#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 0.52 -2.27 -2.82 0.00 -1.26 -5.16 120.64 109.65 2orl n GLU -4 Ca 0.00 -1.30 -0.32 0.00 0.00 0.00 0.00 57.16 55.55 2orl n GLU -4 Cb 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 31.44 30.58 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 0.37 3.51 -0.28 4.31 5.36 -1.26 -4.76 117.98 125.22 2orl s PHE -3 Ca 0.27 1.38 -0.16 0.00 -0.96 0.00 0.00 56.93 57.46 2orl s PHE -3 Cb 0.24 -2.74 0.11 0.00 -0.34 0.00 0.00 43.02 40.28 2orl s PHE -3 CO -0.16 -0.45 0.82 0.21 -1.46 0.00 0.00 175.22 174.18 2orl s LYS -2 N -4.40 0.56 0.36 10.12 2.20 -1.26 -5.13 119.74 122.19 2orl s LYS -2 Ca 0.57 0.97 -0.26 0.00 -0.36 0.00 0.00 55.97 56.90 2orl s LYS -2 Cb -0.10 0.11 -0.12 0.00 -1.51 0.00 0.00 37.83 36.21 2orl s LYS -2 CO 0.38 -0.12 0.94 0.00 -0.36 0.00 0.00 175.35 176.20 2orl n ALA -1 N 4.05 -0.24 -2.60 3.13 0.00 -1.26 -4.47 120.51 119.11 2orl n ALA -1 Ca -0.19 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2orl n ALA -1 Cb 0.58 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 1.29 3.87 3.47 0.00 0.00 -1.26 -4.90 105.19 107.65 2orl n GLY 1 Ca 0.10 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 0.21 -0.60 0.30 1.61 0.01 -1.26 -5.01 113.70 108.95 2orl s SER 2 Ca 0.00 1.15 0.06 0.00 1.31 0.00 0.00 55.95 58.47 2orl s SER 2 Cb 0.00 1.16 0.79 0.00 0.21 0.00 0.00 66.02 68.17 2orl s SER 2 CO 0.00 -0.20 1.70 0.00 0.41 0.00 0.00 173.24 175.15 2orl h ALA 3 N 5.37 1.55 0.00 1.44 0.00 -1.89 -0.20 119.26 125.53 2orl h ALA 3 Ca -0.28 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2orl h ALA 3 Cb 1.17 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2orl h ALA 3 CO 0.15 -0.33 0.00 1.17 0.00 0.00 0.00 179.25 180.24 2orl n LYS 4 N -5.00 0.73 -0.05 0.00 4.81 -1.26 -2.52 118.16 114.87 2orl n LYS 4 Ca 0.24 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.58 2orl n LYS 4 Cb 0.69 -1.39 -0.03 0.00 0.02 0.00 0.00 35.03 34.32 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 -0.89 0.21 0.29 1.64 5.02 -0.13 -4.60 118.16 119.69 2orl n LYS 5 Ca 0.14 0.09 0.14 0.00 -2.02 0.00 0.00 58.31 56.66 2orl n LYS 5 Cb 0.06 -0.85 0.85 0.00 -0.02 0.00 0.00 35.03 35.07 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 -0.36 0.00 0.99 0.72 0.00 -1.53 -2.84 103.07 100.06 2orl h GLY 6 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2orl h GLY 6 CO -0.14 0.00 0.17 0.00 0.00 0.00 0.00 176.54 176.57 2orl h ALA 7 N 1.97 0.34 -0.91 3.60 0.00 -1.74 -2.59 119.26 119.92 2orl h ALA 7 Ca -0.00 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.08 2orl h ALA 7 Cb 0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2orl h ALA 7 CO 0.00 -0.18 0.60 1.79 0.00 0.00 0.00 179.25 181.46 2orl h THR 8 N 0.35 0.69 0.00 0.00 1.35 -1.75 -0.92 112.91 112.63 2orl h THR 8 Ca 0.10 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 2orl h THR 8 Cb -0.02 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 66.59 2orl h THR 8 CO -0.02 0.09 0.00 0.18 -0.25 0.00 0.00 175.52 175.52 2orl n LEU 9 N -4.54 1.14 -0.28 3.87 7.99 -0.99 -3.64 117.00 120.54 2orl n LEU 9 Ca 0.20 0.32 0.23 0.00 -0.01 0.00 0.00 56.01 56.74 2orl n LEU 9 Cb 0.67 -0.01 0.43 0.00 -0.11 0.00 0.00 43.42 44.40 2orl n LEU 9 CO 0.29 -0.01 0.85 0.33 -1.51 0.00 0.00 177.39 177.34 2orl n PHE 10 N -0.53 0.87 -0.12 -1.77 -0.00 -1.11 -0.50 117.46 114.31 2orl n PHE 10 Ca 0.00 1.03 0.21 0.00 -0.00 0.00 0.00 57.45 58.69 2orl n PHE 10 Cb 0.00 -1.35 0.63 0.00 -0.00 0.00 0.00 39.48 38.76 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 0.15 -0.06 -4.13 1.63 -1.25 0.35 116.57 113.26 2orl h LYS 11 Ca 0.67 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 60.32 2orl h LYS 11 Cb 1.68 -0.03 -0.26 0.00 -0.60 0.00 0.00 32.23 33.01 2orl h LYS 11 CO -0.71 0.10 -0.86 -2.37 -3.45 0.00 0.00 179.45 172.16 2orl n THR 12 N -4.39 0.92 0.00 1.00 5.66 0.35 -4.34 114.28 113.48 2orl n THR 12 Ca 0.14 -2.01 0.00 0.00 -3.05 0.00 0.00 64.05 59.13 2orl n THR 12 Cb 0.69 0.53 0.00 0.00 -1.55 0.00 0.00 70.33 70.00 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 -0.16 0.00 0.00 1.09 5.12 -0.83 -4.97 116.66 116.91 2orl n ARG 13 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2orl n ARG 13 Cb 0.97 -0.46 0.00 0.00 -1.16 0.00 0.00 32.46 31.80 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 0.65 -1.38 0.00 5.85 -0.66 -1.60 115.31 118.18 2orl h LEU 15 Ca 0.00 0.12 0.46 0.00 0.84 0.00 0.00 57.88 59.30 2orl h LEU 15 Cb 0.61 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.52 2orl h LEU 15 CO 0.00 0.13 0.86 0.06 -0.34 0.00 0.00 178.44 179.16 2orl h GLN 16 N 0.58 0.04 0.00 1.25 3.07 -1.82 -3.17 115.11 115.06 2orl h GLN 16 Ca 0.62 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.36 2orl h GLN 16 Cb 1.21 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.77 2orl h GLN 16 CO -0.42 0.03 -0.79 0.00 0.09 0.00 0.00 178.83 177.73 2orl s HIS 18 N -1.79 1.74 -0.07 0.00 3.76 -0.64 -1.12 115.29 117.17 2orl s HIS 18 Ca 0.00 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.54 2orl s HIS 18 Cb 0.00 -2.72 0.02 0.00 1.11 0.00 0.00 32.58 31.00 2orl s HIS 18 CO 0.00 -1.39 -0.07 0.95 -0.85 0.00 0.00 174.74 173.38 2orl s THR 19 N -2.93 0.81 -0.18 1.30 -4.23 -1.25 -4.50 115.64 104.66 2orl s THR 19 Ca 0.63 -0.23 0.16 0.00 -1.18 0.00 0.00 61.69 61.07 2orl s THR 19 Cb -0.06 -0.81 0.09 0.00 1.34 0.00 0.00 72.50 73.06 2orl s THR 19 CO 0.42 0.30 1.46 1.62 -0.54 0.00 0.00 174.62 177.88 2orl h VAL 20 N 6.12 0.78 -4.81 2.29 3.04 -1.95 -2.49 116.25 119.23 2orl h VAL 20 Ca -0.31 -2.09 -0.44 0.00 -1.01 0.00 0.00 66.70 62.84 2orl h VAL 20 Cb 1.15 2.38 -0.08 0.00 -2.01 0.00 0.00 31.29 32.74 2orl h VAL 20 CO 0.43 0.44 -0.30 -1.84 -1.01 0.00 0.00 177.57 175.29 2orl n GLU 21 N -3.22 1.13 -0.90 4.17 -0.00 -1.26 -4.02 120.64 116.55 2orl n GLU 21 Ca 0.02 -2.47 -0.02 0.00 -0.00 0.00 0.00 57.16 54.70 2orl n GLU 21 Cb 0.71 0.60 0.31 0.00 -0.00 0.00 0.00 31.44 33.06 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 -0.94 3.61 -0.05 3.44 5.02 -1.26 -4.45 118.16 123.53 2orl n LYS 22 Ca -0.12 -3.08 0.01 0.00 -2.02 0.00 0.00 58.31 53.10 2orl n LYS 22 Cb 0.43 -2.14 -0.16 0.00 -0.02 0.00 0.00 35.03 33.14 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 -0.19 -1.00 3.71 0.72 0.00 -1.26 -4.94 105.19 102.23 2orl n GLY 23 Ca 0.36 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 -4.97 2.52 0.86 -0.02 0.00 -1.26 -5.07 107.32 99.37 2orl s GLY 24 Ca -0.09 0.03 -0.11 0.00 0.00 0.00 0.00 44.72 44.55 2orl s GLY 24 CO 0.87 1.10 1.15 2.56 0.00 0.00 0.00 173.10 178.78 2orl s PRO 25 N 0.87 1.44 -0.21 2.90 0.04 -1.26 -4.88 135.00 133.89 2orl s PRO 25 Ca 0.34 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 2orl s PRO 25 Cb -0.17 -1.78 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2orl s PRO 25 CO 0.16 -2.32 1.94 -1.01 0.04 0.00 0.00 177.00 175.81 2orl s HIS 26 N -2.57 1.56 0.00 0.56 3.76 -1.26 -4.88 115.29 112.45 2orl s HIS 26 Ca 0.67 0.41 0.00 0.00 -0.15 0.00 0.00 55.06 56.00 2orl s HIS 26 Cb -0.23 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.42 2orl s HIS 26 CO 0.55 -3.76 0.00 1.63 -0.85 0.00 0.00 174.74 172.31 2orl n LYS 27 N 8.25 0.56 0.27 1.40 5.02 -1.24 -4.87 118.16 127.54 2orl n LYS 27 Ca 0.24 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.68 2orl n LYS 27 Cb 0.45 0.00 0.74 0.00 -0.02 0.00 0.00 35.03 36.20 2orl n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2orl h VAL 28 N 0.00 0.29 -3.34 -0.18 2.07 -1.81 -3.44 116.25 109.84 2orl h VAL 28 Ca 0.00 -0.56 -0.45 0.00 0.82 0.00 0.00 66.70 66.52 2orl h VAL 28 Cb 0.00 1.42 -0.17 0.00 -1.52 0.00 0.00 31.29 31.02 2orl h VAL 28 CO 0.00 0.08 -0.76 -0.83 0.02 0.00 0.00 177.57 176.08 2orl s GLY 29 N -4.20 1.24 1.17 2.17 0.00 -0.28 -4.98 107.32 102.44 2orl s GLY 29 Ca -0.01 -1.44 -0.18 0.00 0.00 0.00 0.00 44.72 43.09 2orl s GLY 29 CO 0.55 -1.51 1.10 2.56 0.00 0.00 0.00 173.10 175.81 2orl s PRO 30 N -2.99 -0.97 -0.03 2.90 0.04 -1.26 -4.39 135.00 128.30 2orl s PRO 30 Ca 0.14 0.06 -0.29 0.00 0.04 0.00 0.00 61.00 60.96 2orl s PRO 30 Cb -0.04 -1.61 -0.03 0.00 0.04 0.00 0.00 34.50 32.86 2orl s PRO 30 CO 0.05 -3.57 0.92 1.21 0.04 0.00 0.00 177.00 175.65 2orl s ASN 31 N -3.77 7.27 0.03 6.66 3.84 -1.26 -3.91 114.94 123.81 2orl s ASN 31 Ca 0.70 1.54 0.23 0.00 0.21 0.00 0.00 52.86 55.54 2orl s ASN 31 Cb -0.12 -2.53 0.12 0.00 -0.55 0.00 0.00 41.25 38.17 2orl s ASN 31 CO 0.57 -0.25 1.11 0.18 -2.79 0.00 0.00 177.10 175.91 2orl n LEU 32 N 4.01 0.64 -4.56 3.21 4.77 -0.94 -4.83 117.00 119.31 2orl n LEU 32 Ca 0.05 -0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.70 2orl n LEU 32 Cb 0.51 -0.12 -0.05 0.00 -2.33 0.00 0.00 43.42 41.43 2orl n LEU 32 CO 0.51 0.09 1.43 -2.28 -1.33 0.00 0.00 177.39 175.81 2orl s HIS 33 N -3.12 1.42 0.00 -1.77 2.46 -1.25 -1.97 115.29 111.06 2orl s HIS 33 Ca 0.06 1.31 0.00 0.00 0.47 0.00 0.00 55.06 56.90 2orl s HIS 33 Cb 0.15 -3.75 0.00 0.00 -0.13 0.00 0.00 32.58 28.85 2orl s HIS 33 CO 0.79 -1.87 0.00 0.41 -2.47 0.00 0.00 174.74 171.60 2orl n GLY 34 N 6.56 1.38 0.12 1.59 0.00 -1.26 -4.93 105.19 108.65 2orl n GLY 34 Ca 0.40 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 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 0.92 -1.54 -0.61 3.07 -1.73 -3.41 117.51 114.21 2orl h ILE 35 Ca 0.00 -0.07 -0.65 0.00 1.55 0.00 0.00 64.86 65.69 2orl h ILE 35 Cb 0.00 0.71 -0.00 0.00 -0.27 0.00 0.00 36.82 37.26 2orl h ILE 35 CO 0.00 0.04 1.28 0.49 -1.05 0.00 0.00 178.15 178.90 2orl n PHE 36 N -5.05 1.92 0.00 0.16 3.72 -1.26 -0.78 117.46 116.18 2orl n PHE 36 Ca -0.01 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.55 2orl n PHE 36 Cb 0.09 -2.59 0.00 0.00 -0.94 0.00 0.00 39.48 36.04 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 5.55 0.73 3.88 1.37 0.00 -0.47 -5.03 105.19 111.22 2orl n GLY 37 Ca 0.33 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.77 2.55 0.35 1.61 0.52 0.04 -4.89 118.95 118.36 2orl s ARG 38 Ca 0.00 -1.51 0.03 0.00 -0.52 0.00 0.00 55.73 53.73 2orl s ARG 38 Cb 0.00 -2.40 -0.02 0.00 0.52 0.00 0.00 34.95 33.05 2orl s ARG 38 CO 0.00 -0.19 0.52 -1.01 0.02 0.00 0.00 175.30 174.63 2orl s HIS 39 N -2.46 3.30 0.19 -0.53 3.76 -1.26 -1.23 115.29 117.06 2orl s HIS 39 Ca 0.48 0.07 -0.31 0.00 -0.15 0.00 0.00 55.06 55.15 2orl s HIS 39 Cb -0.04 -1.96 -0.09 0.00 1.11 0.00 0.00 32.58 31.60 2orl s HIS 39 CO 0.28 0.03 1.42 -1.12 -0.85 0.00 0.00 174.74 174.50 2orl s SER 40 N -4.11 6.74 0.00 1.40 0.01 -0.04 -3.92 113.70 113.77 2orl s SER 40 Ca 0.42 2.51 0.00 0.00 1.31 0.00 0.00 55.95 60.19 2orl s SER 40 Cb -0.10 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2orl s SER 40 CO 0.33 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.92 2orl n GLY 41 N 2.85 0.88 0.06 3.44 0.00 -1.26 -4.05 105.19 107.11 2orl n GLY 41 Ca 0.09 -0.26 0.03 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.24 1.87 -1.62 1.61 6.02 -1.25 -4.94 117.38 118.83 2orl n GLN 42 Ca 0.00 -1.74 -0.49 0.00 -0.01 0.00 0.00 57.00 54.77 2orl n GLN 42 Cb 0.20 -1.09 -0.05 0.00 1.02 0.00 0.00 30.24 30.33 2orl n GLN 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2orl n ALA 43 N -0.74 -0.09 -1.79 -1.58 0.00 -1.26 -4.85 120.51 110.20 2orl n ALA 43 Ca 0.06 0.48 -0.40 0.00 0.00 0.00 0.00 53.44 53.57 2orl n ALA 43 Cb 0.44 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 2orl n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2orl n GLU 44 N 2.53 2.31 0.00 0.00 4.71 -1.26 -3.27 120.64 125.67 2orl n GLU 44 Ca 0.16 -2.49 0.00 0.00 -0.01 0.00 0.00 57.16 54.82 2orl n GLU 44 Cb 0.24 -3.30 0.00 0.00 -1.01 0.00 0.00 31.44 27.38 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 4.78 1.35 2.91 0.62 0.00 -1.26 -5.04 105.19 108.54 2orl n GLY 45 Ca 0.49 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.35 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 -1.71 0.44 0.12 1.61 6.14 -1.20 -5.00 117.35 117.75 2orl s TYR 46 Ca 0.00 -0.08 -0.17 0.00 0.64 0.00 0.00 57.07 57.46 2orl s TYR 46 Cb 0.00 -0.35 -0.07 0.00 0.42 0.00 0.00 41.96 41.96 2orl s TYR 46 CO 0.00 -0.06 0.58 -1.54 0.64 0.00 0.00 175.55 175.17 2orl s SER 47 N 0.28 6.95 0.33 4.32 1.04 -1.26 -4.49 113.70 120.86 2orl s SER 47 Ca -0.03 1.19 0.08 0.00 0.48 0.00 0.00 55.95 57.67 2orl s SER 47 Cb -0.06 -2.33 -0.03 0.00 0.10 0.00 0.00 66.02 63.69 2orl s SER 47 CO -0.00 0.17 0.23 -0.31 0.98 0.00 0.00 173.24 174.30 2orl s TYR 48 N -1.33 2.86 0.87 5.02 2.02 -1.26 -5.03 117.35 120.50 2orl s TYR 48 Ca 0.35 -0.30 -0.12 0.00 -0.37 0.00 0.00 57.07 56.62 2orl s TYR 48 Cb -0.17 -1.70 0.11 0.00 -0.40 0.00 0.00 41.96 39.80 2orl s TYR 48 CO 0.19 0.27 1.13 0.95 -1.57 0.00 0.00 175.55 176.52 2orl s THR 49 N -2.32 2.36 0.41 -0.71 -4.23 -1.26 -4.93 115.64 104.95 2orl s THR 49 Ca 0.39 0.12 0.11 0.00 -1.18 0.00 0.00 61.69 61.12 2orl s THR 49 Cb -0.05 -2.88 0.32 0.00 1.34 0.00 0.00 72.50 71.22 2orl s THR 49 CO 0.25 -0.15 1.97 -0.78 -0.54 0.00 0.00 174.62 175.37 2orl h ASP 50 N -1.33 0.48 0.55 3.99 3.58 -1.95 -2.88 116.42 118.86 2orl h ASP 50 Ca -0.49 0.01 -0.29 0.00 0.42 0.00 0.00 57.03 56.68 2orl h ASP 50 Cb 1.31 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2orl h ASP 50 CO 0.61 0.30 -1.45 0.00 -2.88 0.00 0.00 179.24 175.82 2orl h ALA 51 N 1.66 0.32 -0.25 -0.78 0.00 -1.94 -3.26 119.26 115.02 2orl h ALA 51 Ca 0.30 -1.10 -0.14 0.00 0.00 0.00 0.00 54.91 53.96 2orl h ALA 51 Cb 0.46 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2orl h ALA 51 CO -0.09 1.19 -0.44 -0.97 0.00 0.00 0.00 179.25 178.93 2orl h ASN 52 N 0.05 0.68 0.16 0.00 -0.73 -1.87 -3.01 115.58 110.85 2orl h ASN 52 Ca -0.21 -0.32 -0.01 0.00 1.87 0.00 0.00 56.30 57.64 2orl h ASN 52 Cb 1.98 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 40.38 2orl h ASN 52 CO 0.15 1.02 -0.07 0.40 -0.37 0.00 0.00 177.43 178.56 2orl h ILE 53 N 0.51 0.00 -0.27 2.57 2.04 -1.68 -2.90 117.51 117.78 2orl h ILE 53 Ca 0.04 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.88 2orl h ILE 53 Cb 0.96 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2orl h ILE 53 CO 0.09 0.00 0.93 0.29 0.00 0.00 0.00 178.15 179.46 2orl n LYS 54 N -2.82 0.02 0.08 2.37 5.02 -1.23 -0.77 118.16 120.83 2orl n LYS 54 Ca -0.03 0.85 -0.19 0.00 -2.02 0.00 0.00 58.31 56.92 2orl n LYS 54 Cb 0.08 -2.24 -0.15 0.00 -0.02 0.00 0.00 35.03 32.71 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 0.33 -5.21 1.97 1.63 -1.37 -3.48 116.57 110.44 2orl h LYS 55 Ca 0.13 -0.57 -0.21 0.00 -0.85 0.00 0.00 60.65 59.16 2orl h LYS 55 Cb 1.99 0.21 -0.09 0.00 -0.60 0.00 0.00 32.23 33.74 2orl h LYS 55 CO -0.00 1.22 -0.31 0.09 -3.45 0.00 0.00 179.45 177.00 2orl n ASN 56 N -3.53 -0.03 -4.74 4.20 5.03 0.05 -4.86 115.26 111.37 2orl n ASN 56 Ca -0.18 -0.42 -0.41 0.00 0.87 0.00 0.00 54.58 54.44 2orl n ASN 56 Cb 1.06 -0.53 -0.03 0.00 -1.02 0.00 0.00 39.78 39.26 2orl n ASN 56 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2orl s VAL 57 N -2.82 3.22 -0.72 2.41 0.11 -1.26 -4.19 120.40 117.15 2orl s VAL 57 Ca 0.10 1.02 -0.26 0.00 -2.93 0.00 0.00 61.98 59.91 2orl s VAL 57 Cb -0.06 -3.65 0.04 0.00 -1.53 0.00 0.00 36.38 31.18 2orl s VAL 57 CO 0.33 0.16 1.21 -0.22 -3.33 0.00 0.00 175.10 173.26 2orl s LEU 58 N -0.23 3.42 -0.16 2.54 0.20 -1.26 -0.86 118.68 122.33 2orl s LEU 58 Ca 0.56 -0.54 -0.33 0.00 0.69 0.00 0.00 54.13 54.50 2orl s LEU 58 Cb -0.36 -2.55 -0.10 0.00 -0.43 0.00 0.00 46.19 42.75 2orl s LEU 58 CO 0.39 -1.75 2.00 0.79 -0.29 0.00 0.00 176.35 177.49 2orl n TRP 59 N 9.01 2.14 -4.25 5.38 5.03 -0.36 -4.86 117.44 129.53 2orl n TRP 59 Ca 0.02 0.01 -0.12 0.00 3.03 0.00 0.00 57.50 60.44 2orl n TRP 59 Cb 0.48 -2.66 -0.03 0.00 -1.03 0.00 0.00 31.31 28.08 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 8.15 1.75 0.40 -0.99 2.03 -1.26 -1.37 116.55 125.26 2orl n ASP 60 Ca 0.27 -1.88 -0.16 0.00 0.52 0.00 0.00 54.79 53.53 2orl n ASP 60 Cb 0.31 0.29 -0.08 0.00 -0.72 0.00 0.00 41.12 40.92 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 -1.00 -0.06 -0.67 4.57 -2.01 -2.50 114.58 112.91 2orl h GLU 61 Ca -0.15 0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 2orl h GLU 61 Cb 0.50 0.23 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 2orl h GLU 61 CO 0.24 -0.66 -0.16 -0.97 -1.18 0.00 0.00 179.01 176.28 2orl h ASN 62 N -1.25 0.24 -0.72 1.04 -1.24 -1.99 -3.33 115.58 108.33 2orl h ASN 62 Ca -0.11 -0.60 0.13 0.00 0.71 0.00 0.00 56.30 56.44 2orl h ASN 62 Cb 0.80 -0.07 -0.09 0.00 0.73 0.00 0.00 38.32 39.69 2orl h ASN 62 CO 0.17 0.80 0.26 -1.13 -1.29 0.00 0.00 177.43 176.25 2orl h ASN 63 N -0.30 0.22 -0.96 1.15 -0.73 -1.92 -1.52 115.58 111.54 2orl h ASN 63 Ca -0.00 0.11 0.16 0.00 1.87 0.00 0.00 56.30 58.44 2orl h ASN 63 Cb 0.77 0.10 -0.08 0.00 0.27 0.00 0.00 38.32 39.38 2orl h ASN 63 CO 0.03 0.09 0.60 -0.03 -0.37 0.00 0.00 177.43 177.76 2orl h MET 64 N 0.41 0.72 -0.32 6.67 4.05 -1.55 -1.59 114.93 123.31 2orl h MET 64 Ca 0.39 -0.04 -0.12 0.00 -0.28 0.00 0.00 59.70 59.64 2orl h MET 64 Cb 0.58 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 2orl h MET 64 CO -0.40 0.48 -0.30 0.77 0.23 0.00 0.00 176.91 177.69 2orl h SER 65 N 0.74 0.69 -0.93 1.39 0.02 -1.42 -0.80 113.55 113.25 2orl h SER 65 Ca 0.50 -0.27 0.14 0.00 -0.84 0.00 0.00 61.79 61.33 2orl h SER 65 Cb 0.80 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 63.07 2orl h SER 65 CO -0.27 0.95 0.59 1.05 -1.14 0.00 0.00 176.83 178.01 2orl h GLU 66 N 0.58 0.74 0.11 3.45 4.11 -1.13 -2.43 114.58 120.01 2orl h GLU 66 Ca 0.07 -0.04 -0.32 0.00 0.07 0.00 0.00 59.36 59.13 2orl h GLU 66 Cb 0.79 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2orl h GLU 66 CO 0.07 0.49 -1.73 -0.92 0.07 0.00 0.00 179.01 176.99 2orl h TYR 67 N 0.77 0.41 -0.96 2.06 3.20 -1.48 -3.39 116.97 117.56 2orl h TYR 67 Ca 0.47 -0.30 0.07 0.00 3.14 0.00 0.00 58.73 62.11 2orl h TYR 67 Cb 0.69 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.88 2orl h TYR 67 CO -0.00 1.68 0.62 -0.07 -1.64 0.00 0.00 178.16 178.75 2orl h LEU 68 N -0.20 0.97 -2.02 2.82 3.38 -0.88 -1.41 115.31 117.97 2orl h LEU 68 Ca -0.38 0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.65 2orl h LEU 68 Cb 1.85 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 2orl h LEU 68 CO 0.03 0.61 0.12 0.74 0.09 0.00 0.00 178.44 180.04 2orl h THR 69 N 1.10 0.89 -0.76 0.22 2.02 -1.64 -3.32 112.91 111.42 2orl h THR 69 Ca 0.42 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.55 2orl h THR 69 Cb 0.21 0.91 -0.17 0.00 -1.74 0.00 0.00 68.15 67.37 2orl h THR 69 CO -0.17 0.00 -0.36 0.21 0.37 0.00 0.00 175.52 175.57 2orl s ASN 70 N -6.75 -1.14 0.14 4.18 3.84 -0.82 -4.37 114.94 110.01 2orl s ASN 70 Ca -0.05 -0.93 -0.18 0.00 0.21 0.00 0.00 52.86 51.91 2orl s ASN 70 Cb 0.18 1.47 -0.02 0.00 -0.55 0.00 0.00 41.25 42.33 2orl s ASN 70 CO 0.68 -0.09 1.77 1.55 -2.79 0.00 0.00 177.10 178.23 2orl h PRO 71 N 5.70 0.44 -0.45 0.43 0.13 -1.47 -2.56 132.00 134.22 2orl h PRO 71 Ca 0.03 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 2orl h PRO 71 Cb 1.16 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2orl h PRO 71 CO 0.01 0.32 0.25 0.87 -0.23 0.00 0.00 178.00 179.22 2orl h LYS 72 N 0.43 0.61 -0.07 0.86 1.57 -1.76 -0.09 116.57 118.11 2orl h LYS 72 Ca 0.12 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.62 2orl h LYS 72 Cb -0.01 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 32.18 2orl h LYS 72 CO -0.02 0.45 -0.86 -0.22 -0.57 0.00 0.00 179.45 178.22 2orl h LYS 73 N 0.62 0.62 0.01 3.15 1.63 -1.91 -3.30 116.57 117.38 2orl h LYS 73 Ca 0.16 -0.57 -0.00 0.00 -0.85 0.00 0.00 60.65 59.39 2orl h LYS 73 Cb 0.01 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2orl h LYS 73 CO -0.03 1.18 -0.00 -0.92 -3.45 0.00 0.00 179.45 176.23 2orl h TYR 74 N 0.39 -0.01 -3.44 1.91 3.20 -1.15 -3.41 116.97 114.47 2orl h TYR 74 Ca -0.07 -0.00 -0.70 0.00 3.14 0.00 0.00 58.73 61.09 2orl h TYR 74 Cb 1.49 0.00 -0.33 0.00 1.54 0.00 0.00 36.73 39.43 2orl h TYR 74 CO 0.08 0.61 -0.49 0.42 -1.64 0.00 0.00 178.16 177.14 2orl s ILE 75 N -3.71 3.59 -0.19 1.81 1.01 -0.07 -5.08 121.20 118.56 2orl s ILE 75 Ca -0.17 -2.05 -0.29 0.00 0.00 0.00 0.00 60.65 58.15 2orl s ILE 75 Cb 0.00 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 2orl s ILE 75 CO 0.67 -0.73 1.77 -2.16 0.00 0.00 0.00 174.94 174.49 2orl s PRO 76 N 1.12 3.71 0.00 2.79 0.04 -1.24 -2.55 135.00 138.87 2orl s PRO 76 Ca 0.08 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2orl s PRO 76 Cb -0.23 -4.12 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2orl s PRO 76 CO -0.03 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.01 2orl n GLY 77 N 4.86 0.48 3.76 0.56 0.00 -1.26 -4.68 105.19 108.91 2orl n GLY 77 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.01 2.05 0.35 2.61 -1.32 -1.06 -4.94 115.64 111.32 2orl s THR 78 Ca 0.00 0.04 0.25 0.00 -1.21 0.00 0.00 61.69 60.77 2orl s THR 78 Cb 0.00 -3.02 0.26 0.00 -1.51 0.00 0.00 72.50 68.22 2orl s THR 78 CO 0.00 0.00 1.99 0.11 -2.21 0.00 0.00 174.62 174.51 2orl h LYS 79 N 1.99 0.00 -5.99 7.08 1.57 -1.98 -3.41 116.57 115.84 2orl h LYS 79 Ca -0.51 0.00 -0.47 0.00 -1.87 0.00 0.00 60.65 57.80 2orl h LYS 79 Cb 1.28 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.54 2orl h LYS 79 CO 0.60 0.17 1.18 1.41 -0.57 0.00 0.00 179.45 182.24 2orl s MET 80 N -4.08 2.75 -0.46 3.15 1.75 -1.26 -4.84 119.30 116.31 2orl s MET 80 Ca -0.02 0.18 0.04 0.00 -1.25 0.00 0.00 55.69 54.64 2orl s MET 80 Cb 0.13 -4.56 0.59 0.00 2.84 0.00 0.00 34.83 33.82 2orl s MET 80 CO 0.61 -2.76 1.83 0.00 -0.65 0.00 0.00 175.02 174.06 2orl n ALA 81 N 12.29 5.50 0.46 4.11 0.00 -1.26 -4.38 120.51 137.22 2orl n ALA 81 Ca 0.23 -3.10 0.10 0.00 0.00 0.00 0.00 53.44 50.67 2orl n ALA 81 Cb 0.50 -1.34 0.43 0.00 0.00 0.00 0.00 19.45 19.05 2orl n ALA 81 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2orl n PHE 82 N -1.08 0.54 0.00 0.00 7.35 -1.26 -4.94 117.46 118.06 2orl n PHE 82 Ca 0.55 0.21 0.00 0.00 -0.76 0.00 0.00 57.45 57.45 2orl n PHE 82 Cb 1.33 -0.84 0.00 0.00 0.35 0.00 0.00 39.48 40.32 2orl n PHE 82 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2orl n GLY 83 N 0.11 1.75 0.23 7.13 0.00 -1.26 -4.82 105.19 108.34 2orl n GLY 83 Ca 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.29 3.56 -0.02 0.00 -1.26 -4.63 105.19 101.55 2orl n GLY 84 Ca 0.00 -1.00 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 2orl n GLY 84 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2orl s LEU 85 N -0.07 3.32 0.20 0.99 0.05 -1.25 -4.82 118.68 117.09 2orl s LEU 85 Ca 0.00 0.29 0.21 0.00 0.05 0.00 0.00 54.13 54.68 2orl s LEU 85 Cb 0.00 -2.75 0.89 0.00 -2.05 0.00 0.00 46.19 42.28 2orl s LEU 85 CO 0.00 -2.07 1.63 0.29 -0.55 0.00 0.00 176.35 175.66 2orl n LYS 86 N 9.02 0.14 -2.62 1.48 4.76 -1.26 -4.64 118.16 125.04 2orl n LYS 86 Ca 0.16 0.40 -0.43 0.00 -2.87 0.00 0.00 58.31 55.57 2orl n LYS 86 Cb 0.50 -1.78 -0.02 0.00 -1.84 0.00 0.00 35.03 31.89 2orl n LYS 86 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2orl s LYS 87 N -3.25 3.96 0.11 1.97 1.02 -1.26 -4.97 119.74 117.31 2orl s LYS 87 Ca 0.04 0.91 -0.23 0.00 0.02 0.00 0.00 55.97 56.71 2orl s LYS 87 Cb 0.09 -3.79 -0.09 0.00 -0.52 0.00 0.00 37.83 33.51 2orl s LYS 87 CO 0.34 -1.06 1.70 1.49 -0.92 0.00 0.00 175.35 176.90 2orl h GLU 88 N 8.47 -0.14 -0.88 1.68 4.57 -1.96 -2.80 114.58 123.51 2orl h GLU 88 Ca -0.21 0.01 0.08 0.00 -1.18 0.00 0.00 59.36 58.06 2orl h GLU 88 Cb 1.06 0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.61 2orl h GLU 88 CO 1.06 -0.10 0.54 0.87 -1.18 0.00 0.00 179.01 180.20 2orl h LYS 89 N -0.15 0.91 -0.57 1.92 1.79 -1.93 -1.77 116.57 116.76 2orl h LYS 89 Ca 0.04 -0.05 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 2orl h LYS 89 Cb 0.20 -0.20 -0.05 0.00 -1.58 0.00 0.00 32.23 30.60 2orl h LYS 89 CO -0.09 0.60 0.32 -0.44 -1.08 0.00 0.00 179.45 178.75 2orl h ASP 90 N 0.93 0.48 0.11 0.86 5.19 -1.93 -2.53 116.42 119.53 2orl h ASP 90 Ca 0.40 0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.67 2orl h ASP 90 Cb 0.27 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 2orl h ASP 90 CO -0.21 0.33 -0.60 0.03 -3.12 0.00 0.00 179.24 175.66 2orl h ARG 91 N 0.61 0.50 -0.59 3.56 3.08 -1.14 -3.17 114.38 117.22 2orl h ARG 91 Ca 0.25 -0.34 0.09 0.00 0.07 0.00 0.00 59.98 60.05 2orl h ARG 91 Cb 0.12 0.05 -0.11 0.00 0.08 0.00 0.00 29.97 30.11 2orl h ARG 91 CO -0.15 0.95 -0.42 -0.91 -1.07 0.00 0.00 179.97 178.38 2orl h ASN 92 N 0.37 -1.43 -0.33 7.04 4.21 -0.89 -1.04 115.58 123.51 2orl h ASN 92 Ca -0.00 0.24 -0.12 0.00 1.21 0.00 0.00 56.30 57.62 2orl h ASN 92 Cb 1.15 0.66 -0.01 0.00 -1.12 0.00 0.00 38.32 39.00 2orl h ASN 92 CO 0.11 -0.33 -0.24 -0.78 -1.29 0.00 0.00 177.43 174.90 2orl h ASP 93 N -0.21 0.85 -0.95 5.81 1.82 -1.65 -3.18 116.42 118.92 2orl h ASP 93 Ca 0.19 -0.32 0.09 0.00 -0.39 0.00 0.00 57.03 56.60 2orl h ASP 93 Cb 0.56 -0.24 -0.08 0.00 0.68 0.00 0.00 39.33 40.26 2orl h ASP 93 CO -0.69 1.06 0.59 -0.07 -1.61 0.00 0.00 179.24 178.51 2orl h LEU 94 N 0.72 0.89 0.19 2.28 3.38 -1.26 -1.58 115.31 119.93 2orl h LEU 94 Ca 0.09 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2orl h LEU 94 Cb 0.78 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2orl h LEU 94 CO 0.06 0.52 -0.09 0.40 0.09 0.00 0.00 178.44 179.42 2orl h ILE 95 N 0.99 0.88 -0.97 1.22 2.04 -1.21 -2.22 117.51 118.24 2orl h ILE 95 Ca 0.44 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 66.06 2orl h ILE 95 Cb 0.34 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 2orl h ILE 95 CO -0.23 0.07 0.63 0.74 0.00 0.00 0.00 178.15 179.36 2orl h THR 96 N -0.39 1.15 0.62 -0.27 2.02 -1.51 0.30 112.91 114.83 2orl h THR 96 Ca -0.03 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 2orl h THR 96 Cb 0.30 -0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.56 2orl h THR 96 CO 0.04 0.22 -0.30 0.22 0.37 0.00 0.00 175.52 176.07 2orl h TYR 97 N 1.20 -0.77 -0.41 3.16 3.20 -1.17 0.16 116.97 122.34 2orl h TYR 97 Ca 0.39 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.26 2orl h TYR 97 Cb 0.03 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 2orl h TYR 97 CO -0.00 -0.45 0.24 1.25 -1.64 0.00 0.00 178.16 177.56 2orl h LEU 98 N -0.94 0.39 -0.83 2.82 7.12 -1.21 -2.40 115.31 120.27 2orl h LEU 98 Ca -0.09 0.00 0.13 0.00 0.13 0.00 0.00 57.88 58.06 2orl h LEU 98 Cb 0.67 -0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 40.63 2orl h LEU 98 CO 0.14 0.28 0.43 0.50 -0.13 0.00 0.00 178.44 179.66 2orl h LYS 99 N 0.49 0.62 0.00 1.25 3.64 -0.39 -0.26 116.57 121.92 2orl h LYS 99 Ca 0.16 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2orl h LYS 99 Cb 0.01 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2orl h LYS 99 CO -0.07 0.41 -0.45 -0.22 -2.27 0.00 0.00 179.45 176.85 2orl h LYS 100 N 0.64 0.00 0.16 1.90 1.63 -0.47 -1.52 116.57 118.90 2orl h LYS 100 Ca 0.44 0.00 -0.29 0.00 -0.85 0.00 0.00 60.65 59.95 2orl h LYS 100 Cb 0.58 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.22 2orl h LYS 100 CO -0.34 0.45 -1.30 0.00 -3.45 0.00 0.00 179.45 174.81 2orl h ALA 101 N 1.55 0.04 0.21 5.00 0.00 -0.99 -3.35 119.26 121.72 2orl h ALA 101 Ca -0.00 -0.89 -0.30 0.00 0.00 0.00 0.00 54.91 53.72 2orl h ALA 101 Cb 0.84 0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.72 2orl h ALA 101 CO 0.06 0.92 -1.31 1.15 0.00 0.00 0.00 179.25 180.07 2orl h THR 102 N 0.09 1.32 0.00 0.00 2.02 -1.01 -3.46 112.91 111.88 2orl h THR 102 Ca -0.16 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.40 2orl h THR 102 Cb 2.02 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 71.43 2orl h THR 102 CO 0.22 0.78 0.00 -1.84 0.37 0.00 0.00 175.52 175.05