#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 3.32 -1.33 -2.82 0.00 -1.26 -5.09 120.64 113.46 2orl n GLU -4 Ca 0.00 -4.77 -0.32 0.00 0.00 0.00 0.00 57.16 52.07 2orl n GLU -4 Cb 0.00 -2.25 0.09 0.00 0.00 0.00 0.00 31.44 29.29 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 -3.51 2.29 -0.29 4.31 5.36 -1.26 -4.86 117.98 120.02 2orl s PHE -3 Ca 0.49 1.61 -0.15 0.00 -0.96 0.00 0.00 56.93 57.92 2orl s PHE -3 Cb 0.31 -3.24 0.12 0.00 -0.34 0.00 0.00 43.02 39.87 2orl s PHE -3 CO -0.15 -2.14 0.79 0.21 -1.46 0.00 0.00 175.22 172.46 2orl s LYS -2 N -4.40 0.55 0.45 10.12 2.20 -1.26 -5.14 119.74 122.26 2orl s LYS -2 Ca 0.67 1.06 -0.25 0.00 -0.36 0.00 0.00 55.97 57.10 2orl s LYS -2 Cb -0.22 0.28 -0.09 0.00 -1.51 0.00 0.00 37.83 36.29 2orl s LYS -2 CO 0.50 -0.13 1.25 0.00 -0.36 0.00 0.00 175.35 176.60 2orl n ALA -1 N 4.42 1.21 -2.47 3.13 0.00 -1.26 -4.28 120.51 121.26 2orl n ALA -1 Ca -0.17 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2orl n ALA -1 Cb 0.56 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.75 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 0.85 3.44 3.53 0.00 0.00 -1.26 -4.85 105.19 106.90 2orl n GLY 1 Ca 0.08 -1.71 -0.14 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 -0.06 -0.65 0.38 1.61 0.01 -1.26 -5.00 113.70 108.72 2orl s SER 2 Ca 0.00 1.23 0.17 0.00 1.31 0.00 0.00 55.95 58.66 2orl s SER 2 Cb 0.00 1.24 1.09 0.00 0.21 0.00 0.00 66.02 68.56 2orl s SER 2 CO 0.00 -0.23 1.74 0.00 0.41 0.00 0.00 173.24 175.16 2orl h ALA 3 N 5.06 2.17 -0.00 1.44 0.00 -1.90 0.46 119.26 126.48 2orl h ALA 3 Ca -0.28 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2orl h ALA 3 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2orl h ALA 3 CO 0.12 -0.62 0.00 1.17 0.00 0.00 0.00 179.25 179.92 2orl n LYS 4 N -4.72 1.01 -0.01 0.00 4.81 -1.26 -2.88 118.16 115.11 2orl n LYS 4 Ca 0.27 -0.01 -0.05 0.00 -0.87 0.00 0.00 58.31 57.65 2orl n LYS 4 Cb 0.91 -1.33 -0.02 0.00 0.02 0.00 0.00 35.03 34.61 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 -0.81 0.14 0.19 1.64 5.02 0.11 -4.57 118.16 119.87 2orl n LYS 5 Ca 0.16 0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.63 2orl n LYS 5 Cb 0.08 -0.74 0.69 0.00 -0.02 0.00 0.00 35.03 35.04 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 -0.25 0.00 0.95 0.72 0.00 -1.58 -2.74 103.07 100.17 2orl h GLY 6 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 2orl h GLY 6 CO -0.05 0.00 0.02 0.00 0.00 0.00 0.00 176.54 176.51 2orl h ALA 7 N 1.92 0.05 -0.97 3.60 0.00 -1.77 -2.82 119.26 119.27 2orl h ALA 7 Ca 0.07 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.18 2orl h ALA 7 Cb 0.29 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2orl h ALA 7 CO -0.00 -0.43 0.63 1.79 0.00 0.00 0.00 179.25 181.25 2orl h THR 8 N -0.01 0.62 0.00 0.00 1.35 -1.73 -0.86 112.91 112.29 2orl h THR 8 Ca 0.01 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 2orl h THR 8 Cb 0.05 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 66.65 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 -4.55 0.95 -0.33 3.87 7.99 -1.07 -3.62 117.00 120.24 2orl n LEU 9 Ca 0.22 0.30 0.29 0.00 -0.01 0.00 0.00 56.01 56.81 2orl n LEU 9 Cb 0.78 0.00 0.55 0.00 -0.11 0.00 0.00 43.42 44.64 2orl n LEU 9 CO 0.29 0.00 1.08 0.15 -1.51 0.00 0.00 177.39 177.40 2orl h PHE 10 N 0.00 0.86 0.00 -1.77 3.04 -1.56 0.84 116.94 118.35 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 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.30 2orl h PHE 10 CO 0.00 -0.37 0.00 -0.22 -2.02 0.00 0.00 178.31 175.70 2orl h LYS 11 N 0.11 0.00 0.00 1.11 3.64 -1.25 0.36 116.57 120.54 2orl h LYS 11 Ca 0.81 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 60.19 2orl h LYS 11 Cb 2.06 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.87 2orl h LYS 11 CO -0.71 0.00 -0.41 -2.37 -2.27 0.00 0.00 179.45 173.69 2orl n THR 12 N -2.39 0.00 0.00 1.00 5.66 0.17 -4.47 114.28 114.25 2orl n THR 12 Ca -0.01 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 2orl n THR 12 Cb 0.06 0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.26 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 0.01 2.89 0.00 1.09 5.12 -0.50 -4.93 116.66 120.34 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 0.67 -0.28 0.00 0.00 -1.16 0.00 0.00 32.46 31.69 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 0.59 -1.27 0.00 5.85 -0.66 -2.11 115.31 117.71 2orl h LEU 15 Ca 0.00 0.13 0.46 0.00 0.84 0.00 0.00 57.88 59.31 2orl h LEU 15 Cb 0.00 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 40.92 2orl h LEU 15 CO 0.00 0.07 0.78 0.06 -0.34 0.00 0.00 178.44 179.01 2orl h GLN 16 N 0.50 0.00 0.00 1.25 3.07 -1.86 -3.18 115.11 114.89 2orl h GLN 16 Ca 0.65 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.39 2orl h GLN 16 Cb 1.38 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.94 2orl h GLN 16 CO -0.44 0.00 -0.80 0.00 0.09 0.00 0.00 178.83 177.68 2orl s HIS 18 N -1.80 1.83 -0.07 0.00 3.76 -0.83 -0.72 115.29 117.46 2orl s HIS 18 Ca 0.00 -0.29 0.00 0.00 -0.15 0.00 0.00 55.06 54.62 2orl s HIS 18 Cb 0.00 -2.83 0.02 0.00 1.11 0.00 0.00 32.58 30.89 2orl s HIS 18 CO 0.00 -1.45 -0.04 0.95 -0.85 0.00 0.00 174.74 173.35 2orl s THR 19 N -2.99 0.62 -0.04 1.30 -4.23 -1.26 -4.56 115.64 104.49 2orl s THR 19 Ca 0.64 -0.10 0.13 0.00 -1.18 0.00 0.00 61.69 61.18 2orl s THR 19 Cb -0.06 -0.68 0.00 0.00 1.34 0.00 0.00 72.50 73.10 2orl s THR 19 CO 0.42 0.27 1.44 1.62 -0.54 0.00 0.00 174.62 177.84 2orl h VAL 20 N 6.19 1.10 -0.39 2.29 3.04 -1.96 -2.78 116.25 123.75 2orl h VAL 20 Ca -0.30 -2.43 -0.62 0.00 -1.01 0.00 0.00 66.70 62.33 2orl h VAL 20 Cb 1.14 2.46 -0.08 0.00 -2.01 0.00 0.00 31.29 32.81 2orl h VAL 20 CO 0.39 0.60 -0.37 -1.83 -1.01 0.00 0.00 177.57 175.35 2orl s GLU 21 N -2.99 2.23 -0.22 4.17 4.04 -1.26 -4.10 118.70 120.57 2orl s GLU 21 Ca 0.03 -2.19 0.12 0.00 0.04 0.00 0.00 54.97 52.97 2orl s GLU 21 Cb 0.09 -1.88 0.75 0.00 0.02 0.00 0.00 34.13 33.10 2orl s GLU 21 CO 0.76 -0.56 1.65 1.63 -1.84 0.00 0.00 175.26 176.89 2orl n LYS 22 N -1.62 4.51 -0.04 -4.83 5.02 -1.26 -4.33 118.16 115.62 2orl n LYS 22 Ca -0.09 -2.88 0.04 0.00 -2.02 0.00 0.00 58.31 53.36 2orl n LYS 22 Cb 0.65 -2.20 -0.16 0.00 -0.02 0.00 0.00 35.03 33.30 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 0.53 -1.01 3.72 0.72 0.00 -1.26 -4.94 105.19 102.95 2orl n GLY 23 Ca 0.26 -0.45 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.84 2.83 0.86 -0.02 0.00 -1.26 -5.05 107.32 99.83 2orl s GLY 24 Ca -0.08 0.39 -0.11 0.00 0.00 0.00 0.00 44.72 44.91 2orl s GLY 24 CO 0.88 1.39 1.16 2.56 0.00 0.00 0.00 173.10 179.09 2orl s PRO 25 N 0.55 1.41 -0.85 2.90 0.04 -1.26 -4.87 135.00 132.91 2orl s PRO 25 Ca 0.45 1.56 -0.25 0.00 0.04 0.00 0.00 61.00 62.80 2orl s PRO 25 Cb -0.20 -1.77 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 2orl s PRO 25 CO 0.25 -2.34 1.77 -1.01 0.04 0.00 0.00 177.00 175.70 2orl s HIS 26 N -2.52 1.97 0.00 0.56 3.76 -1.26 -4.86 115.29 112.94 2orl s HIS 26 Ca 0.68 0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.89 2orl s HIS 26 Cb -0.24 -4.24 0.00 0.00 1.11 0.00 0.00 32.58 29.21 2orl s HIS 26 CO 0.55 -1.93 0.00 1.63 -0.85 0.00 0.00 174.74 174.14 2orl n LYS 27 N 8.97 3.94 0.08 1.40 4.01 -1.26 -4.82 118.16 130.49 2orl n LYS 27 Ca 0.31 0.00 0.18 0.00 -0.51 0.00 0.00 58.31 58.29 2orl n LYS 27 Cb 0.49 0.00 0.72 0.00 -0.51 0.00 0.00 35.03 35.73 2orl n LYS 27 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2orl h VAL 28 N 0.00 0.69 -4.39 -0.18 2.07 -1.87 -3.41 116.25 109.16 2orl h VAL 28 Ca 0.00 0.00 -0.65 0.00 0.82 0.00 0.00 66.70 66.87 2orl h VAL 28 Cb 0.00 0.78 -0.28 0.00 -1.52 0.00 0.00 31.29 30.27 2orl h VAL 28 CO 0.00 0.00 -0.87 -0.83 0.02 0.00 0.00 177.57 175.89 2orl s GLY 29 N -4.01 1.20 0.74 2.17 0.00 0.10 -4.96 107.32 102.56 2orl s GLY 29 Ca -0.05 -1.08 -0.12 0.00 0.00 0.00 0.00 44.72 43.47 2orl s GLY 29 CO 0.67 -0.95 1.10 2.56 0.00 0.00 0.00 173.10 176.49 2orl s PRO 30 N -0.86 2.40 0.07 2.90 0.04 -1.26 -4.24 135.00 134.05 2orl s PRO 30 Ca 0.09 1.27 -0.31 0.00 0.04 0.00 0.00 61.00 62.10 2orl s PRO 30 Cb -0.09 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 2orl s PRO 30 CO 0.00 -1.54 1.61 1.21 0.04 0.00 0.00 177.00 178.32 2orl s ASN 31 N -3.06 6.64 0.00 6.66 3.84 -1.26 -4.20 114.94 123.55 2orl s ASN 31 Ca 0.64 2.45 0.25 0.00 0.21 0.00 0.00 52.86 56.40 2orl s ASN 31 Cb -0.19 -2.57 0.40 0.00 -0.55 0.00 0.00 41.25 38.34 2orl s ASN 31 CO 0.51 -0.86 1.34 0.18 -2.79 0.00 0.00 177.10 175.48 2orl n LEU 32 N 5.38 1.13 -4.56 3.21 4.77 -1.05 -4.70 117.00 121.19 2orl n LEU 32 Ca 0.15 -0.35 -0.27 0.00 -0.03 0.00 0.00 56.01 55.52 2orl n LEU 32 Cb 0.41 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.34 2orl n LEU 32 CO 0.62 0.23 1.37 -2.28 -1.33 0.00 0.00 177.39 175.99 2orl s HIS 33 N -2.67 1.72 0.00 -1.77 2.46 -1.26 -2.43 115.29 111.33 2orl s HIS 33 Ca 0.18 0.79 0.00 0.00 0.47 0.00 0.00 55.06 56.50 2orl s HIS 33 Cb 0.18 -3.99 0.00 0.00 -0.13 0.00 0.00 32.58 28.65 2orl s HIS 33 CO 0.62 -1.80 0.00 0.41 -2.47 0.00 0.00 174.74 171.50 2orl n GLY 34 N 6.72 1.29 0.26 1.59 0.00 -1.26 -4.89 105.19 108.90 2orl n GLY 34 Ca 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.45 -0.61 3.07 -1.82 -3.43 117.51 114.55 2orl h ILE 35 Ca 0.00 -1.44 -0.67 0.00 1.55 0.00 0.00 64.86 64.30 2orl h ILE 35 Cb 0.00 1.28 -0.00 0.00 -0.27 0.00 0.00 36.82 37.83 2orl h ILE 35 CO 0.00 0.49 1.22 0.49 -1.05 0.00 0.00 178.15 179.30 2orl n PHE 36 N -4.13 1.90 0.00 0.16 3.72 -1.26 -0.63 117.46 117.21 2orl n PHE 36 Ca -0.01 0.25 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 2orl n PHE 36 Cb 0.48 -2.55 0.00 0.00 -0.94 0.00 0.00 39.48 36.47 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 5.46 0.19 3.72 1.37 0.00 -0.36 -5.03 105.19 110.53 2orl n GLY 37 Ca 0.33 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.92 2.50 0.72 1.61 0.52 0.19 -4.89 118.95 118.67 2orl s ARG 38 Ca 0.00 -1.35 -0.10 0.00 -0.52 0.00 0.00 55.73 53.76 2orl s ARG 38 Cb 0.00 -2.29 0.04 0.00 0.52 0.00 0.00 34.95 33.22 2orl s ARG 38 CO 0.00 0.30 1.08 -1.01 0.02 0.00 0.00 175.30 175.69 2orl s HIS 39 N -2.30 3.15 0.49 -0.53 3.76 -1.26 -1.74 115.29 116.88 2orl s HIS 39 Ca 0.34 0.82 -0.23 0.00 -0.15 0.00 0.00 55.06 55.83 2orl s HIS 39 Cb -0.06 -3.16 -0.07 0.00 1.11 0.00 0.00 32.58 30.41 2orl s HIS 39 CO 0.22 -1.32 1.36 0.43 -0.85 0.00 0.00 174.74 174.57 2orl n SER 40 N -3.02 2.82 -1.25 1.40 7.64 0.78 -3.88 113.62 118.10 2orl n SER 40 Ca 0.07 1.04 -0.03 0.00 1.01 0.00 0.00 58.87 60.97 2orl n SER 40 Cb 0.59 -1.57 0.01 0.00 -1.01 0.00 0.00 64.21 62.23 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 0.72 0.42 0.54 0.23 0.00 -1.26 -4.49 105.19 101.35 2orl n GLY 41 Ca 0.08 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.37 2.87 -1.94 1.61 1.13 -1.25 -4.98 117.38 113.44 2orl n GLN 42 Ca -0.03 -2.05 -0.42 0.00 -1.94 0.00 0.00 57.00 52.56 2orl n GLN 42 Cb 0.52 -1.28 -0.03 0.00 0.11 0.00 0.00 30.24 29.56 2orl n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2orl s ALA 43 N -1.22 3.55 -1.16 -1.58 0.00 -1.26 -4.92 121.76 115.16 2orl s ALA 43 Ca 0.21 0.96 -0.21 0.00 0.00 0.00 0.00 51.96 52.91 2orl s ALA 43 Cb 0.13 -3.78 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2orl s ALA 43 CO 0.12 -1.53 1.82 -1.21 0.00 0.00 0.00 175.76 174.96 2orl s GLU 44 N 4.25 3.11 0.00 0.00 8.01 -1.26 -2.95 118.70 129.86 2orl s GLU 44 Ca 0.77 -1.30 0.00 0.00 0.01 0.00 0.00 54.97 54.44 2orl s GLU 44 Cb -0.34 -5.33 0.00 0.00 -4.31 0.00 0.00 34.13 24.15 2orl s GLU 44 CO 0.32 -3.14 0.00 0.41 0.01 0.00 0.00 175.26 172.86 2orl n GLY 45 N 5.95 -0.05 2.98 -1.39 0.00 -1.26 -5.05 105.19 106.38 2orl n GLY 45 Ca 0.44 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.89 0.66 0.04 1.61 6.14 -1.15 -4.93 117.35 118.83 2orl s TYR 46 Ca 0.00 -0.13 -0.15 0.00 0.64 0.00 0.00 57.07 57.43 2orl s TYR 46 Cb 0.00 -0.44 -0.06 0.00 0.42 0.00 0.00 41.96 41.88 2orl s TYR 46 CO 0.00 -0.03 0.46 -1.12 0.64 0.00 0.00 175.55 175.51 2orl s SER 47 N -0.08 6.85 0.29 4.32 0.01 -1.26 -4.65 113.70 119.19 2orl s SER 47 Ca 0.01 1.03 0.08 0.00 1.31 0.00 0.00 55.95 58.38 2orl s SER 47 Cb -0.04 -2.27 -0.03 0.00 0.21 0.00 0.00 66.02 63.89 2orl s SER 47 CO -0.00 0.27 0.22 -0.31 0.41 0.00 0.00 173.24 173.82 2orl s TYR 48 N -1.17 2.96 0.80 2.43 2.02 -1.26 -5.05 117.35 118.08 2orl s TYR 48 Ca 0.28 -0.22 -0.11 0.00 -0.37 0.00 0.00 57.07 56.64 2orl s TYR 48 Cb -0.17 -1.57 0.07 0.00 -0.40 0.00 0.00 41.96 39.90 2orl s TYR 48 CO 0.16 0.38 1.09 0.95 -1.57 0.00 0.00 175.55 176.55 2orl s THR 49 N -2.24 3.16 0.41 -0.71 -4.23 -1.26 -4.89 115.64 105.88 2orl s THR 49 Ca 0.36 0.38 0.17 0.00 -1.18 0.00 0.00 61.69 61.42 2orl s THR 49 Cb -0.06 -3.04 0.38 0.00 1.34 0.00 0.00 72.50 71.11 2orl s THR 49 CO 0.25 -0.49 1.85 -0.78 -0.54 0.00 0.00 174.62 174.91 2orl h ASP 50 N -1.13 0.42 0.53 3.99 3.58 -1.98 -2.44 116.42 119.39 2orl h ASP 50 Ca -0.47 0.04 -0.29 0.00 0.42 0.00 0.00 57.03 56.74 2orl h ASP 50 Cb 1.26 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2orl h ASP 50 CO 0.57 0.17 -1.47 0.00 -2.88 0.00 0.00 179.24 175.62 2orl h ALA 51 N 1.61 0.34 -0.27 -0.78 0.00 -1.90 -3.24 119.26 115.02 2orl h ALA 51 Ca 0.48 -1.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.10 2orl h ALA 51 Cb 1.16 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 2orl h ALA 51 CO -0.19 1.20 -0.52 -0.97 0.00 0.00 0.00 179.25 178.78 2orl h ASN 52 N 0.05 0.84 0.17 0.00 -0.73 -1.80 -2.89 115.58 111.23 2orl h ASN 52 Ca -0.21 -0.44 -0.01 0.00 1.87 0.00 0.00 56.30 57.51 2orl h ASN 52 Cb 1.98 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 40.33 2orl h ASN 52 CO 0.15 1.20 -0.08 0.40 -0.37 0.00 0.00 177.43 178.72 2orl h ILE 53 N 0.59 0.00 -0.24 2.57 2.04 -1.68 -2.88 117.51 117.91 2orl h ILE 53 Ca 0.02 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.87 2orl h ILE 53 Cb 1.10 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2orl h ILE 53 CO 0.11 0.00 0.96 0.29 0.00 0.00 0.00 178.15 179.51 2orl n LYS 54 N -2.86 0.02 0.09 2.37 5.02 -1.22 -1.07 118.16 120.51 2orl n LYS 54 Ca -0.03 0.88 -0.15 0.00 -2.02 0.00 0.00 58.31 56.99 2orl n LYS 54 Cb 0.09 -2.32 -0.11 0.00 -0.02 0.00 0.00 35.03 32.67 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 0.32 -6.00 1.97 1.63 -1.28 -3.48 116.57 109.73 2orl h LYS 55 Ca 0.12 -0.46 -0.42 0.00 -0.85 0.00 0.00 60.65 59.03 2orl h LYS 55 Cb 2.03 0.16 -0.23 0.00 -0.60 0.00 0.00 32.23 33.59 2orl h LYS 55 CO -0.00 1.18 -0.63 0.09 -3.45 0.00 0.00 179.45 176.65 2orl n ASN 56 N -3.61 -0.70 -4.72 4.20 3.02 -0.23 -4.88 115.26 108.34 2orl n ASN 56 Ca -0.08 -0.85 -0.42 0.00 -0.03 0.00 0.00 54.58 53.20 2orl n ASN 56 Cb 0.96 -1.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 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 -2.92 3.55 -0.68 2.41 0.11 -1.26 -4.24 120.40 117.37 2orl s VAL 57 Ca 0.41 1.11 -0.25 0.00 -2.93 0.00 0.00 61.98 60.32 2orl s VAL 57 Cb -0.24 -3.71 0.05 0.00 -1.53 0.00 0.00 36.38 30.94 2orl s VAL 57 CO 0.69 0.09 1.13 -0.22 -3.33 0.00 0.00 175.10 173.45 2orl s LEU 58 N 1.06 3.72 -0.09 2.54 0.20 -1.26 -0.15 118.68 124.70 2orl s LEU 58 Ca 0.62 -0.59 -0.30 0.00 0.69 0.00 0.00 54.13 54.55 2orl s LEU 58 Cb -0.34 -2.58 -0.08 0.00 -0.43 0.00 0.00 46.19 42.76 2orl s LEU 58 CO 0.30 -1.61 2.08 0.79 -0.29 0.00 0.00 176.35 177.62 2orl n TRP 59 N 8.51 2.26 -4.06 5.38 7.02 -0.71 -4.85 117.44 130.99 2orl n TRP 59 Ca 0.01 -0.24 -0.03 0.00 -1.02 0.00 0.00 57.50 56.22 2orl n TRP 59 Cb 0.48 -2.76 -0.01 0.00 -2.42 0.00 0.00 31.31 26.60 2orl n TRP 59 CO 0.00 0.00 0.00 -3.47 -2.02 0.00 0.00 177.69 172.20 2orl n ASP 60 N 9.26 0.99 0.30 -0.99 -0.08 -1.26 -1.23 116.55 123.54 2orl n ASP 60 Ca 0.25 -1.25 -0.16 0.00 -1.51 0.00 0.00 54.79 52.12 2orl n ASP 60 Cb 0.41 0.12 -0.08 0.00 2.34 0.00 0.00 41.12 43.90 2orl n ASP 60 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2orl h GLU 61 N 0.00 -0.70 0.00 -0.67 4.57 -2.00 -2.70 114.58 113.08 2orl h GLU 61 Ca -0.04 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2orl h GLU 61 Cb 0.14 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 2orl h GLU 61 CO 0.06 -0.43 -0.03 -0.97 -1.18 0.00 0.00 179.01 176.46 2orl h ASN 62 N -0.82 0.03 -0.77 1.04 -1.24 -1.98 -3.35 115.58 108.49 2orl h ASN 62 Ca -0.07 -0.80 0.18 0.00 0.71 0.00 0.00 56.30 56.31 2orl h ASN 62 Cb 0.60 -0.01 -0.12 0.00 0.73 0.00 0.00 38.32 39.52 2orl h ASN 62 CO 0.12 0.82 0.18 -1.13 -1.29 0.00 0.00 177.43 176.13 2orl h ASN 63 N -0.76 -0.01 -0.91 1.15 -0.73 -1.89 -0.79 115.58 111.64 2orl h ASN 63 Ca -0.00 0.16 0.09 0.00 1.87 0.00 0.00 56.30 58.42 2orl h ASN 63 Cb 0.83 0.22 -0.07 0.00 0.27 0.00 0.00 38.32 39.57 2orl h ASN 63 CO 0.01 -0.07 0.58 -0.03 -0.37 0.00 0.00 177.43 177.55 2orl h MET 64 N 0.25 0.89 -0.52 6.67 4.05 -1.61 -1.95 114.93 122.72 2orl h MET 64 Ca 0.44 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.73 2orl h MET 64 Cb 0.79 -0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 2orl h MET 64 CO -0.55 0.59 0.01 0.77 0.23 0.00 0.00 176.91 177.96 2orl h SER 65 N 0.92 0.85 -0.57 1.39 0.02 -1.29 -0.60 113.55 114.27 2orl h SER 65 Ca 0.42 -0.22 0.07 0.00 -0.84 0.00 0.00 61.79 61.22 2orl h SER 65 Cb 0.38 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.64 2orl h SER 65 CO -0.18 0.91 0.25 -0.33 -1.14 0.00 0.00 176.83 176.35 2orl h GLU 66 N 0.82 0.46 0.07 3.45 5.08 -1.11 -2.32 114.58 121.02 2orl h GLU 66 Ca 0.16 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.27 2orl h GLU 66 Cb 0.48 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.65 2orl h GLU 66 CO 0.02 0.30 -0.91 -0.92 -1.00 0.00 0.00 179.01 176.50 2orl h TYR 67 N 0.47 0.79 -0.88 4.33 3.20 -1.42 -3.33 116.97 120.13 2orl h TYR 67 Ca 0.27 -0.48 0.07 0.00 3.14 0.00 0.00 58.73 61.74 2orl h TYR 67 Cb 0.26 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.40 2orl h TYR 67 CO -0.13 1.32 0.57 -0.07 -1.64 0.00 0.00 178.16 178.21 2orl h LEU 68 N 0.04 0.85 -1.17 2.82 3.38 -0.91 -1.57 115.31 118.74 2orl h LEU 68 Ca -0.13 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 2orl h LEU 68 Cb 1.62 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 2orl h LEU 68 CO 0.18 0.54 -0.02 0.74 0.09 0.00 0.00 178.44 179.96 2orl h THR 69 N 0.96 1.21 -1.08 0.22 2.02 -1.53 -0.55 112.91 114.16 2orl h THR 69 Ca 0.39 -0.85 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 2orl h THR 69 Cb 0.26 0.97 -0.19 0.00 -1.74 0.00 0.00 68.15 67.44 2orl h THR 69 CO -0.15 0.29 -0.48 0.21 0.37 0.00 0.00 175.52 175.76 2orl s ASN 70 N -6.73 -1.30 0.52 4.18 3.84 -0.95 -4.23 114.94 110.26 2orl s ASN 70 Ca -0.08 -1.04 0.17 0.00 0.21 0.00 0.00 52.86 52.12 2orl s ASN 70 Cb 0.15 1.83 1.29 0.00 -0.55 0.00 0.00 41.25 43.97 2orl s ASN 70 CO 0.77 -0.15 2.14 1.55 -2.79 0.00 0.00 177.10 178.61 2orl h PRO 71 N 6.61 0.00 -0.10 0.43 0.13 -1.53 -2.37 132.00 135.16 2orl h PRO 71 Ca 0.05 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.00 2orl h PRO 71 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2orl h PRO 71 CO 0.09 0.03 -0.70 0.87 -0.23 0.00 0.00 178.00 178.06 2orl h LYS 72 N 0.00 0.46 0.08 0.86 6.56 -1.84 -1.71 116.57 120.99 2orl h LYS 72 Ca -0.00 -0.36 -0.27 0.00 -1.06 0.00 0.00 60.65 58.95 2orl h LYS 72 Cb 0.05 0.07 0.02 0.00 -0.57 0.00 0.00 32.23 31.80 2orl h LYS 72 CO 0.00 0.99 -1.15 -0.22 -2.06 0.00 0.00 179.45 177.01 2orl h LYS 73 N 0.32 0.50 -0.03 3.15 1.63 -1.84 -3.05 116.57 117.26 2orl h LYS 73 Ca -0.03 -0.65 -0.26 0.00 -0.85 0.00 0.00 60.65 58.87 2orl h LYS 73 Cb 1.28 0.21 0.02 0.00 -0.60 0.00 0.00 32.23 33.14 2orl h LYS 73 CO 0.12 1.27 -0.99 -0.92 -3.45 0.00 0.00 179.45 175.48 2orl h TYR 74 N 0.23 1.02 -2.83 1.91 3.20 -1.51 -3.40 116.97 115.59 2orl h TYR 74 Ca -0.15 -0.54 -0.60 0.00 3.14 0.00 0.00 58.73 60.59 2orl h TYR 74 Cb 1.82 -0.12 -0.40 0.00 1.54 0.00 0.00 36.73 39.57 2orl h TYR 74 CO 0.09 1.37 -0.78 0.42 -1.64 0.00 0.00 178.16 177.62 2orl s ILE 75 N -3.39 1.13 -0.41 1.81 1.01 -0.64 -5.10 121.20 115.61 2orl s ILE 75 Ca -0.10 -2.55 -0.28 0.00 0.00 0.00 0.00 60.65 57.73 2orl s ILE 75 Cb 0.07 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.73 2orl s ILE 75 CO 0.92 -0.97 1.88 -2.16 0.00 0.00 0.00 174.94 174.61 2orl s PRO 76 N 0.30 3.04 0.00 2.79 0.04 -1.15 -2.50 135.00 137.52 2orl s PRO 76 Ca 0.20 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2orl s PRO 76 Cb -0.18 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2orl s PRO 76 CO -0.04 -2.21 0.00 0.41 0.04 0.00 0.00 177.00 175.20 2orl n GLY 77 N 5.55 1.01 3.77 0.56 0.00 -1.26 -4.78 105.19 110.04 2orl n GLY 77 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 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 3.14 0.28 2.61 -1.32 -1.04 -4.90 115.64 112.41 2orl s THR 78 Ca 0.00 0.86 0.26 0.00 -1.21 0.00 0.00 61.69 61.61 2orl s THR 78 Cb 0.00 -3.44 0.27 0.00 -1.51 0.00 0.00 72.50 67.82 2orl s THR 78 CO 0.00 -0.01 1.96 0.11 -2.21 0.00 0.00 174.62 174.47 2orl h LYS 79 N 2.10 0.00 -6.03 7.08 1.57 -1.98 -3.43 116.57 115.89 2orl h LYS 79 Ca -0.49 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.76 2orl h LYS 79 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 2orl h LYS 79 CO 0.60 0.17 1.37 1.41 -0.57 0.00 0.00 179.45 182.43 2orl s MET 80 N -3.91 2.82 -0.29 3.15 1.75 -1.26 -4.84 119.30 116.72 2orl s MET 80 Ca -0.01 1.08 0.09 0.00 -1.25 0.00 0.00 55.69 55.59 2orl s MET 80 Cb 0.12 -4.35 0.48 0.00 2.84 0.00 0.00 34.83 33.91 2orl s MET 80 CO 0.60 -2.48 1.39 0.00 -0.65 0.00 0.00 175.02 173.88 2orl n ALA 81 N 12.31 4.32 0.25 4.11 0.00 -1.26 -4.68 120.51 135.56 2orl n ALA 81 Ca 0.24 -3.29 0.16 0.00 0.00 0.00 0.00 53.44 50.55 2orl n ALA 81 Cb 0.50 -0.62 0.87 0.00 0.00 0.00 0.00 19.45 20.20 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 1.18 0.00 0.00 0.00 3.57 -1.98 -3.47 116.94 116.24 2orl h PHE 82 Ca 0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2orl h PHE 82 Cb 1.44 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.18 2orl h PHE 82 CO 0.97 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 177.46 2orl n GLY 83 N -1.37 2.60 0.26 2.40 0.00 -1.26 -4.97 105.19 102.86 2orl n GLY 83 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.38 3.56 -0.02 0.00 -1.25 -4.85 105.19 102.24 2orl n GLY 84 Ca 0.00 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 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 3.36 0.45 0.99 1.43 -0.21 -4.81 118.68 119.89 2orl s LEU 85 Ca 0.00 -1.01 0.13 0.00 -1.03 0.00 0.00 54.13 52.22 2orl s LEU 85 Cb 0.00 -2.56 1.02 0.00 0.03 0.00 0.00 46.19 44.68 2orl s LEU 85 CO 0.00 -1.82 2.03 0.11 0.23 0.00 0.00 176.35 176.91 2orl h LYS 86 N 10.37 0.12 -6.40 1.70 1.79 -1.85 -3.37 116.57 118.93 2orl h LYS 86 Ca 0.05 -0.02 -0.54 0.00 -2.18 0.00 0.00 60.65 57.96 2orl h LYS 86 Cb 1.03 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.59 2orl h LYS 86 CO 1.35 0.19 1.08 0.15 -1.08 0.00 0.00 179.45 181.14 2orl s LYS 87 N -4.90 3.28 0.20 3.15 1.02 -1.26 -4.93 119.74 116.30 2orl s LYS 87 Ca -0.05 0.26 -0.10 0.00 0.02 0.00 0.00 55.97 56.10 2orl s LYS 87 Cb 0.16 -4.13 0.21 0.00 -0.52 0.00 0.00 37.83 33.55 2orl s LYS 87 CO 0.70 -1.99 1.81 1.49 -0.92 0.00 0.00 175.35 176.45 2orl h GLU 88 N 10.76 0.67 -0.98 1.68 4.81 -1.99 -2.56 114.58 126.98 2orl h GLU 88 Ca -0.27 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 58.99 2orl h GLU 88 Cb 1.08 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 2orl h GLU 88 CO 1.21 0.45 0.63 0.87 -0.73 0.00 0.00 179.01 181.43 2orl h LYS 89 N 0.69 1.11 -0.70 1.92 1.79 -1.91 -1.28 116.57 118.20 2orl h LYS 89 Ca 0.28 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.64 2orl h LYS 89 Cb 0.14 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 30.51 2orl h LYS 89 CO -0.16 0.74 0.27 -0.44 -1.08 0.00 0.00 179.45 178.78 2orl h ASP 90 N 1.15 0.97 0.14 0.86 5.19 -1.89 -2.97 116.42 119.86 2orl h ASP 90 Ca 0.42 -0.17 -0.18 0.00 -0.62 0.00 0.00 57.03 56.47 2orl h ASP 90 Cb 0.16 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.42 2orl h ASP 90 CO -0.16 0.88 -0.69 0.03 -3.12 0.00 0.00 179.24 176.17 2orl h ARG 91 N 1.00 0.50 -0.81 3.56 3.08 -1.08 -3.25 114.38 117.38 2orl h ARG 91 Ca 0.23 -0.38 0.13 0.00 0.07 0.00 0.00 59.98 60.03 2orl h ARG 91 Cb 0.22 0.07 -0.14 0.00 0.08 0.00 0.00 29.97 30.20 2orl h ARG 91 CO -0.02 1.01 -0.38 -0.91 -1.07 0.00 0.00 179.97 178.60 2orl h ASN 92 N 0.35 -1.36 -0.40 7.04 2.35 -1.09 0.44 115.58 122.91 2orl h ASN 92 Ca -0.03 0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.91 2orl h ASN 92 Cb 1.27 0.69 -0.02 0.00 0.05 0.00 0.00 38.32 40.31 2orl h ASN 92 CO 0.13 -0.30 -0.07 -0.78 -1.65 0.00 0.00 177.43 174.76 2orl h ASP 93 N -0.08 0.82 -0.96 5.81 1.82 -1.66 -3.09 116.42 119.08 2orl h ASP 93 Ca 0.28 -0.23 0.08 0.00 -0.39 0.00 0.00 57.03 56.77 2orl h ASP 93 Cb 0.57 -0.22 -0.07 0.00 0.68 0.00 0.00 39.33 40.29 2orl h ASP 93 CO -0.85 0.93 0.61 -0.07 -1.61 0.00 0.00 179.24 178.25 2orl h LEU 94 N 0.76 0.94 -0.08 2.28 3.38 -0.99 -2.54 115.31 119.07 2orl h LEU 94 Ca 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2orl h LEU 94 Cb 0.56 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2orl h LEU 94 CO 0.03 0.57 0.02 0.40 0.09 0.00 0.00 178.44 179.56 2orl h ILE 95 N 1.06 1.18 -0.74 1.22 2.04 -1.17 -2.78 117.51 118.33 2orl h ILE 95 Ca 0.44 -0.56 0.11 0.00 1.00 0.00 0.00 64.86 65.84 2orl h ILE 95 Cb 0.26 1.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.67 2orl h ILE 95 CO -0.20 0.16 0.36 0.74 0.00 0.00 0.00 178.15 179.21 2orl h THR 96 N -0.07 0.81 0.45 -0.27 2.02 -1.45 0.37 112.91 114.77 2orl h THR 96 Ca 0.03 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2orl h THR 96 Cb 0.23 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.81 2orl h THR 96 CO -0.00 0.11 -0.22 0.22 0.37 0.00 0.00 175.52 176.00 2orl h TYR 97 N 0.59 -0.56 -0.53 3.16 3.20 -1.38 -0.39 116.97 121.05 2orl h TYR 97 Ca 0.37 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.23 2orl h TYR 97 Cb 0.43 0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.86 2orl h TYR 97 CO -0.11 -0.30 0.34 1.25 -1.64 0.00 0.00 178.16 177.70 2orl h LEU 98 N -0.71 0.62 -0.98 2.82 7.12 -1.19 -2.36 115.31 120.64 2orl h LEU 98 Ca -0.06 -0.03 0.10 0.00 0.13 0.00 0.00 57.88 58.01 2orl h LEU 98 Cb 0.52 -0.16 -0.08 0.00 -0.53 0.00 0.00 40.66 40.41 2orl h LEU 98 CO 0.10 0.47 0.62 0.50 -0.13 0.00 0.00 178.44 180.00 2orl h LYS 99 N 0.72 1.00 -0.06 1.25 3.64 -0.23 -0.49 116.57 122.41 2orl h LYS 99 Ca 0.19 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 2orl h LYS 99 Cb -0.06 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 2orl h LYS 99 CO -0.04 0.66 -0.38 -0.22 -2.27 0.00 0.00 179.45 177.21 2orl h LYS 100 N 1.03 0.11 0.09 1.90 1.63 -0.54 -0.22 116.57 120.58 2orl h LYS 100 Ca 0.46 -0.05 -0.26 0.00 -0.85 0.00 0.00 60.65 59.95 2orl h LYS 100 Cb 0.36 -0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.99 2orl h LYS 100 CO -0.23 0.48 -1.15 0.00 -3.45 0.00 0.00 179.45 175.10 2orl h ALA 101 N 1.52 0.16 0.24 5.00 0.00 -1.07 -3.35 119.26 121.76 2orl h ALA 101 Ca 0.01 -0.80 -0.34 0.00 0.00 0.00 0.00 54.91 53.78 2orl h ALA 101 Cb 0.72 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.57 2orl h ALA 101 CO 0.05 0.85 -1.51 1.15 0.00 0.00 0.00 179.25 179.79 2orl h THR 102 N 0.17 1.24 0.00 0.00 2.02 -1.01 -3.46 112.91 111.86 2orl h THR 102 Ca -0.13 -2.70 0.00 0.00 0.77 0.00 0.00 66.41 64.35 2orl h THR 102 Cb 1.83 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 71.24 2orl h THR 102 CO 0.20 0.82 0.00 -1.84 0.37 0.00 0.00 175.52 175.07