#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 1.37 -2.36 -2.82 0.00 -1.26 -5.10 120.64 110.47 2orl n GLU -4 Ca 0.00 -3.69 -0.43 0.00 0.00 0.00 0.00 57.16 53.04 2orl n GLU -4 Cb 0.00 -1.64 -0.02 0.00 0.00 0.00 0.00 31.44 29.77 2orl n GLU -4 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 2orl s PHE -3 N -2.01 2.66 -0.18 4.31 5.36 -1.26 -4.85 117.98 122.01 2orl s PHE -3 Ca 0.39 0.86 -0.03 0.00 -0.96 0.00 0.00 56.93 57.19 2orl s PHE -3 Cb 0.23 -3.71 -0.01 0.00 -0.34 0.00 0.00 43.02 39.19 2orl s PHE -3 CO -0.09 -1.98 -0.07 0.15 -1.46 0.00 0.00 175.22 171.77 2orl s LYS -2 N 3.86 3.43 0.42 10.12 1.02 -1.26 -5.10 119.74 132.24 2orl s LYS -2 Ca 0.58 -0.63 -0.26 0.00 0.02 0.00 0.00 55.97 55.69 2orl s LYS -2 Cb -0.21 -2.86 -0.10 0.00 -0.52 0.00 0.00 37.83 34.14 2orl s LYS -2 CO 0.20 0.02 1.28 0.00 -0.92 0.00 0.00 175.35 175.93 2orl n ALA -1 N 4.14 1.35 -2.71 5.17 0.00 -1.26 -4.14 120.51 123.05 2orl n ALA -1 Ca -0.18 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2orl n ALA -1 Cb 0.52 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 0.79 4.22 3.50 0.00 0.00 -1.26 -4.84 105.19 107.60 2orl n GLY 1 Ca 0.06 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 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 0.43 -0.61 0.37 1.61 0.01 -1.26 -4.99 113.70 109.25 2orl s SER 2 Ca 0.00 1.06 0.14 0.00 1.31 0.00 0.00 55.95 58.46 2orl s SER 2 Cb 0.00 1.05 0.97 0.00 0.21 0.00 0.00 66.02 68.25 2orl s SER 2 CO 0.00 -0.30 1.81 0.00 0.41 0.00 0.00 173.24 175.15 2orl h ALA 3 N 4.67 2.03 0.00 1.44 0.00 -1.89 -1.51 119.26 124.00 2orl h ALA 3 Ca -0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2orl h ALA 3 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2orl h ALA 3 CO 0.19 -0.37 0.00 1.17 0.00 0.00 0.00 179.25 180.23 2orl n LYS 4 N -4.62 0.71 -0.01 0.00 4.81 -1.26 -2.69 118.16 115.10 2orl n LYS 4 Ca 0.22 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.62 2orl n LYS 4 Cb 0.70 -1.36 -0.01 0.00 0.02 0.00 0.00 35.03 34.38 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 -0.86 0.09 0.10 1.64 5.02 -0.59 -4.61 118.16 118.95 2orl n LYS 5 Ca 0.12 0.04 0.09 0.00 -2.02 0.00 0.00 58.31 56.54 2orl n LYS 5 Cb 0.06 -0.65 0.56 0.00 -0.02 0.00 0.00 35.03 34.98 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 -0.15 0.25 0.98 0.72 0.00 -1.60 -2.80 103.07 100.48 2orl h GLY 6 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2orl h GLY 6 CO -0.05 0.07 0.04 0.00 0.00 0.00 0.00 176.54 176.60 2orl h ALA 7 N 1.85 0.08 -0.93 3.60 0.00 -1.78 -1.87 119.26 120.21 2orl h ALA 7 Ca 0.12 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2orl h ALA 7 Cb 0.20 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 2orl h ALA 7 CO -0.02 -0.42 0.60 1.79 0.00 0.00 0.00 179.25 181.20 2orl h THR 8 N 0.07 0.99 0.59 0.00 1.35 -1.75 -0.63 112.91 113.52 2orl h THR 8 Ca 0.02 -0.33 -0.03 0.00 -0.55 0.00 0.00 66.41 65.53 2orl h THR 8 Cb 0.01 -0.06 0.01 0.00 -1.73 0.00 0.00 68.15 66.38 2orl h THR 8 CO -0.00 0.18 -0.28 -0.07 -0.25 0.00 0.00 175.52 175.09 2orl h LEU 9 N 0.96 -0.67 -1.30 3.87 3.38 -1.55 -3.20 115.31 116.81 2orl h LEU 9 Ca 0.43 0.02 0.21 0.00 0.09 0.00 0.00 57.88 58.63 2orl h LEU 9 Cb 0.37 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 2orl h LEU 9 CO -0.19 -0.30 0.62 0.15 0.09 0.00 0.00 178.44 178.81 2orl h PHE 10 N -1.14 0.76 -0.08 1.13 3.04 -1.28 -1.95 116.94 117.41 2orl h PHE 10 Ca -0.08 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.92 2orl h PHE 10 Cb 0.60 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.88 2orl h PHE 10 CO 0.01 0.16 0.08 -0.22 -2.02 0.00 0.00 178.31 176.33 2orl h LYS 11 N 0.54 0.00 0.00 1.11 1.63 -1.10 0.13 116.57 118.88 2orl h LYS 11 Ca 0.54 0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 60.22 2orl h LYS 11 Cb 1.14 0.00 -0.26 0.00 -0.60 0.00 0.00 32.23 32.52 2orl h LYS 11 CO -0.27 0.00 -0.84 -2.37 -3.45 0.00 0.00 179.45 172.52 2orl n THR 12 N -3.94 0.57 0.00 1.00 5.66 -0.83 -4.37 114.28 112.38 2orl n THR 12 Ca -0.01 -1.48 0.00 0.00 -3.05 0.00 0.00 64.05 59.51 2orl n THR 12 Cb 0.18 0.63 0.00 0.00 -1.55 0.00 0.00 70.33 69.60 2orl n THR 12 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2orl n ARG 13 N 0.02 0.43 0.00 1.09 5.12 -0.80 -4.96 116.66 117.57 2orl n ARG 13 Ca 0.09 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.01 2orl n ARG 13 Cb 0.99 -0.56 0.00 0.00 -1.16 0.00 0.00 32.46 31.73 2orl n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2orl h LEU 15 N 0.00 0.72 -1.25 0.00 5.85 -1.04 -1.76 115.31 117.84 2orl h LEU 15 Ca 0.00 0.12 0.46 0.00 0.84 0.00 0.00 57.88 59.30 2orl h LEU 15 Cb 0.49 -0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.37 2orl h LEU 15 CO 0.00 0.18 0.76 0.00 -0.34 0.00 0.00 178.44 179.04 2orl n GLN 16 N -4.83 -0.04 0.00 1.25 10.64 -1.26 -3.29 117.38 119.85 2orl n GLN 16 Ca 0.25 1.31 0.00 0.00 -1.83 0.00 0.00 57.00 56.73 2orl n GLN 16 Cb 0.67 -2.49 0.00 0.00 -0.86 0.00 0.00 30.24 27.57 2orl n GLN 16 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2orl n HIS 18 N -1.99 -2.92 -4.04 0.00 8.25 -0.69 -0.72 115.22 113.10 2orl n HIS 18 Ca 0.00 -1.81 -0.23 0.00 -0.26 0.00 0.00 57.72 55.41 2orl n HIS 18 Cb 0.40 -0.75 -0.17 0.00 1.12 0.00 0.00 29.99 30.59 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 -3.18 0.70 0.11 1.59 -4.23 -1.25 -4.56 115.64 104.82 2orl s THR 19 Ca 0.68 -0.15 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 2orl s THR 19 Cb -0.04 -0.75 -0.22 0.00 1.34 0.00 0.00 72.50 72.83 2orl s THR 19 CO 0.45 0.29 1.25 1.62 -0.54 0.00 0.00 174.62 177.69 2orl h VAL 20 N 6.18 1.46 -4.80 2.29 3.04 -1.96 -2.40 116.25 120.06 2orl h VAL 20 Ca -0.30 -2.76 -0.23 0.00 -1.01 0.00 0.00 66.70 62.40 2orl h VAL 20 Cb 1.14 2.66 -0.02 0.00 -2.01 0.00 0.00 31.29 33.07 2orl h VAL 20 CO 0.39 0.81 -0.10 -1.84 -1.01 0.00 0.00 177.57 175.82 2orl n GLU 21 N -3.63 1.12 -0.59 4.17 -0.00 -1.26 -3.79 120.64 116.65 2orl n GLU 21 Ca -0.07 -1.41 0.08 0.00 -0.00 0.00 0.00 57.16 55.77 2orl n GLU 21 Cb 0.91 0.12 0.33 0.00 -0.00 0.00 0.00 31.44 32.81 2orl n GLU 21 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2orl n LYS 22 N -1.09 3.74 0.00 3.44 5.02 -1.26 -4.46 118.16 123.54 2orl n LYS 22 Ca -0.00 -2.85 0.04 0.00 -2.02 0.00 0.00 58.31 53.48 2orl n LYS 22 Cb 0.26 -1.89 -0.11 0.00 -0.02 0.00 0.00 35.03 33.26 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 0.65 -1.14 3.71 0.72 0.00 -1.26 -4.91 105.19 102.96 2orl n GLY 23 Ca 0.24 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.76 2.64 0.82 -0.02 0.00 -1.26 -5.05 107.32 99.68 2orl s GLY 24 Ca -0.06 0.28 -0.12 0.00 0.00 0.00 0.00 44.72 44.82 2orl s GLY 24 CO 0.85 1.48 1.17 2.56 0.00 0.00 0.00 173.10 179.16 2orl s PRO 25 N 1.14 1.65 -0.06 2.90 0.04 -1.26 -4.87 135.00 134.53 2orl s PRO 25 Ca 0.43 1.63 -0.30 0.00 0.04 0.00 0.00 61.00 62.80 2orl s PRO 25 Cb -0.19 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.48 2orl s PRO 25 CO 0.21 -2.18 2.04 0.72 0.04 0.00 0.00 177.00 177.83 2orl n HIS 26 N -3.46 2.32 -0.05 0.56 8.25 -1.26 -4.91 115.22 116.67 2orl n HIS 26 Ca 0.12 -0.25 0.00 0.00 -0.26 0.00 0.00 57.72 57.33 2orl n HIS 26 Cb 0.51 -2.76 0.00 0.00 1.12 0.00 0.00 29.99 28.86 2orl n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2orl n LYS 27 N 7.79 3.18 0.28 -0.41 4.81 -1.26 -4.92 118.16 127.62 2orl n LYS 27 Ca 0.24 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.81 2orl n LYS 27 Cb 0.40 0.00 0.82 0.00 0.02 0.00 0.00 35.03 36.27 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 0.56 -3.13 3.15 2.07 -1.78 -3.43 116.25 113.70 2orl h VAL 28 Ca 0.00 -0.25 -0.51 0.00 0.82 0.00 0.00 66.70 66.75 2orl h VAL 28 Cb 0.00 1.16 -0.17 0.00 -1.52 0.00 0.00 31.29 30.76 2orl h VAL 28 CO 0.00 0.06 -0.77 -0.83 0.02 0.00 0.00 177.57 176.05 2orl s GLY 29 N -4.15 1.44 1.02 2.17 0.00 0.10 -4.96 107.32 102.94 2orl s GLY 29 Ca -0.04 -1.56 -0.12 0.00 0.00 0.00 0.00 44.72 43.00 2orl s GLY 29 CO 0.57 -1.62 1.09 2.56 0.00 0.00 0.00 173.10 175.69 2orl s PRO 30 N -3.03 0.27 -0.07 2.90 0.04 -1.26 -4.45 135.00 129.40 2orl s PRO 30 Ca 0.18 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.48 2orl s PRO 30 Cb -0.05 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.75 2orl s PRO 30 CO 0.07 -2.85 1.20 1.21 0.04 0.00 0.00 177.00 176.68 2orl s ASN 31 N -3.35 7.04 0.10 6.66 3.84 -1.26 -3.96 114.94 124.01 2orl s ASN 31 Ca 0.66 1.79 0.24 0.00 0.21 0.00 0.00 52.86 55.76 2orl s ASN 31 Cb -0.19 -2.56 0.33 0.00 -0.55 0.00 0.00 41.25 38.29 2orl s ASN 31 CO 0.58 -0.60 1.30 0.18 -2.79 0.00 0.00 177.10 175.77 2orl n LEU 32 N 5.37 0.67 -4.56 3.21 4.77 -0.90 -4.84 117.00 120.73 2orl n LEU 32 Ca 0.11 0.19 -0.22 0.00 -0.03 0.00 0.00 56.01 56.06 2orl n LEU 32 Cb 0.46 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 2orl n LEU 32 CO 0.55 -0.03 1.34 -2.28 -1.33 0.00 0.00 177.39 175.64 2orl s HIS 33 N -3.16 1.46 0.00 -1.77 2.46 -1.25 -2.14 115.29 110.90 2orl s HIS 33 Ca 0.06 1.28 0.00 0.00 0.47 0.00 0.00 55.06 56.88 2orl s HIS 33 Cb 0.14 -3.76 0.00 0.00 -0.13 0.00 0.00 32.58 28.83 2orl s HIS 33 CO 0.73 -1.75 0.00 0.41 -2.47 0.00 0.00 174.74 171.65 2orl n GLY 34 N 6.71 1.62 0.31 1.59 0.00 -1.26 -4.94 105.19 109.23 2orl n GLY 34 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.42 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 1.22 -1.70 -0.61 3.07 -1.76 -3.40 117.51 114.33 2orl h ILE 35 Ca 0.00 -0.72 -0.50 0.00 1.55 0.00 0.00 64.86 65.18 2orl h ILE 35 Cb 0.00 0.59 0.01 0.00 -0.27 0.00 0.00 36.82 37.14 2orl h ILE 35 CO 0.00 0.28 1.60 0.49 -1.05 0.00 0.00 178.15 179.46 2orl n PHE 36 N -4.30 1.59 0.00 0.16 3.72 -1.26 -0.52 117.46 116.85 2orl n PHE 36 Ca 0.04 0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2orl n PHE 36 Cb 0.19 -2.66 0.00 0.00 -0.94 0.00 0.00 39.48 36.07 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 5.95 0.68 4.00 1.37 0.00 0.30 -5.02 105.19 112.47 2orl n GLY 37 Ca 0.35 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.18 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 2.49 0.18 1.61 0.52 0.32 -4.86 118.95 118.63 2orl s ARG 38 Ca 0.00 -1.16 0.06 0.00 -0.52 0.00 0.00 55.73 54.12 2orl s ARG 38 Cb 0.00 -2.60 -0.04 0.00 0.52 0.00 0.00 34.95 32.83 2orl s ARG 38 CO 0.00 -0.67 0.08 -1.01 0.02 0.00 0.00 175.30 173.72 2orl s HIS 39 N -2.64 3.01 -0.12 -0.53 3.76 -1.25 -0.89 115.29 116.63 2orl s HIS 39 Ca 0.58 -0.08 -0.34 0.00 -0.15 0.00 0.00 55.06 55.08 2orl s HIS 39 Cb -0.09 -1.44 -0.11 0.00 1.11 0.00 0.00 32.58 32.05 2orl s HIS 39 CO 0.37 0.52 1.92 0.43 -0.85 0.00 0.00 174.74 177.13 2orl n SER 40 N -0.33 3.35 -0.09 1.40 7.64 0.27 -3.03 113.62 122.83 2orl n SER 40 Ca -0.09 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.70 2orl n SER 40 Cb 0.55 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.38 2orl n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2orl n GLY 41 N 4.60 0.99 1.21 0.23 0.00 -1.26 -3.96 105.19 107.00 2orl n GLY 41 Ca 0.24 -0.12 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.09 2.36 -2.24 1.61 6.02 -1.17 -4.97 117.38 118.91 2orl n GLN 42 Ca 0.00 -3.05 -0.42 0.00 -0.01 0.00 0.00 57.00 53.52 2orl n GLN 42 Cb 0.09 -1.88 -0.03 0.00 1.02 0.00 0.00 30.24 29.44 2orl n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2orl s ALA 43 N -3.09 3.54 -1.00 -1.58 0.00 -1.26 -4.93 121.76 113.43 2orl s ALA 43 Ca 0.45 1.03 -0.23 0.00 0.00 0.00 0.00 51.96 53.22 2orl s ALA 43 Cb 0.39 -3.52 -0.12 0.00 0.00 0.00 0.00 23.12 19.88 2orl s ALA 43 CO 0.05 -0.58 1.92 0.39 0.00 0.00 0.00 175.76 177.54 2orl n GLU 44 N 4.04 1.55 0.00 0.00 4.71 -1.26 -3.26 120.64 126.42 2orl n GLU 44 Ca 0.11 -2.21 0.00 0.00 -0.01 0.00 0.00 57.16 55.05 2orl n GLU 44 Cb 0.43 -3.39 0.00 0.00 -1.01 0.00 0.00 31.44 27.48 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 5.27 2.14 3.84 0.62 0.00 -1.26 -5.04 105.19 110.76 2orl n GLY 45 Ca 0.47 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.96 3.68 0.05 1.61 6.14 -1.20 -5.10 117.35 120.57 2orl s TYR 46 Ca 0.00 0.96 -0.09 0.00 0.64 0.00 0.00 57.07 58.58 2orl s TYR 46 Cb 0.00 -2.27 -0.05 0.00 0.42 0.00 0.00 41.96 40.05 2orl s TYR 46 CO 0.00 0.58 0.37 -1.12 0.64 0.00 0.00 175.55 176.02 2orl s SER 47 N -1.34 6.62 0.31 4.32 0.01 -1.26 -4.54 113.70 117.82 2orl s SER 47 Ca 0.28 0.75 0.09 0.00 1.31 0.00 0.00 55.95 58.37 2orl s SER 47 Cb -0.16 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 2orl s SER 47 CO 0.16 0.21 0.09 -0.31 0.41 0.00 0.00 173.24 173.79 2orl s TYR 48 N -1.34 2.72 0.79 2.43 1.51 -1.26 -5.03 117.35 117.18 2orl s TYR 48 Ca 0.31 -0.31 -0.11 0.00 -1.01 0.00 0.00 57.07 55.94 2orl s TYR 48 Cb -0.14 -1.47 0.07 0.00 -0.11 0.00 0.00 41.96 40.31 2orl s TYR 48 CO 0.17 0.45 1.09 0.95 -1.11 0.00 0.00 175.55 177.10 2orl s THR 49 N -2.38 3.23 0.43 -0.71 -4.23 -1.26 -4.87 115.64 105.85 2orl s THR 49 Ca 0.35 0.40 0.18 0.00 -1.18 0.00 0.00 61.69 61.44 2orl s THR 49 Cb -0.04 -3.04 0.37 0.00 1.34 0.00 0.00 72.50 71.13 2orl s THR 49 CO 0.22 -0.52 1.90 -0.78 -0.54 0.00 0.00 174.62 174.89 2orl h ASP 50 N -1.12 0.36 0.55 3.99 3.58 -1.97 -2.34 116.42 119.47 2orl h ASP 50 Ca -0.46 0.03 -0.29 0.00 0.42 0.00 0.00 57.03 56.73 2orl h ASP 50 Cb 1.25 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.24 2orl h ASP 50 CO 0.56 0.17 -1.49 0.00 -2.88 0.00 0.00 179.24 175.60 2orl h ALA 51 N 1.63 0.39 -0.18 -0.78 0.00 -1.89 -3.30 119.26 115.13 2orl h ALA 51 Ca 0.41 -1.16 -0.20 0.00 0.00 0.00 0.00 54.91 53.96 2orl h ALA 51 Cb 1.03 0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2orl h ALA 51 CO -0.13 1.26 -0.68 -0.97 0.00 0.00 0.00 179.25 178.72 2orl h ASN 52 N 0.04 0.85 0.31 0.00 -0.73 -1.79 -3.08 115.58 111.18 2orl h ASN 52 Ca -0.22 -0.52 -0.01 0.00 1.87 0.00 0.00 56.30 57.42 2orl h ASN 52 Cb 1.97 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 40.32 2orl h ASN 52 CO 0.14 1.30 -0.15 0.40 -0.37 0.00 0.00 177.43 178.75 2orl h ILE 53 N 0.53 0.00 -0.29 2.57 2.04 -1.67 -2.51 117.51 118.18 2orl h ILE 53 Ca -0.02 -0.10 0.08 0.00 1.00 0.00 0.00 64.86 65.82 2orl h ILE 53 Cb 1.29 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2orl h ILE 53 CO 0.14 0.00 1.02 0.29 0.00 0.00 0.00 178.15 179.60 2orl n LYS 54 N -3.37 0.02 0.11 2.37 5.02 -1.24 -1.31 118.16 119.76 2orl n LYS 54 Ca -0.05 0.93 -0.19 0.00 -2.02 0.00 0.00 58.31 56.98 2orl n LYS 54 Cb 0.16 -2.46 -0.15 0.00 -0.02 0.00 0.00 35.03 32.57 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 0.36 -5.21 1.97 1.63 -1.35 -3.48 116.57 110.50 2orl h LYS 55 Ca 0.14 -0.62 -0.22 0.00 -0.85 0.00 0.00 60.65 59.10 2orl h LYS 55 Cb 2.18 0.23 -0.10 0.00 -0.60 0.00 0.00 32.23 33.94 2orl h LYS 55 CO -0.00 1.28 -0.33 0.09 -3.45 0.00 0.00 179.45 177.03 2orl n ASN 56 N -3.58 -0.08 -4.77 4.20 3.02 -0.43 -4.85 115.26 108.77 2orl n ASN 56 Ca -0.14 -0.45 -0.39 0.00 -0.03 0.00 0.00 54.58 53.57 2orl n ASN 56 Cb 1.06 -0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 2orl n ASN 56 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2orl s VAL 57 N -2.77 3.29 -0.69 2.41 0.11 -1.26 -4.23 120.40 117.26 2orl s VAL 57 Ca 0.13 1.19 -0.23 0.00 -2.93 0.00 0.00 61.98 60.14 2orl s VAL 57 Cb -0.07 -3.72 0.07 0.00 -1.53 0.00 0.00 36.38 31.12 2orl s VAL 57 CO 0.36 0.21 1.03 -0.22 -3.33 0.00 0.00 175.10 173.14 2orl s LEU 58 N -1.95 4.20 -0.14 2.54 0.20 -1.26 -0.56 118.68 121.71 2orl s LEU 58 Ca 0.50 -0.95 -0.31 0.00 0.69 0.00 0.00 54.13 54.07 2orl s LEU 58 Cb -0.32 -2.44 -0.08 0.00 -0.43 0.00 0.00 46.19 42.92 2orl s LEU 58 CO 0.41 -1.49 2.10 0.79 -0.29 0.00 0.00 176.35 177.86 2orl n TRP 59 N 7.95 2.13 -4.35 5.38 5.03 -0.07 -4.86 117.44 128.64 2orl n TRP 59 Ca -0.01 -0.13 -0.16 0.00 3.03 0.00 0.00 57.50 60.23 2orl n TRP 59 Cb 0.46 -2.71 -0.03 0.00 -1.03 0.00 0.00 31.31 27.99 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 9.49 2.33 0.00 -0.99 2.03 -1.26 -0.54 116.55 127.61 2orl n ASP 60 Ca 0.27 -2.12 -0.12 0.00 0.52 0.00 0.00 54.79 53.34 2orl n ASP 60 Cb 0.38 0.26 -0.08 0.00 -0.72 0.00 0.00 41.12 40.96 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 0.05 0.05 -0.67 4.57 -2.00 -2.70 114.58 113.88 2orl h GLU 61 Ca -0.20 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 57.88 2orl h GLU 61 Cb 0.64 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2orl h GLU 61 CO 0.33 0.29 -0.36 -0.97 -1.18 0.00 0.00 179.01 177.12 2orl h ASN 62 N -0.20 0.23 -0.65 1.04 -1.24 -1.99 -3.36 115.58 109.41 2orl h ASN 62 Ca 0.01 -0.93 0.13 0.00 0.71 0.00 0.00 56.30 56.22 2orl h ASN 62 Cb 0.26 -0.07 -0.10 0.00 0.73 0.00 0.00 38.32 39.14 2orl h ASN 62 CO 0.00 1.14 0.10 -1.13 -1.29 0.00 0.00 177.43 176.25 2orl h ASN 63 N -0.65 -0.09 -0.80 1.15 -0.73 -1.91 -1.26 115.58 111.29 2orl h ASN 63 Ca -0.06 0.14 0.07 0.00 1.87 0.00 0.00 56.30 58.31 2orl h ASN 63 Cb 1.24 0.21 -0.05 0.00 0.27 0.00 0.00 38.32 39.99 2orl h ASN 63 CO 0.07 -0.05 0.52 -0.03 -0.37 0.00 0.00 177.43 177.57 2orl h MET 64 N 0.21 0.84 -0.33 6.67 4.05 -1.64 -2.66 114.93 122.07 2orl h MET 64 Ca 0.35 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.58 2orl h MET 64 Cb 0.56 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 2orl h MET 64 CO -0.48 0.55 -0.32 0.77 0.23 0.00 0.00 176.91 177.66 2orl h SER 65 N 0.86 0.86 -0.75 1.39 0.02 -1.39 -1.89 113.55 112.65 2orl h SER 65 Ca 0.35 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2orl h SER 65 Cb 0.24 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 2orl h SER 65 CO -0.12 1.15 0.43 1.05 -1.14 0.00 0.00 176.83 178.19 2orl h GLU 66 N 0.58 1.05 -0.06 3.45 4.11 -1.18 -2.87 114.58 119.66 2orl h GLU 66 Ca 0.05 -0.11 -0.25 0.00 0.07 0.00 0.00 59.36 59.13 2orl h GLU 66 Cb 0.90 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 29.95 2orl h GLU 66 CO 0.08 0.76 -0.94 -0.92 0.07 0.00 0.00 179.01 178.06 2orl h TYR 67 N 1.06 1.03 -0.72 2.06 3.20 -1.45 -3.32 116.97 118.83 2orl h TYR 67 Ca 0.27 -0.52 0.04 0.00 3.14 0.00 0.00 58.73 61.66 2orl h TYR 67 Cb 0.00 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.10 2orl h TYR 67 CO 0.01 1.36 0.48 -0.07 -1.64 0.00 0.00 178.16 178.29 2orl h LEU 68 N 0.44 0.74 -1.61 2.82 3.38 -1.11 -2.59 115.31 117.38 2orl h LEU 68 Ca -0.10 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.06 2orl h LEU 68 Cb 1.58 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 42.10 2orl h LEU 68 CO 0.19 0.51 0.56 0.74 0.09 0.00 0.00 178.44 180.52 2orl h THR 69 N 0.86 0.70 -0.75 0.22 2.02 -1.61 -2.48 112.91 111.88 2orl h THR 69 Ca 0.29 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.33 2orl h THR 69 Cb 0.09 0.33 -0.18 0.00 -1.74 0.00 0.00 68.15 66.65 2orl h THR 69 CO -0.09 0.06 -0.35 0.21 0.37 0.00 0.00 175.52 175.73 2orl s ASN 70 N -5.76 -1.14 0.59 4.18 2.47 -1.00 -4.48 114.94 109.79 2orl s ASN 70 Ca -0.08 -0.77 0.32 0.00 0.42 0.00 0.00 52.86 52.75 2orl s ASN 70 Cb 0.22 1.46 1.85 0.00 -1.45 0.00 0.00 41.25 43.33 2orl s ASN 70 CO 0.77 -0.10 2.24 1.55 -3.72 0.00 0.00 177.10 177.84 2orl h PRO 71 N 6.04 0.00 -0.19 0.43 0.13 -1.68 -2.20 132.00 134.53 2orl h PRO 71 Ca 0.03 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.04 2orl h PRO 71 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2orl h PRO 71 CO 0.03 0.02 -0.38 0.87 -0.23 0.00 0.00 178.00 178.31 2orl h LYS 72 N 0.00 0.42 0.25 0.86 1.57 -1.89 0.05 116.57 117.83 2orl h LYS 72 Ca -0.00 -0.20 -0.34 0.00 -1.87 0.00 0.00 60.65 58.24 2orl h LYS 72 Cb 0.07 -0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.41 2orl h LYS 72 CO 0.00 0.74 -1.50 -0.22 -0.57 0.00 0.00 179.45 177.91 2orl h LYS 73 N 0.36 0.53 -0.21 3.15 1.63 -1.79 -3.12 116.57 117.11 2orl h LYS 73 Ca 0.04 -0.90 -0.16 0.00 -0.85 0.00 0.00 60.65 58.77 2orl h LYS 73 Cb 0.83 0.34 0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2orl h LYS 73 CO 0.07 1.43 -0.51 -0.92 -3.45 0.00 0.00 179.45 176.07 2orl h TYR 74 N 0.13 0.92 -3.01 1.91 3.20 -1.53 -3.39 116.97 115.20 2orl h TYR 74 Ca -0.27 -0.35 -0.62 0.00 3.14 0.00 0.00 58.73 60.64 2orl h TYR 74 Cb 2.16 -0.16 -0.40 0.00 1.54 0.00 0.00 36.73 39.86 2orl h TYR 74 CO 0.13 1.14 -0.71 0.42 -1.64 0.00 0.00 178.16 177.51 2orl s ILE 75 N -3.99 1.84 -0.56 1.81 1.01 0.00 -5.05 121.20 116.26 2orl s ILE 75 Ca -0.12 -3.11 -0.27 0.00 0.00 0.00 0.00 60.65 57.16 2orl s ILE 75 Cb 0.08 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 2orl s ILE 75 CO 0.86 -0.94 1.98 -2.16 0.00 0.00 0.00 174.94 174.68 2orl s PRO 76 N -0.22 2.57 0.00 2.79 0.04 -1.18 -2.44 135.00 136.56 2orl s PRO 76 Ca 0.21 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.12 2orl s PRO 76 Cb -0.17 -4.42 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2orl s PRO 76 CO -0.06 -2.78 0.00 0.41 0.04 0.00 0.00 177.00 174.61 2orl n GLY 77 N 5.75 1.41 3.78 0.56 0.00 -1.26 -4.74 105.19 110.69 2orl n GLY 77 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.00 3.66 -0.74 2.61 -1.32 -1.02 -4.86 115.64 111.97 2orl s THR 78 Ca 0.00 1.30 0.07 0.00 -1.21 0.00 0.00 61.69 61.85 2orl s THR 78 Cb 0.00 -3.69 0.38 0.00 -1.51 0.00 0.00 72.50 67.69 2orl s THR 78 CO 0.00 0.04 1.10 2.29 -2.21 0.00 0.00 174.62 175.84 2orl n LYS 79 N 0.01 2.78 -2.75 7.08 2.85 -1.26 -4.80 118.16 122.06 2orl n LYS 79 Ca 0.05 -1.48 -0.43 0.00 -1.05 0.00 0.00 58.31 55.40 2orl n LYS 79 Cb 0.49 -1.82 -0.02 0.00 -0.65 0.00 0.00 35.03 33.02 2orl n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 2orl s MET 80 N -1.81 3.67 -1.31 -1.58 1.75 -1.26 -4.94 119.30 113.82 2orl s MET 80 Ca 0.26 -1.60 -0.18 0.00 -1.25 0.00 0.00 55.69 52.92 2orl s MET 80 Cb 0.19 -5.16 0.04 0.00 2.84 0.00 0.00 34.83 32.74 2orl s MET 80 CO 0.08 -1.99 1.89 0.00 -0.65 0.00 0.00 175.02 174.35 2orl n ALA 81 N 7.55 3.86 -0.04 4.11 0.00 -1.26 -4.29 120.51 130.43 2orl n ALA 81 Ca 0.31 -3.75 0.00 0.00 0.00 0.00 0.00 53.44 49.99 2orl n ALA 81 Cb 0.49 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.36 2orl n ALA 81 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2orl n PHE 82 N 8.39 0.00 0.00 0.00 7.35 -1.26 -5.07 117.46 126.87 2orl n PHE 82 Ca 0.49 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 2orl n PHE 82 Cb 0.44 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.27 2orl n PHE 82 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2orl n GLY 83 N 0.14 1.32 0.00 7.13 0.00 -1.26 -4.76 105.19 107.77 2orl n GLY 83 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.43 3.61 -0.02 0.00 -1.26 -4.63 105.19 105.31 2orl n GLY 84 Ca 0.00 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 3.64 0.18 0.99 1.43 -0.93 -4.80 118.68 119.19 2orl s LEU 85 Ca 0.00 0.87 0.25 0.00 -1.03 0.00 0.00 54.13 54.22 2orl s LEU 85 Cb 0.00 -3.54 0.59 0.00 0.03 0.00 0.00 46.19 43.27 2orl s LEU 85 CO 0.00 -1.36 1.57 0.11 0.23 0.00 0.00 176.35 176.90 2orl h LYS 86 N 10.36 0.00 -4.88 1.70 1.79 -1.85 -3.28 116.57 120.41 2orl h LYS 86 Ca -0.27 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.52 2orl h LYS 86 Cb 1.10 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.57 2orl h LYS 86 CO 1.08 0.00 0.26 0.15 -1.08 0.00 0.00 179.45 179.86 2orl s LYS 87 N -3.13 3.10 0.17 3.15 -0.14 -1.26 -4.96 119.74 116.66 2orl s LYS 87 Ca 0.09 -1.24 -0.15 0.00 -1.36 0.00 0.00 55.97 53.30 2orl s LYS 87 Cb 0.13 -4.29 0.12 0.00 -1.68 0.00 0.00 37.83 32.10 2orl s LYS 87 CO 0.65 -1.62 1.71 1.49 -0.76 0.00 0.00 175.35 176.83 2orl h GLU 88 N 9.24 0.17 -0.90 1.68 4.81 -1.99 -2.51 114.58 125.08 2orl h GLU 88 Ca -0.27 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.05 2orl h GLU 88 Cb 1.08 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 2orl h GLU 88 CO 1.12 0.11 0.58 0.87 -0.73 0.00 0.00 179.01 180.96 2orl h LYS 89 N 0.17 0.88 -0.65 1.92 1.79 -1.93 -0.28 116.57 118.48 2orl h LYS 89 Ca 0.20 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.53 2orl h LYS 89 Cb 0.26 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 2orl h LYS 89 CO -0.29 0.58 0.07 -0.44 -1.08 0.00 0.00 179.45 178.29 2orl h ASP 90 N 0.91 1.06 0.37 0.86 5.19 -1.89 -3.14 116.42 119.77 2orl h ASP 90 Ca 0.41 -0.27 -0.25 0.00 -0.62 0.00 0.00 57.03 56.30 2orl h ASP 90 Cb 0.38 -0.28 0.01 0.00 0.18 0.00 0.00 39.33 39.62 2orl h ASP 90 CO -0.17 1.07 -1.05 0.03 -3.12 0.00 0.00 179.24 175.99 2orl h ARG 91 N 1.01 0.41 -0.93 3.56 3.08 -0.91 -3.28 114.38 117.32 2orl h ARG 91 Ca 0.19 -0.51 0.16 0.00 0.07 0.00 0.00 59.98 59.90 2orl h ARG 91 Cb 0.49 0.16 -0.16 0.00 0.08 0.00 0.00 29.97 30.53 2orl h ARG 91 CO 0.02 1.17 -0.31 -0.91 -1.07 0.00 0.00 179.97 178.87 2orl h ASN 92 N 0.21 -1.15 -0.46 7.04 2.35 -1.04 0.21 115.58 122.74 2orl h ASN 92 Ca -0.11 0.29 -0.12 0.00 -0.55 0.00 0.00 56.30 55.81 2orl h ASN 92 Cb 1.71 0.66 -0.02 0.00 0.05 0.00 0.00 38.32 40.73 2orl h ASN 92 CO 0.18 -0.30 -0.18 -0.78 -1.65 0.00 0.00 177.43 174.71 2orl h ASP 93 N -0.02 0.98 -0.86 5.81 1.82 -1.68 -3.09 116.42 119.37 2orl h ASP 93 Ca 0.38 -0.35 0.06 0.00 -0.39 0.00 0.00 57.03 56.73 2orl h ASP 93 Cb 0.63 -0.27 -0.05 0.00 0.68 0.00 0.00 39.33 40.32 2orl h ASP 93 CO -0.95 1.13 0.56 -0.07 -1.61 0.00 0.00 179.24 178.30 2orl h LEU 94 N 0.84 0.87 -0.29 2.28 3.38 -0.76 -2.63 115.31 119.00 2orl h LEU 94 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2orl h LEU 94 Cb 0.74 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2orl h LEU 94 CO 0.06 0.57 0.11 0.40 0.09 0.00 0.00 178.44 179.67 2orl h ILE 95 N 1.00 1.19 -1.00 1.22 2.04 -0.82 -2.80 117.51 118.34 2orl h ILE 95 Ca 0.36 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.72 2orl h ILE 95 Cb 0.16 1.03 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 2orl h ILE 95 CO -0.13 0.20 0.64 0.74 0.00 0.00 0.00 178.15 179.60 2orl h THR 96 N 0.31 1.04 0.52 -0.27 2.02 -1.44 0.33 112.91 115.42 2orl h THR 96 Ca 0.10 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 66.87 2orl h THR 96 Cb 0.21 -0.18 0.01 0.00 -1.74 0.00 0.00 68.15 66.44 2orl h THR 96 CO -0.01 0.20 -0.25 0.22 0.37 0.00 0.00 175.52 176.06 2orl h TYR 97 N 1.12 -0.64 -0.54 3.16 3.20 -1.29 0.47 116.97 122.45 2orl h TYR 97 Ca 0.45 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.30 2orl h TYR 97 Cb 0.25 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 2orl h TYR 97 CO -0.00 -0.36 0.31 1.25 -1.64 0.00 0.00 178.16 177.71 2orl h LEU 98 N -0.78 0.66 -0.81 2.82 7.12 -1.24 -2.47 115.31 120.60 2orl h LEU 98 Ca -0.07 -0.08 0.10 0.00 0.13 0.00 0.00 57.88 57.96 2orl h LEU 98 Cb 0.57 -0.17 -0.07 0.00 -0.53 0.00 0.00 40.66 40.46 2orl h LEU 98 CO 0.12 0.55 0.46 0.50 -0.13 0.00 0.00 178.44 179.93 2orl h LYS 99 N 0.72 0.74 -0.04 1.25 3.64 -0.33 -0.41 116.57 122.15 2orl h LYS 99 Ca 0.19 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 2orl h LYS 99 Cb 0.03 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2orl h LYS 99 CO -0.03 0.49 -0.39 -0.22 -2.27 0.00 0.00 179.45 177.02 2orl h LYS 100 N 0.76 0.07 0.16 1.90 1.63 -0.46 -1.30 116.57 119.34 2orl h LYS 100 Ca 0.40 -0.03 -0.29 0.00 -0.85 0.00 0.00 60.65 59.88 2orl h LYS 100 Cb 0.38 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.02 2orl h LYS 100 CO -0.25 0.46 -1.30 0.00 -3.45 0.00 0.00 179.45 174.91 2orl h ALA 101 N 1.54 0.04 0.14 5.00 0.00 -1.07 -3.35 119.26 121.56 2orl h ALA 101 Ca 0.00 -0.88 -0.27 0.00 0.00 0.00 0.00 54.91 53.76 2orl h ALA 101 Cb 0.73 0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.59 2orl h ALA 101 CO 0.05 0.91 -1.15 1.15 0.00 0.00 0.00 179.25 180.22 2orl h THR 102 N 0.09 1.34 0.00 0.00 2.02 -1.01 -3.48 112.91 111.87 2orl h THR 102 Ca -0.16 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.54 2orl h THR 102 Cb 2.02 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 71.28 2orl h THR 102 CO 0.22 0.74 0.00 -1.84 0.37 0.00 0.00 175.52 175.01