#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 0.62 -2.70 -2.82 0.00 -1.26 -5.12 120.64 109.37 2orl n GLU -4 Ca 0.00 -2.73 -0.43 0.00 0.00 0.00 0.00 57.16 54.00 2orl n GLU -4 Cb 0.00 -1.38 -0.02 0.00 0.00 0.00 0.00 31.44 30.04 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 -0.31 3.32 -0.20 4.31 5.36 -1.26 -4.81 117.98 124.39 2orl s PHE -3 Ca 0.33 1.39 -0.02 0.00 -0.96 0.00 0.00 56.93 57.67 2orl s PHE -3 Cb 0.15 -3.27 -0.00 0.00 -0.34 0.00 0.00 43.02 39.56 2orl s PHE -3 CO -0.16 -0.49 -0.09 0.15 -1.46 0.00 0.00 175.22 173.17 2orl s LYS -2 N 3.18 3.26 0.40 10.12 1.02 -1.26 -5.10 119.74 131.36 2orl s LYS -2 Ca 0.43 -0.69 -0.25 0.00 0.02 0.00 0.00 55.97 55.48 2orl s LYS -2 Cb -0.15 -2.86 -0.11 0.00 -0.52 0.00 0.00 37.83 34.19 2orl s LYS -2 CO 0.07 -0.18 1.07 0.00 -0.92 0.00 0.00 175.35 175.39 2orl n ALA -1 N 4.68 0.39 -2.57 5.17 0.00 -1.26 -4.14 120.51 122.78 2orl n ALA -1 Ca -0.19 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2orl n ALA -1 Cb 0.51 -2.11 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 1.10 3.76 3.57 0.00 0.00 -1.26 -4.83 105.19 107.53 2orl n GLY 1 Ca 0.09 -1.72 -0.15 0.00 0.00 0.00 0.00 46.02 44.23 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 0.14 -0.65 0.31 1.61 0.01 -1.26 -5.01 113.70 108.84 2orl s SER 2 Ca 0.00 0.97 0.06 0.00 1.31 0.00 0.00 55.95 58.29 2orl s SER 2 Cb 0.00 0.89 0.72 0.00 0.21 0.00 0.00 66.02 67.84 2orl s SER 2 CO 0.00 -0.42 1.80 0.00 0.41 0.00 0.00 173.24 175.03 2orl h ALA 3 N 3.79 1.68 0.00 1.44 0.00 -1.90 -1.08 119.26 123.19 2orl h ALA 3 Ca -0.27 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2orl h ALA 3 Cb 1.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2orl h ALA 3 CO 0.24 -0.02 0.00 1.17 0.00 0.00 0.00 179.25 180.64 2orl n LYS 4 N -4.71 0.99 -0.01 0.00 4.81 -1.26 -3.00 118.16 114.98 2orl n LYS 4 Ca 0.22 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.61 2orl n LYS 4 Cb 0.53 -1.29 -0.02 0.00 0.02 0.00 0.00 35.03 34.28 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 -0.79 0.17 0.13 1.64 5.02 -0.47 -4.59 118.16 119.28 2orl n LYS 5 Ca 0.14 0.07 0.13 0.00 -2.02 0.00 0.00 58.31 56.63 2orl n LYS 5 Cb 0.06 -0.79 0.65 0.00 -0.02 0.00 0.00 35.03 34.93 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 -0.31 0.04 0.88 0.72 0.00 -1.55 -2.74 103.07 100.12 2orl h GLY 6 Ca -0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 2orl h GLY 6 CO -0.05 0.01 -0.14 0.00 0.00 0.00 0.00 176.54 176.36 2orl h ALA 7 N 1.87 -0.31 -1.02 3.60 0.00 -1.77 -2.32 119.26 119.31 2orl h ALA 7 Ca 0.12 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.23 2orl h ALA 7 Cb 0.43 0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 2orl h ALA 7 CO -0.01 -0.69 0.64 1.79 0.00 0.00 0.00 179.25 180.99 2orl h THR 8 N -0.33 0.55 0.39 0.00 1.35 -1.73 0.43 112.91 113.57 2orl h THR 8 Ca -0.01 -0.16 -0.02 0.00 -0.55 0.00 0.00 66.41 65.67 2orl h THR 8 Cb 0.29 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.74 2orl h THR 8 CO -0.01 0.09 -0.19 -0.07 -0.25 0.00 0.00 175.52 175.09 2orl h LEU 9 N 0.48 -0.45 -1.15 3.87 3.38 -1.58 -2.96 115.31 116.90 2orl h LEU 9 Ca 0.60 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.67 2orl h LEU 9 Cb 1.36 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 42.16 2orl h LEU 9 CO -0.35 -0.15 0.59 0.15 0.09 0.00 0.00 178.44 178.78 2orl h PHE 10 N -0.87 1.03 -0.02 1.13 3.04 -1.15 0.19 116.94 120.29 2orl h PHE 10 Ca -0.05 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2orl h PHE 10 Cb 0.40 -0.33 0.00 0.00 2.56 0.00 0.00 35.95 38.58 2orl h PHE 10 CO 0.03 0.50 0.00 1.17 -2.02 0.00 0.00 178.31 177.99 2orl n LYS 11 N -4.52 1.06 0.00 1.11 4.81 0.15 -0.05 118.16 120.72 2orl n LYS 11 Ca 0.15 -0.10 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2orl n LYS 11 Cb 0.26 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 34.04 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 -0.66 0.00 -0.05 3.15 -1.04 -0.79 -4.49 114.28 110.40 2orl n THR 12 Ca 0.12 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.10 2orl n THR 12 Cb 0.08 -0.13 -0.11 0.00 -1.82 0.00 0.00 70.33 68.35 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 -0.85 1.44 -0.04 -2.82 5.12 0.60 -4.71 116.66 115.40 2orl n ARG 13 Ca 0.00 -0.04 -0.04 0.00 -1.93 0.00 0.00 57.85 55.84 2orl n ARG 13 Cb 0.11 -1.35 -0.05 0.00 -1.16 0.00 0.00 32.46 30.00 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 0.80 -1.53 0.00 5.85 -0.69 -1.73 115.31 118.01 2orl h LEU 15 Ca -0.20 0.06 0.48 0.00 0.84 0.00 0.00 57.88 59.07 2orl h LEU 15 Cb 1.43 -0.09 -0.12 0.00 0.37 0.00 0.00 40.66 42.24 2orl h LEU 15 CO 0.01 0.38 0.99 0.06 -0.34 0.00 0.00 178.44 179.53 2orl h GLN 16 N 0.83 0.03 0.00 1.25 3.07 -1.84 -3.16 115.11 115.29 2orl h GLN 16 Ca 0.51 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.25 2orl h GLN 16 Cb 0.70 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.26 2orl h GLN 16 CO -0.28 0.02 -0.74 0.00 0.09 0.00 0.00 178.83 177.91 2orl n HIS 18 N -1.94 -3.30 -3.65 0.00 8.25 -0.67 -1.22 115.22 112.68 2orl n HIS 18 Ca 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.41 2orl n HIS 18 Cb 0.37 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.41 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 0.37 -0.72 0.17 1.59 -4.23 -1.26 -4.61 115.64 106.94 2orl s THR 19 Ca 0.00 0.06 0.12 0.00 -1.18 0.00 0.00 61.69 60.69 2orl s THR 19 Cb 0.00 -0.86 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 2orl s THR 19 CO 0.00 0.03 1.54 1.62 -0.54 0.00 0.00 174.62 177.27 2orl h VAL 20 N 5.93 1.33 -2.52 2.29 3.04 -1.96 -2.93 116.25 121.43 2orl h VAL 20 Ca -0.20 -2.32 -0.48 0.00 -1.01 0.00 0.00 66.70 62.69 2orl h VAL 20 Cb 1.12 2.30 -0.01 0.00 -2.01 0.00 0.00 31.29 32.70 2orl h VAL 20 CO 0.13 0.63 -0.34 -1.61 -1.01 0.00 0.00 177.57 175.37 2orl s GLU 21 N -3.32 3.47 0.00 4.17 8.01 -1.26 -3.88 118.70 125.89 2orl s GLU 21 Ca 0.00 -0.54 0.27 0.00 0.01 0.00 0.00 54.97 54.70 2orl s GLU 21 Cb 0.11 -2.82 1.42 0.00 -4.31 0.00 0.00 34.13 28.53 2orl s GLU 21 CO 0.76 0.35 1.93 1.17 0.01 0.00 0.00 175.26 179.48 2orl n LYS 22 N -1.32 1.21 0.00 1.61 4.81 -1.26 -3.67 118.16 119.54 2orl n LYS 22 Ca -0.07 -0.31 0.13 0.00 -0.87 0.00 0.00 58.31 57.19 2orl n LYS 22 Cb 0.56 -1.43 0.28 0.00 0.02 0.00 0.00 35.03 34.46 2orl n LYS 22 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2orl n GLY 23 N 1.00 -0.15 3.69 3.14 0.00 -1.26 -4.89 105.19 106.71 2orl n GLY 23 Ca 0.20 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.34 2.34 0.48 -0.02 0.00 -1.24 -5.05 107.32 101.48 2orl s GLY 24 Ca 0.26 -0.01 -0.24 0.00 0.00 0.00 0.00 44.72 44.73 2orl s GLY 24 CO 0.47 1.31 1.37 2.56 0.00 0.00 0.00 173.10 178.81 2orl s PRO 25 N 1.41 3.52 -0.33 2.90 0.04 -1.26 -4.88 135.00 136.40 2orl s PRO 25 Ca 0.35 2.27 -0.28 0.00 0.04 0.00 0.00 61.00 63.38 2orl s PRO 25 Cb -0.17 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 2orl s PRO 25 CO 0.14 -0.89 2.13 -1.01 0.04 0.00 0.00 177.00 177.41 2orl s HIS 26 N -1.27 1.34 0.00 0.56 3.76 -1.26 -4.89 115.29 113.52 2orl s HIS 26 Ca 0.65 0.79 0.00 0.00 -0.15 0.00 0.00 55.06 56.35 2orl s HIS 26 Cb -0.41 -3.92 0.00 0.00 1.11 0.00 0.00 32.58 29.37 2orl s HIS 26 CO 0.50 -3.36 0.00 1.63 -0.85 0.00 0.00 174.74 172.67 2orl n LYS 27 N 8.77 1.43 0.29 1.40 5.02 -1.23 -4.87 118.16 128.97 2orl n LYS 27 Ca 0.29 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 56.76 2orl n LYS 27 Cb 0.48 0.00 0.86 0.00 -0.02 0.00 0.00 35.03 36.35 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 0.11 -4.06 -0.18 2.07 -1.80 -3.43 116.25 108.96 2orl h VAL 28 Ca 0.00 -0.37 -0.50 0.00 0.82 0.00 0.00 66.70 66.65 2orl h VAL 28 Cb 0.00 1.33 -0.24 0.00 -1.52 0.00 0.00 31.29 30.85 2orl h VAL 28 CO 0.00 0.03 -0.81 -0.83 0.02 0.00 0.00 177.57 175.98 2orl s GLY 29 N -4.18 0.95 0.88 2.17 0.00 -0.36 -4.97 107.32 101.82 2orl s GLY 29 Ca -0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 44.72 43.63 2orl s GLY 29 CO 0.51 -0.93 1.09 2.56 0.00 0.00 0.00 173.10 176.33 2orl s PRO 30 N -1.30 1.39 0.22 2.90 0.04 -1.26 -4.25 135.00 132.74 2orl s PRO 30 Ca 0.04 0.83 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 2orl s PRO 30 Cb -0.09 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 2orl s PRO 30 CO 0.02 -2.15 1.40 1.21 0.04 0.00 0.00 177.00 177.51 2orl s ASN 31 N -3.46 6.75 0.00 6.66 3.84 -1.26 -4.35 114.94 123.12 2orl s ASN 31 Ca 0.63 2.55 0.20 0.00 0.21 0.00 0.00 52.86 56.45 2orl s ASN 31 Cb -0.18 -2.61 -0.03 0.00 -0.55 0.00 0.00 41.25 37.88 2orl s ASN 31 CO 0.57 -0.64 0.99 0.18 -2.79 0.00 0.00 177.10 175.41 2orl n LEU 32 N 2.63 1.80 -4.56 3.21 4.77 -1.11 -4.76 117.00 118.99 2orl n LEU 32 Ca 0.07 -0.73 -0.29 0.00 -0.03 0.00 0.00 56.01 55.03 2orl n LEU 32 Cb 0.41 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 2orl n LEU 32 CO 0.59 0.34 1.44 -2.28 -1.33 0.00 0.00 177.39 176.16 2orl s HIS 33 N -2.34 1.63 0.00 -1.77 2.46 -1.25 -2.52 115.29 111.49 2orl s HIS 33 Ca 0.16 0.92 0.00 0.00 0.47 0.00 0.00 55.06 56.61 2orl s HIS 33 Cb 0.16 -3.94 0.00 0.00 -0.13 0.00 0.00 32.58 28.67 2orl s HIS 33 CO 0.55 -1.92 0.00 0.41 -2.47 0.00 0.00 174.74 171.31 2orl n GLY 34 N 6.49 1.51 0.25 1.59 0.00 -1.26 -4.91 105.19 108.87 2orl n GLY 34 Ca 0.36 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 1.28 -1.83 -0.61 3.07 -1.84 -3.43 117.51 114.14 2orl h ILE 35 Ca 0.00 -1.46 -0.61 0.00 1.55 0.00 0.00 64.86 64.34 2orl h ILE 35 Cb 0.00 1.35 0.00 0.00 -0.27 0.00 0.00 36.82 37.90 2orl h ILE 35 CO 0.00 0.48 1.35 0.49 -1.05 0.00 0.00 178.15 179.42 2orl n PHE 36 N -4.07 2.04 0.00 0.16 3.72 -1.25 -1.18 117.46 116.87 2orl n PHE 36 Ca -0.01 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2orl n PHE 36 Cb 0.48 -2.68 0.00 0.00 -0.94 0.00 0.00 39.48 36.35 2orl n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2orl n GLY 37 N 5.46 0.61 3.57 1.37 0.00 0.46 -5.02 105.19 111.65 2orl n GLY 37 Ca 0.30 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.65 1.97 0.63 1.61 0.52 -0.33 -4.89 118.95 117.80 2orl s ARG 38 Ca 0.00 -1.69 -0.09 0.00 -0.52 0.00 0.00 55.73 53.42 2orl s ARG 38 Cb 0.00 -1.91 -0.01 0.00 0.52 0.00 0.00 34.95 33.55 2orl s ARG 38 CO 0.00 0.26 0.99 -1.01 0.02 0.00 0.00 175.30 175.56 2orl s HIS 39 N -2.48 3.42 0.46 -0.53 3.76 -1.26 -0.53 115.29 118.13 2orl s HIS 39 Ca 0.32 0.99 -0.24 0.00 -0.15 0.00 0.00 55.06 55.97 2orl s HIS 39 Cb -0.03 -2.81 -0.08 0.00 1.11 0.00 0.00 32.58 30.77 2orl s HIS 39 CO 0.18 -0.86 1.34 0.43 -0.85 0.00 0.00 174.74 174.98 2orl n SER 40 N -2.75 2.81 -0.91 1.40 7.64 0.06 -3.82 113.62 118.06 2orl n SER 40 Ca 0.05 1.08 -0.02 0.00 1.01 0.00 0.00 58.87 60.99 2orl n SER 40 Cb 0.56 -1.55 0.01 0.00 -1.01 0.00 0.00 64.21 62.22 2orl n SER 40 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2orl n GLY 41 N 0.73 0.68 0.52 0.23 0.00 -1.26 -4.47 105.19 101.61 2orl n GLY 41 Ca 0.07 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.62 2orl n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2orl n GLN 42 N -1.01 1.97 -1.90 1.61 6.02 -1.25 -4.95 117.38 117.88 2orl n GLN 42 Ca -0.01 -2.79 -0.42 0.00 -0.01 0.00 0.00 57.00 53.77 2orl n GLN 42 Cb 0.51 -1.67 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 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 -2.92 3.68 -1.03 -1.58 0.00 -1.26 -4.91 121.76 113.72 2orl s ALA 43 Ca 0.37 1.21 -0.23 0.00 0.00 0.00 0.00 51.96 53.30 2orl s ALA 43 Cb 0.32 -3.72 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 2orl s ALA 43 CO 0.04 -1.19 1.91 -1.21 0.00 0.00 0.00 175.76 175.31 2orl s GLU 44 N 2.96 2.65 0.00 0.00 8.01 -1.26 -2.98 118.70 128.07 2orl s GLU 44 Ca 0.76 -0.73 0.00 0.00 0.01 0.00 0.00 54.97 55.00 2orl s GLU 44 Cb -0.40 -5.17 0.00 0.00 -4.31 0.00 0.00 34.13 24.26 2orl s GLU 44 CO 0.33 -3.50 0.00 0.41 0.01 0.00 0.00 175.26 172.51 2orl n GLY 45 N 6.41 1.68 3.06 -1.39 0.00 -1.26 -5.04 105.19 108.65 2orl n GLY 45 Ca 0.42 0.00 -0.11 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 0.02 0.22 1.61 5.04 -1.16 -5.01 117.35 116.08 2orl s TYR 46 Ca 0.00 -0.05 -0.03 0.00 -2.44 0.00 0.00 57.07 54.55 2orl s TYR 46 Cb 0.00 -0.04 -0.05 0.00 0.35 0.00 0.00 41.96 42.22 2orl s TYR 46 CO 0.00 -0.20 0.45 -1.12 -1.34 0.00 0.00 175.55 173.33 2orl s SER 47 N -0.95 6.42 0.39 4.32 0.01 -1.26 -4.62 113.70 118.02 2orl s SER 47 Ca -0.10 0.54 0.07 0.00 1.31 0.00 0.00 55.95 57.77 2orl s SER 47 Cb -0.06 -2.07 -0.08 0.00 0.21 0.00 0.00 66.02 64.03 2orl s SER 47 CO 0.01 -0.08 -0.01 -0.31 0.41 0.00 0.00 173.24 173.25 2orl s TYR 48 N -1.91 2.48 0.73 2.43 2.02 -1.26 -4.98 117.35 116.85 2orl s TYR 48 Ca 0.41 -0.64 -0.11 0.00 -0.37 0.00 0.00 57.07 56.35 2orl s TYR 48 Cb -0.11 -1.68 0.03 0.00 -0.40 0.00 0.00 41.96 39.80 2orl s TYR 48 CO 0.29 0.47 1.10 0.95 -1.57 0.00 0.00 175.55 176.78 2orl s THR 49 N -2.70 3.40 0.40 -0.71 -4.23 -1.26 -4.93 115.64 105.61 2orl s THR 49 Ca 0.34 0.45 0.12 0.00 -1.18 0.00 0.00 61.69 61.43 2orl s THR 49 Cb 0.08 -3.37 0.33 0.00 1.34 0.00 0.00 72.50 70.88 2orl s THR 49 CO 0.18 -0.59 1.93 -0.78 -0.54 0.00 0.00 174.62 174.81 2orl h ASP 50 N -0.77 0.49 0.52 3.99 3.58 -1.97 -2.77 116.42 119.49 2orl h ASP 50 Ca -0.45 0.02 -0.29 0.00 0.42 0.00 0.00 57.03 56.72 2orl h ASP 50 Cb 1.26 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 2orl h ASP 50 CO 0.62 0.27 -1.46 0.00 -2.88 0.00 0.00 179.24 175.80 2orl h ALA 51 N 1.64 0.28 -0.24 -0.78 0.00 -1.92 -3.22 119.26 115.02 2orl h ALA 51 Ca 0.35 -1.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.02 2orl h ALA 51 Cb 0.64 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2orl h ALA 51 CO -0.12 1.15 -0.51 -0.97 0.00 0.00 0.00 179.25 178.79 2orl h ASN 52 N 0.06 0.76 0.10 0.00 -0.73 -1.85 -3.02 115.58 110.90 2orl h ASN 52 Ca -0.21 -0.39 -0.00 0.00 1.87 0.00 0.00 56.30 57.57 2orl h ASN 52 Cb 1.99 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 40.37 2orl h ASN 52 CO 0.16 1.13 -0.05 0.40 -0.37 0.00 0.00 177.43 178.70 2orl h ILE 53 N 0.54 0.00 -0.32 2.57 2.04 -1.66 -2.95 117.51 117.73 2orl h ILE 53 Ca 0.02 -0.06 0.09 0.00 1.00 0.00 0.00 64.86 65.91 2orl h ILE 53 Cb 1.07 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2orl h ILE 53 CO 0.10 0.00 0.93 0.29 0.00 0.00 0.00 178.15 179.47 2orl n LYS 54 N -2.54 0.02 0.11 2.37 5.02 -1.21 -0.83 118.16 121.10 2orl n LYS 54 Ca -0.02 0.84 -0.19 0.00 -2.02 0.00 0.00 58.31 56.92 2orl n LYS 54 Cb 0.05 -2.19 -0.15 0.00 -0.02 0.00 0.00 35.03 32.73 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 0.35 -6.09 1.97 1.63 -1.38 -3.48 116.57 109.57 2orl h LYS 55 Ca 0.15 -0.60 -0.39 0.00 -0.85 0.00 0.00 60.65 58.96 2orl h LYS 55 Cb 2.00 0.22 -0.17 0.00 -0.60 0.00 0.00 32.23 33.68 2orl h LYS 55 CO -0.00 1.27 -0.60 0.09 -3.45 0.00 0.00 179.45 176.76 2orl n ASN 56 N -3.57 0.00 -4.70 4.20 5.03 -0.01 -4.88 115.26 111.34 2orl n ASN 56 Ca -0.14 -0.80 -0.42 0.00 0.87 0.00 0.00 54.58 54.09 2orl n ASN 56 Cb 1.06 -1.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.78 2orl n ASN 56 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2orl s VAL 57 N -3.38 3.28 -0.61 2.41 1.01 -1.26 -4.26 120.40 117.58 2orl s VAL 57 Ca 0.18 0.83 -0.27 0.00 0.00 0.00 0.00 61.98 62.73 2orl s VAL 57 Cb -0.11 -3.54 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 2orl s VAL 57 CO 0.64 0.04 1.63 -0.22 0.00 0.00 0.00 175.10 177.18 2orl s LEU 58 N 1.73 3.29 -0.53 3.92 2.96 -1.26 -0.76 118.68 128.03 2orl s LEU 58 Ca 0.67 0.20 -0.26 0.00 -0.22 0.00 0.00 54.13 54.52 2orl s LEU 58 Cb -0.37 -2.70 -0.07 0.00 0.50 0.00 0.00 46.19 43.55 2orl s LEU 58 CO 0.30 -2.08 2.35 0.26 -1.32 0.00 0.00 176.35 175.86 2orl s TRP 59 N 7.56 1.14 0.00 5.38 0.23 0.31 -4.64 118.94 128.93 2orl s TRP 59 Ca 0.57 1.53 0.00 0.00 -2.03 0.00 0.00 56.10 56.17 2orl s TRP 59 Cb -0.12 -3.62 0.00 0.00 0.03 0.00 0.00 33.47 29.76 2orl s TRP 59 CO 0.21 -2.41 0.00 -0.40 0.96 0.00 0.00 176.95 175.31 2orl n ASP 60 N 15.86 1.85 -0.06 2.95 5.75 -1.26 -0.41 116.55 141.23 2orl n ASP 60 Ca 0.36 -0.71 -0.10 0.00 -0.01 0.00 0.00 54.79 54.33 2orl n ASP 60 Cb 0.54 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.59 2orl n ASP 60 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2orl h GLU 61 N 0.00 0.32 0.00 0.11 4.57 -2.01 -2.47 114.58 115.10 2orl h GLU 61 Ca 0.00 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2orl h GLU 61 Cb 0.00 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2orl h GLU 61 CO 0.00 0.30 -0.00 -0.97 -1.18 0.00 0.00 179.01 177.16 2orl h ASN 62 N 0.25 -0.00 -0.98 1.04 -1.24 -1.97 -3.32 115.58 109.36 2orl h ASN 62 Ca 0.08 -0.96 0.16 0.00 0.71 0.00 0.00 56.30 56.30 2orl h ASN 62 Cb 0.08 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.03 2orl h ASN 62 CO -0.01 0.97 0.59 0.78 -1.29 0.00 0.00 177.43 178.47 2orl h ASN 63 N -0.99 0.79 -0.54 1.15 2.35 -1.82 -1.69 115.58 114.83 2orl h ASN 63 Ca -0.00 0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.78 2orl h ASN 63 Cb 0.96 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 2orl h ASN 63 CO 0.00 0.33 0.14 -0.03 -1.65 0.00 0.00 177.43 176.22 2orl h MET 64 N 0.81 0.85 -0.69 0.81 4.05 -1.59 -3.15 114.93 116.02 2orl h MET 64 Ca 0.54 -0.20 -0.06 0.00 -0.28 0.00 0.00 59.70 59.70 2orl h MET 64 Cb 0.75 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.40 2orl h MET 64 CO -0.35 0.79 0.18 0.77 0.23 0.00 0.00 176.91 178.54 2orl h SER 65 N 0.75 1.02 0.17 1.39 0.02 -1.43 -2.50 113.55 112.96 2orl h SER 65 Ca 0.17 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2orl h SER 65 Cb 0.32 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 2orl h SER 65 CO -0.00 0.96 -0.40 -0.33 -1.14 0.00 0.00 176.83 175.92 2orl h GLU 66 N 1.03 -0.64 -0.82 3.45 5.08 -1.35 -2.88 114.58 118.44 2orl h GLU 66 Ca 0.22 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2orl h GLU 66 Cb 0.34 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 2orl h GLU 66 CO -0.00 -0.43 0.42 -0.92 -1.00 0.00 0.00 179.01 177.08 2orl h TYR 67 N -0.67 1.16 -0.86 4.33 3.20 -1.52 -3.08 116.97 119.52 2orl h TYR 67 Ca 0.01 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.85 2orl h TYR 67 Cb 0.68 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 2orl h TYR 67 CO -0.33 0.82 0.57 -0.07 -1.64 0.00 0.00 178.16 177.52 2orl h LEU 68 N 1.15 0.99 -1.64 2.82 3.38 -1.25 -1.39 115.31 119.37 2orl h LEU 68 Ca 0.29 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2orl h LEU 68 Cb 0.08 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2orl h LEU 68 CO -0.04 0.72 -0.20 0.71 0.09 0.00 0.00 178.44 179.71 2orl h THR 69 N 1.17 1.00 -0.91 0.22 1.35 -1.41 -2.30 112.91 112.02 2orl h THR 69 Ca 0.32 -0.73 -0.08 0.00 -0.55 0.00 0.00 66.41 65.37 2orl h THR 69 Cb -0.13 1.41 -0.17 0.00 -1.73 0.00 0.00 68.15 67.52 2orl h THR 69 CO -0.07 0.20 -0.43 0.20 -0.25 0.00 0.00 175.52 175.17 2orl s ASN 70 N -6.75 -1.37 0.07 5.36 0.01 -0.93 -4.16 114.94 107.16 2orl s ASN 70 Ca -0.03 -1.13 -0.25 0.00 -0.71 0.00 0.00 52.86 50.73 2orl s ASN 70 Cb 0.15 1.77 -0.16 0.00 0.41 0.00 0.00 41.25 43.41 2orl s ASN 70 CO 0.67 -0.10 1.64 1.55 -1.51 0.00 0.00 177.10 179.35 2orl h PRO 71 N 5.91 -0.14 -0.40 -0.60 0.13 -1.49 -0.86 132.00 134.56 2orl h PRO 71 Ca 0.05 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.14 2orl h PRO 71 Cb 1.15 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2orl h PRO 71 CO 0.04 -0.02 0.06 0.87 -0.23 0.00 0.00 178.00 178.71 2orl h LYS 72 N -0.22 0.60 -0.06 0.86 1.79 -1.81 -0.30 116.57 117.42 2orl h LYS 72 Ca -0.01 -0.12 -0.23 0.00 -2.18 0.00 0.00 60.65 58.11 2orl h LYS 72 Cb 0.18 -0.09 0.01 0.00 -1.58 0.00 0.00 32.23 30.74 2orl h LYS 72 CO 0.02 0.58 -0.88 -0.22 -1.08 0.00 0.00 179.45 177.88 2orl h LYS 73 N 0.58 0.61 -0.05 3.15 1.63 -1.93 -3.15 116.57 117.41 2orl h LYS 73 Ca 0.13 -0.57 -0.24 0.00 -0.85 0.00 0.00 60.65 59.12 2orl h LYS 73 Cb 0.28 0.14 0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2orl h LYS 73 CO 0.00 1.18 -0.93 -0.92 -3.45 0.00 0.00 179.45 175.33 2orl h TYR 74 N 0.38 0.97 -3.17 1.91 3.20 -0.99 -3.40 116.97 115.87 2orl h TYR 74 Ca -0.07 -0.49 -0.61 0.00 3.14 0.00 0.00 58.73 60.69 2orl h TYR 74 Cb 1.50 -0.13 -0.40 0.00 1.54 0.00 0.00 36.73 39.25 2orl h TYR 74 CO 0.08 1.32 -0.73 0.42 -1.64 0.00 0.00 178.16 177.61 2orl s ILE 75 N -3.46 1.47 -0.22 1.81 1.01 -0.14 -5.10 121.20 116.57 2orl s ILE 75 Ca -0.09 -2.24 -0.29 0.00 0.00 0.00 0.00 60.65 58.03 2orl s ILE 75 Cb 0.08 -2.06 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 2orl s ILE 75 CO 0.91 -0.78 1.89 -2.16 0.00 0.00 0.00 174.94 174.80 2orl s PRO 76 N 0.76 3.50 0.00 2.79 0.04 -1.19 -2.52 135.00 138.38 2orl s PRO 76 Ca 0.14 1.81 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2orl s PRO 76 Cb -0.22 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.12 2orl s PRO 76 CO -0.08 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 175.70 2orl n GLY 77 N 5.20 0.83 3.77 0.56 0.00 -1.26 -4.72 105.19 109.57 2orl n GLY 77 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 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 2.61 0.41 2.61 -1.32 -1.05 -4.93 115.64 111.97 2orl s THR 78 Ca 0.00 0.54 0.28 0.00 -1.21 0.00 0.00 61.69 61.30 2orl s THR 78 Cb 0.00 -3.31 0.30 0.00 -1.51 0.00 0.00 72.50 67.98 2orl s THR 78 CO 0.00 0.07 2.08 0.11 -2.21 0.00 0.00 174.62 174.67 2orl h LYS 79 N 2.60 0.00 -6.17 7.08 1.57 -1.99 -3.42 116.57 116.25 2orl h LYS 79 Ca -0.50 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.75 2orl h LYS 79 Cb 1.25 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.52 2orl h LYS 79 CO 0.62 0.11 1.28 1.41 -0.57 0.00 0.00 179.45 182.30 2orl s MET 80 N -4.17 3.01 -0.19 3.15 1.75 -1.26 -4.85 119.30 116.74 2orl s MET 80 Ca -0.03 0.90 0.16 0.00 -1.25 0.00 0.00 55.69 55.47 2orl s MET 80 Cb 0.13 -4.27 0.79 0.00 2.84 0.00 0.00 34.83 34.32 2orl s MET 80 CO 0.58 -2.26 1.71 0.00 -0.65 0.00 0.00 175.02 174.40 2orl n ALA 81 N 11.28 3.58 0.15 4.11 0.00 -1.26 -4.59 120.51 133.78 2orl n ALA 81 Ca 0.20 -1.79 0.10 0.00 0.00 0.00 0.00 53.44 51.95 2orl n ALA 81 Cb 0.50 -1.09 0.53 0.00 0.00 0.00 0.00 19.45 19.39 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 0.85 0.66 0.00 0.00 7.35 -1.26 -4.90 117.46 120.16 2orl n PHE 82 Ca 0.27 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 57.31 2orl n PHE 82 Cb 1.08 -1.05 0.00 0.00 0.35 0.00 0.00 39.48 39.86 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 -1.31 2.19 0.33 7.13 0.00 -1.26 -4.83 105.19 107.44 2orl n GLY 83 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.04 3.57 -0.02 0.00 -1.26 -4.73 105.19 101.70 2orl n GLY 84 Ca 0.00 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.73 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 3.43 0.16 0.99 1.43 -0.86 -4.76 118.68 119.06 2orl s LEU 85 Ca 0.00 -1.46 0.15 0.00 -1.03 0.00 0.00 54.13 51.79 2orl s LEU 85 Cb 0.00 -2.57 0.72 0.00 0.03 0.00 0.00 46.19 44.37 2orl s LEU 85 CO 0.00 -1.94 1.47 0.29 0.23 0.00 0.00 176.35 176.40 2orl n LYS 86 N 8.72 0.09 -2.61 1.70 5.02 -1.26 -4.31 118.16 125.50 2orl n LYS 86 Ca 0.39 0.47 -0.42 0.00 -2.02 0.00 0.00 58.31 56.73 2orl n LYS 86 Cb 0.49 -1.73 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 2orl n LYS 86 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2orl s LYS 87 N -3.24 3.39 0.20 1.97 1.02 -1.26 -4.95 119.74 116.86 2orl s LYS 87 Ca 0.02 0.01 -0.13 0.00 0.02 0.00 0.00 55.97 55.89 2orl s LYS 87 Cb 0.06 -4.07 0.22 0.00 -0.52 0.00 0.00 37.83 33.52 2orl s LYS 87 CO 0.21 -1.80 1.67 1.49 -0.92 0.00 0.00 175.35 176.00 2orl h GLU 88 N 9.66 0.09 -0.61 1.68 4.81 -1.98 -2.32 114.58 125.90 2orl h GLU 88 Ca -0.26 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.08 2orl h GLU 88 Cb 1.06 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.33 2orl h GLU 88 CO 1.20 0.06 0.16 0.87 -0.73 0.00 0.00 179.01 180.57 2orl h LYS 89 N 0.09 0.29 -0.41 1.92 1.79 -1.92 -0.60 116.57 117.72 2orl h LYS 89 Ca 0.28 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.76 2orl h LYS 89 Cb 0.43 -0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.98 2orl h LYS 89 CO -0.48 0.19 0.19 -0.44 -1.08 0.00 0.00 179.45 177.83 2orl h ASP 90 N 0.30 0.27 -0.09 0.86 5.19 -1.82 -2.45 116.42 118.68 2orl h ASP 90 Ca 0.32 0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.63 2orl h ASP 90 Cb 0.46 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 2orl h ASP 90 CO -0.38 0.20 -0.35 0.03 -3.12 0.00 0.00 179.24 175.62 2orl h ARG 91 N 0.39 0.59 -0.67 3.56 3.08 -1.13 -3.18 114.38 117.02 2orl h ARG 91 Ca 0.18 -0.27 0.07 0.00 0.07 0.00 0.00 59.98 60.02 2orl h ARG 91 Cb 0.10 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.05 2orl h ARG 91 CO -0.14 0.85 -0.55 -0.91 -1.07 0.00 0.00 179.97 178.16 2orl h ASN 92 N 0.50 -1.92 -0.72 7.04 2.35 -0.63 0.20 115.58 122.40 2orl h ASN 92 Ca 0.05 0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 56.06 2orl h ASN 92 Cb 0.83 0.82 -0.03 0.00 0.05 0.00 0.00 38.32 39.99 2orl h ASN 92 CO 0.07 -0.30 0.39 -0.78 -1.65 0.00 0.00 177.43 175.16 2orl h ASP 93 N -0.19 0.91 -0.99 5.81 1.82 -1.64 -2.88 116.42 119.27 2orl h ASP 93 Ca 0.11 -0.08 0.07 0.00 -0.39 0.00 0.00 57.03 56.74 2orl h ASP 93 Cb 0.48 -0.23 -0.07 0.00 0.68 0.00 0.00 39.33 40.19 2orl h ASP 93 CO -0.73 0.74 0.64 -0.07 -1.61 0.00 0.00 179.24 178.21 2orl h LEU 94 N 1.02 1.01 0.16 2.28 3.38 -1.02 -2.60 115.31 119.53 2orl h LEU 94 Ca 0.26 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 2orl h LEU 94 Cb 0.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2orl h LEU 94 CO -0.04 0.64 -0.07 0.40 0.09 0.00 0.00 178.44 179.46 2orl h ILE 95 N 1.14 0.86 -0.82 1.22 2.04 -0.83 -1.27 117.51 119.86 2orl h ILE 95 Ca 0.43 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 66.34 2orl h ILE 95 Cb 0.19 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 2orl h ILE 95 CO -0.17 0.01 0.45 0.74 0.00 0.00 0.00 178.15 179.18 2orl h THR 96 N -0.23 0.85 0.18 -0.27 2.02 -1.49 0.30 112.91 114.26 2orl h THR 96 Ca -0.02 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 2orl h THR 96 Cb 0.18 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 2orl h THR 96 CO 0.04 0.13 -0.08 0.22 0.37 0.00 0.00 175.52 176.19 2orl h TYR 97 N 0.72 -0.22 -0.16 3.16 3.20 -1.25 -1.94 116.97 120.49 2orl h TYR 97 Ca 0.41 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.28 2orl h TYR 97 Cb 0.45 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 2orl h TYR 97 CO -0.07 0.15 0.10 1.25 -1.64 0.00 0.00 178.16 177.94 2orl h LEU 98 N -0.64 0.19 -0.96 2.82 5.85 -0.97 -2.52 115.31 119.08 2orl h LEU 98 Ca -0.02 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.75 2orl h LEU 98 Cb 0.47 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 2orl h LEU 98 CO 0.04 0.18 0.60 0.50 -0.34 0.00 0.00 178.44 179.42 2orl h LYS 99 N 0.18 0.98 0.00 1.25 3.64 -0.48 -1.76 116.57 120.38 2orl h LYS 99 Ca 0.06 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.26 2orl h LYS 99 Cb 0.02 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 2orl h LYS 99 CO -0.01 0.65 -0.56 -0.22 -2.27 0.00 0.00 179.45 177.04 2orl h LYS 100 N 1.01 0.00 0.14 1.90 1.63 -1.01 -2.14 116.57 118.10 2orl h LYS 100 Ca 0.45 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.98 2orl h LYS 100 Cb 0.36 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.00 2orl h LYS 100 CO -0.23 0.56 -1.25 0.00 -3.45 0.00 0.00 179.45 175.08 2orl h ALA 101 N 1.44 0.08 0.15 5.00 0.00 -1.11 -3.34 119.26 121.48 2orl h ALA 101 Ca -0.01 -0.87 -0.31 0.00 0.00 0.00 0.00 54.91 53.73 2orl h ALA 101 Cb 1.01 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.87 2orl h ALA 101 CO 0.07 0.92 -1.30 1.15 0.00 0.00 0.00 179.25 180.09 2orl h THR 102 N 0.10 1.28 0.00 0.00 2.02 -1.31 -3.46 112.91 111.53 2orl h THR 102 Ca -0.15 -2.51 0.00 0.00 0.77 0.00 0.00 66.41 64.52 2orl h THR 102 Cb 1.97 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 71.14 2orl h THR 102 CO 0.21 0.76 0.00 -1.84 0.37 0.00 0.00 175.52 175.02