#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot6 s GLU 2 N 0.00 4.18 -0.91 2.12 0.41 -0.41 -5.00 118.70 119.09 1ot6 s GLU 2 Ca 0.00 0.71 -0.18 0.00 -0.41 0.00 0.00 54.97 55.08 1ot6 s GLU 2 Cb 0.00 -3.62 0.14 0.00 -1.78 0.00 0.00 34.13 28.87 1ot6 s GLU 2 CO 0.00 -0.36 1.09 -1.01 -0.49 0.00 0.00 175.26 174.49 1ot6 s HIS 3 N 2.33 3.16 -0.03 1.61 3.76 -1.26 -4.47 115.29 120.38 1ot6 s HIS 3 Ca 0.30 -1.42 -0.01 0.00 -0.15 0.00 0.00 55.06 53.78 1ot6 s HIS 3 Cb -0.16 -4.25 0.03 0.00 1.11 0.00 0.00 32.58 29.32 1ot6 s HIS 3 CO 0.09 -1.45 0.06 0.08 -0.85 0.00 0.00 174.74 172.67 1ot6 s VAL 4 N 2.52 -0.08 0.11 -0.90 1.01 -1.26 -5.14 120.40 116.67 1ot6 s VAL 4 Ca 0.31 0.25 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 1ot6 s VAL 4 Cb -0.06 -0.13 -0.07 0.00 0.00 0.00 0.00 36.38 36.12 1ot6 s VAL 4 CO -0.09 0.10 0.66 0.00 0.00 0.00 0.00 175.10 175.78 1ot6 s ALA 5 N 1.33 3.52 0.18 5.51 0.00 -1.26 -4.69 121.76 126.36 1ot6 s ALA 5 Ca -0.06 0.18 -0.33 0.00 0.00 0.00 0.00 51.96 51.75 1ot6 s ALA 5 Cb -0.13 -2.78 -0.14 0.00 0.00 0.00 0.00 23.12 20.07 1ot6 s ALA 5 CO -0.04 0.35 1.45 0.34 0.00 0.00 0.00 175.76 177.86 1ot6 n PHE 6 N 1.68 2.05 -0.92 0.00 -0.00 -1.26 -2.06 117.46 116.95 1ot6 n PHE 6 Ca -0.08 0.41 0.00 0.00 -0.00 0.00 0.00 57.45 57.78 1ot6 n PHE 6 Cb 0.50 -2.46 0.00 0.00 -0.00 0.00 0.00 39.48 37.51 1ot6 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ot6 n GLY 7 N 2.74 0.69 3.69 7.13 0.00 -1.26 -5.03 105.19 113.16 1ot6 n GLY 7 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1ot6 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ot6 n SER 8 N 0.00 2.23 0.13 1.61 7.64 -0.87 -4.89 113.62 119.47 1ot6 n SER 8 Ca 0.00 1.01 0.01 0.00 1.01 0.00 0.00 58.87 60.90 1ot6 n SER 8 Cb 0.00 -1.50 0.31 0.00 -1.01 0.00 0.00 64.21 62.01 1ot6 n SER 8 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1ot6 h GLU 9 N 1.59 0.16 -0.47 1.43 3.07 -1.95 -2.68 114.58 115.73 1ot6 h GLU 9 Ca -0.49 -0.06 -0.23 0.00 -0.50 0.00 0.00 59.36 58.08 1ot6 h GLU 9 Cb 1.31 -0.01 -0.14 0.00 -0.84 0.00 0.00 28.75 29.07 1ot6 h GLU 9 CO 0.57 0.47 0.05 -0.40 -1.40 0.00 0.00 179.01 178.31 1ot6 n ASP 10 N -4.11 2.79 0.03 1.42 5.75 -1.26 -4.77 116.55 116.39 1ot6 n ASP 10 Ca -0.01 -3.71 0.10 0.00 -0.01 0.00 0.00 54.79 51.15 1ot6 n ASP 10 Cb 0.40 -0.67 0.53 0.00 -1.03 0.00 0.00 41.12 40.35 1ot6 n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1ot6 h ILE 11 N 1.07 0.96 -0.09 2.12 2.10 -1.85 -0.32 117.51 121.50 1ot6 h ILE 11 Ca 0.28 -0.11 -0.06 0.00 1.08 0.00 0.00 64.86 66.06 1ot6 h ILE 11 Cb 1.87 0.63 -0.01 0.00 -1.09 0.00 0.00 36.82 38.22 1ot6 h ILE 11 CO 0.51 0.06 -0.22 1.05 -1.08 0.00 0.00 178.15 178.46 1ot6 h GLU 12 N 0.31 0.15 -0.14 2.19 9.09 -1.86 -0.67 114.58 123.65 1ot6 h GLU 12 Ca 0.17 -0.04 -0.19 0.00 0.05 0.00 0.00 59.36 59.35 1ot6 h GLU 12 Cb 0.30 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 27.39 1ot6 h GLU 12 CO -0.04 0.38 -0.67 -0.91 0.05 0.00 0.00 179.01 177.82 1ot6 h ASN 13 N 0.14 0.83 -0.32 3.06 4.21 -1.45 -2.48 115.58 119.57 1ot6 h ASN 13 Ca 0.03 -0.63 -0.10 0.00 1.21 0.00 0.00 56.30 56.80 1ot6 h ASN 13 Cb 0.48 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.42 1ot6 h ASN 13 CO 0.03 1.32 -0.15 0.74 -1.29 0.00 0.00 177.43 178.08 1ot6 h THR 14 N 0.39 1.26 -0.00 2.81 2.02 -1.12 -2.86 112.91 115.40 1ot6 h THR 14 Ca -0.04 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.91 1ot6 h THR 14 Cb 1.30 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 1ot6 h THR 14 CO 0.14 0.42 -0.17 0.18 0.37 0.00 0.00 175.52 176.46 1ot6 n LEU 15 N -4.14 0.66 0.29 2.58 4.32 -0.29 -3.74 117.00 116.67 1ot6 n LEU 15 Ca 0.01 -0.08 0.15 0.00 -0.02 0.00 0.00 56.01 56.07 1ot6 n LEU 15 Cb 0.39 -0.17 0.91 0.00 -1.62 0.00 0.00 43.42 42.93 1ot6 n LEU 15 CO 0.43 0.12 1.13 0.00 -1.22 0.00 0.00 177.39 177.86 1ot6 h ALA 16 N 3.61 1.56 -0.02 -1.18 0.00 -1.19 -2.40 119.26 119.64 1ot6 h ALA 16 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ot6 h ALA 16 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1ot6 h ALA 16 CO 0.00 -0.04 0.00 0.36 0.00 0.00 0.00 179.25 179.57 1ot6 n LYS 17 N -3.84 1.16 -3.79 0.00 2.85 -1.25 -4.89 118.16 108.41 1ot6 n LYS 17 Ca -0.02 -0.24 -0.36 0.00 -1.05 0.00 0.00 58.31 56.63 1ot6 n LYS 17 Cb 0.11 -1.42 -0.13 0.00 -0.65 0.00 0.00 35.03 32.95 1ot6 n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1ot6 s MET 18 N -1.98 3.55 1.07 -1.58 1.00 -0.91 -5.04 119.30 115.42 1ot6 s MET 18 Ca 0.38 -0.54 -0.15 0.00 0.00 0.00 0.00 55.69 55.38 1ot6 s MET 18 Cb 0.18 -3.26 0.22 0.00 0.00 0.00 0.00 34.83 31.97 1ot6 s MET 18 CO 0.30 -0.21 1.12 0.16 0.00 0.00 0.00 175.02 176.39 1ot6 s ASP 19 N 1.58 2.09 0.23 3.03 3.84 -1.26 -4.76 116.67 121.42 1ot6 s ASP 19 Ca 0.06 0.88 -0.08 0.00 -0.00 0.00 0.00 52.55 53.41 1ot6 s ASP 19 Cb -0.15 -1.34 0.21 0.00 -1.38 0.00 0.00 42.92 40.26 1ot6 s ASP 19 CO 0.02 -3.42 1.90 0.44 -0.00 0.00 0.00 175.17 174.11 1ot6 h ASP 20 N -2.10 1.02 -0.70 2.11 3.45 -1.99 -0.61 116.42 117.60 1ot6 h ASP 20 Ca -0.50 -0.03 -0.03 0.00 0.43 0.00 0.00 57.03 56.89 1ot6 h ASP 20 Cb 1.31 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 39.79 1ot6 h ASP 20 CO 0.49 0.75 0.32 1.23 -1.57 0.00 0.00 179.24 180.45 1ot6 h GLY 21 N 1.20 1.12 1.03 2.75 0.00 -1.99 -1.91 103.07 105.26 1ot6 h GLY 21 Ca 0.32 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 47.00 1ot6 h GLY 21 CO -0.07 0.53 -0.02 1.46 0.00 0.00 0.00 176.54 178.45 1ot6 h GLN 22 N 1.03 0.94 -0.24 4.80 4.20 -1.79 -2.72 115.11 121.32 1ot6 h GLN 22 Ca 0.25 -0.31 0.01 0.00 0.06 0.00 0.00 58.65 58.66 1ot6 h GLN 22 Cb 0.14 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1ot6 h GLN 22 CO -0.03 0.96 0.16 1.25 -0.67 0.00 0.00 178.83 180.51 1ot6 h LEU 23 N 0.81 0.27 -0.99 1.46 5.85 -0.75 -0.75 115.31 121.21 1ot6 h LEU 23 Ca 0.15 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1ot6 h LEU 23 Cb 0.55 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1ot6 h LEU 23 CO 0.03 0.19 0.00 0.44 -0.34 0.00 0.00 178.44 178.76 1ot6 h ASP 24 N 0.32 0.00 0.41 1.25 3.32 -1.02 -2.45 116.42 118.24 1ot6 h ASP 24 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1ot6 h ASP 24 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1ot6 h ASP 24 CO -0.02 0.00 -0.03 0.61 -1.72 0.00 0.00 179.24 178.08 1ot6 n GLY 25 N -0.36 -1.13 3.81 2.75 0.00 -0.29 -4.63 105.19 105.33 1ot6 n GLY 25 Ca 0.01 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1ot6 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ot6 s LEU 26 N -2.44 3.56 0.00 0.99 1.43 -0.92 -1.29 118.68 120.00 1ot6 s LEU 26 Ca 0.32 1.78 0.26 0.00 -1.03 0.00 0.00 54.13 55.46 1ot6 s LEU 26 Cb 0.21 -4.53 1.11 0.00 0.03 0.00 0.00 46.19 43.01 1ot6 s LEU 26 CO 0.45 -1.02 1.83 0.00 0.23 0.00 0.00 176.35 177.84 1ot6 n ALA 27 N -1.84 2.19 -2.29 4.21 0.00 -1.26 -4.73 120.51 116.80 1ot6 n ALA 27 Ca 0.08 -0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.28 1ot6 n ALA 27 Cb 0.53 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 1ot6 n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ot6 s PHE 28 N -2.99 1.39 0.34 0.00 -0.12 -1.26 -5.05 117.98 110.29 1ot6 s PHE 28 Ca 0.13 -0.93 -0.28 0.00 -0.05 0.00 0.00 56.93 55.80 1ot6 s PHE 28 Cb 0.17 -0.79 -0.09 0.00 -0.63 0.00 0.00 43.02 41.68 1ot6 s PHE 28 CO 0.47 -0.08 1.20 0.20 -0.05 0.00 0.00 175.22 176.95 1ot6 s GLY 29 N -3.24 2.98 -0.04 1.99 0.00 0.33 -4.60 107.32 104.74 1ot6 s GLY 29 Ca 0.25 1.05 -0.01 0.00 0.00 0.00 0.00 44.72 46.00 1ot6 s GLY 29 CO 0.06 1.64 0.09 0.00 0.00 0.00 0.00 173.10 174.89 1ot6 s ALA 30 N -1.24 -0.09 -0.04 3.20 0.00 -1.26 -0.98 121.76 121.36 1ot6 s ALA 30 Ca 0.50 0.49 0.05 0.00 0.00 0.00 0.00 51.96 53.00 1ot6 s ALA 30 Cb -0.34 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.40 1ot6 s ALA 30 CO 0.44 -0.16 -0.18 0.42 0.00 0.00 0.00 175.76 176.29 1ot6 s ILE 31 N 1.19 1.47 -0.18 0.00 1.01 -0.05 -1.41 121.20 123.24 1ot6 s ILE 31 Ca -0.08 -0.75 -0.04 0.00 0.00 0.00 0.00 60.65 59.77 1ot6 s ILE 31 Cb -0.12 -1.25 -0.03 0.00 0.01 0.00 0.00 42.46 41.07 1ot6 s ILE 31 CO -0.05 0.42 -0.02 -1.58 0.00 0.00 0.00 174.94 173.72 1ot6 s GLN 32 N -0.11 3.65 0.08 2.79 0.74 -0.54 -0.59 119.66 125.68 1ot6 s GLN 32 Ca -0.01 -0.52 0.07 0.00 0.05 0.00 0.00 55.36 54.96 1ot6 s GLN 32 Cb -0.10 -3.00 -0.04 0.00 1.10 0.00 0.00 33.01 30.97 1ot6 s GLN 32 CO 0.01 0.14 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.24 1ot6 s LEU 33 N 0.65 2.83 0.93 3.68 1.43 0.54 -0.07 118.68 128.66 1ot6 s LEU 33 Ca -0.01 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.51 1ot6 s LEU 33 Cb -0.14 -1.65 0.18 0.00 0.03 0.00 0.00 46.19 44.60 1ot6 s LEU 33 CO 0.02 0.21 1.29 1.51 0.23 0.00 0.00 176.35 179.61 1ot6 s ASP 34 N -1.89 3.37 0.36 2.29 1.47 -0.32 -0.57 116.67 121.37 1ot6 s ASP 34 Ca 0.18 0.32 0.27 0.00 1.18 0.00 0.00 52.55 54.50 1ot6 s ASP 34 Cb -0.11 -0.44 1.22 0.00 -0.34 0.00 0.00 42.92 43.25 1ot6 s ASP 34 CO 0.10 -2.58 1.81 1.23 0.68 0.00 0.00 175.17 176.40 1ot6 h GLY 35 N -1.51 0.00 0.63 2.12 0.00 -1.91 -0.85 103.07 101.55 1ot6 h GLY 35 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1ot6 h GLY 35 CO 0.42 0.00 -0.26 1.22 0.00 0.00 0.00 176.54 177.92 1ot6 n ASP 36 N -2.47 0.74 0.00 0.19 8.00 -1.26 -4.95 116.55 116.80 1ot6 n ASP 36 Ca 0.01 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 54.89 1ot6 n ASP 36 Cb 0.18 0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.36 1ot6 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ot6 n GLY 37 N 1.37 0.79 3.77 0.44 0.00 -0.32 -4.90 105.19 106.33 1ot6 n GLY 37 Ca 0.11 -0.08 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1ot6 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ot6 s ASN 38 N -2.07 7.36 -0.19 1.61 0.01 -1.26 -0.78 114.94 119.63 1ot6 s ASN 38 Ca 0.00 1.98 -0.28 0.00 -0.71 0.00 0.00 52.86 53.85 1ot6 s ASN 38 Cb 0.00 -2.60 -0.00 0.00 0.41 0.00 0.00 41.25 39.06 1ot6 s ASN 38 CO 0.00 -0.05 0.97 -0.63 -1.51 0.00 0.00 177.10 175.88 1ot6 s ILE 39 N -1.39 4.76 -0.19 0.60 1.01 -0.11 -1.18 121.20 124.69 1ot6 s ILE 39 Ca 0.47 1.91 0.06 0.00 0.00 0.00 0.00 60.65 63.09 1ot6 s ILE 39 Cb -0.24 -4.26 -0.22 0.00 0.01 0.00 0.00 42.46 37.76 1ot6 s ILE 39 CO 0.30 -0.08 0.06 0.18 0.00 0.00 0.00 174.94 175.40 1ot6 n LEU 40 N 5.76 1.83 -3.86 2.97 4.77 0.89 -0.52 117.00 128.85 1ot6 n LEU 40 Ca 0.09 0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1ot6 n LEU 40 Cb 0.47 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1ot6 n LEU 40 CO 0.51 0.74 -0.14 -1.10 -1.33 0.00 0.00 177.39 176.06 1ot6 s GLN 41 N -2.53 0.53 -0.27 3.23 -0.21 -1.10 -4.90 119.66 114.41 1ot6 s GLN 41 Ca -0.22 -0.40 -0.05 0.00 0.02 0.00 0.00 55.36 54.71 1ot6 s GLN 41 Cb 0.08 0.22 0.14 0.00 1.00 0.00 0.00 33.01 34.45 1ot6 s GLN 41 CO 0.72 -0.13 0.54 -0.47 -2.12 0.00 0.00 175.29 173.83 1ot6 s TYR 42 N -1.49 -1.24 0.65 0.91 6.14 -1.26 -1.47 117.35 119.60 1ot6 s TYR 42 Ca -0.14 1.69 0.00 0.00 0.64 0.00 0.00 57.07 59.26 1ot6 s TYR 42 Cb -0.07 0.48 0.09 0.00 0.42 0.00 0.00 41.96 42.88 1ot6 s TYR 42 CO 0.01 -0.72 0.90 0.54 0.64 0.00 0.00 175.55 176.93 1ot6 s ASN 43 N 2.77 4.75 0.18 4.32 4.22 -0.50 -4.76 114.94 125.91 1ot6 s ASN 43 Ca 0.08 -0.21 -0.11 0.00 -2.14 0.00 0.00 52.86 50.48 1ot6 s ASN 43 Cb -0.14 -0.38 0.08 0.00 1.28 0.00 0.00 41.25 42.09 1ot6 s ASN 43 CO -0.18 -1.56 1.71 0.00 -2.04 0.00 0.00 177.10 175.03 1ot6 h ALA 44 N -0.28 0.81 -0.72 3.54 0.00 -1.84 -1.98 119.26 118.79 1ot6 h ALA 44 Ca -0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1ot6 h ALA 44 Cb 1.28 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1ot6 h ALA 44 CO 0.46 0.47 0.42 0.00 0.00 0.00 0.00 179.25 180.60 1ot6 h ALA 45 N 1.07 1.38 -0.27 0.00 0.00 -1.83 -0.69 119.26 118.92 1ot6 h ALA 45 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ot6 h ALA 45 Cb 0.28 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1ot6 h ALA 45 CO -0.01 0.53 0.10 0.37 0.00 0.00 0.00 179.25 180.23 1ot6 h GLN 46 N 1.00 0.41 -0.29 0.00 5.75 -1.70 -1.88 115.11 118.41 1ot6 h GLN 46 Ca 0.26 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 1ot6 h GLN 46 Cb -0.01 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1ot6 h GLN 46 CO -0.05 0.46 0.19 0.78 -2.65 0.00 0.00 178.83 177.57 1ot6 h GLY 47 N 0.28 0.40 1.45 2.39 0.00 -0.76 -0.53 103.07 106.30 1ot6 h GLY 47 Ca 0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 1ot6 h GLY 47 CO -0.00 0.15 -0.29 -0.55 0.00 0.00 0.00 176.54 175.85 1ot6 h ASP 48 N 0.39 0.64 -0.38 0.19 3.32 -0.74 0.84 116.42 120.69 1ot6 h ASP 48 Ca 0.11 -0.24 -0.12 0.00 0.02 0.00 0.00 57.03 56.79 1ot6 h ASP 48 Cb -0.04 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1ot6 h ASP 48 CO -0.02 0.90 -0.24 0.40 -1.72 0.00 0.00 179.24 178.56 1ot6 h ILE 49 N 0.54 1.28 0.00 0.35 2.04 -0.52 -3.37 117.51 117.83 1ot6 h ILE 49 Ca 0.07 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.54 1ot6 h ILE 49 Cb 0.77 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 1ot6 h ILE 49 CO 0.06 0.46 -1.52 0.35 0.00 0.00 0.00 178.15 177.51 1ot6 n THR 50 N -4.22 0.00 -0.05 -0.27 -2.24 -0.29 -5.00 114.28 102.21 1ot6 n THR 50 Ca -0.02 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 1ot6 n THR 50 Cb 0.45 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 1ot6 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ot6 n GLY 51 N 1.49 2.19 3.79 3.38 0.00 0.28 -4.99 105.19 111.33 1ot6 n GLY 51 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1ot6 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ot6 s ARG 52 N -0.24 3.74 -0.33 1.61 3.00 -1.24 -5.00 118.95 120.49 1ot6 s ARG 52 Ca 0.00 1.48 -0.21 0.00 0.00 0.00 0.00 55.73 57.00 1ot6 s ARG 52 Cb 0.00 -2.17 -0.00 0.00 0.00 0.00 0.00 34.95 32.78 1ot6 s ARG 52 CO 0.00 -0.50 0.69 0.34 0.00 0.00 0.00 175.30 175.83 1ot6 s ASP 53 N -1.81 6.52 0.22 0.23 3.68 -1.26 -4.42 116.67 119.83 1ot6 s ASP 53 Ca 0.67 0.40 -0.09 0.00 2.13 0.00 0.00 52.55 55.66 1ot6 s ASP 53 Cb -0.20 -2.36 0.32 0.00 -1.45 0.00 0.00 42.92 39.24 1ot6 s ASP 53 CO 0.24 -0.58 1.71 -0.65 0.13 0.00 0.00 175.17 176.02 1ot6 h PRO 54 N 8.29 0.29 0.00 4.34 0.11 -1.89 -0.53 132.00 142.60 1ot6 h PRO 54 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ot6 h PRO 54 Cb 1.11 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ot6 h PRO 54 CO 0.85 0.19 0.00 0.87 -0.21 0.00 0.00 178.00 179.70 1ot6 h LYS 55 N 0.30 0.00 0.00 1.05 6.56 -1.94 -2.13 116.57 120.41 1ot6 h LYS 55 Ca 0.33 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.87 1ot6 h LYS 55 Cb 0.50 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.15 1ot6 h LYS 55 CO -0.40 0.00 -0.25 1.96 -2.06 0.00 0.00 179.45 178.70 1ot6 h GLN 56 N 0.00 0.00 0.00 3.15 4.20 -1.51 -3.32 115.11 117.63 1ot6 h GLN 56 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ot6 h GLN 56 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 1ot6 h GLN 56 CO 0.00 0.25 -1.60 1.33 -0.67 0.00 0.00 178.83 178.14 1ot6 n VAL 57 N -3.17 0.13 -1.78 -0.54 0.24 -0.84 -4.83 118.33 107.55 1ot6 n VAL 57 Ca 0.03 -0.43 -0.42 0.00 -2.04 0.00 0.00 64.34 61.48 1ot6 n VAL 57 Cb 0.63 0.06 -0.02 0.00 -1.47 0.00 0.00 33.84 33.03 1ot6 n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ot6 s ILE 58 N -3.40 2.12 0.00 1.34 1.01 -0.97 -1.06 121.20 120.24 1ot6 s ILE 58 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1ot6 s ILE 58 Cb 0.13 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.54 1ot6 s ILE 58 CO 0.87 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.43 1ot6 n GLY 59 N 3.00 1.97 3.88 6.18 0.00 0.32 -4.99 105.19 115.56 1ot6 n GLY 59 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1ot6 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ot6 s LYS 60 N -0.82 3.65 -0.20 1.61 1.02 -0.22 -4.69 119.74 120.09 1ot6 s LYS 60 Ca 0.00 0.50 -0.23 0.00 0.02 0.00 0.00 55.97 56.26 1ot6 s LYS 60 Cb 0.00 -2.26 -0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1ot6 s LYS 60 CO 0.00 -0.29 0.76 1.21 -0.92 0.00 0.00 175.35 176.12 1ot6 s ASN 61 N -3.82 6.82 0.17 2.83 3.84 -1.26 -0.94 114.94 122.59 1ot6 s ASN 61 Ca 0.52 1.01 -0.14 0.00 0.21 0.00 0.00 52.86 54.46 1ot6 s ASN 61 Cb -0.10 -2.41 0.07 0.00 -0.55 0.00 0.00 41.25 38.26 1ot6 s ASN 61 CO 0.43 -0.40 1.83 0.15 -2.79 0.00 0.00 177.10 176.33 1ot6 h PHE 62 N 7.51 0.62 0.05 0.43 3.57 -1.30 -1.10 116.94 126.72 1ot6 h PHE 62 Ca -0.28 0.02 -0.27 0.00 3.53 0.00 0.00 57.97 60.97 1ot6 h PHE 62 Cb 1.12 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 1ot6 h PHE 62 CO 0.73 0.38 -1.39 0.74 -2.23 0.00 0.00 178.31 176.54 1ot6 h PHE 63 N 0.67 0.21 0.16 0.41 0.04 -1.84 0.21 116.94 116.79 1ot6 h PHE 63 Ca 0.19 -0.15 -0.27 0.00 2.80 0.00 0.00 57.97 60.55 1ot6 h PHE 63 Cb -0.04 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.11 1ot6 h PHE 63 CO -0.05 1.17 -1.28 -0.22 -0.60 0.00 0.00 178.31 177.33 1ot6 h LYS 64 N 0.03 0.33 0.00 1.51 3.64 -1.88 -3.37 116.57 116.83 1ot6 h LYS 64 Ca -0.17 -0.56 -0.13 0.00 -1.27 0.00 0.00 60.65 58.52 1ot6 h LYS 64 Cb 1.93 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 33.94 1ot6 h LYS 64 CO 0.13 1.27 -1.45 -0.25 -2.27 0.00 0.00 179.45 176.88 1ot6 n ASP 65 N -3.91 1.87 0.07 4.20 8.00 -0.46 -4.73 116.55 121.59 1ot6 n ASP 65 Ca -0.20 0.04 -0.21 0.00 0.71 0.00 0.00 54.79 55.12 1ot6 n ASP 65 Cb 0.93 -0.19 -0.14 0.00 -0.02 0.00 0.00 41.12 41.70 1ot6 n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1ot6 h VAL 66 N -0.16 1.43 -2.05 2.53 2.07 -1.37 -3.41 116.25 115.29 1ot6 h VAL 66 Ca -0.19 -2.51 -0.52 0.00 0.82 0.00 0.00 66.70 64.30 1ot6 h VAL 66 Cb 1.22 3.05 -0.41 0.00 -1.52 0.00 0.00 31.29 33.63 1ot6 h VAL 66 CO -0.08 0.73 -0.97 0.00 0.02 0.00 0.00 177.57 177.26 1ot6 n ALA 67 N -2.67 3.19 0.23 1.67 0.00 0.74 -4.91 120.51 118.75 1ot6 n ALA 67 Ca -0.14 -3.91 0.15 0.00 0.00 0.00 0.00 53.44 49.54 1ot6 n ALA 67 Cb 0.88 -0.84 0.80 0.00 0.00 0.00 0.00 19.45 20.29 1ot6 n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ot6 h PRO 68 N 2.98 0.00 0.00 0.00 0.13 -1.76 -0.34 132.00 133.01 1ot6 h PRO 68 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ot6 h PRO 68 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1ot6 h PRO 68 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 1ot6 n THR 70 N -2.55 0.00 -2.70 0.00 -2.24 -0.14 -4.71 114.28 101.94 1ot6 n THR 70 Ca 0.02 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.32 1ot6 n THR 70 Cb 0.29 0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 1ot6 n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ot6 s ASP 71 N -2.75 6.66 0.12 3.42 2.15 -0.67 -1.06 116.67 124.53 1ot6 s ASP 71 Ca 0.18 -1.97 -0.25 0.00 0.43 0.00 0.00 52.55 50.95 1ot6 s ASP 71 Cb 0.19 -2.51 0.08 0.00 -0.30 0.00 0.00 42.92 40.37 1ot6 s ASP 71 CO 0.59 -1.25 0.65 -0.94 -0.17 0.00 0.00 175.17 174.05 1ot6 s SER 72 N 4.26 -0.55 0.49 -0.34 1.04 -1.26 -4.97 113.70 112.38 1ot6 s SER 72 Ca 0.44 0.06 0.17 0.00 0.48 0.00 0.00 55.95 57.11 1ot6 s SER 72 Cb -0.01 0.56 1.21 0.00 0.10 0.00 0.00 66.02 67.88 1ot6 s SER 72 CO -0.05 -0.89 2.06 -0.65 0.98 0.00 0.00 173.24 174.69 1ot6 h PRO 73 N 2.09 0.15 0.00 4.02 0.11 -1.94 -0.14 132.00 136.29 1ot6 h PRO 73 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1ot6 h PRO 73 Cb 1.28 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ot6 h PRO 73 CO 0.37 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 178.65 1ot6 n GLU 74 N -4.47 0.16 0.00 1.05 4.71 -1.26 -3.13 120.64 117.69 1ot6 n GLU 74 Ca 0.04 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.46 1ot6 n GLU 74 Cb 0.30 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 28.99 1ot6 n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ot6 n PHE 75 N -2.02 0.00 -0.28 -0.32 -0.00 -1.01 -4.75 117.46 109.09 1ot6 n PHE 75 Ca 0.04 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.61 1ot6 n PHE 75 Cb 0.30 0.10 0.37 0.00 -0.00 0.00 0.00 39.48 40.26 1ot6 n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1ot6 h TYR 76 N 0.00 0.84 -0.56 -5.13 3.20 -0.55 -1.20 116.97 113.56 1ot6 h TYR 76 Ca 0.00 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1ot6 h TYR 76 Cb 0.00 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 1ot6 h TYR 76 CO 0.00 0.30 0.16 0.78 -1.64 0.00 0.00 178.16 177.76 1ot6 h GLY 77 N 0.70 0.92 0.93 1.82 0.00 -1.03 0.76 103.07 107.17 1ot6 h GLY 77 Ca 0.46 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 1ot6 h GLY 77 CO -0.22 0.48 0.10 0.50 0.00 0.00 0.00 176.54 177.40 1ot6 h LYS 78 N 0.83 0.63 0.03 4.80 1.57 -1.22 -1.88 116.57 121.32 1ot6 h LYS 78 Ca 0.19 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1ot6 h LYS 78 Cb 0.26 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1ot6 h LYS 78 CO -0.01 0.66 -0.16 0.35 -0.57 0.00 0.00 179.45 179.72 1ot6 h PHE 79 N 0.50 -0.42 -0.01 -1.35 3.57 -0.52 -1.21 116.94 117.49 1ot6 h PHE 79 Ca 0.13 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.51 1ot6 h PHE 79 Cb 0.30 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1ot6 h PHE 79 CO 0.02 -0.24 -0.61 1.57 -2.23 0.00 0.00 178.31 176.82 1ot6 h LYS 80 N -0.28 0.03 -0.63 1.11 5.09 -0.84 0.23 116.57 121.27 1ot6 h LYS 80 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 60.65 60.75 1ot6 h LYS 80 Cb 0.34 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.64 1ot6 h LYS 80 CO -0.14 0.62 0.34 1.49 -2.09 0.00 0.00 179.45 179.68 1ot6 h GLU 81 N 0.02 0.88 -0.59 0.07 4.22 -1.24 -0.75 114.58 117.19 1ot6 h GLU 81 Ca -0.01 -0.11 -0.10 0.00 0.08 0.00 0.00 59.36 59.22 1ot6 h GLU 81 Cb 1.08 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 1ot6 h GLU 81 CO 0.08 0.68 -0.03 0.78 -2.18 0.00 0.00 179.01 178.33 1ot6 h GLY 82 N 0.86 1.15 0.98 1.92 0.00 -0.23 -0.32 103.07 107.43 1ot6 h GLY 82 Ca 0.22 -0.87 0.01 0.00 0.00 0.00 0.00 47.33 46.68 1ot6 h GLY 82 CO -0.03 0.80 0.22 -2.08 0.00 0.00 0.00 176.54 175.45 1ot6 h VAL 83 N 0.97 1.07 -0.71 4.60 2.07 -0.85 0.81 116.25 124.20 1ot6 h VAL 83 Ca 0.16 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.48 1ot6 h VAL 83 Cb 0.60 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1ot6 h VAL 83 CO 0.04 0.08 0.26 0.00 0.02 0.00 0.00 177.57 177.97 1ot6 h ALA 84 N 1.14 1.11 0.00 1.67 0.00 -0.85 -2.36 119.26 119.98 1ot6 h ALA 84 Ca 0.13 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1ot6 h ALA 84 Cb -0.04 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1ot6 h ALA 84 CO -0.04 0.62 -0.24 0.77 0.00 0.00 0.00 179.25 180.37 1ot6 h SER 85 N 1.04 0.00 -0.48 0.00 0.02 -0.80 -3.48 113.55 109.86 1ot6 h SER 85 Ca 0.24 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 1ot6 h SER 85 Cb 0.23 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 1ot6 h SER 85 CO -0.02 0.24 -0.13 0.61 -1.14 0.00 0.00 176.83 176.39 1ot6 n GLY 86 N 0.77 0.60 3.49 -3.77 0.00 0.22 -5.04 105.19 101.47 1ot6 n GLY 86 Ca 0.02 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 1ot6 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ot6 s ASN 87 N -2.87 -0.61 -0.26 1.61 2.20 -0.88 -5.03 114.94 109.10 1ot6 s ASN 87 Ca 0.00 1.18 -0.14 0.00 -0.94 0.00 0.00 52.86 52.96 1ot6 s ASN 87 Cb 0.00 1.19 0.08 0.00 -2.00 0.00 0.00 41.25 40.52 1ot6 s ASN 87 CO 0.00 -0.20 0.63 -0.22 -2.94 0.00 0.00 177.10 174.37 1ot6 s LEU 88 N 0.34 -0.81 -0.32 3.54 2.96 -1.26 -4.40 118.68 118.74 1ot6 s LEU 88 Ca -0.00 1.41 0.06 0.00 -0.22 0.00 0.00 54.13 55.38 1ot6 s LEU 88 Cb -0.04 2.18 0.19 0.00 0.50 0.00 0.00 46.19 49.03 1ot6 s LEU 88 CO 0.00 -0.23 0.59 0.21 -1.32 0.00 0.00 176.35 175.61 1ot6 s ASN 89 N 1.70 -1.55 -0.04 3.68 2.47 -1.24 -1.33 114.94 118.63 1ot6 s ASN 89 Ca -0.10 -0.05 -0.08 0.00 0.42 0.00 0.00 52.86 53.06 1ot6 s ASN 89 Cb -0.06 1.99 0.01 0.00 -1.45 0.00 0.00 41.25 41.74 1ot6 s ASN 89 CO -0.19 -0.27 0.18 0.28 -3.72 0.00 0.00 177.10 173.38 1ot6 s THR 90 N 2.60 0.04 -0.06 -5.21 -1.32 -0.37 -5.01 115.64 106.32 1ot6 s THR 90 Ca 0.11 -0.32 0.02 0.00 -1.21 0.00 0.00 61.69 60.29 1ot6 s THR 90 Cb -0.09 -0.37 0.02 0.00 -1.51 0.00 0.00 72.50 70.55 1ot6 s THR 90 CO -0.22 -0.17 -0.09 -0.32 -2.21 0.00 0.00 174.62 171.61 1ot6 s MET 91 N -0.61 1.35 0.01 7.08 1.75 -1.26 -0.62 119.30 126.99 1ot6 s MET 91 Ca -0.07 -0.29 -0.24 0.00 -1.25 0.00 0.00 55.69 53.84 1ot6 s MET 91 Cb -0.04 -1.17 0.05 0.00 2.84 0.00 0.00 34.83 36.51 1ot6 s MET 91 CO 0.01 -0.01 0.53 -0.59 -0.65 0.00 0.00 175.02 174.32 1ot6 s PHE 92 N 0.74 -0.46 0.44 4.11 -0.71 -0.09 -4.98 117.98 117.03 1ot6 s PHE 92 Ca -0.13 0.65 -0.14 0.00 -1.04 0.00 0.00 56.93 56.26 1ot6 s PHE 92 Cb -0.15 0.32 -0.08 0.00 -1.21 0.00 0.00 43.02 41.90 1ot6 s PHE 92 CO 0.02 -0.59 0.87 -1.21 -1.34 0.00 0.00 175.22 172.97 1ot6 s GLU 93 N -1.85 3.90 0.13 1.99 2.02 -1.26 -0.32 118.70 123.32 1ot6 s GLU 93 Ca -0.09 0.74 -0.21 0.00 0.02 0.00 0.00 54.97 55.44 1ot6 s GLU 93 Cb -0.01 -2.27 0.06 0.00 0.10 0.00 0.00 34.13 32.00 1ot6 s GLU 93 CO 0.03 -0.11 0.52 -0.47 0.02 0.00 0.00 175.26 175.25 1ot6 s TYR 94 N -2.42 -0.41 -0.15 1.61 5.04 -0.35 -4.91 117.35 115.76 1ot6 s TYR 94 Ca 0.55 0.20 -0.01 0.00 -2.44 0.00 0.00 57.07 55.38 1ot6 s TYR 94 Cb -0.10 0.43 -0.01 0.00 0.35 0.00 0.00 41.96 42.63 1ot6 s TYR 94 CO 0.29 -0.77 -0.12 0.99 -1.34 0.00 0.00 175.55 174.59 1ot6 s THR 95 N -3.60 3.03 -0.24 4.34 2.01 -1.26 -0.81 115.64 119.12 1ot6 s THR 95 Ca 0.01 -0.65 -0.13 0.00 0.31 0.00 0.00 61.69 61.23 1ot6 s THR 95 Cb 0.00 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1ot6 s THR 95 CO -0.11 0.51 0.27 -0.36 -0.69 0.00 0.00 174.62 174.24 1ot6 s PHE 96 N 0.63 3.31 0.00 4.92 0.08 -0.18 -4.90 117.98 121.84 1ot6 s PHE 96 Ca -0.07 0.37 0.00 0.00 0.12 0.00 0.00 56.93 57.35 1ot6 s PHE 96 Cb -0.15 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 39.88 1ot6 s PHE 96 CO 0.03 -0.03 0.88 -0.40 -0.10 0.00 0.00 175.22 175.60 1ot6 n ASP 97 N 4.59 0.00 -4.56 1.36 5.68 -1.26 -1.01 116.55 121.34 1ot6 n ASP 97 Ca -0.12 -1.78 -0.42 0.00 -0.50 0.00 0.00 54.79 51.98 1ot6 n ASP 97 Cb 0.51 -0.16 -0.07 0.00 -1.14 0.00 0.00 41.12 40.27 1ot6 n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ot6 s TYR 98 N 0.00 3.15 -1.49 2.11 5.04 -1.26 -4.20 117.35 120.70 1ot6 s TYR 98 Ca 0.00 0.28 -0.09 0.00 -2.44 0.00 0.00 57.07 54.82 1ot6 s TYR 98 Cb 0.00 -3.11 0.06 0.00 0.35 0.00 0.00 41.96 39.26 1ot6 s TYR 98 CO 0.00 -0.63 0.77 1.04 -1.34 0.00 0.00 175.55 175.39 1ot6 n GLN 99 N 6.00 -4.47 -3.45 4.97 1.13 -1.26 -4.94 117.38 115.36 1ot6 n GLN 99 Ca -0.02 0.52 -0.11 0.00 -1.94 0.00 0.00 57.00 55.45 1ot6 n GLN 99 Cb 0.49 -5.15 -0.02 0.00 0.11 0.00 0.00 30.24 25.67 1ot6 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ot6 s MET 100 N -6.53 1.15 0.19 -1.09 0.23 -1.26 -5.12 119.30 106.88 1ot6 s MET 100 Ca 0.40 -0.43 -0.32 0.00 -1.03 0.00 0.00 55.69 54.31 1ot6 s MET 100 Cb -0.21 0.53 -0.11 0.00 -1.53 0.00 0.00 34.83 33.51 1ot6 s MET 100 CO 0.86 -0.51 1.64 0.99 -2.03 0.00 0.00 175.02 175.97 1ot6 s THR 101 N -3.57 2.33 0.12 3.16 2.01 -1.26 -4.76 115.64 113.66 1ot6 s THR 101 Ca 0.02 0.24 -0.34 0.00 0.31 0.00 0.00 61.69 61.92 1ot6 s THR 101 Cb -0.01 -3.15 -0.13 0.00 0.01 0.00 0.00 72.50 69.21 1ot6 s THR 101 CO -0.11 0.02 1.64 -2.65 -0.69 0.00 0.00 174.62 172.83 1ot6 n PRO 102 N 3.86 2.18 -3.87 4.92 -0.02 -1.26 -4.77 135.00 136.05 1ot6 n PRO 102 Ca 0.14 0.79 -0.27 0.00 -2.02 0.00 0.00 63.50 62.14 1ot6 n PRO 102 Cb 0.37 -2.58 -0.17 0.00 -0.02 0.00 0.00 33.50 31.11 1ot6 n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ot6 s THR 103 N 1.53 0.93 0.04 3.45 2.01 -0.18 -4.96 115.64 118.46 1ot6 s THR 103 Ca 0.81 -0.38 -0.25 0.00 0.31 0.00 0.00 61.69 62.19 1ot6 s THR 103 Cb -0.67 -1.06 -0.05 0.00 0.01 0.00 0.00 72.50 70.72 1ot6 s THR 103 CO 0.40 0.22 0.75 -0.54 -0.69 0.00 0.00 174.62 174.77 1ot6 s LYS 104 N 1.73 4.48 0.18 4.92 1.02 -1.26 -1.01 119.74 129.80 1ot6 s LYS 104 Ca 0.03 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.06 1ot6 s LYS 104 Cb -0.14 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.77 1ot6 s LYS 104 CO -0.08 0.29 0.05 0.14 -0.92 0.00 0.00 175.35 174.84 1ot6 s VAL 105 N -0.07 0.39 -0.17 3.17 -7.23 0.01 -2.66 120.40 113.83 1ot6 s VAL 105 Ca 0.38 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 1ot6 s VAL 105 Cb -0.20 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1ot6 s VAL 105 CO 0.22 -0.33 0.02 -0.75 -0.31 0.00 0.00 175.10 173.95 1ot6 s LYS 106 N -4.01 3.83 -0.09 4.82 2.20 0.10 -1.21 119.74 125.38 1ot6 s LYS 106 Ca 0.28 -0.42 0.01 0.00 -0.36 0.00 0.00 55.97 55.48 1ot6 s LYS 106 Cb 0.07 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.29 1ot6 s LYS 106 CO 0.06 0.26 -0.10 0.08 -0.36 0.00 0.00 175.35 175.29 1ot6 s VAL 107 N 0.35 3.37 -0.19 4.02 1.01 0.56 -1.60 120.40 127.92 1ot6 s VAL 107 Ca -0.00 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1ot6 s VAL 107 Cb -0.13 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 33.90 1ot6 s VAL 107 CO 0.01 0.56 -0.10 -2.28 0.00 0.00 0.00 175.10 173.30 1ot6 s HIS 108 N -0.30 2.30 -0.15 5.22 2.46 0.34 -0.91 115.29 124.26 1ot6 s HIS 108 Ca 0.03 -1.50 -0.06 0.00 0.47 0.00 0.00 55.06 54.00 1ot6 s HIS 108 Cb -0.13 -1.59 -0.04 0.00 -0.13 0.00 0.00 32.58 30.69 1ot6 s HIS 108 CO 0.03 -0.72 0.06 -1.64 -2.47 0.00 0.00 174.74 169.99 1ot6 s MET 109 N 1.43 3.62 -0.13 2.88 -1.94 0.21 -0.51 119.30 124.86 1ot6 s MET 109 Ca -0.01 -0.33 -0.08 0.00 -1.71 0.00 0.00 55.69 53.57 1ot6 s MET 109 Cb -0.16 -3.09 0.05 0.00 2.01 0.00 0.00 34.83 33.64 1ot6 s MET 109 CO -0.08 0.47 0.31 0.21 -0.01 0.00 0.00 175.02 175.92 1ot6 s LYS 110 N -0.21 0.30 0.31 2.03 2.20 -0.43 -1.23 119.74 122.71 1ot6 s LYS 110 Ca 0.07 0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 55.97 1ot6 s LYS 110 Cb -0.12 -0.02 -0.11 0.00 -1.51 0.00 0.00 37.83 36.07 1ot6 s LYS 110 CO 0.01 -0.13 1.50 0.21 -0.36 0.00 0.00 175.35 176.59 1ot6 s LYS 111 N 1.02 4.17 0.75 4.03 2.20 -0.44 -0.60 119.74 130.87 1ot6 s LYS 111 Ca -0.07 2.49 -0.13 0.00 -0.36 0.00 0.00 55.97 57.90 1ot6 s LYS 111 Cb -0.08 -3.03 0.05 0.00 -1.51 0.00 0.00 37.83 33.27 1ot6 s LYS 111 CO -0.07 -0.52 1.14 0.00 -0.36 0.00 0.00 175.35 175.54 1ot6 s ALA 112 N -0.44 2.13 0.06 3.13 0.00 0.13 -4.81 121.76 121.96 1ot6 s ALA 112 Ca 0.58 0.60 -0.26 0.00 0.00 0.00 0.00 51.96 52.88 1ot6 s ALA 112 Cb -0.45 -3.38 -0.17 0.00 0.00 0.00 0.00 23.12 19.12 1ot6 s ALA 112 CO 0.52 -1.85 1.59 1.25 0.00 0.00 0.00 175.76 177.28 1ot6 h LEU 113 N -0.68 -0.19-10.05 0.00 5.85 -1.88 -3.45 115.31 104.91 1ot6 h LEU 113 Ca -0.46 -0.08 -0.49 0.00 0.84 0.00 0.00 57.88 57.69 1ot6 h LEU 113 Cb 1.26 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.31 1ot6 h LEU 113 CO 0.50 -0.04 -0.45 -0.94 -0.34 0.00 0.00 178.44 177.16 1ot6 s SER 114 N -5.08 5.39 0.95 1.25 1.04 -1.26 -5.01 113.70 110.98 1ot6 s SER 114 Ca -0.14 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1ot6 s SER 114 Cb 0.04 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 65.10 1ot6 s SER 114 CO 0.64 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.16 1ot6 n GLY 115 N -1.37 2.50 2.25 7.32 0.00 -1.26 -4.29 105.19 110.34 1ot6 n GLY 115 Ca -0.03 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 1ot6 n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ot6 n ASP 116 N 0.35 0.09 -4.11 1.61 2.03 -1.26 -5.02 116.55 110.24 1ot6 n ASP 116 Ca 0.00 -2.63 -0.09 0.00 0.52 0.00 0.00 54.79 52.59 1ot6 n ASP 116 Cb 0.00 -0.62 -0.10 0.00 -0.72 0.00 0.00 41.12 39.69 1ot6 n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ot6 s SER 117 N -0.89 0.30 -0.03 1.67 1.04 -1.26 -3.94 113.70 110.59 1ot6 s SER 117 Ca 0.35 -1.13 0.01 0.00 0.48 0.00 0.00 55.95 55.65 1ot6 s SER 117 Cb 0.13 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.58 1ot6 s SER 117 CO -0.13 -0.73 -0.01 -0.31 0.98 0.00 0.00 173.24 173.04 1ot6 s TYR 118 N -4.02 0.34 0.09 5.02 1.51 0.26 -0.69 117.35 119.86 1ot6 s TYR 118 Ca 0.20 -0.02 -0.13 0.00 -1.01 0.00 0.00 57.07 56.12 1ot6 s TYR 118 Cb 0.07 -0.39 -0.06 0.00 -0.11 0.00 0.00 41.96 41.47 1ot6 s TYR 118 CO -0.00 -0.11 0.47 -1.58 -1.11 0.00 0.00 175.55 173.21 1ot6 s TRP 119 N 0.83 3.62 -0.20 2.71 0.52 0.23 -0.34 118.94 126.31 1ot6 s TRP 119 Ca -0.09 0.95 0.01 0.00 0.02 0.00 0.00 56.10 56.99 1ot6 s TRP 119 Cb -0.12 -2.27 0.04 0.00 -1.15 0.00 0.00 33.47 29.97 1ot6 s TRP 119 CO -0.01 0.51 -0.13 0.08 0.02 0.00 0.00 176.95 177.41 1ot6 s VAL 120 N -1.36 1.82 -0.04 4.03 1.01 0.24 -1.31 120.40 124.77 1ot6 s VAL 120 Ca 0.33 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1ot6 s VAL 120 Cb -0.15 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 1ot6 s VAL 120 CO 0.18 0.25 -0.07 -0.36 0.00 0.00 0.00 175.10 175.10 1ot6 s PHE 121 N 1.33 2.93 -0.00 5.22 0.08 0.33 -0.87 117.98 126.99 1ot6 s PHE 121 Ca -0.01 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.05 1ot6 s PHE 121 Cb -0.16 -1.68 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 1ot6 s PHE 121 CO -0.09 0.35 -0.01 0.08 -0.10 0.00 0.00 175.22 175.45 1ot6 s VAL 122 N -0.88 0.11 0.05 -0.44 1.01 -0.15 -0.50 120.40 119.60 1ot6 s VAL 122 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1ot6 s VAL 122 Cb -0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.12 1ot6 s VAL 122 CO 0.04 0.05 -0.05 -1.59 0.00 0.00 0.00 175.10 173.55 1ot6 s LYS 123 N 0.11 0.58 0.52 2.72 -2.85 -0.63 -0.51 119.74 119.68 1ot6 s LYS 123 Ca -0.01 -1.03 -0.20 0.00 -1.00 0.00 0.00 55.97 53.73 1ot6 s LYS 123 Cb -0.02 0.02 -0.06 0.00 -2.06 0.00 0.00 37.83 35.70 1ot6 s LYS 123 CO -0.00 -0.05 1.13 1.03 0.10 0.00 0.00 175.35 177.55 1ot6 s ARG 124 N -2.97 3.49 0.00 1.78 0.52 -1.26 -0.72 118.95 119.78 1ot6 s ARG 124 Ca 0.00 1.63 0.00 0.00 -0.52 0.00 0.00 55.73 56.84 1ot6 s ARG 124 Cb 0.00 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.37 1ot6 s ARG 124 CO -0.05 -0.74 0.36 1.33 0.02 0.00 0.00 175.30 176.22