#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2orl s GLU -4 N 0.00 0.96 0.06 -2.82 -6.30 -1.26 -5.15 118.70 104.19 2orl s GLU -4 Ca 0.00 -0.94 -0.29 0.00 -2.50 0.00 0.00 54.97 51.25 2orl s GLU -4 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 34.13 34.04 2orl s GLU -4 CO 0.00 -1.18 0.91 0.12 0.02 0.00 0.00 175.26 175.13 2orl s PHE -3 N 0.91 3.75 -0.06 5.30 5.36 -1.26 -4.82 117.98 127.16 2orl s PHE -3 Ca 0.29 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.95 2orl s PHE -3 Cb 0.02 -3.01 0.02 0.00 -0.34 0.00 0.00 43.02 39.71 2orl s PHE -3 CO -0.06 0.16 -0.04 0.21 -1.46 0.00 0.00 175.22 174.04 2orl s LYS -2 N 0.26 0.85 0.40 10.12 2.20 -1.26 -5.13 119.74 127.18 2orl s LYS -2 Ca 0.46 -0.08 -0.24 0.00 -0.36 0.00 0.00 55.97 55.75 2orl s LYS -2 Cb -0.22 -0.93 -0.11 0.00 -1.51 0.00 0.00 37.83 35.05 2orl s LYS -2 CO 0.27 -0.14 0.92 0.00 -0.36 0.00 0.00 175.35 176.04 2orl n ALA -1 N 4.34 -0.24 -2.51 3.13 0.00 -1.26 -4.35 120.51 119.62 2orl n ALA -1 Ca -0.20 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2orl n ALA -1 Cb 0.51 -2.01 0.00 0.00 0.00 0.00 0.00 19.45 17.95 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 1.31 3.59 3.48 0.00 0.00 -1.26 -4.86 105.19 107.46 2orl n GLY 1 Ca 0.10 -1.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.30 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 0.02 -0.60 0.27 1.61 0.01 -1.26 -5.04 113.70 108.71 2orl s SER 2 Ca 0.00 1.16 -0.01 0.00 1.31 0.00 0.00 55.95 58.41 2orl s SER 2 Cb 0.00 1.17 0.59 0.00 0.21 0.00 0.00 66.02 67.99 2orl s SER 2 CO 0.00 -0.21 1.69 0.00 0.41 0.00 0.00 173.24 175.13 2orl h ALA 3 N 5.18 1.19 0.00 1.44 0.00 -1.91 -0.58 119.26 124.58 2orl h ALA 3 Ca -0.28 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2orl h ALA 3 Cb 1.17 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2orl h ALA 3 CO 0.14 -0.33 0.00 1.17 0.00 0.00 0.00 179.25 180.23 2orl n LYS 4 N -5.10 0.91 -0.04 0.00 4.81 -1.26 -3.22 118.16 114.26 2orl n LYS 4 Ca 0.18 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.55 2orl n LYS 4 Cb 0.55 -1.31 -0.02 0.00 0.02 0.00 0.00 35.03 34.26 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 0.30 -0.10 1.64 5.02 -0.26 -4.46 118.16 119.48 2orl n LYS 5 Ca 0.14 0.12 0.21 0.00 -2.02 0.00 0.00 58.31 56.76 2orl n LYS 5 Cb 0.06 -1.02 0.64 0.00 -0.02 0.00 0.00 35.03 34.69 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 -0.55 0.25 1.00 0.72 0.00 -1.59 -2.32 103.07 100.59 2orl h GLY 6 Ca -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 2orl h GLY 6 CO -0.05 0.01 -0.15 0.00 0.00 0.00 0.00 176.54 176.35 2orl h ALA 7 N 1.66 -0.42 -1.19 3.60 0.00 -1.80 -2.82 119.26 118.29 2orl h ALA 7 Ca 0.34 -0.09 0.34 0.00 0.00 0.00 0.00 54.91 55.50 2orl h ALA 7 Cb 1.16 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 19.02 2orl h ALA 7 CO -0.05 -0.74 0.79 1.79 0.00 0.00 0.00 179.25 181.04 2orl h THR 8 N -0.42 0.36 0.00 0.00 1.35 -1.63 0.14 112.91 112.71 2orl h THR 8 Ca -0.04 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2orl h THR 8 Cb 0.33 0.13 0.00 0.00 -1.73 0.00 0.00 68.15 66.88 2orl h THR 8 CO 0.07 0.04 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 2orl n LEU 9 N -4.53 1.24 -0.30 3.87 7.99 -1.07 -2.94 117.00 121.26 2orl n LEU 9 Ca 0.30 0.25 0.15 0.00 -0.01 0.00 0.00 56.01 56.69 2orl n LEU 9 Cb 1.16 0.00 0.32 0.00 -0.11 0.00 0.00 43.42 44.79 2orl n LEU 9 CO 0.28 0.00 0.99 0.15 -1.51 0.00 0.00 177.39 177.30 2orl h PHE 10 N 0.00 0.50 0.00 -1.77 3.04 -1.49 0.30 116.94 117.53 2orl h PHE 10 Ca 0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 2orl h PHE 10 Cb 0.00 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.43 2orl h PHE 10 CO 0.00 -0.17 0.00 1.17 -2.02 0.00 0.00 178.31 177.29 2orl n LYS 11 N -5.16 0.86 0.00 1.11 4.81 0.48 -0.15 118.16 120.11 2orl n LYS 11 Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.67 2orl n LYS 11 Cb 0.72 -1.23 0.00 0.00 0.02 0.00 0.00 35.03 34.54 2orl n LYS 11 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2orl n THR 12 N -0.73 0.00 -0.07 3.15 -1.04 -0.03 -4.60 114.28 110.96 2orl n THR 12 Ca 0.09 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 62.02 2orl n THR 12 Cb 0.04 -0.07 -0.10 0.00 -1.82 0.00 0.00 70.33 68.38 2orl n THR 12 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2orl n ARG 13 N -0.59 1.34 -0.03 -2.82 5.12 0.87 -4.67 116.66 115.87 2orl n ARG 13 Ca 0.00 0.03 0.03 0.00 -1.93 0.00 0.00 57.85 55.97 2orl n ARG 13 Cb 0.06 -1.35 -0.12 0.00 -1.16 0.00 0.00 32.46 29.88 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 0.69 -1.65 0.00 5.85 -0.79 -1.97 115.31 117.44 2orl h LEU 15 Ca -0.14 0.07 0.42 0.00 0.84 0.00 0.00 57.88 59.07 2orl h LEU 15 Cb 1.14 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 42.01 2orl h LEU 15 CO 0.01 0.29 0.95 0.06 -0.34 0.00 0.00 178.44 179.41 2orl h GLN 16 N 0.70 0.09 0.00 1.25 3.07 -1.86 -3.22 115.11 115.14 2orl h GLN 16 Ca 0.52 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.25 2orl h GLN 16 Cb 0.88 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.42 2orl h GLN 16 CO -0.28 0.06 -0.72 0.00 0.09 0.00 0.00 178.83 177.98 2orl n HIS 18 N -1.96 -2.78 -3.69 0.00 8.25 -0.76 -0.95 115.22 113.33 2orl n HIS 18 Ca 0.00 -1.50 -0.14 0.00 -0.26 0.00 0.00 57.72 55.82 2orl n HIS 18 Cb 0.36 -0.51 -0.14 0.00 1.12 0.00 0.00 29.99 30.82 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 -2.11 -0.22 0.01 1.59 -4.23 -1.26 -4.55 115.64 104.87 2orl s THR 19 Ca 0.50 0.26 0.14 0.00 -1.18 0.00 0.00 61.69 61.41 2orl s THR 19 Cb -0.03 -0.33 0.02 0.00 1.34 0.00 0.00 72.50 73.49 2orl s THR 19 CO 0.32 0.11 1.49 1.62 -0.54 0.00 0.00 174.62 177.62 2orl h VAL 20 N 6.20 1.09 -3.13 2.29 3.04 -1.97 -3.00 116.25 120.77 2orl h VAL 20 Ca -0.25 -2.31 -0.47 0.00 -1.01 0.00 0.00 66.70 62.67 2orl h VAL 20 Cb 1.13 2.38 0.04 0.00 -2.01 0.00 0.00 31.29 32.83 2orl h VAL 20 CO 0.24 0.58 0.03 -1.61 -1.01 0.00 0.00 177.57 175.79 2orl s GLU 21 N -3.10 2.99 -0.06 4.17 8.01 -1.26 -4.10 118.70 125.34 2orl s GLU 21 Ca 0.02 -0.29 -0.24 0.00 0.01 0.00 0.00 54.97 54.48 2orl s GLU 21 Cb 0.09 -2.43 -0.27 0.00 -4.31 0.00 0.00 34.13 27.21 2orl s GLU 21 CO 0.75 -0.47 0.93 0.87 0.01 0.00 0.00 175.26 177.35 2orl h LYS 22 N 0.14 0.21 -1.90 1.61 1.79 -1.90 -3.34 116.57 113.19 2orl h LYS 22 Ca -0.46 -0.30 -0.08 0.00 -2.18 0.00 0.00 60.65 57.64 2orl h LYS 22 Cb 1.26 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.98 2orl h LYS 22 CO 0.59 1.08 0.08 0.41 -1.08 0.00 0.00 179.45 180.53 2orl n GLY 23 N 1.40 2.87 3.79 3.86 0.00 -1.26 -4.88 105.19 110.96 2orl n GLY 23 Ca -0.11 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 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 1.60 2.18 0.10 -0.02 0.00 -1.25 -5.06 107.32 104.87 2orl s GLY 24 Ca 0.09 -0.55 -0.31 0.00 0.00 0.00 0.00 44.72 43.96 2orl s GLY 24 CO -0.00 0.07 1.84 2.56 0.00 0.00 0.00 173.10 177.57 2orl s PRO 25 N -0.21 4.14 -0.42 2.90 0.04 -1.26 -4.87 135.00 135.32 2orl s PRO 25 Ca 0.15 2.57 -0.27 0.00 0.04 0.00 0.00 61.00 63.48 2orl s PRO 25 Cb -0.13 -3.72 -0.03 0.00 0.04 0.00 0.00 34.50 30.66 2orl s PRO 25 CO 0.03 -0.86 1.95 -1.01 0.04 0.00 0.00 177.00 177.16 2orl s HIS 26 N 3.11 1.59 0.00 0.56 3.76 -1.26 -4.84 115.29 118.21 2orl s HIS 26 Ca 0.82 0.80 0.00 0.00 -0.15 0.00 0.00 55.06 56.52 2orl s HIS 26 Cb -0.44 -4.02 0.00 0.00 1.11 0.00 0.00 32.58 29.23 2orl s HIS 26 CO 0.37 -2.84 0.00 1.63 -0.85 0.00 0.00 174.74 173.05 2orl n LYS 27 N 8.76 0.00 0.26 1.40 5.02 -1.21 -4.87 118.16 127.51 2orl n LYS 27 Ca 0.25 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.68 2orl n LYS 27 Cb 0.49 0.00 0.60 0.00 -0.02 0.00 0.00 35.03 36.10 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 0.24 -4.27 -0.18 2.07 -1.81 -3.44 116.25 108.86 2orl h VAL 28 Ca 0.00 -0.75 -0.53 0.00 0.82 0.00 0.00 66.70 66.24 2orl h VAL 28 Cb 0.00 1.60 -0.29 0.00 -1.52 0.00 0.00 31.29 31.09 2orl h VAL 28 CO 0.00 0.09 -0.83 -0.83 0.02 0.00 0.00 177.57 176.02 2orl s GLY 29 N -4.22 0.84 1.05 2.17 0.00 -0.12 -4.97 107.32 102.06 2orl s GLY 29 Ca 0.01 -0.75 -0.14 0.00 0.00 0.00 0.00 44.72 43.84 2orl s GLY 29 CO 0.58 -0.64 1.10 2.56 0.00 0.00 0.00 173.10 176.71 2orl s PRO 30 N -0.49 -0.00 0.27 2.90 0.04 -1.26 -4.01 135.00 132.44 2orl s PRO 30 Ca 0.06 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.13 2orl s PRO 30 Cb -0.07 -1.70 -0.09 0.00 0.04 0.00 0.00 34.50 32.68 2orl s PRO 30 CO -0.00 -2.98 1.25 1.21 0.04 0.00 0.00 177.00 176.52 2orl s ASN 31 N -3.61 6.95 0.00 6.66 3.84 -1.26 -4.16 114.94 123.36 2orl s ASN 31 Ca 0.67 2.47 0.14 0.00 0.21 0.00 0.00 52.86 56.35 2orl s ASN 31 Cb -0.16 -2.63 -0.11 0.00 -0.55 0.00 0.00 41.25 37.80 2orl s ASN 31 CO 0.57 -0.43 0.66 0.18 -2.79 0.00 0.00 177.10 175.29 2orl n LEU 32 N 1.59 0.92 -4.56 3.21 4.77 -1.13 -4.82 117.00 116.97 2orl n LEU 32 Ca 0.02 -0.58 -0.22 0.00 -0.03 0.00 0.00 56.01 55.20 2orl n LEU 32 Cb 0.43 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.46 2orl n LEU 32 CO 0.57 0.20 1.35 -2.28 -1.33 0.00 0.00 177.39 175.90 2orl s HIS 33 N -2.18 1.45 0.00 -1.77 2.46 -1.26 -2.06 115.29 111.94 2orl s HIS 33 Ca 0.07 1.30 0.00 0.00 0.47 0.00 0.00 55.06 56.91 2orl s HIS 33 Cb 0.11 -3.75 0.00 0.00 -0.13 0.00 0.00 32.58 28.81 2orl s HIS 33 CO 0.52 -1.75 0.00 0.41 -2.47 0.00 0.00 174.74 171.45 2orl n GLY 34 N 6.71 1.07 0.27 1.59 0.00 -1.26 -4.88 105.19 108.69 2orl n GLY 34 Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.41 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 1.23 -1.49 -0.61 3.07 -1.78 -3.41 117.51 114.52 2orl h ILE 35 Ca 0.00 -0.97 -0.63 0.00 1.55 0.00 0.00 64.86 64.80 2orl h ILE 35 Cb 0.00 0.98 -0.01 0.00 -0.27 0.00 0.00 36.82 37.52 2orl h ILE 35 CO 0.00 0.33 1.45 0.49 -1.05 0.00 0.00 178.15 179.37 2orl n PHE 36 N -4.22 1.77 0.00 0.16 3.72 -1.26 -0.53 117.46 117.10 2orl n PHE 36 Ca 0.02 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.51 2orl n PHE 36 Cb 0.30 -2.62 0.00 0.00 -0.94 0.00 0.00 39.48 36.22 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 6.19 0.19 4.02 1.37 0.00 0.23 -5.03 105.19 112.15 2orl n GLY 37 Ca 0.36 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.90 2.48 0.23 1.61 0.52 0.31 -4.85 118.95 118.35 2orl s ARG 38 Ca 0.00 -1.53 0.06 0.00 -0.52 0.00 0.00 55.73 53.74 2orl s ARG 38 Cb 0.00 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.78 2orl s ARG 38 CO 0.00 -0.64 0.26 -1.01 0.02 0.00 0.00 175.30 173.93 2orl s HIS 39 N -2.56 3.27 0.28 -0.53 3.76 -1.25 -0.94 115.29 117.31 2orl s HIS 39 Ca 0.58 -0.05 -0.30 0.00 -0.15 0.00 0.00 55.06 55.14 2orl s HIS 39 Cb -0.07 -1.49 -0.11 0.00 1.11 0.00 0.00 32.58 32.02 2orl s HIS 39 CO 0.36 0.49 1.54 -1.12 -0.85 0.00 0.00 174.74 175.16 2orl s SER 40 N -3.80 6.48 0.00 1.40 0.01 0.11 -3.64 113.70 114.27 2orl s SER 40 Ca 0.33 2.85 0.00 0.00 1.31 0.00 0.00 55.95 60.44 2orl s SER 40 Cb -0.09 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2orl s SER 40 CO 0.27 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.69 2orl n GLY 41 N 2.17 0.95 0.72 3.44 0.00 -1.26 -4.10 105.19 107.10 2orl n GLY 41 Ca 0.08 -0.50 0.06 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.54 1.38 -1.96 1.61 6.02 -1.24 -4.90 117.38 117.74 2orl n GLN 42 Ca 0.00 -3.13 -0.42 0.00 -0.01 0.00 0.00 57.00 53.44 2orl n GLN 42 Cb 0.34 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.17 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 -2.81 3.64 -1.05 -1.58 0.00 -1.26 -4.90 121.76 113.80 2orl s ALA 43 Ca 0.37 1.08 -0.25 0.00 0.00 0.00 0.00 51.96 53.16 2orl s ALA 43 Cb 0.37 -3.72 -0.16 0.00 0.00 0.00 0.00 23.12 19.61 2orl s ALA 43 CO -0.08 -1.26 2.10 -1.21 0.00 0.00 0.00 175.76 175.31 2orl s GLU 44 N 3.38 1.70 0.00 0.00 8.01 -1.26 -2.30 118.70 128.22 2orl s GLU 44 Ca 0.74 -0.47 0.00 0.00 0.01 0.00 0.00 54.97 55.25 2orl s GLU 44 Cb -0.37 -5.03 0.00 0.00 -4.31 0.00 0.00 34.13 24.43 2orl s GLU 44 CO 0.31 -4.77 0.00 0.41 0.01 0.00 0.00 175.26 171.22 2orl n GLY 45 N 6.22 1.51 2.94 -1.39 0.00 -1.26 -5.05 105.19 108.16 2orl n GLY 45 Ca 0.43 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 0.58 1.61 5.04 -0.97 -5.07 117.35 116.53 2orl s TYR 46 Ca 0.00 0.01 -0.04 0.00 -2.44 0.00 0.00 57.07 54.60 2orl s TYR 46 Cb 0.00 -0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.31 2orl s TYR 46 CO 0.00 -0.06 0.86 -1.12 -1.34 0.00 0.00 175.55 173.89 2orl s SER 47 N -0.28 5.50 0.30 4.32 0.01 -1.26 -4.40 113.70 117.89 2orl s SER 47 Ca -0.03 0.53 0.03 0.00 1.31 0.00 0.00 55.95 57.79 2orl s SER 47 Cb -0.02 -1.52 -0.04 0.00 0.21 0.00 0.00 66.02 64.65 2orl s SER 47 CO -0.00 -1.07 0.12 -0.31 0.41 0.00 0.00 173.24 172.39 2orl s TYR 48 N -2.92 1.64 0.60 2.43 1.51 -1.26 -4.97 117.35 114.38 2orl s TYR 48 Ca 0.54 -1.24 -0.11 0.00 -1.01 0.00 0.00 57.07 55.25 2orl s TYR 48 Cb -0.10 -0.95 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 2orl s TYR 48 CO 0.43 -0.37 1.00 0.95 -1.11 0.00 0.00 175.55 176.46 2orl s THR 49 N -3.59 4.72 0.37 -0.71 -4.23 -1.26 -4.93 115.64 106.02 2orl s THR 49 Ca 0.35 0.82 0.12 0.00 -1.18 0.00 0.00 61.69 61.80 2orl s THR 49 Cb 0.06 -3.86 0.34 0.00 1.34 0.00 0.00 72.50 70.38 2orl s THR 49 CO 0.15 -1.10 1.84 -0.78 -0.54 0.00 0.00 174.62 174.20 2orl h ASP 50 N -0.22 0.58 0.57 3.99 3.58 -1.98 -2.34 116.42 120.61 2orl h ASP 50 Ca -0.44 0.05 -0.28 0.00 0.42 0.00 0.00 57.03 56.78 2orl h ASP 50 Cb 1.19 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 2orl h ASP 50 CO 0.62 0.25 -1.42 0.00 -2.88 0.00 0.00 179.24 175.81 2orl h ALA 51 N 1.61 0.32 -0.24 -0.78 0.00 -1.90 -3.21 119.26 115.05 2orl h ALA 51 Ca 0.48 -1.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.14 2orl h ALA 51 Cb 0.94 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2orl h ALA 51 CO -0.23 1.19 -0.51 -0.97 0.00 0.00 0.00 179.25 178.72 2orl h ASN 52 N 0.05 0.74 0.22 0.00 -0.73 -1.79 -3.01 115.58 111.07 2orl h ASN 52 Ca -0.19 -0.38 -0.01 0.00 1.87 0.00 0.00 56.30 57.58 2orl h ASN 52 Cb 1.97 -0.21 0.00 0.00 0.27 0.00 0.00 38.32 40.35 2orl h ASN 52 CO 0.15 1.12 -0.11 0.40 -0.37 0.00 0.00 177.43 178.63 2orl h ILE 53 N 0.53 0.00 -0.22 2.57 2.04 -1.61 -2.83 117.51 117.99 2orl h ILE 53 Ca 0.02 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.83 2orl h ILE 53 Cb 1.07 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2orl h ILE 53 CO 0.10 0.00 0.96 0.29 0.00 0.00 0.00 178.15 179.50 2orl n LYS 54 N -3.11 0.02 0.10 2.37 5.02 -1.21 -0.89 118.16 120.46 2orl n LYS 54 Ca -0.04 0.88 -0.18 0.00 -2.02 0.00 0.00 58.31 56.95 2orl n LYS 54 Cb 0.12 -2.32 -0.14 0.00 -0.02 0.00 0.00 35.03 32.66 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 0.31 -5.57 1.97 1.63 -1.35 -3.48 116.57 110.08 2orl h LYS 55 Ca 0.11 -0.54 -0.28 0.00 -0.85 0.00 0.00 60.65 59.09 2orl h LYS 55 Cb 2.02 0.20 -0.12 0.00 -0.60 0.00 0.00 32.23 33.72 2orl h LYS 55 CO -0.00 1.23 -0.43 0.09 -3.45 0.00 0.00 179.45 176.89 2orl n ASN 56 N -3.54 -0.02 -4.74 4.20 5.03 -0.06 -4.87 115.26 111.25 2orl n ASN 56 Ca -0.13 -0.57 -0.41 0.00 0.87 0.00 0.00 54.58 54.34 2orl n ASN 56 Cb 1.05 -0.72 -0.03 0.00 -1.02 0.00 0.00 39.78 39.06 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 -3.04 3.04 -0.70 2.41 0.11 -1.26 -4.24 120.40 116.72 2orl s VAL 57 Ca 0.14 0.87 -0.25 0.00 -2.93 0.00 0.00 61.98 59.81 2orl s VAL 57 Cb -0.08 -3.56 0.04 0.00 -1.53 0.00 0.00 36.38 31.26 2orl s VAL 57 CO 0.46 0.14 1.15 -0.22 -3.33 0.00 0.00 175.10 173.30 2orl s LEU 58 N -0.31 3.63 -0.12 2.54 0.20 -1.26 -0.71 118.68 122.65 2orl s LEU 58 Ca 0.57 -0.62 -0.31 0.00 0.69 0.00 0.00 54.13 54.46 2orl s LEU 58 Cb -0.38 -2.54 -0.08 0.00 -0.43 0.00 0.00 46.19 42.76 2orl s LEU 58 CO 0.40 -1.67 2.07 0.79 -0.29 0.00 0.00 176.35 177.66 2orl n TRP 59 N 8.70 2.19 -4.32 5.38 7.02 -0.11 -4.87 117.44 131.43 2orl n TRP 59 Ca 0.01 -0.15 -0.14 0.00 -1.02 0.00 0.00 57.50 56.20 2orl n TRP 59 Cb 0.48 -2.72 -0.03 0.00 -2.42 0.00 0.00 31.31 26.61 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 9.10 2.48 0.15 -0.99 2.03 -1.26 -0.60 116.55 127.45 2orl n ASP 60 Ca 0.26 -1.96 -0.14 0.00 0.52 0.00 0.00 54.79 53.47 2orl n ASP 60 Cb 0.38 0.18 -0.08 0.00 -0.72 0.00 0.00 41.12 40.88 2orl n ASP 60 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2orl h GLU 61 N 0.00 -0.34 0.02 -0.67 4.39 -2.01 -2.77 114.58 113.19 2orl h GLU 61 Ca -0.18 0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 2orl h GLU 61 Cb 0.55 0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2orl h GLU 61 CO 0.30 -0.09 -0.46 -0.97 -1.16 0.00 0.00 179.01 176.62 2orl h ASN 62 N -0.56 0.37 -0.86 1.42 -1.24 -1.99 -3.35 115.58 109.38 2orl h ASN 62 Ca -0.04 -0.82 0.20 0.00 0.71 0.00 0.00 56.30 56.35 2orl h ASN 62 Cb 0.41 -0.11 -0.12 0.00 0.73 0.00 0.00 38.32 39.23 2orl h ASN 62 CO 0.06 1.14 0.36 -1.13 -1.29 0.00 0.00 177.43 176.57 2orl h ASN 63 N -0.36 0.30 -0.99 1.15 -0.73 -1.91 -0.72 115.58 112.32 2orl h ASN 63 Ca -0.06 0.14 0.14 0.00 1.87 0.00 0.00 56.30 58.39 2orl h ASN 63 Cb 1.23 0.13 -0.09 0.00 0.27 0.00 0.00 38.32 39.86 2orl h ASN 63 CO 0.09 0.03 0.62 -0.03 -0.37 0.00 0.00 177.43 177.77 2orl h MET 64 N 0.41 0.86 -0.59 6.67 4.05 -1.62 -1.66 114.93 123.06 2orl h MET 64 Ca 0.52 -0.05 -0.08 0.00 -0.28 0.00 0.00 59.70 59.81 2orl h MET 64 Cb 0.93 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.51 2orl h MET 64 CO -0.50 0.57 0.06 0.77 0.23 0.00 0.00 176.91 178.03 2orl h SER 65 N 0.89 0.94 -0.34 1.39 0.02 -1.30 -2.23 113.55 112.91 2orl h SER 65 Ca 0.51 -0.23 0.07 0.00 -0.84 0.00 0.00 61.79 61.30 2orl h SER 65 Cb 0.64 -0.25 -0.08 0.00 0.14 0.00 0.00 62.40 62.84 2orl h SER 65 CO -0.28 0.97 -0.30 -0.33 -1.14 0.00 0.00 176.83 175.75 2orl h GLU 66 N 0.91 -0.25 -0.32 3.45 5.08 -1.16 -2.07 114.58 120.23 2orl h GLU 66 Ca 0.18 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2orl h GLU 66 Cb 0.46 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2orl h GLU 66 CO 0.02 -0.17 -0.06 -0.92 -1.00 0.00 0.00 179.01 176.88 2orl h TYR 67 N -0.26 0.67 -0.97 4.33 3.20 -1.49 -3.24 116.97 119.22 2orl h TYR 67 Ca 0.16 -0.14 0.06 0.00 3.14 0.00 0.00 58.73 61.95 2orl h TYR 67 Cb 0.52 -0.17 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 2orl h TYR 67 CO -0.48 0.77 0.63 -0.07 -1.64 0.00 0.00 178.16 177.37 2orl h LEU 68 N 0.38 1.01 -1.20 2.82 3.38 -1.03 -1.43 115.31 119.25 2orl h LEU 68 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.06 2orl h LEU 68 Cb 0.54 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2orl h LEU 68 CO 0.03 0.66 0.52 0.74 0.09 0.00 0.00 178.44 180.47 2orl h THR 69 N 1.15 1.21 -0.99 0.22 2.02 -1.41 -2.86 112.91 112.25 2orl h THR 69 Ca 0.41 -0.39 -0.06 0.00 0.77 0.00 0.00 66.41 67.14 2orl h THR 69 Cb 0.14 0.04 -0.19 0.00 -1.74 0.00 0.00 68.15 66.40 2orl h THR 69 CO -0.15 0.20 -0.45 0.21 0.37 0.00 0.00 175.52 175.70 2orl s ASN 70 N -6.32 -1.52 0.42 4.18 3.84 -0.97 -4.53 114.94 110.04 2orl s ASN 70 Ca -0.11 -0.80 0.10 0.00 0.21 0.00 0.00 52.86 52.25 2orl s ASN 70 Cb 0.18 1.95 0.89 0.00 -0.55 0.00 0.00 41.25 43.72 2orl s ASN 70 CO 0.79 -0.16 2.01 1.55 -2.79 0.00 0.00 177.10 178.50 2orl h PRO 71 N 6.92 0.32 -0.25 0.43 0.13 -1.50 -2.30 132.00 135.74 2orl h PRO 71 Ca 0.05 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 65.00 2orl h PRO 71 Cb 1.18 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2orl h PRO 71 CO 0.10 0.31 -0.43 0.87 -0.23 0.00 0.00 178.00 178.62 2orl h LYS 72 N 0.32 0.61 0.05 0.86 6.56 -1.87 -1.67 116.57 121.43 2orl h LYS 72 Ca 0.08 -0.32 -0.27 0.00 -1.06 0.00 0.00 60.65 59.08 2orl h LYS 72 Cb 0.14 0.01 0.02 0.00 -0.57 0.00 0.00 32.23 31.83 2orl h LYS 72 CO -0.00 0.92 -1.11 -0.22 -2.06 0.00 0.00 179.45 176.98 2orl h LYS 73 N 0.50 0.56 -0.21 3.15 1.63 -1.88 -3.19 116.57 117.13 2orl h LYS 73 Ca 0.04 -0.67 -0.14 0.00 -0.85 0.00 0.00 60.65 59.02 2orl h LYS 73 Cb 0.95 0.21 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 2orl h LYS 73 CO 0.09 1.28 -0.41 -0.92 -3.45 0.00 0.00 179.45 176.03 2orl h TYR 74 N 0.28 0.82 -3.08 1.91 3.20 -1.45 -3.40 116.97 115.25 2orl h TYR 74 Ca -0.14 -0.30 -0.61 0.00 3.14 0.00 0.00 58.73 60.83 2orl h TYR 74 Cb 1.77 -0.15 -0.40 0.00 1.54 0.00 0.00 36.73 39.49 2orl h TYR 74 CO 0.09 1.06 -0.74 0.42 -1.64 0.00 0.00 178.16 177.35 2orl s ILE 75 N -4.06 1.29 -0.45 1.81 1.01 -0.63 -5.10 121.20 115.07 2orl s ILE 75 Ca -0.12 -2.19 -0.28 0.00 0.00 0.00 0.00 60.65 58.06 2orl s ILE 75 Cb 0.08 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.60 2orl s ILE 75 CO 0.84 -0.81 1.84 -2.16 0.00 0.00 0.00 174.94 174.65 2orl s PRO 76 N 0.77 3.00 0.00 2.79 0.04 -1.20 -2.63 135.00 137.76 2orl s PRO 76 Ca 0.15 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.28 2orl s PRO 76 Cb -0.22 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.03 2orl s PRO 76 CO -0.08 -2.27 0.00 0.41 0.04 0.00 0.00 177.00 175.10 2orl n GLY 77 N 5.55 0.92 3.77 0.56 0.00 -1.26 -4.78 105.19 109.94 2orl n GLY 77 Ca 0.22 0.00 -0.36 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 2.98 -0.95 2.61 -1.32 -1.08 -4.90 115.64 110.97 2orl s THR 78 Ca 0.00 0.65 0.28 0.00 -1.21 0.00 0.00 61.69 61.41 2orl s THR 78 Cb 0.00 -3.28 0.24 0.00 -1.51 0.00 0.00 72.50 67.95 2orl s THR 78 CO 0.00 -0.10 1.88 0.29 -2.21 0.00 0.00 174.62 174.49 2orl n LYS 79 N -1.14 0.04 -1.94 7.08 5.02 -1.26 -4.79 118.16 121.17 2orl n LYS 79 Ca 0.11 0.05 -0.40 0.00 -2.02 0.00 0.00 58.31 56.04 2orl n LYS 79 Cb 0.50 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2orl n LYS 79 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2orl s MET 80 N -3.02 2.90 -0.74 1.97 1.75 -1.26 -4.91 119.30 115.98 2orl s MET 80 Ca 0.13 1.14 0.04 0.00 -1.25 0.00 0.00 55.69 55.74 2orl s MET 80 Cb 0.17 -4.33 0.27 0.00 2.84 0.00 0.00 34.83 33.79 2orl s MET 80 CO 0.53 -2.39 0.96 0.00 -0.65 0.00 0.00 175.02 173.47 2orl n ALA 81 N 12.02 4.44 0.13 4.11 0.00 -1.26 -4.75 120.51 135.19 2orl n ALA 81 Ca 0.24 -4.77 0.05 0.00 0.00 0.00 0.00 53.44 48.96 2orl n ALA 81 Cb 0.50 -1.24 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 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 0.81 0.00 0.00 0.00 7.35 -1.26 -5.05 117.46 119.30 2orl n PHE 82 Ca 0.30 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.99 2orl n PHE 82 Cb 0.39 -0.19 0.00 0.00 0.35 0.00 0.00 39.48 40.03 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 1.71 3.11 0.23 7.13 0.00 -1.26 -4.88 105.19 111.22 2orl n GLY 83 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.20 3.56 -0.02 0.00 -1.26 -4.83 105.19 102.43 2orl n GLY 84 Ca 0.00 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 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 3.28 0.61 0.99 1.43 -1.08 -4.83 118.68 119.08 2orl s LEU 85 Ca 0.00 -0.80 0.37 0.00 -1.03 0.00 0.00 54.13 52.67 2orl s LEU 85 Cb 0.00 -2.56 2.00 0.00 0.03 0.00 0.00 46.19 45.66 2orl s LEU 85 CO 0.00 -2.28 2.25 0.11 0.23 0.00 0.00 176.35 176.67 2orl h LYS 86 N 11.12 0.00 -5.98 1.70 1.79 -1.85 -3.40 116.57 119.95 2orl h LYS 86 Ca 0.07 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.09 2orl h LYS 86 Cb 1.02 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.61 2orl h LYS 86 CO 1.28 0.02 1.12 0.15 -1.08 0.00 0.00 179.45 180.94 2orl s LYS 87 N -4.23 2.89 0.23 3.15 1.02 -1.26 -4.90 119.74 116.64 2orl s LYS 87 Ca -0.04 -0.21 -0.08 0.00 0.02 0.00 0.00 55.97 55.67 2orl s LYS 87 Cb 0.13 -4.79 0.39 0.00 -0.52 0.00 0.00 37.83 33.04 2orl s LYS 87 CO 0.49 -2.76 1.66 1.49 -0.92 0.00 0.00 175.35 175.32 2orl h GLU 88 N 11.79 0.16 -0.96 1.68 4.81 -1.99 -1.57 114.58 128.50 2orl h GLU 88 Ca -0.04 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2orl h GLU 88 Cb 1.06 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.34 2orl h GLU 88 CO 1.27 0.11 0.62 0.87 -0.73 0.00 0.00 179.01 181.14 2orl h LYS 89 N 0.16 1.12 -0.55 1.92 1.79 -1.90 -2.43 116.57 116.67 2orl h LYS 89 Ca 0.38 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.77 2orl h LYS 89 Cb 0.64 -0.25 -0.03 0.00 -1.58 0.00 0.00 32.23 31.01 2orl h LYS 89 CO -0.56 0.74 0.31 0.22 -1.08 0.00 0.00 179.45 179.09 2orl h ASP 90 N 1.15 0.68 -0.22 0.86 3.58 -1.70 -2.68 116.42 118.09 2orl h ASP 90 Ca 0.40 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.69 2orl h ASP 90 Cb 0.11 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 2orl h ASP 90 CO -0.16 0.56 -0.13 0.03 -2.88 0.00 0.00 179.24 176.67 2orl h ARG 91 N 0.74 0.61 -0.54 0.28 3.08 -1.15 -3.11 114.38 114.29 2orl h ARG 91 Ca 0.20 -0.19 0.11 0.00 0.07 0.00 0.00 59.98 60.16 2orl h ARG 91 Cb 0.02 -0.06 -0.11 0.00 0.08 0.00 0.00 29.97 29.91 2orl h ARG 91 CO -0.03 0.73 -0.21 -0.91 -1.07 0.00 0.00 179.97 178.47 2orl h ASN 92 N 0.56 -0.75 -0.48 7.04 2.35 -1.10 -1.11 115.58 122.08 2orl h ASN 92 Ca 0.10 0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.96 2orl h ASN 92 Cb 0.55 0.43 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 2orl h ASN 92 CO 0.03 -0.24 0.02 -0.78 -1.65 0.00 0.00 177.43 174.81 2orl h ASP 93 N -0.09 0.87 -0.95 5.81 1.82 -1.58 -2.99 116.42 119.31 2orl h ASP 93 Ca 0.25 -0.22 0.11 0.00 -0.39 0.00 0.00 57.03 56.79 2orl h ASP 93 Cb 0.48 -0.23 -0.07 0.00 0.68 0.00 0.00 39.33 40.18 2orl h ASP 93 CO -0.60 0.92 0.61 -0.07 -1.61 0.00 0.00 179.24 178.49 2orl h LEU 94 N 0.84 0.85 -0.26 2.28 3.38 -1.16 -2.43 115.31 118.80 2orl h LEU 94 Ca 0.16 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 2orl h LEU 94 Cb 0.48 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2orl h LEU 94 CO 0.02 0.47 -0.03 0.40 0.09 0.00 0.00 178.44 179.38 2orl h ILE 95 N 0.92 1.27 -0.70 1.22 2.04 -1.23 -2.62 117.51 118.41 2orl h ILE 95 Ca 0.46 -1.00 0.11 0.00 1.00 0.00 0.00 64.86 65.43 2orl h ILE 95 Cb 0.49 1.41 -0.08 0.00 -0.74 0.00 0.00 36.82 37.90 2orl h ILE 95 CO -0.22 0.32 0.30 0.74 0.00 0.00 0.00 178.15 179.28 2orl h THR 96 N 0.24 0.76 0.19 -0.27 2.02 -1.40 0.42 112.91 114.87 2orl h THR 96 Ca 0.07 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2orl h THR 96 Cb 0.48 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2orl h THR 96 CO 0.02 0.09 -0.09 0.22 0.37 0.00 0.00 175.52 176.13 2orl h TYR 97 N 0.49 -0.24 -0.32 3.16 3.20 -1.46 -1.52 116.97 120.28 2orl h TYR 97 Ca 0.36 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.24 2orl h TYR 97 Cb 0.46 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 2orl h TYR 97 CO -0.14 0.13 0.18 1.25 -1.64 0.00 0.00 178.16 177.93 2orl h LEU 98 N -0.65 0.28 -1.16 2.82 5.85 -1.18 -2.30 115.31 118.97 2orl h LEU 98 Ca -0.03 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.74 2orl h LEU 98 Cb 0.47 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 2orl h LEU 98 CO 0.04 0.21 0.58 0.50 -0.34 0.00 0.00 178.44 179.43 2orl h LYS 99 N 0.37 1.04 -0.01 1.25 3.64 -0.23 -1.66 116.57 120.96 2orl h LYS 99 Ca 0.13 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 2orl h LYS 99 Cb 0.02 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 2orl h LYS 99 CO -0.07 0.69 -0.49 -0.22 -2.27 0.00 0.00 179.45 177.09 2orl h LYS 100 N 1.07 0.03 0.10 1.90 1.63 -0.75 -1.88 116.57 118.68 2orl h LYS 100 Ca 0.36 -0.02 -0.26 0.00 -0.85 0.00 0.00 60.65 59.87 2orl h LYS 100 Cb 0.07 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.70 2orl h LYS 100 CO -0.11 0.51 -1.18 0.00 -3.45 0.00 0.00 179.45 175.22 2orl h ALA 101 N 1.48 0.15 0.13 5.00 0.00 -1.04 -3.34 119.26 121.65 2orl h ALA 101 Ca -0.00 -0.84 -0.27 0.00 0.00 0.00 0.00 54.91 53.80 2orl h ALA 101 Cb 0.87 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.70 2orl h ALA 101 CO 0.06 0.92 -1.13 1.15 0.00 0.00 0.00 179.25 180.26 2orl h THR 102 N 0.11 1.34 0.00 0.00 2.02 -1.27 -3.48 112.91 111.63 2orl h THR 102 Ca -0.13 -2.46 0.00 0.00 0.77 0.00 0.00 66.41 64.59 2orl h THR 102 Cb 1.88 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 71.12 2orl h THR 102 CO 0.20 0.73 0.00 -1.84 0.37 0.00 0.00 175.52 174.98