ASP 13 Ca -0.11 -3.10 -0.42 0.00 -0.53 0.00 0.00 54.79 50.64 2dmj n ASP 13 Cb 0.46 -0.43 -0.03 0.00 -0.64 0.00 0.00 41.12 40.48 2dmj n ASP 13 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2dmj s LYS 14 N -3.59 4.56 0.21 -1.24 -0.14 -1.26 -4.95 119.74 113.33 2dmj s LYS 14 Ca 0.40 1.55 -0.10 0.00 -1.36 0.00 0.00 55.97 56.46 2dmj s LYS 14 Cb 0.39 -3.40 0.28 0.00 -1.68 0.00 0.00 37.83 33.42 2dmj s LYS 14 CO -0.02 -0.04 1.73 -0.07 -0.76 0.00 0.00 175.35 176.18 2dmj h LEU 15 N 6.39 0.13 -9.54 3.17 -0.00 -1.94 -3.44 115.31 110.08 2dmj h LEU 15 Ca -0.42 0.09 -0.58 0.00 -0.00 0.00 0.00 57.88 56.97 2dmj h LEU 15 Cb 1.22 0.10 -0.13 0.00 -0.00 0.00 0.00 40.66 41.84 2dmj h LEU 15 CO 0.76 0.08 -0.60 -0.31 -0.00 0.00 0.00 178.44 178.37 2dmj s TYR 16 N -6.10 2.31 -0.29 1.13 1.51 -1.25 -2.45 117.35 112.22 2dmj s TYR 16 Ca -0.13 -0.78 -0.00 0.00 -1.01 0.00 0.00 57.07 55.15 2dmj s TYR 16 Cb 0.17 -1.61 0.18 0.00 -0.11 0.00 0.00 41.96 40.59 2dmj s TYR 16 CO 0.74 0.29 0.54 0.50 -1.11 0.00 0.00 175.55 176.52 2dmj s ARG 17 N -3.77 0.52 -0.20 -0.62 3.52 -0.97 -1.94 118.95 115.49 2dmj s ARG 17 Ca 0.34 0.81 -0.08 0.00 -0.13 0.00 0.00 55.73 56.67 2dmj s ARG 17 Cb 0.09 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.70 2dmj s ARG 17 CO 0.17 -0.70 0.08 0.54 -0.81 0.00 0.00 175.30 174.57 2dmj s VAL 18 N 2.78 4.85 0.27 7.11 0.11 0.14 -1.63 120.40 134.02 2dmj s VAL 18 Ca 0.17 -0.01 -0.20 0.00 -2.93 0.00 0.00 61.98 59.02 2dmj s VAL 18 Cb -0.14 -3.20 0.02 0.00 -1.53 0.00 0.00 36.38 31.52 2dmj s VAL 18 CO -0.21 0.44 0.68 -1.83 -3.33 0.00 0.00 175.10 170.84 2dmj s GLU 19 N 0.55 1.73 -0.34 1.54 -1.05 -1.13 -4.02 118.70 115.98 2dmj s GLU 19 Ca 0.04 -1.01 -0.29 0.00 -0.15 0.00 0.00 54.97 53.56 2dmj s GLU 19 Cb -0.13 0.59 0.02 0.00 -0.44 0.00 0.00 34.13 34.17 2dmj s GLU 19 CO 0.01 -0.78 1.14 0.71 0.95 0.00 0.00 175.26 177.29 2dmj s TYR 20 N -3.93 2.99 -0.36 4.83 2.02 -1.26 -2.76 117.35 118.88 2dmj s TYR 20 Ca 0.12 1.04 -0.33 0.00 -0.37 0.00 0.00 57.07 57.54 2dmj s TYR 20 Cb -0.05 -3.86 -0.14 0.00 -0.40 0.00 0.00 41.96 37.51 2dmj s TYR 20 CO 0.06 -1.08 1.25 0.00 -1.57 0.00 0.00 175.55 174.22 2dmj n ALA 21 N 7.20 -0.64 -0.05 3.71 0.00 -0.03 -4.74 120.51 125.96 2dmj n ALA 21 Ca 0.13 0.29 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 2dmj n ALA 21 Cb 0.47 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 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 4.38 0.41 -4.57 0.00 1.57 -1.91 -1.34 116.57 115.12 2dmj h LYS 22 Ca -0.24 -0.26 -0.28 0.00 -1.87 0.00 0.00 60.65 58.01 2dmj h LYS 22 Cb 0.98 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.18 2dmj h LYS 22 CO 0.72 0.85 -0.54 -1.54 -0.57 0.00 0.00 179.45 178.36 2dmj s SER 23 N -6.30 0.47 -0.60 0.86 1.04 -1.26 -4.74 113.70 103.17 2dmj s SER 23 Ca -0.14 -1.44 -0.02 0.00 0.48 0.00 0.00 55.95 54.84 2dmj s SER 23 Cb 0.05 0.44 0.33 0.00 0.10 0.00 0.00 66.02 66.94 2dmj s SER 23 CO 0.78 -0.92 2.12 0.61 0.98 0.00 0.00 173.24 176.80 2dmj n GLY 24 N -0.36 5.22 0.28 7.32 0.00 -1.26 -4.38 105.19 112.00 2dmj n GLY 24 Ca 0.03 -2.01 -0.07 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.34 0.42 -1.51 1.61 5.12 -1.26 -4.79 116.66 115.91 2dmj n ARG 25 Ca 0.52 0.17 -0.59 0.00 -1.93 0.00 0.00 57.85 56.01 2dmj n ARG 25 Cb 0.54 -1.23 -0.08 0.00 -1.16 0.00 0.00 32.46 30.53 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 -4.24 -2.79 -2.35 7.54 0.00 -1.26 -4.73 120.51 112.66 2dmj n ALA 26 Ca -0.11 0.54 -0.21 0.00 0.00 0.00 0.00 53.44 53.66 2dmj n ALA 26 Cb 0.41 -1.73 0.01 0.00 0.00 0.00 0.00 19.45 18.14 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 0.94 5.85 -0.16 0.00 1.04 -1.26 -2.47 113.70 117.63 2dmj s SER 27 Ca 0.91 0.11 -0.08 0.00 0.48 0.00 0.00 55.95 57.37 2dmj s SER 27 Cb -1.28 -1.39 -0.04 0.00 0.10 0.00 0.00 66.02 63.40 2dmj s SER 27 CO 0.62 -0.64 0.13 0.00 0.98 0.00 0.00 173.24 174.34 2dmj n LYS 29 N 2.72 2.30 0.01 0.00 4.76 -1.23 -3.02 118.16 123.70 2dmj n LYS 29 Ca -0.18 -2.94 0.00 0.00 -2.87 0.00 0.00 58.31 52.32 2dmj n LYS 29 Cb 0.54 -2.15 0.00 0.00 -1.84 0.00 0.00 35.03 31.57 2dmj n LYS 29 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2dmj n LYS 30 N -1.00 0.00 -0.20 1.97 3.00 -1.26 -4.87 118.16 115.81 2dmj n LYS 30 Ca 0.58 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.95 2dmj n LYS 30 Cb 1.36 -0.18 0.15 0.00 0.00 0.00 0.00 35.03 36.35 2dmj n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dmj n SER 32 N -0.42 -1.92 -4.54 0.00 2.88 -1.17 -4.95 113.62 103.49 2dmj n SER 32 Ca 0.13 -1.22 -0.26 0.00 -1.33 0.00 0.00 58.87 56.19 2dmj n SER 32 Cb 0.57 -2.05 -0.10 0.00 -0.75 0.00 0.00 64.21 61.88 2dmj n SER 32 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2dmj s GLU 33 N -7.13 1.89 -0.46 -1.46 2.02 -1.25 -4.92 118.70 107.39 2dmj s GLU 33 Ca 0.25 -2.10 -0.16 0.00 0.02 0.00 0.00 54.97 52.98 2dmj s GLU 33 Cb -0.13 -1.28 0.06 0.00 0.10 0.00 0.00 34.13 32.88 2dmj s GLU 33 CO 0.96 -0.18 0.42 -1.54 0.02 0.00 0.00 175.26 174.93 2dmj s SER 34 N -3.65 6.16 -0.19 -0.19 1.04 -1.26 -0.94 113.70 114.65 2dmj s SER 34 Ca 0.30 -1.16 -0.37 0.00 0.48 0.00 0.00 55.95 55.20 2dmj s SER 34 Cb 0.08 -2.20 -0.14 0.00 0.10 0.00 0.00 66.02 63.86 2dmj s SER 34 CO 0.15 -0.65 1.83 -0.38 0.98 0.00 0.00 173.24 175.17 2dmj n ILE 35 N 5.27 0.44 -2.26 -1.02 5.41 -1.03 -4.91 119.36 121.26 2dmj n ILE 35 Ca -0.11 -0.09 -0.37 0.00 1.00 0.00 0.00 62.75 63.19 2dmj n ILE 35 Cb 0.45 -1.56 -0.01 0.00 -0.71 0.00 0.00 39.64 37.81 2dmj n ILE 35 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2dmj s PRO 36 N 3.92 3.68 0.53 0.38 0.04 -1.26 -4.30 135.00 138.00 2dmj s PRO 36 Ca 0.96 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 63.55 2dmj s PRO 36 Cb -0.88 -2.33 -0.06 0.00 0.04 0.00 0.00 34.50 31.26 2dmj s PRO 36 CO 0.59 -0.61 1.11 0.21 0.04 0.00 0.00 177.00 178.34 2dmj s LYS 37 N -2.81 3.44 -1.14 4.56 2.20 -1.26 -3.61 119.74 121.13 2dmj s LYS 37 Ca 0.65 1.55 -0.05 0.00 -0.36 0.00 0.00 55.97 57.76 2dmj s LYS 37 Cb -0.28 -2.02 0.01 0.00 -1.51 0.00 0.00 37.83 34.02 2dmj s LYS 37 CO 0.33 -0.76 0.98 -3.47 -0.36 0.00 0.00 175.35 172.07 2dmj n ASP 38 N -1.25 -4.61 -4.06 1.43 2.03 -0.50 -4.94 116.55 104.64 2dmj n ASP 38 Ca 0.11 -0.49 -0.18 0.00 0.52 0.00 0.00 54.79 54.74 2dmj n ASP 38 Cb 0.51 -4.48 -0.14 0.00 -0.72 0.00 0.00 41.12 36.30 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 -3.57 1.19 -0.16 1.67 1.04 -1.24 -4.84 113.70 107.79 2dmj s SER 39 Ca 0.35 -0.27 -0.29 0.00 0.48 0.00 0.00 55.95 56.22 2dmj s SER 39 Cb -0.15 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 2dmj s SER 39 CO 0.64 0.07 1.67 -0.22 0.98 0.00 0.00 173.24 176.37 2dmj s LEU 40 N -0.56 4.01 0.32 2.42 2.96 -1.26 -0.85 118.68 125.72 2dmj s LEU 40 Ca 0.02 1.84 0.03 0.00 -0.22 0.00 0.00 54.13 55.80 2dmj s LEU 40 Cb -0.05 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 2dmj s LEU 40 CO 0.00 -1.19 0.12 0.00 -1.32 0.00 0.00 176.35 173.96 2dmj s ARG 41 N 4.57 1.63 0.33 1.98 1.70 -1.11 -3.17 118.95 124.87 2dmj s ARG 41 Ca 0.74 -1.93 0.05 0.00 -0.47 0.00 0.00 55.73 54.12 2dmj s ARG 41 Cb -0.28 -0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 33.65 2dmj s ARG 41 CO 0.30 -0.37 0.02 -1.64 -1.08 0.00 0.00 175.30 172.52 2dmj s MET 42 N -3.86 1.67 -0.13 3.89 -1.94 -0.76 -2.86 119.30 115.32 2dmj s MET 42 Ca 0.34 -1.91 -0.04 0.00 -1.71 0.00 0.00 55.69 52.37 2dmj s MET 42 Cb 0.06 -1.06 0.05 0.00 2.01 0.00 0.00 34.83 35.89 2dmj s MET 42 CO 0.16 -0.11 0.08 0.00 -0.01 0.00 0.00 175.02 175.13 2dmj s ALA 43 N -3.13 0.41 -0.17 3.03 0.00 -0.65 -1.93 121.76 119.33 2dmj s ALA 43 Ca 0.34 -0.18 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 2dmj s ALA 43 Cb 0.08 -0.91 -0.05 0.00 0.00 0.00 0.00 23.12 22.23 2dmj s ALA 43 CO 0.15 -0.96 0.23 0.42 0.00 0.00 0.00 175.76 175.61 2dmj s ILE 44 N 2.13 5.34 -0.61 0.00 1.01 0.68 -2.28 121.20 127.47 2dmj s ILE 44 Ca 0.03 0.42 -0.20 0.00 0.00 0.00 0.00 60.65 60.89 2dmj s ILE 44 Cb -0.15 -3.57 0.09 0.00 0.01 0.00 0.00 42.46 38.84 2dmj s ILE 44 CO -0.07 0.42 0.80 -0.04 0.00 0.00 0.00 174.94 176.05 2dmj s MET 45 N 0.36 3.08 0.38 2.79 -1.94 -1.02 -0.87 119.30 122.07 2dmj s MET 45 Ca 0.14 -1.10 0.07 0.00 -1.71 0.00 0.00 55.69 53.09 2dmj s MET 45 Cb -0.12 -4.24 -0.07 0.00 2.01 0.00 0.00 34.83 32.40 2dmj s MET 45 CO 0.02 -1.63 -0.02 0.14 -0.01 0.00 0.00 175.02 173.52 2dmj s VAL 46 N 3.21 1.98 -0.23 -6.03 -7.23 -1.19 -4.93 120.40 105.99 2dmj s VAL 46 Ca 0.16 -2.07 -0.13 0.00 -1.81 0.00 0.00 61.98 58.13 2dmj s VAL 46 Cb -0.21 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 33.84 2dmj s VAL 46 CO 0.08 -0.08 0.28 -1.58 -0.31 0.00 0.00 175.10 173.50 2dmj s GLN 47 N -3.70 4.11 0.34 4.82 -0.44 -1.26 -0.31 119.66 123.21 2dmj s GLN 47 Ca 0.34 -0.04 -0.26 0.00 -2.50 0.00 0.00 55.36 52.90 2dmj s GLN 47 Cb 0.07 -3.55 -0.10 0.00 -1.64 0.00 0.00 33.01 27.79 2dmj s GLN 47 CO 0.17 -0.02 0.98 0.45 0.50 0.00 0.00 175.29 177.37 2dmj s SER 48 N 1.13 7.19 0.11 6.67 0.15 -1.03 -4.96 113.70 122.96 2dmj s SER 48 Ca 0.13 1.92 -0.14 0.00 0.70 0.00 0.00 55.95 58.56 2dmj s SER 48 Cb -0.14 -2.59 -0.08 0.00 -1.71 0.00 0.00 66.02 61.51 2dmj s SER 48 CO 0.07 -0.17 1.43 1.55 1.20 0.00 0.00 173.24 177.31 2dmj h PRO 49 N 3.07 0.74 0.07 5.44 0.13 -1.98 -3.30 132.00 136.19 2dmj h PRO 49 Ca -0.47 -0.39 -0.18 0.00 -0.87 0.00 0.00 66.00 64.09 2dmj h PRO 49 Cb 1.20 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.36 2dmj h PRO 49 CO 0.64 1.01 -0.76 0.52 -0.23 0.00 0.00 178.00 179.18 2dmj h MET 50 N 0.50 0.39 -7.56 0.86 2.86 -1.99 -3.46 114.93 106.53 2dmj h MET 50 Ca 0.05 -0.51 -0.45 0.00 -2.06 0.00 0.00 59.70 56.72 2dmj h MET 50 Cb 0.87 0.17 0.14 0.00 0.06 0.00 0.00 31.60 32.84 2dmj h MET 50 CO 0.07 1.19 0.32 0.12 1.06 0.00 0.00 176.91 179.67 2dmj s PHE 51 N -2.86 2.18 -0.35 -0.22 5.36 -1.24 -5.00 117.98 115.85 2dmj s PHE 51 Ca -0.13 0.70 0.06 0.00 -0.96 0.00 0.00 56.93 56.60 2dmj s PHE 51 Cb 0.03 -3.54 0.45 0.00 -0.34 0.00 0.00 43.02 39.62 2dmj s PHE 51 CO 0.84 -2.51 1.30 -3.47 -1.46 0.00 0.00 175.22 169.91 2dmj n ASP 52 N -3.82 5.28 0.00 6.13 2.03 -1.26 -4.66 116.55 120.25 2dmj n ASP 52 Ca 0.09 -3.75 0.00 0.00 0.52 0.00 0.00 54.79 51.65 2dmj n ASP 52 Cb 0.60 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 2dmj n ASP 52 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dmj n GLY 53 N -0.72 2.45 3.73 0.27 0.00 -1.26 -5.08 105.19 104.59 2dmj n GLY 53 Ca 0.46 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 1.29 3.33 -0.04 1.61 1.02 -1.26 -2.48 119.74 123.22 2dmj s LYS 54 Ca 0.00 -0.31 0.07 0.00 0.02 0.00 0.00 55.97 55.75 2dmj s LYS 54 Cb 0.00 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.29 2dmj s LYS 54 CO 0.00 0.64 -0.24 0.14 -0.92 0.00 0.00 175.35 174.97 2dmj s VAL 55 N -0.67 1.94 -0.14 3.17 -7.23 0.58 -4.93 120.40 113.11 2dmj s VAL 55 Ca 0.12 -1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.97 2dmj s VAL 55 Cb -0.12 -1.63 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 2dmj s VAL 55 CO 0.02 0.54 1.56 -2.16 -0.31 0.00 0.00 175.10 174.76 2dmj s PRO 56 N -0.35 4.04 -0.35 4.82 0.04 -1.26 -3.16 135.00 138.78 2dmj s PRO 56 Ca 0.03 1.87 -0.10 0.00 0.04 0.00 0.00 61.00 62.85 2dmj s PRO 56 Cb -0.11 -3.96 0.02 0.00 0.04 0.00 0.00 34.50 30.49 2dmj s PRO 56 CO 0.01 -0.99 0.17 -1.01 0.04 0.00 0.00 177.00 175.22 2dmj s HIS 57 N 4.37 3.22 -0.10 0.56 3.76 -0.05 -4.91 115.29 122.15 2dmj s HIS 57 Ca 0.69 -0.96 -0.23 0.00 -0.15 0.00 0.00 55.06 54.40 2dmj s HIS 57 Cb -0.28 -2.38 -0.03 0.00 1.11 0.00 0.00 32.58 31.00 2dmj s HIS 57 CO 0.26 -0.62 0.71 -1.58 -0.85 0.00 0.00 174.74 172.66 2dmj s TRP 58 N 1.53 3.53 0.02 1.40 0.52 -1.26 -0.23 118.94 124.46 2dmj s TRP 58 Ca 0.02 1.21 0.04 0.00 0.02 0.00 0.00 56.10 57.39 2dmj s TRP 58 Cb -0.19 -2.83 -0.02 0.00 -1.15 0.00 0.00 33.47 29.28 2dmj s TRP 58 CO 0.06 0.01 -0.13 0.71 0.02 0.00 0.00 176.95 177.61 2dmj s TYR 59 N 1.12 1.17 0.50 -1.98 2.02 -0.81 -3.58 117.35 115.79 2dmj s TYR 59 Ca 0.36 -0.31 -0.23 0.00 -0.37 0.00 0.00 57.07 56.52 2dmj s TYR 59 Cb -0.17 -0.71 -0.06 0.00 -0.40 0.00 0.00 41.96 40.61 2dmj s TYR 59 CO 0.16 0.02 1.36 -1.01 -1.57 0.00 0.00 175.55 174.51 2dmj s HIS 60 N -0.70 2.41 0.44 2.71 3.76 -1.26 -1.82 115.29 120.83 2dmj s HIS 60 Ca 0.02 1.35 0.36 0.00 -0.15 0.00 0.00 55.06 56.64 2dmj s HIS 60 Cb -0.07 -3.80 1.43 0.00 1.11 0.00 0.00 32.58 31.25 2dmj s HIS 60 CO 0.01 -2.76 1.41 0.34 -0.85 0.00 0.00 174.74 172.88 2dmj n PHE 61 N -0.65 0.39 -0.11 1.40 7.35 -1.19 -0.16 117.46 124.49 2dmj n PHE 61 Ca 0.08 0.40 -0.21 0.00 -0.76 0.00 0.00 57.45 56.95 2dmj n PHE 61 Cb 0.44 -0.83 -0.09 0.00 0.35 0.00 0.00 39.48 39.35 2dmj n PHE 61 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2dmj n SER 62 N -4.21 1.88 -0.27 -2.13 3.41 -1.26 -4.29 113.62 106.75 2dmj n SER 62 Ca 0.38 0.42 0.09 0.00 -0.26 0.00 0.00 58.87 59.50 2dmj n SER 62 Cb 1.58 -0.90 0.22 0.00 -0.26 0.00 0.00 64.21 64.84 2dmj n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dmj h PHE 64 N 0.21 0.39 0.10 0.00 3.57 -0.76 0.36 116.94 120.82 2dmj h PHE 64 Ca 0.47 0.01 -0.29 0.00 3.53 0.00 0.00 57.97 61.69 2dmj h PHE 64 Cb 0.88 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 2dmj h PHE 64 CO -0.30 0.10 -1.46 -1.49 -2.23 0.00 0.00 178.31 172.93 2dmj h TRP 65 N 0.29 0.39 -0.18 0.41 -0.00 -0.10 -3.26 115.95 113.50 2dmj h TRP 65 Ca 0.45 -0.29 0.05 0.00 -0.00 0.00 0.00 58.89 59.10 2dmj h TRP 65 Cb 1.27 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.16 30.37 2dmj h TRP 65 CO -0.00 1.31 -0.13 0.87 -0.00 0.00 0.00 178.44 180.49 2dmj h LYS 66 N 0.06 -0.13 -0.42 0.49 1.57 0.67 0.11 116.57 118.91 2dmj h LYS 66 Ca -0.21 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.70 2dmj h LYS 66 Cb 1.99 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 34.31 2dmj h LYS 66 CO 0.16 -0.09 0.45 -0.39 -0.57 0.00 0.00 179.45 179.01 2dmj h VAL 67 N -0.14 0.38 -0.49 0.50 -1.51 -1.55 -3.45 116.25 109.99 2dmj h VAL 67 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.58 2dmj h VAL 67 Cb 0.30 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 2dmj h VAL 67 CO -0.26 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.69 2dmj n GLY 68 N -1.50 0.63 2.72 5.19 0.00 0.03 -5.03 105.19 107.23 2dmj n GLY 68 Ca 0.08 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2dmj n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dmj n HIS 69 N -0.42 3.20 -0.87 1.61 8.25 -1.23 -5.06 115.22 120.71 2dmj n HIS 69 Ca 0.00 -2.74 -0.35 0.00 -0.26 0.00 0.00 57.72 54.38 2dmj n HIS 69 Cb 0.14 -0.68 0.09 0.00 1.12 0.00 0.00 29.99 30.67 2dmj n HIS 69 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2dmj n SER 70 N -0.49 -3.54 -3.70 0.41 7.64 -1.26 -4.92 113.62 107.76 2dmj n SER 70 Ca 0.46 0.15 -0.14 0.00 1.01 0.00 0.00 58.87 60.36 2dmj n SER 70 Cb 0.43 -0.92 -0.14 0.00 -1.01 0.00 0.00 64.21 62.57 2dmj n SER 70 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2dmj s ILE 71 N -2.18 -0.20 0.02 0.44 1.01 -1.26 -5.07 121.20 113.96 2dmj s ILE 71 Ca 0.48 0.23 -0.22 0.00 0.00 0.00 0.00 60.65 61.14 2dmj s ILE 71 Cb -0.14 -0.37 -0.12 0.00 0.01 0.00 0.00 42.46 41.84 2dmj s ILE 71 CO 0.72 0.10 1.13 0.03 0.00 0.00 0.00 174.94 176.91 2dmj h ARG 72 N 7.75 -0.77 -3.09 2.79 3.08 -1.95 -3.39 114.38 118.81 2dmj h ARG 72 Ca -0.28 0.05 -0.61 0.00 0.07 0.00 0.00 59.98 59.22 2dmj h ARG 72 Cb 1.13 0.17 -0.40 0.00 0.08 0.00 0.00 29.97 30.96 2dmj h ARG 72 CO 0.26 -0.51 -0.74 -1.01 -1.07 0.00 0.00 179.97 176.90 2dmj s HIS 73 N -4.41 1.95 -0.36 3.04 3.76 -1.26 -4.79 115.29 113.22 2dmj s HIS 73 Ca -0.12 -2.33 0.25 0.00 -0.15 0.00 0.00 55.06 52.72 2dmj s HIS 73 Cb 0.01 -1.87 1.07 0.00 1.11 0.00 0.00 32.58 32.90 2dmj s HIS 73 CO 0.35 -0.80 1.76 -1.00 -0.85 0.00 0.00 174.74 174.20 2dmj h PRO 74 N 6.93 0.00 -0.61 8.40 0.13 -1.93 -0.80 132.00 144.12 2dmj h PRO 74 Ca -0.03 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.13 2dmj h PRO 74 Cb 0.94 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 2dmj h PRO 74 CO 0.48 0.00 0.38 0.22 -0.23 0.00 0.00 178.00 178.84 2dmj h ASP 75 N 0.00 0.62 0.00 1.44 1.82 -1.93 0.10 116.42 118.47 2dmj h ASP 75 Ca 0.00 0.00 -0.24 0.00 -0.39 0.00 0.00 57.03 56.40 2dmj h ASP 75 Cb 0.38 -0.13 -0.05 0.00 0.68 0.00 0.00 39.33 40.21 2dmj h ASP 75 CO 0.00 0.43 -1.97 1.33 -1.61 0.00 0.00 179.24 177.42 2dmj n VAL 76 N -4.72 0.91 -0.03 2.25 0.24 -1.18 -4.46 118.33 111.33 2dmj n VAL 76 Ca 0.06 -0.59 -0.15 0.00 -2.04 0.00 0.00 64.34 61.62 2dmj n VAL 76 Cb 0.08 -0.55 -0.10 0.00 -1.47 0.00 0.00 33.84 31.79 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 0.22 -5.54 7.34 5.08 -1.19 -3.43 114.58 117.06 2dmj h GLU 77 Ca -0.36 -0.19 -0.59 0.00 -1.00 0.00 0.00 59.36 57.21 2dmj h GLU 77 Cb 1.79 0.04 -0.10 0.00 0.50 0.00 0.00 28.75 30.98 2dmj h GLU 77 CO 0.02 0.86 -0.14 0.08 -1.00 0.00 0.00 179.01 178.83 2dmj s VAL 78 N -3.48 5.17 0.01 3.13 1.01 0.36 -3.91 120.40 122.69 2dmj s VAL 78 Ca -0.15 0.84 -0.30 0.00 0.00 0.00 0.00 61.98 62.37 2dmj s VAL 78 Cb 0.02 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2dmj s VAL 78 CO 0.75 0.25 1.02 -0.62 0.00 0.00 0.00 175.10 176.50 2dmj s ASP 79 N 0.94 7.31 0.00 3.32 -1.08 -0.82 -3.67 116.67 122.67 2dmj s ASP 79 Ca 0.22 1.73 0.00 0.00 -0.52 0.00 0.00 52.55 53.99 2dmj s ASP 79 Cb -0.15 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 2dmj s ASP 79 CO 0.09 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.09 2dmj n GLY 80 N 2.95 2.42 0.33 2.66 0.00 -1.26 0.25 105.19 112.55 2dmj n GLY 80 Ca 0.07 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.35 -0.31 1.61 7.35 -1.24 0.11 117.46 124.63 2dmj n PHE 81 Ca 0.00 0.99 0.16 0.00 -0.76 0.00 0.00 57.45 57.83 2dmj n PHE 81 Cb 0.00 -0.56 0.34 0.00 0.35 0.00 0.00 39.48 39.62 2dmj n PHE 81 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2dmj h SER 82 N 0.00 0.33 -0.68 -2.13 0.87 -1.85 0.30 113.55 110.38 2dmj h SER 82 Ca 0.13 0.17 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 2dmj h SER 82 Cb 0.32 0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 2dmj h SER 82 CO -0.74 -0.05 0.29 -0.33 -0.53 0.00 0.00 176.83 175.47 2dmj h GLU 83 N 0.36 1.01 -6.55 2.24 5.08 0.39 -3.44 114.58 113.66 2dmj h GLU 83 Ca 0.60 -0.17 -0.56 0.00 -1.00 0.00 0.00 59.36 58.22 2dmj h GLU 83 Cb 1.20 -0.17 0.19 0.00 0.50 0.00 0.00 28.75 30.47 2dmj h GLU 83 CO -0.56 0.83 -0.55 1.28 -1.00 0.00 0.00 179.01 179.00 2dmj n LEU 84 N -4.41 0.02 -4.51 1.33 4.77 0.10 -4.95 117.00 109.37 2dmj n LEU 84 Ca 0.05 0.58 -0.29 0.00 -0.03 0.00 0.00 56.01 56.32 2dmj n LEU 84 Cb 0.16 -1.16 0.24 0.00 -2.33 0.00 0.00 43.42 40.34 2dmj n LEU 84 CO 0.39 -3.43 0.54 -0.13 -1.33 0.00 0.00 177.39 173.43 2dmj s ARG 85 N -2.54 -1.20 0.05 3.23 0.52 -1.26 -4.70 118.95 113.05 2dmj s ARG 85 Ca 0.63 0.41 -0.33 0.00 -0.52 0.00 0.00 55.73 55.92 2dmj s ARG 85 Cb -0.35 -1.56 -0.19 0.00 0.52 0.00 0.00 34.95 33.37 2dmj s ARG 85 CO 0.60 -3.80 1.46 2.35 0.02 0.00 0.00 175.30 175.93 2dmj h TRP 86 N -2.66 -1.03 -0.48 -0.53 7.01 -1.94 -0.29 115.95 116.03 2dmj h TRP 86 Ca -0.53 -0.02 0.09 0.00 2.11 0.00 0.00 58.89 60.54 2dmj h TRP 86 Cb 1.33 0.34 -0.10 0.00 -2.10 0.00 0.00 29.16 28.63 2dmj h TRP 86 CO -0.98 -0.63 -0.29 0.22 -2.79 0.00 0.00 178.44 173.97 2dmj h ASP 87 N -1.20 -0.99 -0.16 2.65 3.58 -2.01 -1.24 116.42 117.05 2dmj h ASP 87 Ca -0.11 0.20 0.03 0.00 0.42 0.00 0.00 57.03 57.57 2dmj h ASP 87 Cb 0.86 0.49 -0.03 0.00 1.72 0.00 0.00 39.33 42.37 2dmj h ASP 87 CO 0.19 -0.29 -0.04 0.44 -2.88 0.00 0.00 179.24 176.65 2dmj h ASP 88 N -0.18 -0.15 -0.91 2.28 5.19 -1.91 -2.15 116.42 118.58 2dmj h ASP 88 Ca 0.21 0.05 0.25 0.00 -0.62 0.00 0.00 57.03 56.92 2dmj h ASP 88 Cb 0.52 0.10 -0.15 0.00 0.18 0.00 0.00 39.33 39.98 2dmj h ASP 88 CO -0.59 -0.05 0.20 1.56 -3.12 0.00 0.00 179.24 177.24 2dmj h GLN 89 N 0.00 0.14 -0.40 3.56 4.20 0.15 0.57 115.11 123.33 2dmj h GLN 89 Ca 0.08 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 2dmj h GLN 89 Cb 0.12 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 2dmj h GLN 89 CO -0.17 0.09 -0.29 1.96 -0.67 0.00 0.00 178.83 179.75 2dmj h GLN 90 N 0.14 0.87 0.65 1.46 1.08 -0.91 -2.24 115.11 116.16 2dmj h GLN 90 Ca 0.58 -0.40 -0.03 0.00 -1.45 0.00 0.00 58.65 57.35 2dmj h GLN 90 Cb 1.20 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 2dmj h GLN 90 CO -0.73 1.04 -0.39 -0.22 -0.95 0.00 0.00 178.83 177.59 2dmj h LYS 91 N 0.74 -0.94 -0.90 1.46 3.64 0.67 -2.15 116.57 119.08 2dmj h LYS 91 Ca 0.08 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.59 2dmj h LYS 91 Cb 0.85 0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 2dmj h LYS 91 CO 0.07 -0.63 0.57 0.28 -2.27 0.00 0.00 179.45 177.48 2dmj h VAL 92 N -0.98 1.07 0.00 2.00 2.07 -1.18 -1.25 116.25 117.98 2dmj h VAL 92 Ca -0.08 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2dmj h VAL 92 Cb 0.79 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2dmj h VAL 92 CO 0.09 0.19 0.00 0.29 0.02 0.00 0.00 177.57 178.16 2dmj n LYS 93 N -4.58 0.00 0.00 1.57 5.02 -0.84 -0.69 118.16 118.64 2dmj n LYS 93 Ca 0.13 0.68 -0.11 0.00 -2.02 0.00 0.00 58.31 56.98 2dmj n LYS 93 Cb 0.17 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 2dmj n LYS 93 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2dmj h LYS 94 N 0.00 -0.42 -0.86 1.97 2.10 -1.35 -0.25 116.57 117.76 2dmj h LYS 94 Ca 0.00 0.03 0.21 0.00 -2.00 0.00 0.00 60.65 58.89 2dmj h LYS 94 Cb 0.00 0.10 -0.15 0.00 -0.90 0.00 0.00 32.23 31.27 2dmj h LYS 94 CO 0.00 -0.28 0.02 1.15 -2.00 0.00 0.00 179.45 178.34 2dmj h THR 95 N -0.44 0.22 -0.19 0.07 2.02 -1.17 0.15 112.91 113.57 2dmj h THR 95 Ca 0.09 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 2dmj h THR 95 Cb 0.58 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 2dmj h THR 95 CO -0.37 0.01 0.02 0.00 0.37 0.00 0.00 175.52 175.55 2dmj h ALA 96 N 1.82 0.25 -0.68 6.16 0.00 0.12 0.18 119.26 127.11 2dmj h ALA 96 Ca 0.49 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.33 2dmj h ALA 96 Cb 0.92 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 2dmj h ALA 96 CO -0.77 -0.06 0.25 0.93 0.00 0.00 0.00 179.25 179.61 2dmj h GLU 97 N 0.10 0.41 -0.05 0.00 5.08 0.93 -2.26 114.58 118.79 2dmj h GLU 97 Ca 0.06 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 2dmj h GLU 97 Cb 0.35 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.52 2dmj h GLU 97 CO 0.01 0.27 -0.62 0.00 -1.00 0.00 0.00 179.01 177.67 2dmj h ALA 98 N 1.48 0.14 -1.91 3.43 0.00 -0.96 -3.50 119.26 117.95 2dmj h ALA 98 Ca 0.36 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2dmj h ALA 98 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2dmj h ALA 98 CO -0.36 0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.72 2dmj n GLY 99 N 0.91 -1.01 0.71 0.00 0.00 0.61 -5.01 105.19 101.40 2dmj n GLY 99 Ca -0.09 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.16 -3.98 2.94 -0.02 0.00 -1.23 -4.97 105.19 97.76 2dmj n GLY 100 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 2dmj n GLY 100 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dmj s SER 101 N -1.12 4.40 -0.30 1.61 0.15 -1.26 -5.01 113.70 112.17 2dmj s SER 101 Ca 0.00 -2.53 -0.15 0.00 0.70 0.00 0.00 55.95 53.97 2dmj s SER 101 Cb 0.00 -1.51 0.18 0.00 -1.71 0.00 0.00 66.02 62.98 2dmj s SER 101 CO 0.00 -0.31 1.16 -0.83 1.20 0.00 0.00 173.24 174.46 2dmj s GLY 102 N 0.40 -0.69 0.00 9.45 0.00 -1.26 -5.00 107.32 110.21 2dmj s GLY 102 Ca 0.14 2.50 0.06 0.00 0.00 0.00 0.00 44.72 47.42 2dmj s GLY 102 CO -0.05 4.15 0.81 -1.55 0.00 0.00 0.00 173.10 176.45 2dmj n PRO 103 N 5.14 0.49 -2.55 2.90 -0.04 -1.26 -3.80 135.00 135.88 2dmj n PRO 103 Ca 0.06 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.11 2dmj n PRO 103 Cb 0.58 -1.19 -0.01 0.00 -0.04 0.00 0.00 33.50 32.84 2dmj n PRO 103 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmj s SER 104 N -1.70 6.63 -1.65 3.54 0.15 -1.26 -4.32 113.70 115.10 2dmj s SER 104 Ca 0.09 -2.04 -0.12 0.00 0.70 0.00 0.00 55.95 54.58 2dmj s SER 104 Cb 0.04 -2.58 0.11 0.00 -1.71 0.00 0.00 66.02 61.88 2dmj s SER 104 CO 0.07 -1.38 0.49 -0.24 1.20 0.00 0.00 173.24 173.38 2dmj n SER 105 N 8.86 -1.38 0.00 5.45 2.88 -1.26 -5.24 113.62 122.94 2dmj n SER 105 Ca 0.43 -1.12 0.00 0.00 -1.33 0.00 0.00 58.87 56.85 2dmj n SER 105 Cb 0.48 -2.30 0.00 0.00 -0.75 0.00 0.00 64.21 61.64 2dmj n SER 105 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42