#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vgl s LYS 6 N 0.00 0.47 0.27 5.56 2.20 -1.26 0.21 119.74 127.19 1vgl s LYS 6 Ca 0.00 -0.60 -0.03 0.00 -0.36 0.00 0.00 55.97 54.99 1vgl s LYS 6 Cb 0.00 -1.79 0.01 0.00 -1.51 0.00 0.00 37.83 34.54 1vgl s LYS 6 CO 0.00 -0.85 0.40 -2.37 -0.36 0.00 0.00 175.35 172.17 1vgl n THR 7 N 5.07 0.00 -2.90 3.43 5.66 -1.07 -4.94 114.28 119.53 1vgl n THR 7 Ca -0.06 -1.29 -0.43 0.00 -3.05 0.00 0.00 64.05 59.23 1vgl n THR 7 Cb 0.44 0.83 -0.05 0.00 -1.55 0.00 0.00 70.33 70.00 1vgl n THR 7 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1vgl s TYR 8 N -3.47 3.04 -0.28 1.09 1.51 -0.86 -2.22 117.35 116.16 1vgl s TYR 8 Ca 0.21 0.47 -0.18 0.00 -1.01 0.00 0.00 57.07 56.56 1vgl s TYR 8 Cb -0.01 -3.62 -0.02 0.00 -0.11 0.00 0.00 41.96 38.20 1vgl s TYR 8 CO 0.15 -0.88 0.51 0.08 -1.11 0.00 0.00 175.55 174.30 1vgl s VAL 9 N 3.34 5.06 -0.44 0.71 1.01 0.02 -1.51 120.40 128.59 1vgl s VAL 9 Ca 0.33 0.79 -0.21 0.00 0.00 0.00 0.00 61.98 62.89 1vgl s VAL 9 Cb -0.12 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.44 1vgl s VAL 9 CO 0.20 0.04 0.67 -0.22 0.00 0.00 0.00 175.10 175.80 1vgl s LEU 10 N 2.32 4.44 -0.26 3.92 2.96 0.08 -1.65 118.68 130.49 1vgl s LEU 10 Ca 0.21 -0.28 -0.18 0.00 -0.22 0.00 0.00 54.13 53.65 1vgl s LEU 10 Cb -0.16 -2.78 -0.03 0.00 0.50 0.00 0.00 46.19 43.73 1vgl s LEU 10 CO 0.10 -0.81 0.52 -0.54 -1.32 0.00 0.00 176.35 174.30 1vgl s LYS 11 N 2.92 4.08 -0.23 1.98 1.02 0.20 -1.27 119.74 128.44 1vgl s LYS 11 Ca 0.24 0.34 -0.03 0.00 0.02 0.00 0.00 55.97 56.55 1vgl s LYS 11 Cb -0.14 -3.65 0.00 0.00 -0.52 0.00 0.00 37.83 33.53 1vgl s LYS 11 CO 0.20 -0.34 -0.06 -0.51 -0.92 0.00 0.00 175.35 173.72 1vgl s LEU 12 N 2.28 2.93 -0.30 3.17 1.43 0.41 -1.60 118.68 126.99 1vgl s LEU 12 Ca 0.22 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.64 1vgl s LEU 12 Cb -0.16 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1vgl s LEU 12 CO 0.09 -0.05 0.34 -0.31 0.23 0.00 0.00 176.35 176.65 1vgl s TYR 13 N 1.43 3.22 0.16 0.29 1.51 -0.55 -0.36 117.35 123.06 1vgl s TYR 13 Ca 0.04 0.17 0.11 0.00 -1.01 0.00 0.00 57.07 56.38 1vgl s TYR 13 Cb -0.15 -2.59 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 1vgl s TYR 13 CO -0.04 -0.31 -0.22 0.14 -1.11 0.00 0.00 175.55 174.01 1vgl s VAL 14 N 2.00 2.54 -1.03 0.71 -7.23 0.18 -0.84 120.40 116.73 1vgl s VAL 14 Ca 0.12 -1.82 -0.06 0.00 -1.81 0.00 0.00 61.98 58.42 1vgl s VAL 14 Cb -0.16 -2.19 0.26 0.00 0.56 0.00 0.00 36.38 34.85 1vgl s VAL 14 CO 0.11 -0.02 1.01 0.00 -0.31 0.00 0.00 175.10 175.88 1vgl n ALA 15 N 0.49 4.12 0.00 1.32 0.00 -0.06 -1.07 120.51 125.32 1vgl n ALA 15 Ca -0.14 -4.65 0.00 0.00 0.00 0.00 0.00 53.44 48.65 1vgl n ALA 15 Cb 0.55 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.86 1vgl n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vgl n GLY 16 N 2.42 -1.78 3.42 0.00 0.00 -1.26 -4.85 105.19 103.15 1vgl n GLY 16 Ca 0.23 -1.77 0.01 0.00 0.00 0.00 0.00 46.02 44.50 1vgl n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vgl s ASN 17 N -4.00 -0.44 0.77 1.61 4.22 -1.26 -4.99 114.94 110.85 1vgl s ASN 17 Ca 0.00 0.63 -0.06 0.00 -2.14 0.00 0.00 52.86 51.29 1vgl s ASN 17 Cb 0.00 1.44 0.12 0.00 1.28 0.00 0.00 41.25 44.09 1vgl s ASN 17 CO 0.00 -0.09 1.07 0.42 -2.04 0.00 0.00 177.10 176.46 1vgl s THR 18 N 2.09 2.17 0.36 0.54 -4.23 -1.26 -4.90 115.64 110.41 1vgl s THR 18 Ca -0.04 -0.37 0.15 0.00 -1.18 0.00 0.00 61.69 60.25 1vgl s THR 18 Cb -0.04 -2.80 0.12 0.00 1.34 0.00 0.00 72.50 71.11 1vgl s THR 18 CO -0.16 0.00 1.85 -0.65 -0.54 0.00 0.00 174.62 175.11 1vgl h PRO 19 N -0.79 0.00 0.00 3.99 0.11 -2.02 -2.04 132.00 131.25 1vgl h PRO 19 Ca -0.41 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1vgl h PRO 19 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1vgl h PRO 19 CO 0.45 0.34 -0.04 -0.91 -0.21 0.00 0.00 178.00 177.63 1vgl h ASN 20 N 0.00 0.00 0.03 -2.05 2.35 -1.99 -2.81 115.58 111.10 1vgl h ASN 20 Ca -0.00 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 1vgl h ASN 20 Cb 0.64 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.03 1vgl h ASN 20 CO 0.04 0.04 -0.81 0.28 -1.65 0.00 0.00 177.43 175.34 1vgl h SER 21 N 0.00 0.66 -0.49 5.81 0.02 -1.73 -2.08 113.55 115.74 1vgl h SER 21 Ca -0.00 -0.78 -0.05 0.00 -0.84 0.00 0.00 61.79 60.12 1vgl h SER 21 Cb 0.92 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.23 1vgl h SER 21 CO 0.01 1.37 0.15 0.58 -1.14 0.00 0.00 176.83 177.79 1vgl h VAL 22 N 0.04 1.22 0.30 2.27 2.07 -1.48 0.85 116.25 121.52 1vgl h VAL 22 Ca -0.11 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1vgl h VAL 22 Cb 1.52 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1vgl h VAL 22 CO 0.16 0.29 -0.14 -0.09 0.02 0.00 0.00 177.57 177.81 1vgl h ARG 23 N 0.80 -0.39 -0.95 1.57 9.65 -1.53 -0.47 114.38 123.07 1vgl h ARG 23 Ca 0.18 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.13 1vgl h ARG 23 Cb 0.27 0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.87 1vgl h ARG 23 CO -0.00 -0.08 0.61 0.00 2.80 0.00 0.00 179.97 183.30 1vgl h ALA 24 N -0.13 1.28 -0.33 2.80 0.00 -1.25 0.46 119.26 122.10 1vgl h ALA 24 Ca -0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1vgl h ALA 24 Cb 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1vgl h ALA 24 CO 0.07 0.44 -0.30 -0.07 0.00 0.00 0.00 179.25 179.39 1vgl h LEU 25 N 1.15 0.72 -0.38 0.00 3.38 -0.79 -0.73 115.31 118.65 1vgl h LEU 25 Ca 0.39 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 1vgl h LEU 25 Cb 0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1vgl h LEU 25 CO -0.15 0.97 -0.18 0.11 0.09 0.00 0.00 178.44 179.28 1vgl h LYS 26 N 0.59 0.79 -0.39 1.13 1.57 -0.43 -1.42 116.57 118.41 1vgl h LYS 26 Ca 0.07 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 58.42 1vgl h LYS 26 Cb 0.80 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1vgl h LYS 26 CO 0.07 0.97 -0.11 1.15 -0.57 0.00 0.00 179.45 180.96 1vgl h THR 27 N 0.59 1.25 -0.43 -0.16 2.02 -0.84 -1.60 112.91 113.75 1vgl h THR 27 Ca 0.08 -1.11 -0.11 0.00 0.77 0.00 0.00 66.41 66.04 1vgl h THR 27 Cb 0.73 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1vgl h THR 27 CO 0.06 0.38 -0.18 0.25 0.37 0.00 0.00 175.52 176.39 1vgl h LEU 28 N 0.63 0.83 -0.90 2.58 5.85 -1.00 -1.23 115.31 122.07 1vgl h LEU 28 Ca 0.11 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.43 1vgl h LEU 28 Cb 0.55 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1vgl h LEU 28 CO 0.03 1.00 -0.48 -1.13 -0.34 0.00 0.00 178.44 177.52 1vgl h ASN 29 N 0.73 0.17 -0.31 1.25 -0.00 -0.91 -2.06 115.58 114.44 1vgl h ASN 29 Ca 0.11 -0.08 -0.09 0.00 -0.00 0.00 0.00 56.30 56.24 1vgl h ASN 29 Cb 0.70 -0.05 -0.01 0.00 -0.00 0.00 0.00 38.32 38.97 1vgl h ASN 29 CO 0.05 0.63 -0.15 0.78 -0.00 0.00 0.00 177.43 178.74 1vgl h ASN 30 N 0.13 0.67 -0.67 1.15 4.21 -0.95 -2.11 115.58 118.00 1vgl h ASN 30 Ca 0.00 -0.41 -0.03 0.00 1.21 0.00 0.00 56.30 57.07 1vgl h ASN 30 Cb 0.90 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.89 1vgl h ASN 30 CO 0.07 0.93 0.30 0.40 -1.29 0.00 0.00 177.43 177.85 1vgl h ILE 31 N 0.41 1.23 0.03 2.81 2.04 -1.11 -0.55 117.51 122.37 1vgl h ILE 31 Ca 0.07 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 1vgl h ILE 31 Cb 0.68 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1vgl h ILE 31 CO 0.05 0.28 -0.01 -0.07 0.00 0.00 0.00 178.15 178.40 1vgl h LEU 32 N 1.00 -0.03 -1.50 1.44 3.38 -1.23 -0.24 115.31 118.12 1vgl h LEU 32 Ca 0.24 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1vgl h LEU 32 Cb 0.15 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1vgl h LEU 32 CO -0.03 0.35 -0.13 -0.33 0.09 0.00 0.00 178.44 178.40 1vgl h GLU 33 N -0.43 0.00 0.07 1.13 3.07 -1.29 0.24 114.58 117.37 1vgl h GLU 33 Ca -0.00 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.57 1vgl h GLU 33 Cb 0.40 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 1vgl h GLU 33 CO 0.01 0.13 -1.54 -0.22 -1.40 0.00 0.00 179.01 175.99 1vgl h LYS 34 N 0.00 0.16 0.00 2.33 3.64 -1.00 -3.33 116.57 118.36 1vgl h LYS 34 Ca -0.00 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 1vgl h LYS 34 Cb 0.55 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1vgl h LYS 34 CO 0.02 1.13 -0.82 0.39 -2.27 0.00 0.00 179.45 177.89 1vgl n GLU 35 N -3.98 1.51 -0.97 1.90 1.02 -0.11 -4.58 120.64 115.42 1vgl n GLU 35 Ca -0.30 -0.01 0.04 0.00 -0.02 0.00 0.00 57.16 56.88 1vgl n GLU 35 Cb 0.86 -1.28 0.08 0.00 -0.02 0.00 0.00 31.44 31.08 1vgl n GLU 35 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1vgl n PHE 36 N -1.42 0.00 -1.64 -0.32 3.01 0.02 -5.03 117.46 112.07 1vgl n PHE 36 Ca 0.03 -0.75 -0.51 0.00 1.01 0.00 0.00 57.45 57.23 1vgl n PHE 36 Cb 0.27 -0.16 -0.06 0.00 -0.01 0.00 0.00 39.48 39.52 1vgl n PHE 36 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1vgl n LYS 37 N -0.20 1.50 0.00 -1.08 4.81 -0.87 -0.42 118.16 121.90 1vgl n LYS 37 Ca 0.10 0.55 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1vgl n LYS 37 Cb 0.91 -2.25 0.00 0.00 0.02 0.00 0.00 35.03 33.71 1vgl n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1vgl n GLY 38 N 3.29 3.01 0.13 3.14 0.00 -1.26 -4.81 105.19 108.70 1vgl n GLY 38 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 1vgl n GLY 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1vgl n VAL 39 N -2.00 1.58 -4.35 1.61 0.31 0.44 -4.50 118.33 111.43 1vgl n VAL 39 Ca 0.00 -0.56 -0.19 0.00 -0.01 0.00 0.00 64.34 63.58 1vgl n VAL 39 Cb 0.00 -1.57 -0.14 0.00 -0.91 0.00 0.00 33.84 31.22 1vgl n VAL 39 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1vgl s TYR 40 N -2.52 0.97 0.01 3.52 4.12 -0.90 -2.03 117.35 120.51 1vgl s TYR 40 Ca -0.32 -0.27 0.03 0.00 0.02 0.00 0.00 57.07 56.53 1vgl s TYR 40 Cb 0.09 -0.60 -0.01 0.00 -1.52 0.00 0.00 41.96 39.92 1vgl s TYR 40 CO 0.64 -0.00 -0.08 0.00 0.02 0.00 0.00 175.55 176.12 1vgl s ALA 41 N -0.58 0.69 -0.09 3.71 0.00 -0.57 -4.70 121.76 120.23 1vgl s ALA 41 Ca 0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.46 1vgl s ALA 41 Cb -0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 1vgl s ALA 41 CO 0.00 0.13 0.14 -1.17 0.00 0.00 0.00 175.76 174.86 1vgl s LEU 42 N -0.54 4.32 -0.10 0.00 2.96 -1.26 -0.74 118.68 123.32 1vgl s LEU 42 Ca 0.01 0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 54.29 1vgl s LEU 42 Cb -0.05 -2.18 0.05 0.00 0.50 0.00 0.00 46.19 44.51 1vgl s LEU 42 CO 0.00 0.37 0.09 -0.75 -1.32 0.00 0.00 176.35 174.74 1vgl s LYS 43 N -1.25 -0.00 -0.25 1.98 2.47 -0.40 -0.88 119.74 121.41 1vgl s LYS 43 Ca 0.18 0.23 -0.10 0.00 -1.56 0.00 0.00 55.97 54.72 1vgl s LYS 43 Cb -0.12 -0.97 -0.05 0.00 -1.46 0.00 0.00 37.83 35.23 1vgl s LYS 43 CO 0.08 -0.46 0.15 0.08 0.16 0.00 0.00 175.35 175.35 1vgl s VAL 44 N 2.18 5.17 -0.28 4.02 1.01 -1.25 -0.45 120.40 130.80 1vgl s VAL 44 Ca 0.04 0.12 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1vgl s VAL 44 Cb -0.14 -3.42 0.04 0.00 0.00 0.00 0.00 36.38 32.87 1vgl s VAL 44 CO -0.06 0.33 -0.02 -0.63 0.00 0.00 0.00 175.10 174.72 1vgl s ILE 45 N 1.27 2.94 -0.52 2.22 1.09 0.52 -4.94 121.20 123.78 1vgl s ILE 45 Ca 0.07 -1.27 -0.21 0.00 -1.10 0.00 0.00 60.65 58.14 1vgl s ILE 45 Cb -0.14 -2.63 0.05 0.00 -1.06 0.00 0.00 42.46 38.68 1vgl s ILE 45 CO 0.06 -0.00 0.75 -0.62 -0.10 0.00 0.00 174.94 175.02 1vgl s ASP 46 N 1.27 6.28 0.01 3.58 -1.08 -1.26 -0.64 116.67 124.83 1vgl s ASP 46 Ca -0.04 -0.64 0.20 0.00 -0.52 0.00 0.00 52.55 51.55 1vgl s ASP 46 Cb -0.19 -2.35 0.83 0.00 -1.46 0.00 0.00 42.92 39.76 1vgl s ASP 46 CO -0.02 -1.00 1.62 1.33 0.52 0.00 0.00 175.17 177.62 1vgl n VAL 47 N 5.86 0.67 0.08 1.11 0.24 -0.23 -1.53 118.33 124.53 1vgl n VAL 47 Ca -0.03 0.16 -0.12 0.00 -2.04 0.00 0.00 64.34 62.31 1vgl n VAL 47 Cb 0.46 -0.84 -0.13 0.00 -1.47 0.00 0.00 33.84 31.87 1vgl n VAL 47 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 1vgl h LEU 48 N 0.00 0.25 0.15 1.34 5.85 -1.92 -1.84 115.31 119.15 1vgl h LEU 48 Ca 0.00 -0.28 -0.27 0.00 0.84 0.00 0.00 57.88 58.17 1vgl h LEU 48 Cb 0.34 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.30 1vgl h LEU 48 CO 0.00 1.22 -1.32 0.11 -0.34 0.00 0.00 178.44 178.11 1vgl h LYS 49 N 0.04 0.32 -2.96 1.25 1.57 -1.86 -3.42 116.57 111.51 1vgl h LYS 49 Ca -0.10 -0.55 -0.61 0.00 -1.87 0.00 0.00 60.65 57.52 1vgl h LYS 49 Cb 1.90 0.20 -0.40 0.00 0.08 0.00 0.00 32.23 34.02 1vgl h LYS 49 CO 0.17 1.26 -0.74 -0.80 -0.57 0.00 0.00 179.45 178.77 1vgl s ASN 50 N -7.13 3.59 0.06 0.86 -0.87 -0.58 -5.03 114.94 105.84 1vgl s ASN 50 Ca -0.16 -2.64 -0.29 0.00 -1.57 0.00 0.00 52.86 48.20 1vgl s ASN 50 Cb 0.04 -1.00 -0.15 0.00 -0.02 0.00 0.00 41.25 40.11 1vgl s ASN 50 CO 0.82 -0.26 1.44 -0.65 -2.57 0.00 0.00 177.10 175.88 1vgl h PRO 51 N 6.70 -0.90 -6.13 -0.60 0.11 -1.58 -3.37 132.00 126.23 1vgl h PRO 51 Ca 0.00 0.06 -0.65 0.00 0.11 0.00 0.00 66.00 65.52 1vgl h PRO 51 Cb 0.93 0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1vgl h PRO 51 CO 0.47 -0.60 1.21 0.94 -0.21 0.00 0.00 178.00 179.81 1vgl n GLN 52 N -4.86 1.60 -2.69 1.05 7.27 -1.26 -4.91 117.38 113.58 1vgl n GLN 52 Ca -0.11 0.53 -0.37 0.00 0.07 0.00 0.00 57.00 57.13 1vgl n GLN 52 Cb 0.39 -2.54 -0.06 0.00 2.41 0.00 0.00 30.24 30.45 1vgl n GLN 52 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1vgl s LEU 53 N 5.49 4.24 0.40 1.69 1.43 -1.26 -5.02 118.68 125.65 1vgl s LEU 53 Ca 1.00 1.91 -0.25 0.00 -1.03 0.00 0.00 54.13 55.76 1vgl s LEU 53 Cb -0.78 -4.11 -0.08 0.00 0.03 0.00 0.00 46.19 41.24 1vgl s LEU 53 CO 0.52 -0.25 1.15 0.00 0.23 0.00 0.00 176.35 178.01 1vgl s ALA 54 N -1.67 3.14 0.33 4.21 0.00 -1.26 -4.90 121.76 121.60 1vgl s ALA 54 Ca 0.54 0.93 0.13 0.00 0.00 0.00 0.00 51.96 53.56 1vgl s ALA 54 Cb -0.19 -3.37 1.06 0.00 0.00 0.00 0.00 23.12 20.62 1vgl s ALA 54 CO 0.25 -0.49 1.49 -1.91 0.00 0.00 0.00 175.76 175.09 1vgl n GLU 55 N 0.04 -0.06 0.00 0.00 2.13 -1.26 -0.11 120.64 121.38 1vgl n GLU 55 Ca 0.04 1.35 0.14 0.00 0.66 0.00 0.00 57.16 59.35 1vgl n GLU 55 Cb 0.47 -2.31 0.53 0.00 0.27 0.00 0.00 31.44 30.40 1vgl n GLU 55 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1vgl n GLU 56 N -5.25 0.22 -2.62 5.31 0.00 -1.26 -4.91 120.64 112.13 1vgl n GLU 56 Ca 0.31 -0.06 -0.40 0.00 0.00 0.00 0.00 57.16 57.01 1vgl n GLU 56 Cb 1.03 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.92 1vgl n GLU 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1vgl s ASP 57 N -2.83 7.42 -0.09 -1.84 1.11 0.84 -5.05 116.67 116.23 1vgl s ASP 57 Ca 0.18 2.09 -0.05 0.00 0.18 0.00 0.00 52.55 54.95 1vgl s ASP 57 Cb 0.19 -2.61 0.04 0.00 1.07 0.00 0.00 42.92 41.60 1vgl s ASP 57 CO 0.55 -0.02 0.21 -1.59 1.18 0.00 0.00 175.17 175.51 1vgl s LYS 58 N -1.42 0.19 -0.24 8.23 -2.85 -1.26 -4.88 119.74 117.51 1vgl s LYS 58 Ca 0.44 0.44 -0.08 0.00 -1.00 0.00 0.00 55.97 55.76 1vgl s LYS 58 Cb -0.28 -0.08 -0.04 0.00 -2.06 0.00 0.00 37.83 35.38 1vgl s LYS 58 CO 0.35 -0.13 0.09 0.42 0.10 0.00 0.00 175.35 176.19 1vgl s ILE 59 N 0.96 4.63 0.32 3.79 1.01 -1.26 -4.61 121.20 126.04 1vgl s ILE 59 Ca -0.07 -0.07 0.09 0.00 0.00 0.00 0.00 60.65 60.60 1vgl s ILE 59 Cb -0.08 -3.16 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1vgl s ILE 59 CO -0.06 0.35 0.07 -0.76 0.00 0.00 0.00 174.94 174.53 1vgl s LEU 60 N 1.37 3.17 0.40 2.97 1.43 0.23 -4.88 118.68 123.36 1vgl s LEU 60 Ca 0.06 -0.80 -0.26 0.00 -1.03 0.00 0.00 54.13 52.10 1vgl s LEU 60 Cb -0.15 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.36 1vgl s LEU 60 CO 0.05 -0.20 1.23 0.00 0.23 0.00 0.00 176.35 177.65 1vgl s ALA 61 N -2.42 3.20 0.07 4.21 0.00 -1.26 -1.20 121.76 124.36 1vgl s ALA 61 Ca 0.35 1.09 -0.24 0.00 0.00 0.00 0.00 51.96 53.15 1vgl s ALA 61 Cb -0.03 -3.43 -0.16 0.00 0.00 0.00 0.00 23.12 19.50 1vgl s ALA 61 CO 0.21 -0.66 1.67 1.15 0.00 0.00 0.00 175.76 178.13 1vgl h THR 62 N 2.40 0.98 -0.38 0.00 2.02 -1.93 -3.05 112.91 112.95 1vgl h THR 62 Ca -0.49 -0.13 0.11 0.00 0.77 0.00 0.00 66.41 66.67 1vgl h THR 62 Cb 1.24 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1vgl h THR 62 CO 0.63 0.03 0.32 -0.65 0.37 0.00 0.00 175.52 176.22 1vgl h PRO 63 N -0.14 0.00 0.04 6.66 0.11 -1.98 0.11 132.00 136.79 1vgl h PRO 63 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1vgl h PRO 63 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 1vgl h PRO 63 CO 0.01 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 177.79 1vgl h LEU 65 N -0.07 -0.88 -1.69 0.00 3.38 -1.45 -3.33 115.31 111.27 1vgl h LEU 65 Ca -0.01 0.03 0.49 0.00 0.09 0.00 0.00 57.88 58.49 1vgl h LEU 65 Cb 0.04 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1vgl h LEU 65 CO 0.01 -0.56 1.22 0.00 0.09 0.00 0.00 178.44 179.19 1vgl n ALA 66 N -2.63 1.63 0.29 1.53 0.00 0.33 -1.14 120.51 120.52 1vgl n ALA 66 Ca -0.13 0.56 0.16 0.00 0.00 0.00 0.00 53.44 54.03 1vgl n ALA 66 Cb 0.41 -0.98 0.89 0.00 0.00 0.00 0.00 19.45 19.78 1vgl n ALA 66 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1vgl h LYS 67 N 0.00 0.00 -0.68 0.00 6.56 -1.74 -2.40 116.57 118.31 1vgl h LYS 67 Ca 0.81 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.40 1vgl h LYS 67 Cb 3.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 34.90 1vgl h LYS 67 CO -0.01 0.04 0.00 1.33 -2.06 0.00 0.00 179.45 178.75 1vgl n VAL 68 N -3.63 0.99 -3.38 0.50 0.24 -0.29 -4.97 118.33 107.78 1vgl n VAL 68 Ca -0.02 -1.00 -0.23 0.00 -2.04 0.00 0.00 64.34 61.05 1vgl n VAL 68 Cb 0.14 0.51 -0.01 0.00 -1.47 0.00 0.00 33.84 33.01 1vgl n VAL 68 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1vgl s LEU 69 N -1.01 3.97 0.58 1.34 1.43 -0.91 -5.07 118.68 119.02 1vgl s LEU 69 Ca 0.46 0.29 -0.19 0.00 -1.03 0.00 0.00 54.13 53.66 1vgl s LEU 69 Cb 0.24 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.26 1vgl s LEU 69 CO 0.31 -0.37 1.19 -2.84 0.23 0.00 0.00 176.35 174.88 1vgl s PRO 70 N -4.31 3.07 0.30 1.29 0.02 -1.26 -4.72 135.00 129.39 1vgl s PRO 70 Ca 0.41 1.79 0.06 0.00 0.02 0.00 0.00 61.00 63.28 1vgl s PRO 70 Cb -0.10 -1.96 0.77 0.00 0.02 0.00 0.00 34.50 33.23 1vgl s PRO 70 CO 0.35 -1.12 1.73 -1.35 -0.33 0.00 0.00 177.00 176.29 1vgl h PRO 71 N 0.98 0.56 -0.42 5.54 0.11 -1.97 -0.62 132.00 136.18 1vgl h PRO 71 Ca -0.50 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.44 1vgl h PRO 71 Cb 1.29 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1vgl h PRO 71 CO 0.56 0.37 -0.27 -1.00 -0.21 0.00 0.00 178.00 177.45 1vgl h PRO 72 N 0.57 0.89 -0.30 1.05 0.13 -2.00 -2.37 132.00 129.98 1vgl h PRO 72 Ca 0.58 -0.40 -0.14 0.00 -0.87 0.00 0.00 66.00 65.18 1vgl h PRO 72 Cb 1.04 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 1vgl h PRO 72 CO -0.46 1.04 -0.37 0.28 -0.23 0.00 0.00 178.00 178.27 1vgl h VAL 73 N 0.76 1.29 0.00 1.56 2.07 -1.70 -2.49 116.25 117.74 1vgl h VAL 73 Ca 0.09 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1vgl h VAL 73 Cb 0.82 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1vgl h VAL 73 CO 0.07 0.50 0.00 0.08 0.02 0.00 0.00 177.57 178.24 1vgl h ARG 74 N 0.55 0.00 0.24 1.57 0.11 -1.19 -1.47 114.38 114.19 1vgl h ARG 74 Ca 0.04 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.11 1vgl h ARG 74 Cb 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 1vgl h ARG 74 CO 0.09 0.00 -0.12 -0.09 0.10 0.00 0.00 179.97 179.95 1vgl h ARG 75 N 0.00 -0.32 -0.17 0.08 2.43 -1.04 -2.21 114.38 113.15 1vgl h ARG 75 Ca 0.00 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 1vgl h ARG 75 Cb 0.45 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 1vgl h ARG 75 CO 0.00 0.04 -0.12 0.82 -1.51 0.00 0.00 179.97 179.21 1vgl h ILE 76 N -0.78 1.18 -0.54 1.20 2.04 -1.19 -2.20 117.51 117.22 1vgl h ILE 76 Ca -0.03 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 64.96 1vgl h ILE 76 Cb 0.51 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1vgl h ILE 76 CO 0.06 0.25 0.01 0.40 0.00 0.00 0.00 178.15 178.86 1vgl h ILE 77 N 0.26 1.25 -0.52 -0.67 2.04 -1.23 -1.57 117.51 117.07 1vgl h ILE 77 Ca 0.05 -1.06 -0.03 0.00 1.00 0.00 0.00 64.86 64.83 1vgl h ILE 77 Cb 0.37 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1vgl h ILE 77 CO 0.02 0.38 0.21 1.23 0.00 0.00 0.00 178.15 179.99 1vgl h GLY 78 N 1.00 0.83 1.81 5.37 0.00 -0.77 -0.82 103.07 110.48 1vgl h GLY 78 Ca 0.16 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1vgl h GLY 78 CO 0.02 0.42 -0.35 -0.55 0.00 0.00 0.00 176.54 176.09 1vgl h ASP 79 N 0.69 0.22 -0.43 0.19 3.45 -1.26 0.50 116.42 119.79 1vgl h ASP 79 Ca 0.17 -0.08 -0.11 0.00 0.43 0.00 0.00 57.03 57.44 1vgl h ASP 79 Cb 0.20 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1vgl h ASP 79 CO -0.01 0.56 -0.17 -0.07 -1.57 0.00 0.00 179.24 177.97 1vgl h LEU 80 N 0.19 0.90 0.00 1.55 3.38 -0.86 0.24 115.31 120.70 1vgl h LEU 80 Ca 0.02 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1vgl h LEU 80 Cb 0.71 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1vgl h LEU 80 CO 0.05 1.09 0.00 -1.54 0.09 0.00 0.00 178.44 178.13 1vgl n SER 81 N -4.22 0.00 -0.32 -0.43 3.41 -0.35 -1.38 113.62 110.33 1vgl n SER 81 Ca -0.01 0.29 0.02 0.00 -0.26 0.00 0.00 58.87 58.91 1vgl n SER 81 Cb 0.42 -0.36 0.16 0.00 -0.26 0.00 0.00 64.21 64.18 1vgl n SER 81 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1vgl h ASN 82 N 0.00 0.83 0.00 4.04 2.35 -0.17 -1.79 115.58 120.85 1vgl h ASN 82 Ca 0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1vgl h ASN 82 Cb 0.00 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1vgl h ASN 82 CO 0.00 0.51 -0.03 -0.09 -1.65 0.00 0.00 177.43 176.17 1vgl h ARG 83 N 0.95 0.00 -0.24 0.81 9.65 -1.36 -3.41 114.38 120.78 1vgl h ARG 83 Ca 0.40 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 59.19 1vgl h ARG 83 Cb 0.26 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1vgl h ARG 83 CO -0.20 0.00 -0.23 0.93 2.80 0.00 0.00 179.97 183.26 1vgl h GLU 84 N -0.09 0.45 -2.37 0.20 3.07 -0.72 -3.48 114.58 111.64 1vgl h GLU 84 Ca 0.00 -0.16 -0.27 0.00 -0.50 0.00 0.00 59.36 58.43 1vgl h GLU 84 Cb 0.03 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1vgl h GLU 84 CO 0.00 0.66 -0.37 1.63 -1.40 0.00 0.00 179.01 179.53 1vgl n LYS 85 N -4.14 -1.89 -0.00 2.33 4.76 -0.51 -4.90 118.16 113.80 1vgl n LYS 85 Ca -0.00 0.63 0.11 0.00 -2.87 0.00 0.00 58.31 56.18 1vgl n LYS 85 Cb 0.39 -4.87 -0.16 0.00 -1.84 0.00 0.00 35.03 28.55 1vgl n LYS 85 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1vgl n VAL 86 N -4.03 0.03 -2.68 -0.18 0.24 -0.48 -4.94 118.33 106.29 1vgl n VAL 86 Ca -0.13 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.34 61.25 1vgl n VAL 86 Cb 0.61 -0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.95 1vgl n VAL 86 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1vgl s LEU 87 N -4.54 3.75 -0.02 1.34 2.96 -0.98 -0.88 118.68 120.32 1vgl s LEU 87 Ca -0.07 0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.99 1vgl s LEU 87 Cb 0.14 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 1vgl s LEU 87 CO 0.90 -1.23 0.54 0.40 -1.32 0.00 0.00 176.35 175.65 1vgl h ILE 88 N 6.16 0.00 -1.27 6.68 2.04 -1.34 -3.42 117.51 126.36 1vgl h ILE 88 Ca -0.24 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1vgl h ILE 88 Cb 1.07 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1vgl h ILE 88 CO 1.10 0.00 0.00 0.61 0.00 0.00 0.00 178.15 179.86 1vgl n GLY 89 N 0.53 2.03 2.31 5.37 0.00 -1.21 -4.67 105.19 109.56 1vgl n GLY 89 Ca -0.04 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 45.04 1vgl n GLY 89 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1vgl n LEU 90 N 0.00 0.00 -3.58 0.99 -0.00 -0.34 -1.48 117.00 112.59 1vgl n LEU 90 Ca 0.00 -1.99 -0.14 0.00 -0.00 0.00 0.00 56.01 53.88 1vgl n LEU 90 Cb 0.00 1.69 -0.06 0.00 -0.00 0.00 0.00 43.42 45.05 1vgl n LEU 90 CO 0.00 -0.44 0.58 -0.62 -0.00 0.00 0.00 177.39 176.91 1vgl s ASP 91 N -2.51 -0.56 -0.11 1.45 2.15 -0.63 -0.60 116.67 115.85 1vgl s ASP 91 Ca 0.21 0.81 0.00 0.00 0.43 0.00 0.00 52.55 54.00 1vgl s ASP 91 Cb -0.00 0.73 0.02 0.00 -0.30 0.00 0.00 42.92 43.36 1vgl s ASP 91 CO 0.15 -0.38 -0.10 -0.22 -0.17 0.00 0.00 175.17 174.44 1vgl s LEU 92 N -0.60 1.39 -0.00 -1.34 2.96 -1.26 0.58 118.68 120.42 1vgl s LEU 92 Ca -0.04 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1vgl s LEU 92 Cb -0.02 -0.93 0.00 0.00 0.50 0.00 0.00 46.19 45.74 1vgl s LEU 92 CO 0.03 -0.08 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.22 1vgl s LEU 93 N 1.48 1.95 -0.37 -0.68 1.43 -0.66 -4.95 118.68 116.88 1vgl s LEU 93 Ca 0.02 -0.01 -0.27 0.00 -1.03 0.00 0.00 54.13 52.84 1vgl s LEU 93 Cb -0.13 -0.03 0.02 0.00 0.03 0.00 0.00 46.19 46.08 1vgl s LEU 93 CO -0.07 -0.00 0.99 -0.47 0.23 0.00 0.00 176.35 177.03 1vgl s TYR 94 N 0.05 3.06 0.13 0.29 6.14 -1.26 -0.80 117.35 124.95 1vgl s TYR 94 Ca -0.00 0.87 -0.03 0.00 0.64 0.00 0.00 57.07 58.54 1vgl s TYR 94 Cb -0.01 -3.75 -0.03 0.00 0.42 0.00 0.00 41.96 38.59 1vgl s TYR 94 CO -0.00 -0.87 0.12 -1.83 0.64 0.00 0.00 175.55 173.61 1vgl s GLU 95 N 3.63 0.96 0.04 4.97 -1.05 -0.94 -4.99 118.70 121.32 1vgl s GLU 95 Ca 0.41 -1.33 -0.20 0.00 -0.15 0.00 0.00 54.97 53.70 1vgl s GLU 95 Cb -0.11 0.28 -0.06 0.00 -0.44 0.00 0.00 34.13 33.79 1vgl s GLU 95 CO 0.19 -0.29 0.58 -2.00 0.95 0.00 0.00 175.26 174.70 1vgl s GLU 96 N -4.01 4.26 -0.27 -4.83 2.12 -1.26 -2.60 118.70 112.11 1vgl s GLU 96 Ca 0.20 0.74 0.02 0.00 0.36 0.00 0.00 54.97 56.30 1vgl s GLU 96 Cb 0.06 -3.28 0.07 0.00 0.26 0.00 0.00 34.13 31.24 1vgl s GLU 96 CO -0.00 0.52 -0.06 0.42 -0.54 0.00 0.00 175.26 175.61 1vgl s ILE 97 N -0.72 1.97 0.00 -3.70 1.01 0.55 -4.88 121.20 115.43 1vgl s ILE 97 Ca 0.30 -1.66 0.00 0.00 0.00 0.00 0.00 60.65 59.29 1vgl s ILE 97 Cb -0.19 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.07 1vgl s ILE 97 CO 0.18 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.55 1vgl n GLY 98 N 4.48 -0.02 0.11 6.18 0.00 -1.26 -4.44 105.19 110.24 1vgl n GLY 98 Ca -0.10 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 45.97 1vgl n GLY 98 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1vgl h ASP 99 N 0.00 0.00 -2.87 1.61 5.19 -1.98 -3.48 116.42 114.88 1vgl h ASP 99 Ca 0.00 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.82 1vgl h ASP 99 Cb 0.00 0.00 0.11 0.00 0.18 0.00 0.00 39.33 39.62 1vgl h ASP 99 CO 0.00 0.25 0.31 0.00 -3.12 0.00 0.00 179.24 176.68 1vgl n GLN 100 N -2.79 1.72 -2.53 3.56 6.02 -1.26 -4.95 117.38 117.15 1vgl n GLN 100 Ca -0.04 0.60 -0.42 0.00 -0.01 0.00 0.00 57.00 57.14 1vgl n GLN 100 Cb 0.67 -2.07 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 1vgl n GLN 100 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vgl s ALA 101 N -1.08 3.33 -0.07 -1.58 0.00 -1.26 -5.04 121.76 116.06 1vgl s ALA 101 Ca 0.57 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 53.27 1vgl s ALA 101 Cb -0.64 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.06 1vgl s ALA 101 CO 0.61 -0.31 0.03 -1.21 0.00 0.00 0.00 175.76 174.88 1vgl s GLU 102 N 0.61 3.01 0.00 0.00 0.41 -1.26 -4.08 118.70 117.39 1vgl s GLU 102 Ca 0.54 -0.41 0.00 0.00 -0.41 0.00 0.00 54.97 54.69 1vgl s GLU 102 Cb -0.27 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.25 1vgl s GLU 102 CO 0.30 0.69 0.00 -0.40 -0.49 0.00 0.00 175.26 175.37 1vgl n ASP 103 N 1.90 0.00 -0.18 -0.19 5.68 -1.15 -5.03 116.55 117.58 1vgl n ASP 103 Ca -0.18 -0.13 -0.01 0.00 -0.50 0.00 0.00 54.79 53.97 1vgl n ASP 103 Cb 0.54 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.60 1vgl n ASP 103 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1vgl h ASP 104 N 0.00 -0.10 -1.47 -1.12 5.19 -2.00 -2.99 116.42 113.93 1vgl h ASP 104 Ca 0.00 0.12 -0.69 0.00 -0.62 0.00 0.00 57.03 55.83 1vgl h ASP 104 Cb 0.00 0.18 -0.31 0.00 0.18 0.00 0.00 39.33 39.38 1vgl h ASP 104 CO 0.00 -0.03 0.57 0.18 -3.12 0.00 0.00 179.24 176.84 1vgl n LEU 105 N -5.18 6.95 0.00 1.55 4.77 -1.26 -4.67 117.00 119.17 1vgl n LEU 105 Ca 0.07 -4.70 0.00 0.00 -0.03 0.00 0.00 56.01 51.36 1vgl n LEU 105 Cb 0.30 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1vgl n LEU 105 CO 0.16 1.76 0.00 0.61 -1.33 0.00 0.00 177.39 178.59 1vgl n GLY 106 N -0.68 2.52 0.64 -0.72 0.00 -1.13 -3.91 105.19 101.91 1vgl n GLY 106 Ca 0.54 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1vgl n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36