#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 2.07 -2.30 -2.82 0.00 -1.26 -5.08 120.64 111.24 2orl n GLU -4 Ca 0.00 -4.15 -0.43 0.00 0.00 0.00 0.00 57.16 52.58 2orl n GLU -4 Cb 0.00 -1.93 -0.02 0.00 0.00 0.00 0.00 31.44 29.48 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 -2.64 2.57 -0.21 4.31 5.36 -1.26 -4.87 117.98 121.24 2orl s PHE -3 Ca 0.43 0.77 -0.03 0.00 -0.96 0.00 0.00 56.93 57.14 2orl s PHE -3 Cb 0.26 -3.69 -0.00 0.00 -0.34 0.00 0.00 43.02 39.25 2orl s PHE -3 CO -0.09 -2.28 -0.08 0.15 -1.46 0.00 0.00 175.22 171.45 2orl s LYS -2 N 3.82 3.30 0.43 10.12 1.02 -1.26 -5.10 119.74 132.06 2orl s LYS -2 Ca 0.61 -0.67 -0.24 0.00 0.02 0.00 0.00 55.97 55.68 2orl s LYS -2 Cb -0.24 -2.90 -0.10 0.00 -0.52 0.00 0.00 37.83 34.07 2orl s LYS -2 CO 0.20 -0.18 1.05 0.00 -0.92 0.00 0.00 175.35 175.51 2orl n ALA -1 N 4.69 0.38 -2.57 5.17 0.00 -1.26 -4.15 120.51 122.77 2orl n ALA -1 Ca -0.19 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2orl n ALA -1 Cb 0.51 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.84 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 1.12 3.76 3.62 0.00 0.00 -1.26 -4.83 105.19 107.60 2orl n GLY 1 Ca 0.09 -1.71 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 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 0.13 -0.73 0.31 1.61 0.01 -1.26 -5.00 113.70 108.77 2orl s SER 2 Ca 0.00 1.36 0.07 0.00 1.31 0.00 0.00 55.95 58.69 2orl s SER 2 Cb 0.00 1.36 0.84 0.00 0.21 0.00 0.00 66.02 68.43 2orl s SER 2 CO 0.00 -0.28 1.68 0.00 0.41 0.00 0.00 173.24 175.05 2orl h ALA 3 N 4.77 1.60 0.00 1.44 0.00 -1.90 0.35 119.26 125.52 2orl h ALA 3 Ca -0.29 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2orl h ALA 3 Cb 1.16 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2orl h ALA 3 CO 0.09 -0.41 0.00 1.17 0.00 0.00 0.00 179.25 180.09 2orl n LYS 4 N -5.05 0.91 -0.03 0.00 0.00 -1.26 -2.90 118.16 109.83 2orl n LYS 4 Ca 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 58.31 58.49 2orl n LYS 4 Cb 0.76 -1.36 -0.02 0.00 0.00 0.00 0.00 35.03 34.40 2orl n LYS 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2orl n LYS 5 N -0.86 0.23 0.21 1.64 5.02 0.07 -4.62 118.16 119.84 2orl n LYS 5 Ca 0.16 0.10 0.14 0.00 -2.02 0.00 0.00 58.31 56.69 2orl n LYS 5 Cb 0.07 -0.90 0.77 0.00 -0.02 0.00 0.00 35.03 34.95 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 -0.42 0.00 0.76 0.72 0.00 -1.56 -2.64 103.07 99.93 2orl h GLY 6 Ca -0.12 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.24 2orl h GLY 6 CO -0.07 0.00 0.11 0.00 0.00 0.00 0.00 176.54 176.58 2orl h ALA 7 N 1.88 0.35 -0.93 3.60 0.00 -1.77 -2.37 119.26 120.01 2orl h ALA 7 Ca 0.07 0.03 0.19 0.00 0.00 0.00 0.00 54.91 55.20 2orl h ALA 7 Cb 0.33 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 2orl h ALA 7 CO -0.00 -0.29 0.60 1.79 0.00 0.00 0.00 179.25 181.35 2orl h THR 8 N 0.25 0.72 0.00 0.00 1.35 -1.72 -1.44 112.91 112.06 2orl h THR 8 Ca 0.13 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2orl h THR 8 Cb 0.10 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 66.62 2orl h THR 8 CO -0.13 0.10 0.00 0.18 -0.25 0.00 0.00 175.52 175.42 2orl n LEU 9 N -4.59 0.86 -0.35 3.87 7.99 -0.91 -3.47 117.00 120.40 2orl n LEU 9 Ca 0.20 0.37 0.33 0.00 -0.01 0.00 0.00 56.01 56.90 2orl n LEU 9 Cb 0.62 -0.02 0.58 0.00 -0.11 0.00 0.00 43.42 44.48 2orl n LEU 9 CO 0.28 -0.02 1.05 0.33 -1.51 0.00 0.00 177.39 177.51 2orl n PHE 10 N -0.57 0.95 0.32 -1.77 -0.00 -1.13 -0.13 117.46 115.13 2orl n PHE 10 Ca 0.00 0.96 0.20 0.00 -0.00 0.00 0.00 57.45 58.61 2orl n PHE 10 Cb 0.00 -1.37 1.06 0.00 -0.00 0.00 0.00 39.48 39.17 2orl n PHE 10 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.76 176.54 2orl h LYS 11 N 0.00 0.00 0.00 -4.13 3.64 -1.32 0.33 116.57 115.09 2orl h LYS 11 Ca 0.81 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 60.17 2orl h LYS 11 Cb 2.30 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 34.08 2orl h LYS 11 CO -0.63 0.01 -0.46 -2.37 -2.27 0.00 0.00 179.45 173.73 2orl n THR 12 N -3.21 0.41 0.00 1.00 5.66 0.81 -4.41 114.28 114.55 2orl n THR 12 Ca -0.02 -0.61 0.00 0.00 -3.05 0.00 0.00 64.05 60.36 2orl n THR 12 Cb 0.12 0.39 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 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 -0.25 2.70 0.00 1.09 5.12 -0.67 -4.95 116.66 119.70 2orl n ARG 13 Ca 0.04 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.96 2orl n ARG 13 Cb 0.73 -0.61 0.00 0.00 -1.16 0.00 0.00 32.46 31.42 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 0.49 -1.23 0.00 5.85 -0.71 -1.82 115.31 117.88 2orl h LEU 15 Ca 0.00 0.14 0.41 0.00 0.84 0.00 0.00 57.88 59.27 2orl h LEU 15 Cb 0.41 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.38 2orl h LEU 15 CO 0.00 -0.03 0.72 0.06 -0.34 0.00 0.00 178.44 178.85 2orl h GLN 16 N 0.37 0.12 0.00 1.25 3.07 -1.83 -3.21 115.11 114.86 2orl h GLN 16 Ca 0.69 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.42 2orl h GLN 16 Cb 1.66 -0.03 0.00 0.00 0.08 0.00 0.00 27.48 29.20 2orl h GLN 16 CO -0.47 0.08 -0.87 0.00 0.09 0.00 0.00 178.83 177.66 2orl n HIS 18 N -2.02 -2.74 -3.88 0.00 8.25 -0.74 -1.10 115.22 112.99 2orl n HIS 18 Ca 0.00 -1.71 -0.22 0.00 -0.26 0.00 0.00 57.72 55.53 2orl n HIS 18 Cb 0.44 -0.59 -0.17 0.00 1.12 0.00 0.00 29.99 30.78 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 -2.55 0.41 0.03 1.59 -4.23 -1.26 -4.58 115.64 105.06 2orl s THR 19 Ca 0.58 0.05 0.13 0.00 -1.18 0.00 0.00 61.69 61.27 2orl s THR 19 Cb -0.04 -0.53 -0.00 0.00 1.34 0.00 0.00 72.50 73.27 2orl s THR 19 CO 0.38 0.25 1.48 1.62 -0.54 0.00 0.00 174.62 177.80 2orl h VAL 20 N 6.27 1.15 -4.87 2.29 3.04 -1.95 -2.39 116.25 119.79 2orl h VAL 20 Ca -0.26 -2.37 -0.48 0.00 -1.01 0.00 0.00 66.70 62.58 2orl h VAL 20 Cb 1.13 2.40 -0.08 0.00 -2.01 0.00 0.00 31.29 32.73 2orl h VAL 20 CO 0.33 0.60 -0.33 -1.84 -1.01 0.00 0.00 177.57 175.32 2orl n GLU 21 N -3.38 1.07 -0.93 4.17 -0.00 -1.26 -3.97 120.64 116.34 2orl n GLU 21 Ca 0.01 -2.69 0.02 0.00 -0.00 0.00 0.00 57.16 54.50 2orl n GLU 21 Cb 0.73 0.66 0.36 0.00 -0.00 0.00 0.00 31.44 33.18 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 -1.01 4.35 -0.01 3.44 5.02 -1.26 -4.40 118.16 124.29 2orl n LYS 22 Ca -0.13 -3.13 0.01 0.00 -2.02 0.00 0.00 58.31 53.03 2orl n LYS 22 Cb 0.47 -2.23 -0.12 0.00 -0.02 0.00 0.00 35.03 33.13 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 0.25 -1.11 3.69 0.72 0.00 -1.26 -4.90 105.19 102.58 2orl n GLY 23 Ca 0.33 -0.28 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.89 2.29 0.84 -0.02 0.00 -1.26 -5.07 107.32 99.20 2orl s GLY 24 Ca -0.06 -0.17 -0.12 0.00 0.00 0.00 0.00 44.72 44.37 2orl s GLY 24 CO 0.84 1.09 1.16 2.56 0.00 0.00 0.00 173.10 178.75 2orl s PRO 25 N 1.23 1.52 -0.10 2.90 0.04 -1.26 -4.87 135.00 134.46 2orl s PRO 25 Ca 0.29 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 2orl s PRO 25 Cb -0.16 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 2orl s PRO 25 CO 0.12 -2.26 2.08 0.72 0.04 0.00 0.00 177.00 177.69 2orl n HIS 26 N -3.64 2.22 0.00 0.56 8.25 -1.26 -4.91 115.22 116.44 2orl n HIS 26 Ca 0.12 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 2orl n HIS 26 Cb 0.51 -2.74 0.00 0.00 1.12 0.00 0.00 29.99 28.88 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 7.96 1.68 0.31 -0.41 4.81 -1.26 -4.90 118.16 126.35 2orl n LYS 27 Ca 0.26 0.00 0.18 0.00 -0.87 0.00 0.00 58.31 57.87 2orl n LYS 27 Cb 0.40 0.00 0.99 0.00 0.02 0.00 0.00 35.03 36.44 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 0.31 -3.26 3.15 2.07 -1.81 -3.43 116.25 113.28 2orl h VAL 28 Ca 0.00 -0.11 -0.36 0.00 0.82 0.00 0.00 66.70 67.05 2orl h VAL 28 Cb 0.00 1.08 -0.15 0.00 -1.52 0.00 0.00 31.29 30.71 2orl h VAL 28 CO 0.00 0.02 -0.71 -0.83 0.02 0.00 0.00 177.57 176.07 2orl s GLY 29 N -4.14 1.18 0.92 2.17 0.00 -0.26 -4.97 107.32 102.22 2orl s GLY 29 Ca -0.04 -1.55 -0.12 0.00 0.00 0.00 0.00 44.72 43.01 2orl s GLY 29 CO 0.50 -1.64 1.09 2.56 0.00 0.00 0.00 173.10 175.62 2orl s PRO 30 N -3.73 1.04 -0.12 2.90 0.04 -1.26 -4.52 135.00 129.34 2orl s PRO 30 Ca 0.19 0.68 -0.29 0.00 0.04 0.00 0.00 61.00 61.62 2orl s PRO 30 Cb 0.02 -1.79 -0.02 0.00 0.04 0.00 0.00 34.50 32.75 2orl s PRO 30 CO 0.03 -2.36 1.14 1.21 0.04 0.00 0.00 177.00 177.05 2orl s ASN 31 N -3.50 7.08 0.00 6.66 3.84 -1.26 -4.05 114.94 123.72 2orl s ASN 31 Ca 0.64 1.64 0.26 0.00 0.21 0.00 0.00 52.86 55.61 2orl s ASN 31 Cb -0.18 -2.55 0.71 0.00 -0.55 0.00 0.00 41.25 38.69 2orl s ASN 31 CO 0.57 -0.60 1.56 0.18 -2.79 0.00 0.00 177.10 176.01 2orl n LEU 32 N 5.66 0.36 -4.56 3.21 4.77 -0.90 -4.84 117.00 120.70 2orl n LEU 32 Ca 0.11 0.14 -0.23 0.00 -0.03 0.00 0.00 56.01 56.01 2orl n LEU 32 Cb 0.46 -0.32 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2orl n LEU 32 CO 0.54 0.09 1.46 -2.28 -1.33 0.00 0.00 177.39 175.87 2orl s HIS 33 N -3.00 1.24 0.00 -1.77 2.46 -1.25 -2.10 115.29 110.87 2orl s HIS 33 Ca 0.12 1.63 0.00 0.00 0.47 0.00 0.00 55.06 57.28 2orl s HIS 33 Cb 0.18 -3.60 0.00 0.00 -0.13 0.00 0.00 32.58 29.03 2orl s HIS 33 CO 0.65 -1.88 0.00 0.41 -2.47 0.00 0.00 174.74 171.45 2orl n GLY 34 N 6.55 1.60 0.23 1.59 0.00 -1.26 -4.95 105.19 108.94 2orl n GLY 34 Ca 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 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 1.31 -2.16 -0.61 3.07 -1.76 -3.43 117.51 113.93 2orl h ILE 35 Ca 0.00 -1.75 -0.58 0.00 1.55 0.00 0.00 64.86 64.07 2orl h ILE 35 Cb 0.00 1.70 -0.00 0.00 -0.27 0.00 0.00 36.82 38.25 2orl h ILE 35 CO 0.00 0.55 1.43 -0.36 -1.05 0.00 0.00 178.15 178.72 2orl s PHE 36 N -4.06 1.31 0.00 0.16 0.08 -1.26 -1.50 117.98 112.70 2orl s PHE 36 Ca -0.08 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.44 2orl s PHE 36 Cb 0.11 -3.99 0.00 0.00 -0.57 0.00 0.00 43.02 38.57 2orl s PHE 36 CO 0.85 -3.98 0.00 0.41 -0.10 0.00 0.00 175.22 172.41 2orl n GLY 37 N 5.58 0.78 3.85 4.36 0.00 -0.58 -5.04 105.19 114.13 2orl n GLY 37 Ca 0.28 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.47 2.27 0.44 1.61 0.52 -0.56 -4.91 118.95 117.86 2orl s ARG 38 Ca 0.00 -1.98 0.08 0.00 -0.52 0.00 0.00 55.73 53.31 2orl s ARG 38 Cb 0.00 -2.03 0.02 0.00 0.52 0.00 0.00 34.95 33.46 2orl s ARG 38 CO 0.00 -0.44 0.59 -1.01 0.02 0.00 0.00 175.30 174.47 2orl s HIS 39 N -2.72 2.57 0.37 -0.53 3.76 -1.25 -1.09 115.29 116.40 2orl s HIS 39 Ca 0.33 -0.46 -0.27 0.00 -0.15 0.00 0.00 55.06 54.52 2orl s HIS 39 Cb -0.01 -2.34 -0.09 0.00 1.11 0.00 0.00 32.58 31.26 2orl s HIS 39 CO 0.20 -0.52 1.21 -1.12 -0.85 0.00 0.00 174.74 173.66 2orl s SER 40 N -4.39 6.66 -0.08 1.40 0.01 -0.31 -4.02 113.70 112.96 2orl s SER 40 Ca 0.56 2.45 -0.00 0.00 1.31 0.00 0.00 55.95 60.26 2orl s SER 40 Cb -0.09 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2orl s SER 40 CO 0.34 -0.59 0.07 0.61 0.41 0.00 0.00 173.24 174.08 2orl n GLY 41 N 0.75 0.73 0.68 3.44 0.00 -1.26 -4.21 105.19 105.32 2orl n GLY 41 Ca 0.02 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.90 1.25 -2.02 1.61 6.02 -1.26 -4.95 117.38 117.13 2orl n GLN 42 Ca -0.00 -2.95 -0.41 0.00 -0.01 0.00 0.00 57.00 53.63 2orl n GLN 42 Cb 0.51 -1.31 -0.02 0.00 1.02 0.00 0.00 30.24 30.44 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 -2.58 3.55 -1.18 -1.58 0.00 -1.26 -4.91 121.76 113.79 2orl s ALA 43 Ca 0.36 1.35 -0.17 0.00 0.00 0.00 0.00 51.96 53.49 2orl s ALA 43 Cb 0.35 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2orl s ALA 43 CO -0.07 -0.76 2.08 0.39 0.00 0.00 0.00 175.76 177.40 2orl n GLU 44 N 1.06 2.32 0.00 0.00 4.71 -1.26 -3.49 120.64 123.97 2orl n GLU 44 Ca 0.02 -2.34 0.00 0.00 -0.01 0.00 0.00 57.16 54.83 2orl n GLU 44 Cb 0.41 -3.17 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 4.37 1.94 2.93 0.62 0.00 -1.26 -5.04 105.19 108.75 2orl n GLY 45 Ca 0.51 0.00 -0.13 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 -2.00 0.24 0.01 1.61 6.14 -1.23 -4.99 117.35 117.13 2orl s TYR 46 Ca 0.00 -0.15 -0.11 0.00 0.64 0.00 0.00 57.07 57.45 2orl s TYR 46 Cb 0.00 -0.15 -0.05 0.00 0.42 0.00 0.00 41.96 42.17 2orl s TYR 46 CO 0.00 -0.04 0.36 -1.54 0.64 0.00 0.00 175.55 174.97 2orl s SER 47 N -0.39 6.67 0.31 4.32 1.04 -1.26 -4.55 113.70 119.84 2orl s SER 47 Ca -0.03 0.81 0.09 0.00 0.48 0.00 0.00 55.95 57.30 2orl s SER 47 Cb -0.03 -2.19 -0.04 0.00 0.10 0.00 0.00 66.02 63.86 2orl s SER 47 CO -0.00 0.28 0.10 -0.31 0.98 0.00 0.00 173.24 174.29 2orl s TYR 48 N -1.20 2.74 0.85 5.02 2.02 -1.26 -5.03 117.35 120.49 2orl s TYR 48 Ca 0.26 -0.31 -0.12 0.00 -0.37 0.00 0.00 57.07 56.53 2orl s TYR 48 Cb -0.15 -1.49 0.10 0.00 -0.40 0.00 0.00 41.96 40.03 2orl s TYR 48 CO 0.14 0.44 1.12 0.95 -1.57 0.00 0.00 175.55 176.62 2orl s THR 49 N -2.37 2.57 0.39 -0.71 -4.23 -1.26 -4.89 115.64 105.13 2orl s THR 49 Ca 0.35 0.18 0.10 0.00 -1.18 0.00 0.00 61.69 61.15 2orl s THR 49 Cb -0.04 -2.93 0.32 0.00 1.34 0.00 0.00 72.50 71.19 2orl s THR 49 CO 0.22 -0.24 1.94 -0.78 -0.54 0.00 0.00 174.62 175.22 2orl h ASP 50 N -1.28 0.54 0.52 3.99 1.82 -1.97 -2.74 116.42 117.30 2orl h ASP 50 Ca -0.49 0.02 -0.29 0.00 -0.39 0.00 0.00 57.03 55.88 2orl h ASP 50 Cb 1.30 -0.10 -0.01 0.00 0.68 0.00 0.00 39.33 41.20 2orl h ASP 50 CO 0.61 0.32 -1.48 0.00 -1.61 0.00 0.00 179.24 177.07 2orl h ALA 51 N 1.63 0.32 -0.25 -0.78 0.00 -1.91 -3.28 119.26 114.99 2orl h ALA 51 Ca 0.34 -1.11 -0.17 0.00 0.00 0.00 0.00 54.91 53.98 2orl h ALA 51 Cb 0.53 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2orl h ALA 51 CO -0.12 1.18 -0.51 -0.97 0.00 0.00 0.00 179.25 178.83 2orl h ASN 52 N 0.06 0.78 0.02 0.00 -0.73 -1.84 -3.06 115.58 110.80 2orl h ASN 52 Ca -0.22 -0.40 -0.00 0.00 1.87 0.00 0.00 56.30 57.55 2orl h ASN 52 Cb 1.99 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 40.35 2orl h ASN 52 CO 0.15 1.15 -0.01 0.40 -0.37 0.00 0.00 177.43 178.75 2orl h ILE 53 N 0.55 0.00 -0.31 2.57 2.04 -1.67 -2.95 117.51 117.75 2orl h ILE 53 Ca 0.02 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 65.96 2orl h ILE 53 Cb 1.08 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2orl h ILE 53 CO 0.11 0.00 0.90 0.29 0.00 0.00 0.00 178.15 179.44 2orl n LYS 54 N -2.10 0.02 0.09 2.37 5.02 -1.24 -0.81 118.16 121.51 2orl n LYS 54 Ca -0.00 0.81 -0.17 0.00 -2.02 0.00 0.00 58.31 56.93 2orl n LYS 54 Cb 0.01 -2.12 -0.14 0.00 -0.02 0.00 0.00 35.03 32.76 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 0.27 -6.08 1.97 1.63 -1.41 -3.48 116.57 109.47 2orl h LYS 55 Ca 0.15 -0.47 -0.15 0.00 -0.85 0.00 0.00 60.65 59.32 2orl h LYS 55 Cb 1.94 0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 33.70 2orl h LYS 55 CO -0.00 1.18 -0.24 0.09 -3.45 0.00 0.00 179.45 177.03 2orl n ASN 56 N -3.51 -0.15 -4.76 4.20 3.02 0.01 -4.87 115.26 109.21 2orl n ASN 56 Ca -0.12 -0.32 -0.41 0.00 -0.03 0.00 0.00 54.58 53.70 2orl n ASN 56 Cb 1.04 -0.39 -0.03 0.00 -0.61 0.00 0.00 39.78 39.78 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 -3.75 3.18 -0.71 2.41 0.11 -1.26 -4.18 120.40 116.20 2orl s VAL 57 Ca 0.04 1.13 -0.26 0.00 -2.93 0.00 0.00 61.98 59.96 2orl s VAL 57 Cb -0.02 -3.72 0.04 0.00 -1.53 0.00 0.00 36.38 31.15 2orl s VAL 57 CO 0.25 0.24 1.18 -0.22 -3.33 0.00 0.00 175.10 173.22 2orl s LEU 58 N -1.22 3.55 -0.22 2.54 2.96 -1.26 -1.17 118.68 123.86 2orl s LEU 58 Ca 0.49 -0.60 -0.28 0.00 -0.22 0.00 0.00 54.13 53.51 2orl s LEU 58 Cb -0.35 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.75 2orl s LEU 58 CO 0.44 -1.70 2.23 0.79 -1.32 0.00 0.00 176.35 176.79 2orl n TRP 59 N 8.83 1.95 -4.34 5.38 7.02 -0.25 -4.87 117.44 131.15 2orl n TRP 59 Ca 0.01 -0.11 -0.15 0.00 -1.02 0.00 0.00 57.50 56.23 2orl n TRP 59 Cb 0.48 -2.72 -0.03 0.00 -2.42 0.00 0.00 31.31 26.62 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 11.67 2.60 0.09 -0.99 2.03 -1.26 -1.53 116.55 129.17 2orl n ASP 60 Ca 0.30 -2.01 -0.13 0.00 0.52 0.00 0.00 54.79 53.48 2orl n ASP 60 Cb 0.44 0.17 -0.08 0.00 -0.72 0.00 0.00 41.12 40.93 2orl n ASP 60 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2orl h GLU 61 N 0.00 -0.20 0.06 -0.67 4.57 -2.02 -2.89 114.58 113.44 2orl h GLU 61 Ca -0.19 0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 57.90 2orl h GLU 61 Cb 0.58 0.04 0.01 0.00 -0.16 0.00 0.00 28.75 29.22 2orl h GLU 61 CO 0.31 0.02 -0.44 -0.97 -1.18 0.00 0.00 179.01 176.76 2orl h ASN 62 N -0.39 0.28 -0.82 1.04 -1.24 -1.98 -3.36 115.58 109.10 2orl h ASN 62 Ca -0.02 -0.93 0.20 0.00 0.71 0.00 0.00 56.30 56.26 2orl h ASN 62 Cb 0.31 -0.09 -0.13 0.00 0.73 0.00 0.00 38.32 39.15 2orl h ASN 62 CO 0.03 1.18 0.23 -1.13 -1.29 0.00 0.00 177.43 176.45 2orl h ASN 63 N -0.58 0.04 -1.01 1.15 -0.73 -1.90 -0.35 115.58 112.21 2orl h ASN 63 Ca -0.07 0.17 0.23 0.00 1.87 0.00 0.00 56.30 58.49 2orl h ASN 63 Cb 1.31 0.22 -0.11 0.00 0.27 0.00 0.00 38.32 40.01 2orl h ASN 63 CO 0.08 -0.08 0.62 -0.03 -0.37 0.00 0.00 177.43 177.65 2orl h MET 64 N 0.26 0.57 -0.44 6.67 4.05 -1.66 -0.35 114.93 124.05 2orl h MET 64 Ca 0.49 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.77 2orl h MET 64 Cb 0.91 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.57 2orl h MET 64 CO -0.58 0.38 -0.15 0.77 0.23 0.00 0.00 176.91 177.56 2orl h SER 65 N 0.59 0.82 -0.94 1.39 0.02 -1.25 -1.51 113.55 112.67 2orl h SER 65 Ca 0.60 -0.27 0.15 0.00 -0.84 0.00 0.00 61.79 61.44 2orl h SER 65 Cb 1.18 -0.22 -0.10 0.00 0.14 0.00 0.00 62.40 63.40 2orl h SER 65 CO -0.38 0.97 0.54 -0.33 -1.14 0.00 0.00 176.83 176.49 2orl h GLU 66 N 0.73 0.74 0.17 3.45 5.08 -0.99 -1.31 114.58 122.45 2orl h GLU 66 Ca 0.11 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.20 2orl h GLU 66 Cb 0.66 -0.17 0.02 0.00 0.50 0.00 0.00 28.75 29.77 2orl h GLU 66 CO 0.05 0.49 -1.01 -0.92 -1.00 0.00 0.00 179.01 176.62 2orl h TYR 67 N 0.76 0.65 -0.71 4.33 3.20 -1.37 -3.36 116.97 120.48 2orl h TYR 67 Ca 0.51 -0.47 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 2orl h TYR 67 Cb 0.70 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 2orl h TYR 67 CO -0.04 1.39 0.22 -0.07 -1.64 0.00 0.00 178.16 178.02 2orl h LEU 68 N -0.24 1.03 -1.41 2.82 3.38 -0.93 -1.87 115.31 118.09 2orl h LEU 68 Ca -0.18 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.65 2orl h LEU 68 Cb 1.78 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.22 2orl h LEU 68 CO 0.18 0.96 0.44 0.74 0.09 0.00 0.00 178.44 180.85 2orl h THR 69 N 1.06 1.06 -0.81 0.22 2.02 -1.39 -1.03 112.91 114.04 2orl h THR 69 Ca 0.23 -0.26 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 2orl h THR 69 Cb 0.30 0.24 -0.18 0.00 -1.74 0.00 0.00 68.15 66.76 2orl h THR 69 CO -0.01 0.14 -0.37 0.21 0.37 0.00 0.00 175.52 175.86 2orl s ASN 70 N -6.31 -1.23 0.22 4.18 2.47 -1.14 -4.23 114.94 108.90 2orl s ASN 70 Ca -0.10 -0.73 -0.09 0.00 0.42 0.00 0.00 52.86 52.36 2orl s ASN 70 Cb 0.19 1.58 0.18 0.00 -1.45 0.00 0.00 41.25 41.75 2orl s ASN 70 CO 0.77 -0.12 1.88 1.55 -3.72 0.00 0.00 177.10 177.45 2orl h PRO 71 N 6.38 1.09 -0.54 0.43 0.13 -1.56 -2.02 132.00 135.91 2orl h PRO 71 Ca 0.03 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 2orl h PRO 71 Cb 1.18 -0.24 -0.03 0.00 0.13 0.00 0.00 31.00 32.05 2orl h PRO 71 CO 0.05 0.74 0.29 0.87 -0.23 0.00 0.00 178.00 179.72 2orl h LYS 72 N 1.12 0.73 0.17 0.86 6.56 -1.82 0.15 116.57 124.35 2orl h LYS 72 Ca 0.30 -0.07 -0.31 0.00 -1.06 0.00 0.00 60.65 59.50 2orl h LYS 72 Cb -0.10 -0.15 0.03 0.00 -0.57 0.00 0.00 32.23 31.44 2orl h LYS 72 CO -0.06 0.54 -1.33 -0.22 -2.06 0.00 0.00 179.45 176.32 2orl h LYS 73 N 0.74 0.57 -0.24 3.15 1.63 -1.88 -3.15 116.57 117.39 2orl h LYS 73 Ca 0.19 -0.84 -0.19 0.00 -0.85 0.00 0.00 60.65 58.96 2orl h LYS 73 Cb 0.02 0.29 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2orl h LYS 73 CO -0.03 1.39 -0.60 -0.92 -3.45 0.00 0.00 179.45 175.84 2orl h TYR 74 N 0.21 1.07 -2.98 1.91 3.20 -1.20 -3.40 116.97 115.79 2orl h TYR 74 Ca -0.21 -0.41 -0.60 0.00 3.14 0.00 0.00 58.73 60.65 2orl h TYR 74 Cb 2.01 -0.19 -0.40 0.00 1.54 0.00 0.00 36.73 39.70 2orl h TYR 74 CO 0.12 1.24 -0.76 0.42 -1.64 0.00 0.00 178.16 177.54 2orl s ILE 75 N -4.01 1.10 -0.37 1.81 1.01 0.51 -5.10 121.20 116.16 2orl s ILE 75 Ca -0.11 -2.13 -0.28 0.00 0.00 0.00 0.00 60.65 58.13 2orl s ILE 75 Cb 0.09 -1.79 -0.02 0.00 0.01 0.00 0.00 42.46 40.75 2orl s ILE 75 CO 0.89 -0.85 1.82 -2.16 0.00 0.00 0.00 174.94 174.64 2orl s PRO 76 N 0.79 3.22 0.00 2.79 0.04 -1.19 -2.65 135.00 138.01 2orl s PRO 76 Ca 0.16 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2orl s PRO 76 Cb -0.22 -4.23 0.00 0.00 0.04 0.00 0.00 34.50 30.09 2orl s PRO 76 CO -0.06 -1.99 0.00 0.41 0.04 0.00 0.00 177.00 175.40 2orl n GLY 77 N 5.46 0.90 3.78 0.56 0.00 -1.26 -4.72 105.19 109.91 2orl n GLY 77 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 2orl n GLY 77 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2orl s THR 78 N -2.00 3.38 0.27 2.61 -1.32 -1.08 -4.92 115.64 112.58 2orl s THR 78 Ca 0.00 1.04 0.28 0.00 -1.21 0.00 0.00 61.69 61.80 2orl s THR 78 Cb 0.00 -3.52 0.30 0.00 -1.51 0.00 0.00 72.50 67.76 2orl s THR 78 CO 0.00 -0.02 1.98 0.11 -2.21 0.00 0.00 174.62 174.48 2orl h LYS 79 N 2.20 0.00 -6.10 7.08 1.57 -1.99 -3.43 116.57 115.91 2orl h LYS 79 Ca -0.49 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.76 2orl h LYS 79 Cb 1.23 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 2orl h LYS 79 CO 0.61 0.13 1.33 1.41 -0.57 0.00 0.00 179.45 182.36 2orl s MET 80 N -3.89 2.92 -0.42 3.15 1.75 -1.26 -4.87 119.30 116.69 2orl s MET 80 Ca -0.01 1.01 0.09 0.00 -1.25 0.00 0.00 55.69 55.53 2orl s MET 80 Cb 0.11 -4.31 0.42 0.00 2.84 0.00 0.00 34.83 33.90 2orl s MET 80 CO 0.59 -2.36 1.03 0.00 -0.65 0.00 0.00 175.02 173.63 2orl n ALA 81 N 11.79 4.44 0.36 4.11 0.00 -1.26 -4.61 120.51 135.33 2orl n ALA 81 Ca 0.22 -3.98 0.02 0.00 0.00 0.00 0.00 53.44 49.70 2orl n ALA 81 Cb 0.50 -0.69 0.14 0.00 0.00 0.00 0.00 19.45 19.40 2orl n ALA 81 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2orl n PHE 82 N -0.31 0.73 0.00 0.00 -1.74 -1.26 -4.93 117.46 109.94 2orl n PHE 82 Ca 0.29 -0.25 0.00 0.00 -0.56 0.00 0.00 57.45 56.93 2orl n PHE 82 Cb 0.68 -0.24 0.00 0.00 1.52 0.00 0.00 39.48 41.44 2orl n PHE 82 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2orl n GLY 83 N 0.24 1.67 0.34 4.97 0.00 -1.26 -4.75 105.19 106.40 2orl n GLY 83 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.44 3.49 -0.02 0.00 -1.26 -4.91 105.19 102.04 2orl n GLY 84 Ca 0.00 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 2orl n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2orl n LEU 85 N 0.00 4.08 0.31 0.99 4.77 -0.39 -4.76 117.00 122.00 2orl n LEU 85 Ca 0.00 -3.49 0.20 0.00 -0.03 0.00 0.00 56.01 52.69 2orl n LEU 85 Cb 0.00 -1.69 0.99 0.00 -2.33 0.00 0.00 43.42 40.39 2orl n LEU 85 CO 0.00 -0.79 1.10 0.11 -1.33 0.00 0.00 177.39 176.48 2orl h LYS 86 N 8.53 0.00 -6.65 3.23 1.57 -1.79 -3.35 116.57 118.10 2orl h LYS 86 Ca 0.34 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.56 2orl h LYS 86 Cb 0.87 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.11 2orl h LYS 86 CO 1.41 0.00 0.92 0.15 -0.57 0.00 0.00 179.45 181.36 2orl s LYS 87 N -3.94 3.66 0.14 3.15 1.02 -1.26 -4.96 119.74 117.55 2orl s LYS 87 Ca -0.02 0.46 -0.18 0.00 0.02 0.00 0.00 55.97 56.25 2orl s LYS 87 Cb 0.11 -3.93 0.01 0.00 -0.52 0.00 0.00 37.83 33.50 2orl s LYS 87 CO 0.47 -1.45 1.72 1.49 -0.92 0.00 0.00 175.35 176.67 2orl h GLU 88 N 9.30 0.10 -0.99 1.68 4.81 -1.99 -2.72 114.58 124.77 2orl h GLU 88 Ca -0.24 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.10 2orl h GLU 88 Cb 1.06 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.34 2orl h GLU 88 CO 1.14 0.07 0.63 0.87 -0.73 0.00 0.00 179.01 180.98 2orl h LYS 89 N 0.11 0.96 -0.70 1.92 1.79 -1.93 0.17 116.57 118.89 2orl h LYS 89 Ca 0.12 -0.06 -0.05 0.00 -2.18 0.00 0.00 60.65 58.48 2orl h LYS 89 Cb 0.15 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.55 2orl h LYS 89 CO -0.19 0.63 0.22 -0.44 -1.08 0.00 0.00 179.45 178.59 2orl h ASP 90 N 0.99 1.01 0.29 0.86 5.19 -1.92 -3.04 116.42 119.79 2orl h ASP 90 Ca 0.48 -0.21 -0.22 0.00 -0.62 0.00 0.00 57.03 56.47 2orl h ASP 90 Cb 0.47 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.72 2orl h ASP 90 CO -0.25 0.95 -0.91 0.03 -3.12 0.00 0.00 179.24 175.94 2orl h ARG 91 N 1.02 0.44 -0.98 3.56 3.08 -0.90 -3.28 114.38 117.32 2orl h ARG 91 Ca 0.23 -0.45 0.15 0.00 0.07 0.00 0.00 59.98 59.98 2orl h ARG 91 Cb 0.30 0.12 -0.16 0.00 0.08 0.00 0.00 29.97 30.31 2orl h ARG 91 CO -0.01 1.11 -0.38 0.09 -1.07 0.00 0.00 179.97 179.71 2orl n ASN 92 N -3.77 -0.63 -0.08 7.04 3.02 -0.08 -0.34 115.26 120.43 2orl n ASN 92 Ca -0.07 1.71 -0.10 0.00 -0.03 0.00 0.00 54.58 56.09 2orl n ASN 92 Cb 0.82 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 39.63 2orl n ASN 92 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2orl h ASP 93 N 0.00 0.83 -0.85 6.41 1.82 -1.68 -3.19 116.42 119.74 2orl h ASP 93 Ca 0.34 -0.36 0.03 0.00 -0.39 0.00 0.00 57.03 56.66 2orl h ASP 93 Cb 0.59 -0.23 -0.05 0.00 0.68 0.00 0.00 39.33 40.32 2orl h ASP 93 CO -0.97 1.10 0.56 -0.07 -1.61 0.00 0.00 179.24 178.25 2orl h LEU 94 N 0.65 0.92 0.22 2.28 3.38 -0.74 -2.62 115.31 119.39 2orl h LEU 94 Ca 0.06 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2orl h LEU 94 Cb 0.91 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.45 2orl h LEU 94 CO 0.08 0.63 -0.10 0.40 0.09 0.00 0.00 178.44 179.54 2orl h ILE 95 N 1.07 0.81 -0.95 1.22 2.04 -0.94 -1.83 117.51 118.92 2orl h ILE 95 Ca 0.34 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 66.18 2orl h ILE 95 Cb 0.02 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 2orl h ILE 95 CO -0.10 0.03 0.60 0.74 0.00 0.00 0.00 178.15 179.42 2orl h THR 96 N -0.35 1.00 0.51 -0.27 2.02 -1.57 0.30 112.91 114.55 2orl h THR 96 Ca -0.03 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 2orl h THR 96 Cb 0.27 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.56 2orl h THR 96 CO 0.05 0.19 -0.24 0.22 0.37 0.00 0.00 175.52 176.10 2orl h TYR 97 N 1.03 -0.63 -0.49 3.16 3.20 -1.21 -0.87 116.97 121.15 2orl h TYR 97 Ca 0.44 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.29 2orl h TYR 97 Cb 0.31 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 2orl h TYR 97 CO -0.02 -0.33 0.27 1.25 -1.64 0.00 0.00 178.16 177.69 2orl h LEU 98 N -0.84 0.61 -0.87 2.82 5.85 -1.10 -2.56 115.31 119.22 2orl h LEU 98 Ca -0.07 -0.09 0.11 0.00 0.84 0.00 0.00 57.88 58.67 2orl h LEU 98 Cb 0.59 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 2orl h LEU 98 CO 0.11 0.52 0.50 0.50 -0.34 0.00 0.00 178.44 179.74 2orl h LYS 99 N 0.64 0.79 -0.00 1.25 3.64 -0.42 -0.18 116.57 122.29 2orl h LYS 99 Ca 0.17 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.40 2orl h LYS 99 Cb 0.05 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 2orl h LYS 99 CO -0.03 0.52 -0.50 -0.22 -2.27 0.00 0.00 179.45 176.95 2orl h LYS 100 N 0.82 0.01 0.16 1.90 1.63 -0.77 -1.69 116.57 118.63 2orl h LYS 100 Ca 0.43 -0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.93 2orl h LYS 100 Cb 0.42 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.07 2orl h LYS 100 CO -0.26 0.51 -1.30 0.00 -3.45 0.00 0.00 179.45 174.94 2orl h ALA 101 N 1.49 0.03 0.14 5.00 0.00 -1.06 -3.35 119.26 121.51 2orl h ALA 101 Ca -0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 54.91 53.74 2orl h ALA 101 Cb 0.89 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.77 2orl h ALA 101 CO 0.07 0.88 -1.23 1.15 0.00 0.00 0.00 179.25 180.11 2orl h THR 102 N 0.11 1.30 0.00 0.00 2.02 -1.02 -3.46 112.91 111.86 2orl h THR 102 Ca -0.17 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.53 2orl h THR 102 Cb 2.02 2.79 0.00 0.00 -1.74 0.00 0.00 68.15 71.21 2orl h THR 102 CO 0.23 0.75 0.00 -1.84 0.37 0.00 0.00 175.52 175.03