#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yeb s GLU -4 N 0.00 0.48 -0.02 -2.82 8.01 -1.26 -5.17 118.70 117.92 1yeb s GLU -4 Ca 0.00 1.03 0.01 0.00 0.01 0.00 0.00 54.97 56.02 1yeb s GLU -4 Cb 0.00 0.19 0.02 0.00 -4.31 0.00 0.00 34.13 30.03 1yeb s GLU -4 CO 0.00 -0.18 -0.03 0.12 0.01 0.00 0.00 175.26 175.18 1yeb s PHE -3 N 1.88 0.45 0.19 1.61 5.36 -1.26 -5.10 117.98 121.10 1yeb s PHE -3 Ca -0.08 -0.08 0.10 0.00 -0.96 0.00 0.00 56.93 55.92 1yeb s PHE -3 Cb -0.09 -0.42 -0.04 0.00 -0.34 0.00 0.00 43.02 42.13 1yeb s PHE -3 CO -0.15 -0.10 -0.22 0.21 -1.46 0.00 0.00 175.22 173.50 1yeb s LYS -2 N 0.61 1.43 0.13 10.12 2.20 -1.26 -5.12 119.74 127.86 1yeb s LYS -2 Ca -0.07 -1.49 -0.26 0.00 -0.36 0.00 0.00 55.97 53.79 1yeb s LYS -2 Cb -0.10 -1.64 -0.07 0.00 -1.51 0.00 0.00 37.83 34.50 1yeb s LYS -2 CO -0.01 0.35 0.81 0.00 -0.36 0.00 0.00 175.35 176.14 1yeb s ALA -1 N -1.85 3.40 0.00 3.13 0.00 -1.26 -4.74 121.76 120.43 1yeb s ALA -1 Ca 0.19 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.54 1yeb s ALA -1 Cb -0.07 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.03 1yeb s ALA -1 CO 0.09 0.19 0.00 0.41 0.00 0.00 0.00 175.76 176.45 1yeb n GLY 1 N 1.87 4.45 3.58 0.00 0.00 -1.25 -4.97 105.19 108.88 1yeb n GLY 1 Ca -0.04 -1.60 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 1yeb n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yeb s SER 2 N 0.57 5.53 0.23 1.61 0.15 -1.26 -4.87 113.70 115.66 1yeb s SER 2 Ca 0.00 -0.00 -0.05 0.00 0.70 0.00 0.00 55.95 56.60 1yeb s SER 2 Cb 0.00 -1.97 0.23 0.00 -1.71 0.00 0.00 66.02 62.57 1yeb s SER 2 CO 0.00 0.10 1.74 0.00 1.20 0.00 0.00 173.24 176.28 1yeb h ALA 3 N 7.23 1.02 -0.15 5.45 0.00 -1.89 0.49 119.26 131.42 1yeb h ALA 3 Ca -0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1yeb h ALA 3 Cb 1.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1yeb h ALA 3 CO 0.66 0.62 0.07 0.87 0.00 0.00 0.00 179.25 181.47 1yeb h LYS 4 N 0.91 0.22 -0.73 0.00 1.57 -1.93 -0.94 116.57 115.68 1yeb h LYS 4 Ca 0.18 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1yeb h LYS 4 Cb 0.42 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1yeb h LYS 4 CO 0.01 0.28 0.38 0.87 -0.57 0.00 0.00 179.45 180.43 1yeb h LYS 5 N 0.11 1.02 -0.68 3.15 1.57 -1.83 -2.25 116.57 117.67 1yeb h LYS 5 Ca 0.05 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1yeb h LYS 5 Cb 0.14 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1yeb h LYS 5 CO -0.01 0.78 0.45 0.78 -0.57 0.00 0.00 179.45 180.88 1yeb h GLY 6 N 1.00 0.95 0.90 3.86 0.00 0.19 -1.56 103.07 108.41 1yeb h GLY 6 Ca 0.25 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 1yeb h GLY 6 CO -0.04 0.32 -0.13 0.00 0.00 0.00 0.00 176.54 176.69 1yeb h ALA 7 N 1.59 -0.29 -0.18 3.60 0.00 -0.61 -1.45 119.26 121.93 1yeb h ALA 7 Ca 0.26 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1yeb h ALA 7 Cb -0.04 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1yeb h ALA 7 CO -0.06 -0.67 -0.29 1.79 0.00 0.00 0.00 179.25 180.02 1yeb h THR 8 N -0.31 1.26 -0.68 0.00 1.35 -1.15 -2.15 112.91 111.25 1yeb h THR 8 Ca -0.01 -1.27 -0.07 0.00 -0.55 0.00 0.00 66.41 64.52 1yeb h THR 8 Cb 0.27 1.45 -0.03 0.00 -1.73 0.00 0.00 68.15 68.11 1yeb h THR 8 CO -0.00 0.39 0.16 -0.07 -0.25 0.00 0.00 175.52 175.75 1yeb h LEU 9 N 0.30 1.03 0.39 3.87 3.38 -0.91 -1.06 115.31 122.32 1yeb h LEU 9 Ca 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1yeb h LEU 9 Cb 0.66 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1yeb h LEU 9 CO 0.05 1.00 -0.25 0.15 0.09 0.00 0.00 178.44 179.48 1yeb h PHE 10 N 1.02 -0.67 -0.73 1.13 3.04 -1.08 1.19 116.94 120.83 1yeb h PHE 10 Ca 0.21 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.22 1yeb h PHE 10 Cb 0.37 0.24 -0.05 0.00 2.56 0.00 0.00 35.95 39.08 1yeb h PHE 10 CO 0.03 -0.39 0.48 0.87 -2.02 0.00 0.00 178.31 177.28 1yeb h LYS 11 N -0.62 0.75 0.00 1.11 1.57 -1.24 0.44 116.57 118.57 1yeb h LYS 11 Ca -0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1yeb h LYS 11 Cb 0.52 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1yeb h LYS 11 CO 0.03 0.49 -0.92 0.25 -0.57 0.00 0.00 179.45 178.73 1yeb n THR 12 N -4.48 0.46 0.00 -0.16 -2.24 -0.41 -4.33 114.28 103.11 1yeb n THR 12 Ca 0.11 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1yeb n THR 12 Cb 0.22 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1yeb n THR 12 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1yeb n ARG 13 N -2.39 2.21 -0.04 -0.78 5.12 0.41 -4.94 116.66 116.24 1yeb n ARG 13 Ca 0.01 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.88 1yeb n ARG 13 Cb 0.50 -0.98 -0.03 0.00 -1.16 0.00 0.00 32.46 30.79 1yeb n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1yeb h GLN 15 N -0.00 0.00 -0.99 0.00 4.15 -1.40 0.60 115.11 117.47 1yeb h GLN 15 Ca -0.16 0.00 0.18 0.00 0.77 0.00 0.00 58.65 59.44 1yeb h GLN 15 Cb 1.25 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.84 1yeb h GLN 15 CO -0.03 0.00 0.61 0.37 -1.93 0.00 0.00 178.83 177.86 1yeb h GLN 16 N 0.00 0.73 0.00 1.69 4.15 -1.83 -3.25 115.11 116.60 1yeb h GLN 16 Ca 0.46 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.84 1yeb h GLN 16 Cb 1.89 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 29.41 1yeb h GLN 16 CO -0.00 0.48 -0.27 0.00 -1.93 0.00 0.00 178.83 177.11 1yeb s HIS 18 N -1.38 0.80 0.32 0.00 3.76 0.09 0.10 115.29 118.98 1yeb s HIS 18 Ca 0.01 -0.49 0.08 0.00 -0.15 0.00 0.00 55.06 54.50 1yeb s HIS 18 Cb 0.02 -0.47 -0.04 0.00 1.11 0.00 0.00 32.58 33.20 1yeb s HIS 18 CO 0.10 -0.05 0.20 0.95 -0.85 0.00 0.00 174.74 175.09 1yeb s THR 19 N -1.37 3.48 0.00 1.30 -4.23 -1.26 -3.89 115.64 109.67 1yeb s THR 19 Ca -0.08 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1yeb s THR 19 Cb -0.10 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1yeb s THR 19 CO 0.01 -0.22 0.00 0.00 -0.54 0.00 0.00 174.62 173.87 1yeb n ILE 20 N -1.22 0.00 -1.90 2.99 3.06 -1.26 -2.19 119.36 118.85 1yeb n ILE 20 Ca -0.04 -0.06 -0.34 0.00 -2.50 0.00 0.00 62.75 59.82 1yeb n ILE 20 Cb 0.60 0.57 0.04 0.00 0.54 0.00 0.00 39.64 41.38 1yeb n ILE 20 CO 0.00 0.00 0.00 -1.61 -2.50 0.00 0.00 176.55 172.44 1yeb s GLU 21 N -0.36 2.94 0.00 9.51 2.02 -1.26 -3.14 118.70 128.41 1yeb s GLU 21 Ca 0.00 1.47 -0.30 0.00 0.02 0.00 0.00 54.97 56.17 1yeb s GLU 21 Cb 0.00 -1.96 -0.07 0.00 0.10 0.00 0.00 34.13 32.19 1yeb s GLU 21 CO 0.00 -1.15 1.82 -2.00 0.02 0.00 0.00 175.26 173.95 1yeb s GLU 22 N -3.84 4.16 0.00 1.61 -6.30 -1.26 -1.65 118.70 111.42 1yeb s GLU 22 Ca 0.69 2.42 0.00 0.00 -2.50 0.00 0.00 54.97 55.58 1yeb s GLU 22 Cb -0.22 -4.06 0.00 0.00 0.00 0.00 0.00 34.13 29.85 1yeb s GLU 22 CO 0.37 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 175.16 1yeb n GLY 23 N 4.34 0.40 3.88 -1.50 0.00 -1.26 -5.04 105.19 106.01 1yeb n GLY 23 Ca 0.19 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.85 1yeb n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yeb s GLY 24 N -2.96 1.82 0.57 -0.02 0.00 -0.66 -5.03 107.32 101.05 1yeb s GLY 24 Ca 0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 44.72 44.33 1yeb s GLY 24 CO 0.00 -0.02 1.06 2.56 0.00 0.00 0.00 173.10 176.70 1yeb s PRO 25 N -4.21 3.40 0.45 2.90 0.04 -1.26 -4.80 135.00 131.51 1yeb s PRO 25 Ca 0.51 1.27 -0.22 0.00 0.04 0.00 0.00 61.00 62.61 1yeb s PRO 25 Cb -0.10 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 1yeb s PRO 25 CO 0.37 -0.76 1.04 -0.80 0.04 0.00 0.00 177.00 176.89 1yeb s ASN 26 N -2.55 6.52 0.00 6.66 0.01 -1.26 -4.40 114.94 119.92 1yeb s ASN 26 Ca 0.65 1.95 0.00 0.00 -0.71 0.00 0.00 52.86 54.75 1yeb s ASN 26 Cb -0.17 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.93 1yeb s ASN 26 CO 0.33 -0.66 0.00 0.29 -1.51 0.00 0.00 177.10 175.56 1yeb n LYS 27 N -0.64 0.00 -0.30 -0.60 5.02 -1.26 -4.94 118.16 115.43 1yeb n LYS 27 Ca 0.08 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.32 1yeb n LYS 27 Cb 0.52 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.60 1yeb n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1yeb h VAL 28 N 0.00 1.24 -1.84 -0.18 2.07 -1.85 -3.43 116.25 112.26 1yeb h VAL 28 Ca 0.00 -0.56 -0.50 0.00 0.82 0.00 0.00 66.70 66.45 1yeb h VAL 28 Cb 0.00 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.86 1yeb h VAL 28 CO 0.00 0.26 -0.46 -0.83 0.02 0.00 0.00 177.57 176.56 1yeb s GLY 29 N -3.11 1.82 0.69 2.17 0.00 0.12 -5.05 107.32 103.96 1yeb s GLY 29 Ca -0.13 -1.69 -0.13 0.00 0.00 0.00 0.00 44.72 42.77 1yeb s GLY 29 CO 0.81 -1.61 1.09 2.56 0.00 0.00 0.00 173.10 175.95 1yeb s PRO 30 N -3.98 2.71 0.44 2.90 0.04 -1.26 -4.65 135.00 131.21 1yeb s PRO 30 Ca 0.41 1.24 -0.24 0.00 0.04 0.00 0.00 61.00 62.45 1yeb s PRO 30 Cb -0.05 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 1yeb s PRO 30 CO 0.26 -1.30 1.21 1.21 0.04 0.00 0.00 177.00 178.42 1yeb s ASN 31 N -3.02 6.19 0.00 6.66 3.84 -1.26 -4.49 114.94 122.87 1yeb s ASN 31 Ca 0.64 2.42 0.11 0.00 0.21 0.00 0.00 52.86 56.24 1yeb s ASN 31 Cb -0.18 -2.62 0.20 0.00 -0.55 0.00 0.00 41.25 38.10 1yeb s ASN 31 CO 0.47 -0.91 1.05 0.18 -2.79 0.00 0.00 177.10 175.10 1yeb n LEU 32 N -0.29 2.42 -4.76 3.21 4.77 -0.93 -4.97 117.00 116.46 1yeb n LEU 32 Ca 0.06 -1.51 -0.41 0.00 -0.03 0.00 0.00 56.01 54.13 1yeb n LEU 32 Cb 0.47 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1yeb n LEU 32 CO 0.50 0.55 1.07 1.57 -1.33 0.00 0.00 177.39 179.75 1yeb n HIS 33 N 0.56 2.75 -1.19 -1.77 -0.00 -1.19 -2.12 115.22 112.27 1yeb n HIS 33 Ca 0.09 0.46 -0.07 0.00 0.46 0.00 0.00 57.72 58.66 1yeb n HIS 33 Cb 0.35 -2.48 -0.03 0.00 -0.12 0.00 0.00 29.99 27.71 1yeb n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yeb n GLY 34 N 0.56 0.81 0.35 1.57 0.00 0.32 -4.94 105.19 103.85 1yeb n GLY 34 Ca 0.03 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.83 1yeb n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yeb h ILE 35 N 0.00 1.12 0.00 -0.61 6.09 -1.62 -2.84 117.51 119.64 1yeb h ILE 35 Ca -0.14 -0.31 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1yeb h ILE 35 Cb 0.70 0.15 0.00 0.00 0.47 0.00 0.00 36.82 38.13 1yeb h ILE 35 CO 0.20 0.16 0.00 0.49 -3.07 0.00 0.00 178.15 175.93 1yeb n PHE 36 N -4.45 0.00 0.29 2.19 3.72 -1.26 -1.82 117.46 116.12 1yeb n PHE 36 Ca 0.09 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.57 1yeb n PHE 36 Cb 0.11 -0.19 0.13 0.00 -0.94 0.00 0.00 39.48 38.59 1yeb n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yeb n GLY 37 N 0.33 1.23 3.60 1.37 0.00 -1.07 -4.77 105.19 105.87 1yeb n GLY 37 Ca 0.11 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.35 1yeb n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yeb s ARG 38 N -1.21 1.93 0.31 1.61 0.52 -0.76 -5.06 118.95 116.29 1yeb s ARG 38 Ca 0.25 -2.13 0.07 0.00 -0.52 0.00 0.00 55.73 53.41 1yeb s ARG 38 Cb 0.15 -1.36 -0.03 0.00 0.52 0.00 0.00 34.95 34.23 1yeb s ARG 38 CO 0.22 -0.17 0.25 -1.01 0.02 0.00 0.00 175.30 174.60 1yeb s HIS 39 N -2.92 2.95 0.65 -0.53 3.76 -1.26 -2.36 115.29 115.59 1yeb s HIS 39 Ca 0.29 -0.25 -0.18 0.00 -0.15 0.00 0.00 55.06 54.77 1yeb s HIS 39 Cb 0.08 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.10 1yeb s HIS 39 CO 0.14 0.30 1.29 -1.54 -0.85 0.00 0.00 174.74 174.08 1yeb s SER 40 N -3.93 4.56 -1.29 1.40 1.04 0.12 -3.99 113.70 111.61 1yeb s SER 40 Ca 0.38 2.60 -0.07 0.00 0.48 0.00 0.00 55.95 59.34 1yeb s SER 40 Cb -0.06 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.45 1yeb s SER 40 CO 0.26 -2.03 1.12 0.61 0.98 0.00 0.00 173.24 174.18 1yeb n GLY 41 N 0.86 -0.48 0.08 7.32 0.00 -1.26 -4.70 105.19 107.01 1yeb n GLY 41 Ca 0.16 0.21 0.01 0.00 0.00 0.00 0.00 46.02 46.39 1yeb n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1yeb n GLN 42 N -4.73 -0.54 -2.59 1.61 6.02 -1.26 -4.89 117.38 111.01 1yeb n GLN 42 Ca -0.05 -0.61 -0.42 0.00 -0.01 0.00 0.00 57.00 55.90 1yeb n GLN 42 Cb 0.58 -1.03 -0.03 0.00 1.02 0.00 0.00 30.24 30.78 1yeb n GLN 42 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1yeb s VAL 43 N -0.20 4.54 0.11 5.09 1.01 -1.26 -4.96 120.40 124.73 1yeb s VAL 43 Ca 0.02 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.52 1yeb s VAL 43 Cb 0.02 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 1yeb s VAL 43 CO 0.03 0.07 1.63 -0.75 0.00 0.00 0.00 175.10 176.09 1yeb s LYS 44 N 1.55 4.20 0.00 2.72 2.47 -1.26 -2.58 119.74 126.84 1yeb s LYS 44 Ca 0.53 2.37 0.00 0.00 -1.56 0.00 0.00 55.97 57.31 1yeb s LYS 44 Cb -0.23 -3.41 0.00 0.00 -1.46 0.00 0.00 37.83 32.73 1yeb s LYS 44 CO 0.24 -0.69 0.00 0.41 0.16 0.00 0.00 175.35 175.47 1yeb n GLY 45 N 3.92 2.46 3.73 5.54 0.00 -1.26 -5.02 105.19 114.56 1yeb n GLY 45 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1yeb n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yeb s TYR 46 N -2.21 3.76 -0.47 1.61 5.04 -1.06 -5.00 117.35 119.02 1yeb s TYR 46 Ca 0.00 1.65 -0.16 0.00 -2.44 0.00 0.00 57.07 56.13 1yeb s TYR 46 Cb 0.00 -2.97 0.07 0.00 0.35 0.00 0.00 41.96 39.41 1yeb s TYR 46 CO 0.00 0.20 0.39 -1.54 -1.34 0.00 0.00 175.55 173.26 1yeb s SER 47 N 0.12 6.15 0.46 4.32 1.04 -1.26 -4.92 113.70 119.61 1yeb s SER 47 Ca 0.44 -1.26 -0.02 0.00 0.48 0.00 0.00 55.95 55.59 1yeb s SER 47 Cb -0.22 -2.18 -0.01 0.00 0.10 0.00 0.00 66.02 63.71 1yeb s SER 47 CO 0.27 -0.63 0.71 -0.31 0.98 0.00 0.00 173.24 174.26 1yeb s TYR 48 N 1.67 3.33 0.60 5.02 2.02 -1.26 -5.08 117.35 123.66 1yeb s TYR 48 Ca 0.04 0.42 -0.13 0.00 -0.37 0.00 0.00 57.07 57.04 1yeb s TYR 48 Cb -0.24 -2.32 -0.05 0.00 -0.40 0.00 0.00 41.96 38.96 1yeb s TYR 48 CO 0.07 -0.35 1.02 0.95 -1.57 0.00 0.00 175.55 175.68 1yeb s THR 49 N -2.62 4.55 0.24 -0.71 -4.23 -1.26 -4.92 115.64 106.68 1yeb s THR 49 Ca 0.48 0.95 -0.05 0.00 -1.18 0.00 0.00 61.69 61.89 1yeb s THR 49 Cb -0.10 -3.76 0.20 0.00 1.34 0.00 0.00 72.50 70.18 1yeb s THR 49 CO 0.40 -0.96 1.82 0.44 -0.54 0.00 0.00 174.62 175.77 1yeb h ASP 50 N 0.02 0.68 -0.52 3.99 3.45 -1.98 -2.32 116.42 119.74 1yeb h ASP 50 Ca -0.45 0.04 0.08 0.00 0.43 0.00 0.00 57.03 57.13 1yeb h ASP 50 Cb 1.19 -0.09 -0.10 0.00 -0.56 0.00 0.00 39.33 39.77 1yeb h ASP 50 CO 0.61 0.40 -0.47 0.00 -1.57 0.00 0.00 179.24 178.22 1yeb h ALA 51 N 1.43 -0.46 -0.37 3.45 0.00 -1.88 0.27 119.26 121.70 1yeb h ALA 51 Ca 0.38 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.23 1yeb h ALA 51 Cb 0.31 1.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1yeb h ALA 51 CO -0.23 -0.89 -0.32 -0.97 0.00 0.00 0.00 179.25 176.84 1yeb h ASN 52 N -0.28 0.86 0.19 0.00 -0.73 -1.80 -0.94 115.58 112.89 1yeb h ASN 52 Ca 0.15 -0.36 -0.01 0.00 1.87 0.00 0.00 56.30 57.94 1yeb h ASN 52 Cb 0.57 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.92 1yeb h ASN 52 CO -0.65 1.11 -0.09 0.40 -0.37 0.00 0.00 177.43 177.82 1yeb h ILE 53 N 0.69 0.86 -0.53 2.57 2.04 -0.82 -2.99 117.51 119.34 1yeb h ILE 53 Ca 0.07 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1yeb h ILE 53 Cb 0.88 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.95 1yeb h ILE 53 CO 0.08 0.06 0.26 0.78 0.00 0.00 0.00 178.15 179.33 1yeb h ASN 54 N -0.38 0.66 -0.70 1.72 4.21 -0.47 -2.21 115.58 118.41 1yeb h ASN 54 Ca -0.03 -0.06 0.15 0.00 1.21 0.00 0.00 56.30 57.57 1yeb h ASN 54 Cb 0.30 -0.17 -0.04 0.00 -1.12 0.00 0.00 38.32 37.29 1yeb h ASN 54 CO 0.04 0.56 0.47 0.50 -1.29 0.00 0.00 177.43 177.71 1yeb h LYS 55 N 0.74 0.32 -6.36 0.81 3.64 -1.01 -3.46 116.57 111.25 1yeb h LYS 55 Ca 0.19 -0.02 -0.47 0.00 -1.27 0.00 0.00 60.65 59.07 1yeb h LYS 55 Cb 0.07 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1yeb h LYS 55 CO -0.03 0.21 -0.85 -1.71 -2.27 0.00 0.00 179.45 174.80 1yeb n ASN 56 N -4.46 -1.18 -4.71 4.20 4.05 -0.83 -4.90 115.26 107.43 1yeb n ASN 56 Ca 0.13 -0.93 -0.42 0.00 0.45 0.00 0.00 54.58 53.81 1yeb n ASN 56 Cb 0.53 -3.44 -0.03 0.00 1.23 0.00 0.00 39.78 38.08 1yeb n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1yeb s VAL 57 N -3.76 4.21 -0.45 3.44 1.01 -1.26 -4.75 120.40 118.84 1yeb s VAL 57 Ca 0.11 1.58 -0.20 0.00 0.00 0.00 0.00 61.98 63.47 1yeb s VAL 57 Cb -0.06 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.34 1yeb s VAL 57 CO 0.86 0.11 0.61 -0.75 0.00 0.00 0.00 175.10 175.93 1yeb s LYS 58 N 1.17 3.22 -0.15 2.72 2.47 -1.26 0.13 119.74 128.04 1yeb s LYS 58 Ca 0.57 -0.52 -0.29 0.00 -1.56 0.00 0.00 55.97 54.17 1yeb s LYS 58 Cb -0.27 -3.98 -0.02 0.00 -1.46 0.00 0.00 37.83 32.10 1yeb s LYS 58 CO 0.28 -1.02 1.35 -1.58 0.16 0.00 0.00 175.35 174.54 1yeb s TRP 59 N 2.69 2.65 0.19 4.03 0.52 -0.99 -4.78 118.94 123.25 1yeb s TRP 59 Ca 0.20 0.83 -0.01 0.00 0.02 0.00 0.00 56.10 57.14 1yeb s TRP 59 Cb -0.15 -3.61 -0.04 0.00 -1.15 0.00 0.00 33.47 28.52 1yeb s TRP 59 CO 0.17 -2.16 0.12 0.16 0.02 0.00 0.00 176.95 175.26 1yeb s ASP 60 N 2.32 0.22 0.50 2.95 -4.77 -1.26 -4.35 116.67 112.29 1yeb s ASP 60 Ca 0.59 -1.36 0.24 0.00 -3.30 0.00 0.00 52.55 48.71 1yeb s ASP 60 Cb -0.24 0.36 1.30 0.00 -1.09 0.00 0.00 42.92 43.25 1yeb s ASP 60 CO 0.18 -0.82 1.95 1.05 0.70 0.00 0.00 175.17 178.23 1yeb h GLU 61 N 2.64 0.13 0.15 2.11 4.11 -1.97 0.13 114.58 121.89 1yeb h GLU 61 Ca -0.36 -0.01 -0.24 0.00 0.07 0.00 0.00 59.36 58.82 1yeb h GLU 61 Cb 1.24 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 30.48 1yeb h GLU 61 CO 0.54 0.09 -1.14 -0.44 0.07 0.00 0.00 179.01 178.13 1yeb h ASP 62 N 0.13 0.51 -0.45 3.06 3.32 -1.96 -2.29 116.42 118.74 1yeb h ASP 62 Ca 0.33 -0.92 -0.05 0.00 0.02 0.00 0.00 57.03 56.42 1yeb h ASP 62 Cb 1.12 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1yeb h ASP 62 CO -0.05 1.53 0.12 0.77 -1.72 0.00 0.00 179.24 179.89 1yeb h SER 63 N -0.25 0.73 -0.24 6.45 4.64 -1.74 -2.95 113.55 120.20 1yeb h SER 63 Ca -0.22 -0.13 -0.03 0.00 -0.47 0.00 0.00 61.79 60.94 1yeb h SER 63 Cb 1.78 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.67 1yeb h SER 63 CO 0.14 0.73 0.02 -0.03 -0.87 0.00 0.00 176.83 176.83 1yeb h MET 64 N 0.76 0.41 -0.90 4.77 1.85 -0.82 -0.36 114.93 120.63 1yeb h MET 64 Ca 0.17 -0.12 0.01 0.00 -0.61 0.00 0.00 59.70 59.15 1yeb h MET 64 Cb 0.29 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.24 1yeb h MET 64 CO -0.00 0.56 0.59 1.03 -0.40 0.00 0.00 176.91 178.69 1yeb h SER 65 N 0.20 1.02 -0.18 1.39 0.87 -1.34 -1.52 113.55 113.98 1yeb h SER 65 Ca 0.07 -0.02 -0.21 0.00 -1.23 0.00 0.00 61.79 60.39 1yeb h SER 65 Cb 0.36 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1yeb h SER 65 CO 0.01 0.73 -0.72 -0.08 -0.53 0.00 0.00 176.83 176.23 1yeb h GLU 66 N 1.20 0.82 0.10 2.24 4.57 -1.33 -2.95 114.58 119.22 1yeb h GLU 66 Ca 0.33 -0.63 -0.01 0.00 -1.18 0.00 0.00 59.36 57.88 1yeb h GLU 66 Cb -0.11 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1yeb h GLU 66 CO -0.08 1.24 -0.05 -0.92 -1.18 0.00 0.00 179.01 178.02 1yeb h TYR 67 N 0.57 -0.13 0.00 0.92 5.03 -0.80 -2.22 116.97 120.35 1yeb h TYR 67 Ca -0.04 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1yeb h TYR 67 Cb 1.35 0.04 0.00 0.00 1.55 0.00 0.00 36.73 39.67 1yeb h TYR 67 CO 0.08 -0.01 0.00 1.28 -1.32 0.00 0.00 178.16 178.19 1yeb n LEU 68 N -5.11 0.53 -0.15 2.82 4.77 -0.60 -0.59 117.00 118.67 1yeb n LEU 68 Ca -0.08 0.66 -0.09 0.00 -0.03 0.00 0.00 56.01 56.46 1yeb n LEU 68 Cb 0.11 -0.61 -0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1yeb n LEU 68 CO 0.34 -0.59 0.91 0.74 -1.33 0.00 0.00 177.39 177.45 1yeb h THR 69 N 0.00 1.22 -0.55 -5.08 2.02 -1.21 0.30 112.91 109.61 1yeb h THR 69 Ca 0.00 -0.71 0.14 0.00 0.77 0.00 0.00 66.41 66.61 1yeb h THR 69 Cb 0.26 0.84 -0.20 0.00 -1.74 0.00 0.00 68.15 67.32 1yeb h THR 69 CO 0.00 0.26 -0.16 0.21 0.37 0.00 0.00 175.52 176.20 1yeb s ASN 70 N -5.98 -0.90 0.00 4.18 3.84 -0.86 -3.86 114.94 111.36 1yeb s ASN 70 Ca -0.13 0.11 0.00 0.00 0.21 0.00 0.00 52.86 53.05 1yeb s ASN 70 Cb 0.11 1.57 0.00 0.00 -0.55 0.00 0.00 41.25 42.38 1yeb s ASN 70 CO 0.77 -0.16 0.00 -2.65 -2.79 0.00 0.00 177.10 172.27 1yeb n PRO 71 N 5.23 0.00 0.00 0.43 -0.02 0.24 -2.16 135.00 138.72 1yeb n PRO 71 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1yeb n PRO 71 Cb 0.56 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 1yeb n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1yeb n LYS 73 N 0.15 0.00 -0.01 -0.52 3.00 -1.26 0.38 118.16 119.90 1yeb n LYS 73 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.15 1yeb n LYS 73 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 1yeb n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1yeb h TYR 74 N 0.00 0.51 -2.67 5.64 3.20 -1.77 -3.38 116.97 118.49 1yeb h TYR 74 Ca 0.00 -0.26 -0.60 0.00 3.14 0.00 0.00 58.73 61.01 1yeb h TYR 74 Cb 0.00 -0.06 -0.41 0.00 1.54 0.00 0.00 36.73 37.80 1yeb h TYR 74 CO 0.00 1.06 -0.73 -0.89 -1.64 0.00 0.00 178.16 175.96 1yeb n ILE 75 N -4.32 0.77 -1.62 1.81 5.41 0.16 -5.10 119.36 116.45 1yeb n ILE 75 Ca -0.10 -4.45 -0.46 0.00 1.00 0.00 0.00 62.75 58.74 1yeb n ILE 75 Cb 0.60 -2.01 -0.03 0.00 -0.71 0.00 0.00 39.64 37.49 1yeb n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1yeb n PRO 76 N 2.00 1.58 0.00 0.38 -0.02 -1.26 -1.00 135.00 136.68 1yeb n PRO 76 Ca 0.24 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 1yeb n PRO 76 Cb 0.41 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 1yeb n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yeb n GLY 77 N 1.78 3.28 3.68 -1.23 0.00 -1.26 -4.82 105.19 106.62 1yeb n GLY 77 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1yeb n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1yeb n THR 78 N -1.53 2.23 0.76 2.61 5.66 -0.17 -4.84 114.28 119.01 1yeb n THR 78 Ca 0.00 -0.50 0.10 0.00 -3.05 0.00 0.00 64.05 60.60 1yeb n THR 78 Cb 0.00 -1.48 0.27 0.00 -1.55 0.00 0.00 70.33 67.57 1yeb n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1yeb n LYS 79 N 0.35 2.02 -2.33 1.09 2.85 -1.26 -4.85 118.16 116.04 1yeb n LYS 79 Ca 0.06 -1.56 -0.43 0.00 -1.05 0.00 0.00 58.31 55.33 1yeb n LYS 79 Cb 0.37 -1.40 -0.02 0.00 -0.65 0.00 0.00 35.03 33.32 1yeb n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1yeb s MET 80 N -1.57 4.08 -1.20 -1.58 1.75 -1.26 -4.91 119.30 114.62 1yeb s MET 80 Ca 0.33 1.61 -0.10 0.00 -1.25 0.00 0.00 55.69 56.29 1yeb s MET 80 Cb 0.18 -3.86 0.21 0.00 2.84 0.00 0.00 34.83 34.20 1yeb s MET 80 CO 0.25 -0.91 1.54 0.00 -0.65 0.00 0.00 175.02 175.25 1yeb n ALA 81 N 7.19 4.66 -3.42 4.11 0.00 -1.26 -4.94 120.51 126.85 1yeb n ALA 81 Ca 0.15 -4.44 -0.15 0.00 0.00 0.00 0.00 53.44 49.00 1yeb n ALA 81 Cb 0.45 -2.81 -0.15 0.00 0.00 0.00 0.00 19.45 16.94 1yeb n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1yeb s PHE 82 N -0.08 0.13 0.19 0.00 2.19 -1.26 -5.05 117.98 114.12 1yeb s PHE 82 Ca 0.38 0.04 -0.07 0.00 0.33 0.00 0.00 56.93 57.61 1yeb s PHE 82 Cb 0.01 -0.22 0.12 0.00 -1.31 0.00 0.00 43.02 41.62 1yeb s PHE 82 CO 0.01 -0.07 1.60 0.78 1.83 0.00 0.00 175.22 179.37 1yeb h GLY 83 N 6.85 0.94 0.00 13.12 0.00 -1.96 -3.40 103.07 118.62 1yeb h GLY 83 Ca -0.38 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.15 1yeb h GLY 83 CO 0.49 0.74 0.00 0.61 0.00 0.00 0.00 176.54 178.38 1yeb n GLY 84 N -0.20 1.93 3.09 4.60 0.00 -1.26 -4.43 105.19 108.92 1yeb n GLY 84 Ca 0.00 -2.05 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 1yeb n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yeb s LEU 85 N 0.00 4.26 0.30 0.99 1.43 0.11 -5.00 118.68 120.77 1yeb s LEU 85 Ca 0.00 -1.71 0.09 0.00 -1.03 0.00 0.00 54.13 51.48 1yeb s LEU 85 Cb 0.00 -1.66 0.45 0.00 0.03 0.00 0.00 46.19 45.01 1yeb s LEU 85 CO 0.00 -0.32 1.68 0.11 0.23 0.00 0.00 176.35 178.04 1yeb h LYS 86 N 7.82 0.12 -5.76 1.70 1.79 -1.83 -3.39 116.57 117.02 1yeb h LYS 86 Ca -0.14 -0.07 -0.58 0.00 -2.18 0.00 0.00 60.65 57.68 1yeb h LYS 86 Cb 1.04 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.62 1yeb h LYS 86 CO 0.54 0.59 -0.18 0.15 -1.08 0.00 0.00 179.45 179.46 1yeb s LYS 87 N -3.94 4.23 0.15 3.15 3.01 -1.26 -4.96 119.74 120.13 1yeb s LYS 87 Ca -0.03 0.39 -0.17 0.00 -1.01 0.00 0.00 55.97 55.15 1yeb s LYS 87 Cb 0.13 -3.38 0.06 0.00 -1.01 0.00 0.00 37.83 33.63 1yeb s LYS 87 CO 0.76 0.30 1.72 1.49 0.51 0.00 0.00 175.35 180.13 1yeb h GLU 88 N 6.23 0.14 -0.68 1.68 4.81 -1.99 0.03 114.58 124.80 1yeb h GLU 88 Ca -0.43 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 58.93 1yeb h GLU 88 Cb 1.19 -0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.43 1yeb h GLU 88 CO 0.72 0.09 0.10 -0.22 -0.73 0.00 0.00 179.01 178.97 1yeb h LYS 89 N 0.14 0.19 -0.67 1.92 1.63 -1.98 1.13 116.57 118.93 1yeb h LYS 89 Ca 0.16 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.89 1yeb h LYS 89 Cb 0.20 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 1yeb h LYS 89 CO -0.24 0.13 0.19 -0.44 -3.45 0.00 0.00 179.45 175.65 1yeb h ASP 90 N 0.20 0.98 0.56 4.20 3.45 -1.57 -2.59 116.42 121.64 1yeb h ASP 90 Ca 0.37 -0.18 -0.19 0.00 0.43 0.00 0.00 57.03 57.46 1yeb h ASP 90 Cb 0.62 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.12 1yeb h ASP 90 CO -0.52 0.92 -0.84 0.03 -1.57 0.00 0.00 179.24 177.26 1yeb h ARG 91 N 1.00 0.19 -0.34 3.56 3.08 0.11 -2.29 114.38 119.70 1yeb h ARG 91 Ca 0.22 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1yeb h ARG 91 Cb 0.31 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1yeb h ARG 91 CO -0.01 0.92 0.14 -0.91 -1.07 0.00 0.00 179.97 179.05 1yeb h ASN 92 N 0.11 0.46 0.29 7.04 2.35 0.14 0.46 115.58 126.43 1yeb h ASN 92 Ca -0.04 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1yeb h ASN 92 Cb 1.45 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.71 1yeb h ASN 92 CO 0.13 0.49 -0.14 0.44 -1.65 0.00 0.00 177.43 176.69 1yeb h ASP 93 N 0.40 -0.33 0.39 5.81 3.32 -1.52 0.15 116.42 124.63 1yeb h ASP 93 Ca 0.11 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1yeb h ASP 93 Cb 0.17 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1yeb h ASP 93 CO -0.01 -0.18 -0.19 0.25 -1.72 0.00 0.00 179.24 177.40 1yeb h LEU 94 N -0.46 -0.44 -2.11 1.55 5.85 -1.34 -1.37 115.31 116.99 1yeb h LEU 94 Ca -0.04 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1yeb h LEU 94 Cb 0.35 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.49 1yeb h LEU 94 CO 0.07 -0.27 0.07 0.40 -0.34 0.00 0.00 178.44 178.37 1yeb h ILE 95 N -0.57 0.82 0.34 4.05 2.04 -0.01 -1.06 117.51 123.12 1yeb h ILE 95 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1yeb h ILE 95 Cb 0.43 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1yeb h ILE 95 CO 0.09 0.00 -0.41 0.74 0.00 0.00 0.00 178.15 178.57 1yeb h THR 96 N 0.00 0.17 -0.38 -0.27 2.02 0.20 -1.06 112.91 113.59 1yeb h THR 96 Ca 0.04 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.28 1yeb h THR 96 Cb 0.18 0.17 -0.05 0.00 -1.74 0.00 0.00 68.15 66.71 1yeb h THR 96 CO -0.00 0.00 0.09 0.22 0.37 0.00 0.00 175.52 176.20 1yeb h TYR 97 N -0.79 0.15 -0.06 3.16 3.20 -0.68 -2.64 116.97 119.31 1yeb h TYR 97 Ca -0.02 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.89 1yeb h TYR 97 Cb 0.73 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.96 1yeb h TYR 97 CO -0.26 0.03 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.15 1yeb h LEU 98 N 0.22 -0.23 -0.55 2.82 3.38 -1.06 0.43 115.31 120.33 1yeb h LEU 98 Ca 0.18 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.29 1yeb h LEU 98 Cb 0.20 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 1yeb h LEU 98 CO -0.23 -0.11 0.11 0.11 0.09 0.00 0.00 178.44 178.42 1yeb h LYS 99 N -0.11 0.24 -0.12 1.13 1.57 -1.13 0.73 116.57 118.88 1yeb h LYS 99 Ca 0.05 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1yeb h LYS 99 Cb 0.18 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1yeb h LYS 99 CO -0.12 0.16 -0.04 0.87 -0.57 0.00 0.00 179.45 179.75 1yeb h LYS 100 N 0.25 0.24 0.00 3.15 1.57 -0.96 -3.33 116.57 117.49 1yeb h LYS 100 Ca 0.28 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.86 1yeb h LYS 100 Cb 0.39 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1yeb h LYS 100 CO -0.36 0.55 -0.47 0.00 -0.57 0.00 0.00 179.45 178.60 1yeb h ALA 101 N 0.68 0.86 0.00 3.86 0.00 0.12 -3.28 119.26 121.50 1yeb h ALA 101 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1yeb h ALA 101 Cb 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yeb h ALA 101 CO 0.01 0.59 -0.13 0.00 0.00 0.00 0.00 179.25 179.72