#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hck n GLU 2 N 0.00 -3.30 -2.99 0.03 1.02 -1.26 -5.06 120.64 109.07 3hck n GLU 2 Ca 0.00 2.66 -0.09 0.00 -0.02 0.00 0.00 57.16 59.71 3hck n GLU 2 Cb 0.00 -4.66 -0.03 0.00 -0.02 0.00 0.00 31.44 26.73 3hck n GLU 2 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3hck n THR 3 N 1.06 0.00 -3.15 2.62 -2.24 -1.26 -5.13 114.28 106.19 3hck n THR 3 Ca -0.09 -1.08 -0.41 0.00 -2.27 0.00 0.00 64.05 60.19 3hck n THR 3 Cb 0.20 0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 68.91 3hck n THR 3 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hck s GLU 4 N -2.60 3.87 -0.49 -0.78 8.01 -1.26 -4.95 118.70 120.51 3hck s GLU 4 Ca 0.18 0.23 0.04 0.00 0.01 0.00 0.00 54.97 55.43 3hck s GLU 4 Cb 0.01 -3.73 0.41 0.00 -4.31 0.00 0.00 34.13 26.51 3hck s GLU 4 CO 0.13 -0.56 1.23 0.39 0.01 0.00 0.00 175.26 176.45 3hck n GLU 5 N 5.83 3.35 0.14 1.61 1.02 -1.26 -4.66 120.64 126.68 3hck n GLU 5 Ca -0.02 -4.37 0.12 0.00 -0.02 0.00 0.00 57.16 52.87 3hck n GLU 5 Cb 0.49 -2.25 0.13 0.00 -0.02 0.00 0.00 31.44 29.78 3hck n GLU 5 CO 0.00 0.00 0.00 0.11 1.18 0.00 0.00 177.13 178.42 3hck h TRP 6 N 2.61 0.00 -3.43 -0.32 5.08 -1.92 -3.45 115.95 114.52 3hck h TRP 6 Ca 0.34 0.00 -0.60 0.00 1.08 0.00 0.00 58.89 59.71 3hck h TRP 6 Cb 0.83 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.89 3hck h TRP 6 CO 0.87 0.00 -0.19 0.12 -1.28 0.00 0.00 178.44 177.96 3hck s PHE 7 N -3.25 3.40 0.08 0.12 5.36 -1.26 -2.04 117.98 120.40 3hck s PHE 7 Ca 0.04 0.67 0.06 0.00 -0.96 0.00 0.00 56.93 56.74 3hck s PHE 7 Cb 0.09 -2.52 -0.04 0.00 -0.34 0.00 0.00 43.02 40.21 3hck s PHE 7 CO 0.72 0.04 -0.06 -0.06 -1.46 0.00 0.00 175.22 174.39 3hck s PHE 8 N 1.14 2.86 0.10 10.12 0.40 -0.79 -5.01 117.98 126.79 3hck s PHE 8 Ca 0.20 -0.09 0.04 0.00 -0.60 0.00 0.00 56.93 56.49 3hck s PHE 8 Cb -0.15 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 3hck s PHE 8 CO 0.08 0.43 0.05 0.15 0.70 0.00 0.00 175.22 176.63 3hck s LYS 9 N -2.09 2.72 -1.02 0.44 1.02 -1.26 -4.01 119.74 115.53 3hck s LYS 9 Ca 0.22 -0.79 -0.23 0.00 0.02 0.00 0.00 55.97 55.19 3hck s LYS 9 Cb -0.11 -2.62 0.03 0.00 -0.52 0.00 0.00 37.83 34.61 3hck s LYS 9 CO 0.14 0.54 0.61 0.41 -0.92 0.00 0.00 175.35 176.13 3hck n GLY 10 N 0.40 -0.90 3.76 -3.33 0.00 -1.26 -4.94 105.19 98.92 3hck n GLY 10 Ca -0.09 0.38 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 3hck n GLY 10 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hck s ILE 11 N -3.42 3.70 0.18 -0.61 2.07 -1.26 -5.13 121.20 116.72 3hck s ILE 11 Ca 0.32 -1.61 0.07 0.00 -1.41 0.00 0.00 60.65 58.02 3hck s ILE 11 Cb -0.18 -3.11 -0.04 0.00 0.13 0.00 0.00 42.46 39.26 3hck s ILE 11 CO 0.88 -0.29 0.02 -0.94 -1.91 0.00 0.00 174.94 172.70 3hck s SER 12 N -3.82 4.85 0.38 4.50 1.04 -1.26 -4.95 113.70 114.44 3hck s SER 12 Ca 0.35 -0.37 0.16 0.00 0.48 0.00 0.00 55.95 56.56 3hck s SER 12 Cb -0.06 -1.06 0.76 0.00 0.10 0.00 0.00 66.02 65.76 3hck s SER 12 CO 0.23 0.08 1.81 -0.09 0.98 0.00 0.00 173.24 176.25 3hck h ARG 13 N 2.63 0.00 0.19 4.02 1.12 -2.00 0.73 114.38 121.08 3hck h ARG 13 Ca -0.47 0.00 -0.29 0.00 -1.11 0.00 0.00 59.98 58.11 3hck h ARG 13 Cb 1.20 0.00 0.03 0.00 -0.01 0.00 0.00 29.97 31.20 3hck h ARG 13 CO 0.59 0.37 -1.24 0.87 -3.11 0.00 0.00 179.97 177.45 3hck h LYS 14 N 0.00 0.50 -0.08 0.20 1.57 -1.97 -2.55 116.57 114.24 3hck h LYS 14 Ca -0.00 -0.80 -0.01 0.00 -1.87 0.00 0.00 60.65 57.97 3hck h LYS 14 Cb 0.73 0.29 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 3hck h LYS 14 CO 0.05 1.37 0.02 -0.44 -0.57 0.00 0.00 179.45 179.88 3hck h ASP 15 N 0.04 0.12 -0.48 0.86 5.19 -1.92 -0.97 116.42 119.27 3hck h ASP 15 Ca -0.21 -0.23 0.04 0.00 -0.62 0.00 0.00 57.03 56.02 3hck h ASP 15 Cb 1.96 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 41.41 3hck h ASP 15 CO 0.23 0.31 0.32 0.00 -3.12 0.00 0.00 179.24 176.99 3hck h ALA 16 N 0.81 1.85 0.00 3.45 0.00 -0.96 0.42 119.26 124.83 3hck h ALA 16 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hck h ALA 16 Cb 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hck h ALA 16 CO 0.00 0.08 0.00 0.93 0.00 0.00 0.00 179.25 180.26 3hck h GLU 17 N 0.48 0.00 0.01 0.00 5.08 -0.98 -1.79 114.58 117.37 3hck h GLU 17 Ca 0.20 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.27 3hck h GLU 17 Cb 0.20 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 3hck h GLU 17 CO -0.05 0.00 -1.71 0.54 -1.00 0.00 0.00 179.01 176.79 3hck n ARG 18 N -3.07 0.64 0.11 2.33 3.00 0.11 -2.33 116.66 117.45 3hck n ARG 18 Ca 0.02 0.30 -0.03 0.00 -0.01 0.00 0.00 57.85 58.13 3hck n ARG 18 Cb 0.38 -1.79 0.06 0.00 0.00 0.00 0.00 32.46 31.10 3hck n ARG 18 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 3hck h GLN 19 N 0.00 0.00 0.00 5.56 4.20 -0.39 0.31 115.11 124.79 3hck h GLN 19 Ca -0.29 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.37 3hck h GLN 19 Cb 2.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.78 3hck h GLN 19 CO 0.08 0.75 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.64 3hck h LEU 20 N 0.00 0.00 -0.50 1.46 3.38 -1.46 -3.27 115.31 114.92 3hck h LEU 20 Ca -0.01 -0.89 0.00 0.00 0.09 0.00 0.00 57.88 57.07 3hck h LEU 20 Cb 1.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.13 3hck h LEU 20 CO 0.10 1.11 0.00 0.18 0.09 0.00 0.00 178.44 179.92 3hck n LEU 21 N -4.57 0.47 -4.53 1.67 4.77 -0.98 -4.50 117.00 109.33 3hck n LEU 21 Ca -0.15 0.62 -0.31 0.00 -0.03 0.00 0.00 56.01 56.13 3hck n LEU 21 Cb 0.52 -0.56 0.17 0.00 -2.33 0.00 0.00 43.42 41.23 3hck n LEU 21 CO 0.31 -0.47 0.31 0.00 -1.33 0.00 0.00 177.39 176.20 3hck n ALA 22 N -1.69 -1.98 0.16 -1.18 0.00 0.10 -4.90 120.51 111.00 3hck n ALA 22 Ca 0.02 -0.73 0.03 0.00 0.00 0.00 0.00 53.44 52.76 3hck n ALA 22 Cb 0.21 -1.98 0.19 0.00 0.00 0.00 0.00 19.45 17.86 3hck n ALA 22 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3hck h PRO 23 N -1.93 0.00 -0.85 0.00 0.13 -1.86 -3.19 132.00 124.30 3hck h PRO 23 Ca -0.47 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 3hck h PRO 23 Cb 1.29 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.35 3hck h PRO 23 CO 0.40 0.50 0.51 0.78 -0.23 0.00 0.00 178.00 179.96 3hck h GLY 24 N 2.50 1.30 -2.27 1.56 0.00 -1.90 -3.42 103.07 100.83 3hck h GLY 24 Ca -0.01 -0.35 -0.44 0.00 0.00 0.00 0.00 47.33 46.53 3hck h GLY 24 CO 0.07 0.19 -0.25 -1.31 0.00 0.00 0.00 176.54 175.24 3hck s ASN 25 N -5.68 5.47 0.14 0.19 0.01 -1.21 -4.96 114.94 108.90 3hck s ASN 25 Ca -0.12 -0.55 -0.15 0.00 -0.71 0.00 0.00 52.86 51.32 3hck s ASN 25 Cb 0.19 -0.46 0.03 0.00 0.41 0.00 0.00 41.25 41.41 3hck s ASN 25 CO 0.79 -0.85 0.40 0.00 -1.51 0.00 0.00 177.10 175.93 3hck s MET 26 N -4.38 1.13 -0.61 -0.60 0.23 -1.26 -4.77 119.30 109.04 3hck s MET 26 Ca 0.55 -0.80 -0.41 0.00 -1.03 0.00 0.00 55.69 54.01 3hck s MET 26 Cb -0.08 0.46 -0.19 0.00 -1.53 0.00 0.00 34.83 33.49 3hck s MET 26 CO 0.33 -0.44 2.27 1.28 -2.03 0.00 0.00 175.02 176.43 3hck n LEU 27 N -0.24 0.68 0.00 0.18 4.77 -1.26 -0.53 117.00 120.59 3hck n LEU 27 Ca -0.14 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.39 3hck n LEU 27 Cb 0.63 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3hck n LEU 27 CO 0.18 -0.76 0.00 0.61 -1.33 0.00 0.00 177.39 176.09 3hck n GLY 28 N 7.24 1.24 3.71 -0.72 0.00 -1.26 -5.04 105.19 110.36 3hck n GLY 28 Ca 0.57 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.17 3hck n GLY 28 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hck s SER 29 N -0.61 7.29 0.22 1.61 0.01 0.30 -2.61 113.70 119.92 3hck s SER 29 Ca 0.00 1.79 0.12 0.00 1.31 0.00 0.00 55.95 59.17 3hck s SER 29 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 3hck s SER 29 CO 0.00 -0.30 -0.22 0.72 0.41 0.00 0.00 173.24 173.84 3hck s PHE 30 N 0.89 2.30 0.01 2.43 -0.71 -1.07 -2.23 117.98 119.60 3hck s PHE 30 Ca 0.53 -0.35 -0.17 0.00 -1.04 0.00 0.00 56.93 55.90 3hck s PHE 30 Cb -0.24 -1.09 0.03 0.00 -1.21 0.00 0.00 43.02 40.51 3hck s PHE 30 CO 0.29 0.58 0.38 0.00 -1.34 0.00 0.00 175.22 175.13 3hck s MET 31 N -2.97 0.81 0.06 1.99 0.23 0.69 -1.16 119.30 118.94 3hck s MET 31 Ca 0.24 -0.25 0.08 0.00 -1.03 0.00 0.00 55.69 54.73 3hck s MET 31 Cb -0.07 0.36 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 3hck s MET 31 CO 0.12 -0.25 -0.22 0.42 -2.03 0.00 0.00 175.02 173.06 3hck s ILE 32 N -1.89 1.76 -0.08 3.16 1.01 -0.86 -0.34 121.20 123.97 3hck s ILE 32 Ca -0.09 -1.33 -0.16 0.00 0.00 0.00 0.00 60.65 59.07 3hck s ILE 32 Cb -0.03 -1.55 0.03 0.00 0.01 0.00 0.00 42.46 40.93 3hck s ILE 32 CO 0.01 0.16 0.38 0.00 0.00 0.00 0.00 174.94 175.50 3hck s ARG 33 N -1.40 0.62 0.46 2.79 1.70 -0.81 -1.89 118.95 120.43 3hck s ARG 33 Ca 0.08 0.17 -0.04 0.00 -0.47 0.00 0.00 55.73 55.47 3hck s ARG 33 Cb -0.09 0.29 -0.03 0.00 -0.57 0.00 0.00 34.95 34.54 3hck s ARG 33 CO 0.03 -0.14 0.74 0.34 -1.08 0.00 0.00 175.30 175.19 3hck s ASP 34 N -0.66 6.25 0.81 -2.89 2.15 -1.26 -0.44 116.67 120.63 3hck s ASP 34 Ca -0.08 0.83 -0.11 0.00 0.43 0.00 0.00 52.55 53.63 3hck s ASP 34 Cb -0.04 -2.19 0.08 0.00 -0.30 0.00 0.00 42.92 40.47 3hck s ASP 34 CO 0.03 -0.54 1.09 -0.55 -0.17 0.00 0.00 175.17 175.03 3hck s SER 35 N -4.10 4.22 -0.15 -0.34 0.15 -0.01 -4.81 113.70 108.66 3hck s SER 35 Ca 0.46 1.66 0.00 0.00 0.70 0.00 0.00 55.95 58.78 3hck s SER 35 Cb -0.10 -2.37 -0.09 0.00 -1.71 0.00 0.00 66.02 61.75 3hck s SER 35 CO 0.43 -2.19 -0.13 -0.62 1.20 0.00 0.00 173.24 171.93 3hck n GLU 36 N -3.61 0.36 -0.03 5.44 1.02 -1.26 -4.64 120.64 117.92 3hck n GLU 36 Ca 0.08 0.09 -0.02 0.00 -0.02 0.00 0.00 57.16 57.29 3hck n GLU 36 Cb 0.54 -1.27 -0.01 0.00 -0.02 0.00 0.00 31.44 30.68 3hck n GLU 36 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3hck n THR 37 N -2.99 0.65 -1.73 2.62 -2.24 -1.26 -4.53 114.28 104.80 3hck n THR 37 Ca -0.26 0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 61.48 3hck n THR 37 Cb 0.77 -1.91 -0.01 0.00 -2.10 0.00 0.00 70.33 67.08 3hck n THR 37 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hck n THR 38 N -3.34 4.00 -1.15 4.28 -1.04 -1.26 -4.97 114.28 110.81 3hck n THR 38 Ca -0.03 -3.23 -0.36 0.00 -2.04 0.00 0.00 64.05 58.39 3hck n THR 38 Cb 0.12 -2.52 0.06 0.00 -1.82 0.00 0.00 70.33 66.17 3hck n THR 38 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3hck n LYS 39 N 4.65 0.12 0.00 -2.82 2.85 -1.26 -2.56 118.16 119.14 3hck n LYS 39 Ca 0.58 0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.91 3hck n LYS 39 Cb 0.33 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 3hck n LYS 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3hck n GLY 40 N 2.05 3.34 3.72 2.58 0.00 -1.26 -5.03 105.19 110.60 3hck n GLY 40 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 3hck n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hck s SER 41 N -1.03 5.40 0.26 1.61 0.01 -1.06 -4.79 113.70 114.10 3hck s SER 41 Ca 0.00 0.11 0.10 0.00 1.31 0.00 0.00 55.95 57.47 3hck s SER 41 Cb 0.00 -1.51 -0.04 0.00 0.21 0.00 0.00 66.02 64.68 3hck s SER 41 CO 0.00 0.31 -0.05 -0.31 0.41 0.00 0.00 173.24 173.60 3hck s TYR 42 N -1.06 2.61 -0.04 2.43 1.51 -0.92 -0.83 117.35 121.05 3hck s TYR 42 Ca 0.19 -0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 55.99 3hck s TYR 42 Cb -0.12 -1.17 0.03 0.00 -0.11 0.00 0.00 41.96 40.60 3hck s TYR 42 CO 0.09 0.63 0.06 -1.12 -1.11 0.00 0.00 175.55 174.10 3hck s SER 43 N -3.55 0.99 0.19 2.29 0.01 0.41 -0.17 113.70 113.88 3hck s SER 43 Ca 0.30 0.09 -0.08 0.00 1.31 0.00 0.00 55.95 57.58 3hck s SER 43 Cb -0.06 -0.10 -0.07 0.00 0.21 0.00 0.00 66.02 66.00 3hck s SER 43 CO 0.18 -0.24 0.48 -0.22 0.41 0.00 0.00 173.24 173.86 3hck s LEU 44 N 2.06 4.22 -0.04 2.44 2.96 0.20 -1.92 118.68 128.60 3hck s LEU 44 Ca 0.03 0.80 -0.00 0.00 -0.22 0.00 0.00 54.13 54.74 3hck s LEU 44 Cb -0.12 -3.51 0.03 0.00 0.50 0.00 0.00 46.19 43.09 3hck s LEU 44 CO -0.03 -0.01 0.02 -0.44 -1.32 0.00 0.00 176.35 174.56 3hck s SER 45 N -2.34 0.66 0.04 3.68 0.01 0.54 0.37 113.70 116.66 3hck s SER 45 Ca 0.44 -0.00 0.04 0.00 1.31 0.00 0.00 55.95 57.74 3hck s SER 45 Cb -0.12 -0.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.88 3hck s SER 45 CO 0.22 -0.15 -0.11 -0.69 0.41 0.00 0.00 173.24 172.92 3hck s VAL 46 N 1.38 0.84 0.22 3.43 1.01 0.44 -0.23 120.40 127.51 3hck s VAL 46 Ca -0.05 -0.96 -0.30 0.00 0.00 0.00 0.00 61.98 60.67 3hck s VAL 46 Cb -0.13 -0.81 -0.08 0.00 0.00 0.00 0.00 36.38 35.36 3hck s VAL 46 CO -0.03 -0.13 1.04 -0.60 0.00 0.00 0.00 175.10 175.39 3hck s ARG 47 N -1.22 4.69 0.11 2.72 6.06 -0.94 0.10 118.95 130.47 3hck s ARG 47 Ca -0.02 1.66 -0.09 0.00 -2.50 0.00 0.00 55.73 54.78 3hck s ARG 47 Cb -0.08 -3.26 -0.00 0.00 0.06 0.00 0.00 34.95 31.67 3hck s ARG 47 CO 0.01 0.26 0.22 0.34 -2.50 0.00 0.00 175.30 173.63 3hck s ASP 48 N -0.66 0.09 0.10 -2.12 2.15 -0.28 -4.12 116.67 111.84 3hck s ASP 48 Ca 0.45 -0.72 0.02 0.00 0.43 0.00 0.00 52.55 52.74 3hck s ASP 48 Cb -0.29 0.37 -0.04 0.00 -0.30 0.00 0.00 42.92 42.66 3hck s ASP 48 CO 0.36 -0.78 -0.08 -0.47 -0.17 0.00 0.00 175.17 174.03 3hck s TYR 49 N -3.89 0.96 0.01 -5.34 6.14 -1.26 0.33 117.35 114.30 3hck s TYR 49 Ca 0.09 -0.83 0.04 0.00 0.64 0.00 0.00 57.07 57.01 3hck s TYR 49 Cb 0.04 -0.54 -0.01 0.00 0.42 0.00 0.00 41.96 41.87 3hck s TYR 49 CO -0.08 -0.09 -0.11 -0.51 0.64 0.00 0.00 175.55 175.40 3hck s ASP 50 N -2.88 1.32 0.00 4.32 1.01 0.40 -4.92 116.67 115.92 3hck s ASP 50 Ca 0.10 -0.32 0.23 0.00 0.71 0.00 0.00 52.55 53.27 3hck s ASP 50 Cb 0.03 -0.10 1.16 0.00 1.01 0.00 0.00 42.92 45.01 3hck s ASP 50 CO -0.03 0.06 1.74 -0.81 0.21 0.00 0.00 175.17 176.34 3hck n PRO 51 N 2.35 0.35 -0.06 8.23 -0.04 -1.26 -0.97 135.00 143.59 3hck n PRO 51 Ca -0.16 0.07 -0.09 0.00 -0.04 0.00 0.00 63.50 63.28 3hck n PRO 51 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 3hck n PRO 51 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hck n ARG 52 N -1.27 0.40 -0.04 0.54 1.74 -1.26 -4.84 116.66 111.92 3hck n ARG 52 Ca 0.11 0.16 -0.00 0.00 -0.77 0.00 0.00 57.85 57.35 3hck n ARG 52 Cb 0.17 -1.20 -0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3hck n ARG 52 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3hck h GLN 53 N -0.74 0.00 0.00 5.56 4.20 -1.98 -3.51 115.11 118.64 3hck h GLN 53 Ca -0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 3hck h GLN 53 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 3hck h GLN 53 CO -0.05 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.52 3hck n GLY 54 N 1.80 0.54 3.72 3.46 0.00 -0.14 -4.94 105.19 109.63 3hck n GLY 54 Ca -0.00 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3hck n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hck s ASP 55 N -4.00 7.20 0.26 1.61 1.01 -1.26 0.15 116.67 121.64 3hck s ASP 55 Ca 0.00 2.00 -0.08 0.00 0.71 0.00 0.00 52.55 55.18 3hck s ASP 55 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3hck s ASP 55 CO 0.00 -0.33 0.41 0.42 0.21 0.00 0.00 175.17 175.88 3hck s THR 56 N 0.45 0.00 -0.04 -1.27 -4.23 0.15 -4.89 115.64 105.81 3hck s THR 56 Ca 0.53 -1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 59.46 3hck s THR 56 Cb -0.28 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.22 3hck s THR 56 CO 0.32 0.00 0.04 -0.69 -0.54 0.00 0.00 174.62 173.75 3hck s VAL 57 N -3.82 0.02 0.14 2.29 1.01 -1.26 -1.13 120.40 117.66 3hck s VAL 57 Ca 0.28 0.31 -0.15 0.00 0.00 0.00 0.00 61.98 62.42 3hck s VAL 57 Cb 0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 36.38 36.09 3hck s VAL 57 CO 0.12 0.19 0.55 -0.54 0.00 0.00 0.00 175.10 175.42 3hck s LYS 58 N 1.92 4.01 -0.15 2.72 -0.14 0.11 -4.92 119.74 123.30 3hck s LYS 58 Ca 0.02 0.53 -0.02 0.00 -1.36 0.00 0.00 55.97 55.14 3hck s LYS 58 Cb -0.12 -2.97 0.04 0.00 -1.68 0.00 0.00 37.83 33.10 3hck s LYS 58 CO -0.03 0.50 0.00 -1.01 -0.76 0.00 0.00 175.35 174.05 3hck s HIS 59 N -1.42 1.06 0.08 3.18 3.76 -1.26 -0.42 115.29 120.28 3hck s HIS 59 Ca 0.37 -0.68 0.01 0.00 -0.15 0.00 0.00 55.06 54.61 3hck s HIS 59 Cb -0.16 -1.02 -0.04 0.00 1.11 0.00 0.00 32.58 32.48 3hck s HIS 59 CO 0.19 -0.52 0.19 0.71 -0.85 0.00 0.00 174.74 174.46 3hck s TYR 60 N 1.84 3.42 -0.22 1.40 2.02 0.16 -4.92 117.35 121.06 3hck s TYR 60 Ca 0.01 0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 56.76 3hck s TYR 60 Cb -0.15 -1.70 -0.05 0.00 -0.40 0.00 0.00 41.96 39.66 3hck s TYR 60 CO -0.07 0.56 0.26 0.15 -1.57 0.00 0.00 175.55 174.88 3hck s LYS 61 N -2.63 4.12 -0.48 -0.62 -0.14 -1.26 0.59 119.74 119.33 3hck s LYS 61 Ca 0.33 -0.06 -0.14 0.00 -1.36 0.00 0.00 55.97 54.75 3hck s LYS 61 Cb -0.12 -3.53 0.09 0.00 -1.68 0.00 0.00 37.83 32.59 3hck s LYS 61 CO 0.27 0.03 0.40 0.42 -0.76 0.00 0.00 175.35 175.70 3hck s ILE 62 N 1.13 5.00 0.45 2.17 1.01 0.76 -4.64 121.20 127.07 3hck s ILE 62 Ca 0.13 -1.28 -0.02 0.00 0.00 0.00 0.00 60.65 59.49 3hck s ILE 62 Cb -0.14 -4.07 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 3hck s ILE 62 CO 0.06 -0.65 0.70 -0.13 0.00 0.00 0.00 174.94 174.91 3hck s ARG 63 N 1.58 3.26 0.09 2.79 1.81 -0.96 -2.16 118.95 125.35 3hck s ARG 63 Ca 0.04 -0.23 0.09 0.00 -1.72 0.00 0.00 55.73 53.90 3hck s ARG 63 Cb -0.26 -2.51 -0.04 0.00 -0.45 0.00 0.00 34.95 31.70 3hck s ARG 63 CO 0.05 -0.21 -0.22 0.95 -0.68 0.00 0.00 175.30 175.19 3hck s THR 64 N -2.59 2.57 0.42 0.02 -4.23 -1.26 -0.94 115.64 109.63 3hck s THR 64 Ca 0.47 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 3hck s THR 64 Cb -0.10 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.61 3hck s THR 64 CO 0.40 0.20 0.64 -0.76 -0.54 0.00 0.00 174.62 174.55 3hck s LEU 65 N -1.81 3.76 0.04 4.79 1.43 -0.99 -4.97 118.68 120.93 3hck s LEU 65 Ca 0.15 0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 53.36 3hck s LEU 65 Cb -0.10 -3.23 -0.17 0.00 0.03 0.00 0.00 46.19 42.71 3hck s LEU 65 CO 0.07 -0.57 1.53 0.44 0.23 0.00 0.00 176.35 178.04 3hck h ASP 66 N 0.51 -0.02 -2.10 2.29 5.19 -2.01 -3.35 116.42 116.93 3hck h ASP 66 Ca -0.47 -0.21 -0.57 0.00 -0.62 0.00 0.00 57.03 55.15 3hck h ASP 66 Cb 1.24 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.35 3hck h ASP 66 CO 0.59 0.20 -0.87 0.59 -3.12 0.00 0.00 179.24 176.63 3hck n ASN 67 N -5.00 2.01 0.00 6.45 3.02 -1.26 -4.97 115.26 115.51 3hck n ASN 67 Ca -0.08 -3.10 0.00 0.00 -0.03 0.00 0.00 54.58 51.38 3hck n ASN 67 Cb 0.13 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 3hck n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hck n GLY 68 N 0.98 0.79 0.00 7.41 0.00 -1.26 -5.16 105.19 107.95 3hck n GLY 68 Ca 0.26 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.61 3hck n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hck n GLY 69 N 0.00 0.09 2.83 -0.02 0.00 -1.26 -4.69 105.19 102.13 3hck n GLY 69 Ca 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 46.02 46.36 3hck n GLY 69 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hck s PHE 70 N 1.56 0.06 0.04 1.61 0.40 0.32 -2.36 117.98 119.61 3hck s PHE 70 Ca 0.00 0.05 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 3hck s PHE 70 Cb 0.00 -0.15 -0.02 0.00 0.51 0.00 0.00 43.02 43.36 3hck s PHE 70 CO 0.00 -0.05 -0.08 1.52 0.70 0.00 0.00 175.22 177.31 3hck s TYR 71 N 0.54 0.69 -0.12 0.36 1.13 -0.11 -2.10 117.35 117.74 3hck s TYR 71 Ca -0.05 -0.47 -0.02 0.00 -1.41 0.00 0.00 57.07 55.13 3hck s TYR 71 Cb -0.07 -0.41 -0.07 0.00 -1.10 0.00 0.00 41.96 40.31 3hck s TYR 71 CO -0.01 -0.07 -0.13 -0.89 -2.51 0.00 0.00 175.55 171.94 3hck n ILE 72 N 1.57 0.68 -4.64 -3.49 5.41 -1.26 -2.26 119.36 115.36 3hck n ILE 72 Ca -0.22 -0.22 -0.32 0.00 1.00 0.00 0.00 62.75 62.99 3hck n ILE 72 Cb 0.55 -1.25 -0.12 0.00 -0.71 0.00 0.00 39.64 38.11 3hck n ILE 72 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3hck s SER 73 N -5.58 4.25 -0.81 4.38 0.15 -1.26 -4.96 113.70 109.86 3hck s SER 73 Ca -0.17 -0.22 -0.07 0.00 0.70 0.00 0.00 55.95 56.20 3hck s SER 73 Cb 0.05 -0.90 -0.11 0.00 -1.71 0.00 0.00 66.02 63.35 3hck s SER 73 CO 0.25 0.30 2.61 -0.81 1.20 0.00 0.00 173.24 176.78 3hck n PRO 74 N 1.81 2.36 0.14 5.44 -0.04 -1.26 -3.52 135.00 139.92 3hck n PRO 74 Ca -0.16 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 3hck n PRO 74 Cb 0.52 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 3hck n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hck n ARG 75 N 3.49 0.00 -4.13 0.54 5.12 -1.26 -5.10 116.66 115.33 3hck n ARG 75 Ca 0.50 0.00 -0.21 0.00 -1.93 0.00 0.00 57.85 56.21 3hck n ARG 75 Cb 0.35 -0.05 -0.17 0.00 -1.16 0.00 0.00 32.46 31.43 3hck n ARG 75 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3hck s SER 76 N -5.10 1.18 0.41 0.55 0.01 -1.23 -5.15 113.70 104.37 3hck s SER 76 Ca 0.00 -0.15 0.08 0.00 1.31 0.00 0.00 55.95 57.19 3hck s SER 76 Cb 0.00 -0.50 -0.01 0.00 0.21 0.00 0.00 66.02 65.72 3hck s SER 76 CO 0.00 -0.07 0.44 0.42 0.41 0.00 0.00 173.24 174.44 3hck s THR 77 N 1.09 2.85 -0.03 1.44 -4.23 -1.26 -4.64 115.64 110.86 3hck s THR 77 Ca -0.08 -1.22 -0.00 0.00 -1.18 0.00 0.00 61.69 59.20 3hck s THR 77 Cb -0.14 -3.02 0.03 0.00 1.34 0.00 0.00 72.50 70.71 3hck s THR 77 CO -0.01 -0.01 0.03 -0.36 -0.54 0.00 0.00 174.62 173.73 3hck s PHE 78 N -2.42 0.10 0.42 3.99 0.40 -0.89 -5.01 117.98 114.56 3hck s PHE 78 Ca 0.50 0.12 0.20 0.00 -0.60 0.00 0.00 56.93 57.15 3hck s PHE 78 Cb -0.06 -0.32 1.14 0.00 0.51 0.00 0.00 43.02 44.29 3hck s PHE 78 CO 0.30 -0.12 2.00 0.77 0.70 0.00 0.00 175.22 178.86 3hck h SER 79 N 7.51 0.00 -3.52 1.36 0.02 -1.84 0.92 113.55 118.01 3hck h SER 79 Ca -0.39 0.00 -0.48 0.00 -0.84 0.00 0.00 61.79 60.08 3hck h SER 79 Cb 1.12 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.49 3hck h SER 79 CO 0.42 0.19 -0.76 0.42 -1.14 0.00 0.00 176.83 175.95 3hck s THR 80 N -4.38 1.72 -0.27 -2.27 -4.23 -1.26 -4.50 115.64 100.45 3hck s THR 80 Ca -0.03 -1.98 0.19 0.00 -1.18 0.00 0.00 61.69 58.68 3hck s THR 80 Cb 0.14 -1.86 0.16 0.00 1.34 0.00 0.00 72.50 72.29 3hck s THR 80 CO 0.65 -0.42 1.46 -0.07 -0.54 0.00 0.00 174.62 175.71 3hck h LEU 81 N 3.07 0.00 -0.89 4.79 3.38 -1.94 -3.01 115.31 120.72 3hck h LEU 81 Ca -0.41 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.46 3hck h LEU 81 Cb 1.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 3hck h LEU 81 CO 0.54 0.28 -0.50 -0.61 0.09 0.00 0.00 178.44 178.25 3hck h GLN 82 N 0.00 0.00 0.00 1.13 5.75 -1.97 -1.31 115.11 118.70 3hck h GLN 82 Ca -0.01 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.41 3hck h GLN 82 Cb 1.22 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.76 3hck h GLN 82 CO 0.04 0.50 -0.72 0.93 -2.65 0.00 0.00 178.83 176.92 3hck h GLU 83 N 0.00 0.00 0.00 1.69 4.39 -1.96 -2.59 114.58 116.11 3hck h GLU 83 Ca -0.01 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.49 3hck h GLU 83 Cb 0.97 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.59 3hck h GLU 83 CO 0.07 0.27 -1.00 1.25 -1.16 0.00 0.00 179.01 178.44 3hck h LEU 84 N 0.00 0.00 0.01 1.33 6.46 -1.35 -2.76 115.31 118.99 3hck h LEU 84 Ca -0.04 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.50 3hck h LEU 84 Cb 1.30 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.20 3hck h LEU 84 CO 0.04 0.96 -1.03 0.58 -0.62 0.00 0.00 178.44 178.36 3hck h VAL 85 N 0.00 1.68 -0.39 1.05 2.07 -1.29 -2.56 116.25 116.81 3hck h VAL 85 Ca -0.03 -3.39 -0.14 0.00 0.82 0.00 0.00 66.70 63.97 3hck h VAL 85 Cb 1.75 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 34.36 3hck h VAL 85 CO 0.12 0.96 -0.31 0.44 0.02 0.00 0.00 177.57 178.81 3hck h ASP 86 N 0.00 0.91 0.30 0.57 5.19 -1.47 -1.05 116.42 120.88 3hck h ASP 86 Ca -0.02 -0.38 -0.13 0.00 -0.62 0.00 0.00 57.03 55.88 3hck h ASP 86 Cb 1.79 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 41.03 3hck h ASP 86 CO 0.13 1.14 -0.54 -0.74 -3.12 0.00 0.00 179.24 176.12 3hck h HIS 87 N 0.73 0.32 0.00 4.55 2.76 -1.51 -2.15 115.15 119.84 3hck h HIS 87 Ca 0.08 -0.11 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 3hck h HIS 87 Cb 0.87 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.76 3hck h HIS 87 CO 0.05 0.74 -0.19 1.88 -1.30 0.00 0.00 177.93 179.11 3hck h TYR 88 N 0.20 0.00 0.00 5.26 -1.99 -1.17 -2.40 116.97 116.87 3hck h TYR 88 Ca 0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 3hck h TYR 88 Cb 1.01 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.73 3hck h TYR 88 CO 0.02 0.19 -0.78 0.87 -0.00 0.00 0.00 178.16 178.46 3hck h LYS 89 N 0.00 0.00 0.00 4.88 1.57 -0.83 -0.75 116.57 121.44 3hck h LYS 89 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 3hck h LYS 89 Cb 0.82 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 3hck h LYS 89 CO 0.02 0.34 -0.67 0.87 -0.57 0.00 0.00 179.45 179.45 3hck h LYS 90 N 0.00 0.00 0.00 3.15 1.57 -1.09 -3.43 116.57 116.77 3hck h LYS 90 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3hck h LYS 90 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.68 3hck h LYS 90 CO 0.05 0.67 0.00 0.41 -0.57 0.00 0.00 179.45 180.01 3hck n GLY 91 N 1.19 1.13 0.09 3.86 0.00 -0.93 -5.03 105.19 105.50 3hck n GLY 91 Ca 0.01 -0.89 -0.17 0.00 0.00 0.00 0.00 46.02 44.97 3hck n GLY 91 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3hck h ASN 92 N 0.00 0.22 -7.04 1.61 -1.07 -1.83 -3.34 115.58 104.13 3hck h ASN 92 Ca 0.00 -0.95 -0.61 0.00 0.07 0.00 0.00 56.30 54.81 3hck h ASN 92 Cb 0.00 -0.07 -0.16 0.00 -2.07 0.00 0.00 38.32 36.02 3hck h ASN 92 CO 0.00 1.16 -0.98 -0.67 0.07 0.00 0.00 177.43 177.01 3hck n ASP 93 N -4.40 -0.23 0.00 6.14 2.03 -1.26 -2.55 116.55 116.28 3hck n ASP 93 Ca -0.12 -1.28 0.00 0.00 0.52 0.00 0.00 54.79 53.92 3hck n ASP 93 Cb 0.62 -1.64 0.00 0.00 -0.72 0.00 0.00 41.12 39.38 3hck n ASP 93 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hck n GLY 94 N -2.46 4.01 3.31 0.27 0.00 -1.26 -5.12 105.19 103.94 3hck n GLY 94 Ca -0.28 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.74 3hck n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hck s LEU 95 N 0.00 -1.06 -0.02 0.99 1.43 -1.06 -4.96 118.68 114.01 3hck s LEU 95 Ca 0.00 0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 53.84 3hck s LEU 95 Cb 0.00 -2.25 -0.30 0.00 0.03 0.00 0.00 46.19 43.67 3hck s LEU 95 CO 0.00 -5.34 0.77 0.00 0.23 0.00 0.00 176.35 172.01 3hck s GLN 97 N -2.60 0.29 1.06 0.00 -0.21 -1.26 -5.05 119.66 111.90 3hck s GLN 97 Ca -0.13 0.43 -0.12 0.00 0.02 0.00 0.00 55.36 55.57 3hck s GLN 97 Cb 0.06 0.08 0.22 0.00 1.00 0.00 0.00 33.01 34.37 3hck s GLN 97 CO 0.86 -0.07 1.05 0.36 -2.12 0.00 0.00 175.29 175.37 3hck n LYS 98 N 3.29 -1.55 -3.23 2.91 2.85 -1.26 -4.77 118.16 116.39 3hck n LYS 98 Ca -0.16 -0.41 -0.35 0.00 -1.05 0.00 0.00 58.31 56.35 3hck n LYS 98 Cb 0.57 -2.25 -0.06 0.00 -0.65 0.00 0.00 35.03 32.64 3hck n LYS 98 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3hck s LEU 99 N -6.79 4.26 0.00 -5.58 1.43 -0.29 -4.91 118.68 106.81 3hck s LEU 99 Ca 0.68 1.22 0.00 0.00 -1.03 0.00 0.00 54.13 54.99 3hck s LEU 99 Cb -0.24 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.39 3hck s LEU 99 CO 0.62 -0.01 0.00 -1.54 0.23 0.00 0.00 176.35 175.66 3hck n SER 100 N 0.42 0.00 -4.15 2.29 3.41 -1.07 -4.56 113.62 109.96 3hck n SER 100 Ca -0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.43 3hck n SER 100 Cb 0.52 -0.06 -0.12 0.00 -0.26 0.00 0.00 64.21 64.29 3hck n SER 100 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3hck s VAL 101 N -0.37 0.98 0.66 -3.33 -7.23 -1.25 -5.05 120.40 104.81 3hck s VAL 101 Ca 0.00 -1.31 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 3hck s VAL 101 Cb 0.00 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.91 3hck s VAL 101 CO 0.00 -0.30 1.06 -2.16 -0.31 0.00 0.00 175.10 173.38 3hck s PRO 102 N -1.86 3.08 0.99 4.82 0.04 -1.26 -2.61 135.00 138.20 3hck s PRO 102 Ca -0.03 1.02 -0.16 0.00 0.04 0.00 0.00 61.00 61.88 3hck s PRO 102 Cb -0.09 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 3hck s PRO 102 CO 0.02 -0.99 -0.05 0.00 0.04 0.00 0.00 177.00 176.02 3hck s MET 104 N -3.15 3.11 0.22 0.00 0.23 -1.26 -4.81 119.30 113.64 3hck s MET 104 Ca 0.52 -0.63 -0.30 0.00 -1.03 0.00 0.00 55.69 54.25 3hck s MET 104 Cb -0.17 -2.83 -0.08 0.00 -1.53 0.00 0.00 34.83 30.21 3hck s MET 104 CO 0.71 0.56 1.10 -1.54 -2.03 0.00 0.00 175.02 173.82 3hck s SER 105 N -2.62 7.26 -0.26 -1.18 1.04 -1.26 -5.03 113.70 111.65 3hck s SER 105 Ca 0.32 2.17 -0.25 0.00 0.48 0.00 0.00 55.95 58.66 3hck s SER 105 Cb -0.12 -2.61 0.08 0.00 0.10 0.00 0.00 66.02 63.47 3hck s SER 105 CO 0.25 -0.20 0.78 -0.55 0.98 0.00 0.00 173.24 174.50 3hck s SER 106 N -0.40 -0.68 0.00 7.02 0.15 -1.26 -5.20 113.70 113.33 3hck s SER 106 Ca 0.48 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.42 3hck s SER 106 Cb -0.31 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 3hck s SER 106 CO 0.37 -0.25 0.00 2.29 1.20 0.00 0.00 173.24 176.85