#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 0.49 -1.63 -2.82 2.13 -1.26 -5.11 120.64 112.45 2orl n GLU -4 Ca 0.00 -2.40 -0.43 0.00 0.66 0.00 0.00 57.16 54.99 2orl n GLU -4 Cb 0.00 -0.48 -0.01 0.00 0.27 0.00 0.00 31.44 31.22 2orl n GLU -4 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2orl n PHE -3 N 0.05 1.56 -3.73 4.31 7.35 -1.26 -4.92 117.46 120.82 2orl n PHE -3 Ca 0.10 0.62 -0.13 0.00 -0.76 0.00 0.00 57.45 57.28 2orl n PHE -3 Cb 1.02 -2.30 -0.14 0.00 0.35 0.00 0.00 39.48 38.41 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 -1.76 0.13 0.35 -4.13 2.20 -1.26 -5.10 119.74 110.16 2orl s LYS -2 Ca 0.59 0.46 -0.26 0.00 -0.36 0.00 0.00 55.97 56.40 2orl s LYS -2 Cb -0.63 -0.16 -0.13 0.00 -1.51 0.00 0.00 37.83 35.40 2orl s LYS -2 CO 0.60 -0.18 0.82 0.00 -0.36 0.00 0.00 175.35 176.22 2orl n ALA -1 N 4.37 -0.81 -2.93 3.13 0.00 -1.26 -4.39 120.51 118.62 2orl n ALA -1 Ca -0.23 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2orl n ALA -1 Cb 0.52 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 18.05 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 1.46 4.95 3.59 0.00 0.00 -1.26 -4.85 105.19 109.09 2orl n GLY 1 Ca 0.11 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.35 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 0.87 -0.76 0.38 1.61 0.01 -1.26 -5.03 113.70 109.52 2orl s SER 2 Ca 0.00 1.39 0.18 0.00 1.31 0.00 0.00 55.95 58.83 2orl s SER 2 Cb 0.00 1.36 1.11 0.00 0.21 0.00 0.00 66.02 68.70 2orl s SER 2 CO 0.00 -0.23 1.73 0.00 0.41 0.00 0.00 173.24 175.15 2orl h ALA 3 N 5.69 2.20 0.00 1.44 0.00 -1.89 -0.19 119.26 126.50 2orl h ALA 3 Ca -0.29 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2orl h ALA 3 Cb 1.18 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2orl h ALA 3 CO 0.11 -0.67 0.00 1.17 0.00 0.00 0.00 179.25 179.86 2orl n LYS 4 N -4.72 0.88 -0.02 0.00 4.81 -1.26 -2.71 118.16 115.14 2orl n LYS 4 Ca 0.28 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.67 2orl n LYS 4 Cb 0.94 -1.37 -0.02 0.00 0.02 0.00 0.00 35.03 34.60 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 -0.87 0.10 0.26 1.64 5.02 -0.12 -4.65 118.16 119.54 2orl n LYS 5 Ca 0.16 0.04 0.09 0.00 -2.02 0.00 0.00 58.31 56.58 2orl n LYS 5 Cb 0.07 -0.69 0.66 0.00 -0.02 0.00 0.00 35.03 35.05 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 -0.15 0.00 0.88 0.72 0.00 -1.57 -3.00 103.07 99.95 2orl h GLY 6 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.22 2orl h GLY 6 CO -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.45 2orl h ALA 7 N 1.92 0.04 -1.02 3.60 0.00 -1.77 -2.56 119.26 119.46 2orl h ALA 7 Ca -0.00 0.02 0.26 0.00 0.00 0.00 0.00 54.91 55.19 2orl h ALA 7 Cb 0.15 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 2orl h ALA 7 CO 0.01 -0.50 0.67 1.79 0.00 0.00 0.00 179.25 181.22 2orl h THR 8 N -0.00 0.55 0.00 0.00 1.35 -1.79 -1.10 112.91 111.92 2orl h THR 8 Ca 0.03 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2orl h THR 8 Cb 0.05 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 66.62 2orl h THR 8 CO -0.06 0.07 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 2orl n LEU 9 N -4.56 0.95 -0.38 3.87 7.99 -0.98 -3.69 117.00 120.20 2orl n LEU 9 Ca 0.24 0.33 0.35 0.00 -0.01 0.00 0.00 56.01 56.93 2orl n LEU 9 Cb 0.87 0.00 0.63 0.00 -0.11 0.00 0.00 43.42 44.81 2orl n LEU 9 CO 0.28 0.00 1.13 0.15 -1.51 0.00 0.00 177.39 177.44 2orl h PHE 10 N 0.00 0.70 0.00 -1.77 3.04 -1.53 0.10 116.94 117.49 2orl h PHE 10 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2orl h PHE 10 Cb 0.00 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.35 2orl h PHE 10 CO 0.00 -0.40 0.00 -0.22 -2.02 0.00 0.00 178.31 175.67 2orl h LYS 11 N 0.01 0.00 0.00 1.11 3.64 -1.28 0.40 116.57 120.45 2orl h LYS 11 Ca 0.86 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 60.11 2orl h LYS 11 Cb 2.49 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 34.01 2orl h LYS 11 CO -0.65 0.00 -0.90 -2.37 -2.27 0.00 0.00 179.45 173.26 2orl n THR 12 N -2.80 0.15 0.00 1.00 5.66 0.34 -4.48 114.28 114.16 2orl n THR 12 Ca -0.02 -0.97 0.00 0.00 -3.05 0.00 0.00 64.05 60.01 2orl n THR 12 Cb 0.07 0.82 0.00 0.00 -1.55 0.00 0.00 70.33 69.67 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 0.51 0.00 1.09 5.12 -1.00 -4.97 116.66 117.70 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 1.04 -0.33 0.00 0.00 -1.16 0.00 0.00 32.46 32.01 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 0.66 -1.39 0.00 5.85 -0.63 -1.31 115.31 118.49 2orl h LEU 15 Ca 0.00 0.09 0.42 0.00 0.84 0.00 0.00 57.88 59.23 2orl h LEU 15 Cb 0.68 -0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.55 2orl h LEU 15 CO 0.00 0.22 0.83 0.06 -0.34 0.00 0.00 178.44 179.21 2orl h GLN 16 N 0.64 0.11 0.00 1.25 3.07 -1.83 -3.22 115.11 115.13 2orl h GLN 16 Ca 0.56 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 59.30 2orl h GLN 16 Cb 1.05 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 28.59 2orl h GLN 16 CO -0.34 0.07 -0.79 0.00 0.09 0.00 0.00 178.83 177.86 2orl s HIS 18 N -1.79 1.58 -0.07 0.00 3.76 -0.53 -1.67 115.29 116.58 2orl s HIS 18 Ca 0.00 -0.49 -0.01 0.00 -0.15 0.00 0.00 55.06 54.41 2orl s HIS 18 Cb 0.00 -2.58 0.03 0.00 1.11 0.00 0.00 32.58 31.13 2orl s HIS 18 CO 0.00 -1.37 -0.01 0.95 -0.85 0.00 0.00 174.74 173.46 2orl s THR 19 N -2.87 0.44 0.08 1.30 -4.23 -1.26 -4.55 115.64 104.55 2orl s THR 19 Ca 0.63 0.04 0.14 0.00 -1.18 0.00 0.00 61.69 61.33 2orl s THR 19 Cb -0.06 -0.56 0.02 0.00 1.34 0.00 0.00 72.50 73.25 2orl s THR 19 CO 0.41 0.25 1.54 1.62 -0.54 0.00 0.00 174.62 177.91 2orl h VAL 20 N 6.28 1.12 -5.03 2.29 3.04 -1.96 -2.55 116.25 119.43 2orl h VAL 20 Ca -0.25 -2.19 -0.45 0.00 -1.01 0.00 0.00 66.70 62.80 2orl h VAL 20 Cb 1.13 2.29 -0.07 0.00 -2.01 0.00 0.00 31.29 32.63 2orl h VAL 20 CO 0.32 0.56 -0.28 -1.84 -1.01 0.00 0.00 177.57 175.32 2orl n GLU 21 N -3.44 1.01 -0.79 4.17 -0.00 -1.26 -3.80 120.64 116.53 2orl n GLU 21 Ca 0.00 -2.61 0.08 0.00 -0.00 0.00 0.00 57.16 54.63 2orl n GLU 21 Cb 0.68 0.52 0.38 0.00 -0.00 0.00 0.00 31.44 33.01 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 -1.15 4.46 -0.00 3.44 5.02 -1.26 -4.44 118.16 124.22 2orl n LYS 22 Ca -0.09 -3.08 -0.04 0.00 -2.02 0.00 0.00 58.31 53.08 2orl n LYS 22 Cb 0.46 -2.15 -0.11 0.00 -0.02 0.00 0.00 35.03 33.21 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 0.51 -1.10 3.70 0.72 0.00 -1.26 -4.89 105.19 102.86 2orl n GLY 23 Ca 0.27 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -4.96 2.38 0.83 -0.02 0.00 -1.26 -5.06 107.32 99.22 2orl s GLY 24 Ca -0.04 0.01 -0.12 0.00 0.00 0.00 0.00 44.72 44.56 2orl s GLY 24 CO 0.82 1.28 1.17 2.56 0.00 0.00 0.00 173.10 178.93 2orl s PRO 25 N 1.29 1.57 -0.18 2.90 0.04 -1.26 -4.86 135.00 134.50 2orl s PRO 25 Ca 0.35 1.62 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 2orl s PRO 25 Cb -0.17 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 2orl s PRO 25 CO 0.15 -2.24 2.16 0.72 0.04 0.00 0.00 177.00 177.83 2orl n HIS 26 N -3.54 2.05 0.00 0.56 8.25 -1.26 -4.92 115.22 116.35 2orl n HIS 26 Ca 0.12 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2orl n HIS 26 Cb 0.51 -2.72 0.00 0.00 1.12 0.00 0.00 29.99 28.90 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 8.36 2.62 0.26 -0.41 4.81 -1.26 -4.89 118.16 127.65 2orl n LYS 27 Ca 0.29 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.87 2orl n LYS 27 Cb 0.41 0.00 0.84 0.00 0.02 0.00 0.00 35.03 36.30 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 0.61 -2.86 3.15 2.07 -1.83 -3.43 116.25 113.97 2orl h VAL 28 Ca 0.00 0.00 -0.45 0.00 0.82 0.00 0.00 66.70 67.07 2orl h VAL 28 Cb 0.00 0.96 -0.14 0.00 -1.52 0.00 0.00 31.29 30.59 2orl h VAL 28 CO 0.00 0.00 -0.72 -0.83 0.02 0.00 0.00 177.57 176.04 2orl s GLY 29 N -4.08 1.49 1.02 2.17 0.00 -0.67 -4.99 107.32 102.26 2orl s GLY 29 Ca -0.05 -1.70 -0.13 0.00 0.00 0.00 0.00 44.72 42.84 2orl s GLY 29 CO 0.57 -1.77 1.10 2.56 0.00 0.00 0.00 173.10 175.57 2orl s PRO 30 N -3.67 0.29 -0.06 2.90 0.04 -1.26 -4.56 135.00 128.68 2orl s PRO 30 Ca 0.24 0.43 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 2orl s PRO 30 Cb 0.00 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 2orl s PRO 30 CO 0.08 -2.81 0.96 1.21 0.04 0.00 0.00 177.00 176.48 2orl s ASN 31 N -3.54 7.26 0.26 6.66 3.84 -1.26 -4.12 114.94 124.04 2orl s ASN 31 Ca 0.66 1.53 0.22 0.00 0.21 0.00 0.00 52.86 55.48 2orl s ASN 31 Cb -0.18 -2.54 0.08 0.00 -0.55 0.00 0.00 41.25 38.06 2orl s ASN 31 CO 0.57 -0.34 1.19 -0.07 -2.79 0.00 0.00 177.10 175.66 2orl h LEU 32 N 7.42 0.00 -8.45 3.21 3.38 -1.77 -3.46 115.31 115.64 2orl h LEU 32 Ca -0.36 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.37 2orl h LEU 32 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2orl h LEU 32 CO 0.80 0.06 0.81 -2.28 0.09 0.00 0.00 178.44 177.93 2orl s HIS 33 N -3.28 1.18 0.00 1.13 2.46 -1.25 -1.98 115.29 113.56 2orl s HIS 33 Ca 0.01 1.66 0.00 0.00 0.47 0.00 0.00 55.06 57.21 2orl s HIS 33 Cb 0.08 -3.57 0.00 0.00 -0.13 0.00 0.00 32.58 28.96 2orl s HIS 33 CO 0.76 -2.02 0.00 0.41 -2.47 0.00 0.00 174.74 171.42 2orl n GLY 34 N 6.42 1.44 0.13 1.59 0.00 -1.26 -4.92 105.19 108.58 2orl n GLY 34 Ca 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.36 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 1.50 -2.10 -0.61 3.07 -1.72 -3.44 117.51 114.20 2orl h ILE 35 Ca 0.00 -2.56 -0.58 0.00 1.55 0.00 0.00 64.86 63.27 2orl h ILE 35 Cb 0.00 2.41 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 2orl h ILE 35 CO 0.00 0.74 1.43 -0.36 -1.05 0.00 0.00 178.15 178.91 2orl s PHE 36 N -3.27 1.22 0.00 0.16 0.08 -1.26 -1.59 117.98 113.31 2orl s PHE 36 Ca -0.02 0.33 0.00 0.00 0.12 0.00 0.00 56.93 57.36 2orl s PHE 36 Cb 0.11 -4.00 0.00 0.00 -0.57 0.00 0.00 43.02 38.56 2orl s PHE 36 CO 0.82 -4.35 0.00 0.41 -0.10 0.00 0.00 175.22 171.99 2orl n GLY 37 N 5.48 0.69 3.69 4.36 0.00 -0.74 -5.06 105.19 113.62 2orl n GLY 37 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.60 2.14 0.50 1.61 0.52 -0.62 -4.91 118.95 117.59 2orl s ARG 38 Ca 0.00 -1.87 -0.03 0.00 -0.52 0.00 0.00 55.73 53.31 2orl s ARG 38 Cb 0.00 -1.91 -0.01 0.00 0.52 0.00 0.00 34.95 33.56 2orl s ARG 38 CO 0.00 -0.04 0.78 -1.01 0.02 0.00 0.00 175.30 175.04 2orl s HIS 39 N -2.60 3.33 0.32 -0.53 3.76 -1.26 -1.06 115.29 117.26 2orl s HIS 39 Ca 0.38 0.52 -0.29 0.00 -0.15 0.00 0.00 55.06 55.53 2orl s HIS 39 Cb 0.04 -2.45 -0.11 0.00 1.11 0.00 0.00 32.58 31.18 2orl s HIS 39 CO 0.21 -0.49 1.49 -1.12 -0.85 0.00 0.00 174.74 173.98 2orl s SER 40 N -4.21 6.47 0.00 1.40 0.01 0.19 -3.84 113.70 113.71 2orl s SER 40 Ca 0.50 2.90 0.00 0.00 1.31 0.00 0.00 55.95 60.66 2orl s SER 40 Cb -0.10 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2orl s SER 40 CO 0.42 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.87 2orl n GLY 41 N 1.35 0.85 0.55 3.44 0.00 -1.26 -4.37 105.19 105.74 2orl n GLY 41 Ca 0.04 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.47 2.28 -1.68 1.61 6.02 -1.25 -4.94 117.38 118.96 2orl n GLN 42 Ca 0.00 -2.71 -0.45 0.00 -0.01 0.00 0.00 57.00 53.83 2orl n GLN 42 Cb 0.37 -1.69 -0.04 0.00 1.02 0.00 0.00 30.24 29.91 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 -0.85 1.60 -1.47 -1.58 0.00 -1.26 -4.87 120.51 112.08 2orl n ALA 43 Ca 0.19 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.63 2orl n ALA 43 Cb 0.78 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 2orl n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2orl n GLU 44 N 4.00 1.86 0.00 0.00 4.71 -1.26 -3.11 120.64 126.83 2orl n GLU 44 Ca 0.17 -2.16 0.00 0.00 -0.01 0.00 0.00 57.16 55.17 2orl n GLU 44 Cb 0.30 -3.14 0.00 0.00 -1.01 0.00 0.00 31.44 27.60 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 4.69 1.97 2.92 0.62 0.00 -1.26 -5.04 105.19 109.08 2orl n GLY 45 Ca 0.49 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.38 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 0.22 0.09 1.61 6.14 -1.18 -4.99 117.35 117.25 2orl s TYR 46 Ca 0.00 -0.08 -0.11 0.00 0.64 0.00 0.00 57.07 57.51 2orl s TYR 46 Cb 0.00 -0.14 -0.06 0.00 0.42 0.00 0.00 41.96 42.18 2orl s TYR 46 CO 0.00 -0.02 0.44 -1.54 0.64 0.00 0.00 175.55 175.07 2orl s SER 47 N -0.19 6.70 0.33 4.32 1.04 -1.26 -4.52 113.70 120.11 2orl s SER 47 Ca -0.00 0.87 0.08 0.00 0.48 0.00 0.00 55.95 57.38 2orl s SER 47 Cb -0.02 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 2orl s SER 47 CO -0.00 0.16 0.11 -0.31 0.98 0.00 0.00 173.24 174.19 2orl s TYR 48 N -1.39 2.70 0.85 5.02 1.51 -1.26 -5.02 117.35 119.76 2orl s TYR 48 Ca 0.34 -0.36 -0.12 0.00 -1.01 0.00 0.00 57.07 55.92 2orl s TYR 48 Cb -0.14 -1.56 0.10 0.00 -0.11 0.00 0.00 41.96 40.25 2orl s TYR 48 CO 0.18 0.39 1.14 0.95 -1.11 0.00 0.00 175.55 177.10 2orl s THR 49 N -2.41 2.31 0.42 -0.71 -4.23 -1.26 -4.91 115.64 104.85 2orl s THR 49 Ca 0.36 0.10 0.11 0.00 -1.18 0.00 0.00 61.69 61.09 2orl s THR 49 Cb -0.03 -2.92 0.31 0.00 1.34 0.00 0.00 72.50 71.20 2orl s THR 49 CO 0.22 -0.13 1.99 -0.78 -0.54 0.00 0.00 174.62 175.37 2orl h ASP 50 N -1.27 0.44 0.51 3.99 3.58 -1.95 -2.82 116.42 118.90 2orl h ASP 50 Ca -0.49 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 56.67 2orl h ASP 50 Cb 1.31 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.26 2orl h ASP 50 CO 0.62 0.28 -1.47 0.00 -2.88 0.00 0.00 179.24 175.79 2orl h ALA 51 N 1.69 0.29 -0.29 -0.78 0.00 -1.93 -3.26 119.26 114.97 2orl h ALA 51 Ca 0.27 -1.09 -0.17 0.00 0.00 0.00 0.00 54.91 53.92 2orl h ALA 51 Cb 0.39 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2orl h ALA 51 CO -0.08 1.15 -0.49 -0.97 0.00 0.00 0.00 179.25 178.87 2orl h ASN 52 N 0.06 0.86 0.10 0.00 -0.73 -1.87 -3.02 115.58 110.97 2orl h ASN 52 Ca -0.22 -0.43 -0.00 0.00 1.87 0.00 0.00 56.30 57.51 2orl h ASN 52 Cb 1.99 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 40.34 2orl h ASN 52 CO 0.16 1.20 -0.05 0.40 -0.37 0.00 0.00 177.43 178.77 2orl h ILE 53 N 0.62 0.00 -0.29 2.57 2.04 -1.68 -2.83 117.51 117.94 2orl h ILE 53 Ca 0.03 -0.05 0.09 0.00 1.00 0.00 0.00 64.86 65.93 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 0.11 0.00 0.91 0.29 0.00 0.00 0.00 178.15 179.46 2orl n LYS 54 N -2.48 0.02 0.11 2.37 5.02 -1.23 -0.77 118.16 121.20 2orl n LYS 54 Ca -0.02 0.83 -0.18 0.00 -2.02 0.00 0.00 58.31 56.92 2orl n LYS 54 Cb 0.05 -2.17 -0.14 0.00 -0.02 0.00 0.00 35.03 32.74 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 0.32 -5.31 1.97 1.63 -1.36 -3.48 116.57 110.34 2orl h LYS 55 Ca 0.14 -0.55 -0.29 0.00 -0.85 0.00 0.00 60.65 59.10 2orl h LYS 55 Cb 1.96 0.20 -0.15 0.00 -0.60 0.00 0.00 32.23 33.65 2orl h LYS 55 CO -0.00 1.25 -0.43 0.09 -3.45 0.00 0.00 179.45 176.91 2orl n ASN 56 N -3.56 -0.38 -4.76 4.20 3.02 0.05 -4.87 115.26 108.97 2orl n ASN 56 Ca -0.11 -0.58 -0.41 0.00 -0.03 0.00 0.00 54.58 53.45 2orl n ASN 56 Cb 1.04 -0.73 -0.02 0.00 -0.61 0.00 0.00 39.78 39.45 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 -2.62 2.86 -0.73 2.41 0.11 -1.26 -4.25 120.40 116.92 2orl s VAL 57 Ca 0.25 0.79 -0.26 0.00 -2.93 0.00 0.00 61.98 59.83 2orl s VAL 57 Cb -0.14 -3.50 0.04 0.00 -1.53 0.00 0.00 36.38 31.24 2orl s VAL 57 CO 0.47 0.16 1.21 -0.22 -3.33 0.00 0.00 175.10 173.39 2orl s LEU 58 N -1.06 3.46 -0.38 2.54 2.96 -1.26 -0.64 118.68 124.31 2orl s LEU 58 Ca 0.53 -0.61 -0.29 0.00 -0.22 0.00 0.00 54.13 53.53 2orl s LEU 58 Cb -0.39 -2.53 -0.08 0.00 0.50 0.00 0.00 46.19 43.69 2orl s LEU 58 CO 0.47 -1.73 2.31 0.79 -1.32 0.00 0.00 176.35 176.86 2orl n TRP 59 N 8.97 1.64 -4.35 5.38 5.03 -0.22 -4.91 117.44 128.98 2orl n TRP 59 Ca 0.03 0.06 -0.17 0.00 3.03 0.00 0.00 57.50 60.45 2orl n TRP 59 Cb 0.48 -2.64 -0.03 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 12.62 2.69 0.22 -0.99 2.03 -1.26 -1.79 116.55 130.06 2orl n ASP 60 Ca 0.37 -2.18 -0.12 0.00 0.52 0.00 0.00 54.79 53.37 2orl n ASP 60 Cb 0.41 0.17 -0.07 0.00 -0.72 0.00 0.00 41.12 40.92 2orl n ASP 60 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2orl h GLU 61 N 0.00 -0.58 -0.31 -0.67 4.57 -2.01 -2.71 114.58 112.88 2orl h GLU 61 Ca -0.22 0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 57.84 2orl h GLU 61 Cb 0.69 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 2orl h GLU 61 CO 0.37 -0.28 -0.41 -0.97 -1.18 0.00 0.00 179.01 176.54 2orl h ASN 62 N -1.02 0.89 -0.89 1.04 -0.73 -1.99 -3.27 115.58 109.61 2orl h ASN 62 Ca -0.06 -0.50 0.02 0.00 1.87 0.00 0.00 56.30 57.63 2orl h ASN 62 Cb 0.56 -0.25 -0.05 0.00 0.27 0.00 0.00 38.32 38.85 2orl h ASN 62 CO 0.10 1.22 0.59 -1.13 -0.37 0.00 0.00 177.43 177.83 2orl h ASN 63 N 0.59 0.99 -0.95 1.15 -0.73 -1.91 -2.71 115.58 112.01 2orl h ASN 63 Ca 0.03 -0.02 0.14 0.00 1.87 0.00 0.00 56.30 58.33 2orl h ASN 63 Cb 1.01 -0.23 -0.09 0.00 0.27 0.00 0.00 38.32 39.27 2orl h ASN 63 CO 0.10 0.70 0.57 -0.03 -0.37 0.00 0.00 177.43 178.39 2orl h MET 64 N 1.16 0.81 -0.46 6.67 4.05 -1.53 -1.56 114.93 124.08 2orl h MET 64 Ca 0.34 -0.05 -0.09 0.00 -0.28 0.00 0.00 59.70 59.62 2orl h MET 64 Cb -0.06 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.54 2orl h MET 64 CO -0.10 0.54 -0.09 0.77 0.23 0.00 0.00 176.91 178.26 2orl h SER 65 N 0.83 0.79 -0.14 1.39 0.02 -1.62 -2.04 113.55 112.79 2orl h SER 65 Ca 0.50 -0.23 0.05 0.00 -0.84 0.00 0.00 61.79 61.27 2orl h SER 65 Cb 0.61 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.88 2orl h SER 65 CO -0.31 0.91 -0.31 -0.08 -1.14 0.00 0.00 176.83 175.90 2orl h GLU 66 N 0.74 -0.36 -0.43 3.45 4.81 -1.17 -2.55 114.58 119.07 2orl h GLU 66 Ca 0.13 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.25 2orl h GLU 66 Cb 0.57 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2orl h GLU 66 CO 0.03 -0.24 -0.26 -0.92 -0.73 0.00 0.00 179.01 176.89 2orl h TYR 67 N -0.37 1.05 -0.90 0.92 3.20 -1.52 -3.25 116.97 116.10 2orl h TYR 67 Ca 0.10 -0.27 0.05 0.00 3.14 0.00 0.00 58.73 61.76 2orl h TYR 67 Cb 0.53 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.50 2orl h TYR 67 CO -0.40 1.06 0.59 -0.07 -1.64 0.00 0.00 178.16 177.70 2orl h LEU 68 N 0.77 0.93 -1.30 2.82 3.38 -0.98 -2.20 115.31 118.74 2orl h LEU 68 Ca 0.09 -0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.22 2orl h LEU 68 Cb 0.82 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 2orl h LEU 68 CO 0.07 0.62 0.59 0.74 0.09 0.00 0.00 178.44 180.54 2orl h THR 69 N 1.07 0.78 -0.82 0.22 2.02 -1.39 -0.97 112.91 113.82 2orl h THR 69 Ca 0.37 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.30 2orl h THR 69 Cb 0.11 0.08 -0.18 0.00 -1.74 0.00 0.00 68.15 66.43 2orl h THR 69 CO -0.13 0.12 -0.38 0.21 0.37 0.00 0.00 175.52 175.71 2orl s ASN 70 N -5.69 -1.26 0.45 4.18 3.84 -0.98 -4.10 114.94 111.37 2orl s ASN 70 Ca -0.10 -0.72 0.11 0.00 0.21 0.00 0.00 52.86 52.36 2orl s ASN 70 Cb 0.23 1.62 1.02 0.00 -0.55 0.00 0.00 41.25 43.56 2orl s ASN 70 CO 0.79 -0.13 2.07 1.55 -2.79 0.00 0.00 177.10 178.59 2orl h PRO 71 N 6.46 0.35 -0.19 0.43 0.13 -1.61 -2.19 132.00 135.39 2orl h PRO 71 Ca 0.03 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 65.01 2orl h PRO 71 Cb 1.19 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2orl h PRO 71 CO 0.05 0.23 -0.45 0.87 -0.23 0.00 0.00 178.00 178.47 2orl h LYS 72 N 0.36 0.47 -0.03 0.86 6.56 -1.85 -0.52 116.57 122.43 2orl h LYS 72 Ca 0.13 -0.26 -0.24 0.00 -1.06 0.00 0.00 60.65 59.23 2orl h LYS 72 Cb 0.08 0.01 0.02 0.00 -0.57 0.00 0.00 32.23 31.77 2orl h LYS 72 CO -0.03 0.83 -0.90 -0.22 -2.06 0.00 0.00 179.45 177.07 2orl h LYS 73 N 0.38 0.67 0.00 3.15 1.63 -1.80 -3.14 116.57 117.46 2orl h LYS 73 Ca 0.03 -0.68 -0.15 0.00 -0.85 0.00 0.00 60.65 59.00 2orl h LYS 73 Cb 0.94 0.18 0.01 0.00 -0.60 0.00 0.00 32.23 32.77 2orl h LYS 73 CO 0.08 1.27 -0.58 -0.92 -3.45 0.00 0.00 179.45 175.85 2orl h TYR 74 N 0.33 0.58 -3.31 1.91 3.20 -1.51 -3.40 116.97 114.77 2orl h TYR 74 Ca -0.10 -0.32 -0.64 0.00 3.14 0.00 0.00 58.73 60.81 2orl h TYR 74 Cb 1.56 -0.07 -0.41 0.00 1.54 0.00 0.00 36.73 39.35 2orl h TYR 74 CO 0.11 1.14 -0.62 0.42 -1.64 0.00 0.00 178.16 177.56 2orl s ILE 75 N -3.18 2.63 -0.28 1.81 1.01 -0.20 -5.05 121.20 117.94 2orl s ILE 75 Ca -0.13 -3.53 -0.29 0.00 0.00 0.00 0.00 60.65 56.70 2orl s ILE 75 Cb 0.03 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 2orl s ILE 75 CO 0.82 -0.85 1.77 -2.16 0.00 0.00 0.00 174.94 174.52 2orl s PRO 76 N -0.54 3.48 0.00 2.79 0.04 -1.18 -2.59 135.00 136.98 2orl s PRO 76 Ca 0.19 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.78 2orl s PRO 76 Cb -0.21 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.17 2orl s PRO 76 CO -0.04 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 175.73 2orl n GLY 77 N 5.22 0.84 3.76 0.56 0.00 -1.26 -4.69 105.19 109.62 2orl n GLY 77 Ca 0.22 0.00 -0.35 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 2.92 -1.04 2.61 -1.32 -1.07 -4.93 115.64 110.81 2orl s THR 78 Ca 0.00 0.57 0.21 0.00 -1.21 0.00 0.00 61.69 61.25 2orl s THR 78 Cb 0.00 -3.22 0.19 0.00 -1.51 0.00 0.00 72.50 67.96 2orl s THR 78 CO 0.00 -0.13 1.67 0.29 -2.21 0.00 0.00 174.62 174.24 2orl n LYS 79 N -1.47 0.03 -2.72 7.08 5.02 -1.26 -4.53 118.16 120.31 2orl n LYS 79 Ca 0.13 0.14 -0.43 0.00 -2.02 0.00 0.00 58.31 56.13 2orl n LYS 79 Cb 0.50 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.96 3.82 -0.07 1.97 1.75 -1.26 -4.81 119.30 117.74 2orl s MET 80 Ca 0.11 -1.82 0.07 0.00 -1.25 0.00 0.00 55.69 52.80 2orl s MET 80 Cb 0.14 -5.27 0.33 0.00 2.84 0.00 0.00 34.83 32.87 2orl s MET 80 CO 0.37 -2.05 1.11 0.00 -0.65 0.00 0.00 175.02 173.81 2orl n ALA 81 N 7.62 2.88 -0.26 4.11 0.00 -1.26 -4.55 120.51 129.05 2orl n ALA 81 Ca 0.37 -0.74 0.30 0.00 0.00 0.00 0.00 53.44 53.37 2orl n ALA 81 Cb 0.47 -1.03 0.70 0.00 0.00 0.00 0.00 19.45 19.60 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 1.80 0.11 0.00 0.00 3.57 -1.97 -3.47 116.94 116.97 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 0.90 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2orl h PHE 82 CO 0.39 0.01 0.00 0.41 -2.23 0.00 0.00 178.31 176.89 2orl n GLY 83 N -1.70 2.10 0.00 2.40 0.00 -1.26 -5.00 105.19 101.73 2orl n GLY 83 Ca 0.22 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 2.32 3.60 -0.02 0.00 -1.26 -4.74 105.19 105.09 2orl n GLY 84 Ca 0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 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 3.59 0.00 0.99 1.43 -0.37 -4.78 118.68 119.54 2orl s LEU 85 Ca 0.00 0.66 0.19 0.00 -1.03 0.00 0.00 54.13 53.94 2orl s LEU 85 Cb 0.00 -3.52 0.25 0.00 0.03 0.00 0.00 46.19 42.95 2orl s LEU 85 CO 0.00 -1.39 1.18 0.29 0.23 0.00 0.00 176.35 176.67 2orl n LYS 86 N 8.03 1.92 -3.33 1.70 5.02 -1.26 -3.07 118.16 127.17 2orl n LYS 86 Ca 0.15 -1.84 -0.45 0.00 -2.02 0.00 0.00 58.31 54.15 2orl n LYS 86 Cb 0.48 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 34.04 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 -1.42 3.01 0.19 1.97 1.02 -1.26 -4.99 119.74 118.26 2orl s LYS 87 Ca 0.27 -1.34 -0.11 0.00 0.02 0.00 0.00 55.97 54.80 2orl s LYS 87 Cb 0.17 -4.16 0.21 0.00 -0.52 0.00 0.00 37.83 33.52 2orl s LYS 87 CO 0.24 -1.13 1.76 1.49 -0.92 0.00 0.00 175.35 176.79 2orl h GLU 88 N 8.83 0.40 -0.80 1.68 4.57 -1.98 -2.57 114.58 124.72 2orl h GLU 88 Ca -0.29 -0.02 0.16 0.00 -1.18 0.00 0.00 59.36 58.03 2orl h GLU 88 Cb 1.11 -0.09 -0.10 0.00 -0.16 0.00 0.00 28.75 29.50 2orl h GLU 88 CO 0.93 0.27 0.35 0.87 -1.18 0.00 0.00 179.01 180.24 2orl h LYS 89 N 0.42 0.46 -0.42 1.92 1.79 -1.94 -0.17 116.57 118.64 2orl h LYS 89 Ca 0.26 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.63 2orl h LYS 89 Cb 0.27 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 2orl h LYS 89 CO -0.25 0.31 -0.03 -0.44 -1.08 0.00 0.00 179.45 177.96 2orl h ASP 90 N 0.48 0.75 -0.16 0.86 5.19 -1.91 -3.11 116.42 118.52 2orl h ASP 90 Ca 0.45 -0.33 -0.10 0.00 -0.62 0.00 0.00 57.03 56.43 2orl h ASP 90 Cb 0.71 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 2orl h ASP 90 CO -0.42 0.90 -0.23 0.03 -3.12 0.00 0.00 179.24 176.40 2orl h ARG 91 N 0.58 0.61 -0.81 3.56 3.08 -0.86 -3.09 114.38 117.46 2orl h ARG 91 Ca 0.11 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 60.00 2orl h ARG 91 Cb 0.53 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.45 2orl h ARG 91 CO 0.03 0.79 -0.53 -0.91 -1.07 0.00 0.00 179.97 178.29 2orl h ASN 92 N 0.54 -1.91 -0.22 7.04 2.35 -1.00 0.48 115.58 122.86 2orl h ASN 92 Ca 0.08 0.28 -0.13 0.00 -0.55 0.00 0.00 56.30 55.98 2orl h ASN 92 Cb 0.69 0.83 -0.01 0.00 0.05 0.00 0.00 38.32 39.88 2orl h ASN 92 CO 0.05 -0.24 -0.33 0.44 -1.65 0.00 0.00 177.43 175.71 2orl h ASP 93 N -0.07 0.77 -0.61 5.81 3.32 -1.69 -3.17 116.42 120.78 2orl h ASP 93 Ca 0.13 -0.32 0.08 0.00 0.02 0.00 0.00 57.03 56.94 2orl h ASP 93 Cb 0.40 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.67 2orl h ASP 93 CO -0.79 1.03 0.27 -0.07 -1.72 0.00 0.00 179.24 177.96 2orl h LEU 94 N 0.62 0.34 0.11 1.55 3.38 -1.12 -1.62 115.31 118.57 2orl h LEU 94 Ca 0.07 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2orl h LEU 94 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2orl h LEU 94 CO 0.07 0.21 -0.05 0.40 0.09 0.00 0.00 178.44 179.16 2orl h ILE 95 N 0.49 1.00 -1.00 1.22 2.04 -0.99 -2.77 117.51 117.51 2orl h ILE 95 Ca 0.29 -0.40 0.14 0.00 1.00 0.00 0.00 64.86 65.89 2orl h ILE 95 Cb 0.29 1.26 -0.09 0.00 -0.74 0.00 0.00 36.82 37.54 2orl h ILE 95 CO -0.25 0.10 0.63 0.74 0.00 0.00 0.00 178.15 179.37 2orl h THR 96 N -0.33 0.87 0.65 -0.27 2.02 -1.47 0.33 112.91 114.70 2orl h THR 96 Ca -0.01 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2orl h THR 96 Cb 0.27 -0.15 0.01 0.00 -1.74 0.00 0.00 68.15 66.54 2orl h THR 96 CO 0.02 0.17 -0.31 0.22 0.37 0.00 0.00 175.52 175.99 2orl h TYR 97 N 0.93 -0.81 -0.66 3.16 3.20 -1.14 0.12 116.97 121.77 2orl h TYR 97 Ca 0.51 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.36 2orl h TYR 97 Cb 0.59 0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 2orl h TYR 97 CO -0.00 -0.48 0.40 1.25 -1.64 0.00 0.00 178.16 177.69 2orl h LEU 98 N -0.95 0.80 -1.10 2.82 5.85 -1.18 -2.49 115.31 119.06 2orl h LEU 98 Ca -0.09 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.60 2orl h LEU 98 Cb 0.69 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 2orl h LEU 98 CO 0.15 0.63 0.61 0.50 -0.34 0.00 0.00 178.44 179.98 2orl h LYS 99 N 0.90 1.14 0.00 1.25 3.64 -0.33 -1.49 116.57 121.69 2orl h LYS 99 Ca 0.24 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.44 2orl h LYS 99 Cb -0.03 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 2orl h LYS 99 CO -0.04 0.76 -0.54 -0.22 -2.27 0.00 0.00 179.45 177.13 2orl h LYS 100 N 1.18 0.00 0.08 1.90 1.63 -0.33 -1.42 116.57 119.62 2orl h LYS 100 Ca 0.36 0.00 -0.26 0.00 -0.85 0.00 0.00 60.65 59.90 2orl h LYS 100 Cb -0.01 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2orl h LYS 100 CO -0.11 0.54 -1.13 0.00 -3.45 0.00 0.00 179.45 175.30 2orl h ALA 101 N 1.46 0.18 0.22 5.00 0.00 -1.10 -3.35 119.26 121.66 2orl h ALA 101 Ca -0.01 -0.80 -0.35 0.00 0.00 0.00 0.00 54.91 53.76 2orl h ALA 101 Cb 0.97 0.02 0.02 0.00 0.00 0.00 0.00 17.79 18.80 2orl h ALA 101 CO 0.07 0.86 -1.63 1.15 0.00 0.00 0.00 179.25 179.70 2orl h THR 102 N 0.17 1.10 0.00 0.00 2.02 -1.26 -3.47 112.91 111.47 2orl h THR 102 Ca -0.13 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.45 2orl h THR 102 Cb 1.81 2.90 0.00 0.00 -1.74 0.00 0.00 68.15 71.12 2orl h THR 102 CO 0.20 0.84 0.00 -1.84 0.37 0.00 0.00 175.52 175.08