#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1igo s THR 2 N 0.00 5.45 -0.15 0.00 -4.23 -1.21 -4.91 115.64 110.60 1igo s THR 2 Ca 0.00 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.79 1igo s THR 2 Cb 0.00 -3.44 -0.01 0.00 1.34 0.00 0.00 72.50 70.40 1igo s THR 2 CO 0.00 0.61 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.65 1igo s THR 3 N -0.99 2.75 0.17 3.99 2.01 -1.26 -0.19 115.64 122.13 1igo s THR 3 Ca 0.16 -0.75 0.10 0.00 0.31 0.00 0.00 61.69 61.51 1igo s THR 3 Cb -0.13 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.18 1igo s THR 3 CO 0.05 0.52 -0.15 0.27 -0.69 0.00 0.00 174.62 174.62 1igo s ILE 4 N 0.69 2.90 0.00 1.82 -4.36 1.00 -4.95 121.20 118.29 1igo s ILE 4 Ca -0.07 -1.72 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 1igo s ILE 4 Cb -0.16 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.15 1igo s ILE 4 CO 0.02 -0.07 0.12 0.35 0.24 0.00 0.00 174.94 175.60 1igo n THR 5 N 0.26 0.00 -4.27 8.37 -2.24 -1.26 -0.72 114.28 114.41 1igo n THR 5 Ca -0.12 -0.34 -0.15 0.00 -2.27 0.00 0.00 64.05 61.17 1igo n THR 5 Cb 0.55 1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 69.79 1igo n THR 5 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1igo s SER 6 N -0.44 1.48 -0.44 3.42 1.04 -1.26 -4.31 113.70 113.18 1igo s SER 6 Ca 0.00 -1.17 -0.46 0.00 0.48 0.00 0.00 55.95 54.80 1igo s SER 6 Cb 0.00 0.07 -0.20 0.00 0.10 0.00 0.00 66.02 65.99 1igo s SER 6 CO 0.00 -0.53 1.57 0.59 0.98 0.00 0.00 173.24 175.85 1igo n ASN 7 N -0.30 1.22 -3.58 7.02 3.02 -1.26 -4.84 115.26 116.54 1igo n ASN 7 Ca -0.06 1.18 -0.16 0.00 -0.03 0.00 0.00 54.58 55.51 1igo n ASN 7 Cb 0.63 -0.91 -0.07 0.00 -0.61 0.00 0.00 39.78 38.83 1igo n ASN 7 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1igo s GLN 8 N 2.80 0.94 0.05 3.52 0.74 -0.81 -4.99 119.66 121.92 1igo s GLN 8 Ca 1.03 0.65 0.03 0.00 0.05 0.00 0.00 55.36 57.12 1igo s GLN 8 Cb -1.44 0.45 -0.03 0.00 1.10 0.00 0.00 33.01 33.09 1igo s GLN 8 CO 0.79 -0.21 -0.10 0.99 -0.55 0.00 0.00 175.29 176.20 1igo s THR 9 N -0.37 0.77 -0.53 -0.34 2.01 -1.26 -1.15 115.64 114.77 1igo s THR 9 Ca -0.05 -1.16 0.00 0.00 0.31 0.00 0.00 61.69 60.79 1igo s THR 9 Cb -0.03 -0.79 0.00 0.00 0.01 0.00 0.00 72.50 71.69 1igo s THR 9 CO 0.05 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.28 1igo n GLY 10 N 1.42 -0.58 3.04 4.40 0.00 -0.86 -5.01 105.19 107.60 1igo n GLY 10 Ca -0.22 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 44.95 1igo n GLY 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1igo s THR 11 N -3.12 1.15 -0.12 2.61 2.01 -1.26 -0.96 115.64 115.94 1igo s THR 11 Ca 0.00 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.47 1igo s THR 11 Cb 0.00 -1.03 0.04 0.00 0.01 0.00 0.00 72.50 71.52 1igo s THR 11 CO 0.00 0.35 0.01 -2.28 -0.69 0.00 0.00 174.62 172.01 1igo s HIS 12 N 0.48 0.87 -1.38 4.92 5.04 0.19 -4.85 115.29 120.57 1igo s HIS 12 Ca -0.11 -0.48 -0.02 0.00 -1.54 0.00 0.00 55.06 52.91 1igo s HIS 12 Cb -0.14 -0.93 0.01 0.00 0.04 0.00 0.00 32.58 31.57 1igo s HIS 12 CO 0.03 -0.45 0.61 -3.47 -2.34 0.00 0.00 174.74 169.12 1igo n ASP 13 N 5.09 -1.18 0.00 9.88 -0.08 -1.26 -1.34 116.55 127.66 1igo n ASP 13 Ca -0.08 -0.90 0.00 0.00 -1.51 0.00 0.00 54.79 52.30 1igo n ASP 13 Cb 0.49 -3.60 0.00 0.00 2.34 0.00 0.00 41.12 40.35 1igo n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1igo n GLY 14 N -1.74 3.14 3.80 0.27 0.00 -1.26 -4.13 105.19 105.27 1igo n GLY 14 Ca -0.26 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.40 1igo n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1igo s TYR 15 N -1.77 3.42 -0.26 1.61 1.51 -0.45 -4.95 117.35 116.46 1igo s TYR 15 Ca 0.00 0.39 -0.27 0.00 -1.01 0.00 0.00 57.07 56.18 1igo s TYR 15 Cb 0.00 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.98 1igo s TYR 15 CO 0.00 0.63 0.96 -0.51 -1.11 0.00 0.00 175.55 175.52 1igo s ASP 16 N -1.02 6.94 0.28 2.29 1.01 0.82 0.56 116.67 127.55 1igo s ASP 16 Ca 0.15 1.14 0.09 0.00 0.71 0.00 0.00 52.55 54.64 1igo s ASP 16 Cb -0.12 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1igo s ASP 16 CO 0.04 -0.66 0.05 -0.72 0.21 0.00 0.00 175.17 174.09 1igo s TYR 17 N 3.16 2.75 -0.28 4.23 -0.85 -0.14 -0.40 117.35 125.82 1igo s TYR 17 Ca 0.40 -0.25 -0.19 0.00 -0.52 0.00 0.00 57.07 56.52 1igo s TYR 17 Cb -0.14 -1.32 0.10 0.00 0.38 0.00 0.00 41.96 40.97 1igo s TYR 17 CO 0.09 0.55 0.79 -2.00 -1.52 0.00 0.00 175.55 173.45 1igo s GLU 18 N -3.73 0.65 -0.16 -3.49 2.12 -0.43 -2.02 118.70 111.63 1igo s GLU 18 Ca 0.33 1.00 -0.01 0.00 0.36 0.00 0.00 54.97 56.65 1igo s GLU 18 Cb -0.06 0.19 -0.01 0.00 0.26 0.00 0.00 34.13 34.52 1igo s GLU 18 CO 0.21 -0.12 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.53 1igo s LEU 19 N 1.17 2.70 0.00 2.70 0.20 -0.30 -2.02 118.68 123.13 1igo s LEU 19 Ca -0.06 -0.38 -0.00 0.00 0.69 0.00 0.00 54.13 54.37 1igo s LEU 19 Cb -0.05 -1.63 -0.00 0.00 -0.43 0.00 0.00 46.19 44.08 1igo s LEU 19 CO -0.13 0.09 0.00 0.86 -0.29 0.00 0.00 176.35 176.88 1igo s TRP 20 N 0.77 0.03 -0.11 5.38 -0.00 0.10 -1.92 118.94 123.19 1igo s TRP 20 Ca -0.05 -0.05 -0.27 0.00 -0.00 0.00 0.00 56.10 55.73 1igo s TRP 20 Cb -0.15 -0.02 0.06 0.00 -0.00 0.00 0.00 33.47 33.36 1igo s TRP 20 CO 0.01 -0.03 0.65 -1.59 -0.00 0.00 0.00 176.95 176.00 1igo s LYS 21 N -0.17 0.95 0.29 5.86 -2.85 -1.26 0.24 119.74 122.80 1igo s LYS 21 Ca -0.02 0.43 0.21 0.00 -1.00 0.00 0.00 55.97 55.59 1igo s LYS 21 Cb -0.01 0.45 0.13 0.00 -2.06 0.00 0.00 37.83 36.33 1igo s LYS 21 CO -0.00 -0.25 1.31 0.38 0.10 0.00 0.00 175.35 176.89 1igo h ASP 22 N 3.71 0.00 0.00 0.03 3.04 -1.81 -3.47 116.42 117.92 1igo h ASP 22 Ca -0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 1igo h ASP 22 Cb 1.15 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.44 1igo h ASP 22 CO 0.29 0.16 0.00 -0.24 -2.04 0.00 0.00 179.24 177.41 1igo n SER 23 N -2.96 0.00 0.00 4.15 2.88 -1.26 -4.97 113.62 111.45 1igo n SER 23 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1igo n SER 23 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 1igo n SER 23 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1igo n GLY 24 N -0.18 1.25 3.64 0.46 0.00 -1.24 -1.92 105.19 107.20 1igo n GLY 24 Ca 0.00 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.38 1igo n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1igo s ASN 25 N 0.00 6.70 -0.01 1.61 0.01 -0.55 -4.95 114.94 117.75 1igo s ASN 25 Ca 0.00 0.86 0.01 0.00 -0.71 0.00 0.00 52.86 53.03 1igo s ASN 25 Cb 0.00 -2.38 0.00 0.00 0.41 0.00 0.00 41.25 39.28 1igo s ASN 25 CO 0.00 -0.41 -0.04 0.42 -1.51 0.00 0.00 177.10 175.56 1igo s THR 26 N 2.54 0.36 -0.03 1.60 -4.23 -1.26 -1.81 115.64 112.80 1igo s THR 26 Ca 0.30 -0.16 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1igo s THR 26 Cb -0.15 -0.33 0.03 0.00 1.34 0.00 0.00 72.50 73.38 1igo s THR 26 CO 0.08 0.12 -0.00 -0.55 -0.54 0.00 0.00 174.62 173.73 1igo s SER 27 N 0.09 0.51 -0.04 3.99 0.15 -0.40 -4.27 113.70 113.72 1igo s SER 27 Ca -0.01 -0.03 0.01 0.00 0.70 0.00 0.00 55.95 56.63 1igo s SER 27 Cb -0.04 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.05 1igo s SER 27 CO -0.00 -0.10 -0.06 -0.32 1.20 0.00 0.00 173.24 173.95 1igo s MET 28 N 1.07 0.98 -0.21 5.44 1.75 0.10 -1.61 119.30 126.83 1igo s MET 28 Ca -0.09 -0.18 -0.04 0.00 -1.25 0.00 0.00 55.69 54.14 1igo s MET 28 Cb -0.13 -0.93 -0.01 0.00 2.84 0.00 0.00 34.83 36.60 1igo s MET 28 CO -0.02 -0.04 -0.05 0.99 -0.65 0.00 0.00 175.02 175.26 1igo s THR 29 N 0.78 3.40 -0.25 10.11 2.01 -0.54 -0.00 115.64 131.15 1igo s THR 29 Ca -0.12 -0.49 -0.23 0.00 0.31 0.00 0.00 61.69 61.16 1igo s THR 29 Cb -0.14 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 1igo s THR 29 CO 0.01 0.43 0.78 -0.76 -0.69 0.00 0.00 174.62 174.39 1igo s LEU 30 N 1.33 4.08 0.00 4.42 1.43 0.73 -1.56 118.68 129.11 1igo s LEU 30 Ca 0.04 0.92 0.02 0.00 -1.03 0.00 0.00 54.13 54.08 1igo s LEU 30 Cb -0.14 -3.10 0.02 0.00 0.03 0.00 0.00 46.19 43.00 1igo s LEU 30 CO -0.02 -0.50 0.18 0.59 0.23 0.00 0.00 176.35 176.83 1igo n ASN 31 N 5.97 2.28 -4.72 2.29 5.03 -0.38 -1.55 115.26 124.18 1igo n ASN 31 Ca 0.04 -2.21 -0.41 0.00 0.87 0.00 0.00 54.58 52.87 1igo n ASN 31 Cb 0.48 0.04 0.01 0.00 -1.02 0.00 0.00 39.78 39.29 1igo n ASN 31 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1igo n SER 32 N -1.71 2.85 0.00 6.41 7.64 -1.26 -4.26 113.62 123.28 1igo n SER 32 Ca -0.04 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1igo n SER 32 Cb 0.38 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.05 1igo n SER 32 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1igo n GLY 33 N 0.72 3.56 0.76 0.23 0.00 -1.26 -0.90 105.19 108.31 1igo n GLY 33 Ca 0.06 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1igo n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1igo n GLY 34 N 0.00 0.93 3.77 -0.02 0.00 -1.18 -4.50 105.19 104.19 1igo n GLY 34 Ca 0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 1igo n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1igo s ALA 35 N -1.45 3.21 -0.01 4.61 0.00 -0.08 -4.55 121.76 123.49 1igo s ALA 35 Ca 0.28 0.71 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 1igo s ALA 35 Cb 0.14 -3.26 0.10 0.00 0.00 0.00 0.00 23.12 20.11 1igo s ALA 35 CO 0.19 -0.08 0.99 -0.59 0.00 0.00 0.00 175.76 176.27 1igo s PHE 36 N -1.49 -0.24 0.16 0.00 -0.12 -0.87 -1.24 117.98 114.18 1igo s PHE 36 Ca 0.51 0.10 0.01 0.00 -0.05 0.00 0.00 56.93 57.50 1igo s PHE 36 Cb -0.24 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 1igo s PHE 36 CO 0.30 -0.51 0.02 -1.54 -0.05 0.00 0.00 175.22 173.44 1igo s SER 37 N -2.54 0.97 -0.04 1.98 1.04 -0.60 -0.36 113.70 114.15 1igo s SER 37 Ca 0.08 -1.19 -0.29 0.00 0.48 0.00 0.00 55.95 55.03 1igo s SER 37 Cb -0.01 0.17 0.09 0.00 0.10 0.00 0.00 66.02 66.37 1igo s SER 37 CO -0.06 -0.62 0.79 0.00 0.98 0.00 0.00 173.24 174.34 1igo s ALA 38 N -3.76 -1.80 -0.03 5.32 0.00 0.13 -1.47 121.76 120.15 1igo s ALA 38 Ca 0.24 1.21 -0.06 0.00 0.00 0.00 0.00 51.96 53.35 1igo s ALA 38 Cb 0.07 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.20 1igo s ALA 38 CO 0.04 -0.47 0.15 -1.14 0.00 0.00 0.00 175.76 174.33 1igo s GLN 39 N -1.90 0.31 0.06 0.00 0.74 -0.63 -0.38 119.66 117.86 1igo s GLN 39 Ca -0.04 -0.04 -0.16 0.00 0.05 0.00 0.00 55.36 55.17 1igo s GLN 39 Cb -0.00 0.13 0.03 0.00 1.10 0.00 0.00 33.01 34.27 1igo s GLN 39 CO 0.01 -0.06 0.37 1.67 -0.55 0.00 0.00 175.29 176.73 1igo s TRP 40 N -0.53 -0.19 0.06 1.67 -2.14 -0.43 -1.28 118.94 116.11 1igo s TRP 40 Ca -0.06 0.05 -0.26 0.00 2.66 0.00 0.00 56.10 58.49 1igo s TRP 40 Cb -0.04 0.18 0.09 0.00 -3.10 0.00 0.00 33.47 30.60 1igo s TRP 40 CO 0.01 -0.58 0.74 -1.54 -2.66 0.00 0.00 176.95 172.92 1igo s SER 41 N -2.23 -0.48 -1.39 -2.66 1.04 -0.75 -1.79 113.70 105.44 1igo s SER 41 Ca -0.03 0.06 -0.00 0.00 0.48 0.00 0.00 55.95 56.45 1igo s SER 41 Cb 0.00 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1igo s SER 41 CO -0.05 -0.78 0.50 0.59 0.98 0.00 0.00 173.24 174.48 1igo n ASN 42 N -0.20 -0.60 -4.80 7.02 3.02 -1.26 -1.49 115.26 116.95 1igo n ASN 42 Ca -0.13 -0.96 -0.22 0.00 -0.03 0.00 0.00 54.58 53.24 1igo n ASN 42 Cb 0.63 -3.31 -0.05 0.00 -0.61 0.00 0.00 39.78 36.44 1igo n ASN 42 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1igo s ILE 43 N -3.87 3.18 0.00 2.41 -4.36 -1.26 -3.68 121.20 113.61 1igo s ILE 43 Ca 0.02 -1.52 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 1igo s ILE 43 Cb -0.01 -3.07 0.00 0.00 1.25 0.00 0.00 42.46 40.63 1igo s ILE 43 CO 0.87 -0.15 0.00 0.61 0.24 0.00 0.00 174.94 176.50 1igo n GLY 44 N -1.28 0.14 3.18 6.27 0.00 -0.81 -3.25 105.19 109.44 1igo n GLY 44 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1igo n GLY 44 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1igo s ASN 45 N -1.00 2.14 -0.13 1.61 3.04 -1.26 -0.06 114.94 119.28 1igo s ASN 45 Ca 0.00 -0.36 -0.10 0.00 0.04 0.00 0.00 52.86 52.44 1igo s ASN 45 Cb 0.00 -0.23 0.04 0.00 -1.54 0.00 0.00 41.25 39.52 1igo s ASN 45 CO 0.00 0.21 0.34 0.00 -3.04 0.00 0.00 177.10 174.60 1igo s ALA 46 N -0.49 -0.84 -0.03 1.71 0.00 0.15 -2.06 121.76 120.20 1igo s ALA 46 Ca 0.07 1.08 0.03 0.00 0.00 0.00 0.00 51.96 53.14 1igo s ALA 46 Cb -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1igo s ALA 46 CO -0.00 -0.19 -0.11 -0.51 0.00 0.00 0.00 175.76 174.95 1igo s LEU 47 N 0.60 1.81 -0.07 0.00 1.02 0.14 -0.19 118.68 121.98 1igo s LEU 47 Ca -0.03 -0.23 0.02 0.00 0.02 0.00 0.00 54.13 53.90 1igo s LEU 47 Cb -0.05 -0.67 0.01 0.00 0.02 0.00 0.00 46.19 45.51 1igo s LEU 47 CO -0.04 0.09 -0.13 -0.36 0.02 0.00 0.00 176.35 175.93 1igo s PHE 48 N 0.18 1.57 0.10 0.29 0.08 -0.40 -0.72 117.98 119.07 1igo s PHE 48 Ca -0.04 -0.62 -0.25 0.00 0.12 0.00 0.00 56.93 56.14 1igo s PHE 48 Cb -0.10 -1.15 0.08 0.00 -0.57 0.00 0.00 43.02 41.28 1igo s PHE 48 CO 0.01 -0.32 0.75 -0.98 -0.10 0.00 0.00 175.22 174.57 1igo s ARG 49 N 0.76 1.11 -0.04 0.44 1.70 -0.86 -1.44 118.95 120.63 1igo s ARG 49 Ca -0.13 -0.44 -0.01 0.00 -0.47 0.00 0.00 55.73 54.68 1igo s ARG 49 Cb -0.16 0.49 0.03 0.00 -0.57 0.00 0.00 34.95 34.75 1igo s ARG 49 CO 0.03 -0.49 0.07 0.15 -1.08 0.00 0.00 175.30 173.98 1igo s LYS 50 N -3.47 -0.02 0.00 3.89 1.02 -1.18 -1.32 119.74 118.65 1igo s LYS 50 Ca 0.04 0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1igo s LYS 50 Cb -0.01 -0.32 0.00 0.00 -0.52 0.00 0.00 37.83 36.98 1igo s LYS 50 CO -0.09 -0.23 0.00 0.41 -0.92 0.00 0.00 175.35 174.51 1igo n GLY 51 N 4.65 1.79 3.10 -3.33 0.00 0.46 -3.24 105.19 108.61 1igo n GLY 51 Ca -0.18 0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 1igo n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1igo s LYS 52 N 4.63 2.40 -0.31 1.61 2.47 -0.29 -0.13 119.74 130.12 1igo s LYS 52 Ca 0.00 -0.63 -0.12 0.00 -1.56 0.00 0.00 55.97 53.65 1igo s LYS 52 Cb 0.00 -1.96 -0.03 0.00 -1.46 0.00 0.00 37.83 34.37 1igo s LYS 52 CO 0.00 -0.00 0.23 0.15 0.16 0.00 0.00 175.35 175.89 1igo s LYS 53 N 0.81 3.74 0.71 4.03 1.02 -1.26 -1.94 119.74 126.84 1igo s LYS 53 Ca -0.10 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.45 1igo s LYS 53 Cb -0.16 -3.73 0.13 0.00 -0.52 0.00 0.00 37.83 33.55 1igo s LYS 53 CO 0.01 -0.32 0.98 -0.06 -0.92 0.00 0.00 175.35 175.04 1igo s PHE 54 N 1.78 1.50 -2.53 3.18 0.08 0.10 -4.97 117.98 117.12 1igo s PHE 54 Ca 0.07 -0.34 0.24 0.00 0.12 0.00 0.00 56.93 57.02 1igo s PHE 54 Cb -0.17 -2.92 0.62 0.00 -0.57 0.00 0.00 43.02 39.99 1igo s PHE 54 CO 0.11 -1.69 1.50 -0.25 -0.10 0.00 0.00 175.22 174.78 1igo n ASP 55 N -2.80 2.34 -1.66 1.36 8.00 -1.26 -4.78 116.55 117.76 1igo n ASP 55 Ca 0.15 -1.79 -0.18 0.00 0.71 0.00 0.00 54.79 53.68 1igo n ASP 55 Cb 0.61 -0.10 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 1igo n ASP 55 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1igo n SER 56 N 0.79 -5.23 -0.00 -2.24 7.64 -0.50 -4.86 113.62 109.22 1igo n SER 56 Ca 0.17 0.27 0.06 0.00 1.01 0.00 0.00 58.87 60.38 1igo n SER 56 Cb 0.46 -4.32 -0.07 0.00 -1.01 0.00 0.00 64.21 59.27 1igo n SER 56 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1igo n THR 57 N -3.08 0.00 -4.55 0.44 -2.24 -1.26 -4.73 114.28 98.87 1igo n THR 57 Ca -0.20 -0.21 -0.23 0.00 -2.27 0.00 0.00 64.05 61.15 1igo n THR 57 Cb 0.62 0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 69.68 1igo n THR 57 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1igo s LYS 58 N -2.22 1.18 0.76 -0.78 1.02 -1.26 -4.99 119.74 113.45 1igo s LYS 58 Ca 0.04 -0.78 -0.11 0.00 0.02 0.00 0.00 55.97 55.14 1igo s LYS 58 Cb 0.09 -1.22 0.05 0.00 -0.52 0.00 0.00 37.83 36.24 1igo s LYS 58 CO 0.52 0.31 1.09 0.95 -0.92 0.00 0.00 175.35 177.30 1igo s THR 59 N -0.72 3.28 0.38 2.17 -4.23 -1.26 -0.65 115.64 114.60 1igo s THR 59 Ca 0.05 0.41 0.06 0.00 -1.18 0.00 0.00 61.69 61.03 1igo s THR 59 Cb -0.08 -3.24 0.22 0.00 1.34 0.00 0.00 72.50 70.74 1igo s THR 59 CO 0.01 -0.54 1.98 1.12 -0.54 0.00 0.00 174.62 176.65 1igo h HIS 60 N -0.92 0.52 -0.30 3.99 2.07 -1.94 -1.69 115.15 116.88 1igo h HIS 60 Ca -0.46 -0.02 -0.04 0.00 -2.85 0.00 0.00 60.37 57.00 1igo h HIS 60 Cb 1.26 -0.17 -0.02 0.00 2.57 0.00 0.00 27.41 31.06 1igo h HIS 60 CO 0.49 0.41 0.01 0.66 -3.07 0.00 0.00 177.93 176.43 1igo h SER 61 N 0.53 0.42 -0.29 3.10 4.64 -1.92 -1.52 113.55 118.52 1igo h SER 61 Ca 0.13 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 1igo h SER 61 Cb 0.11 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1igo h SER 61 CO -0.01 0.48 -0.42 1.56 -0.87 0.00 0.00 176.83 177.57 1igo h GLN 62 N 0.44 0.84 -0.05 4.77 4.20 -1.67 -3.05 115.11 120.59 1igo h GLN 62 Ca 0.10 -0.46 -0.09 0.00 0.06 0.00 0.00 58.65 58.26 1igo h GLN 62 Cb 0.28 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1igo h GLN 62 CO 0.01 1.10 -0.37 -0.07 -0.67 0.00 0.00 178.83 178.82 1igo h LEU 63 N 0.68 0.11 0.00 1.46 3.38 -1.06 -3.49 115.31 116.38 1igo h LEU 63 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1igo h LEU 63 Cb 1.00 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1igo h LEU 63 CO 0.10 0.47 0.00 0.61 0.09 0.00 0.00 178.44 179.71 1igo n GLY 64 N -0.38 1.47 3.68 0.83 0.00 -0.62 -4.29 105.19 105.87 1igo n GLY 64 Ca -0.02 -2.08 -0.46 0.00 0.00 0.00 0.00 46.02 43.46 1igo n GLY 64 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1igo n ASN 65 N 0.00 3.32 -4.55 1.61 5.15 -1.26 -4.49 115.26 115.04 1igo n ASN 65 Ca 0.00 1.04 -0.34 0.00 -0.60 0.00 0.00 54.58 54.68 1igo n ASN 65 Cb 0.00 -1.43 -0.11 0.00 -0.53 0.00 0.00 39.78 37.71 1igo n ASN 65 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1igo s ILE 66 N 2.03 4.23 0.03 -1.44 1.01 -1.26 -0.84 121.20 124.96 1igo s ILE 66 Ca 0.83 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 61.17 1igo s ILE 66 Cb -0.66 -2.87 -0.00 0.00 0.01 0.00 0.00 42.46 38.94 1igo s ILE 66 CO 0.42 0.48 0.15 -0.55 0.00 0.00 0.00 174.94 175.44 1igo s SER 67 N 0.35 0.09 -0.02 3.58 0.15 -0.85 -1.97 113.70 115.03 1igo s SER 67 Ca -0.01 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1igo s SER 67 Cb -0.13 0.26 0.03 0.00 -1.71 0.00 0.00 66.02 64.46 1igo s SER 67 CO 0.02 -0.52 0.01 -0.63 1.20 0.00 0.00 173.24 173.32 1igo s ILE 68 N -2.46 0.09 -0.17 6.45 1.01 -0.91 -0.76 121.20 124.45 1igo s ILE 68 Ca -0.06 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 1igo s ILE 68 Cb -0.02 -0.19 -0.02 0.00 0.01 0.00 0.00 42.46 42.25 1igo s ILE 68 CO -0.04 0.11 -0.08 0.20 0.00 0.00 0.00 174.94 175.14 1igo s ASN 69 N 0.94 4.27 0.07 3.58 0.01 -0.65 -0.20 114.94 122.97 1igo s ASN 69 Ca -0.09 -0.31 -0.01 0.00 -0.71 0.00 0.00 52.86 51.74 1igo s ASN 69 Cb -0.12 -1.69 -0.04 0.00 0.41 0.00 0.00 41.25 39.81 1igo s ASN 69 CO -0.02 0.10 0.01 -0.72 -1.51 0.00 0.00 177.10 174.96 1igo s TYR 70 N 0.72 0.60 -0.08 2.20 1.13 0.22 -1.11 117.35 121.03 1igo s TYR 70 Ca -0.04 -1.09 -0.03 0.00 -1.41 0.00 0.00 57.07 54.50 1igo s TYR 70 Cb -0.15 -0.40 0.05 0.00 -1.10 0.00 0.00 41.96 40.36 1igo s TYR 70 CO 0.02 -0.43 0.16 1.21 -2.51 0.00 0.00 175.55 174.00 1igo s ASN 71 N -2.95 0.41 0.12 -0.18 3.84 0.50 -0.97 114.94 115.72 1igo s ASN 71 Ca 0.12 0.34 -0.13 0.00 0.21 0.00 0.00 52.86 53.39 1igo s ASN 71 Cb 0.08 0.27 0.02 0.00 -0.55 0.00 0.00 41.25 41.07 1igo s ASN 71 CO -0.07 -0.21 0.34 0.00 -2.79 0.00 0.00 177.10 174.37 1igo s ALA 72 N 1.89 -0.65 -0.09 1.71 0.00 0.59 -1.56 121.76 123.66 1igo s ALA 72 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1igo s ALA 72 Cb -0.12 0.66 -0.03 0.00 0.00 0.00 0.00 23.12 23.64 1igo s ALA 72 CO -0.06 -0.62 -0.07 -0.08 0.00 0.00 0.00 175.76 174.93 1igo s THR 73 N -3.84 3.65 -0.14 0.00 -1.32 0.21 -4.69 115.64 109.51 1igo s THR 73 Ca 0.05 -0.48 -0.06 0.00 -1.21 0.00 0.00 61.69 59.99 1igo s THR 73 Cb 0.03 -2.51 0.07 0.00 -1.51 0.00 0.00 72.50 68.57 1igo s THR 73 CO -0.10 0.57 0.30 0.12 -2.21 0.00 0.00 174.62 173.31 1igo s PHE 74 N -0.49 -0.50 -0.35 9.09 5.36 -1.26 -0.63 117.98 129.20 1igo s PHE 74 Ca 0.07 1.09 0.01 0.00 -0.96 0.00 0.00 56.93 57.14 1igo s PHE 74 Cb -0.12 0.07 0.09 0.00 -0.34 0.00 0.00 43.02 42.73 1igo s PHE 74 CO 0.02 -0.36 0.08 1.21 -1.46 0.00 0.00 175.22 174.70 1igo s ASN 75 N 2.21 4.90 0.14 6.13 3.04 0.48 -5.00 114.94 126.85 1igo s ASN 75 Ca -0.02 -1.94 -0.20 0.00 0.04 0.00 0.00 52.86 50.75 1igo s ASN 75 Cb -0.11 -1.69 0.02 0.00 -1.54 0.00 0.00 41.25 37.93 1igo s ASN 75 CO -0.10 -0.40 1.68 -0.65 -3.04 0.00 0.00 177.10 174.59 1igo h PRO 76 N 7.81 -0.06 -5.61 0.43 0.11 -1.91 -2.61 132.00 130.16 1igo h PRO 76 Ca -0.10 0.00 -0.42 0.00 0.11 0.00 0.00 66.00 65.59 1igo h PRO 76 Cb 1.04 0.01 0.03 0.00 0.11 0.00 0.00 31.00 32.19 1igo h PRO 76 CO 0.57 -0.04 -0.67 0.41 -0.21 0.00 0.00 178.00 178.06 1igo n GLY 77 N -1.27 -0.52 0.00 -0.55 0.00 -1.26 -4.10 105.19 97.49 1igo n GLY 77 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1igo n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1igo n GLY 78 N -1.68 0.23 3.49 -0.02 0.00 -1.26 -0.67 105.19 105.27 1igo n GLY 78 Ca -0.01 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 1igo n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1igo s ASN 79 N -4.00 6.25 0.02 1.61 2.47 -1.26 -1.49 114.94 118.54 1igo s ASN 79 Ca 0.00 -0.64 -0.06 0.00 0.42 0.00 0.00 52.86 52.58 1igo s ASN 79 Cb 0.00 -2.44 -0.01 0.00 -1.45 0.00 0.00 41.25 37.36 1igo s ASN 79 CO 0.00 -1.37 0.10 -0.44 -3.72 0.00 0.00 177.10 171.68 1igo s SER 80 N 3.28 0.10 0.07 -4.21 0.01 -1.26 -1.57 113.70 110.12 1igo s SER 80 Ca 0.27 -0.35 0.08 0.00 1.31 0.00 0.00 55.95 57.26 1igo s SER 80 Cb -0.14 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.26 1igo s SER 80 CO 0.15 -0.40 -0.20 -0.31 0.41 0.00 0.00 173.24 172.88 1igo s TYR 81 N -1.77 1.77 -0.26 2.43 2.02 0.12 -1.68 117.35 119.97 1igo s TYR 81 Ca -0.12 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 1igo s TYR 81 Cb -0.06 -1.01 0.05 0.00 -0.40 0.00 0.00 41.96 40.54 1igo s TYR 81 CO -0.01 0.14 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.85 1igo s LEU 82 N -1.52 3.42 0.00 -1.29 2.96 -0.62 -0.54 118.68 121.10 1igo s LEU 82 Ca 0.07 -1.31 -0.07 0.00 -0.22 0.00 0.00 54.13 52.59 1igo s LEU 82 Cb -0.09 -1.58 0.03 0.00 0.50 0.00 0.00 46.19 45.05 1igo s LEU 82 CO 0.03 -0.19 0.46 0.00 -1.32 0.00 0.00 176.35 175.34 1igo s VAL 84 N -2.49 4.13 0.17 0.00 1.01 -0.84 0.26 120.40 122.65 1igo s VAL 84 Ca 0.13 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.92 1igo s VAL 84 Cb -0.03 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1igo s VAL 84 CO 0.09 0.43 -0.13 -0.47 0.00 0.00 0.00 175.10 175.02 1igo s TYR 85 N 0.87 1.53 -1.59 5.22 6.14 0.33 -1.96 117.35 127.89 1igo s TYR 85 Ca 0.01 -0.63 0.00 0.00 0.64 0.00 0.00 57.07 57.10 1igo s TYR 85 Cb -0.14 -0.74 0.00 0.00 0.42 0.00 0.00 41.96 41.50 1igo s TYR 85 CO 0.02 0.24 0.00 0.41 0.64 0.00 0.00 175.55 176.86 1igo n GLY 86 N -0.18 -1.52 3.25 8.97 0.00 -1.09 -0.60 105.19 114.03 1igo n GLY 86 Ca -0.10 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 1igo n GLY 86 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1igo s TRP 87 N -2.41 0.64 0.10 1.61 0.52 -1.13 -1.51 118.94 116.75 1igo s TRP 87 Ca 0.00 -1.00 0.00 0.00 0.02 0.00 0.00 56.10 55.12 1igo s TRP 87 Cb 0.00 -0.27 -0.04 0.00 -1.15 0.00 0.00 33.47 32.01 1igo s TRP 87 CO 0.00 -0.63 -0.02 0.95 0.02 0.00 0.00 176.95 177.27 1igo s THR 88 N -4.01 0.44 0.14 2.01 -4.23 0.02 -0.76 115.64 109.25 1igo s THR 88 Ca 0.21 -1.90 0.08 0.00 -1.18 0.00 0.00 61.69 58.90 1igo s THR 88 Cb 0.05 -1.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.08 1igo s THR 88 CO 0.01 -0.77 -0.18 -0.54 -0.54 0.00 0.00 174.62 172.60 1igo s LYS 89 N -3.91 1.17 -0.79 3.99 1.02 0.28 -1.13 119.74 120.37 1igo s LYS 89 Ca 0.15 -1.29 -0.01 0.00 0.02 0.00 0.00 55.97 54.83 1igo s LYS 89 Cb 0.07 -1.24 0.00 0.00 -0.52 0.00 0.00 37.83 36.13 1igo s LYS 89 CO -0.04 0.26 0.63 -0.25 -0.92 0.00 0.00 175.35 175.04 1igo n ASP 90 N 0.58 -5.72 -4.87 2.83 9.92 -1.26 -0.66 116.55 117.37 1igo n ASP 90 Ca -0.16 -0.68 -0.30 0.00 -0.53 0.00 0.00 54.79 53.12 1igo n ASP 90 Cb 0.56 -2.72 -0.00 0.00 -0.64 0.00 0.00 41.12 38.31 1igo n ASP 90 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1igo s PRO 91 N -4.32 3.66 -0.13 -0.24 0.04 -1.26 -4.10 135.00 128.66 1igo s PRO 91 Ca 0.01 0.62 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 1igo s PRO 91 Cb -0.00 -2.19 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 1igo s PRO 91 CO 0.85 -0.38 1.22 -1.17 0.04 0.00 0.00 177.00 177.57 1igo s LEU 92 N -4.75 4.21 -0.08 -3.56 2.96 -1.26 -4.16 118.68 112.05 1igo s LEU 92 Ca 0.53 1.71 -0.07 0.00 -0.22 0.00 0.00 54.13 56.08 1igo s LEU 92 Cb -0.11 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.06 1igo s LEU 92 CO 0.46 -0.68 0.21 -0.89 -1.32 0.00 0.00 176.35 174.12 1igo s THR 93 N 2.99 -0.00 -0.10 3.68 2.01 -0.29 -4.04 115.64 119.88 1igo s THR 93 Ca 0.54 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.54 1igo s THR 93 Cb -0.22 -0.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.97 1igo s THR 93 CO 0.17 0.00 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.31 1igo s GLU 94 N 0.11 3.13 0.03 4.92 2.12 -1.10 -0.80 118.70 127.11 1igo s GLU 94 Ca -0.00 -0.60 0.03 0.00 0.36 0.00 0.00 54.97 54.76 1igo s GLU 94 Cb -0.01 -2.66 -0.02 0.00 0.26 0.00 0.00 34.13 31.70 1igo s GLU 94 CO 0.00 0.43 -0.09 1.52 -0.54 0.00 0.00 175.26 176.58 1igo s TYR 95 N -0.19 0.77 0.04 5.30 -0.85 -0.57 -0.81 117.35 121.04 1igo s TYR 95 Ca 0.02 -0.35 0.05 0.00 -0.52 0.00 0.00 57.07 56.26 1igo s TYR 95 Cb -0.13 -0.46 -0.02 0.00 0.38 0.00 0.00 41.96 41.73 1igo s TYR 95 CO 0.03 -0.03 -0.15 0.71 -1.52 0.00 0.00 175.55 174.59 1igo s TYR 96 N -0.92 1.30 -0.38 -3.49 1.51 0.72 -2.66 117.35 113.44 1igo s TYR 96 Ca -0.04 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1igo s TYR 96 Cb -0.07 -0.77 0.13 0.00 -0.11 0.00 0.00 41.96 41.13 1igo s TYR 96 CO 0.01 0.04 0.20 0.42 -1.11 0.00 0.00 175.55 175.11 1igo s ILE 97 N -0.83 0.81 -0.23 2.71 1.01 -0.83 -1.02 121.20 122.82 1igo s ILE 97 Ca 0.02 -1.99 -0.22 0.00 0.00 0.00 0.00 60.65 58.46 1igo s ILE 97 Cb -0.08 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 1igo s ILE 97 CO 0.01 -0.89 0.69 -0.69 0.00 0.00 0.00 174.94 174.07 1igo s VAL 98 N 0.88 4.95 -0.11 2.92 1.01 0.32 -1.99 120.40 128.38 1igo s VAL 98 Ca 0.16 1.28 0.18 0.00 0.00 0.00 0.00 61.98 63.60 1igo s VAL 98 Cb -0.23 -3.99 -0.26 0.00 0.00 0.00 0.00 36.38 31.90 1igo s VAL 98 CO -0.05 0.02 0.42 0.47 0.00 0.00 0.00 175.10 175.96 1igo n ASP 99 N 5.61 0.96 -3.71 3.32 8.00 -0.93 -0.72 116.55 129.08 1igo n ASP 99 Ca 0.01 -0.10 -0.13 0.00 0.71 0.00 0.00 54.79 55.28 1igo n ASP 99 Cb 0.49 1.71 -0.07 0.00 -0.02 0.00 0.00 41.12 43.23 1igo n ASP 99 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1igo s ASN 100 N -3.86 -0.23 0.25 -2.24 3.84 -1.07 -1.81 114.94 109.82 1igo s ASN 100 Ca -0.05 0.02 -0.19 0.00 0.21 0.00 0.00 52.86 52.85 1igo s ASN 100 Cb 0.11 0.37 0.02 0.00 -0.55 0.00 0.00 41.25 41.21 1igo s ASN 100 CO 0.73 -0.57 0.64 -1.66 -2.79 0.00 0.00 177.10 173.44 1igo s TRP 101 N -2.02 -0.09 0.00 0.43 -2.14 -1.26 -1.58 118.94 112.27 1igo s TRP 101 Ca -0.08 -0.32 0.00 0.00 2.66 0.00 0.00 56.10 58.36 1igo s TRP 101 Cb -0.02 0.55 0.00 0.00 -3.10 0.00 0.00 33.47 30.90 1igo s TRP 101 CO 0.00 -1.12 0.00 0.41 -2.66 0.00 0.00 176.95 173.58 1igo n GLY 102 N -0.42 0.48 0.01 3.67 0.00 -0.67 -4.90 105.19 103.35 1igo n GLY 102 Ca -0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.04 1igo n GLY 102 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1igo n THR 103 N 0.00 1.08 -4.12 2.61 -2.24 -0.55 -4.62 114.28 106.43 1igo n THR 103 Ca 0.00 0.27 -0.28 0.00 -2.27 0.00 0.00 64.05 61.78 1igo n THR 103 Cb 0.00 -1.05 -0.17 0.00 -2.10 0.00 0.00 70.33 67.01 1igo n THR 103 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1igo s TYR 104 N -3.02 1.75 -0.23 4.78 5.04 -1.26 -4.99 117.35 119.42 1igo s TYR 104 Ca 0.06 -0.88 -0.19 0.00 -2.44 0.00 0.00 57.07 53.62 1igo s TYR 104 Cb 0.09 -1.34 -0.03 0.00 0.35 0.00 0.00 41.96 41.03 1igo s TYR 104 CO 0.25 -0.52 0.57 0.50 -1.34 0.00 0.00 175.55 175.01 1igo s ARG 105 N 1.39 4.14 0.18 4.97 3.52 -1.26 -4.84 118.95 127.04 1igo s ARG 105 Ca 0.00 0.46 -0.33 0.00 -0.13 0.00 0.00 55.73 55.74 1igo s ARG 105 Cb -0.13 -3.62 -0.14 0.00 -1.56 0.00 0.00 34.95 29.50 1igo s ARG 105 CO -0.06 -0.30 1.47 -2.30 -0.81 0.00 0.00 175.30 173.30 1igo n PRO 106 N 5.31 1.92 -4.21 5.12 -0.02 -1.26 -4.98 135.00 136.89 1igo n PRO 106 Ca -0.03 0.69 -0.15 0.00 -2.02 0.00 0.00 63.50 61.99 1igo n PRO 106 Cb 0.50 -2.39 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 1igo n PRO 106 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1igo s THR 107 N 0.50 0.00 -1.53 3.45 -1.32 -1.26 -4.95 115.64 110.53 1igo s THR 107 Ca 0.76 -1.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.31 1igo s THR 107 Cb -0.72 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 67.78 1igo s THR 107 CO 0.43 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.45 1igo n GLY 108 N -0.45 -0.55 3.61 6.08 0.00 -1.26 -4.95 105.19 107.66 1igo n GLY 108 Ca 0.04 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 1igo n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1igo s THR 109 N -3.09 3.43 0.33 2.61 2.01 0.28 -4.75 115.64 116.46 1igo s THR 109 Ca 0.00 0.46 -0.29 0.00 0.31 0.00 0.00 61.69 62.17 1igo s THR 109 Cb 0.00 -3.51 -0.12 0.00 0.01 0.00 0.00 72.50 68.87 1igo s THR 109 CO 0.00 -0.28 1.40 -2.65 -0.69 0.00 0.00 174.62 172.40 1igo n PRO 110 N 8.21 2.33 0.00 4.92 -0.02 -1.26 -0.96 135.00 148.21 1igo n PRO 110 Ca 0.23 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1igo n PRO 110 Cb 0.46 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1igo n PRO 110 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1igo n LYS 111 N 1.03 0.54 -1.97 -0.52 5.02 -0.31 -4.86 118.16 117.09 1igo n LYS 111 Ca 0.06 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 1igo n LYS 111 Cb 0.36 -0.34 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 1igo n LYS 111 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1igo n GLY 112 N 0.09 -0.34 3.08 0.72 0.00 -1.22 -4.98 105.19 102.53 1igo n GLY 112 Ca 0.00 -1.59 -0.14 0.00 0.00 0.00 0.00 46.02 44.29 1igo n GLY 112 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1igo s THR 113 N -2.28 0.66 -0.15 2.61 -1.32 -1.26 -1.14 115.64 112.76 1igo s THR 113 Ca 0.00 -1.08 -0.06 0.00 -1.21 0.00 0.00 61.69 59.33 1igo s THR 113 Cb 0.00 -0.69 0.07 0.00 -1.51 0.00 0.00 72.50 70.36 1igo s THR 113 CO 0.00 -0.32 0.32 0.12 -2.21 0.00 0.00 174.62 172.53 1igo s PHE 114 N -1.29 -0.52 -0.20 9.09 5.36 -0.02 -4.94 117.98 125.45 1igo s PHE 114 Ca -0.08 1.12 -0.06 0.00 -0.96 0.00 0.00 56.93 56.95 1igo s PHE 114 Cb -0.10 0.12 -0.03 0.00 -0.34 0.00 0.00 43.02 42.67 1igo s PHE 114 CO 0.01 -0.35 0.04 0.95 -1.46 0.00 0.00 175.22 174.40 1igo s THR 115 N 2.00 4.39 0.10 0.12 -4.23 -1.26 0.14 115.64 116.90 1igo s THR 115 Ca -0.04 -0.17 -0.25 0.00 -1.18 0.00 0.00 61.69 60.05 1igo s THR 115 Cb -0.11 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.82 1igo s THR 115 CO -0.10 0.42 0.74 0.54 -0.54 0.00 0.00 174.62 175.68 1igo s VAL 116 N 0.86 0.00 -1.49 2.29 0.11 0.19 -4.93 120.40 117.43 1igo s VAL 116 Ca 0.03 -0.08 -0.09 0.00 -2.93 0.00 0.00 61.98 58.90 1igo s VAL 116 Cb -0.14 -1.09 0.06 0.00 -1.53 0.00 0.00 36.38 33.68 1igo s VAL 116 CO 0.02 0.00 0.82 0.47 -3.33 0.00 0.00 175.10 173.08 1igo n ASP 117 N -0.33 -3.18 -0.19 3.54 8.00 -1.26 -0.41 116.55 122.71 1igo n ASP 117 Ca -0.12 -0.85 -0.03 0.00 0.71 0.00 0.00 54.79 54.50 1igo n ASP 117 Cb 0.63 -3.67 -0.01 0.00 -0.02 0.00 0.00 41.12 38.05 1igo n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1igo n GLY 118 N -1.66 0.43 3.34 0.44 0.00 -1.26 -4.88 105.19 101.60 1igo n GLY 118 Ca -0.08 -0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 1igo n GLY 118 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1igo s GLY 119 N -2.17 2.14 -0.14 -0.02 0.00 0.46 -5.14 107.32 102.44 1igo s GLY 119 Ca 0.00 -1.75 -0.00 0.00 0.00 0.00 0.00 44.72 42.97 1igo s GLY 119 CO 0.00 -1.59 -0.09 -1.59 0.00 0.00 0.00 173.10 169.83 1igo s THR 120 N -3.56 1.28 -0.02 0.90 2.01 -1.26 0.55 115.64 115.54 1igo s THR 120 Ca 0.35 -0.54 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 1igo s THR 120 Cb 0.04 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1igo s THR 120 CO 0.19 0.32 0.12 -0.31 -0.69 0.00 0.00 174.62 174.25 1igo s TYR 121 N 1.59 3.40 -0.16 4.92 1.51 0.37 -0.91 117.35 128.06 1igo s TYR 121 Ca 0.03 0.28 -0.16 0.00 -1.01 0.00 0.00 57.07 56.22 1igo s TYR 121 Cb -0.14 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 1igo s TYR 121 CO -0.09 0.60 0.40 -0.51 -1.11 0.00 0.00 175.55 174.84 1igo s ASP 122 N -1.71 6.54 -0.19 2.29 1.01 0.84 -0.84 116.67 124.61 1igo s ASP 122 Ca 0.23 0.64 -0.09 0.00 0.71 0.00 0.00 52.55 54.04 1igo s ASP 122 Cb -0.12 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 1igo s ASP 122 CO 0.14 -0.00 0.12 -0.63 0.21 0.00 0.00 175.17 175.01 1igo s ILE 123 N 0.83 5.33 0.10 0.77 1.01 -0.29 -1.01 121.20 127.95 1igo s ILE 123 Ca 0.21 0.16 0.03 0.00 0.00 0.00 0.00 60.65 61.05 1igo s ILE 123 Cb -0.14 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 1igo s ILE 123 CO 0.08 0.47 -0.09 -0.31 0.00 0.00 0.00 174.94 175.09 1igo s TYR 124 N 0.17 1.01 0.00 3.97 1.51 0.03 -1.16 117.35 122.88 1igo s TYR 124 Ca 0.08 -0.77 0.02 0.00 -1.01 0.00 0.00 57.07 55.40 1igo s TYR 124 Cb -0.11 -0.55 -0.01 0.00 -0.11 0.00 0.00 41.96 41.18 1igo s TYR 124 CO -0.01 -0.05 -0.06 -2.00 -1.11 0.00 0.00 175.55 172.32 1igo s GLU 125 N -3.31 0.48 0.02 -0.62 2.12 -0.14 -0.38 118.70 116.88 1igo s GLU 125 Ca 0.09 -0.26 -0.09 0.00 0.36 0.00 0.00 54.97 55.07 1igo s GLU 125 Cb 0.01 -0.45 0.00 0.00 0.26 0.00 0.00 34.13 33.95 1igo s GLU 125 CO -0.02 0.12 0.18 0.95 -0.54 0.00 0.00 175.26 175.95 1igo s THR 126 N -0.25 0.10 -0.07 -1.70 -4.23 -0.77 -0.56 115.64 108.16 1igo s THR 126 Ca 0.01 -0.83 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1igo s THR 126 Cb -0.03 -0.75 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 1igo s THR 126 CO -0.00 -0.45 -0.06 -0.89 -0.54 0.00 0.00 174.62 172.67 1igo s THR 127 N -2.12 3.79 -0.27 3.99 2.01 -1.26 0.96 115.64 122.74 1igo s THR 127 Ca -0.09 -0.45 -0.04 0.00 0.31 0.00 0.00 61.69 61.43 1igo s THR 127 Cb -0.03 -2.56 0.02 0.00 0.01 0.00 0.00 72.50 69.94 1igo s THR 127 CO -0.02 0.60 -0.01 -0.13 -0.69 0.00 0.00 174.62 174.37 1igo s ARG 128 N -0.79 2.94 -0.31 4.92 1.81 0.27 -4.94 118.95 122.85 1igo s ARG 128 Ca 0.12 -0.93 -0.09 0.00 -1.72 0.00 0.00 55.73 53.12 1igo s ARG 128 Cb -0.11 -3.13 -0.00 0.00 -0.45 0.00 0.00 34.95 31.25 1igo s ARG 128 CO 0.02 -0.41 0.13 0.42 -0.68 0.00 0.00 175.30 174.77 1igo s ILE 129 N 1.39 4.39 -1.06 1.52 1.01 -1.26 0.26 121.20 127.46 1igo s ILE 129 Ca 0.01 -0.51 -0.12 0.00 0.00 0.00 0.00 60.65 60.02 1igo s ILE 129 Cb -0.17 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1igo s ILE 129 CO -0.02 0.07 0.83 0.59 0.00 0.00 0.00 174.94 176.42 1igo n ASN 130 N 4.94 -6.08 -4.47 3.58 3.02 -0.96 -4.92 115.26 110.37 1igo n ASN 130 Ca -0.14 -0.81 -0.23 0.00 -0.03 0.00 0.00 54.58 53.37 1igo n ASN 130 Cb 0.49 -4.23 -0.10 0.00 -0.61 0.00 0.00 39.78 35.32 1igo n ASN 130 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1igo s GLN 131 N -5.04 1.64 0.36 3.52 -1.52 0.54 -4.73 119.66 114.43 1igo s GLN 131 Ca 0.41 -1.80 -0.28 0.00 -1.95 0.00 0.00 55.36 51.74 1igo s GLN 131 Cb -0.11 -1.52 -0.11 0.00 -0.22 0.00 0.00 33.01 31.05 1igo s GLN 131 CO 0.80 0.19 1.52 -2.14 -0.25 0.00 0.00 175.29 175.41 1igo s PRO 132 N -3.61 4.10 0.29 2.91 0.02 -1.26 -0.97 135.00 136.48 1igo s PRO 132 Ca 0.30 2.59 -0.02 0.00 0.02 0.00 0.00 61.00 63.89 1igo s PRO 132 Cb -0.00 -2.98 -0.02 0.00 0.02 0.00 0.00 34.50 31.53 1igo s PRO 132 CO 0.14 -0.57 0.35 -1.54 -0.33 0.00 0.00 177.00 175.04 1igo s SER 133 N 0.02 0.74 0.65 2.53 1.04 -0.82 -4.85 113.70 113.01 1igo s SER 133 Ca 0.55 -1.44 0.41 0.00 0.48 0.00 0.00 55.95 55.96 1igo s SER 133 Cb -0.47 0.56 2.27 0.00 0.10 0.00 0.00 66.02 68.48 1igo s SER 133 CO 0.60 -1.11 2.34 0.16 0.98 0.00 0.00 173.24 176.21 1igo h ILE 134 N 2.27 0.12 -0.29 -1.02 3.07 -2.01 -0.88 117.51 118.77 1igo h ILE 134 Ca -0.29 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.09 1igo h ILE 134 Cb 1.24 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.81 1igo h ILE 134 CO 0.41 0.00 0.00 2.30 -1.05 0.00 0.00 178.15 179.81 1igo n ILE 135 N -3.25 0.86 0.00 0.16 -5.35 -1.26 -5.10 119.36 105.42 1igo n ILE 135 Ca -0.03 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.52 1igo n ILE 135 Cb 0.08 0.60 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 1igo n ILE 135 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1igo n GLY 136 N 0.48 -1.29 3.68 3.28 0.00 -0.34 -4.95 105.19 106.05 1igo n GLY 136 Ca 0.10 -2.19 -0.48 0.00 0.00 0.00 0.00 46.02 43.45 1igo n GLY 136 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1igo n ILE 137 N -0.20 0.59 -3.92 -0.61 2.08 -1.26 -1.95 119.36 114.09 1igo n ILE 137 Ca 0.00 -0.11 -0.08 0.00 0.56 0.00 0.00 62.75 63.12 1igo n ILE 137 Cb 0.00 -1.90 -0.03 0.00 -0.75 0.00 0.00 39.64 36.96 1igo n ILE 137 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1igo s ALA 138 N 4.10 -0.72 -0.09 -1.39 0.00 -0.15 -4.85 121.76 118.66 1igo s ALA 138 Ca 0.93 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1igo s ALA 138 Cb -0.68 0.94 -0.03 0.00 0.00 0.00 0.00 23.12 23.36 1igo s ALA 138 CO 0.51 -0.95 -0.08 0.99 0.00 0.00 0.00 175.76 176.23 1igo s THR 139 N -3.85 3.60 0.12 0.00 2.01 -1.26 -0.34 115.64 115.93 1igo s THR 139 Ca 0.17 -0.50 -0.26 0.00 0.31 0.00 0.00 61.69 61.41 1igo s THR 139 Cb -0.04 -2.49 0.07 0.00 0.01 0.00 0.00 72.50 70.06 1igo s THR 139 CO 0.08 0.57 0.88 0.72 -0.69 0.00 0.00 174.62 176.19 1igo s PHE 140 N -0.48 -0.24 -0.00 4.92 -0.71 0.14 -4.93 117.98 116.68 1igo s PHE 140 Ca 0.07 -0.03 -0.09 0.00 -1.04 0.00 0.00 56.93 55.84 1igo s PHE 140 Cb -0.12 0.61 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 1igo s PHE 140 CO 0.02 -0.79 0.30 0.15 -1.34 0.00 0.00 175.22 173.56 1igo s LYS 141 N -3.34 3.66 -0.12 1.99 1.02 -1.26 0.94 119.74 122.63 1igo s LYS 141 Ca 0.09 0.06 -0.04 0.00 0.02 0.00 0.00 55.97 56.10 1igo s LYS 141 Cb -0.02 -3.11 -0.03 0.00 -0.52 0.00 0.00 37.83 34.15 1igo s LYS 141 CO -0.02 0.66 0.03 -0.65 -0.92 0.00 0.00 175.35 174.45 1igo s GLN 142 N -1.51 3.37 -0.12 1.68 -0.21 0.27 -2.73 119.66 120.40 1igo s GLN 142 Ca 0.25 -0.38 -0.02 0.00 0.02 0.00 0.00 55.36 55.24 1igo s GLN 142 Cb -0.14 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 30.89 1igo s GLN 142 CO 0.14 0.55 -0.06 0.71 -2.12 0.00 0.00 175.29 174.50 1igo s TYR 143 N -0.43 2.97 -0.04 0.91 2.02 0.01 -1.84 117.35 120.95 1igo s TYR 143 Ca 0.09 -0.25 0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1igo s TYR 143 Cb -0.12 -1.86 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 1igo s TYR 143 CO 0.02 0.06 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.36 1igo s TRP 144 N -0.02 1.30 -0.23 2.71 0.52 0.48 -0.20 118.94 123.51 1igo s TRP 144 Ca -0.00 -0.38 0.00 0.00 0.02 0.00 0.00 56.10 55.75 1igo s TRP 144 Cb -0.13 -0.91 0.06 0.00 -1.15 0.00 0.00 33.47 31.33 1igo s TRP 144 CO 0.03 -0.16 -0.04 -1.12 0.02 0.00 0.00 176.95 175.68 1igo s SER 145 N 0.25 3.76 -0.23 2.95 0.01 -0.19 -0.79 113.70 119.47 1igo s SER 145 Ca -0.06 -1.15 -0.01 0.00 1.31 0.00 0.00 55.95 56.03 1igo s SER 145 Cb -0.11 -1.12 0.02 0.00 0.21 0.00 0.00 66.02 65.02 1igo s SER 145 CO 0.02 -0.25 -0.09 -0.69 0.41 0.00 0.00 173.24 172.64 1igo s VAL 146 N 1.44 2.77 0.38 3.43 1.01 -0.18 0.12 120.40 129.38 1igo s VAL 146 Ca -0.05 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.75 1igo s VAL 146 Cb -0.19 -2.33 -0.11 0.00 0.00 0.00 0.00 36.38 33.76 1igo s VAL 146 CO -0.07 0.32 1.47 -0.60 0.00 0.00 0.00 175.10 176.22 1igo s ARG 147 N 1.34 4.06 0.49 2.72 3.52 0.10 -0.11 118.95 131.08 1igo s ARG 147 Ca 0.02 2.53 0.30 0.00 -0.13 0.00 0.00 55.73 58.46 1igo s ARG 147 Cb -0.15 -2.93 1.11 0.00 -1.56 0.00 0.00 34.95 31.42 1igo s ARG 147 CO -0.06 -0.55 1.88 1.96 -0.81 0.00 0.00 175.30 177.72 1igo h GLN 148 N 2.93 0.00 -5.45 5.12 4.20 -1.37 -3.43 115.11 117.11 1igo h GLN 148 Ca -0.51 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 57.72 1igo h GLN 148 Cb 1.24 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.75 1igo h GLN 148 CO 0.64 0.00 -0.81 0.95 -0.67 0.00 0.00 178.83 178.94 1igo s THR 149 N -3.53 1.21 0.50 -0.54 -4.23 -1.26 -5.12 115.64 102.68 1igo s THR 149 Ca 0.03 -0.86 -0.18 0.00 -1.18 0.00 0.00 61.69 59.50 1igo s THR 149 Cb 0.08 -1.05 -0.08 0.00 1.34 0.00 0.00 72.50 72.79 1igo s THR 149 CO 0.56 0.18 0.99 -0.54 -0.54 0.00 0.00 174.62 175.27 1igo s LYS 150 N -0.78 3.92 0.13 3.99 1.02 -1.26 -4.88 119.74 121.87 1igo s LYS 150 Ca 0.04 1.07 -0.22 0.00 0.02 0.00 0.00 55.97 56.88 1igo s LYS 150 Cb -0.07 -2.13 0.06 0.00 -0.52 0.00 0.00 37.83 35.17 1igo s LYS 150 CO 0.00 -0.30 0.56 -0.98 -0.92 0.00 0.00 175.35 173.71 1igo s ARG 151 N -3.78 1.19 -0.10 1.68 1.70 -0.75 -5.03 118.95 113.87 1igo s ARG 151 Ca 0.61 -0.44 0.13 0.00 -0.47 0.00 0.00 55.73 55.56 1igo s ARG 151 Cb -0.11 0.55 0.22 0.00 -0.57 0.00 0.00 34.95 35.04 1igo s ARG 151 CO 0.27 -0.49 1.11 0.25 -1.08 0.00 0.00 175.30 175.36 1igo n THR 152 N -0.17 1.33 -3.56 4.99 -2.24 -1.26 -4.27 114.28 109.10 1igo n THR 152 Ca -0.17 -1.67 -0.10 0.00 -2.27 0.00 0.00 64.05 59.84 1igo n THR 152 Cb 0.64 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.83 1igo n THR 152 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1igo s SER 153 N -2.36 -0.37 0.00 3.42 1.04 -1.26 -0.30 113.70 113.87 1igo s SER 153 Ca 0.24 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.98 1igo s SER 153 Cb 0.21 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.66 1igo s SER 153 CO 0.01 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1igo n GLY 154 N 0.50 0.21 3.40 7.32 0.00 -0.14 -4.98 105.19 111.49 1igo n GLY 154 Ca -0.10 -1.68 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 1igo n GLY 154 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1igo s THR 155 N -2.34 2.85 -0.30 2.61 2.01 -1.26 -0.61 115.64 118.60 1igo s THR 155 Ca 0.00 -0.78 -0.02 0.00 0.31 0.00 0.00 61.69 61.21 1igo s THR 155 Cb 0.00 -2.13 0.05 0.00 0.01 0.00 0.00 72.50 70.43 1igo s THR 155 CO 0.00 0.57 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.80 1igo s VAL 156 N -0.31 2.96 -1.40 3.82 1.01 0.72 -4.76 120.40 122.44 1igo s VAL 156 Ca 0.02 -1.39 -0.15 0.00 0.00 0.00 0.00 61.98 60.47 1igo s VAL 156 Cb -0.13 -2.70 0.06 0.00 0.00 0.00 0.00 36.38 33.61 1igo s VAL 156 CO 0.03 -0.10 2.05 -1.20 0.00 0.00 0.00 175.10 175.88 1igo n SER 157 N 4.62 4.27 -0.31 3.32 7.64 -1.26 -2.15 113.62 129.75 1igo n SER 157 Ca -0.13 -2.88 0.01 0.00 1.01 0.00 0.00 58.87 56.87 1igo n SER 157 Cb 0.43 -1.67 0.08 0.00 -1.01 0.00 0.00 64.21 62.04 1igo n SER 157 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1igo h VAL 158 N 4.41 0.10 -0.23 0.44 2.07 -1.88 0.12 116.25 121.29 1igo h VAL 158 Ca 0.52 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.01 1igo h VAL 158 Cb 0.71 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1igo h VAL 158 CO 1.74 0.00 0.03 0.28 0.02 0.00 0.00 177.57 179.64 1igo h SER 159 N -0.03 0.30 -0.15 0.57 0.02 -1.71 -1.37 113.55 111.17 1igo h SER 159 Ca 0.37 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 61.19 1igo h SER 159 Cb 0.61 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1igo h SER 159 CO -0.88 0.33 -0.20 -0.33 -1.14 0.00 0.00 176.83 174.61 1igo h GLU 160 N 0.33 0.58 -0.29 3.45 4.39 -1.26 -0.02 114.58 121.76 1igo h GLU 160 Ca 0.08 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.53 1igo h GLU 160 Cb 0.17 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1igo h GLU 160 CO 0.00 0.74 0.00 0.45 -1.16 0.00 0.00 179.01 179.04 1igo h HIS 161 N 0.52 0.55 -0.12 4.33 3.86 -0.92 -0.38 115.15 122.98 1igo h HIS 161 Ca 0.08 -0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1igo h HIS 161 Cb 0.63 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 1igo h HIS 161 CO 0.02 0.64 -0.20 0.74 0.86 0.00 0.00 177.93 180.00 1igo h PHE 162 N 0.29 -0.52 -0.98 2.45 0.04 -0.85 0.35 116.94 117.72 1igo h PHE 162 Ca 0.08 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.94 1igo h PHE 162 Cb 0.42 0.25 -0.06 0.00 2.20 0.00 0.00 35.95 38.76 1igo h PHE 162 CO 0.03 -0.28 0.63 0.87 -0.60 0.00 0.00 178.31 178.97 1igo h LYS 163 N -0.26 1.12 -0.46 1.51 1.57 -0.85 -0.09 116.57 119.11 1igo h LYS 163 Ca 0.10 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1igo h LYS 163 Cb 0.40 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1igo h LYS 163 CO -0.27 0.74 -0.02 -0.22 -0.57 0.00 0.00 179.45 179.11 1igo h LYS 164 N 1.16 0.83 -0.66 3.15 1.63 -0.03 -1.61 116.57 121.04 1igo h LYS 164 Ca 0.41 -0.28 -0.02 0.00 -0.85 0.00 0.00 60.65 59.92 1igo h LYS 164 Cb 0.14 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 1igo h LYS 164 CO -0.16 0.90 0.33 -1.49 -3.45 0.00 0.00 179.45 175.58 1igo h TRP 165 N 0.68 0.93 0.05 1.91 6.55 0.59 -2.77 115.95 123.89 1igo h TRP 165 Ca 0.13 -0.04 -0.00 0.00 0.95 0.00 0.00 58.89 59.93 1igo h TRP 165 Cb 0.54 -0.29 0.00 0.00 -0.86 0.00 0.00 29.16 28.55 1igo h TRP 165 CO 0.04 0.69 -0.02 0.93 -1.05 0.00 0.00 178.44 179.03 1igo h GLU 166 N 0.90 -0.06 0.00 0.49 5.08 -0.90 0.19 114.58 120.28 1igo h GLU 166 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1igo h GLU 166 Cb 0.10 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1igo h GLU 166 CO -0.03 0.13 0.09 -1.13 -1.00 0.00 0.00 179.01 177.07 1igo n SER 167 N -5.03 0.29 -1.56 1.42 3.41 -0.62 0.07 113.62 111.60 1igo n SER 167 Ca -0.08 0.58 0.05 0.00 -0.26 0.00 0.00 58.87 59.16 1igo n SER 167 Cb 0.13 -0.60 0.33 0.00 -0.26 0.00 0.00 64.21 63.82 1igo n SER 167 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1igo n LEU 168 N -1.88 5.15 -0.71 1.04 4.77 -0.77 -4.92 117.00 119.69 1igo n LEU 168 Ca -0.01 -3.05 -0.07 0.00 -0.03 0.00 0.00 56.01 52.85 1igo n LEU 168 Cb 0.11 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.53 1igo n LEU 168 CO 0.05 0.70 -0.08 0.61 -1.33 0.00 0.00 177.39 177.34 1igo n GLY 169 N 0.04 0.46 2.97 -0.72 0.00 0.11 -4.98 105.19 103.06 1igo n GLY 169 Ca 0.28 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1igo n GLY 169 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1igo s MET 170 N -3.59 2.75 0.55 1.61 -1.94 -0.01 -5.00 119.30 113.67 1igo s MET 170 Ca 0.00 -3.35 -0.21 0.00 -1.71 0.00 0.00 55.69 50.42 1igo s MET 170 Cb 0.00 -3.61 -0.05 0.00 2.01 0.00 0.00 34.83 33.19 1igo s MET 170 CO 0.00 -1.28 1.27 -1.25 -0.01 0.00 0.00 175.02 173.75 1igo s PRO 171 N -1.46 3.17 0.15 2.03 0.04 -1.26 -3.05 135.00 134.62 1igo s PRO 171 Ca 0.26 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.40 1igo s PRO 171 Cb -0.05 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1igo s PRO 171 CO -0.16 -1.10 -0.07 -1.64 0.04 0.00 0.00 177.00 174.07 1igo s MET 172 N -3.01 2.19 0.00 4.56 -1.94 -1.26 -4.97 119.30 114.86 1igo s MET 172 Ca 0.72 -1.12 0.00 0.00 -1.71 0.00 0.00 55.69 53.58 1igo s MET 172 Cb -0.35 -2.28 0.00 0.00 2.01 0.00 0.00 34.83 34.21 1igo s MET 172 CO 0.41 0.47 0.00 0.41 -0.01 0.00 0.00 175.02 176.30 1igo n GLY 173 N 0.26 3.12 3.77 -0.03 0.00 -1.26 -4.70 105.19 106.35 1igo n GLY 173 Ca -0.11 -1.94 -0.38 0.00 0.00 0.00 0.00 46.02 43.59 1igo n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1igo s LYS 174 N 3.04 4.17 0.10 1.61 1.02 0.17 -4.51 119.74 125.34 1igo s LYS 174 Ca 0.00 1.70 -0.31 0.00 0.02 0.00 0.00 55.97 57.38 1igo s LYS 174 Cb 0.00 -2.69 -0.07 0.00 -0.52 0.00 0.00 37.83 34.55 1igo s LYS 174 CO 0.00 -0.18 1.31 -1.64 -0.92 0.00 0.00 175.35 173.91 1igo s MET 175 N -2.27 4.37 -0.17 1.68 -1.94 0.17 -0.55 119.30 120.59 1igo s MET 175 Ca 0.56 1.95 0.04 0.00 -1.71 0.00 0.00 55.69 56.52 1igo s MET 175 Cb -0.27 -3.29 -0.13 0.00 2.01 0.00 0.00 34.83 33.15 1igo s MET 175 CO 0.34 -0.35 -0.12 0.98 -0.01 0.00 0.00 175.02 175.86 1igo n TYR 176 N 3.87 0.00 -3.56 -0.03 4.19 0.06 -1.41 117.16 120.28 1igo n TYR 176 Ca 0.10 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.24 1igo n TYR 176 Cb 0.44 -0.69 -0.03 0.00 0.49 0.00 0.00 39.34 39.55 1igo n TYR 176 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1igo s GLU 177 N -2.35 0.54 -0.17 2.98 2.12 -1.03 0.01 118.70 120.79 1igo s GLU 177 Ca -0.21 -0.09 -0.06 0.00 0.36 0.00 0.00 54.97 54.98 1igo s GLU 177 Cb 0.06 0.25 0.08 0.00 0.26 0.00 0.00 34.13 34.78 1igo s GLU 177 CO 0.45 -0.21 0.35 0.99 -0.54 0.00 0.00 175.26 176.29 1igo s THR 178 N -2.16 -0.54 -0.25 -1.70 2.01 -0.82 -2.83 115.64 109.34 1igo s THR 178 Ca 0.05 0.19 -0.23 0.00 0.31 0.00 0.00 61.69 62.00 1igo s THR 178 Cb -0.01 -0.59 0.06 0.00 0.01 0.00 0.00 72.50 71.98 1igo s THR 178 CO -0.05 0.07 0.67 0.00 -0.69 0.00 0.00 174.62 174.62 1igo s ALA 179 N 2.52 -1.65 0.18 7.40 0.00 0.23 -1.14 121.76 129.30 1igo s ALA 179 Ca 0.01 1.88 -0.32 0.00 0.00 0.00 0.00 51.96 53.53 1igo s ALA 179 Cb -0.12 -1.09 -0.11 0.00 0.00 0.00 0.00 23.12 21.80 1igo s ALA 179 CO -0.11 -0.32 1.71 -1.17 0.00 0.00 0.00 175.76 175.87 1igo s LEU 180 N 0.35 4.38 0.02 0.00 2.96 -1.20 -0.51 118.68 124.66 1igo s LEU 180 Ca -0.00 2.77 0.02 0.00 -0.22 0.00 0.00 54.13 56.70 1igo s LEU 180 Cb -0.05 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.04 1igo s LEU 180 CO 0.01 -0.94 -0.06 -0.89 -1.32 0.00 0.00 176.35 173.14 1igo s THR 181 N 1.54 0.47 -0.19 3.68 2.01 0.72 -3.13 115.64 120.75 1igo s THR 181 Ca 0.75 -0.59 -0.01 0.00 0.31 0.00 0.00 61.69 62.15 1igo s THR 181 Cb -0.47 -0.47 0.00 0.00 0.01 0.00 0.00 72.50 71.58 1igo s THR 181 CO 0.33 -0.09 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.34 1igo s VAL 182 N -0.66 2.66 0.04 3.82 1.01 -0.52 0.10 120.40 126.85 1igo s VAL 182 Ca -0.03 -0.75 0.08 0.00 0.00 0.00 0.00 61.98 61.28 1igo s VAL 182 Cb -0.05 -2.16 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 1igo s VAL 182 CO 0.00 0.49 -0.22 -0.70 0.00 0.00 0.00 175.10 174.67 1igo s GLU 183 N 1.23 1.50 0.05 2.72 2.12 0.30 -1.27 118.70 125.35 1igo s GLU 183 Ca 0.03 -0.98 0.02 0.00 0.36 0.00 0.00 54.97 54.40 1igo s GLU 183 Cb -0.14 -1.63 -0.02 0.00 0.26 0.00 0.00 34.13 32.60 1igo s GLU 183 CO -0.06 0.42 -0.08 0.20 -0.54 0.00 0.00 175.26 175.19 1igo s GLY 184 N -1.19 0.54 -0.21 -1.50 0.00 0.74 0.12 107.32 105.82 1igo s GLY 184 Ca 0.09 -0.80 -0.03 0.00 0.00 0.00 0.00 44.72 43.97 1igo s GLY 184 CO 0.02 -0.85 0.06 -0.47 0.00 0.00 0.00 173.10 171.86 1igo s TYR 185 N -1.45 0.79 -1.05 1.90 5.04 -0.61 -0.68 117.35 121.30 1igo s TYR 185 Ca -0.09 -0.79 0.00 0.00 -2.44 0.00 0.00 57.07 53.75 1igo s TYR 185 Cb -0.09 -0.98 0.00 0.00 0.35 0.00 0.00 41.96 41.23 1igo s TYR 185 CO 0.00 -0.63 0.00 1.04 -1.34 0.00 0.00 175.55 174.63 1igo n GLN 186 N 5.11 -1.90 -3.35 4.97 6.02 0.92 -4.32 117.38 124.84 1igo n GLN 186 Ca -0.08 0.59 -0.19 0.00 -0.01 0.00 0.00 57.00 57.31 1igo n GLN 186 Cb 0.47 -5.03 -0.01 0.00 1.02 0.00 0.00 30.24 26.68 1igo n GLN 186 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1igo s SER 187 N -2.00 5.27 -0.37 1.08 1.04 -1.26 -4.84 113.70 112.63 1igo s SER 187 Ca 0.00 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.80 1igo s SER 187 Cb 0.00 -0.55 0.12 0.00 0.10 0.00 0.00 66.02 65.68 1igo s SER 187 CO 0.00 -0.73 0.16 0.20 0.98 0.00 0.00 173.24 173.85 1igo s ASN 188 N -4.23 3.86 0.00 7.02 0.01 0.15 -4.25 114.94 117.50 1igo s ASN 188 Ca 0.51 -2.09 0.00 0.00 -0.71 0.00 0.00 52.86 50.57 1igo s ASN 188 Cb -0.06 -0.95 0.00 0.00 0.41 0.00 0.00 41.25 40.65 1igo s ASN 188 CO 0.30 -0.35 0.00 0.61 -1.51 0.00 0.00 177.10 176.15 1igo n GLY 189 N 4.25 4.74 3.68 0.66 0.00 -0.74 -4.15 105.19 113.63 1igo n GLY 189 Ca 0.03 -1.13 -0.02 0.00 0.00 0.00 0.00 46.02 44.90 1igo n GLY 189 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1igo s SER 190 N 1.26 -0.13 -0.03 1.61 1.04 -0.98 -1.31 113.70 115.16 1igo s SER 190 Ca 0.00 -0.26 -0.29 0.00 0.48 0.00 0.00 55.95 55.88 1igo s SER 190 Cb 0.00 0.34 0.08 0.00 0.10 0.00 0.00 66.02 66.54 1igo s SER 190 CO 0.00 -0.62 0.72 0.00 0.98 0.00 0.00 173.24 174.32 1igo s ALA 191 N -2.89 -1.77 -0.25 5.32 0.00 0.49 -0.38 121.76 122.28 1igo s ALA 191 Ca 0.13 1.20 -0.02 0.00 0.00 0.00 0.00 51.96 53.26 1igo s ALA 191 Cb 0.01 0.08 0.08 0.00 0.00 0.00 0.00 23.12 23.29 1igo s ALA 191 CO -0.01 -0.45 0.07 1.21 0.00 0.00 0.00 175.76 176.58 1igo s ASN 192 N -1.52 3.41 -0.59 0.00 3.04 0.20 -0.69 114.94 118.79 1igo s ASN 192 Ca -0.07 -1.18 -0.20 0.00 0.04 0.00 0.00 52.86 51.46 1igo s ASN 192 Cb -0.00 -0.66 0.09 0.00 -1.54 0.00 0.00 41.25 39.13 1igo s ASN 192 CO 0.04 -0.36 0.74 -0.69 -3.04 0.00 0.00 177.10 173.79 1igo s VAL 193 N 1.80 4.73 -0.22 -5.21 1.01 0.51 -0.62 120.40 122.40 1igo s VAL 193 Ca 0.04 -0.77 0.18 0.00 0.00 0.00 0.00 61.98 61.43 1igo s VAL 193 Cb -0.17 -4.49 0.08 0.00 0.00 0.00 0.00 36.38 31.79 1igo s VAL 193 CO -0.18 -1.13 1.31 0.71 0.00 0.00 0.00 175.10 175.81 1igo h THR 194 N 5.93 0.49 -3.57 3.92 1.35 -1.54 -2.31 112.91 117.19 1igo h THR 194 Ca -0.29 -1.75 -0.30 0.00 -0.55 0.00 0.00 66.41 63.52 1igo h THR 194 Cb 1.09 2.14 -0.33 0.00 -1.73 0.00 0.00 68.15 69.31 1igo h THR 194 CO 1.09 0.28 -0.73 0.00 -0.25 0.00 0.00 175.52 175.91 1igo s ALA 195 N -3.06 0.14 -0.33 6.62 0.00 -0.92 -4.79 121.76 119.42 1igo s ALA 195 Ca 0.03 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.22 1igo s ALA 195 Cb 0.07 -0.22 0.19 0.00 0.00 0.00 0.00 23.12 23.17 1igo s ALA 195 CO 0.75 -0.07 0.68 1.21 0.00 0.00 0.00 175.76 178.33 1igo s ASN 196 N 0.82 -1.39 -0.16 0.00 2.47 -1.24 -0.37 114.94 115.07 1igo s ASN 196 Ca -0.07 -0.15 0.01 0.00 0.42 0.00 0.00 52.86 53.06 1igo s ASN 196 Cb -0.10 1.83 0.01 0.00 -1.45 0.00 0.00 41.25 41.53 1igo s ASN 196 CO -0.02 -0.22 -0.17 -0.69 -3.72 0.00 0.00 177.10 172.28 1igo s VAL 197 N 2.48 2.42 -0.21 -5.21 1.01 -0.26 -3.12 120.40 117.51 1igo s VAL 197 Ca 0.14 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1igo s VAL 197 Cb -0.06 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1igo s VAL 197 CO -0.19 0.52 0.06 -0.22 0.00 0.00 0.00 175.10 175.27 1igo s LEU 198 N 0.96 3.57 -0.01 3.92 2.96 -1.26 -1.63 118.68 127.19 1igo s LEU 198 Ca -0.03 -0.08 0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1igo s LEU 198 Cb -0.15 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1igo s LEU 198 CO -0.03 0.07 -0.15 0.42 -1.32 0.00 0.00 176.35 175.34 1igo s THR 199 N 1.00 3.03 -0.17 3.68 -4.23 0.06 -1.36 115.64 117.65 1igo s THR 199 Ca 0.04 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1igo s THR 199 Cb -0.14 -2.23 0.03 0.00 1.34 0.00 0.00 72.50 71.50 1igo s THR 199 CO 0.03 0.48 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.84 1igo s ILE 200 N -0.83 1.52 -1.53 2.99 1.01 -0.13 -2.00 121.20 122.23 1igo s ILE 200 Ca 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.02 1igo s ILE 200 Cb -0.11 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.83 1igo s ILE 200 CO 0.03 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.89 1igo n GLY 201 N 4.76 0.40 2.44 6.18 0.00 -0.02 -1.27 105.19 117.68 1igo n GLY 201 Ca -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1igo n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1igo n GLY 202 N -1.00 2.18 3.63 -0.02 0.00 -1.26 -4.96 105.19 103.76 1igo n GLY 202 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 1igo n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1igo s LYS 203 N -0.19 4.09 0.68 1.61 -0.14 -0.40 -4.94 119.74 120.45 1igo s LYS 203 Ca 0.00 0.27 -0.16 0.00 -1.36 0.00 0.00 55.97 54.72 1igo s LYS 203 Cb 0.00 -3.62 0.01 0.00 -1.68 0.00 0.00 37.83 32.54 1igo s LYS 203 CO 0.00 -0.26 1.18 -2.14 -0.76 0.00 0.00 175.35 173.37 1igo s PRO 204 N 2.02 2.51 0.00 -1.68 0.02 -1.26 -0.96 135.00 135.65 1igo s PRO 204 Ca 0.20 1.68 0.17 0.00 0.02 0.00 0.00 61.00 63.07 1igo s PRO 204 Cb -0.15 -1.89 1.00 0.00 0.02 0.00 0.00 34.50 33.48 1igo s PRO 204 CO 0.09 -1.53 1.41 1.28 -0.33 0.00 0.00 177.00 177.92