#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 1.07 -2.11 -2.82 0.00 -1.26 -5.11 120.64 110.41 2orl n GLU -4 Ca 0.00 -3.48 -0.42 0.00 0.00 0.00 0.00 57.16 53.26 2orl n GLU -4 Cb 0.00 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 29.92 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 -1.75 2.46 -0.16 4.31 5.36 -1.26 -4.87 117.98 122.07 2orl s PHE -3 Ca 0.37 0.52 0.02 0.00 -0.96 0.00 0.00 56.93 56.88 2orl s PHE -3 Cb 0.22 -3.79 0.01 0.00 -0.34 0.00 0.00 43.02 39.12 2orl s PHE -3 CO -0.09 -3.14 -0.21 0.15 -1.46 0.00 0.00 175.22 170.47 2orl s LYS -2 N 3.13 3.01 0.39 10.12 1.02 -1.26 -5.11 119.74 131.04 2orl s LYS -2 Ca 0.68 -0.84 -0.25 0.00 0.02 0.00 0.00 55.97 55.58 2orl s LYS -2 Cb -0.33 -2.51 -0.11 0.00 -0.52 0.00 0.00 37.83 34.36 2orl s LYS -2 CO 0.27 -0.12 1.01 0.00 -0.92 0.00 0.00 175.35 175.60 2orl n ALA -1 N 4.36 0.13 -2.68 5.17 0.00 -1.26 -4.13 120.51 122.10 2orl n ALA -1 Ca -0.20 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2orl n ALA -1 Cb 0.51 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.89 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 1.18 4.09 3.54 0.00 0.00 -1.26 -4.85 105.19 107.89 2orl n GLY 1 Ca 0.09 -1.73 -0.16 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 0.35 -0.60 0.28 1.61 0.01 -1.26 -5.00 113.70 109.09 2orl s SER 2 Ca 0.00 0.68 0.02 0.00 1.31 0.00 0.00 55.95 57.97 2orl s SER 2 Cb 0.00 0.52 0.62 0.00 0.21 0.00 0.00 66.02 67.37 2orl s SER 2 CO 0.00 -0.54 1.79 0.00 0.41 0.00 0.00 173.24 174.90 2orl h ALA 3 N 2.99 1.51 0.00 1.44 0.00 -1.91 -1.47 119.26 121.82 2orl h ALA 3 Ca -0.25 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2orl h ALA 3 Cb 1.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2orl h ALA 3 CO 0.36 0.04 0.00 1.63 0.00 0.00 0.00 179.25 181.28 2orl n LYS 4 N -4.74 0.84 -0.00 0.00 4.76 -1.26 -2.88 118.16 114.88 2orl n LYS 4 Ca 0.20 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.60 2orl n LYS 4 Cb 0.46 -1.39 -0.01 0.00 -1.84 0.00 0.00 35.03 32.25 2orl n LYS 4 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2orl n LYS 5 N -0.89 0.15 0.17 1.97 5.02 -0.62 -4.62 118.16 119.35 2orl n LYS 5 Ca 0.16 0.06 0.17 0.00 -2.02 0.00 0.00 58.31 56.68 2orl n LYS 5 Cb 0.07 -0.76 0.78 0.00 -0.02 0.00 0.00 35.03 35.10 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 -0.28 0.00 0.91 0.72 0.00 -1.52 -2.60 103.07 100.30 2orl h GLY 6 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2orl h GLY 6 CO -0.03 0.00 0.03 0.00 0.00 0.00 0.00 176.54 176.54 2orl h ALA 7 N 1.77 0.07 -1.06 3.60 0.00 -1.76 -2.82 119.26 119.06 2orl h ALA 7 Ca 0.11 -0.05 0.28 0.00 0.00 0.00 0.00 54.91 55.25 2orl h ALA 7 Cb 0.56 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 2orl h ALA 7 CO -0.00 -0.38 0.67 1.79 0.00 0.00 0.00 179.25 181.33 2orl h THR 8 N -0.01 0.49 0.00 0.00 1.35 -1.72 0.43 112.91 113.45 2orl h THR 8 Ca 0.02 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 2orl h THR 8 Cb 0.09 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.58 2orl h THR 8 CO -0.00 0.07 0.00 0.18 -0.25 0.00 0.00 175.52 175.52 2orl n LEU 9 N -4.67 1.00 -0.33 3.87 7.99 -1.08 -3.50 117.00 120.29 2orl n LEU 9 Ca 0.27 0.30 0.29 0.00 -0.01 0.00 0.00 56.01 56.85 2orl n LEU 9 Cb 0.91 0.00 0.54 0.00 -0.11 0.00 0.00 43.42 44.76 2orl n LEU 9 CO 0.24 0.00 1.07 0.15 -1.51 0.00 0.00 177.39 177.34 2orl h PHE 10 N 0.00 0.83 0.00 -1.77 3.04 -1.52 0.86 116.94 118.38 2orl h PHE 10 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2orl h PHE 10 Cb 0.00 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.31 2orl h PHE 10 CO 0.00 -0.37 0.00 1.17 -2.02 0.00 0.00 178.31 177.09 2orl n LYS 11 N -5.20 0.17 -0.48 1.11 4.81 0.14 0.14 118.16 118.85 2orl n LYS 11 Ca 0.35 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.36 2orl n LYS 11 Cb 1.17 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 34.27 2orl n LYS 11 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 2orl n THR 12 N -2.29 0.00 -0.01 3.15 5.66 0.19 -4.48 114.28 116.50 2orl n THR 12 Ca -0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2orl n THR 12 Cb 0.11 0.49 0.00 0.00 -1.55 0.00 0.00 70.33 69.38 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 0.00 4.03 0.00 1.09 5.12 -0.56 -4.95 116.66 121.39 2orl n ARG 13 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2orl n ARG 13 Cb 0.68 -0.34 0.00 0.00 -1.16 0.00 0.00 32.46 31.64 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 0.46 -1.30 0.00 5.85 -0.53 -1.97 115.31 117.83 2orl h LEU 15 Ca 0.00 0.18 0.43 0.00 0.84 0.00 0.00 57.88 59.33 2orl h LEU 15 Cb 0.23 0.14 -0.14 0.00 0.37 0.00 0.00 40.66 41.26 2orl h LEU 15 CO 0.00 -0.15 0.78 0.06 -0.34 0.00 0.00 178.44 178.79 2orl h GLN 16 N 0.27 0.07 0.00 1.25 3.07 -1.85 -3.24 115.11 114.69 2orl h GLN 16 Ca 0.75 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.48 2orl h GLN 16 Cb 1.83 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 29.37 2orl h GLN 16 CO -0.57 0.05 -0.76 0.00 0.09 0.00 0.00 178.83 177.64 2orl s HIS 18 N -1.76 2.56 -0.08 0.00 3.76 -0.85 -0.96 115.29 117.95 2orl s HIS 18 Ca 0.00 -0.17 0.00 0.00 -0.15 0.00 0.00 55.06 54.74 2orl s HIS 18 Cb 0.00 -2.68 0.02 0.00 1.11 0.00 0.00 32.58 31.03 2orl s HIS 18 CO 0.00 -0.93 -0.06 0.95 -0.85 0.00 0.00 174.74 173.85 2orl s THR 19 N -2.73 0.80 0.15 1.30 -4.23 -1.26 -4.52 115.64 105.15 2orl s THR 19 Ca 0.58 -0.19 0.11 0.00 -1.18 0.00 0.00 61.69 61.01 2orl s THR 19 Cb -0.09 -0.83 -0.07 0.00 1.34 0.00 0.00 72.50 72.85 2orl s THR 19 CO 0.38 0.31 1.48 1.62 -0.54 0.00 0.00 174.62 177.88 2orl h VAL 20 N 6.17 1.41 -4.78 2.29 3.04 -1.96 -2.80 116.25 119.62 2orl h VAL 20 Ca -0.29 -2.56 -0.35 0.00 -1.01 0.00 0.00 66.70 62.49 2orl h VAL 20 Cb 1.14 2.42 -0.05 0.00 -2.01 0.00 0.00 31.29 32.80 2orl h VAL 20 CO 0.40 0.71 -0.21 -1.84 -1.01 0.00 0.00 177.57 175.61 2orl n GLU 21 N -3.53 1.20 -0.81 4.17 -0.00 -1.26 -3.96 120.64 116.45 2orl n GLU 21 Ca -0.00 -1.98 0.07 0.00 -0.00 0.00 0.00 57.16 55.24 2orl n GLU 21 Cb 0.74 0.40 0.37 0.00 -0.00 0.00 0.00 31.44 32.95 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 -0.93 4.43 0.02 3.44 5.02 -1.26 -4.43 118.16 124.44 2orl n LYS 22 Ca -0.07 -3.10 0.06 0.00 -2.02 0.00 0.00 58.31 53.17 2orl n LYS 22 Cb 0.35 -2.18 -0.11 0.00 -0.02 0.00 0.00 35.03 33.08 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 0.33 -1.16 3.69 0.72 0.00 -1.26 -4.90 105.19 102.61 2orl n GLY 23 Ca 0.27 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 -4.68 2.29 0.75 -0.02 0.00 -1.26 -5.07 107.32 99.33 2orl s GLY 24 Ca -0.05 -0.19 -0.15 0.00 0.00 0.00 0.00 44.72 44.34 2orl s GLY 24 CO 0.85 1.05 1.22 2.56 0.00 0.00 0.00 173.10 178.78 2orl s PRO 25 N 1.19 1.97 0.15 2.90 0.04 -1.26 -4.90 135.00 135.09 2orl s PRO 25 Ca 0.29 1.79 -0.32 0.00 0.04 0.00 0.00 61.00 62.79 2orl s PRO 25 Cb -0.16 -1.81 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 2orl s PRO 25 CO 0.12 -1.97 1.72 0.72 0.04 0.00 0.00 177.00 177.63 2orl n HIS 26 N -2.88 2.56 0.00 0.56 8.25 -1.26 -4.92 115.22 117.53 2orl n HIS 26 Ca 0.14 0.05 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2orl n HIS 26 Cb 0.50 -2.65 0.00 0.00 1.12 0.00 0.00 29.99 28.96 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 4.43 1.97 0.28 -0.41 4.81 -1.25 -4.96 118.16 123.03 2orl n LYS 27 Ca 0.17 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.76 2orl n LYS 27 Cb 0.33 0.00 0.81 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 0.38 -3.54 3.15 2.07 -1.82 -3.43 116.25 113.05 2orl h VAL 28 Ca 0.00 -0.43 -0.55 0.00 0.82 0.00 0.00 66.70 66.53 2orl h VAL 28 Cb 0.00 1.31 -0.19 0.00 -1.52 0.00 0.00 31.29 30.89 2orl h VAL 28 CO 0.00 0.08 -0.81 -0.83 0.02 0.00 0.00 177.57 176.03 2orl s GLY 29 N -4.18 1.38 0.71 2.17 0.00 -0.14 -4.97 107.32 102.28 2orl s GLY 29 Ca -0.03 -1.42 -0.13 0.00 0.00 0.00 0.00 44.72 43.15 2orl s GLY 29 CO 0.55 -1.44 1.10 2.56 0.00 0.00 0.00 173.10 175.86 2orl s PRO 30 N -2.43 2.55 -0.04 2.90 0.04 -1.26 -4.39 135.00 132.37 2orl s PRO 30 Ca 0.13 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.14 2orl s PRO 30 Cb -0.08 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 2orl s PRO 30 CO 0.06 -1.43 1.44 1.21 0.04 0.00 0.00 177.00 178.32 2orl s ASN 31 N -3.01 6.82 0.22 6.66 3.84 -1.26 -4.26 114.94 123.95 2orl s ASN 31 Ca 0.64 2.08 0.24 0.00 0.21 0.00 0.00 52.86 56.03 2orl s ASN 31 Cb -0.19 -2.55 0.34 0.00 -0.55 0.00 0.00 41.25 38.31 2orl s ASN 31 CO 0.49 -0.77 1.39 -0.07 -2.79 0.00 0.00 177.10 175.34 2orl h LEU 32 N 8.96 0.00 -8.46 3.21 3.38 -1.82 -3.43 115.31 117.15 2orl h LEU 32 Ca -0.36 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.31 2orl h LEU 32 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2orl h LEU 32 CO 0.92 0.04 0.78 1.57 0.09 0.00 0.00 178.44 181.84 2orl n HIS 33 N -2.47 1.28 0.00 1.13 -0.00 -1.25 -1.58 115.22 112.34 2orl n HIS 33 Ca 0.03 0.05 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2orl n HIS 33 Cb 0.48 -2.62 0.00 0.00 -0.12 0.00 0.00 29.99 27.73 2orl n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2orl n GLY 34 N 6.44 0.96 0.31 1.57 0.00 -1.26 -4.93 105.19 108.27 2orl n GLY 34 Ca 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.40 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 1.24 -1.49 -0.61 3.07 -1.62 -3.41 117.51 114.70 2orl h ILE 35 Ca 0.00 -0.89 -0.58 0.00 1.55 0.00 0.00 64.86 64.94 2orl h ILE 35 Cb 0.00 0.62 -0.01 0.00 -0.27 0.00 0.00 36.82 37.16 2orl h ILE 35 CO 0.00 0.34 1.52 0.49 -1.05 0.00 0.00 178.15 179.44 2orl n PHE 36 N -4.25 1.64 0.00 0.16 3.72 -1.26 -0.70 117.46 116.76 2orl n PHE 36 Ca 0.04 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 2orl n PHE 36 Cb 0.24 -2.62 0.00 0.00 -0.94 0.00 0.00 39.48 36.16 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 6.13 0.96 3.93 1.37 0.00 -0.59 -5.05 105.19 111.93 2orl n GLY 37 Ca 0.37 0.00 -0.21 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 -0.55 2.50 0.46 1.61 0.52 0.12 -4.87 118.95 118.73 2orl s ARG 38 Ca 0.00 -1.59 -0.01 0.00 -0.52 0.00 0.00 55.73 53.61 2orl s ARG 38 Cb 0.00 -2.43 -0.01 0.00 0.52 0.00 0.00 34.95 33.03 2orl s ARG 38 CO 0.00 -0.39 0.70 -1.01 0.02 0.00 0.00 175.30 174.63 2orl s HIS 39 N -2.54 3.31 0.47 -0.53 3.76 -1.26 -1.42 115.29 117.10 2orl s HIS 39 Ca 0.49 0.39 -0.24 0.00 -0.15 0.00 0.00 55.06 55.55 2orl s HIS 39 Cb -0.05 -2.32 -0.08 0.00 1.11 0.00 0.00 32.58 31.25 2orl s HIS 39 CO 0.29 -0.35 1.21 0.43 -0.85 0.00 0.00 174.74 175.48 2orl n SER 40 N -2.14 2.17 -1.78 1.40 7.64 0.12 -3.83 113.62 117.19 2orl n SER 40 Ca 0.01 1.03 -0.06 0.00 1.01 0.00 0.00 58.87 60.85 2orl n SER 40 Cb 0.57 -1.48 0.03 0.00 -1.01 0.00 0.00 64.21 62.32 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 0.91 0.21 0.28 0.23 0.00 -1.26 -4.62 105.19 100.95 2orl n GLY 41 Ca 0.09 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.06 2.59 -1.73 1.61 6.02 -1.25 -4.93 117.38 117.62 2orl n GLN 42 Ca -0.08 -2.04 -0.42 0.00 -0.01 0.00 0.00 57.00 54.45 2orl n GLN 42 Cb 0.55 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 30.50 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 -1.64 3.59 -1.12 -1.58 0.00 -1.26 -4.90 121.76 114.85 2orl s ALA 43 Ca 0.18 1.26 -0.21 0.00 0.00 0.00 0.00 51.96 53.19 2orl s ALA 43 Cb 0.13 -3.83 -0.06 0.00 0.00 0.00 0.00 23.12 19.36 2orl s ALA 43 CO 0.06 -1.54 1.93 0.39 0.00 0.00 0.00 175.76 176.59 2orl n GLU 44 N 7.44 2.02 0.00 0.00 4.71 -1.26 -3.09 120.64 130.47 2orl n GLU 44 Ca 0.19 -2.46 0.00 0.00 -0.01 0.00 0.00 57.16 54.88 2orl n GLU 44 Cb 0.41 -3.40 0.00 0.00 -1.01 0.00 0.00 31.44 27.44 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 5.16 0.92 3.34 0.62 0.00 -1.26 -5.05 105.19 108.93 2orl n GLY 45 Ca 0.48 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 2.60 0.30 1.61 6.14 -1.18 -5.04 117.35 121.79 2orl s TYR 46 Ca 0.00 -0.57 -0.18 0.00 0.64 0.00 0.00 57.07 56.96 2orl s TYR 46 Cb 0.00 -1.67 -0.09 0.00 0.42 0.00 0.00 41.96 40.62 2orl s TYR 46 CO 0.00 -0.12 0.78 -1.12 0.64 0.00 0.00 175.55 175.73 2orl s SER 47 N -0.16 6.94 0.33 4.32 0.01 -1.26 -4.53 113.70 119.34 2orl s SER 47 Ca -0.02 1.42 0.08 0.00 1.31 0.00 0.00 55.95 58.74 2orl s SER 47 Cb -0.14 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2orl s SER 47 CO 0.04 -0.13 0.18 -0.31 0.41 0.00 0.00 173.24 173.42 2orl s TYR 48 N -1.82 2.79 0.75 2.43 2.02 -1.26 -5.00 117.35 117.25 2orl s TYR 48 Ca 0.51 -0.33 -0.11 0.00 -0.37 0.00 0.00 57.07 56.77 2orl s TYR 48 Cb -0.13 -1.64 0.04 0.00 -0.40 0.00 0.00 41.96 39.83 2orl s TYR 48 CO 0.19 0.32 1.08 0.95 -1.57 0.00 0.00 175.55 176.52 2orl s THR 49 N -2.37 3.47 0.42 -0.71 -4.23 -1.26 -4.91 115.64 106.05 2orl s THR 49 Ca 0.38 0.48 0.14 0.00 -1.18 0.00 0.00 61.69 61.51 2orl s THR 49 Cb -0.04 -3.27 0.35 0.00 1.34 0.00 0.00 72.50 70.87 2orl s THR 49 CO 0.24 -0.62 1.92 -0.78 -0.54 0.00 0.00 174.62 174.83 2orl h ASP 50 N -0.89 0.43 0.59 3.99 3.58 -1.97 -2.63 116.42 119.54 2orl h ASP 50 Ca -0.46 0.02 -0.28 0.00 0.42 0.00 0.00 57.03 56.74 2orl h ASP 50 Cb 1.25 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.22 2orl h ASP 50 CO 0.59 0.23 -1.42 0.00 -2.88 0.00 0.00 179.24 175.77 2orl h ALA 51 N 1.64 0.35 -0.16 -0.78 0.00 -1.93 -3.22 119.26 115.16 2orl h ALA 51 Ca 0.37 -1.10 -0.20 0.00 0.00 0.00 0.00 54.91 53.98 2orl h ALA 51 Cb 0.79 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2orl h ALA 51 CO -0.13 1.22 -0.71 -0.97 0.00 0.00 0.00 179.25 178.66 2orl h ASN 52 N 0.04 0.81 0.16 0.00 -0.73 -1.82 -3.12 115.58 110.92 2orl h ASN 52 Ca -0.19 -0.51 -0.01 0.00 1.87 0.00 0.00 56.30 57.47 2orl h ASN 52 Cb 1.96 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 40.31 2orl h ASN 52 CO 0.15 1.29 -0.07 0.40 -0.37 0.00 0.00 177.43 178.82 2orl h ILE 53 N 0.49 0.00 -0.27 2.57 2.04 -1.66 -2.95 117.51 117.73 2orl h ILE 53 Ca -0.03 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.81 2orl h ILE 53 Cb 1.32 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2orl h ILE 53 CO 0.14 0.00 0.92 0.29 0.00 0.00 0.00 178.15 179.50 2orl n LYS 54 N -2.82 0.02 0.07 2.37 5.02 -1.21 -0.96 118.16 120.64 2orl n LYS 54 Ca -0.03 0.83 -0.12 0.00 -2.02 0.00 0.00 58.31 56.98 2orl n LYS 54 Cb 0.08 -2.20 -0.02 0.00 -0.02 0.00 0.00 35.03 32.87 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 0.37 -5.84 1.97 1.63 -1.45 -3.48 116.57 109.78 2orl h LYS 55 Ca 0.13 -0.38 -0.26 0.00 -0.85 0.00 0.00 60.65 59.29 2orl h LYS 55 Cb 1.96 0.10 -0.15 0.00 -0.60 0.00 0.00 32.23 33.55 2orl h LYS 55 CO -0.00 1.05 -0.37 -1.71 -3.45 0.00 0.00 179.45 174.97 2orl n ASN 56 N -3.75 -1.47 -4.73 4.20 2.85 -0.14 -4.90 115.26 107.32 2orl n ASN 56 Ca -0.06 -0.20 -0.42 0.00 -0.11 0.00 0.00 54.58 53.79 2orl n ASN 56 Cb 0.80 -1.35 -0.03 0.00 1.24 0.00 0.00 39.78 40.44 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 -2.52 2.95 -0.66 3.44 0.11 -1.26 -4.41 120.40 118.04 2orl s VAL 57 Ca 0.34 0.73 -0.22 0.00 -2.93 0.00 0.00 61.98 59.89 2orl s VAL 57 Cb -0.19 -3.47 0.07 0.00 -1.53 0.00 0.00 36.38 31.26 2orl s VAL 57 CO 0.41 0.09 0.97 -0.22 -3.33 0.00 0.00 175.10 173.01 2orl s LEU 58 N 0.43 4.39 -0.34 2.54 0.20 -1.26 0.10 118.68 124.75 2orl s LEU 58 Ca 0.63 -1.01 -0.31 0.00 0.69 0.00 0.00 54.13 54.13 2orl s LEU 58 Cb -0.40 -2.42 -0.09 0.00 -0.43 0.00 0.00 46.19 42.86 2orl s LEU 58 CO 0.36 -1.44 2.25 0.79 -0.29 0.00 0.00 176.35 178.02 2orl n TRP 59 N 7.70 1.69 -4.02 5.38 5.03 -0.51 -4.89 117.44 127.82 2orl n TRP 59 Ca -0.03 0.09 -0.14 0.00 3.03 0.00 0.00 57.50 60.45 2orl n TRP 59 Cb 0.45 -2.62 -0.02 0.00 -1.03 0.00 0.00 31.31 28.10 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 11.45 2.25 0.12 -0.99 2.03 -1.26 -1.54 116.55 128.60 2orl n ASP 60 Ca 0.37 -1.99 -0.14 0.00 0.52 0.00 0.00 54.79 53.56 2orl n ASP 60 Cb 0.35 0.07 -0.08 0.00 -0.72 0.00 0.00 41.12 40.75 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 -0.23 0.08 -0.67 4.57 -2.01 -2.32 114.58 114.00 2orl h GLU 61 Ca -0.19 0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 57.87 2orl h GLU 61 Cb 0.61 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2orl h GLU 61 CO 0.30 -0.08 -0.58 -0.97 -1.18 0.00 0.00 179.01 176.49 2orl h ASN 62 N -0.32 0.37 -0.49 1.04 -1.24 -1.98 -3.35 115.58 109.61 2orl h ASN 62 Ca -0.02 -0.91 0.10 0.00 0.71 0.00 0.00 56.30 56.17 2orl h ASN 62 Cb 0.25 -0.12 -0.09 0.00 0.73 0.00 0.00 38.32 39.09 2orl h ASN 62 CO 0.04 1.25 -0.07 -1.13 -1.29 0.00 0.00 177.43 176.23 2orl h ASN 63 N -0.45 -0.36 -0.98 1.15 -0.00 -1.90 -1.39 115.58 111.65 2orl h ASN 63 Ca -0.10 0.14 0.10 0.00 -0.00 0.00 0.00 56.30 56.44 2orl h ASN 63 Cb 1.42 0.27 -0.07 0.00 -0.00 0.00 0.00 38.32 39.93 2orl h ASN 63 CO 0.11 -0.13 0.62 -0.03 -0.00 0.00 0.00 177.43 178.01 2orl h MET 64 N 0.04 0.99 -0.81 6.67 4.05 -1.57 -2.15 114.93 122.15 2orl h MET 64 Ca 0.24 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.59 2orl h MET 64 Cb 0.37 -0.22 -0.04 0.00 -0.80 0.00 0.00 31.60 30.91 2orl h MET 64 CO -0.47 0.65 0.46 0.77 0.23 0.00 0.00 176.91 178.56 2orl h SER 65 N 1.02 1.00 -0.26 1.39 0.02 -1.39 -2.63 113.55 112.71 2orl h SER 65 Ca 0.46 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.40 2orl h SER 65 Cb 0.38 -0.25 -0.07 0.00 0.14 0.00 0.00 62.40 62.60 2orl h SER 65 CO -0.22 0.79 -0.22 -0.33 -1.14 0.00 0.00 176.83 175.71 2orl h GLU 66 N 1.13 -0.21 -0.82 3.45 5.08 -1.05 -2.49 114.58 119.67 2orl h GLU 66 Ca 0.29 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.64 2orl h GLU 66 Cb 0.00 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2orl h GLU 66 CO -0.05 -0.14 0.40 -0.92 -1.00 0.00 0.00 179.01 177.30 2orl h TYR 67 N -0.22 1.17 -0.95 4.33 3.20 -1.49 -3.10 116.97 119.91 2orl h TYR 67 Ca 0.14 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.97 2orl h TYR 67 Cb 0.44 -0.36 -0.05 0.00 1.54 0.00 0.00 36.73 38.30 2orl h TYR 67 CO -0.39 0.84 0.61 -0.07 -1.64 0.00 0.00 178.16 177.52 2orl h LEU 68 N 1.16 1.11 -1.30 2.82 3.38 -1.09 -1.02 115.31 120.37 2orl h LEU 68 Ca 0.28 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 2orl h LEU 68 Cb 0.10 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2orl h LEU 68 CO -0.04 0.82 -0.06 0.74 0.09 0.00 0.00 178.44 179.99 2orl h THR 69 N 1.30 1.19 -0.67 0.22 2.02 -1.43 0.04 112.91 115.58 2orl h THR 69 Ca 0.35 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 2orl h THR 69 Cb -0.12 1.06 -0.18 0.00 -1.74 0.00 0.00 68.15 67.17 2orl h THR 69 CO -0.07 0.26 -0.32 0.21 0.37 0.00 0.00 175.52 175.97 2orl s ASN 70 N -6.80 -1.02 0.08 4.18 2.47 -1.04 -3.92 114.94 108.89 2orl s ASN 70 Ca -0.07 -0.69 -0.23 0.00 0.42 0.00 0.00 52.86 52.29 2orl s ASN 70 Cb 0.15 1.31 -0.15 0.00 -1.45 0.00 0.00 41.25 41.12 2orl s ASN 70 CO 0.75 -0.09 1.69 1.55 -3.72 0.00 0.00 177.10 177.28 2orl h PRO 71 N 5.91 0.03 -0.56 0.43 0.13 -1.44 -2.25 132.00 134.25 2orl h PRO 71 Ca 0.02 -0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.20 2orl h PRO 71 Cb 1.18 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2orl h PRO 71 CO 0.01 0.08 0.37 0.87 -0.23 0.00 0.00 178.00 179.10 2orl h LYS 72 N -0.03 0.55 -0.04 0.86 1.57 -1.83 0.08 116.57 117.73 2orl h LYS 72 Ca 0.01 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.50 2orl h LYS 72 Cb 0.06 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.26 2orl h LYS 72 CO -0.00 0.36 -0.96 -0.22 -0.57 0.00 0.00 179.45 178.06 2orl h LYS 73 N 0.57 0.68 -0.32 3.15 1.63 -1.92 -3.11 116.57 117.24 2orl h LYS 73 Ca 0.23 -0.68 -0.17 0.00 -0.85 0.00 0.00 60.65 59.19 2orl h LYS 73 Cb 0.21 0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 32.02 2orl h LYS 73 CO -0.07 1.27 -0.46 -0.92 -3.45 0.00 0.00 179.45 175.83 2orl h TYR 74 N 0.41 1.05 -3.05 1.91 3.20 -0.95 -3.40 116.97 116.12 2orl h TYR 74 Ca -0.10 -0.34 -0.58 0.00 3.14 0.00 0.00 58.73 60.85 2orl h TYR 74 Cb 1.61 -0.21 -0.40 0.00 1.54 0.00 0.00 36.73 39.27 2orl h TYR 74 CO 0.09 1.15 -0.76 0.42 -1.64 0.00 0.00 178.16 177.42 2orl s ILE 75 N -4.26 0.84 -0.09 1.81 1.01 -0.03 -5.11 121.20 115.37 2orl s ILE 75 Ca -0.10 -1.58 -0.29 0.00 0.00 0.00 0.00 60.65 58.68 2orl s ILE 75 Cb 0.11 -1.63 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 2orl s ILE 75 CO 0.88 -0.74 1.69 -2.16 0.00 0.00 0.00 174.94 174.60 2orl s PRO 76 N 1.39 4.05 0.00 2.79 0.04 -1.17 -2.80 135.00 139.29 2orl s PRO 76 Ca 0.12 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.25 2orl s PRO 76 Cb -0.19 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.33 2orl s PRO 76 CO -0.20 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.25 2orl n GLY 77 N 4.34 0.78 3.67 0.56 0.00 -1.26 -4.72 105.19 108.56 2orl n GLY 77 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2orl n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2orl n THR 78 N -0.96 2.13 0.25 2.61 5.66 -1.12 -4.93 114.28 117.92 2orl n THR 78 Ca 0.00 -0.50 0.14 0.00 -3.05 0.00 0.00 64.05 60.64 2orl n THR 78 Cb 0.00 -1.43 0.59 0.00 -1.55 0.00 0.00 70.33 67.93 2orl n THR 78 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2orl h LYS 79 N 2.28 0.00 -6.10 1.09 1.57 -1.99 -3.43 116.57 109.99 2orl h LYS 79 Ca -0.45 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.80 2orl h LYS 79 Cb 1.30 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.58 2orl h LYS 79 CO 0.61 0.10 1.33 1.41 -0.57 0.00 0.00 179.45 182.33 2orl s MET 80 N -3.68 2.93 -0.14 3.15 1.75 -1.26 -4.85 119.30 117.20 2orl s MET 80 Ca 0.01 1.03 0.12 0.00 -1.25 0.00 0.00 55.69 55.59 2orl s MET 80 Cb 0.10 -4.30 0.60 0.00 2.84 0.00 0.00 34.83 34.06 2orl s MET 80 CO 0.59 -2.34 1.44 0.00 -0.65 0.00 0.00 175.02 174.05 2orl n ALA 81 N 11.74 3.33 0.32 4.11 0.00 -1.26 -4.59 120.51 134.17 2orl n ALA 81 Ca 0.22 -1.35 0.19 0.00 0.00 0.00 0.00 53.44 52.50 2orl n ALA 81 Cb 0.50 -1.07 1.02 0.00 0.00 0.00 0.00 19.45 19.90 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 3.06 0.00 0.00 0.00 3.57 -1.98 -3.46 116.94 118.13 2orl h PHE 82 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2orl h PHE 82 Cb 1.45 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.19 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 -1.15 2.17 0.10 2.40 0.00 -1.26 -4.84 105.19 102.60 2orl n GLY 83 Ca -0.02 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.07 3.55 -0.02 0.00 -1.26 -4.75 105.19 102.78 2orl n GLY 84 Ca 0.00 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.08 3.25 0.00 0.99 1.43 0.00 -4.77 118.68 119.50 2orl s LEU 85 Ca 0.00 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 2orl s LEU 85 Cb 0.00 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.67 2orl s LEU 85 CO 0.00 -2.20 0.39 0.29 0.23 0.00 0.00 176.35 175.06 2orl n LYS 86 N 9.18 0.64 -3.90 1.70 4.76 -1.26 -4.03 118.16 125.25 2orl n LYS 86 Ca 0.19 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.30 2orl n LYS 86 Cb 0.50 -1.25 -0.13 0.00 -1.84 0.00 0.00 35.03 32.32 2orl n LYS 86 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2orl s LYS 87 N -1.23 1.91 0.20 1.97 -2.85 -1.26 -5.01 119.74 113.47 2orl s LYS 87 Ca 0.00 -2.19 -0.13 0.00 -1.00 0.00 0.00 55.97 52.64 2orl s LYS 87 Cb 0.00 -3.40 0.22 0.00 -2.06 0.00 0.00 37.83 32.59 2orl s LYS 87 CO 0.00 -1.06 1.66 1.49 0.10 0.00 0.00 175.35 177.54 2orl h GLU 88 N 7.28 0.06 -0.56 1.78 4.81 -2.01 -2.36 114.58 123.58 2orl h GLU 88 Ca -0.07 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2orl h GLU 88 Cb 0.98 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 2orl h GLU 88 CO 0.64 0.04 0.26 0.87 -0.73 0.00 0.00 179.01 180.08 2orl h LYS 89 N 0.06 0.47 -0.43 1.92 1.79 -1.95 -2.30 116.57 116.13 2orl h LYS 89 Ca 0.28 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.78 2orl h LYS 89 Cb 0.44 -0.11 -0.05 0.00 -1.58 0.00 0.00 32.23 30.93 2orl h LYS 89 CO -0.52 0.31 0.13 0.22 -1.08 0.00 0.00 179.45 178.51 2orl h ASP 90 N 0.49 0.10 -0.41 0.86 3.58 -1.86 -1.88 116.42 117.30 2orl h ASP 90 Ca 0.26 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.75 2orl h ASP 90 Cb 0.22 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.31 2orl h ASP 90 CO -0.21 0.09 0.22 0.03 -2.88 0.00 0.00 179.24 176.49 2orl h ARG 91 N 0.28 0.61 -0.50 0.28 3.08 -1.11 -3.04 114.38 113.97 2orl h ARG 91 Ca 0.20 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.26 2orl h ARG 91 Cb 0.22 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.05 2orl h ARG 91 CO -0.23 0.47 -0.49 -0.91 -1.07 0.00 0.00 179.97 177.75 2orl h ASN 92 N 0.62 -1.66 -0.62 7.04 2.35 -0.95 -1.12 115.58 121.24 2orl h ASN 92 Ca 0.16 0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 56.10 2orl h ASN 92 Cb 0.06 0.72 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 2orl h ASN 92 CO -0.02 -0.36 0.19 -0.78 -1.65 0.00 0.00 177.43 174.80 2orl h ASP 93 N -0.30 0.93 -0.93 5.81 1.82 -1.61 -2.97 116.42 119.17 2orl h ASP 93 Ca 0.13 -0.17 0.14 0.00 -0.39 0.00 0.00 57.03 56.75 2orl h ASP 93 Cb 0.57 -0.24 -0.08 0.00 0.68 0.00 0.00 39.33 40.27 2orl h ASP 93 CO -0.65 0.87 0.59 -0.07 -1.61 0.00 0.00 179.24 178.38 2orl h LEU 94 N 0.96 0.72 0.14 2.28 3.38 -1.14 -2.49 115.31 119.16 2orl h LEU 94 Ca 0.21 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 2orl h LEU 94 Cb 0.29 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2orl h LEU 94 CO -0.01 0.36 -0.07 0.40 0.09 0.00 0.00 178.44 179.22 2orl h ILE 95 N 0.76 0.93 -0.80 1.22 2.04 -1.12 -2.50 117.51 118.04 2orl h ILE 95 Ca 0.47 -0.26 0.13 0.00 1.00 0.00 0.00 64.86 66.20 2orl h ILE 95 Cb 0.69 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.77 2orl h ILE 95 CO -0.23 0.06 0.39 0.74 0.00 0.00 0.00 178.15 179.11 2orl h THR 96 N -0.31 0.74 0.40 -0.27 2.02 -1.51 0.40 112.91 114.37 2orl h THR 96 Ca -0.02 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2orl h THR 96 Cb 0.25 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2orl h THR 96 CO 0.03 0.11 -0.19 0.22 0.37 0.00 0.00 175.52 176.06 2orl h TYR 97 N 0.58 -0.49 -0.47 3.16 3.20 -1.39 -0.40 116.97 121.15 2orl h TYR 97 Ca 0.43 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.29 2orl h TYR 97 Cb 0.58 0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.99 2orl h TYR 97 CO -0.11 -0.20 0.31 1.25 -1.64 0.00 0.00 178.16 177.77 2orl h LEU 98 N -0.75 0.53 -1.13 2.82 5.85 -1.05 -2.40 115.31 119.18 2orl h LEU 98 Ca -0.05 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2orl h LEU 98 Cb 0.52 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2orl h LEU 98 CO 0.09 0.38 0.59 0.50 -0.34 0.00 0.00 178.44 179.67 2orl h LYS 99 N 0.63 1.08 -0.05 1.25 3.64 -0.23 -1.54 116.57 121.34 2orl h LYS 99 Ca 0.17 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 2orl h LYS 99 Cb -0.07 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.49 2orl h LYS 99 CO -0.04 0.71 -0.50 -0.22 -2.27 0.00 0.00 179.45 177.13 2orl h LYS 100 N 1.11 0.12 0.12 1.90 1.63 -0.59 -1.41 116.57 119.46 2orl h LYS 100 Ca 0.37 -0.07 -0.28 0.00 -0.85 0.00 0.00 60.65 59.82 2orl h LYS 100 Cb 0.06 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2orl h LYS 100 CO -0.12 0.60 -1.22 0.00 -3.45 0.00 0.00 179.45 175.26 2orl h ALA 101 N 1.39 0.09 0.23 5.00 0.00 -1.14 -3.35 119.26 121.49 2orl h ALA 101 Ca 0.00 -0.83 -0.31 0.00 0.00 0.00 0.00 54.91 53.77 2orl h ALA 101 Cb 0.92 0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.79 2orl h ALA 101 CO 0.07 0.86 -1.35 1.15 0.00 0.00 0.00 179.25 179.99 2orl h THR 102 N 0.14 1.33 0.00 0.00 2.02 -1.28 -3.48 112.91 111.64 2orl h THR 102 Ca -0.15 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.37 2orl h THR 102 Cb 1.92 3.07 0.00 0.00 -1.74 0.00 0.00 68.15 71.40 2orl h THR 102 CO 0.21 0.79 0.00 -1.84 0.37 0.00 0.00 175.52 175.05