#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 0.59 0.01 12.58 2.01 -1.26 -0.22 115.64 129.36 3hye s THR 2 Ca 0.00 -0.03 0.02 0.00 0.31 0.00 0.00 61.69 61.99 3hye s THR 2 Cb 0.00 -0.72 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 3hye s THR 2 CO 0.00 0.28 -0.08 0.27 -0.69 0.00 0.00 174.62 174.41 3hye s ILE 3 N 1.88 0.60 0.10 1.82 -4.36 -0.93 -1.92 121.20 118.39 3hye s ILE 3 Ca 0.05 -0.52 -0.03 0.00 -0.26 0.00 0.00 60.65 59.89 3hye s ILE 3 Cb -0.12 -0.54 -0.03 0.00 1.25 0.00 0.00 42.46 43.01 3hye s ILE 3 CO -0.06 0.03 0.07 0.68 0.24 0.00 0.00 174.94 175.90 3hye s VAL 4 N -0.47 0.15 -0.01 8.37 -7.23 -0.47 -1.40 120.40 119.33 3hye s VAL 4 Ca 0.00 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 3hye s VAL 4 Cb -0.05 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.19 3hye s VAL 4 CO 0.00 -0.68 -0.01 -0.83 -0.31 0.00 0.00 175.10 173.27 3hye s GLY 5 N -2.96 0.16 -0.03 2.32 0.00 0.32 -1.48 107.32 105.64 3hye s GLY 5 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 44.72 44.88 3hye s GLY 5 CO -0.05 0.24 0.05 0.14 0.00 0.00 0.00 173.10 173.48 3hye s VAL 6 N 0.44 -0.09 0.27 1.40 1.01 0.11 -0.88 120.40 122.65 3hye s VAL 6 Ca -0.04 0.35 -0.22 0.00 0.00 0.00 0.00 61.98 62.06 3hye s VAL 6 Cb -0.07 -0.12 -0.09 0.00 0.00 0.00 0.00 36.38 36.10 3hye s VAL 6 CO -0.01 0.14 0.82 -0.54 0.00 0.00 0.00 175.10 175.51 3hye s LYS 7 N 1.74 4.38 0.22 2.72 -0.14 0.19 -0.56 119.74 128.29 3hye s LYS 7 Ca -0.01 1.05 0.03 0.00 -1.36 0.00 0.00 55.97 55.69 3hye s LYS 7 Cb -0.12 -2.82 -0.05 0.00 -1.68 0.00 0.00 37.83 33.15 3hye s LYS 7 CO -0.03 0.33 0.01 -0.59 -0.76 0.00 0.00 175.35 174.31 3hye s PHE 8 N -1.58 1.45 0.37 3.18 -0.12 -0.73 -4.73 117.98 115.82 3hye s PHE 8 Ca 0.46 -0.97 0.28 0.00 -0.05 0.00 0.00 56.93 56.65 3hye s PHE 8 Cb -0.17 -0.84 1.26 0.00 -0.63 0.00 0.00 43.02 42.64 3hye s PHE 8 CO 0.22 -0.12 1.30 0.27 -0.05 0.00 0.00 175.22 176.84 3hye n ASN 9 N -0.37 0.16 -1.06 1.98 0.23 0.20 -1.91 115.26 114.50 3hye n ASN 9 Ca -0.05 1.13 0.05 0.00 -0.53 0.00 0.00 54.58 55.17 3hye n ASN 9 Cb 0.64 -0.55 0.09 0.00 -2.08 0.00 0.00 39.78 37.88 3hye n ASN 9 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3hye n ASN 10 N -4.30 1.25 0.00 0.53 5.15 -1.26 -5.08 115.26 111.56 3hye n ASN 10 Ca 0.34 -2.74 0.00 0.00 -0.60 0.00 0.00 54.58 51.58 3hye n ASN 10 Cb 1.33 -0.38 0.00 0.00 -0.53 0.00 0.00 39.78 40.20 3hye n ASN 10 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hye n GLY 11 N -0.19 -0.65 3.32 8.20 0.00 -0.80 -0.79 105.19 114.27 3hye n GLY 11 Ca 0.11 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.44 3hye n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hye s VAL 12 N -3.72 0.03 0.01 1.61 0.11 -0.20 -1.78 120.40 116.46 3hye s VAL 12 Ca 0.00 -0.26 0.04 0.00 -2.93 0.00 0.00 61.98 58.84 3hye s VAL 12 Cb 0.00 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.15 3hye s VAL 12 CO 0.00 -0.14 -0.14 0.54 -3.33 0.00 0.00 175.10 172.03 3hye s VAL 13 N -0.88 1.07 0.09 2.04 0.11 0.28 -0.82 120.40 122.29 3hye s VAL 13 Ca -0.09 -0.76 0.06 0.00 -2.93 0.00 0.00 61.98 58.26 3hye s VAL 13 Cb -0.04 -0.93 -0.03 0.00 -1.53 0.00 0.00 36.38 33.85 3hye s VAL 13 CO 0.04 0.17 -0.16 0.27 -3.33 0.00 0.00 175.10 172.09 3hye s ILE 14 N -0.55 1.31 0.17 7.04 -4.36 -0.72 0.04 121.20 124.13 3hye s ILE 14 Ca 0.04 -1.45 -0.08 0.00 -0.26 0.00 0.00 60.65 58.89 3hye s ILE 14 Cb -0.06 -1.29 -0.01 0.00 1.25 0.00 0.00 42.46 42.34 3hye s ILE 14 CO 0.00 -0.22 0.26 0.00 0.24 0.00 0.00 174.94 175.22 3hye s ALA 15 N -1.42 0.15 0.07 2.27 0.00 -0.55 -1.30 121.76 120.97 3hye s ALA 15 Ca 0.02 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 50.73 3hye s ALA 15 Cb -0.09 0.91 0.08 0.00 0.00 0.00 0.00 23.12 24.02 3hye s ALA 15 CO 0.03 -0.64 0.72 0.00 0.00 0.00 0.00 175.76 175.87 3hye s ALA 16 N -3.99 -1.71 0.91 0.00 0.00 -0.52 -1.37 121.76 115.08 3hye s ALA 16 Ca 0.20 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 3hye s ALA 16 Cb 0.04 0.57 0.20 0.00 0.00 0.00 0.00 23.12 23.93 3hye s ALA 16 CO 0.02 -0.68 1.24 0.16 0.00 0.00 0.00 175.76 176.49 3hye s ASP 17 N -2.43 3.30 -0.12 0.00 -4.77 -0.81 -0.95 116.67 110.89 3hye s ASP 17 Ca 0.01 -0.08 0.17 0.00 -3.30 0.00 0.00 52.55 49.35 3hye s ASP 17 Cb -0.01 0.01 0.26 0.00 -1.09 0.00 0.00 42.92 42.10 3hye s ASP 17 CO -0.09 -2.58 1.13 0.35 0.70 0.00 0.00 175.17 174.68 3hye n THR 18 N -3.52 1.68 -3.34 2.11 -2.24 -1.03 -4.56 114.28 103.38 3hye n THR 18 Ca 0.17 -2.04 -0.38 0.00 -2.27 0.00 0.00 64.05 59.53 3hye n THR 18 Cb 0.60 -0.15 -0.06 0.00 -2.10 0.00 0.00 70.33 68.61 3hye n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3hye s ARG 19 N -2.56 4.19 -0.12 -0.78 3.52 -1.22 -0.81 118.95 121.17 3hye s ARG 19 Ca 0.29 0.53 0.02 0.00 -0.13 0.00 0.00 55.73 56.44 3hye s ARG 19 Cb 0.25 -3.33 0.01 0.00 -1.56 0.00 0.00 34.95 30.32 3hye s ARG 19 CO 0.02 0.42 -0.19 0.45 -0.81 0.00 0.00 175.30 175.20 3hye s SER 20 N -0.27 2.76 0.22 -2.12 0.15 -0.23 -4.79 113.70 109.42 3hye s SER 20 Ca 0.27 -0.51 0.11 0.00 0.70 0.00 0.00 55.95 56.51 3hye s SER 20 Cb -0.17 -1.26 -0.05 0.00 -1.71 0.00 0.00 66.02 62.84 3hye s SER 20 CO 0.14 0.05 -0.19 0.42 1.20 0.00 0.00 173.24 174.85 3hye s THR 21 N 0.87 2.58 -0.43 6.45 -4.23 -1.26 -0.86 115.64 118.75 3hye s THR 21 Ca -0.08 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.39 3hye s THR 21 Cb -0.15 -2.28 0.13 0.00 1.34 0.00 0.00 72.50 71.53 3hye s THR 21 CO -0.01 -0.20 0.21 -1.10 -0.54 0.00 0.00 174.62 172.98 3hye s GLN 22 N -2.97 1.34 6.60 3.99 -0.21 0.39 -4.83 119.66 123.97 3hye s GLN 22 Ca 0.24 -1.98 0.00 0.00 0.02 0.00 0.00 55.36 53.64 3hye s GLN 22 Cb -0.07 -2.50 0.00 0.00 1.00 0.00 0.00 33.01 31.44 3hye s GLN 22 CO 0.13 -1.12 0.00 0.41 -2.12 0.00 0.00 175.29 172.59 3hye n GLY 23 N 3.67 1.94 0.52 3.09 0.00 -1.26 -2.12 105.19 111.04 3hye n GLY 23 Ca 0.06 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.74 3hye n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hye n PRO 24 N 13.03 1.69 -3.90 1.61 -0.04 -1.26 -4.87 135.00 141.26 3hye n PRO 24 Ca 0.00 -1.04 -0.36 0.00 -0.04 0.00 0.00 63.50 62.06 3hye n PRO 24 Cb 0.00 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 3hye n PRO 24 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hye s ILE 25 N -1.80 5.31 -0.57 0.52 1.09 -0.90 -5.05 121.20 119.80 3hye s ILE 25 Ca 0.32 0.14 -0.26 0.00 -1.10 0.00 0.00 60.65 59.75 3hye s ILE 25 Cb 0.17 -3.34 0.04 0.00 -1.06 0.00 0.00 42.46 38.27 3hye s ILE 25 CO 0.26 0.56 1.04 -0.69 -0.10 0.00 0.00 174.94 176.01 3hye s VAL 26 N -0.54 4.24 0.11 2.92 1.01 -1.26 -0.46 120.40 126.41 3hye s VAL 26 Ca 0.12 0.49 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 3hye s VAL 26 Cb -0.12 -4.62 -0.18 0.00 0.00 0.00 0.00 36.38 31.46 3hye s VAL 26 CO 0.02 -1.22 1.29 0.00 0.00 0.00 0.00 175.10 175.18 3hye h ALA 27 N 9.42 0.30 -3.34 5.51 0.00 -1.32 -3.44 119.26 126.38 3hye h ALA 27 Ca -0.26 -0.65 -0.37 0.00 0.00 0.00 0.00 54.91 53.63 3hye h ALA 27 Cb 1.07 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 18.48 3hye h ALA 27 CO 1.13 0.72 -0.74 0.34 0.00 0.00 0.00 179.25 180.70 3hye s ASP 28 N -7.15 1.02 0.00 0.00 3.68 -1.08 -5.02 116.67 108.12 3hye s ASP 28 Ca -0.09 0.04 0.27 0.00 2.13 0.00 0.00 52.55 54.91 3hye s ASP 28 Cb 0.08 -0.19 0.93 0.00 -1.45 0.00 0.00 42.92 42.30 3hye s ASP 28 CO 0.90 -0.21 1.69 0.29 0.13 0.00 0.00 175.17 177.96 3hye n LYS 29 N 5.04 0.33 -2.74 4.34 5.02 -1.26 -1.07 118.16 127.81 3hye n LYS 29 Ca -0.09 -0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 55.97 3hye n LYS 29 Cb 0.50 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 34.06 3hye n LYS 29 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hye n ASN 30 N -1.22 0.27 -4.82 4.39 4.05 -1.09 -4.49 115.26 112.36 3hye n ASN 30 Ca 0.10 -2.75 -0.29 0.00 0.45 0.00 0.00 54.58 52.09 3hye n ASN 30 Cb 0.32 0.00 0.12 0.00 1.23 0.00 0.00 39.78 41.45 3hye n ASN 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3hye s ALA 32 N -3.37 2.77 -1.76 0.00 0.00 -1.26 -4.57 121.76 113.58 3hye s ALA 32 Ca 0.63 -1.61 0.25 0.00 0.00 0.00 0.00 51.96 51.23 3hye s ALA 32 Cb -0.14 -1.84 0.42 0.00 0.00 0.00 0.00 23.12 21.57 3hye s ALA 32 CO 0.52 -1.05 1.35 1.63 0.00 0.00 0.00 175.76 178.21 3hye n LYS 33 N 4.65 0.87 -3.23 0.00 5.02 -1.26 -4.83 118.16 119.38 3hye n LYS 33 Ca -0.15 -0.61 -0.40 0.00 -2.02 0.00 0.00 58.31 55.13 3hye n LYS 33 Cb 0.45 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 3hye n LYS 33 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hye s LEU 34 N -2.55 4.14 0.17 -0.35 1.02 -1.26 -1.59 118.68 118.25 3hye s LEU 34 Ca 0.21 0.35 0.09 0.00 0.02 0.00 0.00 54.13 54.80 3hye s LEU 34 Cb 0.19 -2.65 -0.04 0.00 0.02 0.00 0.00 46.19 43.70 3hye s LEU 34 CO 0.57 -0.36 -0.10 -1.00 0.02 0.00 0.00 176.35 175.48 3hye s HIS 35 N 2.37 2.65 -0.19 0.29 3.76 0.32 -4.94 115.29 119.54 3hye s HIS 35 Ca 0.21 -0.21 -0.09 0.00 -0.15 0.00 0.00 55.06 54.82 3hye s HIS 35 Cb -0.15 -1.31 -0.04 0.00 1.11 0.00 0.00 32.58 32.18 3hye s HIS 35 CO 0.11 0.50 0.09 0.50 -0.85 0.00 0.00 174.74 175.08 3hye s ARG 36 N -2.72 4.07 -0.22 1.40 3.52 -1.26 0.94 118.95 124.68 3hye s ARG 36 Ca 0.24 -0.29 -0.16 0.00 -0.13 0.00 0.00 55.73 55.39 3hye s ARG 36 Cb -0.09 -3.31 -0.18 0.00 -1.56 0.00 0.00 34.95 29.81 3hye s ARG 36 CO 0.15 0.28 0.05 -0.89 -0.81 0.00 0.00 175.30 174.08 3hye n ILE 37 N 3.53 1.56 -4.15 4.11 2.08 0.63 -4.85 119.36 122.27 3hye n ILE 37 Ca -0.16 -0.24 -0.14 0.00 0.56 0.00 0.00 62.75 62.76 3hye n ILE 37 Cb 0.52 -1.92 -0.07 0.00 -0.75 0.00 0.00 39.64 37.43 3hye n ILE 37 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3hye s SER 38 N -7.04 0.74 0.29 4.38 1.04 -1.03 -4.52 113.70 107.56 3hye s SER 38 Ca -0.31 -1.44 0.03 0.00 0.48 0.00 0.00 55.95 54.71 3hye s SER 38 Cb 0.09 0.55 0.71 0.00 0.10 0.00 0.00 66.02 67.47 3hye s SER 38 CO 0.59 -1.09 1.70 -0.65 0.98 0.00 0.00 173.24 174.76 3hye h PRO 39 N 2.28 0.39 -0.19 4.02 0.11 -2.00 -2.76 132.00 133.85 3hye h PRO 39 Ca -0.29 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 3hye h PRO 39 Cb 1.24 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hye h PRO 39 CO 0.41 0.26 -0.02 1.63 -0.21 0.00 0.00 178.00 180.08 3hye n LYS 40 N -5.04 2.29 -3.77 1.05 5.02 -1.26 -4.54 118.16 111.90 3hye n LYS 40 Ca 0.22 -2.81 -0.29 0.00 -2.02 0.00 0.00 58.31 53.40 3hye n LYS 40 Cb 0.64 -1.74 -0.15 0.00 -0.02 0.00 0.00 35.03 33.76 3hye n LYS 40 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hye s ILE 41 N -2.90 0.92 0.25 -0.18 1.01 -1.04 -1.33 121.20 117.92 3hye s ILE 41 Ca 0.39 -1.18 0.08 0.00 0.00 0.00 0.00 60.65 59.94 3hye s ILE 41 Cb 0.33 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 3hye s ILE 41 CO 0.06 -0.47 0.10 0.26 0.00 0.00 0.00 174.94 174.89 3hye s TRP 42 N 1.63 2.94 -0.00 3.97 0.52 -0.01 -0.27 118.94 127.71 3hye s TRP 42 Ca 0.05 -0.15 0.03 0.00 0.02 0.00 0.00 56.10 56.05 3hye s TRP 42 Cb -0.17 -1.33 -0.01 0.00 -1.15 0.00 0.00 33.47 30.81 3hye s TRP 42 CO -0.18 0.56 -0.09 0.00 0.02 0.00 0.00 176.95 177.27 3hye s ALA 44 N -0.26 3.01 -0.02 0.00 0.00 0.15 0.12 121.76 124.76 3hye s ALA 44 Ca 0.03 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.24 3hye s ALA 44 Cb -0.04 -1.56 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 3hye s ALA 44 CO -0.00 0.22 -0.24 0.20 0.00 0.00 0.00 175.76 175.94 3hye s GLY 45 N 0.35 1.34 0.18 0.00 0.00 -0.62 -0.91 107.32 107.66 3hye s GLY 45 Ca -0.04 -1.11 0.04 0.00 0.00 0.00 0.00 44.72 43.61 3hye s GLY 45 CO 0.03 -0.93 -0.07 0.00 0.00 0.00 0.00 173.10 172.13 3hye s ALA 46 N -0.66 1.61 0.00 3.20 0.00 0.62 -4.89 121.76 121.63 3hye s ALA 46 Ca 0.11 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.48 3hye s ALA 46 Cb -0.10 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3hye s ALA 46 CO -0.00 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3hye n GLY 47 N -0.28 1.05 3.60 0.00 0.00 -1.26 -1.62 105.19 106.68 3hye n GLY 47 Ca -0.08 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 43.92 3hye n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hye s THR 48 N 0.00 4.03 0.24 2.61 2.01 0.70 -4.93 115.64 120.30 3hye s THR 48 Ca 0.00 1.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.97 3hye s THR 48 Cb 0.00 -4.43 0.23 0.00 0.01 0.00 0.00 72.50 68.31 3hye s THR 48 CO 0.00 -0.94 1.68 0.00 -0.69 0.00 0.00 174.62 174.67 3hye h ALA 49 N 10.04 0.91 -0.19 7.40 0.00 -1.89 0.43 119.26 135.95 3hye h ALA 49 Ca -0.25 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3hye h ALA 49 Cb 1.08 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3hye h ALA 49 CO 1.12 -0.35 0.01 0.00 0.00 0.00 0.00 179.25 180.03 3hye h ALA 50 N 1.61 1.66 -0.02 0.00 0.00 -1.96 -2.02 119.26 118.53 3hye h ALA 50 Ca 0.41 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 3hye h ALA 50 Cb 0.69 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.40 3hye h ALA 50 CO -0.52 0.26 -0.36 -0.44 0.00 0.00 0.00 179.25 178.19 3hye h ASP 51 N 0.28 0.36 -0.54 0.00 3.45 -1.29 -0.80 116.42 117.87 3hye h ASP 51 Ca 0.07 -0.73 -0.03 0.00 0.43 0.00 0.00 57.03 56.77 3hye h ASP 51 Cb 0.18 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.81 3hye h ASP 51 CO 0.00 1.04 0.23 0.71 -1.57 0.00 0.00 179.24 179.65 3hye h THR 52 N -0.28 1.21 -0.14 0.35 1.35 -1.11 0.65 112.91 114.94 3hye h THR 52 Ca -0.04 -0.66 -0.10 0.00 -0.55 0.00 0.00 66.41 65.06 3hye h THR 52 Cb 1.07 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3hye h THR 52 CO 0.07 0.26 -0.28 -0.08 -0.25 0.00 0.00 175.52 175.24 3hye h GLU 53 N 0.84 0.44 -0.43 4.72 4.57 -1.41 -2.16 114.58 121.15 3hye h GLU 53 Ca 0.20 -0.29 -0.09 0.00 -1.18 0.00 0.00 59.36 58.01 3hye h GLU 53 Cb 0.17 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3hye h GLU 53 CO -0.02 0.89 -0.07 0.00 -1.18 0.00 0.00 179.01 178.63 3hye h ALA 54 N 0.55 0.59 -0.21 2.92 0.00 -0.88 -2.04 119.26 120.18 3hye h ALA 54 Ca 0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 3hye h ALA 54 Cb 0.88 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3hye h ALA 54 CO 0.06 0.44 -0.42 -0.24 0.00 0.00 0.00 179.25 179.10 3hye h VAL 55 N 0.64 1.30 -0.40 0.00 3.04 -0.94 -1.04 116.25 118.85 3hye h VAL 55 Ca 0.11 -1.58 -0.13 0.00 -1.01 0.00 0.00 66.70 64.09 3hye h VAL 55 Cb 0.60 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 3hye h VAL 55 CO 0.04 0.49 -0.28 0.74 -1.01 0.00 0.00 177.57 177.55 3hye h THR 56 N 0.42 1.27 0.03 3.17 2.02 -1.32 -2.52 112.91 115.99 3hye h THR 56 Ca 0.03 -1.43 -0.22 0.00 0.77 0.00 0.00 66.41 65.56 3hye h THR 56 Cb 0.90 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 3hye h THR 56 CO 0.08 0.48 -0.99 1.56 0.37 0.00 0.00 175.52 177.02 3hye h GLN 57 N 0.72 0.26 0.41 6.66 4.20 -1.20 -1.78 115.11 124.37 3hye h GLN 57 Ca 0.09 -0.32 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 3hye h GLN 57 Cb 0.83 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.71 3hye h GLN 57 CO 0.07 1.06 -0.20 1.25 -0.67 0.00 0.00 178.83 180.34 3hye h LEU 58 N 0.12 -0.47 -1.18 1.46 5.85 -1.12 0.34 115.31 120.32 3hye h LEU 58 Ca -0.07 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 3hye h LEU 58 Cb 1.66 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.78 3hye h LEU 58 CO 0.16 -0.16 0.07 0.40 -0.34 0.00 0.00 178.44 178.57 3hye h ILE 59 N -0.78 1.20 -0.78 4.05 5.03 -1.57 -1.67 117.51 122.99 3hye h ILE 59 Ca -0.06 -0.76 0.01 0.00 -0.12 0.00 0.00 64.86 63.94 3hye h ILE 59 Cb 0.53 0.81 -0.04 0.00 -3.03 0.00 0.00 36.82 35.09 3hye h ILE 59 CO 0.09 0.27 0.51 1.23 -0.68 0.00 0.00 178.15 179.58 3hye h GLY 60 N 0.87 1.10 0.86 5.37 0.00 -1.13 0.51 103.07 110.64 3hye h GLY 60 Ca 0.14 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3hye h GLY 60 CO 0.00 0.40 0.05 0.23 0.00 0.00 0.00 176.54 177.23 3hye h SER 61 N 1.06 0.22 0.12 0.19 0.87 -0.29 -0.96 113.55 114.74 3hye h SER 61 Ca 0.28 -0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 3hye h SER 61 Cb -0.12 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3hye h SER 61 CO -0.06 0.35 -0.31 0.78 -0.53 0.00 0.00 176.83 177.05 3hye h ASN 62 N 0.08 0.30 -0.53 6.23 2.35 -0.90 -1.66 115.58 121.45 3hye h ASN 62 Ca 0.05 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 3hye h ASN 62 Cb 0.20 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3hye h ASN 62 CO -0.00 0.61 0.04 0.40 -1.65 0.00 0.00 177.43 176.82 3hye h ILE 63 N 0.26 1.26 -0.16 2.81 1.08 0.23 0.95 117.51 123.94 3hye h ILE 63 Ca 0.03 -1.04 -0.00 0.00 -0.39 0.00 0.00 64.86 63.46 3hye h ILE 63 Cb 0.69 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 35.32 3hye h ILE 63 CO 0.05 0.37 0.09 -0.08 -0.69 0.00 0.00 178.15 177.89 3hye h GLU 64 N 0.79 0.22 -0.62 2.37 4.81 -0.80 0.06 114.58 121.42 3hye h GLU 64 Ca 0.16 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3hye h GLU 64 Cb 0.48 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 3hye h GLU 64 CO 0.02 0.22 0.36 -0.07 -0.73 0.00 0.00 179.01 178.81 3hye h LEU 65 N 0.16 0.74 -0.49 1.64 3.38 -1.08 -0.99 115.31 118.68 3hye h LEU 65 Ca 0.06 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 3hye h LEU 65 Cb 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3hye h LEU 65 CO -0.01 0.58 -0.20 -0.74 0.09 0.00 0.00 178.44 178.16 3hye h HIS 66 N 0.85 1.14 -0.43 1.13 2.76 -0.37 -1.26 115.15 118.98 3hye h HIS 66 Ca 0.22 -0.27 -0.02 0.00 -2.20 0.00 0.00 60.37 58.10 3hye h HIS 66 Cb -0.01 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.66 3hye h HIS 66 CO 0.00 1.10 0.20 1.03 -1.30 0.00 0.00 177.93 178.96 3hye h SER 67 N 0.85 0.57 -0.67 3.26 0.87 -0.39 0.53 113.55 118.57 3hye h SER 67 Ca 0.11 -0.14 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 3hye h SER 67 Cb 0.78 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 3hye h SER 67 CO 0.06 0.55 0.13 -0.07 -0.53 0.00 0.00 176.83 176.97 3hye h LEU 68 N 0.55 1.05 -0.48 2.23 4.07 -1.10 0.77 115.31 122.39 3hye h LEU 68 Ca 0.15 -0.24 -0.15 0.00 0.08 0.00 0.00 57.88 57.72 3hye h LEU 68 Cb 0.14 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 3hye h LEU 68 CO -0.02 1.02 -0.38 0.22 -1.08 0.00 0.00 178.44 178.21 3hye h TYR 69 N 1.03 1.00 -0.01 1.13 5.03 -0.84 -3.22 116.97 121.10 3hye h TYR 69 Ca 0.21 -0.29 0.00 0.00 2.58 0.00 0.00 58.73 61.23 3hye h TYR 69 Cb 0.41 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.47 3hye h TYR 69 CO 0.03 1.09 -0.43 0.25 -1.32 0.00 0.00 178.16 177.77 3hye n THR 70 N -4.05 0.00 -2.34 1.81 -2.24 0.15 -4.95 114.28 102.65 3hye n THR 70 Ca -0.02 -0.12 -0.20 0.00 -2.27 0.00 0.00 64.05 61.44 3hye n THR 70 Cb 0.53 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.37 3hye n THR 70 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3hye n SER 71 N -0.77 -5.75 -4.31 3.42 7.64 0.25 -4.97 113.62 109.12 3hye n SER 71 Ca 0.09 0.03 -0.17 0.00 1.01 0.00 0.00 58.87 59.83 3hye n SER 71 Cb 0.37 -4.81 -0.10 0.00 -1.01 0.00 0.00 64.21 58.65 3hye n SER 71 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hye s ARG 72 N -4.95 1.23 0.38 1.43 0.52 -1.11 -5.05 118.95 111.39 3hye s ARG 72 Ca 0.00 -1.52 -0.26 0.00 -0.52 0.00 0.00 55.73 53.43 3hye s ARG 72 Cb 0.00 -0.98 -0.09 0.00 0.52 0.00 0.00 34.95 34.40 3hye s ARG 72 CO 0.00 0.16 1.17 -1.21 0.02 0.00 0.00 175.30 175.44 3hye s GLU 73 N -3.57 4.17 0.43 3.54 0.41 -1.26 -4.54 118.70 117.88 3hye s GLU 73 Ca 0.20 1.86 -0.25 0.00 -0.41 0.00 0.00 54.97 56.37 3hye s GLU 73 Cb -0.00 -2.78 -0.08 0.00 -1.78 0.00 0.00 34.13 29.48 3hye s GLU 73 CO 0.05 -0.23 1.27 -2.14 -0.49 0.00 0.00 175.26 173.72 3hye s PRO 74 N -2.14 3.87 0.03 0.39 0.02 -1.26 -4.85 135.00 131.06 3hye s PRO 74 Ca 0.54 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.65 3hye s PRO 74 Cb -0.31 -2.65 -0.04 0.00 0.02 0.00 0.00 34.50 31.52 3hye s PRO 74 CO 0.40 -0.55 0.04 1.03 -0.33 0.00 0.00 177.00 177.59 3hye s ARG 75 N -2.38 2.87 0.28 5.54 0.52 -1.26 -4.71 118.95 119.81 3hye s ARG 75 Ca 0.59 -0.61 -0.02 0.00 -0.52 0.00 0.00 55.73 55.16 3hye s ARG 75 Cb -0.36 -2.73 0.38 0.00 0.52 0.00 0.00 34.95 32.76 3hye s ARG 75 CO 0.45 0.61 1.87 0.28 0.02 0.00 0.00 175.30 178.53 3hye h VAL 76 N 3.15 1.22 0.00 3.52 2.07 -1.91 -1.59 116.25 122.72 3hye h VAL 76 Ca -0.48 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 3hye h VAL 76 Cb 1.17 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3hye h VAL 76 CO 0.61 0.28 -0.05 -0.37 0.02 0.00 0.00 177.57 178.05 3hye h VAL 77 N 0.96 0.28 0.02 2.57 -1.51 -1.98 -0.59 116.25 116.00 3hye h VAL 77 Ca 0.23 -0.36 -0.10 0.00 -1.23 0.00 0.00 66.70 65.25 3hye h VAL 77 Cb 0.14 1.27 0.01 0.00 -2.13 0.00 0.00 31.29 30.58 3hye h VAL 77 CO -0.02 0.05 -0.39 0.28 -1.23 0.00 0.00 177.57 176.26 3hye h SER 78 N 0.00 0.31 -0.57 4.19 0.02 -1.71 -1.62 113.55 114.17 3hye h SER 78 Ca -0.00 -0.82 -0.00 0.00 -0.84 0.00 0.00 61.79 60.13 3hye h SER 78 Cb 0.27 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3hye h SER 78 CO 0.01 1.09 0.35 0.00 -1.14 0.00 0.00 176.83 177.13 3hye h ALA 79 N 0.23 1.51 -0.31 3.77 0.00 -1.20 -1.03 119.26 122.22 3hye h ALA 79 Ca -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3hye h ALA 79 Cb 1.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3hye h ALA 79 CO 0.08 0.42 0.00 1.25 0.00 0.00 0.00 179.25 181.00 3hye h LEU 80 N 0.80 0.53 -0.58 0.00 5.85 -1.11 -1.07 115.31 119.73 3hye h LEU 80 Ca 0.21 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3hye h LEU 80 Cb -0.02 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 3hye h LEU 80 CO -0.04 0.70 -0.00 -0.61 -0.34 0.00 0.00 178.44 178.15 3hye h GLN 81 N 0.34 1.03 -0.25 1.25 5.75 -0.81 -0.82 115.11 121.59 3hye h GLN 81 Ca 0.09 -0.33 -0.15 0.00 -0.15 0.00 0.00 58.65 58.10 3hye h GLN 81 Cb 0.43 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 3hye h GLN 81 CO 0.01 1.02 -0.47 0.52 -2.65 0.00 0.00 178.83 177.27 3hye h MET 82 N 0.92 0.66 -0.05 1.69 2.86 -1.17 -2.18 114.93 117.66 3hye h MET 82 Ca 0.16 -0.37 -0.02 0.00 -2.06 0.00 0.00 59.70 57.41 3hye h MET 82 Cb 0.56 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 3hye h MET 82 CO 0.03 0.99 -0.04 -0.07 1.06 0.00 0.00 176.91 178.88 3hye h LEU 83 N 0.53 0.12 -0.80 1.22 3.38 -1.07 -2.69 115.31 115.99 3hye h LEU 83 Ca 0.03 -0.46 -0.07 0.00 0.09 0.00 0.00 57.88 57.47 3hye h LEU 83 Cb 1.01 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 3hye h LEU 83 CO 0.10 0.55 0.11 0.07 0.09 0.00 0.00 178.44 179.35 3hye h LYS 84 N -0.31 1.01 0.00 1.13 2.10 -1.18 -0.10 116.57 119.23 3hye h LYS 84 Ca 0.01 -0.25 -0.09 0.00 -2.00 0.00 0.00 60.65 58.32 3hye h LYS 84 Cb 0.51 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.70 3hye h LYS 84 CO 0.01 0.93 -0.43 1.96 -2.00 0.00 0.00 179.45 179.92 3hye h GLN 85 N 0.96 0.00 -0.02 0.07 4.20 -1.46 0.15 115.11 119.02 3hye h GLN 85 Ca 0.19 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 3hye h GLN 85 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3hye h GLN 85 CO 0.01 0.43 -0.12 1.25 -0.67 0.00 0.00 178.83 179.73 3hye h HIS 86 N 0.00 0.15 -0.50 2.96 2.76 -1.12 -2.72 115.15 116.68 3hye h HIS 86 Ca -0.00 -0.07 -0.08 0.00 -2.20 0.00 0.00 60.37 58.02 3hye h HIS 86 Cb 0.84 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.76 3hye h HIS 86 CO 0.00 0.79 -0.01 -0.07 -1.30 0.00 0.00 177.93 177.34 3hye h LEU 87 N -0.54 0.83 -0.48 0.26 3.38 -0.92 -2.87 115.31 114.96 3hye h LEU 87 Ca -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 3hye h LEU 87 Cb 0.81 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3hye h LEU 87 CO 0.02 0.90 0.25 0.15 0.09 0.00 0.00 178.44 179.86 3hye h PHE 88 N 0.79 0.67 -0.88 1.13 3.57 -0.75 -2.53 116.94 118.94 3hye h PHE 88 Ca 0.15 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.75 3hye h PHE 88 Cb 0.50 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.96 3hye h PHE 88 CO 0.03 0.51 0.57 -0.22 -2.23 0.00 0.00 178.31 176.97 3hye h LYS 89 N 0.63 0.74 -0.65 1.11 3.64 -1.27 -1.03 116.57 119.74 3hye h LYS 89 Ca 0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3hye h LYS 89 Cb 0.07 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 3hye h LYS 89 CO -0.03 0.49 0.00 0.66 -2.27 0.00 0.00 179.45 178.30 3hye n TYR 90 N -4.55 0.85 -3.37 1.91 4.01 -0.96 -4.93 117.16 110.12 3hye n TYR 90 Ca 0.16 -0.32 -0.19 0.00 -0.16 0.00 0.00 57.90 57.39 3hye n TYR 90 Cb 0.40 -0.20 -0.03 0.00 -0.31 0.00 0.00 39.34 39.20 3hye n TYR 90 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3hye n GLN 91 N 0.40 -2.10 -0.30 -0.72 1.13 -0.39 0.16 117.38 115.56 3hye n GLN 91 Ca 0.13 0.10 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 3hye n GLN 91 Cb 0.58 -4.65 0.00 0.00 0.11 0.00 0.00 30.24 26.29 3hye n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hye n GLY 93 N -0.77 1.12 0.24 1.08 0.00 -1.23 -4.88 105.19 100.74 3hye n GLY 93 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 3hye n GLY 93 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hye h HIS 94 N 0.00 0.00 -3.09 1.61 3.86 -0.58 -3.34 115.15 113.60 3hye h HIS 94 Ca 0.00 0.00 -0.74 0.00 -1.16 0.00 0.00 60.37 58.47 3hye h HIS 94 Cb 0.00 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 28.25 3hye h HIS 94 CO 0.00 0.00 -0.14 0.42 0.86 0.00 0.00 177.93 179.07 3hye s ILE 95 N -3.55 5.10 -1.02 2.45 1.01 -1.26 -4.97 121.20 118.96 3hye s ILE 95 Ca 0.02 -1.23 -0.07 0.00 0.00 0.00 0.00 60.65 59.37 3hye s ILE 95 Cb 0.09 -4.33 -0.06 0.00 0.01 0.00 0.00 42.46 38.16 3hye s ILE 95 CO 0.53 -0.87 2.23 0.61 0.00 0.00 0.00 174.94 177.43 3hye n GLY 96 N 5.24 3.28 3.47 6.18 0.00 -1.26 -4.73 105.19 117.38 3hye n GLY 96 Ca -0.12 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.57 3hye n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye s ALA 97 N 3.32 3.08 -0.20 4.61 0.00 -1.26 -0.21 121.76 131.10 3hye s ALA 97 Ca 0.45 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.47 3hye s ALA 97 Cb 0.12 -1.79 0.04 0.00 0.00 0.00 0.00 23.12 21.49 3hye s ALA 97 CO -0.03 -0.10 -0.11 0.71 0.00 0.00 0.00 175.76 176.24 3hye s TYR 98 N 0.91 2.44 0.14 0.00 2.02 -0.64 -1.74 117.35 120.48 3hye s TYR 98 Ca 0.01 -1.60 0.07 0.00 -0.37 0.00 0.00 57.07 55.18 3hye s TYR 98 Cb -0.14 -1.65 -0.04 0.00 -0.40 0.00 0.00 41.96 39.73 3hye s TYR 98 CO 0.02 -0.75 -0.16 -0.51 -1.57 0.00 0.00 175.55 172.58 3hye s LEU 99 N 1.39 2.42 -0.29 -1.29 1.43 -0.03 -0.28 118.68 122.04 3hye s LEU 99 Ca -0.01 -0.83 0.03 0.00 -1.03 0.00 0.00 54.13 52.28 3hye s LEU 99 Cb -0.16 -0.69 0.07 0.00 0.03 0.00 0.00 46.19 45.44 3hye s LEU 99 CO -0.08 -0.09 -0.05 -0.63 0.23 0.00 0.00 176.35 175.73 3hye s ILE 100 N -2.07 2.26 -0.19 -0.59 1.01 -0.08 -0.01 121.20 121.53 3hye s ILE 100 Ca 0.12 -1.83 -0.07 0.00 0.00 0.00 0.00 60.65 58.86 3hye s ILE 100 Cb -0.05 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 3hye s ILE 100 CO 0.05 -0.21 0.06 0.54 0.00 0.00 0.00 174.94 175.38 3hye s VAL 101 N 1.05 4.71 0.13 2.92 0.11 -0.20 -0.68 120.40 128.44 3hye s VAL 101 Ca -0.03 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 58.95 3hye s VAL 101 Cb -0.20 -3.13 -0.04 0.00 -1.53 0.00 0.00 36.38 31.48 3hye s VAL 101 CO -0.06 0.45 0.04 0.00 -3.33 0.00 0.00 175.10 172.20 3hye s ALA 102 N 0.50 0.89 0.00 1.54 0.00 -0.49 -0.76 121.76 123.45 3hye s ALA 102 Ca 0.03 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.52 3hye s ALA 102 Cb -0.13 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.78 3hye s ALA 102 CO 0.01 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3hye n GLY 103 N -0.10 1.23 3.32 0.00 0.00 -1.00 -0.83 105.19 107.82 3hye n GLY 103 Ca -0.06 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 3hye n GLY 103 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hye s VAL 104 N -2.00 1.99 0.37 1.61 -7.23 -0.44 -1.06 120.40 113.62 3hye s VAL 104 Ca 0.00 -1.40 -0.06 0.00 -1.81 0.00 0.00 61.98 58.72 3hye s VAL 104 Cb 0.00 -1.72 0.02 0.00 0.56 0.00 0.00 36.38 35.24 3hye s VAL 104 CO 0.00 0.25 0.57 1.51 -0.31 0.00 0.00 175.10 177.12 3hye s ASP 105 N -1.39 0.74 0.65 4.85 3.84 -0.51 -4.70 116.67 120.15 3hye s ASP 105 Ca 0.10 -1.43 0.18 0.00 -0.00 0.00 0.00 52.55 51.41 3hye s ASP 105 Cb -0.10 0.73 1.00 0.00 -1.38 0.00 0.00 42.92 43.17 3hye s ASP 105 CO 0.03 -1.43 1.56 -0.65 -0.00 0.00 0.00 175.17 174.67 3hye h PRO 10 N 2.06 0.00 -0.03 2.11 0.11 -1.88 -0.18 132.00 134.19 3hye h PRO 10 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3hye h PRO 10 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hye h PRO 10 CO 0.39 0.00 -0.11 0.25 -0.21 0.00 0.00 178.00 178.32 3hye n THR 106 N -2.70 0.00 0.00 -1.15 -2.24 -1.26 -5.09 114.28 101.84 3hye n THR 106 Ca -0.01 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3hye n THR 106 Cb 0.60 1.44 0.00 0.00 -2.10 0.00 0.00 70.33 70.27 3hye n THR 106 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hye n GLY 107 N 1.36 0.75 3.64 3.38 0.00 -0.08 -5.07 105.19 109.18 3hye n GLY 107 Ca 0.13 -2.07 -0.34 0.00 0.00 0.00 0.00 46.02 43.74 3hye n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hye s SER 108 N -4.00 4.99 0.08 1.61 1.04 -1.26 -1.43 113.70 114.73 3hye s SER 108 Ca 0.00 0.06 0.04 0.00 0.48 0.00 0.00 55.95 56.52 3hye s SER 108 Cb 0.00 -1.33 -0.03 0.00 0.10 0.00 0.00 66.02 64.76 3hye s SER 108 CO 0.00 0.36 -0.11 -1.00 0.98 0.00 0.00 173.24 173.46 3hye s HIS 109 N -0.89 1.06 -0.06 5.02 3.76 -0.23 -5.01 115.29 118.93 3hye s HIS 109 Ca 0.14 -0.56 -0.03 0.00 -0.15 0.00 0.00 55.06 54.46 3hye s HIS 109 Cb -0.11 -0.59 0.04 0.00 1.11 0.00 0.00 32.58 33.03 3hye s HIS 109 CO 0.03 0.01 0.11 -1.17 -0.85 0.00 0.00 174.74 172.88 3hye s LEU 110 N -2.07 0.03 0.17 0.89 2.96 -1.26 -2.36 118.68 117.03 3hye s LEU 110 Ca 0.01 0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.13 3hye s LEU 110 Cb -0.06 0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.67 3hye s LEU 110 CO 0.01 -0.25 0.07 -0.36 -1.32 0.00 0.00 176.35 174.51 3hye s PHE 111 N 2.23 1.07 0.02 5.38 0.08 0.06 -3.61 117.98 123.21 3hye s PHE 111 Ca 0.04 -1.24 0.03 0.00 0.12 0.00 0.00 56.93 55.87 3hye s PHE 111 Cb -0.12 -0.58 -0.02 0.00 -0.57 0.00 0.00 43.02 41.74 3hye s PHE 111 CO -0.04 -0.49 -0.08 -1.54 -0.10 0.00 0.00 175.22 172.96 3hye s SER 112 N -3.13 0.95 -0.03 1.36 1.04 -0.71 -1.03 113.70 112.15 3hye s SER 112 Ca 0.30 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 56.39 3hye s SER 112 Cb 0.07 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.16 3hye s SER 112 CO 0.06 -0.05 -0.10 -0.63 0.98 0.00 0.00 173.24 173.50 3hye s ILE 113 N -0.81 0.84 0.20 -1.02 1.01 0.99 -1.15 121.20 121.26 3hye s ILE 113 Ca -0.03 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.28 3hye s ILE 113 Cb -0.07 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.62 3hye s ILE 113 CO 0.00 0.26 0.28 -1.00 0.00 0.00 0.00 174.94 174.48 3hye s HIS 114 N 0.23 3.36 0.38 3.97 3.76 -0.48 -0.85 115.29 125.66 3hye s HIS 114 Ca -0.04 0.01 0.18 0.00 -0.15 0.00 0.00 55.06 55.06 3hye s HIS 114 Cb -0.09 -1.57 1.11 0.00 1.11 0.00 0.00 32.58 33.14 3hye s HIS 114 CO 0.01 0.49 1.72 0.00 -0.85 0.00 0.00 174.74 176.11 3hye h ALA 115 N 1.72 2.18 0.00 -1.40 0.00 -1.63 0.18 119.26 120.32 3hye h ALA 115 Ca -0.50 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hye h ALA 115 Cb 1.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hye h ALA 115 CO 0.64 -0.67 0.00 0.72 0.00 0.00 0.00 179.25 179.94 3hye n HIS 116 N -4.75 0.00 0.00 0.00 8.25 -1.26 -3.55 115.22 113.91 3hye n HIS 116 Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 3hye n HIS 116 Cb 0.95 -0.41 0.00 0.00 1.12 0.00 0.00 29.99 31.65 3hye n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hye n GLY 117 N 0.64 0.75 3.83 -1.41 0.00 0.62 -4.00 105.19 105.62 3hye n GLY 117 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3hye n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hye s SER 118 N -1.97 6.90 0.23 1.61 1.04 -1.25 -4.78 113.70 115.48 3hye s SER 118 Ca 0.00 1.30 0.10 0.00 0.48 0.00 0.00 55.95 57.83 3hye s SER 118 Cb 0.00 -2.38 -0.05 0.00 0.10 0.00 0.00 66.02 63.70 3hye s SER 118 CO 0.00 -0.06 -0.18 0.42 0.98 0.00 0.00 173.24 174.40 3hye s THR 119 N -1.71 2.14 0.04 2.02 -4.23 -1.26 -1.39 115.64 111.25 3hye s THR 119 Ca 0.47 -2.26 -0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3hye s THR 119 Cb -0.14 -2.15 -0.03 0.00 1.34 0.00 0.00 72.50 71.52 3hye s THR 119 CO 0.19 -0.44 -0.04 -1.81 -0.54 0.00 0.00 174.62 171.99 3hye s ASP 120 N -3.29 0.49 -0.01 3.99 1.01 -0.30 -4.97 116.67 113.59 3hye s ASP 120 Ca 0.25 -0.79 0.06 0.00 0.71 0.00 0.00 52.55 52.77 3hye s ASP 120 Cb -0.04 0.14 -0.01 0.00 1.01 0.00 0.00 42.92 44.02 3hye s ASP 120 CO 0.11 -0.46 -0.18 0.54 0.21 0.00 0.00 175.17 175.39 3hye s VAL 121 N -2.85 1.43 0.15 -1.27 0.11 -1.26 -1.74 120.40 114.97 3hye s VAL 121 Ca -0.02 -0.79 -0.24 0.00 -2.93 0.00 0.00 61.98 58.00 3hye s VAL 121 Cb 0.00 -1.19 0.07 0.00 -1.53 0.00 0.00 36.38 33.74 3hye s VAL 121 CO -0.06 0.39 1.03 -0.83 -3.33 0.00 0.00 175.10 172.30 3hye s GLY 122 N -0.46 -0.09 0.12 6.54 0.00 -1.24 -5.03 107.32 107.17 3hye s GLY 122 Ca 0.07 -0.04 0.18 0.00 0.00 0.00 0.00 44.72 44.93 3hye s GLY 122 CO -0.01 1.13 0.93 -0.97 0.00 0.00 0.00 173.10 174.19 3hye h TYR 123 N 2.00 0.00 -3.32 1.90 -1.99 -1.92 -3.43 116.97 110.20 3hye h TYR 123 Ca -0.26 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.27 3hye h TYR 123 Cb 1.22 0.00 -0.28 0.00 2.00 0.00 0.00 36.73 39.68 3hye h TYR 123 CO 0.83 0.41 -0.55 1.52 -0.00 0.00 0.00 178.16 180.37 3hye s TYR 124 N -3.05 -0.18 0.06 4.88 1.13 -1.26 -0.64 117.35 118.30 3hye s TYR 124 Ca -0.02 0.44 -0.10 0.00 -1.41 0.00 0.00 57.07 55.98 3hye s TYR 124 Cb 0.09 0.03 0.01 0.00 -1.10 0.00 0.00 41.96 40.98 3hye s TYR 124 CO 0.80 -0.11 0.22 -0.51 -2.51 0.00 0.00 175.55 173.45 3hye s LEU 125 N 0.36 1.25 -0.08 -3.49 1.43 -0.06 -4.96 118.68 113.13 3hye s LEU 125 Ca -0.02 -0.44 -0.22 0.00 -1.03 0.00 0.00 54.13 52.42 3hye s LEU 125 Cb -0.04 1.11 0.05 0.00 0.03 0.00 0.00 46.19 47.34 3hye s LEU 125 CO -0.01 -0.65 0.51 -0.94 0.23 0.00 0.00 176.35 175.49 3hye s SER 126 N -2.41 -0.47 0.13 2.29 1.04 -1.26 -0.52 113.70 112.50 3hye s SER 126 Ca -0.01 0.60 -0.00 0.00 0.48 0.00 0.00 55.95 57.02 3hye s SER 126 Cb 0.01 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 3hye s SER 126 CO -0.07 -0.43 0.02 -0.76 0.98 0.00 0.00 173.24 172.98 3hye s LEU 127 N -0.82 2.04 0.00 2.42 1.43 -0.50 -4.90 118.68 118.36 3hye s LEU 127 Ca -0.09 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 3hye s LEU 127 Cb -0.03 0.16 0.00 0.00 0.03 0.00 0.00 46.19 46.35 3hye s LEU 127 CO 0.05 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 176.60 3hye n GLY 128 N -0.09 1.29 0.24 -3.19 0.00 -1.26 -2.18 105.19 100.00 3hye n GLY 128 Ca -0.08 -2.08 0.07 0.00 0.00 0.00 0.00 46.02 43.94 3hye n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hye h SER 129 N 0.00 0.00 0.50 1.61 4.64 -1.70 0.55 113.55 119.15 3hye h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hye h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hye h SER 129 CO 0.00 0.11 -0.01 0.61 -0.87 0.00 0.00 176.83 176.67 3hye n GLY 130 N -1.17 -1.24 0.33 -0.77 0.00 0.70 -4.17 105.19 98.87 3hye n GLY 130 Ca -0.03 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.91 3hye n GLY 130 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3hye h SER 131 N 0.03 -0.69 -0.17 1.61 0.87 -1.02 -1.35 113.55 112.83 3hye h SER 131 Ca 0.00 0.27 -0.15 0.00 -1.23 0.00 0.00 61.79 60.68 3hye h SER 131 Cb 0.26 0.52 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 3hye h SER 131 CO 0.00 -0.30 -0.43 -0.07 -0.53 0.00 0.00 176.83 175.49 3hye h LEU 132 N 0.02 0.77 -0.37 2.23 4.07 -1.79 0.59 115.31 120.83 3hye h LEU 132 Ca 0.48 -0.36 -0.07 0.00 0.08 0.00 0.00 57.88 58.01 3hye h LEU 132 Cb 0.83 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 42.34 3hye h LEU 132 CO -0.91 1.10 -0.04 0.00 -1.08 0.00 0.00 178.44 177.51 3hye h ALA 133 N 0.93 0.50 0.11 1.53 0.00 -1.65 -1.89 119.26 118.79 3hye h ALA 133 Ca 0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3hye h ALA 133 Cb 0.98 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3hye h ALA 133 CO 0.09 0.30 -0.05 0.00 0.00 0.00 0.00 179.25 179.59 3hye h ALA 134 N 0.85 -0.14 -0.13 0.00 0.00 -1.19 -2.81 119.26 115.84 3hye h ALA 134 Ca 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hye h ALA 134 Cb 0.52 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3hye h ALA 134 CO 0.03 -0.54 0.03 1.98 0.00 0.00 0.00 179.25 180.75 3hye h MET 135 N -0.23 0.18 -0.75 0.00 -1.53 -0.87 -1.33 114.93 110.41 3hye h MET 135 Ca -0.01 -0.02 -0.03 0.00 -3.44 0.00 0.00 59.70 56.20 3hye h MET 135 Cb 0.18 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.16 3hye h MET 135 CO 0.02 0.17 0.35 0.00 0.14 0.00 0.00 176.91 177.59 3hye h ALA 136 N 1.86 1.19 -0.15 0.39 0.00 -1.08 0.12 119.26 121.59 3hye h ALA 136 Ca 0.05 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3hye h ALA 136 Cb 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3hye h ALA 136 CO -0.00 0.61 -0.38 0.28 0.00 0.00 0.00 179.25 179.75 3hye h VAL 137 N 1.07 1.36 -0.56 0.00 2.07 -1.15 -2.68 116.25 116.37 3hye h VAL 137 Ca 0.26 -1.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.11 3hye h VAL 137 Cb 0.13 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 3hye h VAL 137 CO -0.03 0.50 0.31 -0.07 0.02 0.00 0.00 177.57 178.30 3hye h LEU 138 N 0.14 0.69 -1.68 2.57 3.38 -1.01 0.41 115.31 119.81 3hye h LEU 138 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3hye h LEU 138 Cb 0.99 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3hye h LEU 138 CO 0.08 0.58 0.00 -0.33 0.09 0.00 0.00 178.44 178.86 3hye h GLU 139 N 0.75 0.00 0.00 1.13 4.39 -0.79 -0.79 114.58 119.27 3hye h GLU 139 Ca 0.20 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 3hye h GLU 139 Cb 0.04 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3hye h GLU 139 CO -0.03 0.00 -1.68 0.43 -1.16 0.00 0.00 179.01 176.57 3hye n SER 140 N -2.92 0.35 0.00 1.42 7.64 -0.55 -4.66 113.62 114.89 3hye n SER 140 Ca -0.00 0.14 0.00 0.00 1.01 0.00 0.00 58.87 60.02 3hye n SER 140 Cb 0.23 1.22 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 3hye n SER 140 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3hye n HIS 141 N -2.51 0.00 -1.58 1.43 8.25 0.02 -5.06 115.22 115.78 3hye n HIS 141 Ca -0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.06 3hye n HIS 141 Cb 0.66 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.84 3hye n HIS 141 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 3hye s TRP 142 N -0.82 2.32 0.02 4.41 -0.00 -0.32 -5.03 118.94 119.52 3hye s TRP 142 Ca 0.00 1.58 -0.28 0.00 -0.00 0.00 0.00 56.10 57.40 3hye s TRP 142 Cb 0.00 -3.32 0.08 0.00 -0.00 0.00 0.00 33.47 30.23 3hye s TRP 142 CO 0.00 -2.16 0.70 -1.59 -0.00 0.00 0.00 176.95 173.90 3hye s LYS 143 N -4.01 1.07 0.48 5.86 -2.85 -1.26 -5.01 119.74 114.02 3hye s LYS 143 Ca 0.70 -0.07 -0.20 0.00 -1.00 0.00 0.00 55.97 55.40 3hye s LYS 143 Cb -0.25 0.50 -0.08 0.00 -2.06 0.00 0.00 37.83 35.94 3hye s LYS 143 CO 0.44 -0.40 1.05 -1.14 0.10 0.00 0.00 175.35 175.39 3hye s GLN 144 N -2.31 3.79 -0.64 1.78 0.74 -1.26 -4.13 119.66 117.63 3hye s GLN 144 Ca -0.04 1.39 -0.02 0.00 0.05 0.00 0.00 55.36 56.74 3hye s GLN 144 Cb -0.01 -2.12 -0.02 0.00 1.10 0.00 0.00 33.01 31.96 3hye s GLN 144 CO -0.01 -0.44 0.55 -0.25 -0.55 0.00 0.00 175.29 174.58 3hye n ASP 145 N -0.92 -3.39 -4.86 6.67 10.43 -1.26 -5.02 116.55 118.19 3hye n ASP 145 Ca 0.09 -0.38 -0.31 0.00 2.57 0.00 0.00 54.79 56.76 3hye n ASP 145 Cb 0.52 -3.16 -0.05 0.00 1.84 0.00 0.00 41.12 40.27 3hye n ASP 145 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3hye s LEU 146 N -4.42 3.94 0.56 0.64 1.43 -1.26 -4.81 118.68 114.76 3hye s LEU 146 Ca 0.14 1.24 -0.04 0.00 -1.03 0.00 0.00 54.13 54.44 3hye s LEU 146 Cb -0.02 -4.09 0.01 0.00 0.03 0.00 0.00 46.19 42.13 3hye s LEU 146 CO 0.42 -0.31 0.84 0.42 0.23 0.00 0.00 176.35 177.95 3hye s THR 147 N -2.19 3.54 0.14 5.49 -4.23 -1.26 -0.62 115.64 116.50 3hye s THR 147 Ca 0.53 -0.21 -0.27 0.00 -1.18 0.00 0.00 61.69 60.56 3hye s THR 147 Cb -0.10 -3.38 -0.03 0.00 1.34 0.00 0.00 72.50 70.33 3hye s THR 147 CO 0.24 -0.35 1.60 0.50 -0.54 0.00 0.00 174.62 176.07 3hye h LYS 148 N -0.04 -0.41 -0.93 3.99 3.64 -1.97 0.34 116.57 121.18 3hye h LYS 148 Ca -0.45 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.06 3hye h LYS 148 Cb 1.26 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 33.11 3hye h LYS 148 CO 0.59 -0.28 0.60 0.93 -2.27 0.00 0.00 179.45 179.02 3hye h GLU 149 N -0.43 0.89 -0.36 1.90 3.07 -2.00 -0.47 114.58 117.19 3hye h GLU 149 Ca 0.09 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.84 3hye h GLU 149 Cb 0.58 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3hye h GLU 149 CO -0.38 0.59 0.01 0.93 -1.40 0.00 0.00 179.01 178.76 3hye h GLU 150 N 0.92 0.63 -0.07 2.33 5.08 -1.70 -2.38 114.58 119.39 3hye h GLU 150 Ca 0.44 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3hye h GLU 150 Cb 0.44 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3hye h GLU 150 CO -0.20 0.73 0.00 0.00 -1.00 0.00 0.00 179.01 178.55 3hye h ALA 151 N 0.87 0.06 -0.73 3.43 0.00 0.30 0.11 119.26 123.31 3hye h ALA 151 Ca 0.10 0.02 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3hye h ALA 151 Cb 0.44 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 3hye h ALA 151 CO 0.02 -0.47 0.37 0.82 0.00 0.00 0.00 179.25 179.99 3hye h ILE 152 N 0.03 0.85 0.07 0.00 5.03 -1.09 0.19 117.51 122.60 3hye h ILE 152 Ca 0.03 -0.21 -0.00 0.00 -0.12 0.00 0.00 64.86 64.56 3hye h ILE 152 Cb 0.04 0.17 0.00 0.00 -3.03 0.00 0.00 36.82 34.00 3hye h ILE 152 CO -0.06 0.11 -0.04 0.50 -0.68 0.00 0.00 178.15 177.99 3hye h LYS 153 N 0.62 -0.10 0.04 2.37 3.11 -0.86 0.20 116.57 121.95 3hye h LYS 153 Ca 0.36 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.22 3hye h LYS 153 Cb 0.38 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.61 3hye h LYS 153 CO -0.27 0.04 -0.11 1.25 -2.81 0.00 0.00 179.45 177.54 3hye h LEU 154 N -0.21 -0.31 -0.04 5.20 5.85 -0.29 0.13 115.31 125.65 3hye h LEU 154 Ca -0.01 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3hye h LEU 154 Cb 0.18 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3hye h LEU 154 CO 0.02 -0.16 -0.06 0.00 -0.34 0.00 0.00 178.44 177.89 3hye h ALA 155 N 0.73 -0.03 -0.98 1.25 0.00 -0.89 -0.30 119.26 119.05 3hye h ALA 155 Ca 0.03 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3hye h ALA 155 Cb 0.24 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3hye h ALA 155 CO -0.09 -0.54 0.63 1.03 0.00 0.00 0.00 179.25 180.28 3hye h SER 156 N -0.09 1.01 0.05 0.00 0.87 -0.35 -1.25 113.55 113.80 3hye h SER 156 Ca 0.04 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.49 3hye h SER 156 Cb 0.14 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3hye h SER 156 CO -0.09 0.66 -0.38 0.44 -0.53 0.00 0.00 176.83 176.93 3hye h ASP 157 N 1.16 0.45 -0.46 6.23 3.45 -0.31 -2.40 116.42 124.54 3hye h ASP 157 Ca 0.42 -0.19 -0.03 0.00 0.43 0.00 0.00 57.03 57.66 3hye h ASP 157 Cb 0.14 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.76 3hye h ASP 157 CO -0.16 0.79 0.16 0.00 -1.57 0.00 0.00 179.24 178.45 3hye h ALA 158 N 1.24 0.60 -0.78 3.45 0.00 0.07 -1.46 119.26 122.37 3hye h ALA 158 Ca 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3hye h ALA 158 Cb 0.83 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3hye h ALA 158 CO 0.07 0.23 0.33 0.82 0.00 0.00 0.00 179.25 180.69 3hye h ILE 159 N 0.60 1.26 -0.76 0.00 1.08 -1.21 -2.48 117.51 116.00 3hye h ILE 159 Ca 0.15 -0.79 0.02 0.00 -0.39 0.00 0.00 64.86 63.85 3hye h ILE 159 Cb 0.23 0.32 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 3hye h ILE 159 CO -0.01 0.32 0.50 1.56 -0.69 0.00 0.00 178.15 179.83 3hye h GLN 160 N 1.12 0.97 -0.91 2.37 4.20 -1.07 0.21 115.11 122.01 3hye h GLN 160 Ca 0.26 -0.06 0.16 0.00 0.06 0.00 0.00 58.65 59.07 3hye h GLN 160 Cb 0.19 -0.22 -0.10 0.00 0.30 0.00 0.00 27.48 27.66 3hye h GLN 160 CO -0.02 0.64 0.51 0.00 -0.67 0.00 0.00 178.83 179.28 3hye h ALA 161 N 1.30 1.41 -0.11 3.87 0.00 -0.82 -0.94 119.26 123.99 3hye h ALA 161 Ca 0.29 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 3hye h ALA 161 Cb -0.07 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hye h ALA 161 CO -0.08 -0.04 -0.13 0.78 0.00 0.00 0.00 179.25 179.78 3hye h GLY 162 N 0.70 0.30 0.35 0.00 0.00 -0.78 -0.64 103.07 103.00 3hye h GLY 162 Ca 0.50 -0.32 0.05 0.00 0.00 0.00 0.00 47.33 47.57 3hye h GLY 162 CO -0.36 0.29 -0.15 -2.22 0.00 0.00 0.00 176.54 174.10 3hye h ILE 163 N -0.14 0.57 -0.13 2.60 5.03 0.30 0.16 117.51 125.90 3hye h ILE 163 Ca 0.01 0.00 -0.12 0.00 -0.12 0.00 0.00 64.86 64.64 3hye h ILE 163 Cb 0.67 0.57 0.00 0.00 -3.03 0.00 0.00 36.82 35.03 3hye h ILE 163 CO 0.03 0.00 -0.37 -0.50 -0.68 0.00 0.00 178.15 176.63 3hye h TRP 164 N -0.14 0.62 0.00 1.37 -0.00 -1.28 -3.37 115.95 113.15 3hye h TRP 164 Ca 0.13 -0.25 0.00 0.00 -0.00 0.00 0.00 58.89 58.77 3hye h TRP 164 Cb 0.33 -0.11 0.00 0.00 -0.00 0.00 0.00 29.16 29.39 3hye h TRP 164 CO -0.31 0.99 -1.18 0.09 -0.00 0.00 0.00 178.44 178.02 3hye n ASN 165 N -4.33 0.64 -4.52 -3.49 4.13 -0.25 -4.87 115.26 102.57 3hye n ASN 165 Ca -0.07 0.18 -0.35 0.00 1.68 0.00 0.00 54.58 56.02 3hye n ASN 165 Cb 0.52 0.79 -0.11 0.00 -1.54 0.00 0.00 39.78 39.43 3hye n ASN 165 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hye s ASP 166 N -4.93 5.14 0.53 6.41 2.15 0.57 -4.96 116.67 121.57 3hye s ASP 166 Ca -0.01 -0.09 0.34 0.00 0.43 0.00 0.00 52.55 53.22 3hye s ASP 166 Cb 0.11 -1.87 1.46 0.00 -0.30 0.00 0.00 42.92 42.32 3hye s ASP 166 CO 0.81 0.12 2.00 -0.07 -0.17 0.00 0.00 175.17 177.86 3hye h LEU 167 N 7.11 0.00 -0.07 -1.34 3.38 -1.87 -2.10 115.31 120.41 3hye h LEU 167 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3hye h LEU 167 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3hye h LEU 167 CO 0.64 0.00 -0.07 0.61 0.09 0.00 0.00 178.44 179.71 3hye n GLY 168 N -0.14 -1.22 3.29 0.83 0.00 -1.26 -4.84 105.19 101.85 3hye n GLY 168 Ca 0.00 -0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.64 3hye n GLY 168 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hye s SER 169 N -2.66 2.33 0.00 1.61 0.01 -0.79 -1.24 113.70 112.96 3hye s SER 169 Ca 0.24 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.64 3hye s SER 169 Cb 0.20 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.32 3hye s SER 169 CO 0.50 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.65 3hye n GLY 170 N 0.32 -1.26 7.00 3.44 0.00 -1.26 -4.57 105.19 108.85 3hye n GLY 170 Ca -0.14 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3hye n GLY 170 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hye n SER 171 N 0.44 0.00 -4.95 1.61 7.64 -1.26 -2.79 113.62 114.31 3hye n SER 171 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 3hye n SER 171 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 3hye n SER 171 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3hye s ASN 172 N -4.00 4.79 -0.17 6.43 0.02 -1.26 -4.28 114.94 116.47 3hye s ASN 172 Ca 0.00 -1.11 0.01 0.00 -1.02 0.00 0.00 52.86 50.74 3hye s ASN 172 Cb 0.00 0.38 0.02 0.00 0.02 0.00 0.00 41.25 41.67 3hye s ASN 172 CO 0.00 -1.19 -0.20 -0.69 0.02 0.00 0.00 177.10 175.04 3hye s VAL 173 N -2.74 2.02 -0.05 1.60 1.01 -0.61 -2.46 120.40 119.17 3hye s VAL 173 Ca 0.43 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 3hye s VAL 173 Cb -0.03 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 3hye s VAL 173 CO 0.27 0.53 0.04 -1.81 0.00 0.00 0.00 175.10 174.14 3hye s ASP 174 N 1.21 5.48 0.06 3.32 1.01 -0.12 -0.02 116.67 127.62 3hye s ASP 174 Ca 0.03 0.15 0.01 0.00 0.71 0.00 0.00 52.55 53.45 3hye s ASP 174 Cb -0.13 -1.56 -0.03 0.00 1.01 0.00 0.00 42.92 42.20 3hye s ASP 174 CO -0.11 0.33 -0.06 -0.69 0.21 0.00 0.00 175.17 174.85 3hye s VAL 175 N -1.04 0.53 -0.10 -1.27 1.01 -0.56 -1.44 120.40 117.53 3hye s VAL 175 Ca 0.18 -1.48 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 3hye s VAL 175 Cb -0.12 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.22 3hye s VAL 175 CO 0.08 -0.65 0.22 0.00 0.00 0.00 0.00 175.10 174.75 3hye s VAL 177 N 1.81 3.92 -0.29 0.00 1.01 0.20 -1.75 120.40 125.30 3hye s VAL 177 Ca -0.04 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.63 3hye s VAL 177 Cb -0.11 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.62 3hye s VAL 177 CO -0.08 0.48 -0.03 -0.04 0.00 0.00 0.00 175.10 175.43 3hye s MET 178 N 0.47 1.81 -0.11 2.72 -1.94 -0.00 -0.30 119.30 121.96 3hye s MET 178 Ca -0.03 -1.50 -0.04 0.00 -1.71 0.00 0.00 55.69 52.40 3hye s MET 178 Cb -0.14 -2.94 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 3hye s MET 178 CO 0.03 -0.73 0.05 -2.00 -0.01 0.00 0.00 175.02 172.35 3hye s GLU 179 N 1.08 3.26 0.42 2.03 2.12 -1.26 -1.03 118.70 125.31 3hye s GLU 179 Ca -0.00 -0.32 0.26 0.00 0.36 0.00 0.00 54.97 55.28 3hye s GLU 179 Cb -0.19 -2.97 1.35 0.00 0.26 0.00 0.00 34.13 32.58 3hye s GLU 179 CO -0.07 0.66 1.64 0.82 -0.54 0.00 0.00 175.26 177.77 3hye h ILE 180 N 4.22 0.17 -0.09 -3.70 2.04 -1.36 -2.20 117.51 116.58 3hye h ILE 180 Ca -0.50 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.32 3hye h ILE 180 Cb 1.20 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 3hye h ILE 180 CO 0.58 0.02 0.00 0.61 0.00 0.00 0.00 178.15 179.36 3hye n GLY 181 N -1.47 0.42 3.64 5.37 0.00 -1.26 -4.95 105.19 106.94 3hye n GLY 181 Ca 0.35 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3hye n GLY 181 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hye n LYS 182 N 0.56 0.73 -2.17 1.61 5.02 -0.83 -5.12 118.16 117.96 3hye n LYS 182 Ca 0.07 -3.72 -0.34 0.00 -2.02 0.00 0.00 58.31 52.31 3hye n LYS 182 Cb 0.30 1.14 0.01 0.00 -0.02 0.00 0.00 35.03 36.46 3hye n LYS 182 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hye s ASP 183 N -3.79 5.75 0.23 4.39 -0.00 -1.26 -4.60 116.67 117.40 3hye s ASP 183 Ca 0.03 1.99 -0.30 0.00 -0.00 0.00 0.00 52.55 54.28 3hye s ASP 183 Cb 0.00 -2.56 -0.09 0.00 -0.00 0.00 0.00 42.92 40.28 3hye s ASP 183 CO 0.02 -1.19 1.10 0.00 -0.00 0.00 0.00 175.17 175.10 3hye s ALA 184 N -2.11 3.39 -0.21 5.23 0.00 -1.26 -4.58 121.76 122.22 3hye s ALA 184 Ca 0.68 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 53.49 3hye s ALA 184 Cb -0.19 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3hye s ALA 184 CO 0.31 -0.17 -0.12 -1.83 0.00 0.00 0.00 175.76 173.95 3hye s GLU 185 N -0.96 3.03 -0.31 0.00 -1.05 0.59 -4.96 118.70 115.03 3hye s GLU 185 Ca 0.47 -0.83 -0.18 0.00 -0.15 0.00 0.00 54.97 54.27 3hye s GLU 185 Cb -0.31 -2.81 -0.01 0.00 -0.44 0.00 0.00 34.13 30.56 3hye s GLU 185 CO 0.38 -0.27 0.54 -0.47 0.95 0.00 0.00 175.26 176.39 3hye s TYR 186 N 1.34 3.21 -0.87 4.83 5.04 -1.26 -0.63 117.35 129.02 3hye s TYR 186 Ca 0.03 0.42 -0.06 0.00 -2.44 0.00 0.00 57.07 55.02 3hye s TYR 186 Cb -0.15 -2.88 0.22 0.00 0.35 0.00 0.00 41.96 39.50 3hye s TYR 186 CO -0.08 -0.44 0.77 -0.51 -1.34 0.00 0.00 175.55 173.95 3hye s LEU 187 N 2.43 5.90 0.06 6.97 1.43 0.19 -4.99 118.68 130.67 3hye s LEU 187 Ca 0.21 -3.29 -0.31 0.00 -1.03 0.00 0.00 54.13 49.71 3hye s LEU 187 Cb -0.15 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 43.98 3hye s LEU 187 CO 0.12 -0.33 1.44 -0.60 0.23 0.00 0.00 176.35 177.21 3hye s ARG 189 N -0.74 4.28 -1.25 1.70 6.06 -1.26 -1.49 118.95 126.25 3hye s ARG 189 Ca 0.24 2.08 -0.00 0.00 -2.50 0.00 0.00 55.73 55.54 3hye s ARG 189 Cb -0.11 -3.43 0.00 0.00 0.06 0.00 0.00 34.95 31.47 3hye s ARG 189 CO -0.09 -0.54 0.88 0.09 -2.50 0.00 0.00 175.30 173.15 3hye n ASN 190 N 4.77 -1.85 0.24 -2.12 4.13 -1.24 -4.85 115.26 114.35 3hye n ASN 190 Ca 0.13 -0.70 0.14 0.00 1.68 0.00 0.00 54.58 55.83 3hye n ASN 190 Cb 0.42 -4.68 0.81 0.00 -1.54 0.00 0.00 39.78 34.80 3hye n ASN 190 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 3hye h TYR 191 N -1.91 0.00 -3.77 3.10 5.03 -0.33 -3.41 116.97 115.69 3hye h TYR 191 Ca -0.60 0.00 -0.26 0.00 2.58 0.00 0.00 58.73 60.46 3hye h TYR 191 Cb 1.35 0.00 -0.28 0.00 1.55 0.00 0.00 36.73 39.35 3hye h TYR 191 CO 0.45 0.00 -0.73 -0.51 -1.32 0.00 0.00 178.16 176.05 3hye s LEU 192 N -8.06 1.98 -0.41 2.82 1.43 -0.97 -4.99 118.68 110.48 3hye s LEU 192 Ca -0.05 -0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.11 3hye s LEU 192 Cb 0.16 -0.07 0.27 0.00 0.03 0.00 0.00 46.19 46.58 3hye s LEU 192 CO 0.59 0.01 0.59 0.35 0.23 0.00 0.00 176.35 178.12 3hye n THR 193 N 3.07 -0.32 1.96 5.49 -2.24 -1.26 -1.57 114.28 119.41 3hye n THR 193 Ca -0.13 -4.24 0.02 0.00 -2.27 0.00 0.00 64.05 57.44 3hye n THR 193 Cb 0.59 -1.60 0.13 0.00 -2.10 0.00 0.00 70.33 67.35 3hye n THR 193 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3hye n PRO 194 N 1.11 0.98 -2.67 -0.78 -0.04 -1.26 -4.20 135.00 128.14 3hye n PRO 194 Ca 0.23 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.49 3hye n PRO 194 Cb 0.55 -1.07 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 3hye n PRO 194 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hye n ASN 195 N -0.57 3.07 -4.73 3.54 3.02 -1.26 -5.08 115.26 113.24 3hye n ASN 195 Ca 0.03 -3.27 -0.41 0.00 -0.03 0.00 0.00 54.58 50.91 3hye n ASN 195 Cb 0.01 -0.51 -0.05 0.00 -0.61 0.00 0.00 39.78 38.63 3hye n ASN 195 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3hye s VAL 196 N -4.20 4.35 0.15 2.41 1.01 -1.26 -4.96 120.40 117.90 3hye s VAL 196 Ca 0.39 2.01 -0.31 0.00 0.00 0.00 0.00 61.98 64.08 3hye s VAL 196 Cb 0.40 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.42 3hye s VAL 196 CO -0.09 0.34 1.36 -0.60 0.00 0.00 0.00 175.10 176.11 3hye s ARG 197 N -0.21 4.35 0.83 2.72 3.00 -1.26 -5.00 118.95 123.38 3hye s ARG 197 Ca 0.47 2.07 -0.11 0.00 -1.00 0.00 0.00 55.73 57.16 3hye s ARG 197 Cb -0.25 -3.23 0.09 0.00 0.00 0.00 0.00 34.95 31.57 3hye s ARG 197 CO 0.31 -0.37 1.12 -1.83 0.00 0.00 0.00 175.30 174.53 3hye s GLU 198 N 0.62 1.75 0.36 5.12 -1.05 -1.26 -4.92 118.70 119.32 3hye s GLU 198 Ca 0.61 1.36 -0.28 0.00 -0.15 0.00 0.00 54.97 56.51 3hye s GLU 198 Cb -0.37 -1.83 -0.11 0.00 -0.44 0.00 0.00 34.13 31.39 3hye s GLU 198 CO 0.33 -2.05 1.47 -2.00 0.95 0.00 0.00 175.26 173.96 3hye s GLU 199 N -4.73 4.15 0.69 -4.83 2.12 -1.26 -4.94 118.70 109.89 3hye s GLU 199 Ca 0.64 2.52 -0.15 0.00 0.36 0.00 0.00 54.97 58.34 3hye s GLU 199 Cb -0.20 -2.99 0.02 0.00 0.26 0.00 0.00 34.13 31.22 3hye s GLU 199 CO 0.56 -0.49 1.15 0.15 -0.54 0.00 0.00 175.26 176.09 3hye s LYS 200 N -1.86 2.49 0.54 4.30 1.02 -1.26 -4.91 119.74 120.07 3hye s LYS 200 Ca 0.53 1.56 0.33 0.00 0.02 0.00 0.00 55.97 58.41 3hye s LYS 200 Cb -0.46 -1.90 1.32 0.00 -0.52 0.00 0.00 37.83 36.28 3hye s LYS 200 CO 0.60 -1.52 1.96 0.37 -0.92 0.00 0.00 175.35 175.84 3hye h GLN 201 N -0.13 0.00 -3.26 1.68 5.75 -2.05 -3.46 115.11 113.64 3hye h GLN 201 Ca -0.47 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.00 3hye h GLN 201 Cb 1.27 0.00 -0.11 0.00 1.07 0.00 0.00 27.48 29.71 3hye h GLN 201 CO 0.52 0.00 0.04 0.21 -2.65 0.00 0.00 178.83 176.95 3hye s LYS 202 N -3.64 1.31 -0.15 1.69 2.20 -1.26 -5.15 119.74 114.74 3hye s LYS 202 Ca 0.01 -0.77 -0.06 0.00 -0.36 0.00 0.00 55.97 54.80 3hye s LYS 202 Cb 0.09 0.52 -0.04 0.00 -1.51 0.00 0.00 37.83 36.89 3hye s LYS 202 CO 0.55 -0.55 0.07 0.45 -0.36 0.00 0.00 175.35 175.51 3hye s SER 203 N -2.84 5.76 -0.12 1.43 0.15 -1.26 -4.98 113.70 111.84 3hye s SER 203 Ca 0.06 0.19 0.17 0.00 0.70 0.00 0.00 55.95 57.07 3hye s SER 203 Cb -0.01 -1.90 0.63 0.00 -1.71 0.00 0.00 66.02 63.04 3hye s SER 203 CO -0.06 0.27 1.55 -1.22 1.20 0.00 0.00 173.24 174.98 3hye n TYR 204 N 2.90 1.29 -1.68 3.44 4.01 -1.26 -4.96 117.16 120.89 3hye n TYR 204 Ca -0.18 -0.65 -0.46 0.00 -0.16 0.00 0.00 57.90 56.45 3hye n TYR 204 Cb 0.53 -0.25 -0.04 0.00 -0.31 0.00 0.00 39.34 39.27 3hye n TYR 204 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3hye n LYS 205 N 0.69 2.27 -3.42 -0.72 4.81 -1.26 -4.94 118.16 115.59 3hye n LYS 205 Ca 0.23 0.82 -0.34 0.00 -0.87 0.00 0.00 58.31 58.15 3hye n LYS 205 Cb 0.85 -2.62 -0.06 0.00 0.02 0.00 0.00 35.03 33.22 3hye n LYS 205 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 3hye s PHE 206 N 1.70 3.54 0.13 5.64 0.08 -1.26 -5.04 117.98 122.77 3hye s PHE 206 Ca 0.81 0.95 -0.31 0.00 0.12 0.00 0.00 56.93 58.51 3hye s PHE 206 Cb -0.65 -2.29 -0.07 0.00 -0.57 0.00 0.00 43.02 39.43 3hye s PHE 206 CO 0.40 0.39 1.28 -1.25 -0.10 0.00 0.00 175.22 175.94 3hye s PRO 207 N -2.24 4.40 0.36 0.24 0.04 -1.26 -4.92 135.00 131.62 3hye s PRO 207 Ca 0.40 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 63.12 3hye s PRO 207 Cb -0.14 -3.26 -0.12 0.00 0.04 0.00 0.00 34.50 31.02 3hye s PRO 207 CO 0.20 -0.28 1.10 0.54 0.04 0.00 0.00 177.00 178.60 3hye n ARG 208 N 3.39 1.59 -0.11 4.56 1.74 -1.26 -2.06 116.66 124.51 3hye n ARG 208 Ca 0.08 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 3hye n ARG 208 Cb 0.44 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 3hye n ARG 208 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hye n GLY 209 N 1.06 0.66 0.30 -0.13 0.00 -1.26 -4.94 105.19 100.87 3hye n GLY 209 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.14 3hye n GLY 209 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hye h THR 210 N 0.00 1.10 -3.41 2.61 2.02 -1.79 -3.42 112.91 110.02 3hye h THR 210 Ca 0.00 -0.24 -0.59 0.00 0.77 0.00 0.00 66.41 66.35 3hye h THR 210 Cb 0.00 0.62 -0.09 0.00 -1.74 0.00 0.00 68.15 66.94 3hye h THR 210 CO 0.00 0.11 0.01 -0.89 0.37 0.00 0.00 175.52 175.12 3hye s THR 211 N -5.37 5.09 -0.07 3.16 2.01 -1.26 -5.04 115.64 114.15 3hye s THR 211 Ca -0.08 1.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 3hye s THR 211 Cb 0.17 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3hye s THR 211 CO 0.73 0.19 1.41 0.00 -0.69 0.00 0.00 174.62 176.25 3hye s ALA 212 N 1.45 3.61 -0.11 7.40 0.00 -1.26 -5.01 121.76 127.83 3hye s ALA 212 Ca 0.27 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 52.96 3hye s ALA 212 Cb -0.16 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.30 3hye s ALA 212 CO 0.11 -1.11 -0.06 0.08 0.00 0.00 0.00 175.76 174.78 3hye s VAL 213 N 3.14 3.76 -0.20 0.00 1.01 -1.26 -5.03 120.40 121.82 3hye s VAL 213 Ca 0.63 -0.43 -0.13 0.00 0.00 0.00 0.00 61.98 62.05 3hye s VAL 213 Cb -0.28 -2.59 -0.20 0.00 0.00 0.00 0.00 36.38 33.30 3hye s VAL 213 CO 0.23 0.55 0.13 0.18 0.00 0.00 0.00 175.10 176.19 3hye n LEU 214 N 2.91 2.25 -3.82 3.92 4.77 -1.26 -5.02 117.00 120.76 3hye n LEU 214 Ca -0.18 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 3hye n LEU 214 Cb 0.53 -0.99 -0.09 0.00 -2.33 0.00 0.00 43.42 40.54 3hye n LEU 214 CO 0.30 0.59 -0.08 -0.75 -1.33 0.00 0.00 177.39 176.12 3hye s LYS 215 N -2.47 0.63 0.02 3.23 2.20 -1.26 -5.17 119.74 116.92 3hye s LYS 215 Ca -0.29 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 3hye s LYS 215 Cb 0.08 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 3hye s LYS 215 CO 0.64 -0.17 -0.03 -2.00 -0.36 0.00 0.00 175.35 173.42 3hye s GLU 216 N -1.85 0.31 -0.00 4.03 2.12 -1.26 -5.16 118.70 116.88 3hye s GLU 216 Ca -0.10 -0.57 -0.28 0.00 0.36 0.00 0.00 54.97 54.38 3hye s GLU 216 Cb -0.04 0.05 0.10 0.00 0.26 0.00 0.00 34.13 34.49 3hye s GLU 216 CO 0.00 -0.03 0.83 -1.54 -0.54 0.00 0.00 175.26 173.98 3hye s SER 217 N -1.32 -0.43 0.07 -1.70 1.04 -1.26 -5.15 113.70 104.94 3hye s SER 217 Ca -0.14 0.14 -0.20 0.00 0.48 0.00 0.00 55.95 56.23 3hye s SER 217 Cb -0.09 0.43 -0.07 0.00 0.10 0.00 0.00 66.02 66.39 3hye s SER 217 CO -0.01 -0.64 0.58 -0.63 0.98 0.00 0.00 173.24 173.52 3hye s ILE 218 N -2.73 4.74 -0.18 -1.02 -1.09 -1.26 -5.06 121.20 114.61 3hye s ILE 218 Ca 0.02 1.24 -0.10 0.00 -2.23 0.00 0.00 60.65 59.58 3hye s ILE 218 Cb -0.01 -3.91 -0.05 0.00 -1.58 0.00 0.00 42.46 36.91 3hye s ILE 218 CO -0.06 0.54 0.16 -0.69 -1.23 0.00 0.00 174.94 173.66 3hye s VAL 219 N -0.99 5.40 -0.27 2.92 1.01 -1.26 -5.06 120.40 122.15 3hye s VAL 219 Ca 0.30 0.27 -0.26 0.00 0.00 0.00 0.00 61.98 62.28 3hye s VAL 219 Cb -0.19 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.70 3hye s VAL 219 CO 0.19 0.46 0.93 0.21 0.00 0.00 0.00 175.10 176.89 3hye s ASN 220 N 0.13 6.88 -0.21 3.32 2.47 -1.26 -4.89 114.94 121.37 3hye s ASN 220 Ca 0.11 1.03 0.07 0.00 0.42 0.00 0.00 52.86 54.49 3hye s ASN 220 Cb -0.12 -2.48 -0.18 0.00 -1.45 0.00 0.00 41.25 37.03 3hye s ASN 220 CO 0.00 -0.66 -0.10 -0.38 -3.72 0.00 0.00 177.10 172.24 3hye n ILE 221 N 5.49 1.27 -2.51 -5.21 2.08 -1.26 -4.98 119.36 114.23 3hye n ILE 221 Ca 0.08 -0.60 -0.41 0.00 0.56 0.00 0.00 62.75 62.38 3hye n ILE 221 Cb 0.47 -0.99 -0.04 0.00 -0.75 0.00 0.00 39.64 38.33 3hye n ILE 221 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11