#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 2.82 -1.66 -2.82 0.00 -1.26 -5.03 120.64 112.68 2orl n GLU -4 Ca 0.00 -3.62 -0.38 0.00 0.00 0.00 0.00 57.16 53.16 2orl n GLU -4 Cb 0.00 -2.27 0.05 0.00 0.00 0.00 0.00 31.44 29.22 2orl n GLU -4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 2orl n PHE -3 N -0.54 1.37 -3.65 4.31 7.35 -1.26 -4.85 117.46 120.18 2orl n PHE -3 Ca 0.53 0.44 -0.04 0.00 -0.76 0.00 0.00 57.45 57.61 2orl n PHE -3 Cb 0.28 -2.21 -0.06 0.00 0.35 0.00 0.00 39.48 37.84 2orl n PHE -3 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 2orl s LYS -2 N -2.88 0.53 0.33 -4.13 2.20 -1.26 -5.13 119.74 109.40 2orl s LYS -2 Ca 0.76 1.28 -0.26 0.00 -0.36 0.00 0.00 55.97 57.39 2orl s LYS -2 Cb -0.42 0.57 -0.14 0.00 -1.51 0.00 0.00 37.83 36.33 2orl s LYS -2 CO 0.46 -0.20 0.75 0.00 -0.36 0.00 0.00 175.35 176.01 2orl n ALA -1 N 5.17 -1.14 -2.31 3.13 0.00 -1.26 -4.22 120.51 119.87 2orl n ALA -1 Ca -0.13 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2orl n ALA -1 Cb 0.51 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 1.56 2.92 3.52 0.00 0.00 -1.26 -4.82 105.19 107.11 2orl n GLY 1 Ca 0.12 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.39 -0.81 0.32 1.61 0.01 -1.26 -5.03 113.70 108.15 2orl s SER 2 Ca 0.00 1.32 0.08 0.00 1.31 0.00 0.00 55.95 58.66 2orl s SER 2 Cb 0.00 1.20 0.90 0.00 0.21 0.00 0.00 66.02 68.32 2orl s SER 2 CO 0.00 -0.23 1.63 0.00 0.41 0.00 0.00 173.24 175.06 2orl h ALA 3 N 7.00 1.55 -0.01 1.44 0.00 -1.90 0.18 119.26 127.52 2orl h ALA 3 Ca -0.32 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2orl h ALA 3 Cb 1.21 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.32 2orl h ALA 3 CO 0.20 -0.57 0.00 1.17 0.00 0.00 0.00 179.25 180.05 2orl n LYS 4 N -5.22 1.07 -0.04 0.00 4.81 -1.26 -3.17 118.16 114.35 2orl n LYS 4 Ca 0.26 -0.10 -0.06 0.00 -0.87 0.00 0.00 58.31 57.54 2orl n LYS 4 Cb 0.85 -1.32 -0.02 0.00 0.02 0.00 0.00 35.03 34.56 2orl n LYS 4 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2orl n LYS 5 N -0.71 0.32 -0.05 1.64 4.81 0.62 -4.46 118.16 120.32 2orl n LYS 5 Ca 0.15 0.13 0.18 0.00 -0.87 0.00 0.00 58.31 57.90 2orl n LYS 5 Cb 0.09 -1.06 0.62 0.00 0.02 0.00 0.00 35.03 34.70 2orl n LYS 5 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2orl h GLY 6 N -0.60 0.26 0.87 3.14 0.00 -1.63 -2.45 103.07 102.67 2orl h GLY 6 Ca -0.03 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.25 2orl h GLY 6 CO -0.02 0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.56 2orl h ALA 7 N 1.71 0.08 -0.85 3.60 0.00 -1.79 -2.14 119.26 119.87 2orl h ALA 7 Ca 0.28 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.28 2orl h ALA 7 Cb 0.89 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 2orl h ALA 7 CO -0.04 -0.46 0.56 1.79 0.00 0.00 0.00 179.25 181.09 2orl h THR 8 N 0.04 1.05 0.63 0.00 1.35 -1.66 0.38 112.91 114.71 2orl h THR 8 Ca 0.04 -0.32 -0.03 0.00 -0.55 0.00 0.00 66.41 65.55 2orl h THR 8 Cb 0.05 0.02 0.01 0.00 -1.73 0.00 0.00 68.15 66.50 2orl h THR 8 CO -0.07 0.17 -0.30 -0.07 -0.25 0.00 0.00 175.52 175.00 2orl h LEU 9 N 0.94 -0.72 -1.28 3.87 3.38 -1.53 -3.03 115.31 116.94 2orl h LEU 9 Ca 0.37 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.40 2orl h LEU 9 Cb 0.22 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 2orl h LEU 9 CO -0.13 -0.37 0.53 0.15 0.09 0.00 0.00 178.44 178.71 2orl h PHE 10 N -1.10 0.87 0.00 1.13 3.04 -1.29 -0.96 116.94 118.63 2orl h PHE 10 Ca -0.09 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.89 2orl h PHE 10 Cb 0.70 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.92 2orl h PHE 10 CO 0.00 0.44 0.00 1.17 -2.02 0.00 0.00 178.31 177.90 2orl n LYS 11 N -4.50 0.80 0.00 1.11 4.81 0.11 -0.18 118.16 120.32 2orl n LYS 11 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2orl n LYS 11 Cb 0.26 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.86 2orl n LYS 11 CO 0.00 0.00 0.00 -2.37 1.17 0.00 0.00 177.40 176.20 2orl n THR 12 N -0.95 0.01 0.00 3.15 5.66 -0.88 -4.56 114.28 116.71 2orl n THR 12 Ca 0.17 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 2orl n THR 12 Cb 0.08 1.54 0.00 0.00 -1.55 0.00 0.00 70.33 70.40 2orl n THR 12 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2orl n ARG 13 N -0.00 0.93 -0.03 1.09 5.12 -0.42 -4.90 116.66 118.45 2orl n ARG 13 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 2orl n ARG 13 Cb 0.36 -0.82 -0.04 0.00 -1.16 0.00 0.00 32.46 30.80 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 0.63 -1.36 0.00 5.85 -0.81 -2.15 115.31 117.47 2orl h LEU 15 Ca -0.14 0.15 0.44 0.00 0.84 0.00 0.00 57.88 59.17 2orl h LEU 15 Cb 1.30 0.05 -0.14 0.00 0.37 0.00 0.00 40.66 42.25 2orl h LEU 15 CO 0.00 0.05 0.83 0.06 -0.34 0.00 0.00 178.44 179.05 2orl h GLN 16 N 0.52 0.06 0.00 1.25 3.07 -1.85 -3.20 115.11 114.95 2orl h GLN 16 Ca 0.66 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.40 2orl h GLN 16 Cb 1.35 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.89 2orl h GLN 16 CO -0.50 0.04 -0.78 0.00 0.09 0.00 0.00 178.83 177.68 2orl n HIS 18 N -1.99 -2.82 -3.73 0.00 8.25 -0.85 -0.66 115.22 113.42 2orl n HIS 18 Ca 0.00 -1.47 -0.21 0.00 -0.26 0.00 0.00 57.72 55.78 2orl n HIS 18 Cb 0.39 -0.52 -0.18 0.00 1.12 0.00 0.00 29.99 30.81 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 -2.14 0.12 0.15 1.59 -4.23 -1.26 -4.60 115.64 105.27 2orl s THR 19 Ca 0.50 0.27 0.11 0.00 -1.18 0.00 0.00 61.69 61.39 2orl s THR 19 Cb -0.03 -0.33 -0.07 0.00 1.34 0.00 0.00 72.50 73.41 2orl s THR 19 CO 0.33 0.21 1.47 1.62 -0.54 0.00 0.00 174.62 177.71 2orl h VAL 20 N 6.38 1.42 -5.41 2.29 3.04 -1.96 -2.85 116.25 119.16 2orl h VAL 20 Ca -0.18 -2.58 -0.56 0.00 -1.01 0.00 0.00 66.70 62.37 2orl h VAL 20 Cb 1.12 2.43 -0.07 0.00 -2.01 0.00 0.00 31.29 32.76 2orl h VAL 20 CO 0.22 0.71 -0.32 -1.84 -1.01 0.00 0.00 177.57 175.33 2orl n GLU 21 N -3.52 0.80 -0.98 4.17 -0.00 -1.26 -3.98 120.64 115.87 2orl n GLU 21 Ca -0.00 -3.24 -0.04 0.00 -0.00 0.00 0.00 57.16 53.88 2orl n GLU 21 Cb 0.75 0.56 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 -1.47 3.74 -0.05 3.44 5.02 -1.26 -4.41 118.16 123.16 2orl n LYS 22 Ca -0.09 -3.10 0.01 0.00 -2.02 0.00 0.00 58.31 53.12 2orl n LYS 22 Cb 0.58 -2.19 -0.16 0.00 -0.02 0.00 0.00 35.03 33.23 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 -0.14 -1.01 3.70 0.72 0.00 -1.26 -4.94 105.19 102.26 2orl n GLY 23 Ca 0.39 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -4.98 2.42 0.69 -0.02 0.00 -1.26 -5.06 107.32 99.11 2orl s GLY 24 Ca -0.09 0.07 -0.16 0.00 0.00 0.00 0.00 44.72 44.54 2orl s GLY 24 CO 0.87 1.36 1.24 2.56 0.00 0.00 0.00 173.10 179.13 2orl s PRO 25 N 1.33 2.33 0.16 2.90 0.04 -1.26 -4.90 135.00 135.59 2orl s PRO 25 Ca 0.37 1.90 -0.33 0.00 0.04 0.00 0.00 61.00 62.98 2orl s PRO 25 Cb -0.17 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 2orl s PRO 25 CO 0.16 -1.73 1.63 0.72 0.04 0.00 0.00 177.00 177.82 2orl n HIS 26 N -2.34 2.38 0.00 0.56 8.25 -1.26 -4.94 115.22 117.88 2orl n HIS 26 Ca 0.15 0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 2orl n HIS 26 Cb 0.49 -2.58 0.00 0.00 1.12 0.00 0.00 29.99 29.02 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 3.76 1.77 0.31 -0.41 4.81 -1.25 -4.95 118.16 122.20 2orl n LYS 27 Ca 0.17 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.80 2orl n LYS 27 Cb 0.30 0.00 1.03 0.00 0.02 0.00 0.00 35.03 36.38 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 0.19 -3.79 3.15 2.07 -1.80 -3.43 116.25 112.64 2orl h VAL 28 Ca 0.00 -0.14 -0.38 0.00 0.82 0.00 0.00 66.70 66.99 2orl h VAL 28 Cb 0.00 1.11 -0.20 0.00 -1.52 0.00 0.00 31.29 30.69 2orl h VAL 28 CO 0.00 0.02 -0.76 -0.83 0.02 0.00 0.00 177.57 176.02 2orl s GLY 29 N -4.15 0.90 0.94 2.17 0.00 0.16 -4.96 107.32 102.39 2orl s GLY 29 Ca -0.04 -1.12 -0.12 0.00 0.00 0.00 0.00 44.72 43.45 2orl s GLY 29 CO 0.48 -1.17 1.09 2.56 0.00 0.00 0.00 173.10 176.06 2orl s PRO 30 N -2.25 0.88 0.02 2.90 0.04 -1.26 -4.37 135.00 130.95 2orl s PRO 30 Ca 0.03 0.78 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 2orl s PRO 30 Cb -0.07 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 2orl s PRO 30 CO 0.02 -2.49 1.17 1.21 0.04 0.00 0.00 177.00 176.94 2orl s ASN 31 N -3.32 7.11 0.06 6.66 3.84 -1.26 -4.13 114.94 123.90 2orl s ASN 31 Ca 0.64 1.90 0.23 0.00 0.21 0.00 0.00 52.86 55.84 2orl s ASN 31 Cb -0.19 -2.57 -0.05 0.00 -0.55 0.00 0.00 41.25 37.90 2orl s ASN 31 CO 0.58 -0.47 0.92 0.18 -2.79 0.00 0.00 177.10 175.51 2orl n LEU 32 N 4.31 0.55 -4.55 3.21 4.77 -1.07 -4.76 117.00 119.46 2orl n LEU 32 Ca 0.09 0.03 -0.26 0.00 -0.03 0.00 0.00 56.01 55.83 2orl n LEU 32 Cb 0.47 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.44 2orl n LEU 32 CO 0.55 0.00 1.59 -2.28 -1.33 0.00 0.00 177.39 175.92 2orl s HIS 33 N -3.28 1.24 0.00 -1.77 2.46 -1.25 -2.08 115.29 110.60 2orl s HIS 33 Ca 0.01 1.55 0.00 0.00 0.47 0.00 0.00 55.06 57.09 2orl s HIS 33 Cb 0.13 -3.63 0.00 0.00 -0.13 0.00 0.00 32.58 28.96 2orl s HIS 33 CO 0.82 -2.04 0.00 0.41 -2.47 0.00 0.00 174.74 171.46 2orl n GLY 34 N 6.38 1.41 0.15 1.59 0.00 -1.26 -4.91 105.19 108.55 2orl n GLY 34 Ca 0.39 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.44 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 0.96 -1.81 -0.61 3.07 -1.76 -3.45 117.51 113.92 2orl h ILE 35 Ca 0.00 -2.05 -0.60 0.00 1.55 0.00 0.00 64.86 63.76 2orl h ILE 35 Cb 0.00 2.26 -0.00 0.00 -0.27 0.00 0.00 36.82 38.80 2orl h ILE 35 CO 0.00 0.49 1.49 0.49 -1.05 0.00 0.00 178.15 179.57 2orl n PHE 36 N -3.37 1.89 0.00 0.16 3.72 -1.26 -1.14 117.46 117.45 2orl n PHE 36 Ca 0.01 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 2orl n PHE 36 Cb 0.66 -2.69 0.00 0.00 -0.94 0.00 0.00 39.48 36.51 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 5.93 0.83 3.62 1.37 0.00 -0.67 -5.06 105.19 111.22 2orl n GLY 37 Ca 0.32 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.85 2.03 0.53 1.61 0.52 -0.30 -4.90 118.95 117.59 2orl s ARG 38 Ca 0.00 -1.81 -0.08 0.00 -0.52 0.00 0.00 55.73 53.32 2orl s ARG 38 Cb 0.00 -1.87 -0.04 0.00 0.52 0.00 0.00 34.95 33.56 2orl s ARG 38 CO 0.00 0.11 0.87 -1.01 0.02 0.00 0.00 175.30 175.29 2orl s HIS 39 N -2.55 3.58 0.35 -0.53 3.76 -1.25 -1.45 115.29 117.20 2orl s HIS 39 Ca 0.35 1.00 -0.29 0.00 -0.15 0.00 0.00 55.06 55.97 2orl s HIS 39 Cb 0.01 -2.46 -0.11 0.00 1.11 0.00 0.00 32.58 31.13 2orl s HIS 39 CO 0.19 -0.42 1.48 -1.12 -0.85 0.00 0.00 174.74 174.02 2orl s SER 40 N -4.08 6.42 0.00 1.40 0.01 0.23 -3.78 113.70 113.90 2orl s SER 40 Ca 0.50 2.97 0.00 0.00 1.31 0.00 0.00 55.95 60.73 2orl s SER 40 Cb -0.11 -2.66 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2orl s SER 40 CO 0.47 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 173.91 2orl n GLY 41 N 0.91 0.96 0.66 3.44 0.00 -1.26 -4.37 105.19 105.53 2orl n GLY 41 Ca 0.02 -0.50 0.09 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.41 2.52 -1.68 1.61 6.02 -1.25 -4.95 117.38 119.24 2orl n GLN 42 Ca 0.00 -2.72 -0.43 0.00 -0.01 0.00 0.00 57.00 53.84 2orl n GLN 42 Cb 0.36 -1.72 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 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 -0.69 1.78 -1.91 -1.58 0.00 -1.26 -4.87 120.51 111.97 2orl n ALA 43 Ca 0.19 0.28 -0.23 0.00 0.00 0.00 0.00 53.44 53.68 2orl n ALA 43 Cb 0.80 -2.60 -0.07 0.00 0.00 0.00 0.00 19.45 17.57 2orl n ALA 43 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2orl s GLU 44 N 3.39 2.12 0.00 0.00 8.01 -1.26 -2.73 118.70 128.23 2orl s GLU 44 Ca 0.86 -0.65 0.00 0.00 0.01 0.00 0.00 54.97 55.19 2orl s GLU 44 Cb -0.50 -5.10 0.00 0.00 -4.31 0.00 0.00 34.13 24.22 2orl s GLU 44 CO 0.41 -4.24 0.00 0.41 0.01 0.00 0.00 175.26 171.84 2orl n GLY 45 N 6.22 1.67 3.08 -1.39 0.00 -1.26 -5.05 105.19 108.46 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 -0.09 0.40 1.61 5.04 -1.11 -4.98 117.35 116.23 2orl s TYR 46 Ca 0.00 0.19 -0.04 0.00 -2.44 0.00 0.00 57.07 54.78 2orl s TYR 46 Cb 0.00 0.01 -0.04 0.00 0.35 0.00 0.00 41.96 42.28 2orl s TYR 46 CO 0.00 -0.18 0.68 -1.12 -1.34 0.00 0.00 175.55 173.58 2orl s SER 47 N -0.59 6.34 0.37 4.32 0.01 -1.26 -4.57 113.70 118.32 2orl s SER 47 Ca -0.07 0.79 0.04 0.00 1.31 0.00 0.00 55.95 58.02 2orl s SER 47 Cb -0.04 -2.18 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 2orl s SER 47 CO 0.01 -0.41 0.06 -0.31 0.41 0.00 0.00 173.24 173.00 2orl s TYR 48 N -2.46 1.98 0.67 2.43 2.02 -1.26 -4.95 117.35 115.78 2orl s TYR 48 Ca 0.45 -1.00 -0.11 0.00 -0.37 0.00 0.00 57.07 56.04 2orl s TYR 48 Cb -0.10 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 2orl s TYR 48 CO 0.38 0.01 1.07 0.95 -1.57 0.00 0.00 175.55 176.39 2orl s THR 49 N -3.17 4.00 0.38 -0.71 -4.23 -1.26 -4.94 115.64 105.72 2orl s THR 49 Ca 0.31 0.65 0.11 0.00 -1.18 0.00 0.00 61.69 61.57 2orl s THR 49 Cb 0.07 -3.63 0.33 0.00 1.34 0.00 0.00 72.50 70.61 2orl s THR 49 CO 0.14 -0.85 1.91 -0.78 -0.54 0.00 0.00 174.62 174.51 2orl h ASP 50 N -0.53 0.56 0.59 3.99 1.82 -1.97 -2.63 116.42 118.25 2orl h ASP 50 Ca -0.45 0.02 -0.28 0.00 -0.39 0.00 0.00 57.03 55.94 2orl h ASP 50 Cb 1.23 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 41.13 2orl h ASP 50 CO 0.63 0.31 -1.41 0.00 -1.61 0.00 0.00 179.24 177.16 2orl h ALA 51 N 1.62 0.32 -0.24 -0.78 0.00 -1.94 -3.22 119.26 115.03 2orl h ALA 51 Ca 0.38 -1.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.04 2orl h ALA 51 Cb 0.63 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2orl h ALA 51 CO -0.15 1.19 -0.54 -0.97 0.00 0.00 0.00 179.25 178.79 2orl h ASN 52 N 0.05 0.77 0.10 0.00 -0.73 -1.84 -2.95 115.58 110.98 2orl h ASN 52 Ca -0.19 -0.41 -0.01 0.00 1.87 0.00 0.00 56.30 57.57 2orl h ASN 52 Cb 1.96 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 40.33 2orl h ASN 52 CO 0.15 1.16 -0.05 0.40 -0.37 0.00 0.00 177.43 178.72 2orl h ILE 53 N 0.54 0.00 -0.25 2.57 2.04 -1.64 -2.96 117.51 117.80 2orl h ILE 53 Ca 0.01 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 65.88 2orl h ILE 53 Cb 1.11 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 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 -2.56 0.02 0.12 2.37 5.02 -1.22 -0.95 118.16 120.96 2orl n LYS 54 Ca -0.02 0.88 -0.18 0.00 -2.02 0.00 0.00 58.31 56.97 2orl n LYS 54 Cb 0.06 -2.32 -0.14 0.00 -0.02 0.00 0.00 35.03 32.60 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 0.34 -5.92 1.97 1.63 -1.35 -3.48 116.57 109.76 2orl h LYS 55 Ca 0.12 -0.58 -0.36 0.00 -0.85 0.00 0.00 60.65 58.97 2orl h LYS 55 Cb 2.04 0.22 -0.16 0.00 -0.60 0.00 0.00 32.23 33.72 2orl h LYS 55 CO -0.00 1.28 -0.55 0.09 -3.45 0.00 0.00 179.45 176.81 2orl n ASN 56 N -3.58 -0.08 -4.75 4.20 3.02 -0.13 -4.89 115.26 109.06 2orl n ASN 56 Ca -0.10 -0.74 -0.41 0.00 -0.03 0.00 0.00 54.58 53.30 2orl n ASN 56 Cb 1.04 -0.93 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 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 -3.22 3.28 -0.69 2.41 0.11 -1.26 -4.33 120.40 116.70 2orl s VAL 57 Ca 0.19 1.17 -0.25 0.00 -2.93 0.00 0.00 61.98 60.16 2orl s VAL 57 Cb -0.11 -3.74 0.05 0.00 -1.53 0.00 0.00 36.38 31.04 2orl s VAL 57 CO 0.59 0.23 1.12 -0.22 -3.33 0.00 0.00 175.10 173.49 2orl s LEU 58 N -0.89 3.76 -0.33 2.54 2.96 -1.26 -0.60 118.68 124.86 2orl s LEU 58 Ca 0.50 -0.65 -0.30 0.00 -0.22 0.00 0.00 54.13 53.47 2orl s LEU 58 Cb -0.35 -2.55 -0.08 0.00 0.50 0.00 0.00 46.19 43.72 2orl s LEU 58 CO 0.42 -1.61 2.26 0.79 -1.32 0.00 0.00 176.35 176.89 2orl n TRP 59 N 8.50 1.72 -4.09 5.38 5.03 -0.52 -4.90 117.44 128.55 2orl n TRP 59 Ca 0.00 0.05 -0.13 0.00 3.03 0.00 0.00 57.50 60.45 2orl n TRP 59 Cb 0.47 -2.64 -0.02 0.00 -1.03 0.00 0.00 31.31 28.09 2orl n TRP 59 CO 0.00 0.00 0.00 -3.47 -0.03 0.00 0.00 177.69 174.19 2orl n ASP 60 N 11.78 2.32 0.19 -0.99 2.03 -1.26 -1.67 116.55 128.95 2orl n ASP 60 Ca 0.36 -1.93 -0.14 0.00 0.52 0.00 0.00 54.79 53.59 2orl n ASP 60 Cb 0.38 0.09 -0.08 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.48 -0.02 -0.67 4.57 -2.02 -2.94 114.58 113.02 2orl h GLU 61 Ca -0.18 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 2orl h GLU 61 Cb 0.57 0.11 0.01 0.00 -0.16 0.00 0.00 28.75 29.27 2orl h GLU 61 CO 0.29 -0.19 -0.34 -0.97 -1.18 0.00 0.00 179.01 176.62 2orl h ASN 62 N -0.75 0.34 -0.89 1.04 -1.24 -1.99 -3.34 115.58 108.75 2orl h ASN 62 Ca -0.05 -0.72 0.20 0.00 0.71 0.00 0.00 56.30 56.43 2orl h ASN 62 Cb 0.51 -0.10 -0.11 0.00 0.73 0.00 0.00 38.32 39.34 2orl h ASN 62 CO 0.08 1.01 0.43 -1.13 -1.29 0.00 0.00 177.43 176.54 2orl h ASN 63 N -0.31 0.43 -0.91 1.15 -0.73 -1.91 -1.10 115.58 112.21 2orl h ASN 63 Ca -0.04 0.13 -0.02 0.00 1.87 0.00 0.00 56.30 58.25 2orl h ASN 63 Cb 1.05 0.08 -0.04 0.00 0.27 0.00 0.00 38.32 39.67 2orl h ASN 63 CO 0.07 0.08 0.50 -0.03 -0.37 0.00 0.00 177.43 177.68 2orl h MET 64 N 0.49 1.26 -0.31 6.67 4.05 -1.63 -2.69 114.93 122.78 2orl h MET 64 Ca 0.54 -0.15 -0.08 0.00 -0.28 0.00 0.00 59.70 59.73 2orl h MET 64 Cb 0.94 -0.25 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 2orl h MET 64 CO -0.47 0.92 -0.14 0.77 0.23 0.00 0.00 176.91 178.23 2orl h SER 65 N 1.27 0.66 -0.81 1.39 0.02 -1.35 0.21 113.55 114.94 2orl h SER 65 Ca 0.32 -0.40 0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2orl h SER 65 Cb 0.02 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.33 2orl h SER 65 CO -0.05 0.91 0.53 1.05 -1.14 0.00 0.00 176.83 178.14 2orl h GLU 66 N 0.41 0.99 0.01 3.45 4.11 -1.35 -2.65 114.58 119.56 2orl h GLU 66 Ca 0.07 -0.06 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 2orl h GLU 66 Cb 0.66 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2orl h GLU 66 CO 0.04 0.66 -0.13 -0.92 0.07 0.00 0.00 179.01 178.73 2orl h TYR 67 N 1.02 0.11 -0.89 2.06 3.20 -1.40 -3.35 116.97 117.72 2orl h TYR 67 Ca 0.32 -0.07 0.13 0.00 3.14 0.00 0.00 58.73 62.25 2orl h TYR 67 Cb -0.00 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.19 2orl h TYR 67 CO -0.00 0.95 0.58 -0.07 -1.64 0.00 0.00 178.16 177.97 2orl h LEU 68 N -0.76 0.72 -2.28 2.82 3.38 -0.81 -1.42 115.31 116.95 2orl h LEU 68 Ca -0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2orl h LEU 68 Cb 0.99 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2orl h LEU 68 CO 0.02 0.38 -0.04 0.74 0.09 0.00 0.00 178.44 179.64 2orl h THR 69 N 0.77 0.59 -0.87 0.22 2.02 -1.60 -3.30 112.91 110.73 2orl h THR 69 Ca 0.44 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 67.36 2orl h THR 69 Cb 0.60 1.09 -0.16 0.00 -1.74 0.00 0.00 68.15 67.94 2orl h THR 69 CO -0.20 0.04 -0.43 0.21 0.37 0.00 0.00 175.52 175.51 2orl s ASN 70 N -6.24 -1.28 0.38 4.18 3.84 -0.61 -4.58 114.94 110.63 2orl s ASN 70 Ca -0.04 -1.39 0.07 0.00 0.21 0.00 0.00 52.86 51.71 2orl s ASN 70 Cb 0.15 1.67 0.76 0.00 -0.55 0.00 0.00 41.25 43.28 2orl s ASN 70 CO 0.57 -0.06 1.95 1.55 -2.79 0.00 0.00 177.10 178.32 2orl h PRO 71 N 5.17 0.41 -0.49 0.43 0.13 -1.54 -2.74 132.00 133.37 2orl h PRO 71 Ca 0.05 -0.07 -0.07 0.00 -0.87 0.00 0.00 66.00 65.04 2orl h PRO 71 Cb 1.13 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 2orl h PRO 71 CO 0.00 0.42 0.02 0.87 -0.23 0.00 0.00 178.00 179.08 2orl h LYS 72 N 0.40 0.80 0.07 0.86 6.56 -1.86 -0.56 116.57 122.84 2orl h LYS 72 Ca 0.09 -0.21 -0.28 0.00 -1.06 0.00 0.00 60.65 59.20 2orl h LYS 72 Cb 0.22 -0.10 0.02 0.00 -0.57 0.00 0.00 32.23 31.81 2orl h LYS 72 CO 0.00 0.80 -1.14 -0.22 -2.06 0.00 0.00 179.45 176.83 2orl h LYS 73 N 0.75 0.59 -0.27 3.15 1.63 -1.89 -3.19 116.57 117.34 2orl h LYS 73 Ca 0.15 -0.73 -0.19 0.00 -0.85 0.00 0.00 60.65 59.03 2orl h LYS 73 Cb 0.43 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 2orl h LYS 73 CO 0.02 1.31 -0.58 -0.92 -3.45 0.00 0.00 179.45 175.83 2orl h TYR 74 N 0.29 1.11 -3.15 1.91 3.20 -1.44 -3.40 116.97 115.49 2orl h TYR 74 Ca -0.15 -0.41 -0.61 0.00 3.14 0.00 0.00 58.73 60.70 2orl h TYR 74 Cb 1.80 -0.20 -0.40 0.00 1.54 0.00 0.00 36.73 39.47 2orl h TYR 74 CO 0.10 1.25 -0.74 0.42 -1.64 0.00 0.00 178.16 177.55 2orl s ILE 75 N -4.08 1.34 -0.46 1.81 1.01 -0.22 -5.07 121.20 115.53 2orl s ILE 75 Ca -0.11 -2.09 -0.27 0.00 0.00 0.00 0.00 60.65 58.18 2orl s ILE 75 Cb 0.10 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 2orl s ILE 75 CO 0.90 -0.77 1.93 -2.16 0.00 0.00 0.00 174.94 174.84 2orl s PRO 76 N 0.91 2.87 0.00 2.79 0.04 -1.20 -2.42 135.00 137.99 2orl s PRO 76 Ca 0.14 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2orl s PRO 76 Cb -0.21 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 29.99 2orl s PRO 76 CO -0.11 -2.41 0.00 0.41 0.04 0.00 0.00 177.00 174.93 2orl n GLY 77 N 5.63 1.15 3.68 0.56 0.00 -1.26 -4.75 105.19 110.20 2orl n GLY 77 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 2orl n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2orl n THR 78 N -0.21 2.63 0.20 2.61 5.66 -1.01 -4.94 114.28 119.21 2orl n THR 78 Ca 0.00 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.58 2orl n THR 78 Cb 0.00 -1.45 0.33 0.00 -1.55 0.00 0.00 70.33 67.66 2orl n THR 78 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2orl h LYS 79 N 1.86 0.00 -6.05 1.09 1.57 -1.98 -3.44 116.57 109.63 2orl h LYS 79 Ca -0.47 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.78 2orl h LYS 79 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 2orl h LYS 79 CO 0.59 0.27 1.38 1.41 -0.57 0.00 0.00 179.45 182.52 2orl s MET 80 N -3.43 2.89 -0.17 3.15 1.75 -1.26 -4.84 119.30 117.39 2orl s MET 80 Ca 0.02 1.21 0.16 0.00 -1.25 0.00 0.00 55.69 55.83 2orl s MET 80 Cb 0.09 -4.34 0.67 0.00 2.84 0.00 0.00 34.83 34.09 2orl s MET 80 CO 0.66 -2.39 1.58 0.00 -0.65 0.00 0.00 175.02 174.23 2orl n ALA 81 N 12.10 3.29 0.21 4.11 0.00 -1.26 -4.71 120.51 134.25 2orl n ALA 81 Ca 0.25 -1.91 0.18 0.00 0.00 0.00 0.00 53.44 51.95 2orl n ALA 81 Cb 0.50 -0.92 0.77 0.00 0.00 0.00 0.00 19.45 19.81 2orl n ALA 81 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2orl h PHE 82 N 3.19 0.00 0.00 0.00 3.57 -1.99 -3.46 116.94 118.25 2orl h PHE 82 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2orl h PHE 82 Cb 1.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.34 2orl h PHE 82 CO 0.77 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 177.26 2orl n GLY 83 N -1.36 3.02 0.49 2.40 0.00 -1.26 -4.90 105.19 103.58 2orl n GLY 83 Ca 0.03 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.57 3.55 -0.02 0.00 -1.26 -4.82 105.19 101.08 2orl n GLY 84 Ca 0.00 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.84 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 3.25 0.55 0.99 1.43 -1.24 -4.82 118.68 118.84 2orl s LEU 85 Ca 0.00 -0.08 0.32 0.00 -1.03 0.00 0.00 54.13 53.34 2orl s LEU 85 Cb 0.00 -2.54 1.53 0.00 0.03 0.00 0.00 46.19 45.21 2orl s LEU 85 CO 0.00 -2.40 2.06 0.11 0.23 0.00 0.00 176.35 176.35 2orl h LYS 86 N 13.33 0.00 -6.31 1.70 1.79 -1.90 -3.41 116.57 121.76 2orl h LYS 86 Ca -0.14 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.75 2orl h LYS 86 Cb 1.10 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.68 2orl h LYS 86 CO 1.23 0.07 0.77 0.15 -1.08 0.00 0.00 179.45 180.59 2orl s LYS 87 N -3.92 3.89 0.18 3.15 1.02 -1.26 -4.96 119.74 117.84 2orl s LYS 87 Ca -0.01 0.75 -0.13 0.00 0.02 0.00 0.00 55.97 56.60 2orl s LYS 87 Cb 0.11 -3.80 0.09 0.00 -0.52 0.00 0.00 37.83 33.71 2orl s LYS 87 CO 0.54 -1.03 1.82 1.49 -0.92 0.00 0.00 175.35 177.25 2orl h GLU 88 N 8.51 0.83 -0.66 1.68 4.81 -1.98 -2.87 114.58 124.89 2orl h GLU 88 Ca -0.22 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.04 2orl h GLU 88 Cb 1.07 -0.17 -0.08 0.00 0.63 0.00 0.00 28.75 30.19 2orl h GLU 88 CO 1.04 0.59 0.25 0.87 -0.73 0.00 0.00 179.01 181.03 2orl h LYS 89 N 0.82 0.41 -0.39 1.92 1.79 -1.93 0.02 116.57 119.22 2orl h LYS 89 Ca 0.22 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2orl h LYS 89 Cb -0.02 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 2orl h LYS 89 CO -0.04 0.27 0.24 -0.44 -1.08 0.00 0.00 179.45 178.40 2orl h ASP 90 N 0.42 0.46 -0.21 0.86 5.19 -1.95 -2.84 116.42 118.35 2orl h ASP 90 Ca 0.34 -0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.60 2orl h ASP 90 Cb 0.46 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 2orl h ASP 90 CO -0.34 0.37 -0.25 0.03 -3.12 0.00 0.00 179.24 175.92 2orl h ARG 91 N 0.51 0.68 -0.47 3.56 3.08 -1.13 -3.11 114.38 117.50 2orl h ARG 91 Ca 0.14 -0.28 0.05 0.00 0.07 0.00 0.00 59.98 59.96 2orl h ARG 91 Cb -0.01 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 29.92 2orl h ARG 91 CO -0.03 0.87 -0.56 -0.91 -1.07 0.00 0.00 179.97 178.27 2orl h ASN 92 N 0.59 -1.90 -0.58 7.04 2.35 -0.77 -1.11 115.58 121.21 2orl h ASN 92 Ca 0.08 0.25 -0.05 0.00 -0.55 0.00 0.00 56.30 56.04 2orl h ASN 92 Cb 0.74 0.79 -0.03 0.00 0.05 0.00 0.00 38.32 39.87 2orl h ASN 92 CO 0.06 -0.39 0.19 -0.78 -1.65 0.00 0.00 177.43 174.87 2orl h ASP 93 N -0.36 0.87 -0.92 5.81 1.82 -1.64 -2.96 116.42 119.03 2orl h ASP 93 Ca 0.08 -0.14 0.10 0.00 -0.39 0.00 0.00 57.03 56.68 2orl h ASP 93 Cb 0.58 -0.23 -0.07 0.00 0.68 0.00 0.00 39.33 40.29 2orl h ASP 93 CO -0.63 0.81 0.59 -0.07 -1.61 0.00 0.00 179.24 178.33 2orl h LEU 94 N 0.91 0.85 -0.15 2.28 3.38 -1.19 -2.18 115.31 119.20 2orl h LEU 94 Ca 0.20 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2orl h LEU 94 Cb 0.26 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2orl h LEU 94 CO -0.01 0.49 -0.06 0.40 0.09 0.00 0.00 178.44 179.35 2orl h ILE 95 N 0.93 1.31 -0.78 1.22 2.04 -1.08 -2.73 117.51 118.41 2orl h ILE 95 Ca 0.43 -1.08 0.09 0.00 1.00 0.00 0.00 64.86 65.30 2orl h ILE 95 Cb 0.40 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.11 2orl h ILE 95 CO -0.19 0.32 0.44 0.74 0.00 0.00 0.00 178.15 179.45 2orl h THR 96 N -0.00 0.92 0.37 -0.27 2.02 -1.40 0.41 112.91 114.95 2orl h THR 96 Ca 0.04 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2orl h THR 96 Cb 0.52 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2orl h THR 96 CO 0.02 0.14 -0.18 0.22 0.37 0.00 0.00 175.52 176.09 2orl h TYR 97 N 0.75 -0.46 -0.58 3.16 3.20 -1.37 -0.16 116.97 121.50 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 0.32 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 2orl h TYR 97 CO -0.07 -0.19 0.36 1.25 -1.64 0.00 0.00 178.16 177.87 2orl h LEU 98 N -0.67 0.70 -1.00 2.82 7.12 -1.23 -2.40 115.31 120.64 2orl h LEU 98 Ca -0.05 -0.05 0.06 0.00 0.13 0.00 0.00 57.88 57.97 2orl h LEU 98 Cb 0.48 -0.18 -0.07 0.00 -0.53 0.00 0.00 40.66 40.37 2orl h LEU 98 CO 0.08 0.54 0.65 0.50 -0.13 0.00 0.00 178.44 180.08 2orl h LYS 99 N 0.79 1.15 -0.17 1.25 3.64 -0.16 -1.90 116.57 121.17 2orl h LYS 99 Ca 0.21 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 2orl h LYS 99 Cb -0.03 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 2orl h LYS 99 CO -0.04 0.76 -0.26 -0.22 -2.27 0.00 0.00 179.45 177.42 2orl h LYS 100 N 1.19 0.31 -0.05 1.90 1.63 -0.53 0.17 116.57 121.20 2orl h LYS 100 Ca 0.43 -0.11 -0.19 0.00 -0.85 0.00 0.00 60.65 59.93 2orl h LYS 100 Cb 0.15 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 2orl h LYS 100 CO -0.17 0.56 -0.78 0.00 -3.45 0.00 0.00 179.45 175.62 2orl h ALA 101 N 1.45 0.58 0.15 5.00 0.00 -1.12 -3.32 119.26 121.99 2orl h ALA 101 Ca 0.04 -0.64 -0.35 0.00 0.00 0.00 0.00 54.91 53.96 2orl h ALA 101 Cb 0.62 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2orl h ALA 101 CO 0.04 0.80 -1.84 1.15 0.00 0.00 0.00 179.25 179.40 2orl h THR 102 N 0.22 0.81 0.00 0.00 2.02 -1.23 -3.48 112.91 111.25 2orl h THR 102 Ca -0.04 -2.47 0.00 0.00 0.77 0.00 0.00 66.41 64.67 2orl h THR 102 Cb 1.36 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 70.40 2orl h THR 102 CO 0.13 0.86 0.00 -1.84 0.37 0.00 0.00 175.52 175.04