#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2orl n GLU -4 N 0.00 3.36 -1.55 -2.82 2.13 -1.26 -5.06 120.64 115.44 2orl n GLU -4 Ca 0.00 -4.11 -0.40 0.00 0.66 0.00 0.00 57.16 53.31 2orl n GLU -4 Cb 0.00 -2.29 0.03 0.00 0.27 0.00 0.00 31.44 29.45 2orl n GLU -4 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2orl n PHE -3 N -0.43 0.37 -3.66 4.31 7.35 -1.26 -4.84 117.46 119.30 2orl n PHE -3 Ca 0.46 0.50 -0.06 0.00 -0.76 0.00 0.00 57.45 57.60 2orl n PHE -3 Cb 0.39 -2.10 -0.07 0.00 0.35 0.00 0.00 39.48 38.04 2orl n PHE -3 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2orl s LYS -2 N -2.16 0.49 0.34 -4.13 2.20 -1.26 -5.12 119.74 110.10 2orl s LYS -2 Ca 0.68 1.20 -0.25 0.00 -0.36 0.00 0.00 55.97 57.23 2orl s LYS -2 Cb -0.50 0.47 -0.14 0.00 -1.51 0.00 0.00 37.83 36.15 2orl s LYS -2 CO 0.54 -0.20 0.73 0.00 -0.36 0.00 0.00 175.35 176.05 2orl n ALA -1 N 5.10 -1.18 -2.73 3.13 0.00 -1.26 -4.22 120.51 119.35 2orl n ALA -1 Ca -0.13 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2orl n ALA -1 Cb 0.51 -1.85 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2orl n ALA -1 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2orl n GLY 1 N 1.59 4.29 3.51 0.00 0.00 -1.26 -4.82 105.19 108.50 2orl n GLY 1 Ca 0.12 -1.69 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 2orl n GLY 1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2orl s SER 2 N 0.46 -0.70 0.37 1.61 0.01 -1.26 -5.03 113.70 109.16 2orl s SER 2 Ca 0.00 1.26 0.18 0.00 1.31 0.00 0.00 55.95 58.70 2orl s SER 2 Cb 0.00 1.22 1.12 0.00 0.21 0.00 0.00 66.02 68.57 2orl s SER 2 CO 0.00 -0.22 1.70 0.00 0.41 0.00 0.00 173.24 175.13 2orl h ALA 3 N 5.91 2.16 -0.02 1.44 0.00 -1.90 0.94 119.26 127.79 2orl h ALA 3 Ca -0.30 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2orl h ALA 3 Cb 1.19 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2orl h ALA 3 CO 0.15 -0.68 0.00 1.17 0.00 0.00 0.00 179.25 179.89 2orl n LYS 4 N -4.82 1.12 -0.03 0.00 4.81 -1.26 -3.20 118.16 114.77 2orl n LYS 4 Ca 0.30 -0.18 -0.08 0.00 -0.87 0.00 0.00 58.31 57.48 2orl n LYS 4 Cb 0.99 -1.35 -0.03 0.00 0.02 0.00 0.00 35.03 34.66 2orl n LYS 4 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2orl n LYS 5 N -0.65 0.23 -0.09 1.64 5.02 0.29 -4.52 118.16 120.08 2orl n LYS 5 Ca 0.16 0.10 0.05 0.00 -2.02 0.00 0.00 58.31 56.60 2orl n LYS 5 Cb 0.12 -0.89 0.39 0.00 -0.02 0.00 0.00 35.03 34.62 2orl n LYS 5 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2orl h GLY 6 N -0.41 0.75 0.89 0.72 0.00 -1.62 -2.79 103.07 100.61 2orl h GLY 6 Ca -0.16 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 46.93 2orl h GLY 6 CO -0.10 0.22 0.09 0.00 0.00 0.00 0.00 176.54 176.76 2orl h ALA 7 N 1.67 0.23 -0.97 3.60 0.00 -1.80 -2.40 119.26 119.59 2orl h ALA 7 Ca 0.23 0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.36 2orl h ALA 7 Cb 0.10 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 2orl h ALA 7 CO -0.06 -0.33 0.62 1.79 0.00 0.00 0.00 179.25 181.26 2orl h THR 8 N 0.19 0.67 0.10 0.00 1.35 -1.72 0.44 112.91 113.93 2orl h THR 8 Ca 0.08 -0.20 -0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2orl h THR 8 Cb 0.03 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.50 2orl h THR 8 CO -0.07 0.10 -0.05 -0.07 -0.25 0.00 0.00 175.52 175.19 2orl h LEU 9 N 0.57 -0.11 -1.05 3.87 3.38 -1.57 -3.28 115.31 117.12 2orl h LEU 9 Ca 0.54 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2orl h LEU 9 Cb 1.09 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 2orl h LEU 9 CO -0.29 0.44 0.32 0.15 0.09 0.00 0.00 178.44 179.15 2orl h PHE 10 N -0.72 0.99 0.00 1.13 3.04 -0.97 -0.54 116.94 119.86 2orl h PHE 10 Ca -0.01 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.89 2orl h PHE 10 Cb 0.55 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.76 2orl h PHE 10 CO 0.10 0.73 0.00 1.17 -2.02 0.00 0.00 178.31 178.29 2orl n LYS 11 N -4.33 0.52 0.00 1.11 3.00 0.15 0.23 118.16 118.84 2orl n LYS 11 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.37 2orl n LYS 11 Cb 0.14 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 33.88 2orl n LYS 11 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2orl n THR 12 N -0.80 0.00 0.49 3.15 -1.04 -1.08 -4.50 114.28 110.51 2orl n THR 12 Ca 0.07 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.20 2orl n THR 12 Cb 0.03 -0.23 0.16 0.00 -1.82 0.00 0.00 70.33 68.48 2orl n THR 12 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2orl h ARG 13 N 0.00 0.00 0.00 -2.82 2.47 -1.15 -3.39 114.38 109.50 2orl h ARG 13 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2orl h ARG 13 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2orl h ARG 13 CO 0.00 0.00 -0.59 0.00 0.56 0.00 0.00 179.97 179.94 2orl h LEU 15 N 0.00 0.84 -1.42 0.00 5.85 -0.43 -1.40 115.31 118.75 2orl h LEU 15 Ca 0.00 0.05 0.48 0.00 0.84 0.00 0.00 57.88 59.25 2orl h LEU 15 Cb 0.59 -0.11 -0.14 0.00 0.37 0.00 0.00 40.66 41.37 2orl h LEU 15 CO 0.00 0.42 0.90 0.06 -0.34 0.00 0.00 178.44 179.49 2orl h GLN 16 N 0.89 0.02 0.00 1.25 3.07 -1.85 -3.11 115.11 115.37 2orl h GLN 16 Ca 0.50 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.23 2orl h GLN 16 Cb 0.60 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.16 2orl h GLN 16 CO -0.26 0.01 -0.84 0.00 0.09 0.00 0.00 178.83 177.83 2orl n HIS 18 N -1.99 -3.13 -3.66 0.00 8.25 -0.55 -0.33 115.22 113.81 2orl n HIS 18 Ca 0.00 -0.41 -0.09 0.00 -0.26 0.00 0.00 57.72 56.96 2orl n HIS 18 Cb 0.42 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 31.29 2orl n HIS 18 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2orl s THR 19 N -0.24 -0.58 0.12 1.59 -4.23 -1.26 -4.60 115.64 106.45 2orl s THR 19 Ca 0.14 0.16 0.12 0.00 -1.18 0.00 0.00 61.69 60.93 2orl s THR 19 Cb -0.01 -0.67 -0.04 0.00 1.34 0.00 0.00 72.50 73.13 2orl s THR 19 CO 0.09 0.07 1.50 1.62 -0.54 0.00 0.00 174.62 177.35 2orl h VAL 20 N 6.08 1.30 -2.25 2.29 3.04 -1.95 -2.80 116.25 121.97 2orl h VAL 20 Ca -0.18 -2.44 -0.48 0.00 -1.01 0.00 0.00 66.70 62.59 2orl h VAL 20 Cb 1.12 2.39 -0.01 0.00 -2.01 0.00 0.00 31.29 32.77 2orl h VAL 20 CO 0.14 0.66 -0.44 -1.61 -1.01 0.00 0.00 177.57 175.31 2orl s GLU 21 N -3.19 3.41 0.00 4.17 8.01 -1.26 -3.76 118.70 126.08 2orl s GLU 21 Ca 0.01 -0.75 0.28 0.00 0.01 0.00 0.00 54.97 54.52 2orl s GLU 21 Cb 0.10 -2.89 1.06 0.00 -4.31 0.00 0.00 34.13 28.10 2orl s GLU 21 CO 0.76 0.44 1.79 1.63 0.01 0.00 0.00 175.26 179.90 2orl n LYS 22 N -1.26 0.08 0.04 1.61 5.02 -1.26 -3.66 118.16 118.73 2orl n LYS 22 Ca -0.09 -0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.31 2orl n LYS 22 Cb 0.57 -1.50 0.52 0.00 -0.02 0.00 0.00 35.03 34.59 2orl n LYS 22 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2orl n GLY 23 N 1.47 -1.51 3.68 0.72 0.00 -1.26 -4.79 105.19 103.50 2orl n GLY 23 Ca 0.08 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2orl n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2orl s GLY 24 N -3.21 2.29 0.58 -0.02 0.00 -1.24 -5.05 107.32 100.67 2orl s GLY 24 Ca 0.12 0.05 -0.20 0.00 0.00 0.00 0.00 44.72 44.68 2orl s GLY 24 CO 0.52 1.48 1.33 2.56 0.00 0.00 0.00 173.10 178.99 2orl s PRO 25 N 1.67 2.93 -0.22 2.90 0.04 -1.26 -4.88 135.00 136.18 2orl s PRO 25 Ca 0.37 2.17 -0.28 0.00 0.04 0.00 0.00 61.00 63.30 2orl s PRO 25 Cb -0.17 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 2orl s PRO 25 CO 0.15 -1.33 2.11 -1.01 0.04 0.00 0.00 177.00 176.95 2orl s HIS 26 N -1.34 1.32 0.00 0.56 3.76 -1.26 -4.88 115.29 113.44 2orl s HIS 26 Ca 0.76 0.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.16 2orl s HIS 26 Cb -0.39 -3.98 0.00 0.00 1.11 0.00 0.00 32.58 29.31 2orl s HIS 26 CO 0.45 -3.93 0.00 1.17 -0.85 0.00 0.00 174.74 171.58 2orl n LYS 27 N 8.60 3.47 0.28 1.40 4.81 -1.25 -4.89 118.16 130.58 2orl n LYS 27 Ca 0.28 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.89 2orl n LYS 27 Cb 0.45 0.00 0.96 0.00 0.02 0.00 0.00 35.03 36.46 2orl n LYS 27 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2orl h VAL 28 N 0.00 0.34 -3.70 3.15 2.07 -1.73 -3.42 116.25 112.96 2orl h VAL 28 Ca 0.00 0.00 -0.56 0.00 0.82 0.00 0.00 66.70 66.96 2orl h VAL 28 Cb 0.00 0.93 -0.20 0.00 -1.52 0.00 0.00 31.29 30.49 2orl h VAL 28 CO 0.00 0.00 -0.81 -0.83 0.02 0.00 0.00 177.57 175.95 2orl s GLY 29 N -4.06 1.32 0.84 2.17 0.00 0.55 -4.96 107.32 103.19 2orl s GLY 29 Ca -0.05 -1.35 -0.11 0.00 0.00 0.00 0.00 44.72 43.21 2orl s GLY 29 CO 0.49 -1.37 1.09 2.56 0.00 0.00 0.00 173.10 175.88 2orl s PRO 30 N -2.22 1.72 -0.01 2.90 0.04 -1.26 -4.39 135.00 131.78 2orl s PRO 30 Ca 0.10 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 2orl s PRO 30 Cb -0.09 -1.85 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2orl s PRO 30 CO 0.05 -1.95 1.44 1.21 0.04 0.00 0.00 177.00 177.79 2orl s ASN 31 N -3.45 6.82 0.00 6.66 3.84 -1.26 -4.26 114.94 123.29 2orl s ASN 31 Ca 0.62 2.14 0.26 0.00 0.21 0.00 0.00 52.86 56.10 2orl s ASN 31 Cb -0.17 -2.56 0.73 0.00 -0.55 0.00 0.00 41.25 38.70 2orl s ASN 31 CO 0.56 -0.75 1.55 0.18 -2.79 0.00 0.00 177.10 175.85 2orl n LEU 32 N 5.59 1.35 -4.55 3.21 4.77 -1.05 -4.76 117.00 121.56 2orl n LEU 32 Ca 0.14 -0.41 -0.36 0.00 -0.03 0.00 0.00 56.01 55.34 2orl n LEU 32 Cb 0.43 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 2orl n LEU 32 CO 0.59 0.24 1.47 -2.28 -1.33 0.00 0.00 177.39 176.08 2orl s HIS 33 N -2.34 1.84 0.00 -1.77 2.46 -1.25 -3.09 115.29 111.15 2orl s HIS 33 Ca 0.28 0.52 0.00 0.00 0.47 0.00 0.00 55.06 56.32 2orl s HIS 33 Cb 0.20 -4.20 0.00 0.00 -0.13 0.00 0.00 32.58 28.45 2orl s HIS 33 CO 0.46 -2.11 0.00 0.41 -2.47 0.00 0.00 174.74 171.04 2orl n GLY 34 N 6.04 1.95 0.13 1.59 0.00 -1.26 -4.91 105.19 108.73 2orl n GLY 34 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 2orl n GLY 34 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2orl h ILE 35 N 0.00 1.08 -1.66 -0.61 3.07 -1.89 -3.44 117.51 114.06 2orl h ILE 35 Ca 0.00 -2.65 -0.63 0.00 1.55 0.00 0.00 64.86 63.12 2orl h ILE 35 Cb 0.00 2.81 -0.00 0.00 -0.27 0.00 0.00 36.82 39.36 2orl h ILE 35 CO 0.00 0.84 1.33 0.49 -1.05 0.00 0.00 178.15 179.76 2orl n PHE 36 N -3.56 1.95 0.00 0.16 3.72 -1.26 -1.02 117.46 117.45 2orl n PHE 36 Ca -0.20 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2orl n PHE 36 Cb 1.07 -2.63 0.00 0.00 -0.94 0.00 0.00 39.48 36.98 2orl n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2orl n GLY 37 N 5.60 0.64 3.78 1.37 0.00 -0.46 -5.01 105.19 111.11 2orl n GLY 37 Ca 0.32 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.10 2orl n GLY 37 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2orl s ARG 38 N -0.58 2.32 0.52 1.61 0.52 -0.19 -4.89 118.95 118.27 2orl s ARG 38 Ca 0.00 -1.75 -0.03 0.00 -0.52 0.00 0.00 55.73 53.43 2orl s ARG 38 Cb 0.00 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.36 2orl s ARG 38 CO 0.00 -0.14 0.80 -1.01 0.02 0.00 0.00 175.30 174.97 2orl s HIS 39 N -2.56 3.25 0.33 -0.53 3.76 -1.26 -1.35 115.29 116.93 2orl s HIS 39 Ca 0.43 0.47 -0.29 0.00 -0.15 0.00 0.00 55.06 55.52 2orl s HIS 39 Cb 0.02 -2.54 -0.11 0.00 1.11 0.00 0.00 32.58 31.06 2orl s HIS 39 CO 0.24 -0.60 1.41 -1.12 -0.85 0.00 0.00 174.74 173.83 2orl s SER 40 N -4.26 6.57 0.00 1.40 0.01 -0.28 -4.04 113.70 113.11 2orl s SER 40 Ca 0.51 2.83 0.00 0.00 1.31 0.00 0.00 55.95 60.60 2orl s SER 40 Cb -0.10 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2orl s SER 40 CO 0.42 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.97 2orl n GLY 41 N 1.02 0.47 0.03 3.44 0.00 -1.26 -4.38 105.19 104.50 2orl n GLY 41 Ca 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 46.02 45.69 2orl n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2orl n GLN 42 N -0.75 2.13 -1.69 1.61 6.02 -1.26 -4.97 117.38 118.48 2orl n GLN 42 Ca 0.00 -1.45 -0.44 0.00 -0.01 0.00 0.00 57.00 55.10 2orl n GLN 42 Cb 0.38 -0.96 -0.04 0.00 1.02 0.00 0.00 30.24 30.64 2orl n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2orl n ALA 43 N -0.52 1.90 -1.90 -1.58 0.00 -1.26 -4.89 120.51 112.26 2orl n ALA 43 Ca 0.02 0.35 -0.39 0.00 0.00 0.00 0.00 53.44 53.43 2orl n ALA 43 Cb 0.36 -2.51 -0.03 0.00 0.00 0.00 0.00 19.45 17.27 2orl n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2orl n GLU 44 N 5.01 2.25 0.00 0.00 4.71 -1.26 -3.11 120.64 128.25 2orl n GLU 44 Ca 0.18 -2.55 0.00 0.00 -0.01 0.00 0.00 57.16 54.78 2orl n GLU 44 Cb 0.34 -3.37 0.00 0.00 -1.01 0.00 0.00 31.44 27.40 2orl n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2orl n GLY 45 N 5.01 0.95 3.09 0.62 0.00 -1.26 -5.07 105.19 108.54 2orl n GLY 45 Ca 0.49 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 2orl n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2orl s TYR 46 N -0.95 -0.18 -0.03 1.61 6.14 -1.18 -4.89 117.35 117.85 2orl s TYR 46 Ca 0.00 0.44 -0.13 0.00 0.64 0.00 0.00 57.07 58.03 2orl s TYR 46 Cb 0.00 0.06 -0.05 0.00 0.42 0.00 0.00 41.96 42.39 2orl s TYR 46 CO 0.00 -0.14 0.33 -1.12 0.64 0.00 0.00 175.55 175.26 2orl s SER 47 N -0.14 6.69 0.28 4.32 0.01 -1.26 -4.65 113.70 118.96 2orl s SER 47 Ca -0.02 0.83 0.08 0.00 1.31 0.00 0.00 55.95 58.14 2orl s SER 47 Cb -0.02 -2.20 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 2orl s SER 47 CO 0.01 0.35 0.19 -0.31 0.41 0.00 0.00 173.24 173.88 2orl s TYR 48 N -1.06 2.96 0.77 2.43 1.51 -1.26 -5.03 117.35 117.67 2orl s TYR 48 Ca 0.21 -0.20 -0.11 0.00 -1.01 0.00 0.00 57.07 55.96 2orl s TYR 48 Cb -0.15 -1.50 0.05 0.00 -0.11 0.00 0.00 41.96 40.25 2orl s TYR 48 CO 0.11 0.43 1.09 0.95 -1.11 0.00 0.00 175.55 177.01 2orl s THR 49 N -2.23 3.35 0.40 -0.71 -4.23 -1.26 -4.89 115.64 106.06 2orl s THR 49 Ca 0.35 0.44 0.14 0.00 -1.18 0.00 0.00 61.69 61.44 2orl s THR 49 Cb -0.07 -3.17 0.35 0.00 1.34 0.00 0.00 72.50 70.95 2orl s THR 49 CO 0.24 -0.57 1.88 -0.78 -0.54 0.00 0.00 174.62 174.86 2orl h ASP 50 N -0.99 0.50 0.56 3.99 1.82 -1.99 -2.45 116.42 117.86 2orl h ASP 50 Ca -0.46 0.03 -0.29 0.00 -0.39 0.00 0.00 57.03 55.93 2orl h ASP 50 Cb 1.25 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.19 2orl h ASP 50 CO 0.58 0.24 -1.43 0.00 -1.61 0.00 0.00 179.24 177.02 2orl h ALA 51 N 1.62 0.31 -0.24 -0.78 0.00 -1.91 -3.21 119.26 115.05 2orl h ALA 51 Ca 0.43 -1.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 2orl h ALA 51 Cb 0.88 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 2orl h ALA 51 CO -0.17 1.18 -0.51 -0.97 0.00 0.00 0.00 179.25 178.78 2orl h ASN 52 N 0.05 0.75 0.07 0.00 -0.73 -1.81 -2.95 115.58 110.96 2orl h ASN 52 Ca -0.20 -0.39 -0.00 0.00 1.87 0.00 0.00 56.30 57.58 2orl h ASN 52 Cb 1.97 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 40.35 2orl h ASN 52 CO 0.15 1.13 -0.03 0.40 -0.37 0.00 0.00 177.43 178.71 2orl h ILE 53 N 0.53 0.00 -0.36 2.57 2.04 -1.64 -2.99 117.51 117.67 2orl h ILE 53 Ca 0.02 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 65.94 2orl h ILE 53 Cb 1.08 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2orl h ILE 53 CO 0.10 0.00 0.90 0.29 0.00 0.00 0.00 178.15 179.44 2orl n LYS 54 N -2.37 0.02 0.12 2.37 5.02 -1.21 -0.92 118.16 121.18 2orl n LYS 54 Ca -0.01 0.80 -0.20 0.00 -2.02 0.00 0.00 58.31 56.88 2orl n LYS 54 Cb 0.04 -2.10 -0.15 0.00 -0.02 0.00 0.00 35.03 32.80 2orl n LYS 54 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2orl h LYS 55 N 0.00 0.40 -6.15 1.97 1.63 -1.36 -3.48 116.57 109.57 2orl h LYS 55 Ca 0.17 -0.68 -0.40 0.00 -0.85 0.00 0.00 60.65 58.88 2orl h LYS 55 Cb 1.97 0.25 -0.17 0.00 -0.60 0.00 0.00 32.23 33.68 2orl h LYS 55 CO -0.00 1.32 -0.61 0.09 -3.45 0.00 0.00 179.45 176.80 2orl n ASN 56 N -3.61 0.06 -4.73 4.20 5.03 -0.10 -4.88 115.26 111.23 2orl n ASN 56 Ca -0.13 -0.82 -0.42 0.00 0.87 0.00 0.00 54.58 54.08 2orl n ASN 56 Cb 1.07 -1.03 -0.03 0.00 -1.02 0.00 0.00 39.78 38.77 2orl n ASN 56 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2orl s VAL 57 N -3.45 2.86 -0.76 2.41 1.01 -1.26 -4.30 120.40 116.91 2orl s VAL 57 Ca 0.17 0.65 -0.27 0.00 0.00 0.00 0.00 61.98 62.53 2orl s VAL 57 Cb -0.10 -3.42 0.03 0.00 0.00 0.00 0.00 36.38 32.89 2orl s VAL 57 CO 0.65 0.07 1.31 -0.22 0.00 0.00 0.00 175.10 176.91 2orl s LEU 58 N 0.53 3.19 -0.50 3.92 2.96 -1.26 -1.12 118.68 126.40 2orl s LEU 58 Ca 0.64 -0.50 -0.28 0.00 -0.22 0.00 0.00 54.13 53.77 2orl s LEU 58 Cb -0.41 -2.56 -0.09 0.00 0.50 0.00 0.00 46.19 43.63 2orl s LEU 58 CO 0.35 -1.83 2.41 0.79 -1.32 0.00 0.00 176.35 176.75 2orl n TRP 59 N 9.43 1.42 -4.17 5.38 5.03 -0.46 -4.77 117.44 129.30 2orl n TRP 59 Ca 0.06 0.13 -0.13 0.00 3.03 0.00 0.00 57.50 60.58 2orl n TRP 59 Cb 0.49 -2.61 -0.02 0.00 -1.03 0.00 0.00 31.31 28.14 2orl n TRP 59 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 2orl n ASP 60 N 14.11 2.40 -0.08 -0.99 2.03 -1.26 -1.36 116.55 131.40 2orl n ASP 60 Ca 0.40 -1.92 -0.10 0.00 0.52 0.00 0.00 54.79 53.70 2orl n ASP 60 Cb 0.44 0.11 -0.02 0.00 -0.72 0.00 0.00 41.12 40.93 2orl n ASP 60 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2orl h GLU 61 N 0.00 0.37 0.06 -0.67 4.57 -2.01 -2.69 114.58 114.22 2orl h GLU 61 Ca -0.17 -0.04 -0.26 0.00 -1.18 0.00 0.00 59.36 57.70 2orl h GLU 61 Cb 0.54 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 2orl h GLU 61 CO 0.28 0.31 -1.41 -0.97 -1.18 0.00 0.00 179.01 176.04 2orl h ASN 62 N 0.33 0.21 -0.86 1.04 -1.24 -1.97 -3.37 115.58 109.72 2orl h ASN 62 Ca 0.10 -0.74 0.17 0.00 0.71 0.00 0.00 56.30 56.53 2orl h ASN 62 Cb 0.04 -0.07 -0.10 0.00 0.73 0.00 0.00 38.32 38.92 2orl h ASN 62 CO -0.02 1.59 0.42 -1.13 -1.29 0.00 0.00 177.43 177.01 2orl h ASN 63 N -0.55 0.48 -0.79 1.15 -0.00 -1.86 -1.25 115.58 112.75 2orl h ASN 63 Ca -0.34 0.11 -0.04 0.00 -0.00 0.00 0.00 56.30 56.03 2orl h ASN 63 Cb 1.59 0.04 -0.04 0.00 -0.00 0.00 0.00 38.32 39.92 2orl h ASN 63 CO -0.05 0.16 0.35 -0.03 -0.00 0.00 0.00 177.43 177.86 2orl h MET 64 N 0.56 1.16 -0.65 6.67 4.05 -1.67 -2.93 114.93 122.13 2orl h MET 64 Ca 0.49 -0.19 -0.03 0.00 -0.28 0.00 0.00 59.70 59.69 2orl h MET 64 Cb 0.76 -0.20 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 2orl h MET 64 CO -0.41 0.92 0.26 0.77 0.23 0.00 0.00 176.91 178.68 2orl h SER 65 N 1.14 0.86 -0.25 1.39 0.02 -1.40 -2.43 113.55 112.89 2orl h SER 65 Ca 0.27 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.17 2orl h SER 65 Cb 0.16 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 62.41 2orl h SER 65 CO -0.03 0.77 -0.29 -0.33 -1.14 0.00 0.00 176.83 175.81 2orl h GLU 66 N 0.93 -0.28 -0.55 3.45 5.08 -1.26 -2.16 114.58 119.79 2orl h GLU 66 Ca 0.22 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2orl h GLU 66 Cb 0.17 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2orl h GLU 66 CO -0.02 -0.19 0.08 -0.92 -1.00 0.00 0.00 179.01 176.96 2orl h TYR 67 N -0.29 0.98 -0.89 4.33 3.20 -1.57 -3.20 116.97 119.53 2orl h TYR 67 Ca 0.13 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2orl h TYR 67 Cb 0.51 -0.27 -0.04 0.00 1.54 0.00 0.00 36.73 38.47 2orl h TYR 67 CO -0.43 0.87 0.54 -0.07 -1.64 0.00 0.00 178.16 177.42 2orl h LEU 68 N 0.81 1.06 -1.52 2.82 3.38 -1.02 -0.35 115.31 120.49 2orl h LEU 68 Ca 0.17 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2orl h LEU 68 Cb 0.42 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2orl h LEU 68 CO 0.01 0.82 -0.23 0.74 0.09 0.00 0.00 178.44 179.87 2orl h THR 69 N 1.22 1.17 -0.95 0.22 2.02 -1.40 -2.52 112.91 112.67 2orl h THR 69 Ca 0.32 -0.80 -0.10 0.00 0.77 0.00 0.00 66.41 66.60 2orl h THR 69 Cb -0.05 1.42 -0.17 0.00 -1.74 0.00 0.00 68.15 67.60 2orl h THR 69 CO -0.06 0.23 -0.45 0.21 0.37 0.00 0.00 175.52 175.82 2orl s ASN 70 N -6.98 -1.43 0.46 4.18 3.84 -1.03 -4.16 114.94 109.82 2orl s ASN 70 Ca -0.04 -1.21 0.14 0.00 0.21 0.00 0.00 52.86 51.96 2orl s ASN 70 Cb 0.15 1.85 1.05 0.00 -0.55 0.00 0.00 41.25 43.75 2orl s ASN 70 CO 0.71 -0.10 2.04 1.55 -2.79 0.00 0.00 177.10 178.50 2orl h PRO 71 N 5.92 0.06 -0.19 0.43 0.13 -1.28 -2.31 132.00 134.76 2orl h PRO 71 Ca 0.05 -0.01 -0.17 0.00 -0.87 0.00 0.00 66.00 65.00 2orl h PRO 71 Cb 1.15 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2orl h PRO 71 CO 0.05 0.16 -0.58 0.87 -0.23 0.00 0.00 178.00 178.27 2orl h LYS 72 N 0.06 0.59 0.21 0.86 6.56 -1.81 -2.24 116.57 120.81 2orl h LYS 72 Ca 0.01 -0.39 -0.32 0.00 -1.06 0.00 0.00 60.65 58.89 2orl h LYS 72 Cb 0.21 0.05 0.03 0.00 -0.57 0.00 0.00 32.23 31.95 2orl h LYS 72 CO 0.01 1.00 -1.41 -0.22 -2.06 0.00 0.00 179.45 176.78 2orl h LYS 73 N 0.45 0.52 -0.27 3.15 1.63 -1.88 -3.19 116.57 116.98 2orl h LYS 73 Ca 0.00 -0.85 -0.17 0.00 -0.85 0.00 0.00 60.65 58.79 2orl h LYS 73 Cb 1.14 0.31 0.00 0.00 -0.60 0.00 0.00 32.23 33.08 2orl h LYS 73 CO 0.11 1.40 -0.49 -0.92 -3.45 0.00 0.00 179.45 176.10 2orl h TYR 74 N 0.16 1.01 -3.04 1.91 3.20 -1.51 -3.39 116.97 115.31 2orl h TYR 74 Ca -0.23 -0.36 -0.62 0.00 3.14 0.00 0.00 58.73 60.67 2orl h TYR 74 Cb 2.10 -0.19 -0.40 0.00 1.54 0.00 0.00 36.73 39.78 2orl h TYR 74 CO 0.12 1.17 -0.72 0.42 -1.64 0.00 0.00 178.16 177.50 2orl s ILE 75 N -4.13 1.59 -0.56 1.81 1.01 -0.84 -5.09 121.20 114.98 2orl s ILE 75 Ca -0.11 -2.69 -0.26 0.00 0.00 0.00 0.00 60.65 57.58 2orl s ILE 75 Cb 0.09 -2.11 -0.03 0.00 0.01 0.00 0.00 42.46 40.42 2orl s ILE 75 CO 0.87 -0.89 2.00 -2.16 0.00 0.00 0.00 174.94 174.77 2orl s PRO 76 N 0.23 2.53 0.00 2.79 0.04 -1.20 -2.33 135.00 137.05 2orl s PRO 76 Ca 0.18 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.09 2orl s PRO 76 Cb -0.24 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 29.87 2orl s PRO 76 CO -0.00 -2.82 0.00 0.41 0.04 0.00 0.00 177.00 174.63 2orl n GLY 77 N 5.76 1.02 3.77 0.56 0.00 -1.26 -4.81 105.19 110.23 2orl n GLY 77 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 2orl n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2orl s THR 78 N -1.60 2.95 0.16 2.61 -1.32 -0.99 -4.91 115.64 112.54 2orl s THR 78 Ca 0.00 0.79 0.33 0.00 -1.21 0.00 0.00 61.69 61.61 2orl s THR 78 Cb 0.00 -3.44 0.37 0.00 -1.51 0.00 0.00 72.50 67.92 2orl s THR 78 CO 0.00 0.07 2.00 0.11 -2.21 0.00 0.00 174.62 174.59 2orl h LYS 79 N 2.52 0.00 -6.13 7.08 1.57 -1.97 -3.43 116.57 116.22 2orl h LYS 79 Ca -0.49 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.76 2orl h LYS 79 Cb 1.24 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.52 2orl h LYS 79 CO 0.62 0.03 1.31 1.41 -0.57 0.00 0.00 179.45 182.25 2orl s MET 80 N -3.72 2.96 -0.23 3.15 1.75 -1.26 -4.84 119.30 117.11 2orl s MET 80 Ca 0.00 0.97 0.13 0.00 -1.25 0.00 0.00 55.69 55.54 2orl s MET 80 Cb 0.10 -4.29 0.52 0.00 2.84 0.00 0.00 34.83 34.00 2orl s MET 80 CO 0.55 -2.32 1.45 0.00 -0.65 0.00 0.00 175.02 174.06 2orl n ALA 81 N 11.56 3.61 -0.35 4.11 0.00 -1.26 -4.58 120.51 133.61 2orl n ALA 81 Ca 0.21 -2.67 0.37 0.00 0.00 0.00 0.00 53.44 51.35 2orl n ALA 81 Cb 0.50 -0.75 0.74 0.00 0.00 0.00 0.00 19.45 19.94 2orl n ALA 81 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2orl h PHE 82 N 1.41 0.00 0.00 0.00 3.57 -1.95 -3.46 116.94 116.51 2orl h PHE 82 Ca 0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2orl h PHE 82 Cb 1.58 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.32 2orl h PHE 82 CO 0.74 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 177.23 2orl n GLY 83 N -1.77 3.16 0.45 2.40 0.00 -1.26 -4.98 105.19 103.18 2orl n GLY 83 Ca 0.27 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2orl n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2orl n GLY 84 N 0.00 -0.82 3.56 -0.02 0.00 -1.25 -4.89 105.19 101.77 2orl n GLY 84 Ca 0.00 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 2orl n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2orl s LEU 85 N 0.00 3.41 0.00 0.99 1.43 -0.95 -4.83 118.68 118.73 2orl s LEU 85 Ca 0.00 -1.17 0.15 0.00 -1.03 0.00 0.00 54.13 52.08 2orl s LEU 85 Cb 0.00 -2.57 0.66 0.00 0.03 0.00 0.00 46.19 44.32 2orl s LEU 85 CO 0.00 -1.71 1.47 0.29 0.23 0.00 0.00 176.35 176.63 2orl n LYS 86 N 8.97 0.04 -3.43 1.70 4.76 -1.26 -4.35 118.16 124.60 2orl n LYS 86 Ca 0.28 0.22 -0.41 0.00 -2.87 0.00 0.00 58.31 55.54 2orl n LYS 86 Cb 0.50 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 32.10 2orl n LYS 86 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2orl s LYS 87 N -2.92 3.43 0.16 1.97 1.02 -1.26 -5.00 119.74 117.14 2orl s LYS 87 Ca 0.09 -0.57 -0.16 0.00 0.02 0.00 0.00 55.97 55.34 2orl s LYS 87 Cb 0.10 -3.84 0.03 0.00 -0.52 0.00 0.00 37.83 33.59 2orl s LYS 87 CO 0.26 -0.57 1.80 0.93 -0.92 0.00 0.00 175.35 176.86 2orl h GLU 88 N 8.52 0.49 -0.74 1.68 5.08 -1.98 -2.85 114.58 124.78 2orl h GLU 88 Ca -0.29 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.14 2orl h GLU 88 Cb 1.14 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 30.20 2orl h GLU 88 CO 0.70 0.32 0.36 0.87 -1.00 0.00 0.00 179.01 180.26 2orl h LYS 89 N 0.50 0.58 -0.24 2.33 1.79 -1.94 0.33 116.57 119.92 2orl h LYS 89 Ca 0.15 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.61 2orl h LYS 89 Cb -0.02 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.48 2orl h LYS 89 CO -0.06 0.38 0.12 -0.44 -1.08 0.00 0.00 179.45 178.37 2orl h ASP 90 N 0.60 0.17 0.12 0.86 5.19 -1.95 -2.88 116.42 118.54 2orl h ASP 90 Ca 0.37 0.01 -0.16 0.00 -0.62 0.00 0.00 57.03 56.63 2orl h ASP 90 Cb 0.42 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2orl h ASP 90 CO -0.29 0.13 -0.58 0.03 -3.12 0.00 0.00 179.24 175.41 2orl h ARG 91 N 0.25 0.47 -0.79 3.56 3.08 -1.18 -3.20 114.38 116.58 2orl h ARG 91 Ca 0.10 -0.31 0.10 0.00 0.07 0.00 0.00 59.98 59.93 2orl h ARG 91 Cb 0.03 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.00 2orl h ARG 91 CO -0.07 0.92 -0.49 -0.91 -1.07 0.00 0.00 179.97 178.35 2orl h ASN 92 N 0.36 -1.75 -0.39 7.04 2.35 -0.72 0.92 115.58 123.39 2orl h ASN 92 Ca 0.00 0.29 -0.11 0.00 -0.55 0.00 0.00 56.30 55.93 2orl h ASN 92 Cb 1.12 0.80 -0.02 0.00 0.05 0.00 0.00 38.32 40.27 2orl h ASN 92 CO 0.10 -0.30 -0.15 -0.78 -1.65 0.00 0.00 177.43 174.65 2orl h ASP 93 N -0.12 0.87 -0.96 5.81 1.82 -1.66 -3.10 116.42 119.07 2orl h ASP 93 Ca 0.20 -0.29 0.08 0.00 -0.39 0.00 0.00 57.03 56.63 2orl h ASP 93 Cb 0.52 -0.24 -0.07 0.00 0.68 0.00 0.00 39.33 40.23 2orl h ASP 93 CO -0.83 1.02 0.62 -0.07 -1.61 0.00 0.00 179.24 178.37 2orl h LEU 94 N 0.77 0.95 -0.06 2.28 3.38 -1.08 -2.69 115.31 118.86 2orl h LEU 94 Ca 0.12 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2orl h LEU 94 Cb 0.67 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2orl h LEU 94 CO 0.05 0.59 0.02 0.40 0.09 0.00 0.00 178.44 179.59 2orl h ILE 95 N 1.07 1.17 -0.90 1.22 2.04 -0.83 -2.78 117.51 118.50 2orl h ILE 95 Ca 0.43 -0.50 0.16 0.00 1.00 0.00 0.00 64.86 65.95 2orl h ILE 95 Cb 0.26 1.39 -0.10 0.00 -0.74 0.00 0.00 36.82 37.63 2orl h ILE 95 CO -0.18 0.14 0.49 0.74 0.00 0.00 0.00 178.15 179.34 2orl h THR 96 N -0.09 0.72 0.29 -0.27 2.02 -1.47 0.36 112.91 114.46 2orl h THR 96 Ca 0.02 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 2orl h THR 96 Cb 0.20 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 2orl h THR 96 CO -0.00 0.12 -0.14 0.22 0.37 0.00 0.00 175.52 176.09 2orl h TYR 97 N 0.67 -0.36 0.00 3.16 3.20 -1.38 -1.13 116.97 121.13 2orl h TYR 97 Ca 0.50 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.36 2orl h TYR 97 Cb 0.73 0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.11 2orl h TYR 97 CO -0.07 -0.05 -0.00 1.25 -1.64 0.00 0.00 178.16 177.65 2orl h LEU 98 N -0.67 -0.00 -0.87 2.82 5.85 -1.16 -2.58 115.31 118.70 2orl h LEU 98 Ca -0.04 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.81 2orl h LEU 98 Cb 0.47 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.41 2orl h LEU 98 CO 0.06 0.02 0.46 0.50 -0.34 0.00 0.00 178.44 179.14 2orl h LYS 99 N -0.02 0.65 -0.07 1.25 3.64 -0.36 -1.15 116.57 120.51 2orl h LYS 99 Ca -0.00 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 2orl h LYS 99 Cb 0.02 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2orl h LYS 99 CO 0.00 0.43 -0.41 -0.22 -2.27 0.00 0.00 179.45 176.98 2orl h LYS 100 N 0.67 0.15 0.10 1.90 1.63 -0.88 -1.32 116.57 118.82 2orl h LYS 100 Ca 0.47 -0.07 -0.27 0.00 -0.85 0.00 0.00 60.65 59.93 2orl h LYS 100 Cb 0.64 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.27 2orl h LYS 100 CO -0.35 0.53 -1.18 0.00 -3.45 0.00 0.00 179.45 175.01 2orl h ALA 101 N 1.46 0.15 0.24 5.00 0.00 -1.03 -3.34 119.26 121.73 2orl h ALA 101 Ca 0.01 -0.84 -0.32 0.00 0.00 0.00 0.00 54.91 53.77 2orl h ALA 101 Cb 0.78 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.61 2orl h ALA 101 CO 0.06 0.91 -1.41 1.15 0.00 0.00 0.00 179.25 179.96 2orl h THR 102 N 0.12 1.29 0.00 0.00 2.02 -1.17 -3.44 112.91 111.73 2orl h THR 102 Ca -0.13 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.39 2orl h THR 102 Cb 1.88 3.05 0.00 0.00 -1.74 0.00 0.00 68.15 71.34 2orl h THR 102 CO 0.20 0.80 0.00 -1.84 0.37 0.00 0.00 175.52 175.05