#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ot9 s GLU 2 N 0.00 4.19 -1.02 0.03 0.41 0.95 -4.99 118.70 118.28 1ot9 s GLU 2 Ca 0.00 1.52 -0.05 0.00 -0.41 0.00 0.00 54.97 56.03 1ot9 s GLU 2 Cb 0.00 -2.57 0.26 0.00 -1.78 0.00 0.00 34.13 30.05 1ot9 s GLU 2 CO 0.00 -0.12 1.05 0.72 -0.49 0.00 0.00 175.26 176.42 1ot9 n HIS 3 N -0.02 4.37 -3.80 1.61 8.25 -1.26 -4.55 115.22 119.83 1ot9 n HIS 3 Ca 0.05 -3.79 -0.17 0.00 -0.26 0.00 0.00 57.72 53.55 1ot9 n HIS 3 Cb 0.49 -1.39 -0.16 0.00 1.12 0.00 0.00 29.99 30.05 1ot9 n HIS 3 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ot9 s VAL 4 N -1.63 0.01 0.08 1.59 1.01 -1.26 -5.15 120.40 115.05 1ot9 s VAL 4 Ca 0.30 0.21 -0.20 0.00 0.00 0.00 0.00 61.98 62.29 1ot9 s VAL 4 Cb -0.05 -0.16 -0.07 0.00 0.00 0.00 0.00 36.38 36.10 1ot9 s VAL 4 CO -0.06 0.12 0.61 0.00 0.00 0.00 0.00 175.10 175.77 1ot9 s ALA 5 N 1.27 3.56 0.22 5.51 0.00 -1.26 -4.67 121.76 126.39 1ot9 s ALA 5 Ca -0.07 0.09 -0.32 0.00 0.00 0.00 0.00 51.96 51.67 1ot9 s ALA 5 Cb -0.13 -2.70 -0.13 0.00 0.00 0.00 0.00 23.12 20.16 1ot9 s ALA 5 CO -0.03 0.36 1.50 0.34 0.00 0.00 0.00 175.76 177.93 1ot9 n PHE 6 N 1.79 2.31 -0.95 0.00 -0.00 -1.26 -2.13 117.46 117.23 1ot9 n PHE 6 Ca -0.09 0.34 0.00 0.00 -0.00 0.00 0.00 57.45 57.70 1ot9 n PHE 6 Cb 0.50 -2.51 0.00 0.00 -0.00 0.00 0.00 39.48 37.47 1ot9 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ot9 n GLY 7 N 2.61 0.66 3.74 7.13 0.00 -1.26 -5.02 105.19 113.04 1ot9 n GLY 7 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1ot9 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ot9 n SER 8 N 0.00 3.39 0.03 1.61 7.64 -0.90 -4.89 113.62 120.50 1ot9 n SER 8 Ca 0.00 1.20 0.04 0.00 1.01 0.00 0.00 58.87 61.12 1ot9 n SER 8 Cb 0.00 -1.56 0.44 0.00 -1.01 0.00 0.00 64.21 62.08 1ot9 n SER 8 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1ot9 h GLU 9 N 3.19 0.47 -0.40 1.43 4.57 -1.95 -2.59 114.58 119.29 1ot9 h GLU 9 Ca -0.48 -0.03 -0.21 0.00 -1.18 0.00 0.00 59.36 57.45 1ot9 h GLU 9 Cb 1.26 -0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 29.62 1ot9 h GLU 9 CO 0.67 0.33 -0.05 -0.25 -1.18 0.00 0.00 179.01 178.52 1ot9 n ASP 10 N -4.47 2.60 -0.27 1.04 8.00 -1.26 -4.73 116.55 117.46 1ot9 n ASP 10 Ca 0.02 -3.79 0.18 0.00 0.71 0.00 0.00 54.79 51.91 1ot9 n ASP 10 Cb 0.08 -0.65 0.47 0.00 -0.02 0.00 0.00 41.12 41.00 1ot9 n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1ot9 h ILE 11 N 1.02 0.68 -0.01 0.53 2.10 -1.84 -0.68 117.51 119.31 1ot9 h ILE 11 Ca 0.25 -0.17 -0.05 0.00 1.08 0.00 0.00 64.86 65.98 1ot9 h ILE 11 Cb 1.72 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 37.59 1ot9 h ILE 11 CO 0.45 0.09 -0.22 1.05 -1.08 0.00 0.00 178.15 178.44 1ot9 h GLU 12 N 0.48 0.02 -0.04 2.19 9.09 -1.86 -0.51 114.58 123.95 1ot9 h GLU 12 Ca 0.50 -0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.70 1ot9 h GLU 12 Cb 1.14 -0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.25 1ot9 h GLU 12 CO -0.22 0.24 -0.78 -0.91 0.05 0.00 0.00 179.01 177.38 1ot9 h ASN 13 N 0.02 0.77 -0.69 3.06 2.35 -1.51 -2.72 115.58 116.85 1ot9 h ASN 13 Ca 0.00 -0.71 -0.05 0.00 -0.55 0.00 0.00 56.30 54.99 1ot9 h ASN 13 Cb 0.40 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 1ot9 h ASN 13 CO 0.03 1.37 0.22 0.74 -1.65 0.00 0.00 177.43 178.13 1ot9 h THR 14 N 0.23 1.25 -0.00 2.81 2.02 -1.12 -2.86 112.91 115.25 1ot9 h THR 14 Ca -0.09 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.22 1ot9 h THR 14 Cb 1.45 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1ot9 h THR 14 CO 0.16 0.34 -0.07 0.18 0.37 0.00 0.00 175.52 176.49 1ot9 n LEU 15 N -4.32 0.14 0.29 2.58 4.32 -0.23 -3.41 117.00 116.38 1ot9 n LEU 15 Ca 0.05 0.29 0.19 0.00 -0.02 0.00 0.00 56.01 56.52 1ot9 n LEU 15 Cb 0.22 -0.34 1.00 0.00 -1.62 0.00 0.00 43.42 42.67 1ot9 n LEU 15 CO 0.41 0.03 1.08 0.00 -1.22 0.00 0.00 177.39 177.69 1ot9 h ALA 16 N 3.25 1.00 0.00 -1.18 0.00 -1.23 -2.73 119.26 118.38 1ot9 h ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ot9 h ALA 16 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1ot9 h ALA 16 CO 0.00 0.00 -0.49 0.36 0.00 0.00 0.00 179.25 179.12 1ot9 n LYS 17 N -2.88 0.21 -2.96 0.00 2.85 -1.22 -4.90 118.16 109.27 1ot9 n LYS 17 Ca -0.02 0.08 -0.41 0.00 -1.05 0.00 0.00 58.31 56.90 1ot9 n LYS 17 Cb 0.10 -1.65 -0.05 0.00 -0.65 0.00 0.00 35.03 32.78 1ot9 n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1ot9 s MET 18 N -3.12 4.17 0.96 -1.58 -1.94 -1.03 -5.04 119.30 111.73 1ot9 s MET 18 Ca 0.08 0.83 -0.16 0.00 -1.71 0.00 0.00 55.69 54.73 1ot9 s MET 18 Cb 0.14 -3.64 0.23 0.00 2.01 0.00 0.00 34.83 33.57 1ot9 s MET 18 CO 0.69 -0.46 1.16 -0.40 -0.01 0.00 0.00 175.02 176.00 1ot9 n ASP 19 N 5.83 -0.50 -0.30 3.03 3.85 -1.26 -4.72 116.55 122.48 1ot9 n ASP 19 Ca 0.04 -1.35 -0.05 0.00 -0.71 0.00 0.00 54.79 52.72 1ot9 n ASP 19 Cb 0.48 -0.93 0.07 0.00 -1.35 0.00 0.00 41.12 39.39 1ot9 n ASP 19 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1ot9 h ASP 20 N -1.88 1.04 -0.69 -1.12 5.19 -1.99 -0.38 116.42 116.58 1ot9 h ASP 20 Ca -0.39 -0.10 0.06 0.00 -0.62 0.00 0.00 57.03 55.97 1ot9 h ASP 20 Cb 1.11 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.30 1ot9 h ASP 20 CO 0.27 0.84 0.39 1.23 -3.12 0.00 0.00 179.24 178.85 1ot9 h GLY 21 N 1.15 1.01 1.09 2.75 0.00 -2.00 -2.05 103.07 105.02 1ot9 h GLY 21 Ca 0.29 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.26 1ot9 h GLY 21 CO -0.05 0.18 0.09 1.46 0.00 0.00 0.00 176.54 178.23 1ot9 h GLN 22 N 0.73 1.11 -0.32 4.80 4.20 -1.68 -2.81 115.11 121.14 1ot9 h GLN 22 Ca 0.30 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1ot9 h GLN 22 Cb 0.17 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1ot9 h GLN 22 CO -0.17 1.02 0.13 1.25 -0.67 0.00 0.00 178.83 180.39 1ot9 h LEU 23 N 1.04 0.39 -0.97 1.46 5.85 -0.74 0.16 115.31 122.50 1ot9 h LEU 23 Ca 0.20 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1ot9 h LEU 23 Cb 0.46 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1ot9 h LEU 23 CO 0.02 0.36 0.00 0.47 -0.34 0.00 0.00 178.44 178.94 1ot9 n ASP 24 N -4.41 0.56 -0.42 1.25 8.00 -0.80 -2.02 116.55 118.71 1ot9 n ASP 24 Ca 0.02 0.69 0.12 0.00 0.71 0.00 0.00 54.79 56.33 1ot9 n ASP 24 Cb 0.13 -0.79 0.51 0.00 -0.02 0.00 0.00 41.12 40.94 1ot9 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ot9 n GLY 25 N -0.66 -0.08 3.81 0.44 0.00 0.05 -4.63 105.19 104.11 1ot9 n GLY 25 Ca 0.00 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 1ot9 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ot9 s LEU 26 N -1.78 3.54 0.00 0.99 1.43 -0.86 -0.03 118.68 121.97 1ot9 s LEU 26 Ca 0.36 1.79 0.28 0.00 -1.03 0.00 0.00 54.13 55.53 1ot9 s LEU 26 Cb 0.19 -4.53 1.36 0.00 0.03 0.00 0.00 46.19 43.24 1ot9 s LEU 26 CO 0.30 -1.06 1.95 0.00 0.23 0.00 0.00 176.35 177.76 1ot9 n ALA 27 N -1.89 2.36 -2.21 4.21 0.00 -1.26 -4.73 120.51 116.99 1ot9 n ALA 27 Ca 0.08 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 1ot9 n ALA 27 Cb 0.53 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 1ot9 n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ot9 s PHE 28 N -2.66 1.06 0.40 0.00 -0.12 -1.26 -5.05 117.98 110.35 1ot9 s PHE 28 Ca 0.24 -0.99 -0.26 0.00 -0.05 0.00 0.00 56.93 55.87 1ot9 s PHE 28 Cb 0.19 -0.61 -0.09 0.00 -0.63 0.00 0.00 43.02 41.88 1ot9 s PHE 28 CO 0.44 -0.20 1.24 0.20 -0.05 0.00 0.00 175.22 176.85 1ot9 s GLY 29 N -3.11 2.91 -0.09 1.99 0.00 0.39 -4.61 107.32 104.80 1ot9 s GLY 29 Ca 0.19 1.12 -0.04 0.00 0.00 0.00 0.00 44.72 45.99 1ot9 s GLY 29 CO 0.00 1.68 0.21 0.00 0.00 0.00 0.00 173.10 174.99 1ot9 s ALA 30 N -1.31 -0.44 -0.04 3.20 0.00 -1.26 -0.96 121.76 120.94 1ot9 s ALA 30 Ca 0.56 0.88 0.04 0.00 0.00 0.00 0.00 51.96 53.44 1ot9 s ALA 30 Cb -0.35 -0.58 0.00 0.00 0.00 0.00 0.00 23.12 22.19 1ot9 s ALA 30 CO 0.45 -0.20 -0.15 0.42 0.00 0.00 0.00 175.76 176.28 1ot9 s ILE 31 N 1.27 1.27 -0.17 0.00 1.01 0.07 -1.50 121.20 123.15 1ot9 s ILE 31 Ca -0.09 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 59.90 1ot9 s ILE 31 Cb -0.11 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.23 1ot9 s ILE 31 CO -0.08 0.37 -0.02 -1.58 0.00 0.00 0.00 174.94 173.64 1ot9 s GLN 32 N 0.17 3.67 0.05 2.79 0.74 -0.46 -0.56 119.66 126.06 1ot9 s GLN 32 Ca -0.06 -0.51 0.06 0.00 0.05 0.00 0.00 55.36 54.91 1ot9 s GLN 32 Cb -0.12 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 30.98 1ot9 s GLN 32 CO 0.02 0.18 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.29 1ot9 s LEU 33 N 0.53 2.80 0.95 3.68 1.43 0.43 -0.21 118.68 128.29 1ot9 s LEU 33 Ca -0.02 -0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 52.55 1ot9 s LEU 33 Cb -0.14 -1.63 0.18 0.00 0.03 0.00 0.00 46.19 44.63 1ot9 s LEU 33 CO 0.02 0.24 1.29 1.51 0.23 0.00 0.00 176.35 179.65 1ot9 s ASP 34 N -1.62 3.26 0.19 2.29 1.47 -0.31 -0.69 116.67 121.27 1ot9 s ASP 34 Ca 0.16 0.38 0.21 0.00 1.18 0.00 0.00 52.55 54.48 1ot9 s ASP 34 Cb -0.11 -0.51 0.88 0.00 -0.34 0.00 0.00 42.92 42.85 1ot9 s ASP 34 CO 0.07 -2.65 1.63 0.61 0.68 0.00 0.00 175.17 175.52 1ot9 n GLY 35 N -3.56 -1.17 0.25 2.12 0.00 -1.26 -1.10 105.19 100.47 1ot9 n GLY 35 Ca 0.14 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.34 1ot9 n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ot9 n ASP 36 N -2.04 1.01 0.00 1.61 8.00 -1.26 -4.95 116.55 118.92 1ot9 n ASP 36 Ca 0.02 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.63 1ot9 n ASP 36 Cb 0.20 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1ot9 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ot9 n GLY 37 N 1.33 0.77 3.77 0.44 0.00 -0.25 -4.90 105.19 106.35 1ot9 n GLY 37 Ca 0.12 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 1ot9 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ot9 s ASN 38 N -2.12 7.32 -0.24 1.61 0.01 -1.26 -0.59 114.94 119.68 1ot9 s ASN 38 Ca 0.00 1.97 -0.26 0.00 -0.71 0.00 0.00 52.86 53.86 1ot9 s ASN 38 Cb 0.00 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.06 1ot9 s ASN 38 CO 0.00 -0.08 0.90 -0.63 -1.51 0.00 0.00 177.10 175.77 1ot9 s ILE 39 N -1.43 4.78 -0.18 0.60 1.01 -0.16 -1.16 121.20 124.67 1ot9 s ILE 39 Ca 0.48 1.71 0.02 0.00 0.00 0.00 0.00 60.65 62.86 1ot9 s ILE 39 Cb -0.23 -4.18 -0.22 0.00 0.01 0.00 0.00 42.46 37.83 1ot9 s ILE 39 CO 0.30 -0.11 0.12 0.18 0.00 0.00 0.00 174.94 175.43 1ot9 n LEU 40 N 6.12 2.29 -3.90 2.97 4.77 0.71 -0.70 117.00 129.26 1ot9 n LEU 40 Ca 0.08 0.07 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 1ot9 n LEU 40 Cb 0.47 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 40.75 1ot9 n LEU 40 CO 0.49 0.80 -0.22 -1.10 -1.33 0.00 0.00 177.39 176.03 1ot9 s GLN 41 N -2.54 0.47 -0.27 3.23 -0.21 -1.10 -4.91 119.66 114.33 1ot9 s GLN 41 Ca -0.24 -0.50 -0.07 0.00 0.02 0.00 0.00 55.36 54.56 1ot9 s GLN 41 Cb 0.08 0.19 0.13 0.00 1.00 0.00 0.00 33.01 34.41 1ot9 s GLN 41 CO 0.71 -0.11 0.56 -0.47 -2.12 0.00 0.00 175.29 173.87 1ot9 s TYR 42 N -1.61 -1.22 0.58 0.91 6.14 -1.26 -1.36 117.35 119.53 1ot9 s TYR 42 Ca -0.13 1.92 0.03 0.00 0.64 0.00 0.00 57.07 59.53 1ot9 s TYR 42 Cb -0.07 0.58 0.06 0.00 0.42 0.00 0.00 41.96 42.96 1ot9 s TYR 42 CO 0.00 -0.67 0.80 0.54 0.64 0.00 0.00 175.55 176.87 1ot9 s ASN 43 N 2.80 5.06 0.24 4.32 4.22 -0.56 -4.77 114.94 126.24 1ot9 s ASN 43 Ca 0.01 -0.32 -0.03 0.00 -2.14 0.00 0.00 52.86 50.38 1ot9 s ASN 43 Cb -0.13 -0.41 0.26 0.00 1.28 0.00 0.00 41.25 42.26 1ot9 s ASN 43 CO -0.18 -1.30 1.70 0.00 -2.04 0.00 0.00 177.10 175.28 1ot9 h ALA 44 N 0.03 1.00 -0.49 3.54 0.00 -1.84 -2.07 119.26 119.43 1ot9 h ALA 44 Ca -0.38 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.17 1ot9 h ALA 44 Cb 1.28 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1ot9 h ALA 44 CO 0.46 0.60 0.10 0.00 0.00 0.00 0.00 179.25 180.41 1ot9 h ALA 45 N 1.17 1.27 -0.35 0.00 0.00 -1.83 -0.56 119.26 118.96 1ot9 h ALA 45 Ca 0.13 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1ot9 h ALA 45 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ot9 h ALA 45 CO 0.03 0.51 0.08 1.49 0.00 0.00 0.00 179.25 181.36 1ot9 h GLU 46 N 0.72 0.57 -0.34 0.00 4.57 -1.71 -1.76 114.58 116.63 1ot9 h GLU 46 Ca 0.16 -0.14 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1ot9 h GLU 46 Cb 0.29 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1ot9 h GLU 46 CO 0.00 0.62 0.23 0.78 -1.18 0.00 0.00 179.01 179.46 1ot9 h GLY 47 N 0.42 0.40 1.30 1.92 0.00 -0.77 -0.76 103.07 105.57 1ot9 h GLY 47 Ca 0.11 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.16 1ot9 h GLY 47 CO 0.00 0.13 -0.35 -0.55 0.00 0.00 0.00 176.54 175.77 1ot9 h ASP 48 N 0.36 0.81 -0.52 0.19 3.32 -0.70 0.82 116.42 120.70 1ot9 h ASP 48 Ca 0.14 -0.35 -0.11 0.00 0.02 0.00 0.00 57.03 56.72 1ot9 h ASP 48 Cb 0.10 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1ot9 h ASP 48 CO -0.03 1.08 -0.11 0.40 -1.72 0.00 0.00 179.24 178.87 1ot9 h ILE 49 N 0.64 1.27 0.00 0.35 2.04 -0.57 -3.37 117.51 117.87 1ot9 h ILE 49 Ca 0.06 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1ot9 h ILE 49 Cb 0.89 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1ot9 h ILE 49 CO 0.08 0.44 -1.16 0.35 0.00 0.00 0.00 178.15 177.86 1ot9 n THR 50 N -4.18 0.00 -0.14 -0.27 -2.24 -0.36 -5.00 114.28 102.09 1ot9 n THR 50 Ca 0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1ot9 n THR 50 Cb 0.40 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1ot9 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ot9 n GLY 51 N 1.54 2.02 3.79 3.38 0.00 0.28 -4.98 105.19 111.22 1ot9 n GLY 51 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1ot9 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ot9 s ARG 52 N -0.24 3.60 -0.31 1.61 3.00 -1.24 -4.99 118.95 120.38 1ot9 s ARG 52 Ca 0.00 1.47 -0.20 0.00 0.00 0.00 0.00 55.73 56.99 1ot9 s ARG 52 Cb 0.00 -2.05 -0.01 0.00 0.00 0.00 0.00 34.95 32.89 1ot9 s ARG 52 CO 0.00 -0.62 0.63 0.34 0.00 0.00 0.00 175.30 175.65 1ot9 s ASP 53 N -1.90 6.48 0.20 0.23 3.68 -1.26 -4.39 116.67 119.72 1ot9 s ASP 53 Ca 0.70 0.39 -0.11 0.00 2.13 0.00 0.00 52.55 55.66 1ot9 s ASP 53 Cb -0.20 -2.33 0.27 0.00 -1.45 0.00 0.00 42.92 39.21 1ot9 s ASP 53 CO 0.23 -0.49 1.71 -0.65 0.13 0.00 0.00 175.17 176.10 1ot9 h PRO 54 N 8.22 0.27 0.00 4.34 0.11 -1.89 -0.32 132.00 142.73 1ot9 h PRO 54 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ot9 h PRO 54 Cb 1.12 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1ot9 h PRO 54 CO 0.80 0.18 0.00 0.87 -0.21 0.00 0.00 178.00 179.64 1ot9 h LYS 55 N 0.27 0.00 0.00 1.05 1.57 -1.94 -2.15 116.57 115.38 1ot9 h LYS 55 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1ot9 h LYS 55 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1ot9 h LYS 55 CO -0.37 0.00 -0.38 1.96 -0.57 0.00 0.00 179.45 180.09 1ot9 h GLN 56 N 0.00 0.00 0.00 3.15 4.20 -1.47 -3.34 115.11 117.65 1ot9 h GLN 56 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ot9 h GLN 56 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ot9 h GLN 56 CO 0.00 0.00 -1.96 1.33 -0.67 0.00 0.00 178.83 177.53 1ot9 n VAL 57 N -2.29 0.00 -1.85 -0.54 0.24 -0.85 -4.83 118.33 108.21 1ot9 n VAL 57 Ca 0.04 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.44 1ot9 n VAL 57 Cb 0.45 0.02 -0.02 0.00 -1.47 0.00 0.00 33.84 32.82 1ot9 n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ot9 s ILE 58 N -3.47 2.31 0.00 1.34 1.01 -0.95 -1.04 121.20 120.40 1ot9 s ILE 58 Ca -0.08 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.82 1ot9 s ILE 58 Cb 0.14 -3.15 0.00 0.00 0.01 0.00 0.00 42.46 39.45 1ot9 s ILE 58 CO 0.88 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.46 1ot9 n GLY 59 N 2.97 2.06 3.89 6.18 0.00 0.12 -4.98 105.19 115.42 1ot9 n GLY 59 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1ot9 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ot9 s LYS 60 N -0.81 3.51 -0.22 1.61 1.02 -0.20 -4.69 119.74 119.96 1ot9 s LYS 60 Ca 0.00 0.46 -0.22 0.00 0.02 0.00 0.00 55.97 56.23 1ot9 s LYS 60 Cb 0.00 -2.22 -0.02 0.00 -0.52 0.00 0.00 37.83 35.07 1ot9 s LYS 60 CO 0.00 -0.44 0.69 1.21 -0.92 0.00 0.00 175.35 175.89 1ot9 s ASN 61 N -4.16 6.71 0.18 2.83 3.84 -1.26 -0.99 114.94 122.09 1ot9 s ASN 61 Ca 0.52 0.87 -0.13 0.00 0.21 0.00 0.00 52.86 54.33 1ot9 s ASN 61 Cb -0.11 -2.37 0.09 0.00 -0.55 0.00 0.00 41.25 38.31 1ot9 s ASN 61 CO 0.49 -0.36 1.84 0.15 -2.79 0.00 0.00 177.10 176.43 1ot9 h PHE 62 N 7.62 0.75 0.03 0.43 3.57 -1.19 -0.88 116.94 127.26 1ot9 h PHE 62 Ca -0.28 0.01 -0.27 0.00 3.53 0.00 0.00 57.97 60.96 1ot9 h PHE 62 Cb 1.13 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1ot9 h PHE 62 CO 0.73 0.49 -1.41 0.74 -2.23 0.00 0.00 178.31 176.63 1ot9 h PHE 63 N 0.80 0.10 0.10 0.41 0.04 -1.83 0.21 116.94 116.77 1ot9 h PHE 63 Ca 0.21 -0.07 -0.16 0.00 2.80 0.00 0.00 57.97 60.75 1ot9 h PHE 63 Cb -0.07 -0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.09 1ot9 h PHE 63 CO -0.03 1.09 -0.76 -0.22 -0.60 0.00 0.00 178.31 177.79 1ot9 h LYS 64 N 0.02 0.22 0.00 1.51 3.64 -1.88 -3.37 116.57 116.71 1ot9 h LYS 64 Ca -0.18 -0.37 -0.21 0.00 -1.27 0.00 0.00 60.65 58.63 1ot9 h LYS 64 Cb 1.92 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.85 1ot9 h LYS 64 CO 0.11 1.18 -1.71 -0.25 -2.27 0.00 0.00 179.45 176.51 1ot9 n ASP 65 N -4.21 1.19 0.09 4.20 8.00 -0.38 -4.73 116.55 120.72 1ot9 n ASP 65 Ca -0.16 0.13 -0.22 0.00 0.71 0.00 0.00 54.79 55.25 1ot9 n ASP 65 Cb 0.76 -0.35 -0.15 0.00 -0.02 0.00 0.00 41.12 41.36 1ot9 n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1ot9 h VAL 66 N -0.39 1.41 -1.95 2.53 2.07 -1.39 -3.41 116.25 115.12 1ot9 h VAL 66 Ca -0.32 -2.60 -0.51 0.00 0.82 0.00 0.00 66.70 64.10 1ot9 h VAL 66 Cb 1.30 3.12 -0.41 0.00 -1.52 0.00 0.00 31.29 33.79 1ot9 h VAL 66 CO -0.18 0.75 -1.01 0.00 0.02 0.00 0.00 177.57 177.16 1ot9 n ALA 67 N -2.69 3.13 0.29 1.67 0.00 0.72 -4.91 120.51 118.72 1ot9 n ALA 67 Ca -0.15 -3.81 0.16 0.00 0.00 0.00 0.00 53.44 49.63 1ot9 n ALA 67 Cb 0.94 -0.85 0.91 0.00 0.00 0.00 0.00 19.45 20.46 1ot9 n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ot9 h PRO 68 N 2.97 0.00 0.00 0.00 0.13 -1.75 -0.30 132.00 133.05 1ot9 h PRO 68 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1ot9 h PRO 68 Cb 0.85 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1ot9 h PRO 68 CO 0.62 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.39 1ot9 n THR 70 N -3.04 0.00 -2.76 0.00 -2.24 -0.13 -4.71 114.28 101.40 1ot9 n THR 70 Ca -0.02 -0.11 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 1ot9 n THR 70 Cb 0.16 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 1ot9 n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ot9 s ASP 71 N -2.57 6.74 0.15 3.42 2.15 -0.12 -1.04 116.67 125.40 1ot9 s ASP 71 Ca 0.23 -2.19 -0.23 0.00 0.43 0.00 0.00 52.55 50.79 1ot9 s ASP 71 Cb 0.19 -2.48 0.07 0.00 -0.30 0.00 0.00 42.92 40.40 1ot9 s ASP 71 CO 0.54 -1.13 0.61 -0.94 -0.17 0.00 0.00 175.17 174.09 1ot9 s SER 72 N 3.92 -0.56 0.51 -0.34 1.04 -1.26 -4.97 113.70 112.04 1ot9 s SER 72 Ca 0.43 -0.01 0.16 0.00 0.48 0.00 0.00 55.95 57.01 1ot9 s SER 72 Cb -0.01 0.59 1.23 0.00 0.10 0.00 0.00 66.02 67.93 1ot9 s SER 72 CO -0.04 -0.96 2.11 -0.65 0.98 0.00 0.00 173.24 174.69 1ot9 h PRO 73 N 2.00 0.07 0.00 4.02 0.11 -1.94 -0.08 132.00 136.18 1ot9 h PRO 73 Ca -0.33 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1ot9 h PRO 73 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1ot9 h PRO 73 CO 0.37 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.60 1ot9 n GLU 74 N -4.51 0.12 0.00 1.05 4.71 -1.26 -3.14 120.64 117.60 1ot9 n GLU 74 Ca -0.00 0.23 0.00 0.00 -0.01 0.00 0.00 57.16 57.37 1ot9 n GLU 74 Cb 0.16 -1.67 0.00 0.00 -1.01 0.00 0.00 31.44 28.92 1ot9 n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ot9 n PHE 75 N -1.88 0.00 -0.32 -0.32 -0.00 -1.00 -4.74 117.46 109.19 1ot9 n PHE 75 Ca 0.04 0.00 0.10 0.00 -0.00 0.00 0.00 57.45 57.59 1ot9 n PHE 75 Cb 0.29 0.14 0.31 0.00 -0.00 0.00 0.00 39.48 40.22 1ot9 n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1ot9 h TYR 76 N 0.00 1.00 -0.60 -5.13 3.20 -0.53 -1.15 116.97 113.77 1ot9 h TYR 76 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1ot9 h TYR 76 Cb 0.00 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 1ot9 h TYR 76 CO 0.00 0.36 0.31 0.78 -1.64 0.00 0.00 178.16 177.97 1ot9 h GLY 77 N 0.84 0.88 0.92 1.82 0.00 -1.02 0.91 103.07 107.43 1ot9 h GLY 77 Ca 0.49 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1ot9 h GLY 77 CO -0.26 0.38 -0.05 0.50 0.00 0.00 0.00 176.54 177.12 1ot9 h LYS 78 N 0.83 0.63 0.01 4.80 1.57 -1.20 -1.92 116.57 121.29 1ot9 h LYS 78 Ca 0.21 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1ot9 h LYS 78 Cb 0.05 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1ot9 h LYS 78 CO -0.03 0.78 -0.17 0.35 -0.57 0.00 0.00 179.45 179.81 1ot9 h PHE 79 N 0.43 -0.45 -0.00 -1.35 3.57 -0.56 -1.33 116.94 117.25 1ot9 h PHE 79 Ca 0.09 0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 1ot9 h PHE 79 Cb 0.53 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1ot9 h PHE 79 CO 0.04 -0.25 -0.59 1.57 -2.23 0.00 0.00 178.31 176.85 1ot9 h LYS 80 N -0.28 0.01 -0.55 1.11 5.09 -0.80 0.09 116.57 121.23 1ot9 h LYS 80 Ca 0.05 -0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.78 1ot9 h LYS 80 Cb 0.35 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 32.66 1ot9 h LYS 80 CO -0.16 0.60 0.30 1.49 -2.09 0.00 0.00 179.45 179.59 1ot9 h GLU 81 N 0.00 0.77 -0.69 0.07 4.22 -1.20 -0.44 114.58 117.31 1ot9 h GLU 81 Ca -0.01 -0.09 -0.07 0.00 0.08 0.00 0.00 59.36 59.28 1ot9 h GLU 81 Cb 1.05 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1ot9 h GLU 81 CO 0.08 0.59 0.15 0.78 -2.18 0.00 0.00 179.01 178.43 1ot9 h GLY 82 N 0.74 1.20 0.98 1.92 0.00 -0.31 -0.58 103.07 107.00 1ot9 h GLY 82 Ca 0.19 -0.76 0.01 0.00 0.00 0.00 0.00 47.33 46.77 1ot9 h GLY 82 CO -0.03 0.71 0.14 -2.08 0.00 0.00 0.00 176.54 175.27 1ot9 h VAL 83 N 1.04 1.04 -0.63 4.60 2.07 -0.88 0.12 116.25 123.62 1ot9 h VAL 83 Ca 0.21 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 1ot9 h VAL 83 Cb 0.39 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1ot9 h VAL 83 CO 0.01 0.05 0.24 0.00 0.02 0.00 0.00 177.57 177.89 1ot9 h ALA 84 N 1.09 1.24 0.00 1.67 0.00 -0.82 -2.41 119.26 120.04 1ot9 h ALA 84 Ca 0.08 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1ot9 h ALA 84 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1ot9 h ALA 84 CO -0.03 0.55 -0.32 0.77 0.00 0.00 0.00 179.25 180.23 1ot9 h SER 85 N 0.91 0.00 -0.73 0.00 0.02 -0.87 -3.48 113.55 109.40 1ot9 h SER 85 Ca 0.21 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.02 1ot9 h SER 85 Cb 0.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1ot9 h SER 85 CO -0.02 0.32 -0.16 0.61 -1.14 0.00 0.00 176.83 176.44 1ot9 n GLY 86 N 1.10 0.42 3.35 -3.77 0.00 0.35 -5.04 105.19 101.60 1ot9 n GLY 86 Ca 0.02 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 1ot9 n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ot9 s ASN 87 N -2.78 -0.53 -0.24 1.61 0.01 -0.85 -5.03 114.94 107.13 1ot9 s ASN 87 Ca 0.00 0.96 -0.14 0.00 -0.71 0.00 0.00 52.86 52.97 1ot9 s ASN 87 Cb 0.00 0.91 0.07 0.00 0.41 0.00 0.00 41.25 42.64 1ot9 s ASN 87 CO 0.00 -0.18 0.59 -0.22 -1.51 0.00 0.00 177.10 175.78 1ot9 s LEU 88 N 0.79 -0.67 -0.33 0.60 2.96 -1.26 -4.34 118.68 116.44 1ot9 s LEU 88 Ca -0.04 1.31 0.06 0.00 -0.22 0.00 0.00 54.13 55.24 1ot9 s LEU 88 Cb -0.05 2.03 0.19 0.00 0.50 0.00 0.00 46.19 48.86 1ot9 s LEU 88 CO -0.06 -0.22 0.58 0.21 -1.32 0.00 0.00 176.35 175.54 1ot9 s ASN 89 N 1.59 -1.41 -0.04 3.68 2.47 -1.24 -1.26 114.94 118.72 1ot9 s ASN 89 Ca -0.10 -0.17 -0.07 0.00 0.42 0.00 0.00 52.86 52.95 1ot9 s ASN 89 Cb -0.06 1.92 0.01 0.00 -1.45 0.00 0.00 41.25 41.67 1ot9 s ASN 89 CO -0.18 -0.27 0.17 0.28 -3.72 0.00 0.00 177.10 173.38 1ot9 s THR 90 N 2.50 0.03 -0.05 -5.21 -1.32 -0.36 -5.01 115.64 106.22 1ot9 s THR 90 Ca 0.12 -0.23 0.02 0.00 -1.21 0.00 0.00 61.69 60.39 1ot9 s THR 90 Cb -0.09 -0.32 0.01 0.00 -1.51 0.00 0.00 72.50 70.60 1ot9 s THR 90 CO -0.20 -0.13 -0.10 -0.32 -2.21 0.00 0.00 174.62 171.66 1ot9 s MET 91 N -0.41 1.33 0.01 7.08 1.75 -1.26 -0.59 119.30 127.22 1ot9 s MET 91 Ca -0.05 -0.32 -0.24 0.00 -1.25 0.00 0.00 55.69 53.84 1ot9 s MET 91 Cb -0.03 -1.16 0.05 0.00 2.84 0.00 0.00 34.83 36.52 1ot9 s MET 91 CO 0.01 0.02 0.53 -0.59 -0.65 0.00 0.00 175.02 174.34 1ot9 s PHE 92 N 0.62 -0.45 0.46 4.11 -0.71 -0.05 -4.98 117.98 116.99 1ot9 s PHE 92 Ca -0.12 0.63 -0.14 0.00 -1.04 0.00 0.00 56.93 56.26 1ot9 s PHE 92 Cb -0.14 0.32 -0.07 0.00 -1.21 0.00 0.00 43.02 41.91 1ot9 s PHE 92 CO 0.02 -0.59 0.89 -1.21 -1.34 0.00 0.00 175.22 173.00 1ot9 s GLU 93 N -1.86 3.89 0.15 1.99 2.02 -1.26 -0.30 118.70 123.33 1ot9 s GLU 93 Ca -0.09 0.76 -0.20 0.00 0.02 0.00 0.00 54.97 55.47 1ot9 s GLU 93 Cb -0.01 -2.24 0.05 0.00 0.10 0.00 0.00 34.13 32.03 1ot9 s GLU 93 CO 0.03 -0.16 0.52 -0.47 0.02 0.00 0.00 175.26 175.20 1ot9 s TYR 94 N -2.50 -0.38 -0.15 1.61 5.04 -0.28 -4.91 117.35 115.78 1ot9 s TYR 94 Ca 0.56 0.12 -0.00 0.00 -2.44 0.00 0.00 57.07 55.30 1ot9 s TYR 94 Cb -0.10 0.44 -0.01 0.00 0.35 0.00 0.00 41.96 42.64 1ot9 s TYR 94 CO 0.30 -0.81 -0.13 0.99 -1.34 0.00 0.00 175.55 174.57 1ot9 s THR 95 N -3.78 2.93 -0.25 4.34 2.01 -1.26 -0.78 115.64 118.84 1ot9 s THR 95 Ca 0.02 -0.69 -0.14 0.00 0.31 0.00 0.00 61.69 61.20 1ot9 s THR 95 Cb -0.00 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1ot9 s THR 95 CO -0.12 0.51 0.32 -0.36 -0.69 0.00 0.00 174.62 174.28 1ot9 s PHE 96 N 0.66 3.29 0.00 4.92 0.08 -0.19 -4.90 117.98 121.83 1ot9 s PHE 96 Ca -0.07 0.39 0.00 0.00 0.12 0.00 0.00 56.93 57.38 1ot9 s PHE 96 Cb -0.15 -2.48 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 1ot9 s PHE 96 CO 0.02 -0.11 0.87 -0.40 -0.10 0.00 0.00 175.22 175.51 1ot9 n ASP 97 N 4.88 0.00 -4.57 1.36 5.68 -1.26 -1.08 116.55 121.56 1ot9 n ASP 97 Ca -0.10 -1.76 -0.41 0.00 -0.50 0.00 0.00 54.79 52.01 1ot9 n ASP 97 Cb 0.51 -0.15 -0.07 0.00 -1.14 0.00 0.00 41.12 40.27 1ot9 n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ot9 s TYR 98 N 0.00 3.18 -1.54 2.11 5.04 -1.26 -4.18 117.35 120.70 1ot9 s TYR 98 Ca 0.00 0.34 -0.10 0.00 -2.44 0.00 0.00 57.07 54.86 1ot9 s TYR 98 Cb 0.00 -2.99 0.08 0.00 0.35 0.00 0.00 41.96 39.40 1ot9 s TYR 98 CO 0.00 -0.53 0.72 1.04 -1.34 0.00 0.00 175.55 175.43 1ot9 n GLN 99 N 5.84 -3.92 -3.49 4.97 1.13 -1.26 -4.93 117.38 115.72 1ot9 n GLN 99 Ca -0.03 0.46 -0.11 0.00 -1.94 0.00 0.00 57.00 55.38 1ot9 n GLN 99 Cb 0.49 -5.03 -0.02 0.00 0.11 0.00 0.00 30.24 25.79 1ot9 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ot9 s MET 100 N -6.67 1.31 0.21 -1.09 0.23 -1.26 -5.11 119.30 106.93 1ot9 s MET 100 Ca 0.44 -0.53 -0.32 0.00 -1.03 0.00 0.00 55.69 54.25 1ot9 s MET 100 Cb -0.23 0.58 -0.12 0.00 -1.53 0.00 0.00 34.83 33.53 1ot9 s MET 100 CO 0.88 -0.58 1.73 0.99 -2.03 0.00 0.00 175.02 176.01 1ot9 s THR 101 N -3.72 2.01 0.16 3.16 2.01 -1.26 -4.77 115.64 113.23 1ot9 s THR 101 Ca 0.03 0.00 -0.33 0.00 0.31 0.00 0.00 61.69 61.70 1ot9 s THR 101 Cb -0.02 -3.00 -0.13 0.00 0.01 0.00 0.00 72.50 69.36 1ot9 s THR 101 CO -0.10 0.00 1.67 -2.65 -0.69 0.00 0.00 174.62 172.85 1ot9 n PRO 102 N 4.01 2.41 -3.91 4.92 -0.02 -1.26 -4.76 135.00 136.39 1ot9 n PRO 102 Ca 0.16 0.87 -0.28 0.00 -2.02 0.00 0.00 63.50 62.23 1ot9 n PRO 102 Cb 0.35 -2.68 -0.17 0.00 -0.02 0.00 0.00 33.50 30.98 1ot9 n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ot9 s THR 103 N 1.34 1.12 0.00 3.45 2.01 -0.24 -4.96 115.64 118.36 1ot9 s THR 103 Ca 0.79 -0.52 -0.25 0.00 0.31 0.00 0.00 61.69 62.02 1ot9 s THR 103 Cb -0.61 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.63 1ot9 s THR 103 CO 0.37 0.24 0.77 -0.75 -0.69 0.00 0.00 174.62 174.55 1ot9 s LYS 104 N 1.64 4.48 0.17 4.92 2.20 -1.26 -1.02 119.74 130.87 1ot9 s LYS 104 Ca 0.02 1.04 0.01 0.00 -0.36 0.00 0.00 55.97 56.68 1ot9 s LYS 104 Cb -0.14 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 1ot9 s LYS 104 CO -0.08 0.17 0.03 0.14 -0.36 0.00 0.00 175.35 175.25 1ot9 s VAL 105 N 0.36 0.45 -0.18 4.02 -7.23 0.04 -2.66 120.40 115.19 1ot9 s VAL 105 Ca 0.40 -1.96 -0.07 0.00 -1.81 0.00 0.00 61.98 58.54 1ot9 s VAL 105 Cb -0.20 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 1ot9 s VAL 105 CO 0.22 -0.42 0.06 -0.75 -0.31 0.00 0.00 175.10 173.90 1ot9 s LYS 106 N -3.98 3.96 -0.09 4.82 2.20 0.26 -1.13 119.74 125.77 1ot9 s LYS 106 Ca 0.26 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.52 1ot9 s LYS 106 Cb 0.07 -3.21 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 1ot9 s LYS 106 CO 0.04 0.26 -0.12 0.08 -0.36 0.00 0.00 175.35 175.25 1ot9 s VAL 107 N 0.40 3.23 -0.19 4.02 1.01 0.59 -1.46 120.40 128.00 1ot9 s VAL 107 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1ot9 s VAL 107 Cb -0.13 -2.32 0.04 0.00 0.00 0.00 0.00 36.38 33.97 1ot9 s VAL 107 CO 0.00 0.56 -0.09 -2.28 0.00 0.00 0.00 175.10 173.30 1ot9 s HIS 108 N -0.22 2.19 -0.14 5.22 2.46 0.26 -0.87 115.29 124.19 1ot9 s HIS 108 Ca 0.01 -1.43 -0.06 0.00 0.47 0.00 0.00 55.06 54.05 1ot9 s HIS 108 Cb -0.13 -1.54 -0.04 0.00 -0.13 0.00 0.00 32.58 30.74 1ot9 s HIS 108 CO 0.03 -0.70 0.06 -1.64 -2.47 0.00 0.00 174.74 170.02 1ot9 s MET 109 N 1.47 3.61 -0.12 2.88 -1.94 0.25 -0.48 119.30 124.97 1ot9 s MET 109 Ca -0.01 -0.31 -0.08 0.00 -1.71 0.00 0.00 55.69 53.59 1ot9 s MET 109 Cb -0.16 -3.10 0.04 0.00 2.01 0.00 0.00 34.83 33.62 1ot9 s MET 109 CO -0.08 0.50 0.29 0.21 -0.01 0.00 0.00 175.02 175.93 1ot9 s LYS 110 N -0.27 0.28 0.32 2.03 2.20 -0.48 -1.22 119.74 122.61 1ot9 s LYS 110 Ca 0.08 0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 55.93 1ot9 s LYS 110 Cb -0.12 -0.00 -0.11 0.00 -1.51 0.00 0.00 37.83 36.09 1ot9 s LYS 110 CO 0.01 -0.12 1.43 0.21 -0.36 0.00 0.00 175.35 176.52 1ot9 s LYS 111 N 0.88 4.23 0.77 4.03 2.20 -0.39 -0.60 119.74 130.85 1ot9 s LYS 111 Ca -0.06 2.38 -0.12 0.00 -0.36 0.00 0.00 55.97 57.82 1ot9 s LYS 111 Cb -0.07 -3.05 0.06 0.00 -1.51 0.00 0.00 37.83 33.26 1ot9 s LYS 111 CO -0.06 -0.40 1.11 0.00 -0.36 0.00 0.00 175.35 175.64 1ot9 s ALA 112 N -0.72 2.17 0.05 3.13 0.00 0.13 -4.82 121.76 121.70 1ot9 s ALA 112 Ca 0.54 0.42 -0.26 0.00 0.00 0.00 0.00 51.96 52.67 1ot9 s ALA 112 Cb -0.43 -3.32 -0.17 0.00 0.00 0.00 0.00 23.12 19.19 1ot9 s ALA 112 CO 0.53 -1.83 1.51 1.25 0.00 0.00 0.00 175.76 177.22 1ot9 h LEU 113 N -0.94 -0.24-10.17 0.00 7.12 -1.88 -3.45 115.31 105.75 1ot9 h LEU 113 Ca -0.44 -0.12 -0.49 0.00 0.13 0.00 0.00 57.88 56.96 1ot9 h LEU 113 Cb 1.24 0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 41.43 1ot9 h LEU 113 CO 0.50 -0.02 -0.31 -0.94 -0.13 0.00 0.00 178.44 177.53 1ot9 s SER 114 N -5.09 6.33 0.67 1.25 1.04 -1.26 -5.00 113.70 111.65 1ot9 s SER 114 Ca -0.15 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1ot9 s SER 114 Cb 0.04 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 64.19 1ot9 s SER 114 CO 0.62 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.31 1ot9 n GLY 115 N -1.34 1.63 2.40 7.32 0.00 -1.26 -4.29 105.19 109.64 1ot9 n GLY 115 Ca -0.06 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 1ot9 n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ot9 n ASP 116 N 0.78 -0.68 -3.96 1.61 2.03 -1.26 -5.02 116.55 110.04 1ot9 n ASP 116 Ca 0.00 -2.46 -0.09 0.00 0.52 0.00 0.00 54.79 52.76 1ot9 n ASP 116 Cb 0.00 -0.35 -0.07 0.00 -0.72 0.00 0.00 41.12 39.97 1ot9 n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ot9 s SER 117 N -0.04 0.10 -0.03 1.67 1.04 -1.26 -4.09 113.70 111.10 1ot9 s SER 117 Ca 0.33 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 55.90 1ot9 s SER 117 Cb 0.05 0.39 0.02 0.00 0.10 0.00 0.00 66.02 66.59 1ot9 s SER 117 CO -0.18 -0.83 -0.01 -0.31 0.98 0.00 0.00 173.24 172.89 1ot9 s TYR 118 N -3.95 0.36 0.09 5.02 1.51 0.13 -0.70 117.35 119.82 1ot9 s TYR 118 Ca 0.15 -0.03 -0.14 0.00 -1.01 0.00 0.00 57.07 56.04 1ot9 s TYR 118 Cb 0.04 -0.42 -0.06 0.00 -0.11 0.00 0.00 41.96 41.41 1ot9 s TYR 118 CO -0.03 -0.12 0.49 -1.58 -1.11 0.00 0.00 175.55 173.20 1ot9 s TRP 119 N 0.89 3.65 -0.21 2.71 0.52 0.23 -0.43 118.94 126.30 1ot9 s TRP 119 Ca -0.09 1.02 0.02 0.00 0.02 0.00 0.00 56.10 57.06 1ot9 s TRP 119 Cb -0.13 -2.33 0.04 0.00 -1.15 0.00 0.00 33.47 29.91 1ot9 s TRP 119 CO -0.01 0.51 -0.13 0.08 0.02 0.00 0.00 176.95 177.42 1ot9 s VAL 120 N -1.32 1.91 -0.03 4.03 1.01 0.27 -1.38 120.40 124.89 1ot9 s VAL 120 Ca 0.33 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1ot9 s VAL 120 Cb -0.16 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1ot9 s VAL 120 CO 0.18 0.20 -0.02 -0.36 0.00 0.00 0.00 175.10 175.09 1ot9 s PHE 121 N 1.28 3.05 -0.01 5.22 0.08 0.36 -0.75 117.98 127.21 1ot9 s PHE 121 Ca -0.02 0.08 -0.00 0.00 0.12 0.00 0.00 56.93 57.10 1ot9 s PHE 121 Cb -0.17 -1.69 0.01 0.00 -0.57 0.00 0.00 43.02 40.61 1ot9 s PHE 121 CO -0.08 0.43 0.02 0.08 -0.10 0.00 0.00 175.22 175.57 1ot9 s VAL 122 N -1.00 -0.03 0.05 -0.44 1.01 -0.13 -0.57 120.40 119.29 1ot9 s VAL 122 Ca 0.17 0.10 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1ot9 s VAL 122 Cb -0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 1ot9 s VAL 122 CO 0.07 0.04 -0.04 -1.59 0.00 0.00 0.00 175.10 173.58 1ot9 s LYS 123 N 0.49 0.54 0.49 2.72 -2.85 -0.54 -0.46 119.74 120.13 1ot9 s LYS 123 Ca -0.04 -1.01 -0.22 0.00 -1.00 0.00 0.00 55.97 53.70 1ot9 s LYS 123 Cb -0.06 0.08 -0.07 0.00 -2.06 0.00 0.00 37.83 35.72 1ot9 s LYS 123 CO -0.01 -0.07 1.17 1.03 0.10 0.00 0.00 175.35 177.57 1ot9 s ARG 124 N -2.96 3.58 0.00 1.78 0.52 -1.26 -0.58 118.95 120.03 1ot9 s ARG 124 Ca -0.01 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 56.96 1ot9 s ARG 124 Cb 0.01 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.21 1ot9 s ARG 124 CO -0.06 -0.69 0.36 1.33 0.02 0.00 0.00 175.30 176.26