#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 3.55 -1.43 -2.82 0.00 -1.26 -5.08 120.64 113.60 2orl n GLU -4 Ca 0.00 -4.63 -0.34 0.00 0.00 0.00 0.00 57.16 52.19 2orl n GLU -4 Cb 0.00 -2.27 0.09 0.00 0.00 0.00 0.00 31.44 29.26 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 -3.65 2.15 -0.28 4.31 5.36 -1.26 -4.87 117.98 119.74 2orl s PHE -3 Ca 0.48 1.61 -0.15 0.00 -0.96 0.00 0.00 56.93 57.90 2orl s PHE -3 Cb 0.32 -3.38 0.08 0.00 -0.34 0.00 0.00 43.02 39.70 2orl s PHE -3 CO -0.18 -2.40 0.67 0.21 -1.46 0.00 0.00 175.22 172.07 2orl s LYS -2 N -4.06 0.68 0.46 10.12 2.20 -1.26 -5.15 119.74 122.74 2orl s LYS -2 Ca 0.72 1.23 -0.25 0.00 -0.36 0.00 0.00 55.97 57.31 2orl s LYS -2 Cb -0.26 0.19 -0.08 0.00 -1.51 0.00 0.00 37.83 36.17 2orl s LYS -2 CO 0.46 -0.15 1.41 0.00 -0.36 0.00 0.00 175.35 176.71 2orl s ALA -1 N 1.73 3.17 0.00 3.13 0.00 -1.26 -4.30 121.76 124.23 2orl s ALA -1 Ca -0.10 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2orl s ALA -1 Cb -0.06 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.48 2orl s ALA -1 CO -0.20 -1.21 0.00 0.41 0.00 0.00 0.00 175.76 174.77 2orl n GLY 1 N 0.60 3.82 3.50 0.00 0.00 -1.26 -4.88 105.19 106.97 2orl n GLY 1 Ca 0.06 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 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 0.17 -0.61 0.27 1.61 0.01 -1.26 -5.00 113.70 108.89 2orl s SER 2 Ca 0.00 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2orl s SER 2 Cb 0.00 0.99 0.58 0.00 0.21 0.00 0.00 66.02 67.80 2orl s SER 2 CO 0.00 -0.34 1.74 0.00 0.41 0.00 0.00 173.24 175.05 2orl h ALA 3 N 4.47 1.30 0.00 1.44 0.00 -1.90 -1.16 119.26 123.41 2orl h ALA 3 Ca -0.28 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2orl h ALA 3 Cb 1.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2orl h ALA 3 CO 0.21 -0.18 0.00 1.17 0.00 0.00 0.00 179.25 180.46 2orl n LYS 4 N -4.93 0.67 -0.04 0.00 4.81 -1.26 -2.99 118.16 114.41 2orl n LYS 4 Ca 0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.54 2orl n LYS 4 Cb 0.50 -1.26 -0.03 0.00 0.02 0.00 0.00 35.03 34.25 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 -0.76 0.17 -0.02 1.64 5.02 -0.47 -4.58 118.16 119.14 2orl n LYS 5 Ca 0.08 0.07 0.05 0.00 -2.02 0.00 0.00 58.31 56.49 2orl n LYS 5 Cb 0.04 -0.84 0.43 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.13 0.60 1.00 0.72 0.00 -1.51 -2.69 103.07 101.06 2orl h GLY 6 Ca -0.19 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.93 2orl h GLY 6 CO -0.10 0.20 0.38 0.00 0.00 0.00 0.00 176.54 177.02 2orl h ALA 7 N 1.73 0.74 -0.80 3.60 0.00 -1.80 -2.52 119.26 120.20 2orl h ALA 7 Ca 0.17 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.15 2orl h ALA 7 Cb 0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.52 2orl h ALA 7 CO -0.04 0.19 0.52 1.79 0.00 0.00 0.00 179.25 181.71 2orl h THR 8 N 0.79 0.90 0.00 0.00 1.35 -1.72 -1.82 112.91 112.41 2orl h THR 8 Ca 0.21 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 2orl h THR 8 Cb -0.08 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 66.51 2orl h THR 8 CO -0.05 0.12 0.00 0.18 -0.25 0.00 0.00 175.52 175.53 2orl n LEU 9 N -4.51 0.85 -0.40 3.87 7.99 -0.96 -3.65 117.00 120.19 2orl n LEU 9 Ca 0.14 0.36 0.36 0.00 -0.01 0.00 0.00 56.01 56.86 2orl n LEU 9 Cb 0.38 -0.00 0.62 0.00 -0.11 0.00 0.00 43.42 44.31 2orl n LEU 9 CO 0.32 -0.00 1.12 0.33 -1.51 0.00 0.00 177.39 177.64 2orl n PHE 10 N -0.50 0.84 -0.33 -1.77 7.35 -1.13 -1.33 117.46 120.58 2orl n PHE 10 Ca 0.00 0.84 0.34 0.00 -0.76 0.00 0.00 57.45 57.87 2orl n PHE 10 Cb 0.00 -1.27 0.72 0.00 0.35 0.00 0.00 39.48 39.28 2orl n PHE 10 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 2orl h LYS 11 N 0.00 0.06 -0.07 -4.13 3.64 -1.39 0.27 116.57 114.95 2orl h LYS 11 Ca 0.83 -0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 60.05 2orl h LYS 11 Cb 2.52 -0.01 -0.31 0.00 -0.41 0.00 0.00 32.23 34.02 2orl h LYS 11 CO -0.55 0.04 -0.93 -2.37 -2.27 0.00 0.00 179.45 173.36 2orl n THR 12 N -4.25 0.65 0.00 1.00 5.66 -0.44 -4.41 114.28 112.49 2orl n THR 12 Ca 0.26 -1.75 0.00 0.00 -3.05 0.00 0.00 64.05 59.51 2orl n THR 12 Cb 1.22 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 70.72 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 0.00 0.00 1.09 5.12 -0.60 -4.96 116.66 117.33 2orl n ARG 13 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.02 2orl n ARG 13 Cb 1.02 -0.46 0.00 0.00 -1.16 0.00 0.00 32.46 31.86 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 0.74 -1.55 0.00 5.85 -1.25 -1.38 115.31 117.70 2orl h LEU 15 Ca 0.00 0.05 0.38 0.00 0.84 0.00 0.00 57.88 59.16 2orl h LEU 15 Cb 0.61 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.45 2orl h LEU 15 CO 0.00 0.36 0.86 0.06 -0.34 0.00 0.00 178.44 179.37 2orl h GLN 16 N 0.77 0.15 0.00 1.25 3.07 -1.84 -3.25 115.11 115.26 2orl h GLN 16 Ca 0.48 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.21 2orl h GLN 16 Cb 0.71 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.24 2orl h GLN 16 CO -0.25 0.10 -0.73 0.00 0.09 0.00 0.00 178.83 178.04 2orl n HIS 18 N -1.81 -2.72 -3.69 0.00 8.25 -0.54 -0.62 115.22 114.08 2orl n HIS 18 Ca 0.00 -1.18 -0.17 0.00 -0.26 0.00 0.00 57.72 56.11 2orl n HIS 18 Cb 0.37 -0.35 -0.16 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.25 -0.18 0.17 1.59 -4.23 -1.26 -4.60 115.64 105.89 2orl s THR 19 Ca 0.36 0.34 -0.03 0.00 -1.18 0.00 0.00 61.69 61.18 2orl s THR 19 Cb -0.03 -0.24 -0.11 0.00 1.34 0.00 0.00 72.50 73.47 2orl s THR 19 CO 0.23 0.14 1.42 1.62 -0.54 0.00 0.00 174.62 177.50 2orl h VAL 20 N 6.33 1.36 -5.07 2.29 3.04 -1.95 -1.57 116.25 120.67 2orl h VAL 20 Ca -0.20 -2.07 -0.26 0.00 -1.01 0.00 0.00 66.70 63.16 2orl h VAL 20 Cb 1.12 2.05 -0.01 0.00 -2.01 0.00 0.00 31.29 32.44 2orl h VAL 20 CO 0.21 0.63 -0.09 -1.84 -1.01 0.00 0.00 177.57 175.47 2orl n GLU 21 N -3.87 0.97 -0.66 4.17 -0.00 -1.26 -3.17 120.64 116.83 2orl n GLU 21 Ca -0.05 -1.63 0.08 0.00 -0.00 0.00 0.00 57.16 55.57 2orl n GLU 21 Cb 0.70 0.05 0.35 0.00 -0.00 0.00 0.00 31.44 32.54 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 -1.35 3.95 0.02 3.44 5.02 -1.26 -4.46 118.16 123.52 2orl n LYS 22 Ca 0.03 -2.93 0.01 0.00 -2.02 0.00 0.00 58.31 53.40 2orl n LYS 22 Cb 0.30 -1.98 -0.09 0.00 -0.02 0.00 0.00 35.03 33.25 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 0.62 -1.18 3.69 0.72 0.00 -1.26 -4.88 105.19 102.90 2orl n GLY 23 Ca 0.25 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.80 2.26 0.86 -0.02 0.00 -1.26 -5.07 107.32 99.28 2orl s GLY 24 Ca -0.04 -0.23 -0.11 0.00 0.00 0.00 0.00 44.72 44.34 2orl s GLY 24 CO 0.82 1.02 1.17 2.56 0.00 0.00 0.00 173.10 178.67 2orl s PRO 25 N 1.20 1.38 0.02 2.90 0.04 -1.26 -4.88 135.00 134.41 2orl s PRO 25 Ca 0.27 1.61 -0.32 0.00 0.04 0.00 0.00 61.00 62.60 2orl s PRO 25 Cb -0.16 -1.76 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 2orl s PRO 25 CO 0.11 -2.38 1.87 0.72 0.04 0.00 0.00 177.00 177.37 2orl n HIS 26 N -3.78 2.45 0.00 0.56 8.25 -1.26 -4.89 115.22 116.55 2orl n HIS 26 Ca 0.12 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2orl n HIS 26 Cb 0.51 -2.71 0.00 0.00 1.12 0.00 0.00 29.99 28.91 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 6.40 1.40 0.28 -0.41 4.81 -1.25 -4.91 118.16 124.47 2orl n LYS 27 Ca 0.20 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.77 2orl n LYS 27 Cb 0.35 0.00 0.79 0.00 0.02 0.00 0.00 35.03 36.19 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 0.59 -2.82 3.15 2.07 -1.63 -3.44 116.25 114.18 2orl h VAL 28 Ca 0.00 -0.30 -0.47 0.00 0.82 0.00 0.00 66.70 66.76 2orl h VAL 28 Cb 0.00 1.19 -0.14 0.00 -1.52 0.00 0.00 31.29 30.82 2orl h VAL 28 CO 0.00 0.07 -0.66 -0.83 0.02 0.00 0.00 177.57 176.17 2orl s GLY 29 N -4.15 1.82 1.13 2.17 0.00 0.20 -4.98 107.32 103.51 2orl s GLY 29 Ca -0.04 -1.91 -0.17 0.00 0.00 0.00 0.00 44.72 42.61 2orl s GLY 29 CO 0.58 -1.80 1.11 2.56 0.00 0.00 0.00 173.10 175.55 2orl s PRO 30 N -3.79 -0.61 0.10 2.90 0.04 -1.26 -4.54 135.00 127.84 2orl s PRO 30 Ca 0.30 0.12 -0.28 0.00 0.04 0.00 0.00 61.00 61.18 2orl s PRO 30 Cb 0.05 -1.65 -0.06 0.00 0.04 0.00 0.00 34.50 32.88 2orl s PRO 30 CO 0.12 -3.34 0.90 1.21 0.04 0.00 0.00 177.00 175.92 2orl s ASN 31 N -3.77 7.43 0.18 6.66 3.84 -1.26 -3.99 114.94 124.02 2orl s ASN 31 Ca 0.69 1.70 0.18 0.00 0.21 0.00 0.00 52.86 55.64 2orl s ASN 31 Cb -0.13 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 38.00 2orl s ASN 31 CO 0.56 -0.02 1.10 -0.07 -2.79 0.00 0.00 177.10 175.89 2orl h LEU 32 N 5.45 0.00 -8.32 3.21 3.38 -1.54 -3.44 115.31 114.05 2orl h LEU 32 Ca -0.43 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.32 2orl h LEU 32 Cb 1.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2orl h LEU 32 CO 0.71 0.41 0.60 -2.28 0.09 0.00 0.00 178.44 177.97 2orl s HIS 33 N -3.03 1.49 0.00 1.13 2.46 -1.19 -2.12 115.29 114.03 2orl s HIS 33 Ca 0.00 1.22 0.00 0.00 0.47 0.00 0.00 55.06 56.75 2orl s HIS 33 Cb 0.08 -3.79 0.00 0.00 -0.13 0.00 0.00 32.58 28.74 2orl s HIS 33 CO 0.78 -1.79 0.00 0.41 -2.47 0.00 0.00 174.74 171.67 2orl n GLY 34 N 6.67 1.22 0.27 1.59 0.00 -1.26 -4.93 105.19 108.74 2orl n GLY 34 Ca 0.40 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.32 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 1.27 -1.81 -0.61 3.07 -1.72 -3.41 117.51 114.30 2orl h ILE 35 Ca 0.00 -1.24 -0.61 0.00 1.55 0.00 0.00 64.86 64.57 2orl h ILE 35 Cb 0.00 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.64 2orl h ILE 35 CO 0.00 0.43 1.37 0.49 -1.05 0.00 0.00 178.15 179.39 2orl n PHE 36 N -4.23 2.01 0.00 0.16 3.72 -1.26 -0.95 117.46 116.90 2orl n PHE 36 Ca 0.00 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2orl n PHE 36 Cb 0.39 -2.68 0.00 0.00 -0.94 0.00 0.00 39.48 36.25 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 5.56 0.26 4.01 1.37 0.00 -0.09 -5.04 105.19 111.25 2orl n GLY 37 Ca 0.30 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.87 2.49 0.23 1.61 0.52 -0.13 -4.86 118.95 117.95 2orl s ARG 38 Ca 0.00 -1.21 0.04 0.00 -0.52 0.00 0.00 55.73 54.04 2orl s ARG 38 Cb 0.00 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.82 2orl s ARG 38 CO 0.00 -0.67 0.36 -1.01 0.02 0.00 0.00 175.30 174.00 2orl s HIS 39 N -2.62 3.46 -0.11 -0.53 3.76 -1.25 -1.30 115.29 116.69 2orl s HIS 39 Ca 0.59 0.03 -0.35 0.00 -0.15 0.00 0.00 55.06 55.17 2orl s HIS 39 Cb -0.08 -1.61 -0.13 0.00 1.11 0.00 0.00 32.58 31.87 2orl s HIS 39 CO 0.37 0.44 1.84 0.43 -0.85 0.00 0.00 174.74 176.96 2orl n SER 40 N -1.27 3.22 -0.26 1.40 7.64 0.49 -3.39 113.62 121.45 2orl n SER 40 Ca -0.08 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.79 2orl n SER 40 Cb 0.56 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 4.30 0.55 0.68 0.23 0.00 -1.26 -4.34 105.19 105.35 2orl n GLY 41 Ca 0.23 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.26 1.47 -2.52 1.61 6.02 -1.22 -4.98 117.38 117.50 2orl n GLN 42 Ca 0.00 -3.21 -0.42 0.00 -0.01 0.00 0.00 57.00 53.37 2orl n GLN 42 Cb 0.14 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 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 -2.98 3.33 -1.05 -1.58 0.00 -1.26 -4.95 121.76 113.28 2orl s ALA 43 Ca 0.38 0.77 -0.20 0.00 0.00 0.00 0.00 51.96 52.90 2orl s ALA 43 Cb 0.37 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 20.03 2orl s ALA 43 CO -0.08 -0.29 1.96 0.39 0.00 0.00 0.00 175.76 177.74 2orl n GLU 44 N 3.28 1.95 0.00 0.00 4.71 -1.26 -3.22 120.64 126.09 2orl n GLU 44 Ca 0.06 -2.28 0.00 0.00 -0.01 0.00 0.00 57.16 54.93 2orl n GLU 44 Cb 0.47 -3.24 0.00 0.00 -1.01 0.00 0.00 31.44 27.67 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 4.84 1.94 2.92 0.62 0.00 -1.26 -5.04 105.19 109.20 2orl n GLY 45 Ca 0.49 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.94 0.11 -0.06 1.61 6.14 -1.20 -4.96 117.35 117.05 2orl s TYR 46 Ca 0.00 -0.22 -0.07 0.00 0.64 0.00 0.00 57.07 57.43 2orl s TYR 46 Cb 0.00 -0.08 -0.04 0.00 0.42 0.00 0.00 41.96 42.26 2orl s TYR 46 CO 0.00 -0.08 0.20 -1.12 0.64 0.00 0.00 175.55 175.18 2orl s SER 47 N -0.61 6.44 0.30 4.32 0.01 -1.26 -4.61 113.70 118.29 2orl s SER 47 Ca -0.07 0.50 0.08 0.00 1.31 0.00 0.00 55.95 57.77 2orl s SER 47 Cb -0.04 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 2orl s SER 47 CO -0.00 0.34 0.11 -0.31 0.41 0.00 0.00 173.24 173.78 2orl s TYR 48 N -1.15 2.78 0.82 2.43 1.51 -1.26 -5.01 117.35 117.46 2orl s TYR 48 Ca 0.21 -0.28 -0.12 0.00 -1.01 0.00 0.00 57.07 55.88 2orl s TYR 48 Cb -0.13 -1.46 0.08 0.00 -0.11 0.00 0.00 41.96 40.35 2orl s TYR 48 CO 0.10 0.45 1.10 0.95 -1.11 0.00 0.00 175.55 177.05 2orl s THR 49 N -2.34 2.94 0.41 -0.71 -4.23 -1.26 -4.90 115.64 105.56 2orl s THR 49 Ca 0.35 0.31 0.15 0.00 -1.18 0.00 0.00 61.69 61.32 2orl s THR 49 Cb -0.05 -3.01 0.36 0.00 1.34 0.00 0.00 72.50 71.14 2orl s THR 49 CO 0.22 -0.40 1.89 -0.78 -0.54 0.00 0.00 174.62 175.02 2orl h ASP 50 N -1.18 0.44 0.57 3.99 1.82 -1.97 -2.60 116.42 117.49 2orl h ASP 50 Ca -0.48 0.03 -0.28 0.00 -0.39 0.00 0.00 57.03 55.91 2orl h ASP 50 Cb 1.27 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 41.21 2orl h ASP 50 CO 0.59 0.21 -1.44 0.00 -1.61 0.00 0.00 179.24 176.99 2orl h ALA 51 N 1.63 0.34 -0.28 -0.78 0.00 -1.91 -3.22 119.26 115.04 2orl h ALA 51 Ca 0.41 -1.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.04 2orl h ALA 51 Cb 0.92 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2orl h ALA 51 CO -0.15 1.21 -0.53 -0.97 0.00 0.00 0.00 179.25 178.81 2orl h ASN 52 N 0.05 0.91 0.15 0.00 -0.73 -1.84 -2.99 115.58 111.13 2orl h ASN 52 Ca -0.20 -0.48 -0.01 0.00 1.87 0.00 0.00 56.30 57.49 2orl h ASN 52 Cb 1.97 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 40.30 2orl h ASN 52 CO 0.15 1.26 -0.07 0.40 -0.37 0.00 0.00 177.43 178.79 2orl h ILE 53 N 0.63 0.00 -0.33 2.57 2.04 -1.67 -2.89 117.51 117.86 2orl h ILE 53 Ca 0.02 -0.08 0.10 0.00 1.00 0.00 0.00 64.86 65.89 2orl h ILE 53 Cb 1.13 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2orl h ILE 53 CO 0.12 0.00 0.94 0.29 0.00 0.00 0.00 178.15 179.49 2orl n LYS 54 N -2.79 0.02 0.08 2.37 5.02 -1.22 -1.03 118.16 120.62 2orl n LYS 54 Ca -0.03 0.84 -0.15 0.00 -2.02 0.00 0.00 58.31 56.96 2orl n LYS 54 Cb 0.08 -2.22 -0.08 0.00 -0.02 0.00 0.00 35.03 32.79 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 0.39 -5.82 1.97 1.63 -1.34 -3.48 116.57 109.91 2orl h LYS 55 Ca 0.16 -0.49 -0.32 0.00 -0.85 0.00 0.00 60.65 59.15 2orl h LYS 55 Cb 2.03 0.16 -0.20 0.00 -0.60 0.00 0.00 32.23 33.62 2orl h LYS 55 CO -0.00 1.17 -0.46 -1.71 -3.45 0.00 0.00 179.45 175.00 2orl n ASN 56 N -3.68 -1.32 -4.75 4.20 2.85 -0.20 -4.90 115.26 107.46 2orl n ASN 56 Ca -0.08 -0.44 -0.41 0.00 -0.11 0.00 0.00 54.58 53.54 2orl n ASN 56 Cb 0.91 -1.20 -0.03 0.00 1.24 0.00 0.00 39.78 40.70 2orl n ASN 56 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2orl s VAL 57 N -2.48 3.09 -0.65 3.44 0.11 -1.26 -4.42 120.40 118.23 2orl s VAL 57 Ca 0.42 0.98 -0.21 0.00 -2.93 0.00 0.00 61.98 60.24 2orl s VAL 57 Cb -0.25 -3.63 0.08 0.00 -1.53 0.00 0.00 36.38 31.06 2orl s VAL 57 CO 0.52 0.19 0.90 -0.22 -3.33 0.00 0.00 175.10 173.16 2orl s LEU 58 N -0.88 4.68 -0.38 2.54 0.20 -1.26 -0.38 118.68 123.21 2orl s LEU 58 Ca 0.52 -1.15 -0.32 0.00 0.69 0.00 0.00 54.13 53.88 2orl s LEU 58 Cb -0.37 -2.39 -0.10 0.00 -0.43 0.00 0.00 46.19 42.91 2orl s LEU 58 CO 0.43 -1.34 2.27 0.79 -0.29 0.00 0.00 176.35 178.21 2orl n TRP 59 N 7.30 1.60 -4.13 5.38 5.03 -0.42 -4.87 117.44 127.33 2orl n TRP 59 Ca -0.05 0.15 -0.13 0.00 3.03 0.00 0.00 57.50 60.50 2orl n TRP 59 Cb 0.45 -2.59 -0.02 0.00 -1.03 0.00 0.00 31.31 28.11 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 11.39 2.34 0.28 -0.99 2.03 -1.26 -0.92 116.55 129.42 2orl n ASP 60 Ca 0.39 -1.90 -0.16 0.00 0.52 0.00 0.00 54.79 53.65 2orl n ASP 60 Cb 0.33 0.10 -0.08 0.00 -0.72 0.00 0.00 41.12 40.74 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 -0.65 0.05 -0.67 4.57 -2.01 -2.91 114.58 112.96 2orl h GLU 61 Ca -0.17 0.04 -0.11 0.00 -1.18 0.00 0.00 59.36 57.95 2orl h GLU 61 Cb 0.54 0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2orl h GLU 61 CO 0.28 -0.39 -0.45 -0.97 -1.18 0.00 0.00 179.01 176.29 2orl h ASN 62 N -0.76 0.31 -0.84 1.04 -1.24 -1.98 -3.36 115.58 108.75 2orl h ASN 62 Ca -0.07 -0.88 0.19 0.00 0.71 0.00 0.00 56.30 56.25 2orl h ASN 62 Cb 0.55 -0.10 -0.12 0.00 0.73 0.00 0.00 38.32 39.39 2orl h ASN 62 CO 0.11 1.16 0.32 -1.13 -1.29 0.00 0.00 177.43 176.60 2orl h ASN 63 N -0.50 0.23 -0.82 1.15 -0.73 -1.91 -0.21 115.58 112.79 2orl h ASN 63 Ca -0.07 0.15 0.01 0.00 1.87 0.00 0.00 56.30 58.26 2orl h ASN 63 Cb 1.27 0.15 -0.04 0.00 0.27 0.00 0.00 38.32 39.97 2orl h ASN 63 CO 0.09 0.00 0.54 -0.03 -0.37 0.00 0.00 177.43 177.66 2orl h MET 64 N 0.37 1.08 -0.28 6.67 4.05 -1.65 -2.76 114.93 122.41 2orl h MET 64 Ca 0.50 -0.07 -0.09 0.00 -0.28 0.00 0.00 59.70 59.77 2orl h MET 64 Cb 0.91 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 31.46 2orl h MET 64 CO -0.51 0.72 -0.18 0.77 0.23 0.00 0.00 176.91 177.93 2orl h SER 65 N 1.11 0.65 -0.81 1.39 0.02 -1.19 0.80 113.55 115.51 2orl h SER 65 Ca 0.30 -0.43 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2orl h SER 65 Cb -0.13 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.19 2orl h SER 65 CO -0.06 0.94 0.54 1.05 -1.14 0.00 0.00 176.83 178.15 2orl h GLU 66 N 0.36 1.05 0.12 3.45 4.11 -1.33 -2.87 114.58 119.46 2orl h GLU 66 Ca 0.06 -0.06 -0.18 0.00 0.07 0.00 0.00 59.36 59.25 2orl h GLU 66 Cb 0.72 -0.24 0.02 0.00 0.50 0.00 0.00 28.75 29.75 2orl h GLU 66 CO 0.05 0.69 -0.76 -0.92 0.07 0.00 0.00 179.01 178.14 2orl h TYR 67 N 1.08 0.54 -0.97 2.06 3.20 -1.44 -3.36 116.97 118.08 2orl h TYR 67 Ca 0.30 -0.38 0.10 0.00 3.14 0.00 0.00 58.73 61.90 2orl h TYR 67 Cb -0.10 -0.03 -0.08 0.00 1.54 0.00 0.00 36.73 38.07 2orl h TYR 67 CO -0.00 1.28 0.62 -0.07 -1.64 0.00 0.00 178.16 178.35 2orl h LEU 68 N -0.35 0.91 -2.18 2.82 3.38 -0.68 -1.93 115.31 117.29 2orl h LEU 68 Ca -0.13 0.03 0.05 0.00 0.09 0.00 0.00 57.88 57.92 2orl h LEU 68 Cb 1.58 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2orl h LEU 68 CO 0.14 0.52 0.14 0.74 0.09 0.00 0.00 178.44 180.08 2orl h THR 69 N 1.00 0.66 -0.90 0.22 2.02 -1.65 -3.33 112.91 110.92 2orl h THR 69 Ca 0.46 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.56 2orl h THR 69 Cb 0.41 0.89 -0.17 0.00 -1.74 0.00 0.00 68.15 67.53 2orl h THR 69 CO -0.22 0.00 -0.43 0.21 0.37 0.00 0.00 175.52 175.45 2orl s ASN 70 N -6.24 -1.35 0.47 4.18 3.84 -0.77 -4.20 114.94 110.87 2orl s ASN 70 Ca -0.05 -1.13 0.14 0.00 0.21 0.00 0.00 52.86 52.04 2orl s ASN 70 Cb 0.16 1.75 1.08 0.00 -0.55 0.00 0.00 41.25 43.69 2orl s ASN 70 CO 0.61 -0.10 2.05 1.55 -2.79 0.00 0.00 177.10 178.42 2orl h PRO 71 N 5.88 0.05 -0.27 0.43 0.13 -1.61 -2.71 132.00 133.90 2orl h PRO 71 Ca 0.05 -0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 65.03 2orl h PRO 71 Cb 1.15 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2orl h PRO 71 CO 0.04 0.14 -0.39 0.87 -0.23 0.00 0.00 178.00 178.43 2orl h LYS 72 N 0.05 0.63 0.02 0.86 6.56 -1.83 -1.31 116.57 121.55 2orl h LYS 72 Ca 0.01 -0.32 -0.27 0.00 -1.06 0.00 0.00 60.65 59.02 2orl h LYS 72 Cb 0.18 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 31.86 2orl h LYS 72 CO 0.01 0.91 -1.07 -0.22 -2.06 0.00 0.00 179.45 177.02 2orl h LYS 73 N 0.52 0.68 -0.22 3.15 1.63 -1.88 -3.19 116.57 117.26 2orl h LYS 73 Ca 0.05 -0.76 -0.16 0.00 -0.85 0.00 0.00 60.65 58.93 2orl h LYS 73 Cb 0.90 0.22 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 2orl h LYS 73 CO 0.08 1.33 -0.48 -0.92 -3.45 0.00 0.00 179.45 176.00 2orl h TYR 74 N 0.37 0.91 -3.18 1.91 3.20 -1.52 -3.40 116.97 115.26 2orl h TYR 74 Ca -0.14 -0.34 -0.61 0.00 3.14 0.00 0.00 58.73 60.78 2orl h TYR 74 Cb 1.73 -0.17 -0.40 0.00 1.54 0.00 0.00 36.73 39.43 2orl h TYR 74 CO 0.10 1.13 -0.73 0.42 -1.64 0.00 0.00 178.16 177.45 2orl s ILE 75 N -4.03 1.53 -0.59 1.81 1.01 -0.50 -5.09 121.20 115.34 2orl s ILE 75 Ca -0.12 -2.30 -0.26 0.00 0.00 0.00 0.00 60.65 57.97 2orl s ILE 75 Cb 0.08 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 2orl s ILE 75 CO 0.86 -0.78 1.98 -2.16 0.00 0.00 0.00 174.94 174.83 2orl s PRO 76 N 0.70 2.51 0.00 2.79 0.04 -1.20 -2.42 135.00 137.43 2orl s PRO 76 Ca 0.14 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.96 2orl s PRO 76 Cb -0.22 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 29.89 2orl s PRO 76 CO -0.08 -2.85 0.00 0.41 0.04 0.00 0.00 177.00 174.52 2orl n GLY 77 N 5.76 1.03 3.77 0.56 0.00 -1.26 -4.75 105.19 110.30 2orl n GLY 77 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.93 2.77 0.20 2.61 -1.32 -1.01 -4.92 115.64 112.04 2orl s THR 78 Ca 0.00 0.65 0.27 0.00 -1.21 0.00 0.00 61.69 61.39 2orl s THR 78 Cb 0.00 -3.36 0.27 0.00 -1.51 0.00 0.00 72.50 67.90 2orl s THR 78 CO 0.00 0.06 1.92 0.11 -2.21 0.00 0.00 174.62 174.49 2orl h LYS 79 N 2.42 0.00 -6.30 7.08 1.57 -1.97 -3.43 116.57 115.94 2orl h LYS 79 Ca -0.49 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.74 2orl h LYS 79 Cb 1.25 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.51 2orl h LYS 79 CO 0.61 0.16 1.19 1.41 -0.57 0.00 0.00 179.45 182.26 2orl s MET 80 N -3.78 3.19 -0.30 3.15 1.75 -1.26 -4.86 119.30 117.18 2orl s MET 80 Ca -0.00 0.77 0.10 0.00 -1.25 0.00 0.00 55.69 55.31 2orl s MET 80 Cb 0.11 -4.19 0.64 0.00 2.84 0.00 0.00 34.83 34.23 2orl s MET 80 CO 0.61 -2.05 1.67 0.00 -0.65 0.00 0.00 175.02 174.59 2orl n ALA 81 N 10.35 4.32 0.31 4.11 0.00 -1.26 -4.65 120.51 133.69 2orl n ALA 81 Ca 0.17 -2.59 0.19 0.00 0.00 0.00 0.00 53.44 51.21 2orl n ALA 81 Cb 0.49 -1.05 0.98 0.00 0.00 0.00 0.00 19.45 19.88 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 1.91 0.00 0.00 0.00 3.57 -1.96 -3.47 116.94 116.99 2orl h PHE 82 Ca 0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2orl h PHE 82 Cb 2.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.81 2orl h PHE 82 CO 1.11 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 177.60 2orl n GLY 83 N -1.21 2.73 0.22 2.40 0.00 -1.26 -4.89 105.19 103.18 2orl n GLY 83 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.99 3.55 -0.02 0.00 -1.25 -4.64 105.19 101.84 2orl n GLY 84 Ca 0.00 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.03 3.25 0.65 0.99 1.43 -1.25 -4.81 118.68 118.90 2orl s LEU 85 Ca 0.00 -0.13 0.41 0.00 -1.03 0.00 0.00 54.13 53.39 2orl s LEU 85 Cb 0.00 -2.54 2.28 0.00 0.03 0.00 0.00 46.19 45.95 2orl s LEU 85 CO 0.00 -2.20 2.34 0.11 0.23 0.00 0.00 176.35 176.82 2orl h LYS 86 N 12.75 0.00 -5.86 1.70 1.79 -1.92 -3.42 116.57 121.61 2orl h LYS 86 Ca -0.20 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.66 2orl h LYS 86 Cb 1.10 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.63 2orl h LYS 86 CO 1.25 0.00 0.48 0.15 -1.08 0.00 0.00 179.45 180.25 2orl s LYS 87 N -4.23 3.39 0.14 3.15 1.02 -1.26 -4.97 119.74 116.98 2orl s LYS 87 Ca -0.05 -0.14 -0.18 0.00 0.02 0.00 0.00 55.97 55.62 2orl s LYS 87 Cb 0.13 -3.99 0.03 0.00 -0.52 0.00 0.00 37.83 33.48 2orl s LYS 87 CO 0.44 -1.29 1.73 1.49 -0.92 0.00 0.00 175.35 176.80 2orl h GLU 88 N 9.14 0.14 -0.75 1.68 4.81 -2.00 -2.78 114.58 124.82 2orl h GLU 88 Ca -0.25 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.10 2orl h GLU 88 Cb 1.08 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 30.34 2orl h GLU 88 CO 1.03 0.09 0.34 0.87 -0.73 0.00 0.00 179.01 180.61 2orl h LYS 89 N 0.15 0.51 -0.73 1.92 1.79 -1.93 -0.08 116.57 118.19 2orl h LYS 89 Ca 0.14 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.58 2orl h LYS 89 Cb 0.16 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 2orl h LYS 89 CO -0.19 0.34 0.45 -0.44 -1.08 0.00 0.00 179.45 178.52 2orl h ASP 90 N 0.52 0.87 0.17 0.86 5.19 -1.92 -2.78 116.42 119.34 2orl h ASP 90 Ca 0.40 -0.06 -0.19 0.00 -0.62 0.00 0.00 57.03 56.56 2orl h ASP 90 Cb 0.54 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.83 2orl h ASP 90 CO -0.35 0.67 -0.75 0.03 -3.12 0.00 0.00 179.24 175.72 2orl h ARG 91 N 1.00 0.49 -0.83 3.56 3.08 -1.02 -3.26 114.38 117.39 2orl h ARG 91 Ca 0.26 -0.40 0.19 0.00 0.07 0.00 0.00 59.98 60.11 2orl h ARG 91 Cb -0.05 0.09 -0.15 0.00 0.08 0.00 0.00 29.97 29.94 2orl h ARG 91 CO -0.05 1.03 -0.04 -0.91 -1.07 0.00 0.00 179.97 178.94 2orl h ASN 92 N 0.33 -0.48 -0.25 7.04 2.35 -0.76 0.67 115.58 124.49 2orl h ASN 92 Ca -0.04 0.23 -0.15 0.00 -0.55 0.00 0.00 56.30 55.80 2orl h ASN 92 Cb 1.34 0.42 -0.01 0.00 0.05 0.00 0.00 38.32 40.12 2orl h ASN 92 CO 0.13 -0.24 -0.38 -0.78 -1.65 0.00 0.00 177.43 174.51 2orl h ASP 93 N 0.06 0.84 -1.00 5.81 1.82 -1.63 -3.22 116.42 119.09 2orl h ASP 93 Ca 0.46 -0.37 0.07 0.00 -0.39 0.00 0.00 57.03 56.80 2orl h ASP 93 Cb 0.82 -0.23 -0.07 0.00 0.68 0.00 0.00 39.33 40.53 2orl h ASP 93 CO -0.77 1.12 0.65 -0.07 -1.61 0.00 0.00 179.24 178.55 2orl h LEU 94 N 0.65 1.02 0.14 2.28 3.38 -0.94 -2.62 115.31 119.22 2orl h LEU 94 Ca 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2orl h LEU 94 Cb 0.93 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2orl h LEU 94 CO 0.09 0.63 -0.07 0.40 0.09 0.00 0.00 178.44 179.58 2orl h ILE 95 N 1.15 0.95 -0.82 1.22 2.04 -1.37 -2.72 117.51 117.96 2orl h ILE 95 Ca 0.44 -0.35 0.15 0.00 1.00 0.00 0.00 64.86 66.10 2orl h ILE 95 Cb 0.22 1.17 -0.10 0.00 -0.74 0.00 0.00 36.82 37.37 2orl h ILE 95 CO -0.19 0.08 0.39 0.74 0.00 0.00 0.00 178.15 179.18 2orl h THR 96 N -0.35 0.70 0.66 -0.27 2.02 -1.52 0.38 112.91 114.51 2orl h THR 96 Ca -0.02 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 2orl h THR 96 Cb 0.28 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2orl h THR 96 CO 0.03 0.10 -0.32 0.22 0.37 0.00 0.00 175.52 175.93 2orl h TYR 97 N 0.56 -0.82 -0.20 3.16 3.20 -1.34 -0.01 116.97 121.52 2orl h TYR 97 Ca 0.45 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.31 2orl h TYR 97 Cb 0.66 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 2orl h TYR 97 CO -0.12 -0.49 0.11 1.25 -1.64 0.00 0.00 178.16 177.28 2orl h LEU 98 N -0.94 0.19 -0.84 2.82 5.85 -1.13 -2.46 115.31 118.80 2orl h LEU 98 Ca -0.09 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.78 2orl h LEU 98 Cb 0.69 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.59 2orl h LEU 98 CO 0.15 0.14 0.41 0.50 -0.34 0.00 0.00 178.44 179.29 2orl h LYS 99 N 0.24 0.55 -0.05 1.25 3.64 -0.26 -0.18 116.57 121.76 2orl h LYS 99 Ca 0.08 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 2orl h LYS 99 Cb -0.01 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2orl h LYS 99 CO -0.03 0.36 -0.39 -0.22 -2.27 0.00 0.00 179.45 176.90 2orl h LYS 100 N 0.57 0.10 0.14 1.90 1.63 -0.54 -1.19 116.57 119.18 2orl h LYS 100 Ca 0.46 -0.04 -0.28 0.00 -0.85 0.00 0.00 60.65 59.94 2orl h LYS 100 Cb 0.69 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.33 2orl h LYS 100 CO -0.39 0.48 -1.25 0.00 -3.45 0.00 0.00 179.45 174.84 2orl h ALA 101 N 1.52 0.08 0.21 5.00 0.00 -0.98 -3.35 119.26 121.75 2orl h ALA 101 Ca 0.01 -0.86 -0.32 0.00 0.00 0.00 0.00 54.91 53.74 2orl h ALA 101 Cb 0.73 0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.59 2orl h ALA 101 CO 0.05 0.89 -1.39 1.15 0.00 0.00 0.00 179.25 179.95 2orl h THR 102 N 0.11 1.29 0.00 0.00 2.02 -0.98 -3.47 112.91 111.87 2orl h THR 102 Ca -0.15 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.41 2orl h THR 102 Cb 1.96 2.95 0.00 0.00 -1.74 0.00 0.00 68.15 71.32 2orl h THR 102 CO 0.21 0.79 0.00 -1.84 0.37 0.00 0.00 175.52 175.05