#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ota s GLU 2 N 0.00 4.26 -0.37 2.12 0.41 -0.01 -5.01 118.70 120.09 1ota s GLU 2 Ca 0.00 0.68 -0.11 0.00 -0.41 0.00 0.00 54.97 55.13 1ota s GLU 2 Cb 0.00 -3.55 0.03 0.00 -1.78 0.00 0.00 34.13 28.83 1ota s GLU 2 CO 0.00 -0.18 0.20 -1.01 -0.49 0.00 0.00 175.26 173.78 1ota s HIS 3 N 1.70 3.25 -0.03 1.61 3.76 -1.26 -4.57 115.29 119.75 1ota s HIS 3 Ca 0.31 -0.99 -0.01 0.00 -0.15 0.00 0.00 55.06 54.22 1ota s HIS 3 Cb -0.16 -2.43 0.03 0.00 1.11 0.00 0.00 32.58 31.12 1ota s HIS 3 CO 0.12 -0.65 0.06 0.08 -0.85 0.00 0.00 174.74 173.49 1ota s VAL 4 N 1.55 -0.05 0.03 -0.90 1.01 -1.26 -5.15 120.40 115.63 1ota s VAL 4 Ca 0.02 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 1ota s VAL 4 Cb -0.19 -0.12 -0.06 0.00 0.00 0.00 0.00 36.38 36.01 1ota s VAL 4 CO 0.06 0.07 0.45 0.00 0.00 0.00 0.00 175.10 175.69 1ota s ALA 5 N 0.95 3.67 0.22 5.51 0.00 -1.26 -4.71 121.76 126.14 1ota s ALA 5 Ca -0.08 -0.17 -0.32 0.00 0.00 0.00 0.00 51.96 51.39 1ota s ALA 5 Cb -0.11 -2.44 -0.13 0.00 0.00 0.00 0.00 23.12 20.45 1ota s ALA 5 CO -0.03 0.47 1.54 0.34 0.00 0.00 0.00 175.76 178.07 1ota n PHE 6 N 1.68 2.40 -0.66 0.00 -0.00 -1.26 -2.04 117.46 117.58 1ota n PHE 6 Ca -0.12 0.30 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 1ota n PHE 6 Cb 0.52 -2.54 0.00 0.00 -0.00 0.00 0.00 39.48 37.46 1ota n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ota n GLY 7 N 2.79 0.83 3.70 7.13 0.00 -1.26 -5.02 105.19 113.36 1ota n GLY 7 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1ota n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ota n SER 8 N 0.00 2.99 0.21 1.61 7.64 -0.87 -4.90 113.62 120.30 1ota n SER 8 Ca 0.00 1.18 0.05 0.00 1.01 0.00 0.00 58.87 61.11 1ota n SER 8 Cb 0.00 -1.49 0.49 0.00 -1.01 0.00 0.00 64.21 62.19 1ota n SER 8 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1ota h GLU 9 N 3.39 0.04 -0.75 1.43 3.07 -1.95 -2.69 114.58 117.11 1ota h GLU 9 Ca -0.46 -0.01 -0.53 0.00 -0.50 0.00 0.00 59.36 57.86 1ota h GLU 9 Cb 1.27 -0.01 -0.34 0.00 -0.84 0.00 0.00 28.75 28.83 1ota h GLU 9 CO 0.69 0.21 -0.27 -0.25 -1.40 0.00 0.00 179.01 177.99 1ota n ASP 10 N -4.32 5.30 0.10 1.42 8.00 -1.26 -4.74 116.55 121.05 1ota n ASP 10 Ca -0.02 -3.77 0.03 0.00 0.71 0.00 0.00 54.79 51.74 1ota n ASP 10 Cb 0.25 -0.55 0.41 0.00 -0.02 0.00 0.00 41.12 41.21 1ota n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1ota h ILE 11 N 1.69 1.15 0.00 0.53 2.10 -1.86 -1.57 117.51 119.55 1ota h ILE 11 Ca 0.41 -0.58 -0.08 0.00 1.08 0.00 0.00 64.86 65.69 1ota h ILE 11 Cb 1.35 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 38.08 1ota h ILE 11 CO 0.93 0.19 -0.36 1.05 -1.08 0.00 0.00 178.15 178.87 1ota h GLU 12 N 0.30 0.00 -0.23 2.19 9.09 -1.86 -0.91 114.58 123.15 1ota h GLU 12 Ca 0.07 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.33 1ota h GLU 12 Cb 0.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 1ota h GLU 12 CO 0.01 0.36 -0.45 -0.91 0.05 0.00 0.00 179.01 178.07 1ota h ASN 13 N 0.00 0.80 -0.59 3.06 4.21 -1.68 -2.60 115.58 118.79 1ota h ASN 13 Ca -0.00 -0.54 -0.03 0.00 1.21 0.00 0.00 56.30 56.93 1ota h ASN 13 Cb 0.71 -0.23 -0.03 0.00 -1.12 0.00 0.00 38.32 37.65 1ota h ASN 13 CO 0.05 1.19 0.24 0.74 -1.29 0.00 0.00 177.43 178.35 1ota h THR 14 N 0.44 1.23 0.00 2.81 2.02 -1.19 -2.85 112.91 115.37 1ota h THR 14 Ca 0.01 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1ota h THR 14 Cb 1.05 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1ota h THR 14 CO 0.10 0.27 -0.07 0.18 0.37 0.00 0.00 175.52 176.38 1ota n LEU 15 N -4.48 0.40 0.33 2.58 4.32 -0.38 -3.15 117.00 116.62 1ota n LEU 15 Ca 0.03 0.49 0.21 0.00 -0.02 0.00 0.00 56.01 56.72 1ota n LEU 15 Cb 0.16 -0.39 1.12 0.00 -1.62 0.00 0.00 43.42 42.69 1ota n LEU 15 CO 0.39 -0.07 1.16 0.00 -1.22 0.00 0.00 177.39 177.65 1ota h ALA 16 N 2.78 1.09 -0.00 -1.18 0.00 -1.21 -2.75 119.26 117.99 1ota h ALA 16 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ota h ALA 16 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ota h ALA 16 CO 0.00 0.01 -0.46 0.36 0.00 0.00 0.00 179.25 179.15 1ota n LYS 17 N -3.22 0.34 -3.41 0.00 2.85 -1.19 -4.91 118.16 108.62 1ota n LYS 17 Ca -0.03 -0.21 -0.38 0.00 -1.05 0.00 0.00 58.31 56.64 1ota n LYS 17 Cb 0.10 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.92 1ota n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1ota s MET 18 N -2.81 4.12 0.71 -1.58 -1.94 -1.04 -5.08 119.30 111.69 1ota s MET 18 Ca 0.16 0.44 -0.05 0.00 -1.71 0.00 0.00 55.69 54.52 1ota s MET 18 Cb 0.18 -3.31 0.15 0.00 2.01 0.00 0.00 34.83 33.86 1ota s MET 18 CO 0.65 0.46 0.97 -0.25 -0.01 0.00 0.00 175.02 176.84 1ota n ASP 19 N 2.60 0.80 0.03 3.03 10.43 -1.26 -4.82 116.55 127.36 1ota n ASP 19 Ca -0.11 -1.79 -0.00 0.00 2.57 0.00 0.00 54.79 55.45 1ota n ASP 19 Cb 0.52 -0.68 0.29 0.00 1.84 0.00 0.00 41.12 43.09 1ota n ASP 19 CO 0.00 0.00 0.00 -2.24 -1.07 0.00 0.00 177.20 173.89 1ota h ASP 20 N -0.87 0.42 -0.54 -2.24 3.04 -1.99 -0.95 116.42 113.29 1ota h ASP 20 Ca -0.32 -0.10 0.01 0.00 -3.24 0.00 0.00 57.03 53.38 1ota h ASP 20 Cb 1.05 -0.11 -0.03 0.00 -1.04 0.00 0.00 39.33 39.21 1ota h ASP 20 CO 0.29 0.57 0.36 1.23 -2.04 0.00 0.00 179.24 179.65 1ota h GLY 21 N 0.87 0.76 1.11 7.15 0.00 -2.00 -2.83 103.07 108.14 1ota h GLY 21 Ca 0.08 -0.28 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 1ota h GLY 21 CO 0.02 0.28 0.11 1.46 0.00 0.00 0.00 176.54 178.41 1ota h GLN 22 N 0.73 1.09 0.00 4.80 4.20 -1.79 -2.52 115.11 121.62 1ota h GLN 22 Ca 0.20 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1ota h GLN 22 Cb -0.09 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 1ota h GLN 22 CO -0.04 0.99 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.93 1ota h LEU 23 N 1.02 0.00 -0.12 1.46 3.38 -0.97 -0.66 115.31 119.42 1ota h LEU 23 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1ota h LEU 23 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1ota h LEU 23 CO 0.01 0.11 0.00 0.47 0.09 0.00 0.00 178.44 179.12 1ota n ASP 24 N -4.24 0.11 -0.75 -0.43 8.00 -0.95 -2.45 116.55 115.84 1ota n ASP 24 Ca -0.03 0.53 0.10 0.00 0.71 0.00 0.00 54.79 56.10 1ota n ASP 24 Cb 0.18 -0.55 0.30 0.00 -0.02 0.00 0.00 41.12 41.03 1ota n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ota n GLY 25 N -0.01 0.78 3.82 0.44 0.00 -0.25 -4.66 105.19 105.31 1ota n GLY 25 Ca 0.03 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1ota n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ota s LEU 26 N -1.45 3.53 0.00 0.99 1.43 -1.03 -0.83 118.68 121.33 1ota s LEU 26 Ca 0.33 1.70 0.28 0.00 -1.03 0.00 0.00 54.13 55.41 1ota s LEU 26 Cb 0.18 -4.52 1.44 0.00 0.03 0.00 0.00 46.19 43.32 1ota s LEU 26 CO 0.26 -0.93 1.98 0.00 0.23 0.00 0.00 176.35 177.89 1ota n ALA 27 N -1.92 2.41 -2.12 4.21 0.00 -1.26 -4.74 120.51 117.09 1ota n ALA 27 Ca 0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1ota n ALA 27 Cb 0.53 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 1ota n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ota s PHE 28 N -2.57 0.68 0.34 0.00 -0.12 -1.26 -5.05 117.98 110.00 1ota s PHE 28 Ca 0.27 -1.02 -0.28 0.00 -0.05 0.00 0.00 56.93 55.85 1ota s PHE 28 Cb 0.19 -0.44 -0.10 0.00 -0.63 0.00 0.00 43.02 42.04 1ota s PHE 28 CO 0.43 -0.30 1.27 0.20 -0.05 0.00 0.00 175.22 176.77 1ota s GLY 29 N -2.97 2.99 -0.03 1.99 0.00 0.10 -4.61 107.32 104.78 1ota s GLY 29 Ca 0.10 1.19 -0.01 0.00 0.00 0.00 0.00 44.72 45.99 1ota s GLY 29 CO -0.07 1.81 0.07 0.00 0.00 0.00 0.00 173.10 174.90 1ota s ALA 30 N -1.18 -0.03 -0.04 3.20 0.00 -1.26 -1.26 121.76 121.19 1ota s ALA 30 Ca 0.50 0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.93 1ota s ALA 30 Cb -0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 1ota s ALA 30 CO 0.50 -0.12 -0.18 0.42 0.00 0.00 0.00 175.76 176.37 1ota s ILE 31 N 1.10 1.50 -0.15 0.00 1.01 -0.07 -1.60 121.20 122.99 1ota s ILE 31 Ca -0.09 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 1ota s ILE 31 Cb -0.12 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1ota s ILE 31 CO -0.04 0.43 -0.07 -1.58 0.00 0.00 0.00 174.94 173.68 1ota s GLN 32 N -0.07 3.54 0.11 2.79 0.74 -0.44 -0.75 119.66 125.58 1ota s GLN 32 Ca -0.02 -0.59 0.09 0.00 0.05 0.00 0.00 55.36 54.89 1ota s GLN 32 Cb -0.11 -2.82 -0.04 0.00 1.10 0.00 0.00 33.01 31.15 1ota s GLN 32 CO 0.02 0.19 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.26 1ota s LEU 33 N 0.46 2.67 0.00 3.68 1.43 0.44 -0.35 118.68 127.01 1ota s LEU 33 Ca -0.06 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.35 1ota s LEU 33 Cb -0.15 -1.53 0.21 0.00 0.03 0.00 0.00 46.19 44.76 1ota s LEU 33 CO 0.04 0.19 1.28 -0.90 0.23 0.00 0.00 176.35 177.18 1ota n ASP 34 N 0.91 0.29 0.00 2.29 5.68 -0.50 -0.82 116.55 124.41 1ota n ASP 34 Ca -0.16 -1.58 0.10 0.00 -0.50 0.00 0.00 54.79 52.65 1ota n ASP 34 Cb 0.53 -0.96 0.45 0.00 -1.14 0.00 0.00 41.12 40.00 1ota n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ota n GLY 35 N -3.52 -1.18 0.52 6.12 0.00 -1.20 -1.30 105.19 104.63 1ota n GLY 35 Ca 0.17 -0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.24 1ota n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ota n ASP 36 N -1.47 1.74 0.00 1.61 8.00 -1.26 -4.96 116.55 120.21 1ota n ASP 36 Ca 0.06 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.12 1ota n ASP 36 Cb 0.23 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1ota n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ota n GLY 37 N 1.28 0.71 3.76 0.44 0.00 -0.42 -4.91 105.19 106.05 1ota n GLY 37 Ca 0.15 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1ota n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ota s ASN 38 N -2.04 7.43 -0.20 1.61 0.01 -1.26 -0.74 114.94 119.75 1ota s ASN 38 Ca 0.00 2.01 -0.27 0.00 -0.71 0.00 0.00 52.86 53.89 1ota s ASN 38 Cb 0.00 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 1ota s ASN 38 CO 0.00 -0.01 0.91 -0.63 -1.51 0.00 0.00 177.10 175.86 1ota s ILE 39 N -1.30 4.80 -0.21 0.60 1.01 -0.20 -1.41 121.20 124.50 1ota s ILE 39 Ca 0.45 1.77 0.07 0.00 0.00 0.00 0.00 60.65 62.94 1ota s ILE 39 Cb -0.26 -4.20 -0.21 0.00 0.01 0.00 0.00 42.46 37.80 1ota s ILE 39 CO 0.32 -0.06 0.00 0.18 0.00 0.00 0.00 174.94 175.39 1ota n LEU 40 N 5.70 1.85 -3.90 2.97 4.77 0.53 -0.51 117.00 128.41 1ota n LEU 40 Ca 0.07 -0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 1ota n LEU 40 Cb 0.48 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 41.05 1ota n LEU 40 CO 0.49 0.75 -0.22 -1.10 -1.33 0.00 0.00 177.39 175.98 1ota s GLN 41 N -2.52 0.43 -0.28 3.23 -1.52 -1.14 -4.91 119.66 112.95 1ota s GLN 41 Ca -0.23 -0.43 -0.05 0.00 -1.95 0.00 0.00 55.36 52.70 1ota s GLN 41 Cb 0.08 0.17 0.15 0.00 -0.22 0.00 0.00 33.01 33.19 1ota s GLN 41 CO 0.71 -0.10 0.55 -0.47 -0.25 0.00 0.00 175.29 175.74 1ota s TYR 42 N -1.35 -1.30 0.66 0.91 6.14 -1.26 -1.33 117.35 119.82 1ota s TYR 42 Ca -0.14 1.71 -0.01 0.00 0.64 0.00 0.00 57.07 59.27 1ota s TYR 42 Cb -0.08 0.51 0.09 0.00 0.42 0.00 0.00 41.96 42.89 1ota s TYR 42 CO 0.01 -0.74 0.92 0.54 0.64 0.00 0.00 175.55 176.91 1ota s ASN 43 N 2.78 4.73 0.18 4.32 4.22 -0.63 -4.78 114.94 125.76 1ota s ASN 43 Ca 0.09 -0.15 -0.10 0.00 -2.14 0.00 0.00 52.86 50.56 1ota s ASN 43 Cb -0.14 -0.44 0.06 0.00 1.28 0.00 0.00 41.25 42.02 1ota s ASN 43 CO -0.18 -1.58 1.65 0.00 -2.04 0.00 0.00 177.10 174.95 1ota h ALA 44 N -0.32 0.80 -0.45 3.54 0.00 -1.84 -2.34 119.26 118.67 1ota h ALA 44 Ca -0.39 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 1ota h ALA 44 Cb 1.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1ota h ALA 44 CO 0.47 0.60 0.08 0.00 0.00 0.00 0.00 179.25 180.40 1ota h ALA 45 N 1.00 1.31 -0.44 0.00 0.00 -1.83 -1.20 119.26 118.10 1ota h ALA 45 Ca 0.18 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1ota h ALA 45 Cb 0.49 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1ota h ALA 45 CO 0.02 0.48 0.18 0.37 0.00 0.00 0.00 179.25 180.31 1ota h GLN 46 N 0.66 0.64 -0.10 0.00 5.75 -1.72 -2.19 115.11 118.16 1ota h GLN 46 Ca 0.15 -0.11 -0.02 0.00 -0.15 0.00 0.00 58.65 58.51 1ota h GLN 46 Cb 0.29 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1ota h GLN 46 CO 0.00 0.58 -0.05 0.78 -2.65 0.00 0.00 178.83 177.49 1ota h GLY 47 N 0.56 0.15 1.23 2.39 0.00 -0.88 -0.84 103.07 105.68 1ota h GLY 47 Ca 0.15 -0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 1ota h GLY 47 CO -0.01 0.07 0.06 -0.55 0.00 0.00 0.00 176.54 176.11 1ota h ASP 48 N 0.14 0.90 -0.20 0.19 3.45 -0.84 0.60 116.42 120.67 1ota h ASP 48 Ca 0.03 -0.21 -0.16 0.00 0.43 0.00 0.00 57.03 57.12 1ota h ASP 48 Cb 0.19 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.72 1ota h ASP 48 CO 0.01 0.93 -0.50 0.40 -1.57 0.00 0.00 179.24 178.51 1ota h ILE 49 N 0.89 1.31 0.00 0.35 2.04 -0.70 -3.38 117.51 118.02 1ota h ILE 49 Ca 0.18 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1ota h ILE 49 Cb 0.43 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1ota h ILE 49 CO 0.01 0.54 -1.26 0.35 0.00 0.00 0.00 178.15 177.80 1ota n THR 50 N -4.15 0.00 -0.20 -0.27 -2.24 -0.41 -4.99 114.28 102.01 1ota n THR 50 Ca -0.06 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1ota n THR 50 Cb 0.59 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1ota n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ota n GLY 51 N 1.47 2.00 3.79 3.38 0.00 0.20 -4.97 105.19 111.06 1ota n GLY 51 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1ota n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ota s ARG 52 N -0.21 3.93 -0.32 1.61 3.00 -1.25 -5.00 118.95 120.71 1ota s ARG 52 Ca 0.00 1.41 -0.23 0.00 0.00 0.00 0.00 55.73 56.91 1ota s ARG 52 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 34.95 32.71 1ota s ARG 52 CO 0.00 -0.33 0.77 0.34 0.00 0.00 0.00 175.30 176.08 1ota s ASP 53 N -1.85 6.62 0.27 0.23 3.68 -1.26 -4.44 116.67 119.92 1ota s ASP 53 Ca 0.64 0.57 -0.00 0.00 2.13 0.00 0.00 52.55 55.89 1ota s ASP 53 Cb -0.18 -2.40 0.58 0.00 -1.45 0.00 0.00 42.92 39.48 1ota s ASP 53 CO 0.22 -0.63 1.72 -0.65 0.13 0.00 0.00 175.17 175.97 1ota h PRO 54 N 8.20 0.44 0.00 4.34 0.11 -1.89 -0.99 132.00 142.21 1ota h PRO 54 Ca -0.25 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 1ota h PRO 54 Cb 1.10 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1ota h PRO 54 CO 0.88 0.29 -0.30 0.87 -0.21 0.00 0.00 178.00 179.53 1ota h LYS 55 N 0.45 0.00 0.00 1.05 6.56 -1.93 -2.67 116.57 120.02 1ota h LYS 55 Ca 0.48 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 60.04 1ota h LYS 55 Cb 0.81 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.47 1ota h LYS 55 CO -0.46 0.30 -0.18 1.96 -2.06 0.00 0.00 179.45 179.01 1ota h GLN 56 N 0.00 0.00 0.00 3.15 4.20 -1.59 -3.31 115.11 117.56 1ota h GLN 56 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ota h GLN 56 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1ota h GLN 56 CO 0.04 0.18 -1.49 1.33 -0.67 0.00 0.00 178.83 178.22 1ota n VAL 57 N -3.15 0.03 -1.83 -0.54 0.24 -1.03 -4.85 118.33 107.20 1ota n VAL 57 Ca 0.03 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.63 1ota n VAL 57 Cb 0.59 0.40 -0.02 0.00 -1.47 0.00 0.00 33.84 33.34 1ota n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ota s ILE 58 N -3.28 2.22 0.00 1.34 -1.09 -1.11 -1.48 121.20 117.80 1ota s ILE 58 Ca -0.00 0.18 0.00 0.00 -2.23 0.00 0.00 60.65 58.59 1ota s ILE 58 Cb 0.15 -3.11 0.00 0.00 -1.58 0.00 0.00 42.46 37.91 1ota s ILE 58 CO 0.88 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 175.23 1ota n GLY 59 N 2.61 2.35 3.89 6.18 0.00 0.33 -4.99 105.19 115.56 1ota n GLY 59 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1ota n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ota s LYS 60 N -0.72 3.47 -0.16 1.61 1.02 -0.55 -4.70 119.74 119.71 1ota s LYS 60 Ca 0.00 0.46 -0.21 0.00 0.02 0.00 0.00 55.97 56.24 1ota s LYS 60 Cb 0.00 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 35.08 1ota s LYS 60 CO 0.00 -0.48 0.64 1.21 -0.92 0.00 0.00 175.35 175.80 1ota s ASN 61 N -4.18 6.76 0.14 2.83 3.84 -1.26 -1.03 114.94 122.04 1ota s ASN 61 Ca 0.52 0.93 -0.15 0.00 0.21 0.00 0.00 52.86 54.37 1ota s ASN 61 Cb -0.11 -2.36 0.01 0.00 -0.55 0.00 0.00 41.25 38.24 1ota s ASN 61 CO 0.50 -0.21 1.69 0.15 -2.79 0.00 0.00 177.10 176.43 1ota h PHE 62 N 7.22 0.67 0.07 0.43 3.57 -1.28 -0.85 116.94 126.76 1ota h PHE 62 Ca -0.35 -0.05 -0.24 0.00 3.53 0.00 0.00 57.97 60.86 1ota h PHE 62 Cb 1.16 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 1ota h PHE 62 CO 0.69 0.58 -1.10 0.74 -2.23 0.00 0.00 178.31 176.99 1ota h PHE 63 N 0.56 0.33 0.09 0.41 0.04 -1.83 0.13 116.94 116.68 1ota h PHE 63 Ca 0.14 -0.23 -0.26 0.00 2.80 0.00 0.00 57.97 60.42 1ota h PHE 63 Cb 0.20 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1ota h PHE 63 CO 0.00 1.14 -1.37 -0.22 -0.60 0.00 0.00 178.31 177.27 1ota h LYS 64 N 0.07 0.20 0.00 1.51 3.64 -1.88 -3.37 116.57 116.74 1ota h LYS 64 Ca -0.08 -0.34 -0.33 0.00 -1.27 0.00 0.00 60.65 58.63 1ota h LYS 64 Cb 1.82 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 33.71 1ota h LYS 64 CO 0.17 1.16 -2.09 -0.25 -2.27 0.00 0.00 179.45 176.17 1ota n ASP 65 N -3.99 1.41 0.00 4.20 8.00 -0.36 -4.73 116.55 121.07 1ota n ASP 65 Ca -0.26 0.24 -0.22 0.00 0.71 0.00 0.00 54.79 55.27 1ota n ASP 65 Cb 0.86 -0.59 -0.14 0.00 -0.02 0.00 0.00 41.12 41.24 1ota n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1ota h VAL 66 N -0.72 0.90 -2.10 2.53 2.07 -1.44 -3.43 116.25 114.06 1ota h VAL 66 Ca -0.50 -2.37 -0.54 0.00 0.82 0.00 0.00 66.70 64.11 1ota h VAL 66 Cb 1.43 2.60 -0.41 0.00 -1.52 0.00 0.00 31.29 33.40 1ota h VAL 66 CO -0.30 0.73 -0.96 0.00 0.02 0.00 0.00 177.57 177.06 1ota n ALA 67 N -3.02 3.07 0.30 1.67 0.00 0.46 -4.94 120.51 118.05 1ota n ALA 67 Ca -0.28 -3.93 0.16 0.00 0.00 0.00 0.00 53.44 49.40 1ota n ALA 67 Cb 0.93 -0.85 0.93 0.00 0.00 0.00 0.00 19.45 20.46 1ota n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ota h PRO 68 N 3.32 0.00 0.00 0.00 0.13 -1.77 -0.65 132.00 133.02 1ota h PRO 68 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ota h PRO 68 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1ota h PRO 68 CO 0.62 0.04 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 1ota n THR 70 N -2.72 0.00 -2.64 0.00 -2.24 -0.25 -4.69 114.28 101.73 1ota n THR 70 Ca -0.01 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 1ota n THR 70 Cb 0.15 0.41 -0.02 0.00 -2.10 0.00 0.00 70.33 68.77 1ota n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ota s ASP 71 N -2.52 6.68 0.06 3.42 -1.08 -0.47 -1.36 116.67 121.41 1ota s ASP 71 Ca 0.24 -1.98 -0.26 0.00 -0.52 0.00 0.00 52.55 50.03 1ota s ASP 71 Cb 0.19 -2.54 0.07 0.00 -1.46 0.00 0.00 42.92 39.18 1ota s ASP 71 CO 0.53 -1.28 0.61 -0.55 0.52 0.00 0.00 175.17 174.99 1ota s SER 72 N 4.39 -0.57 0.57 -0.34 0.15 -1.26 -4.97 113.70 111.67 1ota s SER 72 Ca 0.47 0.28 0.26 0.00 0.70 0.00 0.00 55.95 57.66 1ota s SER 72 Cb 0.01 0.55 1.62 0.00 -1.71 0.00 0.00 66.02 66.49 1ota s SER 72 CO -0.03 -0.79 2.18 -0.65 1.20 0.00 0.00 173.24 175.15 1ota h PRO 73 N 2.52 0.00 0.00 5.44 0.11 -1.94 -1.17 132.00 136.95 1ota h PRO 73 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1ota h PRO 73 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ota h PRO 73 CO 0.39 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.11 1ota h GLU 74 N 0.00 0.00 0.00 1.05 3.07 -1.96 -3.18 114.58 113.56 1ota h GLU 74 Ca 0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1ota h GLU 74 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1ota h GLU 74 CO -0.00 0.00 0.00 0.34 -1.40 0.00 0.00 179.01 177.95 1ota n PHE 75 N -2.53 0.00 -0.33 4.33 -0.00 -0.98 -4.71 117.46 113.23 1ota n PHE 75 Ca 0.03 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.56 1ota n PHE 75 Cb 0.34 0.11 0.25 0.00 -0.00 0.00 0.00 39.48 40.17 1ota n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1ota h TYR 76 N 0.00 0.97 -0.74 -5.13 3.20 -0.64 -1.59 116.97 113.04 1ota h TYR 76 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1ota h TYR 76 Cb 0.00 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 37.94 1ota h TYR 76 CO 0.00 0.30 0.42 0.78 -1.64 0.00 0.00 178.16 178.02 1ota h GLY 77 N 0.79 1.09 0.93 1.82 0.00 -1.22 0.45 103.07 106.94 1ota h GLY 77 Ca 0.50 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.31 1ota h GLY 77 CO -0.32 0.45 0.05 0.50 0.00 0.00 0.00 176.54 177.22 1ota h LYS 78 N 1.03 0.65 -0.03 4.80 1.57 -1.30 -2.13 116.57 121.15 1ota h LYS 78 Ca 0.27 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1ota h LYS 78 Cb -0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1ota h LYS 78 CO -0.05 0.71 0.00 0.35 -0.57 0.00 0.00 179.45 179.90 1ota h PHE 79 N 0.49 0.00 -0.05 -1.35 3.57 -0.71 -1.96 116.94 116.93 1ota h PHE 79 Ca 0.12 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 1ota h PHE 79 Cb 0.39 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1ota h PHE 79 CO 0.03 0.00 -0.37 1.57 -2.23 0.00 0.00 178.31 177.30 1ota h LYS 80 N 0.02 0.11 -0.52 1.11 5.09 -0.83 0.06 116.57 121.59 1ota h LYS 80 Ca 0.01 -0.04 -0.11 0.00 0.09 0.00 0.00 60.65 60.60 1ota h LYS 80 Cb 0.01 -0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.32 1ota h LYS 80 CO -0.02 0.47 -0.09 1.49 -2.09 0.00 0.00 179.45 179.21 1ota h GLU 81 N 0.09 0.98 -0.60 0.07 4.22 -1.25 -1.51 114.58 116.58 1ota h GLU 81 Ca 0.01 -0.36 -0.03 0.00 0.08 0.00 0.00 59.36 59.07 1ota h GLU 81 Cb 0.71 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1ota h GLU 81 CO 0.05 1.03 0.28 0.78 -2.18 0.00 0.00 179.01 178.97 1ota h GLY 82 N 0.85 0.94 1.04 1.92 0.00 -0.54 -1.34 103.07 105.94 1ota h GLY 82 Ca 0.14 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1ota h GLY 82 CO 0.04 0.45 0.39 -2.08 0.00 0.00 0.00 176.54 175.34 1ota h VAL 83 N 0.82 1.26 -0.57 4.60 2.07 -0.88 0.11 116.25 123.67 1ota h VAL 83 Ca 0.21 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 1ota h VAL 83 Cb 0.14 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1ota h VAL 83 CO -0.02 0.32 0.07 0.00 0.02 0.00 0.00 177.57 177.95 1ota h ALA 84 N 1.21 0.76 0.00 1.67 0.00 -0.98 -2.99 119.26 118.93 1ota h ALA 84 Ca 0.28 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ota h ALA 84 Cb 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ota h ALA 84 CO -0.03 0.53 -0.27 0.77 0.00 0.00 0.00 179.25 180.24 1ota h SER 85 N 0.85 0.00 -0.07 0.00 0.02 -1.10 -3.48 113.55 109.77 1ota h SER 85 Ca 0.17 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1ota h SER 85 Cb 0.45 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1ota h SER 85 CO 0.02 0.00 -0.03 0.61 -1.14 0.00 0.00 176.83 176.29 1ota n GLY 86 N 1.15 0.51 3.27 -3.77 0.00 0.35 -5.02 105.19 101.68 1ota n GLY 86 Ca 0.03 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1ota n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ota s ASN 87 N -2.73 -0.36 -0.26 1.61 2.20 -0.99 -5.03 114.94 109.38 1ota s ASN 87 Ca 0.00 0.63 -0.13 0.00 -0.94 0.00 0.00 52.86 52.42 1ota s ASN 87 Cb 0.00 0.68 0.09 0.00 -2.00 0.00 0.00 41.25 40.02 1ota s ASN 87 CO 0.00 -0.20 0.61 -0.22 -2.94 0.00 0.00 177.10 174.35 1ota s LEU 88 N -0.11 -0.82 -0.32 3.54 2.96 -1.26 -4.36 118.68 118.31 1ota s LEU 88 Ca -0.03 1.38 0.06 0.00 -0.22 0.00 0.00 54.13 55.33 1ota s LEU 88 Cb -0.03 2.12 0.19 0.00 0.50 0.00 0.00 46.19 48.97 1ota s LEU 88 CO 0.01 -0.23 0.61 0.21 -1.32 0.00 0.00 176.35 175.64 1ota s ASN 89 N 1.91 -1.59 -0.04 3.68 2.47 -1.24 -1.79 114.94 118.33 1ota s ASN 89 Ca -0.09 -0.07 -0.10 0.00 0.42 0.00 0.00 52.86 53.03 1ota s ASN 89 Cb -0.07 2.00 0.02 0.00 -1.45 0.00 0.00 41.25 41.75 1ota s ASN 89 CO -0.18 -0.26 0.24 0.28 -3.72 0.00 0.00 177.10 173.46 1ota s THR 90 N 2.57 0.04 -0.03 -5.21 -1.32 -0.56 -5.01 115.64 106.12 1ota s THR 90 Ca 0.12 -0.35 0.03 0.00 -1.21 0.00 0.00 61.69 60.28 1ota s THR 90 Cb -0.08 -0.46 0.00 0.00 -1.51 0.00 0.00 72.50 70.45 1ota s THR 90 CO -0.21 -0.19 -0.10 -0.32 -2.21 0.00 0.00 174.62 171.58 1ota s MET 91 N -0.76 1.11 0.17 7.08 1.75 -1.26 -0.79 119.30 126.60 1ota s MET 91 Ca -0.09 -0.36 -0.23 0.00 -1.25 0.00 0.00 55.69 53.77 1ota s MET 91 Cb -0.05 -1.02 0.06 0.00 2.84 0.00 0.00 34.83 36.67 1ota s MET 91 CO 0.02 0.13 0.63 -0.59 -0.65 0.00 0.00 175.02 174.56 1ota s PHE 92 N 0.18 -0.49 0.24 4.11 -0.71 -0.32 -4.99 117.98 116.00 1ota s PHE 92 Ca -0.03 0.24 -0.11 0.00 -1.04 0.00 0.00 56.93 55.99 1ota s PHE 92 Cb -0.09 0.58 -0.07 0.00 -1.21 0.00 0.00 43.02 42.22 1ota s PHE 92 CO 0.01 -0.89 0.57 -1.21 -1.34 0.00 0.00 175.22 172.36 1ota s GLU 93 N -3.75 3.84 0.16 1.99 2.02 -1.26 -0.39 118.70 121.30 1ota s GLU 93 Ca 0.02 0.34 -0.16 0.00 0.02 0.00 0.00 54.97 55.19 1ota s GLU 93 Cb -0.02 -2.64 0.03 0.00 0.10 0.00 0.00 34.13 31.61 1ota s GLU 93 CO -0.10 0.31 0.45 -0.47 0.02 0.00 0.00 175.26 175.46 1ota s TYR 94 N -1.82 -0.13 -0.15 1.61 5.04 -0.36 -4.93 117.35 116.61 1ota s TYR 94 Ca 0.48 -0.19 0.01 0.00 -2.44 0.00 0.00 57.07 54.92 1ota s TYR 94 Cb -0.11 0.30 -0.00 0.00 0.35 0.00 0.00 41.96 42.49 1ota s TYR 94 CO 0.20 -0.79 -0.17 0.99 -1.34 0.00 0.00 175.55 174.44 1ota s THR 95 N -3.84 2.54 -0.20 4.34 2.01 -1.26 -0.98 115.64 118.25 1ota s THR 95 Ca 0.06 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 61.10 1ota s THR 95 Cb 0.01 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 1ota s THR 95 CO -0.07 0.52 0.35 -0.36 -0.69 0.00 0.00 174.62 174.37 1ota s PHE 96 N 0.76 3.38 0.00 4.92 0.08 -0.21 -4.91 117.98 121.99 1ota s PHE 96 Ca -0.07 0.56 0.00 0.00 0.12 0.00 0.00 56.93 57.54 1ota s PHE 96 Cb -0.16 -2.47 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 1ota s PHE 96 CO 0.01 0.03 0.76 -0.40 -0.10 0.00 0.00 175.22 175.51 1ota n ASP 97 N 4.34 0.00 -4.58 1.36 5.68 -1.26 -1.21 116.55 120.88 1ota n ASP 97 Ca -0.10 -1.57 -0.41 0.00 -0.50 0.00 0.00 54.79 52.22 1ota n ASP 97 Cb 0.51 -0.11 -0.08 0.00 -1.14 0.00 0.00 41.12 40.30 1ota n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1ota s TYR 98 N 0.00 3.21 -1.49 2.11 5.04 -1.26 -4.21 117.35 120.75 1ota s TYR 98 Ca 0.00 0.31 -0.04 0.00 -2.44 0.00 0.00 57.07 54.90 1ota s TYR 98 Cb 0.00 -2.82 0.02 0.00 0.35 0.00 0.00 41.96 39.50 1ota s TYR 98 CO 0.00 -0.43 0.40 1.04 -1.34 0.00 0.00 175.55 175.21 1ota n GLN 99 N 5.63 -3.70 -3.56 4.97 6.02 -1.26 -4.94 117.38 120.55 1ota n GLN 99 Ca -0.05 0.81 -0.11 0.00 -0.01 0.00 0.00 57.00 57.64 1ota n GLN 99 Cb 0.49 -5.57 -0.03 0.00 1.02 0.00 0.00 30.24 26.15 1ota n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ota s MET 100 N -5.56 1.33 0.24 -1.09 0.23 -1.26 -5.11 119.30 108.08 1ota s MET 100 Ca 0.23 -0.64 -0.31 0.00 -1.03 0.00 0.00 55.69 53.94 1ota s MET 100 Cb -0.11 0.56 -0.11 0.00 -1.53 0.00 0.00 34.83 33.64 1ota s MET 100 CO 0.28 -0.58 1.64 0.99 -2.03 0.00 0.00 175.02 175.32 1ota s THR 101 N -3.80 2.13 0.13 3.16 2.01 -1.26 -4.74 115.64 113.27 1ota s THR 101 Ca 0.04 0.10 -0.33 0.00 0.31 0.00 0.00 61.69 61.81 1ota s THR 101 Cb -0.01 -3.06 -0.13 0.00 0.01 0.00 0.00 72.50 69.30 1ota s THR 101 CO -0.08 0.01 1.68 -2.65 -0.69 0.00 0.00 174.62 172.88 1ota n PRO 102 N 3.07 2.34 -3.95 4.92 -0.02 -1.26 -4.76 135.00 135.34 1ota n PRO 102 Ca 0.12 0.85 -0.24 0.00 -2.02 0.00 0.00 63.50 62.20 1ota n PRO 102 Cb 0.37 -2.66 -0.17 0.00 -0.02 0.00 0.00 33.50 31.02 1ota n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1ota s THR 103 N 1.61 0.75 -0.01 3.45 2.01 -0.35 -4.97 115.64 118.13 1ota s THR 103 Ca 0.80 -0.14 -0.23 0.00 0.31 0.00 0.00 61.69 62.44 1ota s THR 103 Cb -0.63 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 1ota s THR 103 CO 0.39 0.31 0.67 -0.75 -0.69 0.00 0.00 174.62 174.55 1ota s LYS 104 N 1.60 4.41 0.13 4.92 2.20 -1.26 -1.05 119.74 130.69 1ota s LYS 104 Ca 0.01 0.87 0.02 0.00 -0.36 0.00 0.00 55.97 56.51 1ota s LYS 104 Cb -0.13 -3.38 -0.04 0.00 -1.51 0.00 0.00 37.83 32.77 1ota s LYS 104 CO -0.05 0.25 -0.03 0.14 -0.36 0.00 0.00 175.35 175.31 1ota s VAL 105 N 0.14 0.66 -0.19 4.02 -7.23 -0.15 -3.05 120.40 114.61 1ota s VAL 105 Ca 0.35 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.47 1ota s VAL 105 Cb -0.19 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 1ota s VAL 105 CO 0.19 -0.67 0.11 -0.75 -0.31 0.00 0.00 175.10 173.67 1ota s LYS 106 N -3.88 4.04 -0.07 4.82 2.20 0.17 -1.22 119.74 125.79 1ota s LYS 106 Ca 0.18 -0.25 0.04 0.00 -0.36 0.00 0.00 55.97 55.58 1ota s LYS 106 Cb 0.06 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1ota s LYS 106 CO -0.00 0.34 -0.18 0.08 -0.36 0.00 0.00 175.35 175.23 1ota s VAL 107 N 0.21 2.67 -0.18 4.02 1.01 0.48 -1.59 120.40 127.02 1ota s VAL 107 Ca 0.07 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1ota s VAL 107 Cb -0.11 -2.04 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1ota s VAL 107 CO -0.01 0.57 -0.13 -2.28 0.00 0.00 0.00 175.10 173.25 1ota s HIS 108 N -0.26 2.34 -0.14 5.22 2.46 0.08 -1.17 115.29 123.81 1ota s HIS 108 Ca 0.01 -1.43 -0.04 0.00 0.47 0.00 0.00 55.06 54.06 1ota s HIS 108 Cb -0.13 -1.64 -0.03 0.00 -0.13 0.00 0.00 32.58 30.65 1ota s HIS 108 CO 0.03 -0.72 -0.00 -1.64 -2.47 0.00 0.00 174.74 169.94 1ota s MET 109 N 1.43 3.56 -0.10 2.88 -1.94 0.03 -0.41 119.30 124.74 1ota s MET 109 Ca 0.02 -0.44 -0.10 0.00 -1.71 0.00 0.00 55.69 53.46 1ota s MET 109 Cb -0.14 -2.96 0.03 0.00 2.01 0.00 0.00 34.83 33.77 1ota s MET 109 CO -0.10 0.38 0.29 0.21 -0.01 0.00 0.00 175.02 175.79 1ota s LYS 110 N 0.00 0.35 0.35 2.03 2.20 -0.45 -1.50 119.74 122.71 1ota s LYS 110 Ca 0.03 0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 55.72 1ota s LYS 110 Cb -0.13 0.17 -0.11 0.00 -1.51 0.00 0.00 37.83 36.25 1ota s LYS 110 CO 0.02 -0.05 1.38 0.21 -0.36 0.00 0.00 175.35 176.55 1ota s LYS 111 N 0.09 4.26 0.80 4.03 2.20 -0.74 -0.49 119.74 129.89 1ota s LYS 111 Ca -0.01 2.36 -0.12 0.00 -0.36 0.00 0.00 55.97 57.84 1ota s LYS 111 Cb -0.02 -3.03 0.07 0.00 -1.51 0.00 0.00 37.83 33.34 1ota s LYS 111 CO 0.01 -0.33 1.11 0.00 -0.36 0.00 0.00 175.35 175.78 1ota s ALA 112 N -1.11 2.34 0.15 3.13 0.00 -0.21 -4.80 121.76 121.27 1ota s ALA 112 Ca 0.51 -0.35 -0.06 0.00 0.00 0.00 0.00 51.96 52.06 1ota s ALA 112 Cb -0.42 -3.06 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1ota s ALA 112 CO 0.57 -1.71 1.41 1.25 0.00 0.00 0.00 175.76 177.28 1ota h LEU 113 N -1.07 0.69 -9.45 0.00 7.12 -1.87 -3.45 115.31 107.28 1ota h LEU 113 Ca -0.47 -0.43 -0.63 0.00 0.13 0.00 0.00 57.88 56.48 1ota h LEU 113 Cb 1.29 -0.20 -0.12 0.00 -0.53 0.00 0.00 40.66 41.09 1ota h LEU 113 CO 0.62 1.19 -0.67 -0.44 -0.13 0.00 0.00 178.44 179.00 1ota s SER 114 N -7.00 4.82 0.00 1.25 0.01 -1.26 -5.02 113.70 106.49 1ota s SER 114 Ca -0.08 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1ota s SER 114 Cb 0.10 -1.06 0.00 0.00 0.21 0.00 0.00 66.02 65.27 1ota s SER 114 CO 0.86 0.14 0.00 0.61 0.41 0.00 0.00 173.24 175.26 1ota n GLY 115 N 0.29 1.75 2.91 3.44 0.00 -1.26 -3.80 105.19 108.51 1ota n GLY 115 Ca -0.11 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1ota n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ota n ASP 116 N 1.11 4.67 -4.11 1.61 2.03 -1.26 -4.93 116.55 115.68 1ota n ASP 116 Ca 0.00 -3.69 -0.14 0.00 0.52 0.00 0.00 54.79 51.48 1ota n ASP 116 Cb 0.00 -0.59 -0.11 0.00 -0.72 0.00 0.00 41.12 39.70 1ota n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1ota s SER 117 N -3.36 1.11 -0.01 1.67 1.04 -1.25 -3.22 113.70 109.67 1ota s SER 117 Ca 0.48 -0.63 0.01 0.00 0.48 0.00 0.00 55.95 56.29 1ota s SER 117 Cb 0.28 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.43 1ota s SER 117 CO -0.14 -0.21 -0.02 -0.31 0.98 0.00 0.00 173.24 173.54 1ota s TYR 118 N -1.67 0.32 0.01 5.02 1.51 0.00 -1.04 117.35 121.51 1ota s TYR 118 Ca -0.05 -0.04 -0.08 0.00 -1.01 0.00 0.00 57.07 55.89 1ota s TYR 118 Cb -0.08 -0.28 -0.05 0.00 -0.11 0.00 0.00 41.96 41.44 1ota s TYR 118 CO 0.00 -0.05 0.30 -1.58 -1.11 0.00 0.00 175.55 173.11 1ota s TRP 119 N 0.32 3.59 -0.18 2.71 0.52 0.36 -0.42 118.94 125.85 1ota s TRP 119 Ca -0.03 0.65 0.01 0.00 0.02 0.00 0.00 56.10 56.75 1ota s TRP 119 Cb -0.06 -2.05 0.03 0.00 -1.15 0.00 0.00 33.47 30.24 1ota s TRP 119 CO -0.01 0.60 -0.16 0.08 0.02 0.00 0.00 176.95 177.49 1ota s VAL 120 N -1.28 1.84 -0.05 4.03 1.01 0.07 -1.35 120.40 124.67 1ota s VAL 120 Ca 0.27 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1ota s VAL 120 Cb -0.14 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1ota s VAL 120 CO 0.15 0.43 -0.11 -0.36 0.00 0.00 0.00 175.10 175.20 1ota s PHE 121 N 1.36 2.79 -0.01 5.22 0.08 0.45 -0.89 117.98 126.98 1ota s PHE 121 Ca 0.03 -0.09 0.01 0.00 0.12 0.00 0.00 56.93 57.00 1ota s PHE 121 Cb -0.14 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 1ota s PHE 121 CO -0.11 0.25 -0.02 0.08 -0.10 0.00 0.00 175.22 175.32 1ota s VAL 122 N -0.79 0.23 0.04 -0.44 1.01 -0.39 -0.74 120.40 119.32 1ota s VAL 122 Ca 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1ota s VAL 122 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 1ota s VAL 122 CO 0.01 0.08 0.02 -1.59 0.00 0.00 0.00 175.10 173.62 1ota s LYS 123 N 0.11 0.55 0.56 2.72 -2.85 -0.62 -0.72 119.74 119.49 1ota s LYS 123 Ca -0.01 -0.95 -0.18 0.00 -1.00 0.00 0.00 55.97 53.84 1ota s LYS 123 Cb -0.03 0.20 -0.05 0.00 -2.06 0.00 0.00 37.83 35.89 1ota s LYS 123 CO -0.00 -0.12 1.10 1.03 0.10 0.00 0.00 175.35 177.46 1ota s ARG 124 N -3.03 3.33 0.00 1.78 0.52 -1.26 -0.66 118.95 119.64 1ota s ARG 124 Ca -0.01 1.46 0.00 0.00 -0.52 0.00 0.00 55.73 56.65 1ota s ARG 124 Cb 0.01 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.47 1ota s ARG 124 CO -0.07 -0.84 0.24 1.33 0.02 0.00 0.00 175.30 175.98