#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye s THR 2 N 0.00 -0.13 0.02 12.58 2.01 -1.26 -1.12 115.64 127.74 3hye s THR 2 Ca 0.00 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.37 3hye s THR 2 Cb 0.00 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 3hye s THR 2 CO 0.00 0.11 -0.09 0.42 -0.69 0.00 0.00 174.62 174.37 3hye s THR 3 N 2.18 0.69 0.13 -0.82 -4.23 -0.67 -1.52 115.64 111.41 3hye s THR 3 Ca 0.04 -0.74 -0.10 0.00 -1.18 0.00 0.00 61.69 59.71 3hye s THR 3 Cb -0.13 -0.66 -0.00 0.00 1.34 0.00 0.00 72.50 73.06 3hye s THR 3 CO -0.04 -0.06 0.26 -1.48 -0.54 0.00 0.00 174.62 172.75 3hye s LEU 4 N -0.90 1.10 -0.25 4.79 -0.00 0.14 -0.87 118.68 122.69 3hye s LEU 4 Ca -0.02 -0.71 -0.18 0.00 -0.00 0.00 0.00 54.13 53.23 3hye s LEU 4 Cb -0.06 1.21 0.07 0.00 -0.00 0.00 0.00 46.19 47.40 3hye s LEU 4 CO 0.00 -0.82 0.64 0.00 -0.00 0.00 0.00 176.35 176.18 3hye s ALA 5 N -3.90 -1.66 0.01 1.48 0.00 -0.62 -1.95 121.76 115.12 3hye s ALA 5 Ca 0.10 2.07 -0.07 0.00 0.00 0.00 0.00 51.96 54.06 3hye s ALA 5 Cb 0.04 -1.22 -0.00 0.00 0.00 0.00 0.00 23.12 21.94 3hye s ALA 5 CO -0.06 -0.34 0.12 -0.59 0.00 0.00 0.00 175.76 174.89 3hye s PHE 6 N 1.07 0.08 -0.00 0.00 -0.12 -0.52 -1.74 117.98 116.75 3hye s PHE 6 Ca -0.06 -0.22 -0.14 0.00 -0.05 0.00 0.00 56.93 56.47 3hye s PHE 6 Cb -0.05 -0.07 -0.06 0.00 -0.63 0.00 0.00 43.02 42.21 3hye s PHE 6 CO -0.10 -0.29 0.38 1.03 -0.05 0.00 0.00 175.22 176.19 3hye s ARG 7 N -1.58 3.86 0.35 1.99 0.52 0.79 -1.24 118.95 123.63 3hye s ARG 7 Ca -0.13 0.34 -0.16 0.00 -0.52 0.00 0.00 55.73 55.26 3hye s ARG 7 Cb -0.07 -3.19 0.04 0.00 0.52 0.00 0.00 34.95 32.25 3hye s ARG 7 CO 0.00 0.69 0.74 -0.59 0.02 0.00 0.00 175.30 176.16 3hye s PHE 8 N -1.11 0.09 0.34 -0.53 -0.00 0.09 -4.89 117.98 111.97 3hye s PHE 8 Ca 0.24 -0.67 0.13 0.00 -0.00 0.00 0.00 56.93 56.63 3hye s PHE 8 Cb -0.16 0.72 1.05 0.00 -0.00 0.00 0.00 43.02 44.63 3hye s PHE 8 CO 0.13 -1.43 1.63 0.37 -0.00 0.00 0.00 175.22 175.93 3hye h GLN 9 N 2.02 0.19 -0.39 1.99 -0.00 -1.17 0.53 115.11 118.27 3hye h GLN 9 Ca -0.28 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 3hye h GLN 9 Cb 1.25 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 28.69 3hye h GLN 9 CO 0.35 0.12 0.00 0.41 0.00 0.00 0.00 178.83 179.71 3hye n GLY 10 N -1.32 0.84 0.00 2.39 0.00 -1.26 -5.03 105.19 100.81 3hye n GLY 10 Ca 0.31 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3hye n GLY 10 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hye n GLY 11 N 1.13 0.18 2.92 -0.02 0.00 0.18 -4.70 105.19 104.87 3hye n GLY 11 Ca 0.13 -1.34 -0.16 0.00 0.00 0.00 0.00 46.02 44.65 3hye n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hye s ILE 12 N 0.00 0.36 -0.13 -0.61 1.01 -0.81 -0.73 121.20 120.29 3hye s ILE 12 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.48 3hye s ILE 12 Cb 0.00 -0.34 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 3hye s ILE 12 CO 0.00 0.13 -0.01 -0.63 0.00 0.00 0.00 174.94 174.43 3hye s ILE 13 N 0.22 4.18 -0.10 2.92 -1.09 -0.37 -0.33 121.20 126.63 3hye s ILE 13 Ca -0.02 -0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.13 3hye s ILE 13 Cb -0.06 -2.80 0.02 0.00 -1.58 0.00 0.00 42.46 38.04 3hye s ILE 13 CO -0.00 0.54 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.45 3hye s VAL 14 N -0.20 1.12 -0.01 2.92 1.01 -0.74 -1.43 120.40 123.07 3hye s VAL 14 Ca 0.05 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.65 3hye s VAL 14 Cb -0.13 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.17 3hye s VAL 14 CO 0.02 0.37 -0.06 0.00 0.00 0.00 0.00 175.10 175.43 3hye s ALA 15 N 1.25 0.53 0.06 5.51 0.00 -0.82 -0.87 121.76 127.41 3hye s ALA 15 Ca -0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 51.96 51.62 3hye s ALA 15 Cb -0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 3hye s ALA 15 CO -0.03 0.12 0.07 0.14 0.00 0.00 0.00 175.76 176.06 3hye s VAL 16 N -0.10 0.17 0.35 0.00 -7.23 -0.99 -0.68 120.40 111.91 3hye s VAL 16 Ca 0.02 -1.37 -0.01 0.00 -1.81 0.00 0.00 61.98 58.80 3hye s VAL 16 Cb -0.03 -1.23 0.07 0.00 0.56 0.00 0.00 36.38 35.75 3hye s VAL 16 CO -0.00 -0.76 0.48 -0.90 -0.31 0.00 0.00 175.10 173.61 3hye n ASP 17 N 0.31 0.56 -1.23 4.85 5.68 -0.57 -1.80 116.55 124.35 3hye n ASP 17 Ca -0.16 -1.50 0.04 0.00 -0.50 0.00 0.00 54.79 52.67 3hye n ASP 17 Cb 0.60 -0.32 0.04 0.00 -1.14 0.00 0.00 41.12 40.31 3hye n ASP 17 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3hye n SER 18 N -3.00 0.99 -4.88 -1.12 3.41 -0.85 -4.57 113.62 103.60 3hye n SER 18 Ca 0.08 -2.26 -0.35 0.00 -0.26 0.00 0.00 58.87 56.07 3hye n SER 18 Cb 0.27 -0.32 -0.05 0.00 -0.26 0.00 0.00 64.21 63.85 3hye n SER 18 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3hye s ARG 19 N -0.47 3.61 -0.09 4.33 3.52 -1.11 -1.59 118.95 127.14 3hye s ARG 19 Ca 0.30 -0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.90 3hye s ARG 19 Cb 0.34 -3.10 0.02 0.00 -1.56 0.00 0.00 34.95 30.64 3hye s ARG 19 CO -0.13 0.66 -0.12 0.00 -0.81 0.00 0.00 175.30 174.90 3hye s ALA 20 N -1.25 1.42 0.03 6.12 0.00 -0.04 -4.71 121.76 123.34 3hye s ALA 20 Ca 0.26 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.69 3hye s ALA 20 Cb -0.13 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 3hye s ALA 20 CO 0.14 -0.10 -0.10 0.95 0.00 0.00 0.00 175.76 176.65 3hye s THR 21 N 1.07 0.76 -0.37 0.00 -4.23 -1.26 -0.11 115.64 111.50 3hye s THR 21 Ca -0.06 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 3hye s THR 21 Cb -0.15 -0.72 0.11 0.00 1.34 0.00 0.00 72.50 73.09 3hye s THR 21 CO -0.02 -0.08 0.12 0.00 -0.54 0.00 0.00 174.62 174.11 3hye s ALA 22 N -0.81 2.34 0.00 3.99 0.00 -0.54 -4.92 121.76 121.82 3hye s ALA 22 Ca -0.02 -2.33 0.00 0.00 0.00 0.00 0.00 51.96 49.61 3hye s ALA 22 Cb -0.07 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.19 3hye s ALA 22 CO 0.01 -1.79 0.00 0.41 0.00 0.00 0.00 175.76 174.39 3hye n GLY 23 N 4.20 1.25 0.73 0.00 0.00 -1.26 -2.52 105.19 107.59 3hye n GLY 23 Ca 0.03 -0.57 0.12 0.00 0.00 0.00 0.00 46.02 45.59 3hye n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hye n ASN 24 N 7.84 2.49 -4.70 1.61 3.02 -1.26 -4.92 115.26 119.35 3hye n ASN 24 Ca 0.00 -1.75 -0.42 0.00 -0.03 0.00 0.00 54.58 52.38 3hye n ASN 24 Cb 0.00 0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 3hye n ASN 24 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3hye s TRP 25 N -2.23 3.59 -0.67 3.10 -0.11 -1.05 -4.99 118.94 116.58 3hye s TRP 25 Ca 0.24 1.63 -0.20 0.00 1.22 0.00 0.00 56.10 58.99 3hye s TRP 25 Cb 0.19 -3.14 0.10 0.00 -1.50 0.00 0.00 33.47 29.12 3hye s TRP 25 CO 0.43 -0.11 0.84 0.08 -4.62 0.00 0.00 176.95 173.57 3hye s VAL 26 N 1.48 4.72 0.24 5.86 1.01 -1.26 -1.46 120.40 130.99 3hye s VAL 26 Ca 0.50 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.49 3hye s VAL 26 Cb -0.20 -4.58 0.02 0.00 0.00 0.00 0.00 36.38 31.63 3hye s VAL 26 CO 0.23 -1.27 1.64 0.00 0.00 0.00 0.00 175.10 175.71 3hye h ALA 27 N 9.17 0.95 -2.30 5.51 0.00 -0.87 -3.47 119.26 128.26 3hye h ALA 27 Ca -0.21 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 3hye h ALA 27 Cb 1.07 -0.11 -0.17 0.00 0.00 0.00 0.00 17.79 18.58 3hye h ALA 27 CO 1.11 0.61 0.25 0.45 0.00 0.00 0.00 179.25 181.67 3hye s SER 28 N -6.83 -0.58 0.00 0.00 0.15 -0.95 -4.98 113.70 100.51 3hye s SER 28 Ca -0.07 0.41 0.01 0.00 0.70 0.00 0.00 55.95 57.00 3hye s SER 28 Cb 0.13 0.52 0.02 0.00 -1.71 0.00 0.00 66.02 64.98 3hye s SER 28 CO 0.81 -0.70 0.68 0.00 1.20 0.00 0.00 173.24 175.23 3hye n GLN 29 N 0.39 0.26 -2.51 5.44 1.13 -1.26 -0.86 117.38 119.98 3hye n GLN 29 Ca -0.17 -0.86 -0.14 0.00 -1.94 0.00 0.00 57.00 53.89 3hye n GLN 29 Cb 0.60 -1.03 0.03 0.00 0.11 0.00 0.00 30.24 29.95 3hye n GLN 29 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3hye n THR 30 N -0.05 1.77 -3.48 5.09 -2.24 -1.05 -3.95 114.28 110.36 3hye n THR 30 Ca 0.01 -3.73 -0.34 0.00 -2.27 0.00 0.00 64.05 57.72 3hye n THR 30 Cb 0.10 -0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.23 3hye n THR 30 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hye s VAL 31 N -4.23 4.99 -0.16 2.28 1.01 -0.62 -5.06 120.40 118.61 3hye s VAL 31 Ca 0.38 0.53 -0.22 0.00 0.00 0.00 0.00 61.98 62.68 3hye s VAL 31 Cb 0.39 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3hye s VAL 31 CO -0.03 0.17 0.66 -0.54 0.00 0.00 0.00 175.10 175.36 3hye s LYS 32 N -2.19 4.27 0.00 2.72 3.01 -1.26 -4.51 119.74 121.79 3hye s LYS 32 Ca 0.38 0.70 0.07 0.00 -1.01 0.00 0.00 55.97 56.11 3hye s LYS 32 Cb -0.13 -3.54 0.19 0.00 -1.01 0.00 0.00 37.83 33.33 3hye s LYS 32 CO 0.20 -0.17 1.16 1.63 0.51 0.00 0.00 175.35 178.68 3hye n LYS 33 N 4.74 2.90 -4.82 1.68 5.02 -1.26 -4.93 118.16 121.48 3hye n LYS 33 Ca -0.01 -1.84 -0.29 0.00 -2.02 0.00 0.00 58.31 54.15 3hye n LYS 33 Cb 0.50 -1.17 -0.17 0.00 -0.02 0.00 0.00 35.03 34.17 3hye n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hye s VAL 34 N -1.00 1.68 -0.16 -0.18 1.01 -1.26 -0.03 120.40 120.47 3hye s VAL 34 Ca 0.15 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 3hye s VAL 34 Cb 0.08 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3hye s VAL 34 CO 0.10 0.48 0.03 -0.63 0.00 0.00 0.00 175.10 175.08 3hye s ILE 35 N 0.62 4.54 -1.08 2.22 -1.09 0.27 -4.94 121.20 121.74 3hye s ILE 35 Ca -0.14 -0.13 -0.16 0.00 -2.23 0.00 0.00 60.65 57.99 3hye s ILE 35 Cb -0.16 -3.02 0.15 0.00 -1.58 0.00 0.00 42.46 37.85 3hye s ILE 35 CO 0.04 0.49 1.29 -1.61 -1.23 0.00 0.00 174.94 173.92 3hye s GLU 36 N 0.20 3.86 0.22 2.79 2.02 -1.26 -0.73 118.70 125.81 3hye s GLU 36 Ca 0.02 -2.21 -0.12 0.00 0.02 0.00 0.00 54.97 52.69 3hye s GLU 36 Cb -0.13 -4.99 0.29 0.00 0.10 0.00 0.00 34.13 29.40 3hye s GLU 36 CO 0.01 -1.77 1.62 0.82 0.02 0.00 0.00 175.26 175.96 3hye h ILE 37 N 5.20 0.32 -2.46 -1.63 1.08 -1.60 -3.45 117.51 114.97 3hye h ILE 37 Ca 0.24 -0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.87 3hye h ILE 37 Cb 0.94 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 34.95 3hye h ILE 37 CO 1.18 0.00 0.55 0.54 -0.69 0.00 0.00 178.15 179.73 3hye s ASN 38 N -5.23 -0.05 0.66 1.72 2.20 -1.12 -4.52 114.94 108.60 3hye s ASN 38 Ca -0.14 -0.60 0.21 0.00 -0.94 0.00 0.00 52.86 51.39 3hye s ASN 38 Cb 0.21 0.50 1.12 0.00 -2.00 0.00 0.00 41.25 41.08 3hye s ASN 38 CO 0.74 -0.97 1.63 -0.65 -2.94 0.00 0.00 177.10 174.91 3hye h PRO 39 N 2.00 0.00 0.00 3.55 0.11 -1.99 -2.00 132.00 133.67 3hye h PRO 39 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3hye h PRO 39 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hye h PRO 39 CO 0.33 0.00 -0.47 1.19 -0.21 0.00 0.00 178.00 178.84 3hye n PHE 40 N -2.82 0.00 -5.20 0.65 3.72 -1.26 -2.42 117.46 110.14 3hye n PHE 40 Ca -0.00 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.09 3hye n PHE 40 Cb 0.60 -0.03 -0.17 0.00 -0.94 0.00 0.00 39.48 38.95 3hye n PHE 40 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hye s LEU 41 N -2.50 2.05 0.06 4.37 1.43 -0.75 -4.24 118.68 119.10 3hye s LEU 41 Ca 0.01 -0.51 0.09 0.00 -1.03 0.00 0.00 54.13 52.70 3hye s LEU 41 Cb 0.04 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 3hye s LEU 41 CO 0.23 0.21 -0.25 -0.76 0.23 0.00 0.00 176.35 176.00 3hye s LEU 42 N 0.03 2.29 -0.02 1.79 1.43 0.00 -1.55 118.68 122.65 3hye s LEU 42 Ca -0.09 -0.59 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 3hye s LEU 42 Cb -0.15 -1.33 -0.00 0.00 0.03 0.00 0.00 46.19 44.74 3hye s LEU 42 CO 0.05 0.24 -0.11 -0.83 0.23 0.00 0.00 176.35 175.94 3hye s GLY 43 N -1.43 0.57 0.16 -3.19 0.00 0.09 -0.29 107.32 103.23 3hye s GLY 43 Ca 0.13 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.44 3hye s GLY 43 CO 0.03 -0.25 0.30 -0.51 0.00 0.00 0.00 173.10 172.67 3hye s THR 44 N -0.03 5.31 -0.12 0.90 -4.23 -0.70 0.97 115.64 117.75 3hye s THR 44 Ca 0.00 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.83 3hye s THR 44 Cb -0.07 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 70.03 3hye s THR 44 CO 0.00 -0.12 -0.17 -0.04 -0.54 0.00 0.00 174.62 173.75 3hye s MET 45 N -3.32 2.38 -0.01 3.99 -1.94 0.96 -3.88 119.30 117.48 3hye s MET 45 Ca 0.35 -0.62 -0.02 0.00 -1.71 0.00 0.00 55.69 53.69 3hye s MET 45 Cb -0.11 -2.01 -0.00 0.00 2.01 0.00 0.00 34.83 34.72 3hye s MET 45 CO 0.29 -0.06 0.04 0.00 -0.01 0.00 0.00 175.02 175.27 3hye s ALA 46 N 0.98 -0.08 0.00 3.03 0.00 -0.70 -4.89 121.76 120.11 3hye s ALA 46 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3hye s ALA 46 Cb -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3hye s ALA 46 CO -0.02 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.08 3hye n GLY 47 N 2.55 1.04 3.61 0.00 0.00 -1.26 -0.63 105.19 110.50 3hye n GLY 47 Ca -0.16 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 3hye n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hye s GLY 48 N 0.00 1.59 0.14 -0.02 0.00 0.14 -4.95 107.32 104.22 3hye s GLY 48 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 44.72 44.19 3hye s GLY 48 CO 0.00 2.04 1.73 0.00 0.00 0.00 0.00 173.10 176.87 3hye h ALA 49 N 8.34 0.31 -0.19 3.20 0.00 -1.90 -1.23 119.26 127.78 3hye h ALA 49 Ca -0.23 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3hye h ALA 49 Cb 1.08 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3hye h ALA 49 CO 0.98 -0.35 0.08 0.00 0.00 0.00 0.00 179.25 179.96 3hye h ALA 50 N 1.21 0.25 -0.18 0.00 0.00 -1.95 -0.42 119.26 118.17 3hye h ALA 50 Ca 0.14 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hye h ALA 50 Cb 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hye h ALA 50 CO -0.17 -0.17 0.01 -0.44 0.00 0.00 0.00 179.25 178.48 3hye h ASP 51 N 0.16 -0.05 0.30 0.00 3.45 -1.81 0.72 116.42 119.19 3hye h ASP 51 Ca 0.06 0.04 -0.01 0.00 0.43 0.00 0.00 57.03 57.55 3hye h ASP 51 Cb 0.16 0.06 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3hye h ASP 51 CO -0.01 -0.00 -0.14 0.00 -1.57 0.00 0.00 179.24 177.52 3hye h GLN 53 N -0.63 0.34 0.36 0.00 4.15 -1.01 -0.06 115.11 118.25 3hye h GLN 53 Ca -0.04 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 3hye h GLN 53 Cb 0.45 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.07 3hye h GLN 53 CO 0.07 0.22 -0.17 0.35 -1.93 0.00 0.00 178.83 177.37 3hye h PHE 54 N 0.35 -0.44 0.00 3.99 3.57 -0.85 -2.59 116.94 120.96 3hye h PHE 54 Ca 0.26 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 3hye h PHE 54 Cb 0.31 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3hye h PHE 54 CO -0.18 -0.12 -0.35 -1.49 -2.23 0.00 0.00 178.31 173.94 3hye h TRP 55 N -0.80 0.00 0.01 0.41 4.06 -1.31 -1.61 115.95 116.71 3hye h TRP 55 Ca -0.05 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.70 3hye h TRP 55 Cb 0.52 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.66 3hye h TRP 55 CO 0.02 0.35 -0.94 0.93 -3.56 0.00 0.00 178.44 175.24 3hye h GLU 56 N 0.00 0.05 -0.12 0.49 5.08 -1.07 0.22 114.58 119.23 3hye h GLU 56 Ca -0.00 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.23 3hye h GLU 56 Cb 0.87 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 3hye h GLU 56 CO 0.05 0.94 -0.17 1.15 -1.00 0.00 0.00 179.01 179.98 3hye h THR 57 N 0.02 1.37 -0.94 1.13 2.02 -1.32 -2.58 112.91 112.62 3hye h THR 57 Ca -0.02 -1.40 0.11 0.00 0.77 0.00 0.00 66.41 65.87 3hye h THR 57 Cb 1.63 2.01 -0.08 0.00 -1.74 0.00 0.00 68.15 69.97 3hye h THR 57 CO 0.13 0.41 0.57 -0.25 0.37 0.00 0.00 175.52 176.74 3hye h TRP 58 N -0.09 1.03 -0.58 3.16 7.01 -1.27 -0.27 115.95 124.95 3hye h TRP 58 Ca 0.01 0.03 0.09 0.00 2.11 0.00 0.00 58.89 61.13 3hye h TRP 58 Cb 0.73 -0.32 -0.07 0.00 -2.10 0.00 0.00 29.16 27.40 3hye h TRP 58 CO 0.10 0.41 0.21 1.25 -2.79 0.00 0.00 178.44 177.62 3hye h LEU 59 N 0.92 0.21 -0.63 0.65 5.85 -0.66 -0.40 115.31 121.25 3hye h LEU 59 Ca 0.46 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.32 3hye h LEU 59 Cb 0.44 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 3hye h LEU 59 CO -0.26 0.13 0.31 1.23 -0.34 0.00 0.00 178.44 179.51 3hye h GLY 60 N 0.39 0.91 1.25 3.75 0.00 -0.67 0.12 103.07 108.82 3hye h GLY 60 Ca 0.29 -0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.44 3hye h GLY 60 CO -0.29 0.08 0.45 1.76 0.00 0.00 0.00 176.54 178.55 3hye h SER 61 N 0.56 0.73 0.06 0.19 0.02 -0.63 -0.12 113.55 114.37 3hye h SER 61 Ca 0.30 -0.01 -0.21 0.00 -0.84 0.00 0.00 61.79 61.02 3hye h SER 61 Cb 0.26 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3hye h SER 61 CO -0.22 0.51 -0.78 1.56 -1.14 0.00 0.00 176.83 176.76 3hye h GLN 62 N 0.85 0.60 -0.36 3.45 1.08 0.06 -2.42 115.11 118.39 3hye h GLN 62 Ca 0.27 -0.51 -0.03 0.00 -1.45 0.00 0.00 58.65 56.93 3hye h GLN 62 Cb 0.02 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.54 3hye h GLN 62 CO -0.07 1.13 0.11 0.00 -0.95 0.00 0.00 178.83 179.04 3hye h ARG 64 N 0.42 0.92 -0.55 0.00 9.65 -1.03 -1.70 114.38 122.10 3hye h ARG 64 Ca 0.11 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 3hye h ARG 64 Cb 0.26 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3hye h ARG 64 CO -0.00 0.61 0.28 -0.07 2.80 0.00 0.00 179.97 183.59 3hye h LEU 65 N 0.94 0.68 -0.18 3.80 4.07 -1.27 -1.98 115.31 121.37 3hye h LEU 65 Ca 0.26 -0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 3hye h LEU 65 Cb -0.10 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.46 3hye h LEU 65 CO -0.06 0.56 0.04 -0.74 -1.08 0.00 0.00 178.44 177.17 3hye h HIS 66 N 0.77 0.30 -0.05 1.13 2.76 -0.49 -1.56 115.15 118.00 3hye h HIS 66 Ca 0.19 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 3hye h HIS 66 Cb 0.05 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 3hye h HIS 66 CO 0.01 0.41 -0.25 0.93 -1.30 0.00 0.00 177.93 177.73 3hye h GLU 67 N 0.10 0.08 -0.17 5.26 5.08 -1.08 0.47 114.58 124.33 3hye h GLU 67 Ca 0.06 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 3hye h GLU 67 Cb 0.26 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.51 3hye h GLU 67 CO 0.00 0.33 -0.73 -0.07 -1.00 0.00 0.00 179.01 177.55 3hye h LEU 68 N 0.08 0.88 -0.07 1.33 3.38 -1.22 0.16 115.31 119.85 3hye h LEU 68 Ca 0.01 -0.55 -0.08 0.00 0.09 0.00 0.00 57.88 57.35 3hye h LEU 68 Cb 0.49 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hye h LEU 68 CO 0.03 1.34 -0.26 -0.09 0.09 0.00 0.00 178.44 179.56 3hye h ARG 69 N 0.52 0.30 -0.35 1.13 9.65 -0.59 -3.33 114.38 121.73 3hye h ARG 69 Ca -0.04 -0.23 0.00 0.00 -1.10 0.00 0.00 59.98 58.61 3hye h ARG 69 Cb 1.34 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.97 3hye h ARG 69 CO 0.15 0.86 0.00 0.39 2.80 0.00 0.00 179.97 184.17 3hye n GLU 70 N -4.48 2.40 -4.34 0.20 -0.58 0.16 -4.96 120.64 109.04 3hye n GLU 70 Ca -0.08 -2.12 -0.33 0.00 -0.42 0.00 0.00 57.16 54.21 3hye n GLU 70 Cb 0.46 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.75 3hye n GLU 70 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3hye n LYS 71 N 1.33 -1.10 -3.64 3.49 5.02 0.04 -4.89 118.16 118.42 3hye n LYS 71 Ca 0.19 0.13 -0.09 0.00 -2.02 0.00 0.00 58.31 56.51 3hye n LYS 71 Cb 0.57 -3.93 -0.07 0.00 -0.02 0.00 0.00 35.03 31.58 3hye n LYS 71 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3hye s GLU 72 N -7.29 0.53 0.19 1.97 2.12 -1.22 -5.07 118.70 109.93 3hye s GLU 72 Ca 0.21 0.65 -0.32 0.00 0.36 0.00 0.00 54.97 55.86 3hye s GLU 72 Cb -0.12 0.25 -0.15 0.00 0.26 0.00 0.00 34.13 34.38 3hye s GLU 72 CO 1.00 -0.07 1.32 -2.13 -0.54 0.00 0.00 175.26 174.84 3hye n ARG 73 N 2.37 1.63 -2.41 4.30 0.63 -1.26 -4.29 116.66 117.63 3hye n ARG 73 Ca -0.13 0.58 -0.37 0.00 -0.92 0.00 0.00 57.85 57.01 3hye n ARG 73 Cb 0.56 -2.19 -0.03 0.00 0.45 0.00 0.00 32.46 31.25 3hye n ARG 73 CO 0.00 0.00 0.00 -1.50 -2.51 0.00 0.00 177.63 173.62 3hye s ILE 74 N 0.02 3.41 0.43 5.15 2.07 -1.26 -5.02 121.20 125.99 3hye s ILE 74 Ca 0.72 1.13 -0.17 0.00 -1.41 0.00 0.00 60.65 60.93 3hye s ILE 74 Cb -0.76 -3.61 -0.09 0.00 0.13 0.00 0.00 42.46 38.14 3hye s ILE 74 CO 0.49 0.06 0.88 -0.94 -1.91 0.00 0.00 174.94 173.52 3hye s SER 75 N -1.34 6.74 0.32 4.50 1.04 -1.26 -4.91 113.70 118.79 3hye s SER 75 Ca 0.58 1.47 0.01 0.00 0.48 0.00 0.00 55.95 58.49 3hye s SER 75 Cb -0.27 -2.46 0.54 0.00 0.10 0.00 0.00 66.02 63.93 3hye s SER 75 CO 0.33 -0.40 1.91 0.58 0.98 0.00 0.00 173.24 176.65 3hye h VAL 76 N 1.50 1.19 -0.47 5.02 2.07 -1.95 0.10 116.25 123.71 3hye h VAL 76 Ca -0.48 -0.60 0.01 0.00 0.82 0.00 0.00 66.70 66.45 3hye h VAL 76 Cb 1.18 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3hye h VAL 76 CO 0.63 0.24 0.30 0.00 0.02 0.00 0.00 177.57 178.75 3hye h ALA 77 N 1.48 0.59 -0.11 1.67 0.00 -1.98 -0.60 119.26 120.32 3hye h ALA 77 Ca 0.18 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 3hye h ALA 77 Cb 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hye h ALA 77 CO -0.02 0.01 -0.76 0.00 0.00 0.00 0.00 179.25 178.49 3hye h ALA 78 N 1.18 0.46 -0.43 0.00 0.00 -1.74 -2.12 119.26 116.62 3hye h ALA 78 Ca 0.18 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 3hye h ALA 78 Cb -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hye h ALA 78 CO -0.05 0.73 -0.12 0.00 0.00 0.00 0.00 179.25 179.80 3hye h ALA 79 N 0.76 0.59 -0.40 0.00 0.00 -0.68 -2.26 119.26 117.27 3hye h ALA 79 Ca -0.04 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 3hye h ALA 79 Cb 1.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3hye h ALA 79 CO 0.14 0.49 -0.08 0.66 0.00 0.00 0.00 179.25 180.46 3hye h SER 80 N 0.66 0.67 0.78 0.00 4.64 -1.12 -2.60 113.55 116.58 3hye h SER 80 Ca 0.11 -0.18 -0.09 0.00 -0.47 0.00 0.00 61.79 61.16 3hye h SER 80 Cb 0.66 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 3hye h SER 80 CO 0.05 0.79 -0.41 0.50 -0.87 0.00 0.00 176.83 176.89 3hye h LYS 81 N 0.63 0.00 -0.21 4.77 3.64 -1.20 0.03 116.57 124.22 3hye h LYS 81 Ca 0.12 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3hye h LYS 81 Cb 0.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 3hye h LYS 81 CO 0.03 0.41 0.07 0.82 -2.27 0.00 0.00 179.45 178.51 3hye h ILE 82 N 0.00 1.19 -0.24 2.00 2.04 -1.02 0.15 117.51 121.63 3hye h ILE 82 Ca -0.00 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 3hye h ILE 82 Cb 0.92 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3hye h ILE 82 CO 0.05 0.19 -0.02 0.25 0.00 0.00 0.00 178.15 178.63 3hye h LEU 83 N 0.18 0.44 -0.14 1.44 5.85 -1.35 -1.87 115.31 119.85 3hye h LEU 83 Ca 0.07 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.50 3hye h LEU 83 Cb 0.23 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3hye h LEU 83 CO -0.00 0.66 -0.15 -1.28 -0.34 0.00 0.00 178.44 177.33 3hye h SER 84 N 0.21 -0.46 -0.07 1.25 0.87 -0.84 -0.76 113.55 113.74 3hye h SER 84 Ca 0.07 0.09 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 3hye h SER 84 Cb 0.45 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 3hye h SER 84 CO 0.02 -0.19 -0.13 0.78 -0.53 0.00 0.00 176.83 176.78 3hye h ASN 85 N -0.18 0.38 0.36 6.23 -0.26 -0.65 -0.87 115.58 120.59 3hye h ASN 85 Ca 0.10 -0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.73 3hye h ASN 85 Cb 0.32 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 3hye h ASN 85 CO -0.25 0.54 -0.17 0.25 -1.06 0.00 0.00 177.43 176.74 3hye h LEU 86 N 0.37 -0.41 -1.32 1.61 7.12 -0.86 -2.63 115.31 119.18 3hye h LEU 86 Ca 0.07 -0.12 0.12 0.00 0.13 0.00 0.00 57.88 58.08 3hye h LEU 86 Cb 0.45 0.11 -0.06 0.00 -0.53 0.00 0.00 40.66 40.62 3hye h LEU 86 CO 0.03 -0.10 0.55 0.58 -0.13 0.00 0.00 178.44 179.36 3hye h VAL 87 N -0.75 0.90 -0.16 1.05 2.07 -1.02 -0.79 116.25 117.55 3hye h VAL 87 Ca -0.05 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.16 3hye h VAL 87 Cb 0.51 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3hye h VAL 87 CO 0.08 0.13 -0.19 0.22 0.02 0.00 0.00 177.57 177.84 3hye h TYR 88 N 0.72 0.29 0.00 1.57 5.03 -0.99 -1.88 116.97 121.71 3hye h TYR 88 Ca 0.40 -0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.64 3hye h TYR 88 Cb 0.57 -0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.77 3hye h TYR 88 CO -0.00 0.45 -0.13 1.96 -1.32 0.00 0.00 178.16 179.11 3hye h GLN 89 N 0.25 0.00 -0.02 1.82 1.08 -0.77 -2.18 115.11 115.30 3hye h GLN 89 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3hye h GLN 89 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 3hye h GLN 89 CO 0.03 0.13 -0.07 0.66 -0.95 0.00 0.00 178.83 178.64 3hye n TYR 90 N -4.38 0.00 -1.67 2.96 4.01 -0.73 -4.98 117.16 112.37 3hye n TYR 90 Ca -0.03 0.00 -0.58 0.00 -0.16 0.00 0.00 57.90 57.13 3hye n TYR 90 Cb 0.20 -0.02 -0.08 0.00 -0.31 0.00 0.00 39.34 39.14 3hye n TYR 90 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3hye n LYS 91 N 0.22 0.82 0.00 -0.72 4.81 -0.82 -0.43 118.16 122.03 3hye n LYS 91 Ca 0.17 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.90 3hye n LYS 91 Cb 0.40 -1.92 0.00 0.00 0.02 0.00 0.00 35.03 33.53 3hye n LYS 91 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hye n GLY 92 N 3.52 3.32 0.20 3.14 0.00 -1.26 -4.91 105.19 109.20 3hye n GLY 92 Ca 0.25 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.41 3hye n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye h ALA 93 N 0.00 1.00 0.00 4.61 0.00 -1.14 -3.47 119.26 120.26 3hye h ALA 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hye h ALA 93 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hye h ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3hye n GLY 94 N 0.47 1.28 3.76 0.00 0.00 -1.26 -5.09 105.19 104.35 3hye n GLY 94 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3hye n GLY 94 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hye s LEU 95 N 0.00 3.87 -0.28 0.99 1.43 -1.26 -5.00 118.68 118.43 3hye s LEU 95 Ca 0.00 2.59 -0.02 0.00 -1.03 0.00 0.00 54.13 55.68 3hye s LEU 95 Cb 0.00 -4.30 0.09 0.00 0.03 0.00 0.00 46.19 42.01 3hye s LEU 95 CO 0.00 -1.40 0.09 -0.55 0.23 0.00 0.00 176.35 174.72 3hye s SER 96 N -1.14 3.73 -0.19 2.29 0.15 -1.26 -4.83 113.70 112.45 3hye s SER 96 Ca 0.70 -1.41 -0.14 0.00 0.70 0.00 0.00 55.95 55.80 3hye s SER 96 Cb -0.36 -0.75 0.06 0.00 -1.71 0.00 0.00 66.02 63.26 3hye s SER 96 CO 0.42 -0.39 0.48 0.00 1.20 0.00 0.00 173.24 174.95 3hye s MET 97 N 1.73 0.51 -0.20 5.44 0.23 -1.26 0.25 119.30 125.99 3hye s MET 97 Ca 0.07 0.78 0.02 0.00 -1.03 0.00 0.00 55.69 55.53 3hye s MET 97 Cb -0.17 0.14 0.03 0.00 -1.53 0.00 0.00 34.83 33.30 3hye s MET 97 CO -0.23 -0.11 -0.17 0.20 -2.03 0.00 0.00 175.02 172.68 3hye s GLY 98 N 0.89 1.46 0.05 3.16 0.00 0.20 -0.97 107.32 112.10 3hye s GLY 98 Ca -0.05 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 43.31 3hye s GLY 98 CO -0.07 0.40 -0.05 -1.08 0.00 0.00 0.00 173.10 172.29 3hye s THR 99 N 1.25 0.40 -0.13 0.90 -1.32 -0.10 -1.71 115.64 114.92 3hye s THR 99 Ca 0.01 -1.32 0.01 0.00 -1.21 0.00 0.00 61.69 59.18 3hye s THR 99 Cb -0.15 -0.88 0.02 0.00 -1.51 0.00 0.00 72.50 69.98 3hye s THR 99 CO -0.10 -0.61 -0.15 -0.04 -2.21 0.00 0.00 174.62 171.50 3hye s MET 100 N -2.37 2.31 -0.28 7.08 -1.94 -1.25 0.04 119.30 122.88 3hye s MET 100 Ca -0.05 -0.58 -0.10 0.00 -1.71 0.00 0.00 55.69 53.26 3hye s MET 100 Cb -0.04 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.73 3hye s MET 100 CO -0.03 -0.15 0.17 0.42 -0.01 0.00 0.00 175.02 175.42 3hye s ILE 101 N 1.24 5.07 -0.08 2.53 -1.09 0.14 -1.72 121.20 127.30 3hye s ILE 101 Ca -0.00 0.03 0.05 0.00 -2.23 0.00 0.00 60.65 58.49 3hye s ILE 101 Cb -0.14 -3.44 -0.00 0.00 -1.58 0.00 0.00 42.46 37.30 3hye s ILE 101 CO -0.06 0.23 -0.23 0.00 -1.23 0.00 0.00 174.94 173.65 3hye s GLY 103 N 0.15 -0.07 -0.30 0.00 0.00 -0.69 -0.82 107.32 105.59 3hye s GLY 103 Ca -0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 44.72 44.29 3hye s GLY 103 CO 0.06 -0.13 0.14 -0.47 0.00 0.00 0.00 173.10 172.70 3hye s TYR 104 N -3.91 0.41 0.24 1.90 6.14 -1.26 -0.45 117.35 120.43 3hye s TYR 104 Ca 0.11 -1.03 0.07 0.00 0.64 0.00 0.00 57.07 56.86 3hye s TYR 104 Cb -0.05 -0.91 -0.04 0.00 0.42 0.00 0.00 41.96 41.38 3hye s TYR 104 CO 0.05 -0.83 0.18 0.95 0.64 0.00 0.00 175.55 176.53 3hye s THR 105 N 1.90 4.39 0.16 4.34 -4.23 -1.13 -4.27 115.64 116.80 3hye s THR 105 Ca 0.11 -1.40 -0.16 0.00 -1.18 0.00 0.00 61.69 59.06 3hye s THR 105 Cb -0.17 -3.35 0.02 0.00 1.34 0.00 0.00 72.50 70.34 3hye s THR 105 CO -0.30 -0.32 1.80 -0.09 -0.54 0.00 0.00 174.62 175.17 3hye h ARG 10 N 1.63 0.58 -0.23 3.99 9.65 -1.92 1.03 114.38 129.12 3hye h ARG 10 Ca -0.48 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.27 3hye h ARG 10 Cb 1.23 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.67 3hye h ARG 10 CO 0.61 0.41 -0.20 0.87 2.80 0.00 0.00 179.97 184.47 3hye h LYS 10 N 0.58 0.41 0.00 0.20 6.56 -2.01 -3.35 116.57 118.96 3hye h LYS 10 Ca 0.16 -0.13 -0.14 0.00 -1.06 0.00 0.00 60.65 59.48 3hye h LYS 10 Cb -0.03 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.57 3hye h LYS 10 CO -0.03 0.59 -1.62 0.39 -2.06 0.00 0.00 179.45 176.72 3hye n GLU 106 N -4.17 2.05 0.00 3.15 1.02 -1.08 -5.13 120.64 116.48 3hye n GLU 106 Ca -0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3hye n GLU 106 Cb 0.35 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 3hye n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hye n GLY 107 N 2.32 -1.71 3.70 0.62 0.00 0.35 -4.78 105.19 105.69 3hye n GLY 107 Ca -0.13 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 3hye n GLY 107 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hye s PRO 108 N 0.00 4.19 -0.01 1.61 0.02 -1.26 -2.82 135.00 136.73 3hye s PRO 108 Ca 0.00 2.39 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3hye s PRO 108 Cb 0.00 -3.40 0.01 0.00 0.02 0.00 0.00 34.50 31.13 3hye s PRO 108 CO 0.00 -0.70 -0.01 0.99 -0.33 0.00 0.00 177.00 176.96 3hye s THR 109 N 1.98 0.12 -0.06 0.99 2.01 0.41 -5.00 115.64 116.10 3hye s THR 109 Ca 0.73 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.75 3hye s THR 109 Cb -0.43 -0.15 0.01 0.00 0.01 0.00 0.00 72.50 71.95 3hye s THR 109 CO 0.32 0.06 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.57 3hye s ILE 110 N 0.30 1.09 -0.12 1.82 1.01 -1.26 -1.70 121.20 122.33 3hye s ILE 110 Ca -0.03 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3hye s ILE 110 Cb -0.05 -0.99 0.01 0.00 0.01 0.00 0.00 42.46 41.44 3hye s ILE 110 CO -0.01 0.34 -0.18 -0.31 0.00 0.00 0.00 174.94 174.78 3hye s TYR 111 N 0.59 2.26 -0.11 3.97 2.02 -0.04 -1.99 117.35 124.05 3hye s TYR 111 Ca -0.13 -1.07 -0.22 0.00 -0.37 0.00 0.00 57.07 55.28 3hye s TYR 111 Cb -0.15 -1.58 -0.03 0.00 -0.40 0.00 0.00 41.96 39.80 3hye s TYR 111 CO 0.03 -0.51 0.64 -0.47 -1.57 0.00 0.00 175.55 173.67 3hye s TYR 112 N 0.84 3.52 -0.08 2.71 5.04 0.17 0.23 117.35 129.78 3hye s TYR 112 Ca -0.08 1.10 -0.01 0.00 -2.44 0.00 0.00 57.07 55.63 3hye s TYR 112 Cb -0.15 -2.75 0.03 0.00 0.35 0.00 0.00 41.96 39.43 3hye s TYR 112 CO -0.00 0.04 -0.01 0.08 -1.34 0.00 0.00 175.55 174.32 3hye s VAL 113 N 1.03 0.49 0.40 3.14 1.01 0.11 -0.21 120.40 126.38 3hye s VAL 113 Ca 0.33 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.43 3hye s VAL 113 Cb -0.17 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 35.52 3hye s VAL 113 CO 0.14 0.28 0.03 1.51 0.00 0.00 0.00 175.10 177.06 3hye s ASP 114 N 1.91 3.95 0.00 3.32 1.47 -0.70 -0.93 116.67 125.69 3hye s ASP 114 Ca 0.05 -1.31 0.13 0.00 1.18 0.00 0.00 52.55 52.60 3hye s ASP 114 Cb -0.12 -0.41 0.70 0.00 -0.34 0.00 0.00 42.92 42.75 3hye s ASP 114 CO -0.06 -0.44 1.30 -1.54 0.68 0.00 0.00 175.17 175.11 3hye n SER 115 N -1.00 0.00 0.01 2.11 3.41 -0.15 -1.28 113.62 116.72 3hye n SER 115 Ca -0.04 -0.06 0.13 0.00 -0.26 0.00 0.00 58.87 58.63 3hye n SER 115 Cb 0.66 -0.20 0.48 0.00 -0.26 0.00 0.00 64.21 64.89 3hye n SER 115 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hye n ASP 116 N -1.20 0.23 0.00 4.04 10.43 -1.26 -4.73 116.55 124.06 3hye n ASP 116 Ca 0.07 0.27 0.00 0.00 2.57 0.00 0.00 54.79 57.70 3hye n ASP 116 Cb 0.09 -0.27 0.00 0.00 1.84 0.00 0.00 41.12 42.78 3hye n ASP 116 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hye n GLY 117 N 1.48 0.55 3.73 0.44 0.00 -0.41 -4.98 105.19 106.01 3hye n GLY 117 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3hye n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hye s THR 118 N -2.02 3.48 -0.16 2.61 2.01 -1.24 -4.89 115.64 115.43 3hye s THR 118 Ca 0.00 1.21 -0.02 0.00 0.31 0.00 0.00 61.69 63.20 3hye s THR 118 Cb 0.00 -3.78 0.05 0.00 0.01 0.00 0.00 72.50 68.78 3hye s THR 118 CO 0.00 0.18 0.01 -0.60 -0.69 0.00 0.00 174.62 173.51 3hye s ARG 119 N -0.05 0.84 -0.07 4.92 3.52 -1.25 -1.73 118.95 125.13 3hye s ARG 119 Ca 0.55 -0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.84 3hye s ARG 119 Cb -0.34 -1.82 0.01 0.00 -1.56 0.00 0.00 34.95 31.25 3hye s ARG 119 CO 0.36 -0.51 -0.12 -0.51 -0.81 0.00 0.00 175.30 173.72 3hye s LEU 120 N 1.83 1.60 0.04 -0.88 1.43 0.71 -4.94 118.68 118.47 3hye s LEU 120 Ca 0.01 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.60 3hye s LEU 120 Cb -0.15 -0.83 -0.06 0.00 0.03 0.00 0.00 46.19 45.17 3hye s LEU 120 CO -0.07 0.02 0.61 -0.75 0.23 0.00 0.00 176.35 176.38 3hye s LYS 121 N 0.79 4.30 0.23 1.70 2.20 -1.26 0.46 119.74 128.15 3hye s LYS 121 Ca -0.12 0.79 -0.22 0.00 -0.36 0.00 0.00 55.97 56.06 3hye s LYS 121 Cb -0.15 -3.29 0.06 0.00 -1.51 0.00 0.00 37.83 32.93 3hye s LYS 121 CO 0.02 0.49 0.91 0.20 -0.36 0.00 0.00 175.35 176.62 3hye s GLY 122 N -0.64 0.01 -0.15 5.54 0.00 -0.84 -4.97 107.32 106.27 3hye s GLY 122 Ca 0.31 -0.26 0.09 0.00 0.00 0.00 0.00 44.72 44.86 3hye s GLY 122 CO 0.19 0.62 0.23 1.22 0.00 0.00 0.00 173.10 175.36 3hye n ASP 123 N -0.88 1.04 -3.83 1.64 10.43 -1.26 -4.09 116.55 119.59 3hye n ASP 123 Ca -0.05 0.13 -0.17 0.00 2.57 0.00 0.00 54.79 57.26 3hye n ASP 123 Cb 0.60 0.07 -0.16 0.00 1.84 0.00 0.00 41.12 43.46 3hye n ASP 123 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3hye s ILE 124 N -2.54 0.24 -0.05 0.53 1.01 -1.26 -0.15 121.20 118.98 3hye s ILE 124 Ca -0.16 0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 3hye s ILE 124 Cb 0.07 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.24 3hye s ILE 124 CO 0.77 0.16 0.14 -0.36 0.00 0.00 0.00 174.94 175.64 3hye s PHE 125 N 0.96 -0.14 -0.04 3.97 0.40 -0.71 -5.02 117.98 117.41 3hye s PHE 125 Ca -0.10 0.34 0.02 0.00 -0.60 0.00 0.00 56.93 56.59 3hye s PHE 125 Cb -0.14 0.05 0.01 0.00 0.51 0.00 0.00 43.02 43.45 3hye s PHE 125 CO -0.01 -0.09 -0.06 0.00 0.70 0.00 0.00 175.22 175.76 3hye s VAL 127 N 0.57 0.80 0.00 0.00 1.01 -0.05 -4.86 120.40 117.87 3hye s VAL 127 Ca -0.08 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3hye s VAL 127 Cb -0.12 -0.70 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3hye s VAL 127 CO 0.01 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.96 3hye n GLY 128 N 3.12 2.73 0.06 4.51 0.00 -1.26 -1.67 105.19 112.69 3hye n GLY 128 Ca -0.17 -2.04 0.04 0.00 0.00 0.00 0.00 46.02 43.86 3hye n GLY 128 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hye n SER 129 N 0.00 0.22 -0.60 1.61 3.41 -0.28 -1.06 113.62 116.92 3hye n SER 129 Ca 0.00 0.60 0.06 0.00 -0.26 0.00 0.00 58.87 59.27 3hye n SER 129 Cb 0.00 -0.63 0.11 0.00 -0.26 0.00 0.00 64.21 63.43 3hye n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hye n GLY 130 N -1.37 1.15 0.26 5.00 0.00 -0.37 -4.74 105.19 105.12 3hye n GLY 130 Ca -0.00 -0.38 0.04 0.00 0.00 0.00 0.00 46.02 45.68 3hye n GLY 130 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3hye h GLN 131 N 2.35 0.27 -0.78 1.61 3.07 -1.29 -1.88 115.11 118.45 3hye h GLN 131 Ca 0.00 -0.02 0.06 0.00 0.09 0.00 0.00 58.65 58.79 3hye h GLN 131 Cb 0.63 -0.06 -0.05 0.00 0.08 0.00 0.00 27.48 28.08 3hye h GLN 131 CO 0.00 0.18 0.51 1.79 0.09 0.00 0.00 178.83 181.40 3hye h THR 132 N 0.28 1.04 -0.24 1.86 1.35 -1.85 0.15 112.91 115.50 3hye h THR 132 Ca 0.39 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.92 3hye h THR 132 Cb 0.65 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.18 3hye h THR 132 CO -0.48 0.16 -0.02 -0.26 -0.25 0.00 0.00 175.52 174.66 3hye h PHE 133 N 0.85 0.50 -0.58 4.73 0.04 -1.71 -2.53 116.94 118.24 3hye h PHE 133 Ca 0.34 -0.10 -0.08 0.00 2.80 0.00 0.00 57.97 60.93 3hye h PHE 133 Cb 0.23 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 3hye h PHE 133 CO -0.00 0.64 0.04 0.00 -0.60 0.00 0.00 178.31 178.39 3hye h ALA 134 N 0.79 0.98 -0.88 2.45 0.00 -1.22 -2.90 119.26 118.47 3hye h ALA 134 Ca 0.07 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hye h ALA 134 Cb 0.46 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3hye h ALA 134 CO 0.02 0.63 0.54 1.88 0.00 0.00 0.00 179.25 182.32 3hye h TYR 135 N 0.91 1.14 -0.04 0.00 0.99 -0.89 -0.27 116.97 118.81 3hye h TYR 135 Ca 0.17 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.92 3hye h TYR 135 Cb 0.47 -0.38 -0.01 0.00 1.00 0.00 0.00 36.73 37.81 3hye h TYR 135 CO 0.03 0.75 -0.04 0.78 -0.00 0.00 0.00 178.16 179.68 3hye h GLY 136 N 1.21 0.00 0.79 3.88 0.00 -1.25 0.18 103.07 107.89 3hye h GLY 136 Ca 0.32 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 3hye h GLY 136 CO -0.06 -0.04 -0.04 -2.08 0.00 0.00 0.00 176.54 174.31 3hye h VAL 137 N -0.05 1.05 0.13 4.60 2.07 -1.46 -3.12 116.25 119.47 3hye h VAL 137 Ca 0.03 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.09 3hye h VAL 137 Cb 0.09 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3hye h VAL 137 CO -0.07 0.12 -0.19 0.25 0.02 0.00 0.00 177.57 177.70 3hye h LEU 138 N -0.32 -0.51 -1.33 2.57 5.85 -0.93 -2.82 115.31 117.82 3hye h LEU 138 Ca -0.01 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.87 3hye h LEU 138 Cb 0.28 0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.44 3hye h LEU 138 CO 0.02 -0.27 0.53 0.44 -0.34 0.00 0.00 178.44 178.82 3hye h ASP 139 N -0.37 0.67 0.59 1.25 3.32 -0.71 -0.53 116.42 120.63 3hye h ASP 139 Ca 0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3hye h ASP 139 Cb 0.38 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3hye h ASP 139 CO -0.08 0.39 -0.39 -1.54 -1.72 0.00 0.00 179.24 175.89 3hye n SER 140 N -4.52 0.42 0.00 6.45 3.41 -1.16 -4.16 113.62 114.06 3hye n SER 140 Ca 0.14 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3hye n SER 140 Cb 0.35 0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3hye n SER 140 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hye n ASN 141 N -1.46 0.59 -4.73 4.04 4.13 -1.02 -5.04 115.26 111.76 3hye n ASN 141 Ca 0.06 -0.80 -0.41 0.00 1.68 0.00 0.00 54.58 55.11 3hye n ASN 141 Cb 0.34 0.34 -0.04 0.00 -1.54 0.00 0.00 39.78 38.88 3hye n ASN 141 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3hye s TYR 142 N -0.34 3.65 -0.05 3.10 6.14 -0.24 -5.03 117.35 124.58 3hye s TYR 142 Ca 0.00 1.65 -0.05 0.00 0.64 0.00 0.00 57.07 59.31 3hye s TYR 142 Cb 0.00 -3.22 0.01 0.00 0.42 0.00 0.00 41.96 39.18 3hye s TYR 142 CO 0.00 -0.40 0.13 0.15 0.64 0.00 0.00 175.55 176.07 3hye s LYS 143 N -0.23 0.15 0.47 4.97 3.01 -1.26 -5.03 119.74 121.83 3hye s LYS 143 Ca 0.49 0.19 0.15 0.00 -1.01 0.00 0.00 55.97 55.78 3hye s LYS 143 Cb -0.28 0.07 1.07 0.00 -1.01 0.00 0.00 37.83 37.68 3hye s LYS 143 CO 0.33 -0.02 2.04 2.35 0.51 0.00 0.00 175.35 180.56 3hye h TRP 144 N 5.98 0.02 -0.42 3.18 2.91 -1.96 -2.75 115.95 122.91 3hye h TRP 144 Ca -0.25 -0.00 -0.17 0.00 1.13 0.00 0.00 58.89 59.59 3hye h TRP 144 Cb 1.20 -0.01 -0.10 0.00 -0.51 0.00 0.00 29.16 29.74 3hye h TRP 144 CO 0.41 0.14 0.22 -0.25 -1.03 0.00 0.00 178.44 177.92 3hye n ASP 145 N -4.39 3.35 -4.77 2.65 8.00 -1.26 -0.69 116.55 119.45 3hye n ASP 145 Ca -0.02 -2.68 -0.34 0.00 0.71 0.00 0.00 54.79 52.46 3hye n ASP 145 Cb 0.19 -0.64 0.04 0.00 -0.02 0.00 0.00 41.12 40.69 3hye n ASP 145 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hye s LEU 146 N -1.52 3.49 0.33 0.64 1.02 -1.04 -4.99 118.68 116.60 3hye s LEU 146 Ca 0.27 2.10 -0.09 0.00 0.02 0.00 0.00 54.13 56.43 3hye s LEU 146 Cb 0.22 -4.56 -0.07 0.00 0.02 0.00 0.00 46.19 41.80 3hye s LEU 146 CO 0.06 -1.59 0.66 -0.94 0.02 0.00 0.00 176.35 174.56 3hye s SER 147 N -2.27 6.56 0.30 2.29 1.04 -1.26 -4.55 113.70 115.81 3hye s SER 147 Ca 0.70 1.00 0.06 0.00 0.48 0.00 0.00 55.95 58.19 3hye s SER 147 Cb -0.23 -2.26 0.76 0.00 0.10 0.00 0.00 66.02 64.39 3hye s SER 147 CO 0.38 -0.25 1.75 0.58 0.98 0.00 0.00 173.24 176.68 3hye h VAL 148 N 1.47 0.63 -0.22 5.02 2.07 -1.95 0.56 116.25 123.83 3hye h VAL 148 Ca -0.47 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 3hye h VAL 148 Cb 1.18 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3hye h VAL 148 CO 0.66 0.12 0.07 -0.08 0.02 0.00 0.00 177.57 178.36 3hye h GLU 149 N 0.65 0.34 -0.22 1.57 4.81 -2.00 -1.41 114.58 118.33 3hye h GLU 149 Ca 0.59 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.61 3hye h GLU 149 Cb 1.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 3hye h GLU 149 CO -0.43 0.42 -0.44 -0.44 -0.73 0.00 0.00 179.01 177.40 3hye h ASP 150 N 0.19 0.58 -0.10 1.04 3.45 -1.52 -2.73 116.42 117.33 3hye h ASP 150 Ca 0.07 -0.27 -0.01 0.00 0.43 0.00 0.00 57.03 57.26 3hye h ASP 150 Cb 0.22 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3hye h ASP 150 CO -0.00 0.94 0.03 0.00 -1.57 0.00 0.00 179.24 178.64 3hye h ALA 151 N 1.09 0.14 -0.98 3.45 0.00 0.15 -0.20 119.26 122.90 3hye h ALA 151 Ca 0.03 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.93 3hye h ALA 151 Cb 0.94 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.61 3hye h ALA 151 CO 0.08 -0.25 0.63 -0.07 0.00 0.00 0.00 179.25 179.63 3hye h LEU 152 N -0.02 0.92 -0.27 0.00 3.38 -1.22 -1.58 115.31 116.52 3hye h LEU 152 Ca 0.03 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3hye h LEU 152 Cb 0.21 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hye h LEU 152 CO -0.00 0.52 -0.24 0.22 0.09 0.00 0.00 178.44 179.03 3hye h TYR 153 N 1.01 0.76 -0.42 1.13 5.03 -1.15 -1.69 116.97 121.65 3hye h TYR 153 Ca 0.47 -0.22 0.06 0.00 2.58 0.00 0.00 58.73 61.62 3hye h TYR 153 Cb 0.41 -0.16 -0.06 0.00 1.55 0.00 0.00 36.73 38.47 3hye h TYR 153 CO -0.00 0.94 0.09 1.25 -1.32 0.00 0.00 178.16 179.12 3hye h LEU 154 N 0.37 0.03 -0.15 2.82 5.85 -0.13 0.50 115.31 124.60 3hye h LEU 154 Ca 0.05 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3hye h LEU 154 Cb 0.80 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3hye h LEU 154 CO 0.06 0.05 0.09 1.23 -0.34 0.00 0.00 178.44 179.53 3hye h GLY 155 N 0.22 0.22 0.96 3.75 0.00 -1.27 0.54 103.07 107.49 3hye h GLY 155 Ca 0.20 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.45 3hye h GLY 155 CO -0.26 0.09 0.58 1.70 0.00 0.00 0.00 176.54 178.66 3hye h LYS 156 N 0.16 1.14 -0.52 4.80 3.64 -0.56 -1.88 116.57 123.35 3hye h LYS 156 Ca 0.05 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 3hye h LYS 156 Cb 0.04 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.59 3hye h LYS 156 CO -0.01 0.75 -0.12 -0.09 -2.27 0.00 0.00 179.45 177.72 3hye h ARG 157 N 1.17 0.98 -0.58 1.90 9.65 0.37 -1.98 114.38 125.89 3hye h ARG 157 Ca 0.34 -0.36 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 3hye h ARG 157 Cb -0.08 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.41 3hye h ARG 157 CO -0.09 1.03 0.05 0.77 2.80 0.00 0.00 179.97 184.54 3hye h SER 158 N 0.87 0.92 0.02 -3.80 0.02 -0.45 -0.22 113.55 110.91 3hye h SER 158 Ca 0.14 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.75 3hye h SER 158 Cb 0.67 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 3hye h SER 158 CO 0.05 0.95 -0.37 0.40 -1.14 0.00 0.00 176.83 176.71 3hye h ILE 159 N 0.89 1.30 -0.58 3.27 1.08 -1.22 -2.67 117.51 119.58 3hye h ILE 159 Ca 0.18 -1.50 -0.03 0.00 -0.39 0.00 0.00 64.86 63.12 3hye h ILE 159 Cb 0.45 1.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.71 3hye h ILE 159 CO 0.02 0.47 0.24 0.25 -0.69 0.00 0.00 178.15 178.44 3hye h LEU 160 N 0.40 0.79 -0.46 1.44 5.85 -0.64 0.34 115.31 123.03 3hye h LEU 160 Ca 0.04 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.65 3hye h LEU 160 Cb 0.83 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 3hye h LEU 160 CO 0.07 0.73 0.20 0.00 -0.34 0.00 0.00 178.44 179.10 3hye h ALA 161 N 1.09 0.57 -0.22 1.25 0.00 -0.85 -1.83 119.26 119.27 3hye h ALA 161 Ca 0.19 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3hye h ALA 161 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hye h ALA 161 CO -0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 179.25 178.95 3hye h ALA 162 N 1.27 0.31 -0.52 0.00 0.00 -1.12 -2.82 119.26 116.38 3hye h ALA 162 Ca 0.21 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.92 3hye h ALA 162 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hye h ALA 162 CO -0.17 0.16 0.36 0.00 0.00 0.00 0.00 179.25 179.60 3hye h ALA 163 N 0.71 2.18 -0.02 0.00 0.00 -0.05 0.12 119.26 122.19 3hye h ALA 163 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hye h ALA 163 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hye h ALA 163 CO 0.03 -0.30 -0.09 1.25 0.00 0.00 0.00 179.25 180.14 3hye h HIS 164 N 0.23 0.14 0.01 0.00 6.17 -1.16 -3.37 115.15 117.16 3hye h HIS 164 Ca 0.24 -0.06 -0.26 0.00 0.71 0.00 0.00 60.37 61.01 3hye h HIS 164 Cb 0.65 -0.02 -0.04 0.00 2.52 0.00 0.00 27.41 30.52 3hye h HIS 164 CO -0.00 0.73 -1.38 0.00 0.71 0.00 0.00 177.93 177.99 3hye h ARG 165 N -0.49 0.01 -5.41 5.26 2.47 -1.24 -3.45 114.38 111.52 3hye h ARG 165 Ca -0.00 -0.02 -0.62 0.00 -1.26 0.00 0.00 59.98 58.07 3hye h ARG 165 Cb 0.74 0.01 -0.13 0.00 -1.65 0.00 0.00 29.97 28.93 3hye h ARG 165 CO 0.02 0.76 0.07 0.34 0.56 0.00 0.00 179.97 181.71 3hye s ASP 166 N -6.42 6.44 0.55 7.04 3.68 0.38 -4.94 116.67 123.41 3hye s ASP 166 Ca -0.02 0.34 0.22 0.00 2.13 0.00 0.00 52.55 55.22 3hye s ASP 166 Cb 0.09 -2.31 1.52 0.00 -1.45 0.00 0.00 42.92 40.77 3hye s ASP 166 CO 0.82 -0.44 2.19 0.00 0.13 0.00 0.00 175.17 177.87 3hye h ALA 167 N 8.23 1.76 -0.15 3.66 0.00 -1.86 -1.52 119.26 129.37 3hye h ALA 167 Ca -0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hye h ALA 167 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3hye h ALA 167 CO 0.78 0.01 0.00 0.66 0.00 0.00 0.00 179.25 180.70 3hye n TYR 168 N -4.20 0.19 -4.40 0.00 4.01 -1.26 -4.86 117.16 106.64 3hye n TYR 168 Ca -0.03 -0.10 -0.28 0.00 -0.16 0.00 0.00 57.90 57.33 3hye n TYR 168 Cb 0.09 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 38.99 3hye n TYR 168 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3hye s SER 169 N -1.61 3.15 0.00 7.72 0.01 -0.57 -1.48 113.70 120.92 3hye s SER 169 Ca 0.33 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.86 3hye s SER 169 Cb 0.18 -0.21 0.00 0.00 0.21 0.00 0.00 66.02 66.20 3hye s SER 169 CO 0.27 0.16 0.00 0.61 0.41 0.00 0.00 173.24 174.69 3hye n GLY 170 N 0.99 0.22 4.10 3.44 0.00 -1.26 -4.60 105.19 108.09 3hye n GLY 170 Ca -0.18 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3hye n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hye n GLY 171 N 0.00 1.76 3.58 -0.02 0.00 -1.26 -2.01 105.19 107.24 3hye n GLY 171 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 3hye n GLY 171 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hye s SER 172 N -4.00 0.22 -0.08 1.61 1.04 -1.25 -1.10 113.70 110.14 3hye s SER 172 Ca 0.00 -1.12 0.04 0.00 0.48 0.00 0.00 55.95 55.35 3hye s SER 172 Cb 0.00 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 3hye s SER 172 CO 0.00 -1.25 -0.21 -0.69 0.98 0.00 0.00 173.24 172.07 3hye s VAL 173 N -3.53 2.41 -0.17 5.02 1.01 0.91 -2.45 120.40 123.60 3hye s VAL 173 Ca 0.24 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 3hye s VAL 173 Cb -0.01 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 3hye s VAL 173 CO 0.13 0.56 -0.10 0.20 0.00 0.00 0.00 175.10 175.89 3hye s ASN 174 N -0.02 4.09 0.09 3.32 0.02 -0.75 0.40 114.94 122.09 3hye s ASN 174 Ca -0.06 -0.36 0.06 0.00 -1.02 0.00 0.00 52.86 51.47 3hye s ASN 174 Cb -0.15 -1.65 -0.04 0.00 0.02 0.00 0.00 41.25 39.43 3hye s ASN 174 CO 0.05 0.09 -0.07 -0.76 0.02 0.00 0.00 177.10 176.43 3hye s LEU 175 N 0.81 3.16 -0.01 0.60 1.43 -0.95 -2.34 118.68 121.39 3hye s LEU 175 Ca -0.04 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 3hye s LEU 175 Cb -0.15 -1.93 0.00 0.00 0.03 0.00 0.00 46.19 44.15 3hye s LEU 175 CO 0.01 0.19 0.15 -0.31 0.23 0.00 0.00 176.35 176.62 3hye s TYR 176 N -1.21 0.00 -0.07 0.29 1.51 -0.05 -0.58 117.35 117.25 3hye s TYR 176 Ca 0.22 -0.05 0.03 0.00 -1.01 0.00 0.00 57.07 56.27 3hye s TYR 176 Cb -0.11 -0.03 0.01 0.00 -0.11 0.00 0.00 41.96 41.71 3hye s TYR 176 CO 0.14 -0.27 -0.17 -1.58 -1.11 0.00 0.00 175.55 172.56 3hye s HIS 177 N -1.21 1.83 -0.21 2.71 5.65 -0.38 -1.79 115.29 121.89 3hye s HIS 177 Ca -0.13 -0.66 -0.02 0.00 0.25 0.00 0.00 55.06 54.49 3hye s HIS 177 Cb -0.07 -1.27 0.00 0.00 -1.18 0.00 0.00 32.58 30.07 3hye s HIS 177 CO 0.02 -0.28 -0.09 0.08 -0.65 0.00 0.00 174.74 173.82 3hye s VAL 178 N 0.40 2.99 0.34 0.89 1.01 0.55 0.77 120.40 127.35 3hye s VAL 178 Ca -0.13 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.29 3hye s VAL 178 Cb -0.15 -2.35 -0.06 0.00 0.00 0.00 0.00 36.38 33.82 3hye s VAL 178 CO 0.05 0.44 -0.06 0.42 0.00 0.00 0.00 175.10 175.95 3hye s THR 179 N 1.42 2.40 0.60 3.92 -4.23 0.46 -1.93 115.64 118.28 3hye s THR 179 Ca 0.05 -2.12 0.30 0.00 -1.18 0.00 0.00 61.69 58.75 3hye s THR 179 Cb -0.14 -2.70 0.36 0.00 1.34 0.00 0.00 72.50 71.36 3hye s THR 179 CO -0.06 -0.20 2.13 -0.08 -0.54 0.00 0.00 174.62 175.87 3hye h GLU 180 N 1.94 0.00 -0.10 3.99 4.81 -1.93 0.16 114.58 123.45 3hye h GLU 180 Ca -0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 3hye h GLU 180 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3hye h GLU 180 CO 0.69 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.72 3hye n ASP 181 N -3.68 1.63 0.00 1.04 10.43 -1.26 -4.87 116.55 119.84 3hye n ASP 181 Ca 0.00 -1.62 0.00 0.00 2.57 0.00 0.00 54.79 55.74 3hye n ASP 181 Cb 0.27 -0.06 0.00 0.00 1.84 0.00 0.00 41.12 43.17 3hye n ASP 181 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hye n GLY 183 N 1.16 0.93 3.92 0.44 0.00 0.57 -4.93 105.19 107.27 3hye n GLY 183 Ca 0.17 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 3hye n GLY 183 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3hye s TRP 184 N -1.00 3.50 -0.15 1.61 1.48 -1.01 -0.40 118.94 122.96 3hye s TRP 184 Ca 0.00 0.32 0.02 0.00 -1.06 0.00 0.00 56.10 55.38 3hye s TRP 184 Cb 0.00 -1.82 0.01 0.00 -1.16 0.00 0.00 33.47 30.50 3hye s TRP 184 CO 0.00 0.52 -0.20 0.42 -4.06 0.00 0.00 176.95 173.62 3hye s ILE 185 N -1.61 2.01 0.30 0.66 -1.09 0.23 -4.95 121.20 116.74 3hye s ILE 185 Ca 0.37 -0.93 -0.29 0.00 -2.23 0.00 0.00 60.65 57.57 3hye s ILE 185 Cb -0.12 -1.79 -0.10 0.00 -1.58 0.00 0.00 42.46 38.87 3hye s ILE 185 CO 0.27 0.54 1.15 -0.47 -1.23 0.00 0.00 174.94 175.20 3hye s TYR 186 N 1.04 3.43 -0.28 3.97 5.04 -1.26 -1.25 117.35 128.04 3hye s TYR 186 Ca -0.02 1.62 0.10 0.00 -2.44 0.00 0.00 57.07 56.33 3hye s TYR 186 Cb -0.14 -3.38 0.47 0.00 0.35 0.00 0.00 41.96 39.25 3hye s TYR 186 CO -0.07 -0.90 1.18 0.72 -1.34 0.00 0.00 175.55 175.14 3hye n HIS 187 N 1.03 2.47 0.00 4.97 8.25 0.26 -4.92 115.22 127.27 3hye n HIS 187 Ca -0.01 -2.19 0.00 0.00 -0.26 0.00 0.00 57.72 55.27 3hye n HIS 187 Cb 0.44 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3hye n HIS 187 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hye n GLY 188 N -0.70 -2.31 3.37 -1.41 0.00 -1.26 -4.48 105.19 98.40 3hye n GLY 188 Ca 0.38 -1.47 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 3hye n GLY 188 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hye s ASN 189 N -4.39 4.76 -0.34 1.61 3.84 -1.26 -2.23 114.94 116.93 3hye s ASN 189 Ca 0.00 -0.37 -0.02 0.00 0.21 0.00 0.00 52.86 52.68 3hye s ASN 189 Cb 0.00 -1.83 0.07 0.00 -0.55 0.00 0.00 41.25 38.94 3hye s ASN 189 CO 0.00 -0.05 0.07 -1.00 -2.79 0.00 0.00 177.10 173.33 3hye s HIS 190 N 1.54 3.39 0.07 0.43 3.76 0.16 -4.88 115.29 119.75 3hye s HIS 190 Ca 0.06 -2.07 -0.33 0.00 -0.15 0.00 0.00 55.06 52.56 3hye s HIS 190 Cb -0.15 -2.51 -0.12 0.00 1.11 0.00 0.00 32.58 30.91 3hye s HIS 190 CO 0.00 -0.86 1.76 -3.47 -0.85 0.00 0.00 174.74 171.33 3hye n ASP 191 N 4.61 3.52 0.01 1.40 2.03 -1.26 -0.06 116.55 126.80 3hye n ASP 191 Ca -0.09 1.01 0.01 0.00 0.52 0.00 0.00 54.79 56.25 3hye n ASP 191 Cb 0.43 -1.45 0.35 0.00 -0.72 0.00 0.00 41.12 39.73 3hye n ASP 191 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3hye h VAL 192 N 4.57 1.17 0.23 5.18 2.07 -1.43 0.17 116.25 128.21 3hye h VAL 192 Ca -0.47 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3hye h VAL 192 Cb 1.25 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 3hye h VAL 192 CO 0.93 0.22 -0.51 1.23 0.02 0.00 0.00 177.57 179.46 3hye h GLY 193 N 0.74 -1.20 0.81 2.17 0.00 -1.89 0.60 103.07 104.30 3hye h GLY 193 Ca 0.11 0.63 -0.07 0.00 0.00 0.00 0.00 47.33 48.00 3hye h GLY 193 CO -0.00 -0.30 -0.15 0.83 0.00 0.00 0.00 176.54 176.92 3hye h GLU 194 N -0.81 0.45 -0.95 4.80 5.08 -1.90 -3.19 114.58 118.06 3hye h GLU 194 Ca -0.02 -0.22 0.19 0.00 -1.00 0.00 0.00 59.36 58.31 3hye h GLU 194 Cb 0.77 -0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.94 3hye h GLU 194 CO -0.21 0.78 0.61 1.25 -1.00 0.00 0.00 179.01 180.43 3hye h LEU 195 N 0.13 0.61 0.38 1.33 5.85 -0.50 -2.41 115.31 120.70 3hye h LEU 195 Ca 0.04 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3hye h LEU 195 Cb 0.67 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3hye h LEU 195 CO 0.04 0.24 -0.18 0.15 -0.34 0.00 0.00 178.44 178.35 3hye h PHE 196 N 0.61 -0.48 -0.50 1.25 3.04 -0.86 -0.82 116.94 119.18 3hye h PHE 196 Ca 0.52 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.45 3hye h PHE 196 Cb 1.00 0.16 -0.02 0.00 2.56 0.00 0.00 35.95 39.64 3hye h PHE 196 CO -0.00 -0.24 0.30 -1.49 -2.02 0.00 0.00 178.31 174.86 3hye h TRP 197 N -0.62 0.65 0.41 0.41 -0.00 -1.57 0.43 115.95 115.66 3hye h TRP 197 Ca -0.05 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 3hye h TRP 197 Cb 0.45 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.16 29.38 3hye h TRP 197 CO -0.02 0.45 -0.42 -0.22 -0.00 0.00 0.00 178.44 178.23 3hye h LYS 198 N 0.66 -0.82 -0.85 0.49 3.64 -1.41 -1.06 116.57 117.22 3hye h LYS 198 Ca 0.18 0.06 0.07 0.00 -1.27 0.00 0.00 60.65 59.68 3hye h LYS 198 Cb -0.01 0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3hye h LYS 198 CO -0.03 -0.55 0.56 0.28 -2.27 0.00 0.00 179.45 177.43 3hye h VAL 199 N -0.85 1.04 0.25 2.00 2.07 -1.00 -0.86 116.25 118.90 3hye h VAL 199 Ca -0.04 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3hye h VAL 199 Cb 0.76 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 3hye h VAL 199 CO -0.07 0.17 -0.12 0.50 0.02 0.00 0.00 177.57 178.07 3hye h LYS 200 N 0.94 -0.33 0.39 1.57 3.64 -0.29 0.49 116.57 122.98 3hye h LYS 200 Ca 0.37 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.75 3hye h LYS 200 Cb 0.24 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3hye h LYS 200 CO -0.14 -0.19 -0.19 1.49 -2.27 0.00 0.00 179.45 178.15 3hye h GLU 201 N -0.37 -0.50 0.00 1.90 4.81 -0.81 0.62 114.58 120.23 3hye h GLU 201 Ca -0.03 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3hye h GLU 201 Cb 0.29 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3hye h GLU 201 CO 0.06 -0.27 -0.14 0.93 -0.73 0.00 0.00 179.01 178.86 3hye h GLU 202 N -0.64 0.00 0.00 1.92 5.08 -1.19 -3.27 114.58 116.48 3hye h GLU 202 Ca -0.05 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.08 3hye h GLU 202 Cb 0.47 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 3hye h GLU 202 CO 0.09 0.14 -1.88 -1.91 -1.00 0.00 0.00 179.01 174.45 3hye n GLU 203 N -3.58 1.76 -0.58 2.33 2.13 0.16 -5.00 120.64 117.86 3hye n GLU 203 Ca -0.01 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.79 3hye n GLU 203 Cb 0.28 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.65 3hye n GLU 203 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hye n GLY 204 N 2.16 0.85 3.91 8.31 0.00 0.22 -5.05 105.19 115.58 3hye n GLY 204 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3hye n GLY 204 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hye s SER 205 N -3.01 3.21 -1.37 1.61 1.04 -1.23 -4.23 113.70 109.72 3hye s SER 205 Ca 0.00 0.38 -0.07 0.00 0.48 0.00 0.00 55.95 56.74 3hye s SER 205 Cb 0.00 -0.50 0.03 0.00 0.10 0.00 0.00 66.02 65.65 3hye s SER 205 CO 0.00 -2.68 0.98 0.49 0.98 0.00 0.00 173.24 173.00 3hye n PHE 206 N -3.76 -2.36 0.24 5.02 3.72 -1.26 -4.64 117.46 114.42 3hye n PHE 206 Ca 0.14 0.93 0.08 0.00 -0.05 0.00 0.00 57.45 58.55 3hye n PHE 206 Cb 0.60 -4.57 0.60 0.00 -0.94 0.00 0.00 39.48 35.16 3hye n PHE 206 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3hye h ASN 207 N -2.18 0.00 0.92 4.37 -1.24 -1.96 -2.33 115.58 113.15 3hye h ASN 207 Ca -0.59 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.42 3hye h ASN 207 Cb 1.36 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 40.41 3hye h ASN 207 CO 0.59 0.15 -0.03 -1.13 -1.29 0.00 0.00 177.43 175.72 3hye h ASN 208 N 0.00 0.00 -3.29 1.15 -1.24 -1.95 -3.43 115.58 106.82 3hye h ASN 208 Ca -0.00 0.00 -0.58 0.00 0.71 0.00 0.00 56.30 56.43 3hye h ASN 208 Cb 0.30 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.29 3hye h ASN 208 CO 0.02 0.03 -0.08 -0.69 -1.29 0.00 0.00 177.43 175.41 3hye s VAL 209 N -3.72 5.07 -0.18 2.57 1.01 -0.88 -5.04 120.40 119.23 3hye s VAL 209 Ca 0.01 1.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.80 3hye s VAL 209 Cb 0.09 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3hye s VAL 209 CO 0.55 0.38 0.92 -0.63 0.00 0.00 0.00 175.10 176.31 3hye s ILE 210 N 0.19 4.81 0.00 2.22 1.01 -1.26 -5.04 121.20 123.13 3hye s ILE 210 Ca 0.28 1.80 0.00 0.00 0.00 0.00 0.00 60.65 62.74 3hye s ILE 210 Cb -0.17 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.09 3hye s ILE 210 CO 0.14 -0.04 0.47 0.61 0.00 0.00 0.00 174.94 176.12