#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 1.62 -2.25 -2.82 0.00 -1.26 -5.09 120.64 110.83 2orl n GLU -4 Ca 0.00 -3.85 -0.43 0.00 0.00 0.00 0.00 57.16 52.88 2orl n GLU -4 Cb 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 31.44 29.65 2orl n GLU -4 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.13 177.25 2orl s PHE -3 N -2.32 2.46 -0.20 4.31 5.36 -1.26 -4.87 117.98 121.47 2orl s PHE -3 Ca 0.40 0.67 -0.02 0.00 -0.96 0.00 0.00 56.93 57.03 2orl s PHE -3 Cb 0.25 -3.73 -0.00 0.00 -0.34 0.00 0.00 43.02 39.20 2orl s PHE -3 CO -0.09 -2.56 -0.09 0.15 -1.46 0.00 0.00 175.22 171.17 2orl s LYS -2 N 3.88 3.28 0.40 10.12 1.02 -1.26 -5.10 119.74 132.07 2orl s LYS -2 Ca 0.63 -0.68 -0.25 0.00 0.02 0.00 0.00 55.97 55.68 2orl s LYS -2 Cb -0.25 -2.86 -0.11 0.00 -0.52 0.00 0.00 37.83 34.09 2orl s LYS -2 CO 0.22 -0.16 1.10 0.00 -0.92 0.00 0.00 175.35 175.59 2orl n ALA -1 N 4.63 0.53 -2.63 5.17 0.00 -1.26 -4.04 120.51 122.90 2orl n ALA -1 Ca -0.19 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2orl n ALA -1 Cb 0.51 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.82 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 1.06 3.96 3.59 0.00 0.00 -1.26 -4.82 105.19 107.71 2orl n GLY 1 Ca 0.08 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.24 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 0.26 -0.69 0.29 1.61 0.01 -1.26 -4.99 113.70 108.93 2orl s SER 2 Ca 0.00 1.11 0.04 0.00 1.31 0.00 0.00 55.95 58.41 2orl s SER 2 Cb 0.00 1.05 0.68 0.00 0.21 0.00 0.00 66.02 67.96 2orl s SER 2 CO 0.00 -0.39 1.77 0.00 0.41 0.00 0.00 173.24 175.03 2orl h ALA 3 N 4.11 1.55 0.00 1.44 0.00 -1.89 -1.66 119.26 122.82 2orl h ALA 3 Ca -0.28 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2orl h ALA 3 Cb 1.15 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2orl h ALA 3 CO 0.19 -0.07 0.00 1.17 0.00 0.00 0.00 179.25 180.54 2orl n LYS 4 N -4.81 0.83 -0.04 0.00 4.81 -1.26 -2.93 118.16 114.76 2orl n LYS 4 Ca 0.22 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.57 2orl n LYS 4 Cb 0.54 -1.22 -0.03 0.00 0.02 0.00 0.00 35.03 34.34 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 -0.72 0.19 -0.12 1.64 5.02 -0.64 -4.53 118.16 119.00 2orl n LYS 5 Ca 0.09 0.08 0.06 0.00 -2.02 0.00 0.00 58.31 56.52 2orl n LYS 5 Cb 0.04 -0.82 0.39 0.00 -0.02 0.00 0.00 35.03 34.62 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 -0.33 0.80 1.00 0.72 0.00 -1.59 -2.67 103.07 101.01 2orl h GLY 6 Ca -0.21 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2orl h GLY 6 CO -0.12 0.21 0.29 0.00 0.00 0.00 0.00 176.54 176.92 2orl h ALA 7 N 1.65 0.56 -0.87 3.60 0.00 -1.80 -2.13 119.26 120.27 2orl h ALA 7 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2orl h ALA 7 Cb 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2orl h ALA 7 CO -0.08 0.02 0.55 1.79 0.00 0.00 0.00 179.25 181.53 2orl h THR 8 N 0.60 1.23 0.35 0.00 1.35 -1.71 -0.55 112.91 114.19 2orl h THR 8 Ca 0.16 -0.48 -0.02 0.00 -0.55 0.00 0.00 66.41 65.53 2orl h THR 8 Cb -0.07 -0.02 0.00 0.00 -1.73 0.00 0.00 68.15 66.34 2orl h THR 8 CO -0.03 0.24 -0.17 -0.07 -0.25 0.00 0.00 175.52 175.23 2orl h LEU 9 N 1.19 -0.40 -1.38 3.87 3.38 -1.52 -3.13 115.31 117.32 2orl h LEU 9 Ca 0.32 -0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.24 2orl h LEU 9 Cb -0.09 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2orl h LEU 9 CO -0.06 -0.03 0.51 0.15 0.09 0.00 0.00 178.44 179.10 2orl h PHE 10 N -0.82 0.74 0.00 1.13 3.57 -1.34 -2.62 116.94 117.59 2orl h PHE 10 Ca -0.05 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2orl h PHE 10 Cb 0.53 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.03 2orl h PHE 10 CO 0.02 0.34 0.03 -0.22 -2.23 0.00 0.00 178.31 176.26 2orl h LYS 11 N 0.69 0.00 0.00 1.11 3.64 -1.03 0.25 116.57 121.22 2orl h LYS 11 Ca 0.36 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.60 2orl h LYS 11 Cb 0.49 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.00 2orl h LYS 11 CO -0.14 0.00 -0.91 -2.37 -2.27 0.00 0.00 179.45 173.76 2orl n THR 12 N -2.53 0.19 0.00 1.00 5.66 -1.00 -4.49 114.28 113.10 2orl n THR 12 Ca -0.02 -1.05 0.00 0.00 -3.05 0.00 0.00 64.05 59.93 2orl n THR 12 Cb 0.08 0.82 0.00 0.00 -1.55 0.00 0.00 70.33 69.68 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 0.29 0.00 0.00 1.09 5.12 -0.89 -4.97 116.66 117.29 2orl n ARG 13 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 2orl n ARG 13 Cb 1.05 -0.40 0.00 0.00 -1.16 0.00 0.00 32.46 31.95 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 0.45 -1.49 0.00 5.85 -1.08 -1.26 115.31 117.78 2orl h LEU 15 Ca 0.00 0.16 0.45 0.00 0.84 0.00 0.00 57.88 59.33 2orl h LEU 15 Cb 0.97 0.12 -0.12 0.00 0.37 0.00 0.00 40.66 42.00 2orl h LEU 15 CO 0.00 -0.02 0.92 0.06 -0.34 0.00 0.00 178.44 179.05 2orl h GLN 16 N 0.41 0.07 0.00 1.25 3.07 -1.83 -3.12 115.11 114.96 2orl h GLN 16 Ca 0.63 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.37 2orl h GLN 16 Cb 1.28 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.83 2orl h GLN 16 CO -0.55 0.04 -0.83 0.00 0.09 0.00 0.00 178.83 177.58 2orl n HIS 18 N -1.81 -1.98 -3.69 0.00 8.25 -0.53 -1.26 115.22 114.20 2orl n HIS 18 Ca 0.00 -1.49 -0.17 0.00 -0.26 0.00 0.00 57.72 55.80 2orl n HIS 18 Cb 0.42 -0.35 -0.16 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.58 -0.18 0.10 1.59 -4.23 -1.26 -4.55 115.64 105.54 2orl s THR 19 Ca 0.35 0.33 0.11 0.00 -1.18 0.00 0.00 61.69 61.30 2orl s THR 19 Cb -0.03 -0.24 -0.06 0.00 1.34 0.00 0.00 72.50 73.52 2orl s THR 19 CO 0.22 0.14 1.46 1.62 -0.54 0.00 0.00 174.62 177.52 2orl h VAL 20 N 6.33 1.34 -0.69 2.29 3.04 -1.95 -1.91 116.25 124.70 2orl h VAL 20 Ca -0.20 -2.58 -0.59 0.00 -1.01 0.00 0.00 66.70 62.32 2orl h VAL 20 Cb 1.12 2.46 -0.07 0.00 -2.01 0.00 0.00 31.29 32.79 2orl h VAL 20 CO 0.22 0.69 -0.36 -1.83 -1.01 0.00 0.00 177.57 175.28 2orl s GLU 21 N -3.10 2.26 -0.18 4.17 4.04 -1.26 -3.18 118.70 121.45 2orl s GLU 21 Ca 0.01 -2.04 0.12 0.00 0.04 0.00 0.00 54.97 53.10 2orl s GLU 21 Cb 0.10 -2.01 0.65 0.00 0.02 0.00 0.00 34.13 32.90 2orl s GLU 21 CO 0.77 -0.50 1.50 1.63 -1.84 0.00 0.00 175.26 176.82 2orl n LYS 22 N -1.62 4.02 -0.00 -4.83 5.02 -1.26 -4.29 118.16 115.20 2orl n LYS 22 Ca -0.04 -2.51 -0.04 0.00 -2.02 0.00 0.00 58.31 53.70 2orl n LYS 22 Cb 0.65 -2.07 -0.12 0.00 -0.02 0.00 0.00 35.03 33.47 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 0.58 -1.09 3.67 0.72 0.00 -1.26 -4.88 105.19 102.93 2orl n GLY 23 Ca 0.22 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 2.13 0.86 -0.02 0.00 -1.26 -5.06 107.32 98.98 2orl s GLY 24 Ca -0.04 -0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.43 2orl s GLY 24 CO 0.82 1.40 1.16 2.56 0.00 0.00 0.00 173.10 179.04 2orl s PRO 25 N 1.84 1.38 -0.04 2.90 0.04 -1.26 -4.87 135.00 134.99 2orl s PRO 25 Ca 0.32 1.58 -0.32 0.00 0.04 0.00 0.00 61.00 62.63 2orl s PRO 25 Cb -0.16 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.52 2orl s PRO 25 CO 0.12 -2.37 1.97 0.72 0.04 0.00 0.00 177.00 177.47 2orl n HIS 26 N -3.81 2.39 0.00 0.56 8.25 -1.26 -4.91 115.22 116.44 2orl n HIS 26 Ca 0.12 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 2orl n HIS 26 Cb 0.52 -2.74 0.00 0.00 1.12 0.00 0.00 29.99 28.88 2orl n HIS 26 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2orl n LYS 27 N 7.32 0.00 0.27 -0.41 4.81 -1.26 -4.91 118.16 123.97 2orl n LYS 27 Ca 0.22 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.81 2orl n LYS 27 Cb 0.36 0.00 0.71 0.00 0.02 0.00 0.00 35.03 36.12 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 0.32 -3.56 3.15 2.07 -1.73 -3.45 116.25 113.05 2orl h VAL 28 Ca 0.00 -0.61 -0.34 0.00 0.82 0.00 0.00 66.70 66.57 2orl h VAL 28 Cb 0.00 1.46 -0.14 0.00 -1.52 0.00 0.00 31.29 31.08 2orl h VAL 28 CO 0.00 0.09 -0.65 -0.83 0.02 0.00 0.00 177.57 176.20 2orl s GLY 29 N -4.21 1.49 1.08 2.17 0.00 -0.39 -4.99 107.32 102.47 2orl s GLY 29 Ca -0.01 -1.73 -0.15 0.00 0.00 0.00 0.00 44.72 42.82 2orl s GLY 29 CO 0.56 -1.61 1.11 2.56 0.00 0.00 0.00 173.10 175.72 2orl s PRO 30 N -3.92 -0.28 -0.05 2.90 0.04 -1.26 -4.64 135.00 127.79 2orl s PRO 30 Ca 0.29 0.23 -0.27 0.00 0.04 0.00 0.00 61.00 61.29 2orl s PRO 30 Cb 0.06 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.89 2orl s PRO 30 CO 0.08 -3.14 0.86 1.21 0.04 0.00 0.00 177.00 176.05 2orl s ASN 31 N -3.68 7.17 0.10 6.66 3.84 -1.26 -4.15 114.94 123.62 2orl s ASN 31 Ca 0.68 1.42 0.04 0.00 0.21 0.00 0.00 52.86 55.20 2orl s ASN 31 Cb -0.15 -2.50 -0.23 0.00 -0.55 0.00 0.00 41.25 37.83 2orl s ASN 31 CO 0.57 -0.23 1.22 -0.07 -2.79 0.00 0.00 177.10 175.79 2orl h LEU 32 N 7.05 0.12 -8.40 3.21 3.38 -1.62 -3.44 115.31 115.60 2orl h LEU 32 Ca -0.39 -0.13 -0.23 0.00 0.09 0.00 0.00 57.88 57.22 2orl h LEU 32 Cb 1.20 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 2orl h LEU 32 CO 0.77 1.11 0.86 1.57 0.09 0.00 0.00 178.44 182.83 2orl n HIS 33 N -3.40 1.15 0.00 1.13 -0.00 -1.19 -1.46 115.22 111.46 2orl n HIS 33 Ca -0.03 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.21 2orl n HIS 33 Cb 0.97 -2.47 0.00 0.00 -0.12 0.00 0.00 29.99 28.37 2orl n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2orl n GLY 34 N 6.40 1.23 0.22 1.57 0.00 -1.26 -4.89 105.19 108.46 2orl n GLY 34 Ca 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 -1.98 -0.61 3.07 -1.54 -3.43 117.51 114.30 2orl h ILE 35 Ca 0.00 -1.39 -0.59 0.00 1.55 0.00 0.00 64.86 64.44 2orl h ILE 35 Cb 0.00 1.51 0.01 0.00 -0.27 0.00 0.00 36.82 38.07 2orl h ILE 35 CO 0.00 0.43 1.34 0.49 -1.05 0.00 0.00 178.15 179.35 2orl n PHE 36 N -4.08 2.15 0.00 0.16 3.72 -1.26 -1.47 117.46 116.68 2orl n PHE 36 Ca -0.01 -0.13 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 2orl n PHE 36 Cb 0.44 -2.71 0.00 0.00 -0.94 0.00 0.00 39.48 36.27 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 5.26 1.84 3.99 1.37 0.00 -0.25 -5.04 105.19 112.36 2orl n GLY 37 Ca 0.27 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.76 2.68 0.28 1.61 0.52 -0.54 -4.80 118.95 117.93 2orl s ARG 38 Ca 0.00 -1.05 0.01 0.00 -0.52 0.00 0.00 55.73 54.17 2orl s ARG 38 Cb 0.00 -2.63 -0.04 0.00 0.52 0.00 0.00 34.95 32.80 2orl s ARG 38 CO 0.00 -0.49 0.46 -1.01 0.02 0.00 0.00 175.30 174.28 2orl s HIS 39 N -2.55 3.48 0.25 -0.53 3.76 -1.26 -0.72 115.29 117.73 2orl s HIS 39 Ca 0.56 0.26 -0.31 0.00 -0.15 0.00 0.00 55.06 55.42 2orl s HIS 39 Cb -0.10 -1.80 -0.12 0.00 1.11 0.00 0.00 32.58 31.67 2orl s HIS 39 CO 0.36 0.28 1.58 0.43 -0.85 0.00 0.00 174.74 176.54 2orl n SER 40 N -1.36 3.58 -0.11 1.40 7.64 0.83 -3.50 113.62 122.10 2orl n SER 40 Ca -0.06 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2orl n SER 40 Cb 0.56 -1.54 0.00 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 2.69 1.08 0.75 0.23 0.00 -1.26 -3.89 105.19 104.79 2orl n GLY 41 Ca 0.12 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.66 1.90 -1.83 1.61 6.02 -1.23 -4.94 117.38 118.24 2orl n GLN 42 Ca 0.00 -3.01 -0.41 0.00 -0.01 0.00 0.00 57.00 53.57 2orl n GLN 42 Cb 0.25 -1.71 -0.01 0.00 1.02 0.00 0.00 30.24 29.79 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 -3.08 3.61 -1.17 -1.58 0.00 -1.26 -4.89 121.76 113.40 2orl s ALA 43 Ca 0.40 1.54 -0.15 0.00 0.00 0.00 0.00 51.96 53.74 2orl s ALA 43 Cb 0.36 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.81 2orl s ALA 43 CO 0.01 -0.99 2.20 0.39 0.00 0.00 0.00 175.76 177.37 2orl n GLU 44 N 1.00 2.38 0.00 0.00 4.71 -1.26 -3.44 120.64 124.04 2orl n GLU 44 Ca 0.03 -2.13 0.00 0.00 -0.01 0.00 0.00 57.16 55.05 2orl n GLU 44 Cb 0.39 -2.99 0.00 0.00 -1.01 0.00 0.00 31.44 27.83 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 4.14 1.71 3.27 0.62 0.00 -1.26 -5.04 105.19 108.64 2orl n GLY 45 Ca 0.54 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.32 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 -1.92 1.74 -0.09 1.61 6.14 -1.22 -5.03 117.35 118.58 2orl s TYR 46 Ca 0.00 -0.41 -0.04 0.00 0.64 0.00 0.00 57.07 57.27 2orl s TYR 46 Cb 0.00 -0.98 -0.04 0.00 0.42 0.00 0.00 41.96 41.36 2orl s TYR 46 CO 0.00 0.16 0.07 -1.12 0.64 0.00 0.00 175.55 175.30 2orl s SER 47 N -1.70 5.75 0.29 4.32 0.01 -1.26 -4.60 113.70 116.51 2orl s SER 47 Ca 0.06 0.28 0.08 0.00 1.31 0.00 0.00 55.95 57.68 2orl s SER 47 Cb -0.10 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.37 2orl s SER 47 CO 0.03 0.38 0.13 -0.31 0.41 0.00 0.00 173.24 173.89 2orl s TYR 48 N -0.98 2.86 0.86 2.43 1.51 -1.26 -5.02 117.35 117.75 2orl s TYR 48 Ca 0.15 -0.23 -0.11 0.00 -1.01 0.00 0.00 57.07 55.87 2orl s TYR 48 Cb -0.12 -1.43 0.11 0.00 -0.11 0.00 0.00 41.96 40.41 2orl s TYR 48 CO 0.04 0.47 1.10 0.95 -1.11 0.00 0.00 175.55 177.00 2orl s THR 49 N -2.28 2.85 0.41 -0.71 -4.23 -1.26 -4.85 115.64 105.57 2orl s THR 49 Ca 0.34 0.28 0.16 0.00 -1.18 0.00 0.00 61.69 61.29 2orl s THR 49 Cb -0.06 -2.69 0.37 0.00 1.34 0.00 0.00 72.50 71.46 2orl s THR 49 CO 0.23 -0.36 1.85 -0.78 -0.54 0.00 0.00 174.62 175.02 2orl h ASP 50 N -1.45 0.45 0.52 3.99 1.82 -1.96 -2.22 116.42 117.58 2orl h ASP 50 Ca -0.47 0.05 -0.29 0.00 -0.39 0.00 0.00 57.03 55.93 2orl h ASP 50 Cb 1.26 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 41.21 2orl h ASP 50 CO 0.51 0.18 -1.54 0.00 -1.61 0.00 0.00 179.24 176.79 2orl h ALA 51 N 1.61 0.44 -0.28 -0.78 0.00 -1.92 -3.28 119.26 115.05 2orl h ALA 51 Ca 0.47 -1.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.03 2orl h ALA 51 Cb 1.11 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2orl h ALA 51 CO -0.19 1.30 -0.45 -0.97 0.00 0.00 0.00 179.25 178.93 2orl h ASN 52 N 0.04 0.78 0.15 0.00 -1.24 -1.77 -2.96 115.58 110.59 2orl h ASN 52 Ca -0.23 -0.38 -0.01 0.00 0.71 0.00 0.00 56.30 56.39 2orl h ASN 52 Cb 1.98 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 40.81 2orl h ASN 52 CO 0.13 1.12 -0.07 0.40 -1.29 0.00 0.00 177.43 177.71 2orl h ILE 53 N 0.58 0.00 -0.22 2.57 2.04 -1.66 -2.88 117.51 117.94 2orl h ILE 53 Ca 0.04 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.89 2orl h ILE 53 Cb 1.01 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2orl h ILE 53 CO 0.10 0.00 0.94 0.29 0.00 0.00 0.00 178.15 179.48 2orl n LYS 54 N -2.74 0.02 0.10 2.37 5.02 -1.24 -0.96 118.16 120.73 2orl n LYS 54 Ca -0.03 0.86 -0.21 0.00 -2.02 0.00 0.00 58.31 56.92 2orl n LYS 54 Cb 0.08 -2.29 -0.15 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 0.38 -5.71 1.97 1.63 -1.33 -3.48 116.57 110.03 2orl h LYS 55 Ca 0.11 -0.66 -0.18 0.00 -0.85 0.00 0.00 60.65 59.07 2orl h LYS 55 Cb 1.99 0.24 -0.06 0.00 -0.60 0.00 0.00 32.23 33.80 2orl h LYS 55 CO -0.00 1.29 -0.28 0.09 -3.45 0.00 0.00 179.45 177.10 2orl n ASN 56 N -3.58 0.18 -4.74 4.20 3.02 -0.13 -4.86 115.26 109.34 2orl n ASN 56 Ca -0.18 -0.37 -0.41 0.00 -0.03 0.00 0.00 54.58 53.59 2orl n ASN 56 Cb 1.07 -0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 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 -3.48 3.37 -0.68 2.41 0.11 -1.26 -4.09 120.40 116.78 2orl s VAL 57 Ca 0.01 1.16 -0.27 0.00 -2.93 0.00 0.00 61.98 59.95 2orl s VAL 57 Cb -0.01 -3.74 0.02 0.00 -1.53 0.00 0.00 36.38 31.12 2orl s VAL 57 CO 0.29 0.19 1.34 -0.22 -3.33 0.00 0.00 175.10 173.37 2orl s LEU 58 N -0.36 3.26 -0.19 2.54 0.20 -1.26 -0.12 118.68 122.74 2orl s LEU 58 Ca 0.54 -0.18 -0.30 0.00 0.69 0.00 0.00 54.13 54.87 2orl s LEU 58 Cb -0.35 -2.73 -0.08 0.00 -0.43 0.00 0.00 46.19 42.61 2orl s LEU 58 CO 0.39 -1.81 2.14 0.79 -0.29 0.00 0.00 176.35 177.57 2orl n TRP 59 N 9.56 2.01 -4.33 5.38 5.03 0.10 -4.90 117.44 130.28 2orl n TRP 59 Ca 0.07 -0.07 -0.15 0.00 3.03 0.00 0.00 57.50 60.38 2orl n TRP 59 Cb 0.49 -2.69 -0.03 0.00 -1.03 0.00 0.00 31.31 28.05 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 10.19 2.48 0.22 -0.99 2.03 -1.26 -1.09 116.55 128.13 2orl n ASP 60 Ca 0.30 -2.01 -0.13 0.00 0.52 0.00 0.00 54.79 53.47 2orl n ASP 60 Cb 0.38 0.19 -0.07 0.00 -0.72 0.00 0.00 41.12 40.90 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 -0.58 -0.01 -0.67 4.57 -2.01 -2.81 114.58 113.08 2orl h GLU 61 Ca -0.19 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2orl h GLU 61 Cb 0.58 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2orl h GLU 61 CO 0.31 -0.27 -0.01 -0.97 -1.18 0.00 0.00 179.01 176.89 2orl h ASN 62 N -0.98 0.02 -0.70 1.04 -1.24 -1.99 -3.31 115.58 108.43 2orl h ASN 62 Ca -0.06 -0.45 0.14 0.00 0.71 0.00 0.00 56.30 56.63 2orl h ASN 62 Cb 0.57 -0.01 -0.09 0.00 0.73 0.00 0.00 38.32 39.52 2orl h ASN 62 CO 0.10 0.47 0.21 -1.13 -1.29 0.00 0.00 177.43 175.80 2orl h ASN 63 N -0.43 0.13 -0.99 1.15 -0.73 -1.92 -1.83 115.58 110.96 2orl h ASN 63 Ca 0.00 0.12 0.16 0.00 1.87 0.00 0.00 56.30 58.45 2orl h ASN 63 Cb 0.47 0.13 -0.09 0.00 0.27 0.00 0.00 38.32 39.10 2orl h ASN 63 CO 0.00 0.04 0.62 -0.03 -0.37 0.00 0.00 177.43 177.69 2orl h MET 64 N 0.34 0.82 -0.51 6.67 4.05 -1.58 -1.40 114.93 123.33 2orl h MET 64 Ca 0.38 -0.05 -0.12 0.00 -0.28 0.00 0.00 59.70 59.63 2orl h MET 64 Cb 0.59 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 2orl h MET 64 CO -0.43 0.54 -0.14 0.77 0.23 0.00 0.00 176.91 177.89 2orl h SER 65 N 0.85 1.00 -0.77 1.39 0.02 -1.46 0.57 113.55 115.14 2orl h SER 65 Ca 0.53 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 2orl h SER 65 Cb 0.72 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.94 2orl h SER 65 CO -0.31 1.13 0.48 -0.08 -1.14 0.00 0.00 176.83 176.91 2orl h GLU 66 N 0.87 0.91 0.03 3.45 4.81 -1.09 -2.80 114.58 120.76 2orl h GLU 66 Ca 0.13 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 59.07 2orl h GLU 66 Cb 0.70 -0.21 0.02 0.00 0.63 0.00 0.00 28.75 29.90 2orl h GLU 66 CO 0.05 0.60 -0.95 -0.92 -0.73 0.00 0.00 179.01 177.07 2orl h TYR 67 N 0.94 0.90 -0.90 0.92 3.20 -1.28 -3.34 116.97 117.41 2orl h TYR 67 Ca 0.31 -0.51 0.03 0.00 3.14 0.00 0.00 58.73 61.70 2orl h TYR 67 Cb 0.03 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.15 2orl h TYR 67 CO -0.03 1.35 0.59 -0.07 -1.64 0.00 0.00 178.16 178.35 2orl h LEU 68 N 0.20 0.99 -1.75 2.82 3.38 -0.74 -1.77 115.31 118.43 2orl h LEU 68 Ca -0.13 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.91 2orl h LEU 68 Cb 1.63 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 2orl h LEU 68 CO 0.19 0.69 0.32 0.74 0.09 0.00 0.00 178.44 180.47 2orl h THR 69 N 1.16 0.91 -0.76 0.22 2.02 -1.59 -1.54 112.91 113.34 2orl h THR 69 Ca 0.35 -0.10 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 2orl h THR 69 Cb -0.03 0.59 -0.18 0.00 -1.74 0.00 0.00 68.15 66.79 2orl h THR 69 CO -0.10 0.05 -0.36 0.21 0.37 0.00 0.00 175.52 175.70 2orl s ASN 70 N -6.43 -1.16 0.18 4.18 3.84 -0.94 -4.09 114.94 110.52 2orl s ASN 70 Ca -0.07 -0.78 -0.12 0.00 0.21 0.00 0.00 52.86 52.10 2orl s ASN 70 Cb 0.19 1.49 0.10 0.00 -0.55 0.00 0.00 41.25 42.47 2orl s ASN 70 CO 0.73 -0.11 1.80 1.55 -2.79 0.00 0.00 177.10 178.28 2orl h PRO 71 N 6.08 0.87 -0.39 0.43 0.13 -1.55 -2.77 132.00 134.81 2orl h PRO 71 Ca 0.03 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2orl h PRO 71 Cb 1.18 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.12 2orl h PRO 71 CO 0.03 0.66 0.26 0.87 -0.23 0.00 0.00 178.00 179.58 2orl h LYS 72 N 0.85 0.51 -0.08 0.86 1.79 -1.81 -0.69 116.57 117.99 2orl h LYS 72 Ca 0.22 -0.03 -0.22 0.00 -2.18 0.00 0.00 60.65 58.44 2orl h LYS 72 Cb 0.04 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 30.58 2orl h LYS 72 CO -0.04 0.34 -0.83 -0.22 -1.08 0.00 0.00 179.45 177.62 2orl h LYS 73 N 0.53 0.59 -0.21 3.15 1.63 -1.89 -3.23 116.57 117.13 2orl h LYS 73 Ca 0.14 -0.52 -0.21 0.00 -0.85 0.00 0.00 60.65 59.21 2orl h LYS 73 Cb -0.06 0.12 0.01 0.00 -0.60 0.00 0.00 32.23 31.70 2orl h LYS 73 CO -0.03 1.14 -0.68 -0.92 -3.45 0.00 0.00 179.45 175.51 2orl h TYR 74 N 0.38 1.09 -3.58 1.91 3.20 -1.24 -3.40 116.97 115.33 2orl h TYR 74 Ca -0.06 -0.44 -0.64 0.00 3.14 0.00 0.00 58.73 60.72 2orl h TYR 74 Cb 1.44 -0.18 -0.40 0.00 1.54 0.00 0.00 36.73 39.13 2orl h TYR 74 CO 0.07 1.28 -0.73 0.42 -1.64 0.00 0.00 178.16 177.56 2orl s ILE 75 N -3.91 1.98 -0.68 1.81 1.09 -0.30 -5.07 121.20 116.13 2orl s ILE 75 Ca -0.11 -2.14 -0.26 0.00 -1.10 0.00 0.00 60.65 57.04 2orl s ILE 75 Cb 0.09 -2.47 -0.06 0.00 -1.06 0.00 0.00 42.46 38.96 2orl s ILE 75 CO 0.90 -0.61 2.11 -2.16 -0.10 0.00 0.00 174.94 175.08 2orl s PRO 76 N 1.05 2.31 0.00 2.79 0.04 -1.22 -2.17 135.00 137.80 2orl s PRO 76 Ca 0.11 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.74 2orl s PRO 76 Cb -0.19 -4.65 0.00 0.00 0.04 0.00 0.00 34.50 29.70 2orl s PRO 76 CO -0.12 -3.30 0.00 0.41 0.04 0.00 0.00 177.00 174.03 2orl n GLY 77 N 6.22 0.90 3.55 0.56 0.00 -1.26 -4.71 105.19 110.45 2orl n GLY 77 Ca 0.33 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 2.64 0.52 2.61 5.66 -0.92 -4.93 114.28 119.86 2orl n THR 78 Ca 0.00 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.63 2orl n THR 78 Cb 0.00 -0.94 0.40 0.00 -1.55 0.00 0.00 70.33 68.24 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 0.79 0.00 -6.38 1.09 1.57 -1.98 -3.44 116.57 108.23 2orl h LYS 79 Ca -0.45 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.79 2orl h LYS 79 Cb 1.37 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.61 2orl h LYS 79 CO 0.52 0.00 1.08 1.41 -0.57 0.00 0.00 179.45 181.89 2orl s MET 80 N -3.17 3.23 -0.17 3.15 1.75 -1.26 -4.86 119.30 117.96 2orl s MET 80 Ca 0.09 0.11 0.14 0.00 -1.25 0.00 0.00 55.69 54.77 2orl s MET 80 Cb 0.11 -4.15 0.71 0.00 2.84 0.00 0.00 34.83 34.33 2orl s MET 80 CO 0.57 -2.06 1.59 0.00 -0.65 0.00 0.00 175.02 174.47 2orl n ALA 81 N 9.57 3.50 0.21 4.11 0.00 -1.26 -4.60 120.51 132.05 2orl n ALA 81 Ca 0.08 -1.61 0.17 0.00 0.00 0.00 0.00 53.44 52.09 2orl n ALA 81 Cb 0.49 -1.08 0.75 0.00 0.00 0.00 0.00 19.45 19.61 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 3.61 0.00 0.00 0.00 3.57 -1.96 -3.46 116.94 118.70 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 1.66 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.40 2orl h PHE 82 CO 0.88 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 177.37 2orl n GLY 83 N -1.36 2.86 0.28 2.40 0.00 -1.26 -4.92 105.19 103.19 2orl n GLY 83 Ca 0.03 -0.47 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 -1.43 3.56 -0.02 0.00 -1.26 -4.82 105.19 101.21 2orl n GLY 84 Ca 0.00 -0.96 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 0.26 0.99 1.43 -0.58 -4.80 118.68 119.26 2orl s LEU 85 Ca 0.00 0.05 0.13 0.00 -1.03 0.00 0.00 54.13 53.28 2orl s LEU 85 Cb 0.00 -2.71 0.24 0.00 0.03 0.00 0.00 46.19 43.74 2orl s LEU 85 CO 0.00 -1.97 1.52 0.11 0.23 0.00 0.00 176.35 176.24 2orl h LYS 86 N 11.96 0.00 -6.56 1.70 1.79 -1.86 -3.30 116.57 120.29 2orl h LYS 86 Ca -0.27 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.63 2orl h LYS 86 Cb 1.10 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.68 2orl h LYS 86 CO 1.23 0.62 0.87 0.15 -1.08 0.00 0.00 179.45 181.24 2orl s LYS 87 N -3.23 3.79 0.14 3.15 1.02 -1.26 -4.96 119.74 118.39 2orl s LYS 87 Ca 0.01 0.65 -0.18 0.00 0.02 0.00 0.00 55.97 56.47 2orl s LYS 87 Cb 0.10 -3.87 -0.02 0.00 -0.52 0.00 0.00 37.83 33.53 2orl s LYS 87 CO 0.75 -1.25 1.79 1.49 -0.92 0.00 0.00 175.35 177.21 2orl h GLU 88 N 8.93 0.35 -0.99 1.68 4.81 -1.99 -2.81 114.58 124.56 2orl h GLU 88 Ca -0.23 -0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.09 2orl h GLU 88 Cb 1.06 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.28 2orl h GLU 88 CO 1.09 0.23 0.62 0.87 -0.73 0.00 0.00 179.01 181.10 2orl h LYS 89 N 0.36 0.97 -0.45 1.92 1.79 -1.93 -0.18 116.57 119.06 2orl h LYS 89 Ca 0.11 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 2orl h LYS 89 Cb -0.01 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.40 2orl h LYS 89 CO -0.05 0.64 0.20 -0.44 -1.08 0.00 0.00 179.45 178.73 2orl h ASP 90 N 1.00 0.60 0.09 0.86 5.19 -1.95 -3.04 116.42 119.18 2orl h ASP 90 Ca 0.48 -0.15 -0.19 0.00 -0.62 0.00 0.00 57.03 56.56 2orl h ASP 90 Cb 0.43 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.79 2orl h ASP 90 CO -0.25 0.58 -0.70 0.03 -3.12 0.00 0.00 179.24 175.78 2orl h ARG 91 N 0.58 0.55 -0.72 3.56 3.08 -1.09 -3.21 114.38 117.12 2orl h ARG 91 Ca 0.15 -0.42 0.12 0.00 0.07 0.00 0.00 59.98 59.90 2orl h ARG 91 Cb 0.15 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.15 2orl h ARG 91 CO -0.02 1.04 -0.36 -0.91 -1.07 0.00 0.00 179.97 178.65 2orl h ASN 92 N 0.38 -1.29 -0.61 7.04 2.35 -0.94 -0.32 115.58 122.19 2orl h ASN 92 Ca -0.03 0.26 -0.09 0.00 -0.55 0.00 0.00 56.30 55.89 2orl h ASN 92 Cb 1.28 0.65 -0.02 0.00 0.05 0.00 0.00 38.32 40.27 2orl h ASN 92 CO 0.13 -0.30 0.04 -0.78 -1.65 0.00 0.00 177.43 174.86 2orl h ASP 93 N -0.12 1.03 -0.89 5.81 1.82 -1.65 -3.09 116.42 119.32 2orl h ASP 93 Ca 0.26 -0.29 0.09 0.00 -0.39 0.00 0.00 57.03 56.70 2orl h ASP 93 Cb 0.56 -0.27 -0.06 0.00 0.68 0.00 0.00 39.33 40.24 2orl h ASP 93 CO -0.78 1.06 0.58 -0.07 -1.61 0.00 0.00 179.24 178.42 2orl h LEU 94 N 0.96 0.83 -0.13 2.28 3.38 -1.13 -2.46 115.31 119.03 2orl h LEU 94 Ca 0.18 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2orl h LEU 94 Cb 0.51 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2orl h LEU 94 CO 0.02 0.50 0.06 0.40 0.09 0.00 0.00 178.44 179.51 2orl h ILE 95 N 0.93 1.14 -0.98 1.22 2.04 -1.05 -2.56 117.51 118.24 2orl h ILE 95 Ca 0.40 -0.42 0.11 0.00 1.00 0.00 0.00 64.86 65.95 2orl h ILE 95 Cb 0.34 1.17 -0.08 0.00 -0.74 0.00 0.00 36.82 37.52 2orl h ILE 95 CO -0.17 0.13 0.62 0.74 0.00 0.00 0.00 178.15 179.48 2orl h THR 96 N 0.07 0.96 0.27 -0.27 2.02 -1.45 0.40 112.91 114.90 2orl h THR 96 Ca 0.05 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 2orl h THR 96 Cb 0.15 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.44 2orl h THR 96 CO -0.00 0.18 -0.13 0.22 0.37 0.00 0.00 175.52 176.16 2orl h TYR 97 N 1.00 -0.33 -0.67 3.16 3.20 -1.25 -0.11 116.97 121.97 2orl h TYR 97 Ca 0.47 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.30 2orl h TYR 97 Cb 0.43 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 2orl h TYR 97 CO -0.00 -0.05 0.30 1.25 -1.64 0.00 0.00 178.16 178.01 2orl h LEU 98 N -0.59 0.89 -1.02 2.82 7.12 -1.11 -2.61 115.31 120.82 2orl h LEU 98 Ca -0.04 -0.15 0.04 0.00 0.13 0.00 0.00 57.88 57.86 2orl h LEU 98 Cb 0.43 -0.23 -0.06 0.00 -0.53 0.00 0.00 40.66 40.27 2orl h LEU 98 CO 0.06 0.80 0.65 0.50 -0.13 0.00 0.00 178.44 180.32 2orl h LYS 99 N 0.93 1.22 -0.10 1.25 3.64 -0.20 -1.84 116.57 121.48 2orl h LYS 99 Ca 0.23 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.41 2orl h LYS 99 Cb 0.16 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 2orl h LYS 99 CO -0.02 0.81 -0.46 -0.22 -2.27 0.00 0.00 179.45 177.28 2orl h LYS 100 N 1.26 0.25 -0.05 1.90 1.63 -0.65 0.33 116.57 121.24 2orl h LYS 100 Ca 0.40 -0.13 -0.21 0.00 -0.85 0.00 0.00 60.65 59.86 2orl h LYS 100 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.64 2orl h LYS 100 CO -0.12 0.66 -0.84 0.00 -3.45 0.00 0.00 179.45 175.70 2orl h ALA 101 N 1.32 0.45 0.15 5.00 0.00 -1.20 -3.32 119.26 121.66 2orl h ALA 101 Ca 0.01 -0.66 -0.34 0.00 0.00 0.00 0.00 54.91 53.93 2orl h ALA 101 Cb 0.90 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2orl h ALA 101 CO 0.07 0.78 -1.74 1.15 0.00 0.00 0.00 179.25 179.51 2orl h THR 102 N 0.28 0.93 0.00 0.00 2.02 -1.31 -3.47 112.91 111.36 2orl h THR 102 Ca -0.06 -2.56 0.00 0.00 0.77 0.00 0.00 66.41 64.56 2orl h THR 102 Cb 1.45 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 70.56 2orl h THR 102 CO 0.15 0.84 0.00 -1.84 0.37 0.00 0.00 175.52 175.04