#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye s SER 2 N 0.00 1.71 0.02 8.00 0.01 -1.26 -0.87 113.70 121.31 3hye s SER 2 Ca 0.00 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.03 3hye s SER 2 Cb 0.00 -0.22 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 3hye s SER 2 CO 0.00 -0.29 -0.03 0.27 0.41 0.00 0.00 173.24 173.60 3hye s ILE 3 N 2.13 0.14 0.08 1.44 -4.36 -0.60 -1.38 121.20 118.65 3hye s ILE 3 Ca 0.04 -0.90 -0.24 0.00 -0.26 0.00 0.00 60.65 59.29 3hye s ILE 3 Cb -0.14 -0.28 0.06 0.00 1.25 0.00 0.00 42.46 43.36 3hye s ILE 3 CO -0.06 -0.48 0.58 0.00 0.24 0.00 0.00 174.94 175.23 3hye s MET 4 N -1.43 1.14 -0.03 0.37 0.23 -0.45 -0.64 119.30 118.50 3hye s MET 4 Ca -0.15 -0.24 0.02 0.00 -1.03 0.00 0.00 55.69 54.28 3hye s MET 4 Cb -0.10 0.53 0.01 0.00 -1.53 0.00 0.00 34.83 33.74 3hye s MET 4 CO -0.01 -0.44 -0.06 0.00 -2.03 0.00 0.00 175.02 172.48 3hye s ALA 5 N -2.77 0.70 -0.08 3.16 0.00 -0.35 -0.40 121.76 122.03 3hye s ALA 5 Ca -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.75 3hye s ALA 5 Cb -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.81 3hye s ALA 5 CO -0.04 0.07 -0.06 0.08 0.00 0.00 0.00 175.76 175.81 3hye s VAL 6 N 0.47 0.75 0.28 0.00 1.01 0.46 -0.88 120.40 122.49 3hye s VAL 6 Ca -0.07 -0.17 -0.19 0.00 0.00 0.00 0.00 61.98 61.55 3hye s VAL 6 Cb -0.10 -0.79 -0.09 0.00 0.00 0.00 0.00 36.38 35.40 3hye s VAL 6 CO 0.00 0.30 0.77 0.42 0.00 0.00 0.00 175.10 176.60 3hye s THR 7 N 1.41 4.54 0.27 3.92 -4.23 -0.50 -0.66 115.64 120.39 3hye s THR 7 Ca -0.02 1.27 -0.00 0.00 -1.18 0.00 0.00 61.69 61.75 3hye s THR 7 Cb -0.13 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.93 3hye s THR 7 CO -0.03 0.04 0.35 2.22 -0.54 0.00 0.00 174.62 176.65 3hye n PHE 8 N 0.26 -1.12 -0.38 3.99 1.16 -0.06 -4.63 117.46 116.68 3hye n PHE 8 Ca 0.01 -1.88 -0.02 0.00 -1.87 0.00 0.00 57.45 53.69 3hye n PHE 8 Cb 0.52 0.40 0.03 0.00 -1.61 0.00 0.00 39.48 38.81 3hye n PHE 8 CO 0.00 0.00 0.00 -0.22 -1.87 0.00 0.00 176.76 174.67 3hye h LYS 9 N 0.00 -0.01 -0.09 3.97 3.64 -1.36 -2.20 116.57 120.52 3hye h LYS 9 Ca -0.21 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3hye h LYS 9 Cb 0.92 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3hye h LYS 9 CO 0.28 -0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 177.21 3hye n ASP 10 N -5.46 1.80 0.00 4.20 10.43 -1.26 -4.95 116.55 121.31 3hye n ASP 10 Ca 0.09 -1.64 0.00 0.00 2.57 0.00 0.00 54.79 55.81 3hye n ASP 10 Cb 0.39 -0.05 0.00 0.00 1.84 0.00 0.00 41.12 43.30 3hye n ASP 10 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hye n GLY 11 N 1.19 -0.11 3.47 0.44 0.00 -0.83 -4.24 105.19 105.11 3hye n GLY 11 Ca 0.18 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.01 -0.03 1.61 0.11 -0.68 -0.88 120.40 120.54 3hye s VAL 12 Ca 0.00 -0.09 0.06 0.00 -2.93 0.00 0.00 61.98 59.02 3hye s VAL 12 Cb 0.00 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.94 3hye s VAL 12 CO 0.00 -0.05 -0.20 -0.63 -3.33 0.00 0.00 175.10 170.89 3hye s ILE 13 N -0.88 1.63 -0.03 7.04 1.01 0.17 -0.92 121.20 129.21 3hye s ILE 13 Ca -0.09 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.71 3hye s ILE 13 Cb -0.02 -1.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 3hye s ILE 13 CO 0.07 0.46 -0.01 -0.76 0.00 0.00 0.00 174.94 174.70 3hye s LEU 14 N -0.29 3.46 0.03 2.97 1.02 -0.26 -0.41 118.68 125.21 3hye s LEU 14 Ca 0.03 0.02 -0.02 0.00 0.02 0.00 0.00 54.13 54.18 3hye s LEU 14 Cb -0.10 -1.91 -0.02 0.00 0.02 0.00 0.00 46.19 44.18 3hye s LEU 14 CO 0.01 0.32 0.01 -0.83 0.02 0.00 0.00 176.35 175.87 3hye s GLY 15 N -1.26 0.29 0.04 -3.19 0.00 0.47 -0.44 107.32 103.22 3hye s GLY 15 Ca 0.17 -0.76 -0.27 0.00 0.00 0.00 0.00 44.72 43.86 3hye s GLY 15 CO 0.07 -0.86 0.79 0.00 0.00 0.00 0.00 173.10 173.09 3hye s ALA 16 N -2.51 -1.75 0.83 3.20 0.00 -0.34 -1.33 121.76 119.86 3hye s ALA 16 Ca -0.06 0.87 -0.08 0.00 0.00 0.00 0.00 51.96 52.69 3hye s ALA 16 Cb -0.02 0.52 0.16 0.00 0.00 0.00 0.00 23.12 23.78 3hye s ALA 16 CO -0.05 -0.69 1.14 0.16 0.00 0.00 0.00 175.76 176.32 3hye s ASP 17 N -2.48 3.83 -0.19 0.00 -4.77 -0.48 -1.09 116.67 111.51 3hye s ASP 17 Ca 0.03 -0.04 0.13 0.00 -3.30 0.00 0.00 52.55 49.37 3hye s ASP 17 Cb -0.01 -0.21 0.43 0.00 -1.09 0.00 0.00 42.92 42.04 3hye s ASP 17 CO -0.09 -2.23 1.21 -1.54 0.70 0.00 0.00 175.17 173.21 3hye n SER 18 N -3.25 1.95 -4.56 2.11 3.41 -0.52 -4.55 113.62 108.22 3hye n SER 18 Ca 0.15 -3.55 -0.34 0.00 -0.26 0.00 0.00 58.87 54.87 3hye n SER 18 Cb 0.60 -0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.79 3.57 -0.10 4.33 3.52 -1.18 -0.76 118.95 125.55 3hye s ARG 19 Ca 0.39 -0.47 0.03 0.00 -0.13 0.00 0.00 55.73 55.54 3hye s ARG 19 Cb 0.38 -2.93 0.01 0.00 -1.56 0.00 0.00 34.95 30.84 3hye s ARG 19 CO -0.07 0.35 -0.17 0.95 -0.81 0.00 0.00 175.30 175.54 3hye s THR 20 N 0.09 1.60 0.17 4.11 -4.23 -0.35 -4.72 115.64 112.31 3hye s THR 20 Ca 0.01 -0.73 0.11 0.00 -1.18 0.00 0.00 61.69 59.89 3hye s THR 20 Cb -0.13 -1.43 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 3hye s THR 20 CO 0.02 0.46 -0.23 0.42 -0.54 0.00 0.00 174.62 174.75 3hye s THR 21 N 0.68 2.18 -0.45 3.99 -4.23 -1.26 -0.81 115.64 115.73 3hye s THR 21 Ca -0.13 -1.92 0.02 0.00 -1.18 0.00 0.00 61.69 58.48 3hye s THR 21 Cb -0.16 -2.00 0.14 0.00 1.34 0.00 0.00 72.50 71.81 3hye s THR 21 CO 0.03 -0.12 0.25 0.42 -0.54 0.00 0.00 174.62 174.66 3hye s THR 22 N -1.60 1.54 0.00 3.99 -4.23 -0.55 -4.87 115.64 109.91 3hye s THR 22 Ca 0.17 -2.68 0.00 0.00 -1.18 0.00 0.00 61.69 58.01 3hye s THR 22 Cb -0.08 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.68 3hye s THR 22 CO 0.08 -0.89 0.00 0.61 -0.54 0.00 0.00 174.62 173.88 3hye n GLY 23 N 3.45 0.29 0.04 3.99 0.00 -1.26 -2.98 105.19 108.71 3hye n GLY 23 Ca 0.09 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.51 3hye n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye n ALA 24 N 9.83 3.12 -2.07 4.61 0.00 -1.26 -4.88 120.51 129.86 3hye n ALA 24 Ca 0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 53.44 52.75 3hye n ALA 24 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.24 3hye n ALA 24 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3hye s TYR 25 N -3.11 3.87 -0.58 0.00 5.04 -1.16 -5.00 117.35 116.41 3hye s TYR 25 Ca 0.08 1.74 -0.20 0.00 -2.44 0.00 0.00 57.07 56.24 3hye s TYR 25 Cb 0.15 -2.92 0.08 0.00 0.35 0.00 0.00 41.96 39.62 3hye s TYR 25 CO 0.71 0.37 0.78 0.42 -1.34 0.00 0.00 175.55 176.49 3hye s ILE 26 N -0.64 4.66 0.30 3.14 1.01 -1.26 -1.49 121.20 126.93 3hye s ILE 26 Ca 0.41 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.51 3hye s ILE 26 Cb -0.24 -4.50 0.10 0.00 0.01 0.00 0.00 42.46 37.83 3hye s ILE 26 CO 0.28 -1.13 1.78 0.00 0.00 0.00 0.00 174.94 175.87 3hye h ALA 27 N 9.25 1.20 -2.87 9.38 0.00 -1.31 -3.43 119.26 131.48 3hye h ALA 27 Ca -0.28 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.15 3hye h ALA 27 Cb 1.08 -0.13 -0.30 0.00 0.00 0.00 0.00 17.79 18.45 3hye h ALA 27 CO 1.09 0.51 -0.46 1.21 0.00 0.00 0.00 179.25 181.60 3hye s ASN 28 N -6.79 -0.11 0.00 0.00 3.84 -1.12 -5.01 114.94 105.74 3hye s ASN 28 Ca -0.07 0.64 0.18 0.00 0.21 0.00 0.00 52.86 53.82 3hye s ASN 28 Cb 0.14 0.63 0.12 0.00 -0.55 0.00 0.00 41.25 41.59 3hye s ASN 28 CO 0.78 -0.20 1.03 -2.11 -2.79 0.00 0.00 177.10 173.82 3hye n ARG 29 N 4.67 1.48 -1.77 0.43 1.85 -1.26 -1.21 116.66 120.86 3hye n ARG 29 Ca -0.18 -1.45 -0.06 0.00 -1.00 0.00 0.00 57.85 55.16 3hye n ARG 29 Cb 0.52 -1.33 0.07 0.00 -1.05 0.00 0.00 32.46 30.67 3hye n ARG 29 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 3hye n VAL 30 N 0.84 1.72 -1.99 8.89 0.24 -1.07 -4.32 118.33 122.64 3hye n VAL 30 Ca 0.10 -3.12 -0.37 0.00 -2.04 0.00 0.00 64.34 58.91 3hye n VAL 30 Cb 0.43 0.03 0.03 0.00 -1.47 0.00 0.00 33.84 32.85 3hye n VAL 30 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hye s THR 31 N -3.28 2.54 -0.48 3.34 2.01 0.06 -5.00 115.64 114.83 3hye s THR 31 Ca 0.39 0.38 -0.05 0.00 0.31 0.00 0.00 61.69 62.72 3hye s THR 31 Cb 0.38 -3.18 0.13 0.00 0.01 0.00 0.00 72.50 69.83 3hye s THR 31 CO -0.04 -0.03 0.31 -0.62 -0.69 0.00 0.00 174.62 173.55 3hye s ASP 32 N -1.28 5.46 0.00 3.53 3.68 -1.26 -4.40 116.67 122.40 3hye s ASP 32 Ca 0.72 -2.14 0.21 0.00 2.13 0.00 0.00 52.55 53.47 3hye s ASP 32 Cb -0.34 -1.91 0.92 0.00 -1.45 0.00 0.00 42.92 40.14 3hye s ASP 32 CO 0.39 -0.57 1.64 0.29 0.13 0.00 0.00 175.17 177.05 3hye n LYS 33 N 4.51 1.51 -3.57 4.34 5.02 -1.26 -4.70 118.16 124.01 3hye n LYS 33 Ca -0.02 -0.76 -0.41 0.00 -2.02 0.00 0.00 58.31 55.10 3hye n LYS 33 Cb 0.41 -1.38 -0.11 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.64 4.72 -0.08 -0.35 1.43 -1.26 -1.80 118.68 119.71 3hye s LEU 34 Ca 0.32 -0.87 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 3hye s LEU 34 Cb 0.17 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 3hye s LEU 34 CO 0.26 -0.37 -0.17 -0.89 0.23 0.00 0.00 176.35 175.41 3hye s THR 35 N 1.60 2.74 -0.13 5.49 2.01 -0.59 -4.96 115.64 121.80 3hye s THR 35 Ca 0.03 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 61.00 3hye s THR 35 Cb -0.19 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 3hye s THR 35 CO 0.08 0.57 0.64 -0.60 -0.69 0.00 0.00 174.62 174.61 3hye s ARG 36 N -0.24 4.33 0.00 4.92 3.52 -1.26 -0.37 118.95 129.85 3hye s ARG 36 Ca 0.00 0.71 0.05 0.00 -0.13 0.00 0.00 55.73 56.36 3hye s ARG 36 Cb -0.13 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.73 3hye s ARG 36 CO 0.03 -0.05 0.30 1.33 -0.81 0.00 0.00 175.30 176.11 3hye n VAL 37 N 4.14 0.00 -3.56 7.11 0.24 -0.69 -4.91 118.33 120.66 3hye n VAL 37 Ca -0.02 -0.41 -0.07 0.00 -2.04 0.00 0.00 64.34 61.80 3hye n VAL 37 Cb 0.51 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.88 3hye n VAL 37 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3hye s HIS 38 N -1.22 -0.26 0.24 6.34 5.65 -0.73 -4.44 115.29 120.86 3hye s HIS 38 Ca 0.03 0.13 -0.16 0.00 0.25 0.00 0.00 55.06 55.31 3hye s HIS 38 Cb 0.04 0.54 0.27 0.00 -1.18 0.00 0.00 32.58 32.26 3hye s HIS 38 CO 0.17 -0.49 1.56 -0.44 -0.65 0.00 0.00 174.74 174.89 3hye h ASP 39 N 2.00 -1.26 -0.22 9.88 3.32 -2.01 -2.38 116.42 125.75 3hye h ASP 39 Ca -0.20 0.29 -0.17 0.00 0.02 0.00 0.00 57.03 56.98 3hye h ASP 39 Cb 1.22 0.69 -0.16 0.00 0.22 0.00 0.00 39.33 41.30 3hye h ASP 39 CO 0.28 -0.30 -0.65 0.29 -1.72 0.00 0.00 179.24 177.15 3hye n LYS 40 N -5.50 2.02 -3.73 3.56 5.02 -1.26 -4.92 118.16 113.35 3hye n LYS 40 Ca 0.11 -3.45 -0.27 0.00 -2.02 0.00 0.00 58.31 52.67 3hye n LYS 40 Cb 0.41 -1.68 -0.16 0.00 -0.02 0.00 0.00 35.03 33.58 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 -3.38 0.49 0.48 -0.18 1.01 -0.90 -0.50 121.20 118.23 3hye s ILE 41 Ca 0.41 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.55 3hye s ILE 41 Cb 0.38 -1.01 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 3hye s ILE 41 CO -0.05 -0.21 0.01 0.26 0.00 0.00 0.00 174.94 174.95 3hye s TRP 42 N 1.87 2.05 0.06 3.97 0.52 0.40 -1.71 118.94 126.11 3hye s TRP 42 Ca -0.01 -0.87 -0.05 0.00 0.02 0.00 0.00 56.10 55.19 3hye s TRP 42 Cb -0.17 -1.66 -0.02 0.00 -1.15 0.00 0.00 33.47 30.47 3hye s TRP 42 CO -0.08 0.29 0.08 0.00 0.02 0.00 0.00 176.95 177.26 3hye s ARG 45 N 0.29 3.34 0.05 0.00 0.52 -0.74 -1.47 118.95 120.93 3hye s ARG 45 Ca -0.06 -0.46 -0.07 0.00 -0.52 0.00 0.00 55.73 54.62 3hye s ARG 45 Cb -0.15 -2.86 -0.01 0.00 0.52 0.00 0.00 34.95 32.46 3hye s ARG 45 CO 0.04 0.47 0.13 -1.54 0.02 0.00 0.00 175.30 174.41 3hye s SER 46 N -0.24 0.15 0.00 0.23 1.04 -0.64 -4.92 113.70 109.31 3hye s SER 46 Ca 0.05 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.95 3hye s SER 46 Cb -0.13 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.25 3hye s SER 46 CO 0.02 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.30 3hye n GLY 47 N 0.61 0.97 3.70 7.32 0.00 -1.26 -0.77 105.19 115.76 3hye n GLY 47 Ca -0.18 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3hye n GLY 47 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hye s SER 48 N -4.00 7.13 0.11 1.61 0.15 0.79 -4.93 113.70 114.56 3hye s SER 48 Ca 0.00 1.85 -0.15 0.00 0.70 0.00 0.00 55.95 58.35 3hye s SER 48 Cb 0.00 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.70 3hye s SER 48 CO 0.00 -0.48 1.50 0.00 1.20 0.00 0.00 173.24 175.46 3hye h ALA 49 N 7.08 0.50 -0.26 5.45 0.00 -1.91 -0.48 119.26 129.63 3hye h ALA 49 Ca -0.38 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 3hye h ALA 49 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3hye h ALA 49 CO 0.83 0.38 0.09 0.00 0.00 0.00 0.00 179.25 180.55 3hye h ALA 50 N 0.81 0.34 -0.07 0.00 0.00 -1.97 -1.86 119.26 116.51 3hye h ALA 50 Ca 0.09 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hye h ALA 50 Cb 0.65 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3hye h ALA 50 CO 0.04 -0.04 0.03 -0.44 0.00 0.00 0.00 179.25 178.84 3hye h ASP 51 N 0.27 0.10 -0.14 0.00 3.32 -1.87 -2.11 116.42 115.99 3hye h ASP 51 Ca 0.09 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 3hye h ASP 51 Cb 0.22 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3hye h ASP 51 CO -0.00 0.23 -0.03 0.71 -1.72 0.00 0.00 179.24 178.43 3hye h THR 52 N -0.04 1.18 0.12 0.35 1.35 -1.07 -0.55 112.91 114.23 3hye h THR 52 Ca 0.02 -0.72 -0.01 0.00 -0.55 0.00 0.00 66.41 65.16 3hye h THR 52 Cb 0.17 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3hye h THR 52 CO -0.00 0.24 -0.06 1.56 -0.25 0.00 0.00 175.52 177.01 3hye h GLN 53 N 0.38 -0.15 -0.85 4.72 4.20 -1.24 0.57 115.11 122.74 3hye h GLN 53 Ca 0.08 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.88 3hye h GLN 53 Cb 0.31 0.03 -0.07 0.00 0.30 0.00 0.00 27.48 28.06 3hye h GLN 53 CO 0.01 0.20 0.51 0.00 -0.67 0.00 0.00 178.83 178.88 3hye h ALA 54 N 0.31 1.20 0.39 3.87 0.00 -1.14 0.23 119.26 124.12 3hye h ALA 54 Ca -0.02 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hye h ALA 54 Cb 0.41 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hye h ALA 54 CO 0.03 0.20 -0.19 0.82 0.00 0.00 0.00 179.25 180.11 3hye h ILE 55 N 0.90 0.61 -0.32 0.00 2.04 -0.98 -1.84 117.51 117.92 3hye h ILE 55 Ca 0.39 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 66.05 3hye h ILE 55 Cb 0.27 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 3hye h ILE 55 CO -0.21 0.05 -0.05 0.00 0.00 0.00 0.00 178.15 177.94 3hye h ALA 56 N -0.13 0.25 -0.69 1.87 0.00 -0.38 0.63 119.26 120.81 3hye h ALA 56 Ca -0.05 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.08 3hye h ALA 56 Cb 0.49 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 3hye h ALA 56 CO 0.09 -0.44 0.30 -0.44 0.00 0.00 0.00 179.25 178.76 3hye h ASP 57 N 0.04 0.34 -0.26 0.00 3.45 -0.51 0.95 116.42 120.42 3hye h ASP 57 Ca 0.16 0.08 -0.14 0.00 0.43 0.00 0.00 57.03 57.56 3hye h ASP 57 Cb 0.23 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 3hye h ASP 57 CO -0.31 0.18 -0.33 0.40 -1.57 0.00 0.00 179.24 177.61 3hye h ILE 58 N 0.50 1.28 -0.28 0.35 2.04 -0.41 -1.80 117.51 119.18 3hye h ILE 58 Ca 0.35 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 3hye h ILE 58 Cb 0.44 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3hye h ILE 58 CO -0.32 0.49 0.15 0.58 0.00 0.00 0.00 178.15 179.05 3hye h VAL 59 N 0.66 1.13 -0.46 1.67 2.07 0.09 -0.04 116.25 121.37 3hye h VAL 59 Ca 0.07 -0.35 0.06 0.00 0.82 0.00 0.00 66.70 67.29 3hye h VAL 59 Cb 0.87 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 3hye h VAL 59 CO 0.08 0.13 0.16 -0.61 0.02 0.00 0.00 177.57 177.35 3hye h GLN 60 N 0.33 0.32 -0.31 1.57 4.15 -0.74 0.14 115.11 120.58 3hye h GLN 60 Ca 0.10 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.54 3hye h GLN 60 Cb 0.08 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.66 3hye h GLN 60 CO -0.01 0.21 0.09 -0.92 -1.93 0.00 0.00 178.83 176.26 3hye h TYR 61 N 0.33 0.15 -0.61 3.99 3.20 -0.92 -0.37 116.97 122.75 3hye h TYR 61 Ca 0.22 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 3hye h TYR 61 Cb 0.22 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3hye h TYR 61 CO -0.16 0.06 0.37 0.45 -1.64 0.00 0.00 178.16 177.23 3hye h HIS 62 N 0.21 0.80 0.00 -3.82 3.86 0.18 -1.93 115.15 114.46 3hye h HIS 62 Ca 0.14 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 3hye h HIS 62 Cb 0.13 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 3hye h HIS 62 CO -0.15 0.55 -0.23 -0.07 0.86 0.00 0.00 177.93 178.88 3hye h LEU 63 N 0.82 0.00 -0.09 2.43 3.38 -0.45 0.49 115.31 121.90 3hye h LEU 63 Ca 0.22 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.05 3hye h LEU 63 Cb -0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.74 3hye h LEU 63 CO -0.04 0.23 -0.47 -0.08 0.09 0.00 0.00 178.44 178.17 3hye h GLU 64 N 0.00 0.48 -0.07 1.13 4.81 -0.63 -0.64 114.58 119.66 3hye h GLU 64 Ca -0.00 -0.39 -0.11 0.00 -0.13 0.00 0.00 59.36 58.72 3hye h GLU 64 Cb 0.76 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.20 3hye h GLU 64 CO 0.03 1.03 -0.45 1.25 -0.73 0.00 0.00 179.01 180.14 3hye h LEU 65 N 0.06 0.18 0.08 1.64 5.85 -1.17 -1.76 115.31 120.19 3hye h LEU 65 Ca -0.03 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 3hye h LEU 65 Cb 1.12 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3hye h LEU 65 CO 0.10 0.61 -0.04 0.22 -0.34 0.00 0.00 178.44 178.99 3hye h TYR 66 N 0.14 -0.10 -0.39 1.25 3.20 -0.82 -2.84 116.97 117.40 3hye h TYR 66 Ca 0.01 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.93 3hye h TYR 66 Cb 0.86 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.11 3hye h TYR 66 CO 0.01 0.09 0.12 1.15 -1.64 0.00 0.00 178.16 177.88 3hye h THR 67 N -0.28 0.85 -0.73 1.81 2.02 -0.91 0.45 112.91 116.12 3hye h THR 67 Ca -0.01 -0.09 0.16 0.00 0.77 0.00 0.00 66.41 67.24 3hye h THR 67 Cb 0.24 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 3hye h THR 67 CO 0.02 0.05 0.50 0.28 0.37 0.00 0.00 175.52 176.73 3hye h SER 68 N 0.26 0.27 0.00 4.18 0.02 -1.24 -0.37 113.55 116.68 3hye h SER 68 Ca 0.19 0.02 -0.43 0.00 -0.84 0.00 0.00 61.79 60.73 3hye h SER 68 Cb 0.19 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 3hye h SER 68 CO -0.21 0.13 -2.49 0.00 -1.14 0.00 0.00 176.83 173.13 3hye n GLN 69 N -4.44 0.62 -0.09 3.45 6.02 -0.65 -4.74 117.38 117.54 3hye n GLN 69 Ca 0.14 0.22 0.03 0.00 -0.01 0.00 0.00 57.00 57.38 3hye n GLN 69 Cb 0.60 -1.51 0.08 0.00 1.02 0.00 0.00 30.24 30.43 3hye n GLN 69 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hye n TYR 70 N -3.80 0.22 -1.63 1.08 4.02 0.15 -5.11 117.16 112.09 3hye n TYR 70 Ca -0.50 -0.56 0.00 0.00 -0.01 0.00 0.00 57.90 56.83 3hye n TYR 70 Cb 0.93 -0.06 0.00 0.00 -0.02 0.00 0.00 39.34 40.19 3hye n TYR 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hye n GLY 72 N -0.21 -2.24 3.64 2.72 0.00 -0.15 -4.89 105.19 104.06 3hye n GLY 72 Ca 0.07 -1.51 -0.48 0.00 0.00 0.00 0.00 46.02 44.09 3hye n GLY 72 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hye n THR 73 N -0.56 0.21 -3.14 2.61 -1.04 -1.26 -3.77 114.28 107.34 3hye n THR 73 Ca 0.00 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.05 61.63 3hye n THR 73 Cb 0.00 -1.23 -0.06 0.00 -1.82 0.00 0.00 70.33 67.22 3hye n THR 73 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3hye s PRO 74 N 0.47 4.02 0.55 -2.82 0.04 -1.26 -5.02 135.00 130.98 3hye s PRO 74 Ca 0.79 0.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.34 3hye s PRO 74 Cb -0.78 -2.47 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 3hye s PRO 74 CO 0.44 0.18 1.03 -1.54 0.04 0.00 0.00 177.00 177.14 3hye s SER 75 N -2.23 6.15 0.46 6.66 1.04 -1.26 -4.90 113.70 119.63 3hye s SER 75 Ca 0.53 1.75 0.14 0.00 0.48 0.00 0.00 55.95 58.85 3hye s SER 75 Cb -0.11 -2.53 1.09 0.00 0.10 0.00 0.00 66.02 64.57 3hye s SER 75 CO 0.18 -0.91 2.05 0.74 0.98 0.00 0.00 173.24 176.27 3hye h THR 76 N 0.77 0.96 -0.56 2.02 2.02 -1.95 -0.02 112.91 116.15 3hye h THR 76 Ca -0.47 -0.10 -0.09 0.00 0.77 0.00 0.00 66.41 66.52 3hye h THR 76 Cb 1.21 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 3hye h THR 76 CO 0.59 0.05 0.00 -0.08 0.37 0.00 0.00 175.52 176.46 3hye h GLU 77 N 0.30 0.98 -0.67 6.66 4.81 -1.99 -1.43 114.58 123.24 3hye h GLU 77 Ca 0.17 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 3hye h GLU 77 Cb 0.28 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3hye h GLU 77 CO -0.04 0.98 0.17 1.15 -0.73 0.00 0.00 179.01 180.55 3hye h THR 78 N 0.86 1.25 -0.38 0.32 2.02 -1.40 -1.20 112.91 114.39 3hye h THR 78 Ca 0.16 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 3hye h THR 78 Cb 0.54 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3hye h THR 78 CO 0.03 0.35 0.12 0.00 0.37 0.00 0.00 175.52 176.39 3hye h ALA 79 N 1.17 0.50 0.00 6.16 0.00 -0.99 -1.96 119.26 124.14 3hye h ALA 79 Ca 0.21 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hye h ALA 79 Cb 0.34 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hye h ALA 79 CO -0.00 0.14 -0.13 0.00 0.00 0.00 0.00 179.25 179.25 3hye h ALA 80 N 0.97 1.63 -0.12 0.00 0.00 -0.99 -1.95 119.26 118.79 3hye h ALA 80 Ca 0.12 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 3hye h ALA 80 Cb 0.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hye h ALA 80 CO -0.00 0.17 -0.75 1.03 0.00 0.00 0.00 179.25 179.69 3hye h SER 81 N 0.00 0.73 -0.49 0.00 0.87 -0.72 -0.48 113.55 113.45 3hye h SER 81 Ca -0.00 -0.48 -0.13 0.00 -1.23 0.00 0.00 61.79 59.95 3hye h SER 81 Cb 0.26 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3hye h SER 81 CO 0.02 1.25 -0.20 0.58 -0.53 0.00 0.00 176.83 177.94 3hye h VAL 82 N 0.42 1.27 -0.04 2.23 2.07 -0.70 -0.37 116.25 121.13 3hye h VAL 82 Ca -0.04 -1.37 -0.00 0.00 0.82 0.00 0.00 66.70 66.11 3hye h VAL 82 Cb 1.35 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 3hye h VAL 82 CO 0.14 0.48 0.02 -0.26 0.02 0.00 0.00 177.57 177.97 3hye h PHE 83 N 0.87 0.05 0.06 1.57 0.04 -1.32 -2.75 116.94 115.46 3hye h PHE 83 Ca 0.11 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.91 3hye h PHE 83 Cb 0.79 -0.02 -0.04 0.00 2.20 0.00 0.00 35.95 38.88 3hye h PHE 83 CO 0.05 0.09 -0.25 -0.22 -0.60 0.00 0.00 178.31 177.38 3hye h LYS 84 N -0.00 -0.40 -0.73 1.51 3.11 -0.85 -1.03 116.57 118.18 3hye h LYS 84 Ca 0.01 0.03 0.15 0.00 -2.81 0.00 0.00 60.65 58.03 3hye h LYS 84 Cb 0.05 0.09 -0.14 0.00 -1.00 0.00 0.00 32.23 31.24 3hye h LYS 84 CO -0.00 -0.27 -0.12 1.49 -2.81 0.00 0.00 179.45 177.74 3hye h GLU 85 N -0.41 0.03 -0.29 1.90 4.57 -0.97 0.37 114.58 119.78 3hye h GLU 85 Ca 0.05 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.20 3hye h GLU 85 Cb 0.47 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 3hye h GLU 85 CO -0.18 0.02 0.07 -0.07 -1.18 0.00 0.00 179.01 177.67 3hye h LEU 86 N 0.03 0.43 -0.55 1.64 3.38 -1.14 -2.04 115.31 117.06 3hye h LEU 86 Ca 0.37 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 3hye h LEU 86 Cb 0.60 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hye h LEU 86 CO -0.72 0.54 -0.41 0.00 0.09 0.00 0.00 178.44 177.94 3hye h TYR 88 N 0.58 -0.06 0.00 0.00 5.03 -0.35 -2.46 116.97 119.72 3hye h TYR 88 Ca 0.05 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.35 3hye h TYR 88 Cb 0.95 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.25 3hye h TYR 88 CO 0.05 0.58 -0.04 1.49 -1.32 0.00 0.00 178.16 178.92 3hye h GLU 89 N -0.81 0.00 0.00 1.82 4.57 -1.48 -2.65 114.58 116.04 3hye h GLU 89 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3hye h GLU 89 Cb 0.66 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.24 3hye h GLU 89 CO 0.01 0.04 -0.41 0.09 -1.18 0.00 0.00 179.01 177.55 3hye n ASN 90 N -3.46 1.81 -0.17 1.04 3.02 -1.04 -4.82 115.26 111.64 3hye n ASN 90 Ca -0.02 -3.71 0.21 0.00 -0.03 0.00 0.00 54.58 51.02 3hye n ASN 90 Cb 0.15 -0.51 0.59 0.00 -0.61 0.00 0.00 39.78 39.40 3hye n ASN 90 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3hye h LYS 91 N 0.80 0.23 0.00 3.52 2.10 -1.05 -1.85 116.57 120.32 3hye h LYS 91 Ca -0.00 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.57 3hye h LYS 91 Cb 1.02 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.29 3hye h LYS 91 CO 0.00 0.15 -0.28 -0.44 -2.00 0.00 0.00 179.45 176.89 3hye h ASP 92 N 0.24 0.00 -0.13 7.07 3.45 -1.87 -3.25 116.42 121.94 3hye h ASP 92 Ca 0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 3hye h ASP 92 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3hye h ASP 92 CO -0.09 0.28 0.00 0.59 -1.57 0.00 0.00 179.24 178.44 3hye n ASN 94 N -3.80 2.16 -4.35 6.45 3.02 -0.73 -5.02 115.26 112.99 3hye n ASN 94 Ca -0.01 -1.75 -0.27 0.00 -0.03 0.00 0.00 54.58 52.52 3hye n ASN 94 Cb 0.37 -0.08 -0.13 0.00 -0.61 0.00 0.00 39.78 39.33 3hye n ASN 94 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hye s LEU 95 N -0.83 2.31 -0.43 3.41 1.43 -0.99 -5.07 118.68 118.52 3hye s LEU 95 Ca 0.10 -0.73 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 3hye s LEU 95 Cb 0.06 -1.08 0.14 0.00 0.03 0.00 0.00 46.19 45.34 3hye s LEU 95 CO 0.08 0.13 0.26 -0.89 0.23 0.00 0.00 176.35 176.16 3hye s THR 96 N -1.11 0.99 -0.05 5.49 2.01 -1.26 -4.88 115.64 116.83 3hye s THR 96 Ca 0.11 -2.45 -0.02 0.00 0.31 0.00 0.00 61.69 59.64 3hye s THR 96 Cb -0.10 -1.69 0.03 0.00 0.01 0.00 0.00 72.50 70.75 3hye s THR 96 CO 0.05 -0.98 0.09 0.00 -0.69 0.00 0.00 174.62 173.09 3hye s ALA 97 N 0.38 0.07 -0.35 7.40 0.00 -1.26 -0.15 121.76 127.85 3hye s ALA 97 Ca 0.21 0.34 -0.04 0.00 0.00 0.00 0.00 51.96 52.46 3hye s ALA 97 Cb -0.18 -0.60 0.07 0.00 0.00 0.00 0.00 23.12 22.41 3hye s ALA 97 CO -0.04 -0.42 0.12 0.20 0.00 0.00 0.00 175.76 175.61 3hye s GLY 98 N 1.95 1.87 -0.07 0.00 0.00 0.05 -4.10 107.32 107.03 3hye s GLY 98 Ca 0.01 -2.02 0.05 0.00 0.00 0.00 0.00 44.72 42.76 3hye s GLY 98 CO -0.04 0.84 -0.22 -0.42 0.00 0.00 0.00 173.10 173.26 3hye s ILE 99 N 1.28 2.34 -0.23 0.90 1.01 -0.45 -1.63 121.20 124.42 3hye s ILE 99 Ca 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 3hye s ILE 99 Cb -0.21 -1.88 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 3hye s ILE 99 CO -0.01 0.57 0.03 -0.63 0.00 0.00 0.00 174.94 174.90 3hye s ILE 100 N -0.19 4.09 -0.18 2.92 -1.09 -0.54 0.09 121.20 126.30 3hye s ILE 100 Ca -0.02 -0.25 -0.08 0.00 -2.23 0.00 0.00 60.65 58.06 3hye s ILE 100 Cb -0.14 -2.88 -0.04 0.00 -1.58 0.00 0.00 42.46 37.82 3hye s ILE 100 CO 0.03 0.38 0.08 -0.69 -1.23 0.00 0.00 174.94 173.52 3hye s VAL 101 N 1.34 4.99 -0.03 2.92 1.01 0.15 0.69 120.40 131.48 3hye s VAL 101 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3hye s VAL 101 Cb -0.15 -3.25 0.03 0.00 0.00 0.00 0.00 36.38 33.01 3hye s VAL 101 CO 0.02 0.46 0.01 0.00 0.00 0.00 0.00 175.10 175.59 3hye s ALA 102 N 0.28 0.25 0.09 5.51 0.00 0.04 -0.91 121.76 127.02 3hye s ALA 102 Ca 0.05 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.14 3hye s ALA 102 Cb -0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 3hye s ALA 102 CO -0.00 -0.07 0.13 0.20 0.00 0.00 0.00 175.76 176.01 3hye s GLY 103 N 0.97 0.31 -0.21 0.00 0.00 -1.00 -0.45 107.32 106.95 3hye s GLY 103 Ca -0.09 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.75 3hye s GLY 103 CO -0.02 -0.99 -0.15 -0.47 0.00 0.00 0.00 173.10 171.47 3hye s TYR 104 N -3.90 2.91 0.18 1.90 6.14 0.35 -1.68 117.35 123.24 3hye s TYR 104 Ca 0.08 -1.62 0.07 0.00 0.64 0.00 0.00 57.07 56.25 3hye s TYR 104 Cb 0.06 -1.97 -0.04 0.00 0.42 0.00 0.00 41.96 40.43 3hye s TYR 104 CO -0.08 -0.77 0.02 0.34 0.64 0.00 0.00 175.55 175.69 3hye s ASP 105 N 1.30 4.84 0.03 4.32 2.15 -0.03 -4.85 116.67 124.44 3hye s ASP 105 Ca 0.03 -0.38 -0.06 0.00 0.43 0.00 0.00 52.55 52.56 3hye s ASP 105 Cb -0.15 -1.05 -0.30 0.00 -0.30 0.00 0.00 42.92 41.13 3hye s ASP 105 CO -0.09 0.08 0.98 -0.78 -0.17 0.00 0.00 175.17 175.19 3hye h ASP 10 N 2.60 0.49 -0.01 -0.34 3.58 -2.00 0.37 116.42 121.11 3hye h ASP 10 Ca -0.47 -0.59 -0.11 0.00 0.42 0.00 0.00 57.03 56.28 3hye h ASP 10 Cb 1.21 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 42.10 3hye h ASP 10 CO 0.59 1.48 -0.44 0.50 -2.88 0.00 0.00 179.24 178.49 3hye h LYS 10 N 0.09 0.31 -0.00 0.28 3.11 -2.05 -3.34 116.57 114.96 3hye h LYS 10 Ca -0.21 -0.32 0.00 0.00 -2.81 0.00 0.00 60.65 57.31 3hye h LYS 10 Cb 2.03 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 33.35 3hye h LYS 10 CO 0.20 1.01 -0.64 0.09 -2.81 0.00 0.00 179.45 177.31 3hye n ASN 106 N -4.35 0.75 0.00 4.20 3.02 -1.25 -5.06 115.26 112.56 3hye n ASN 106 Ca -0.10 -0.58 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 3hye n ASN 106 Cb 0.59 0.48 0.00 0.00 -0.61 0.00 0.00 39.78 40.24 3hye n ASN 106 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3hye n LYS 107 N -1.38 0.00 -2.87 3.52 4.81 0.13 -4.68 118.16 117.69 3hye n LYS 107 Ca 0.06 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.12 3hye n LYS 107 Cb 0.34 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.33 3hye n LYS 107 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 3hye s GLY 108 N -1.23 2.83 0.01 3.14 0.00 -1.25 -0.85 107.32 109.97 3hye s GLY 108 Ca 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 44.72 45.14 3hye s GLY 108 CO 0.00 0.90 0.03 -0.54 0.00 0.00 0.00 173.10 173.49 3hye s GLU 109 N -1.77 0.28 -0.06 2.90 2.02 -0.68 -4.94 118.70 116.46 3hye s GLU 109 Ca 0.45 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 55.08 3hye s GLU 109 Cb -0.20 0.11 0.02 0.00 0.10 0.00 0.00 34.13 34.16 3hye s GLU 109 CO 0.25 -0.05 -0.08 0.08 0.02 0.00 0.00 175.26 175.47 3hye s VAL 110 N -1.03 0.85 -0.07 2.63 1.01 -1.25 -2.38 120.40 120.17 3hye s VAL 110 Ca -0.11 -0.30 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3hye s VAL 110 Cb -0.07 -0.82 0.01 0.00 0.00 0.00 0.00 36.38 35.50 3hye s VAL 110 CO -0.00 0.30 -0.14 -0.31 0.00 0.00 0.00 175.10 174.94 3hye s TYR 111 N 0.85 1.63 -0.17 5.22 1.51 -0.09 -1.02 117.35 125.28 3hye s TYR 111 Ca -0.12 -0.61 -0.04 0.00 -1.01 0.00 0.00 57.07 55.30 3hye s TYR 111 Cb -0.15 -1.16 -0.02 0.00 -0.11 0.00 0.00 41.96 40.51 3hye s TYR 111 CO 0.01 -0.29 -0.04 -0.08 -1.11 0.00 0.00 175.55 174.04 3hye s THR 112 N 0.59 3.73 -0.42 -0.71 -1.32 0.83 0.32 115.64 118.66 3hye s THR 112 Ca -0.15 -0.40 -0.04 0.00 -1.21 0.00 0.00 61.69 59.89 3hye s THR 112 Cb -0.16 -2.65 0.11 0.00 -1.51 0.00 0.00 72.50 68.29 3hye s THR 112 CO 0.04 0.47 0.24 -0.63 -2.21 0.00 0.00 174.62 172.53 3hye s ILE 113 N 0.68 3.52 0.89 5.08 1.09 0.11 -1.35 121.20 131.23 3hye s ILE 113 Ca -0.02 -1.99 -0.13 0.00 -1.10 0.00 0.00 60.65 57.40 3hye s ILE 113 Cb -0.14 -3.39 0.15 0.00 -1.06 0.00 0.00 42.46 38.02 3hye s ILE 113 CO 0.02 -0.71 1.25 -2.16 -0.10 0.00 0.00 174.94 173.23 3hye s PRO 114 N 1.19 1.16 0.15 2.79 0.04 -1.24 -1.35 135.00 137.75 3hye s PRO 114 Ca 0.08 -0.30 -0.16 0.00 0.04 0.00 0.00 61.00 60.66 3hye s PRO 114 Cb -0.24 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.48 3hye s PRO 114 CO -0.03 -2.06 1.13 1.28 0.04 0.00 0.00 177.00 177.35 3hye n LEU 115 N -3.54 -0.58 0.22 -3.56 4.32 -1.26 -1.15 117.00 111.45 3hye n LEU 115 Ca 0.13 1.28 0.15 0.00 -0.02 0.00 0.00 56.01 57.56 3hye n LEU 115 Cb 0.60 -0.25 0.76 0.00 -1.62 0.00 0.00 43.42 42.91 3hye n LEU 115 CO 0.49 -1.12 0.96 1.23 -1.22 0.00 0.00 177.39 177.73 3hye h GLY 116 N 0.00 0.00 0.00 -0.72 0.00 -1.92 -3.46 103.07 96.97 3hye h GLY 116 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3hye h GLY 116 CO -0.71 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.44 3hye n GLY 117 N -0.84 1.07 3.88 4.60 0.00 -0.30 -4.44 105.19 109.15 3hye n GLY 117 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 6.25 -0.02 1.61 1.04 -1.26 -4.39 113.70 114.93 3hye s SER 118 Ca 0.00 1.31 0.07 0.00 0.48 0.00 0.00 55.95 57.81 3hye s SER 118 Cb 0.00 -2.42 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 3hye s SER 118 CO 0.00 -0.80 -0.23 -0.69 0.98 0.00 0.00 173.24 172.51 3hye s VAL 119 N -3.07 2.35 -0.09 5.02 1.01 -1.26 -3.61 120.40 120.75 3hye s VAL 119 Ca 0.53 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 61.46 3hye s VAL 119 Cb -0.11 -1.85 0.04 0.00 0.00 0.00 0.00 36.38 34.46 3hye s VAL 119 CO 0.51 0.56 0.06 -1.00 0.00 0.00 0.00 175.10 175.24 3hye s HIS 120 N -0.66 0.20 -0.04 5.22 3.76 -0.46 -4.97 115.29 118.35 3hye s HIS 120 Ca 0.11 0.01 -0.23 0.00 -0.15 0.00 0.00 55.06 54.79 3hye s HIS 120 Cb -0.10 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.95 3hye s HIS 120 CO -0.00 -0.31 0.69 0.21 -0.85 0.00 0.00 174.74 174.48 3hye s LYS 121 N 2.13 4.43 0.11 1.40 2.20 -1.26 -0.12 119.74 128.62 3hye s LYS 121 Ca 0.04 0.88 -0.09 0.00 -0.36 0.00 0.00 55.97 56.44 3hye s LYS 121 Cb -0.13 -3.41 -0.00 0.00 -1.51 0.00 0.00 37.83 32.77 3hye s LYS 121 CO -0.05 0.15 0.23 -0.51 -0.36 0.00 0.00 175.35 174.81 3hye s LEU 122 N 0.48 1.25 0.41 5.43 1.43 -0.19 -4.99 118.68 122.51 3hye s LEU 122 Ca 0.36 -0.67 0.10 0.00 -1.03 0.00 0.00 54.13 52.90 3hye s LEU 122 Cb -0.18 1.13 0.88 0.00 0.03 0.00 0.00 46.19 48.05 3hye s LEU 122 CO 0.19 -0.77 1.98 -0.65 0.23 0.00 0.00 176.35 177.33 3hye h PRO 123 N 2.68 0.27 -2.76 1.29 0.11 -1.96 -3.32 132.00 128.30 3hye h PRO 123 Ca -0.34 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.76 3hye h PRO 123 Cb 1.21 -0.05 -0.13 0.00 0.11 0.00 0.00 31.00 32.14 3hye h PRO 123 CO 0.54 0.31 0.30 1.52 -0.21 0.00 0.00 178.00 180.47 3hye s TYR 124 N -4.95 -0.47 -0.03 0.65 -0.85 -1.26 -1.41 117.35 109.03 3hye s TYR 124 Ca -0.06 0.29 -0.12 0.00 -0.52 0.00 0.00 57.07 56.65 3hye s TYR 124 Cb 0.16 0.55 0.02 0.00 0.38 0.00 0.00 41.96 43.07 3hye s TYR 124 CO 0.72 -0.75 0.27 0.00 -1.52 0.00 0.00 175.55 174.27 3hye s ALA 125 N -3.54 -0.68 0.07 9.51 0.00 -0.06 -4.99 121.76 122.07 3hye s ALA 125 Ca 0.02 0.31 0.07 0.00 0.00 0.00 0.00 51.96 52.36 3hye s ALA 125 Cb -0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.07 3hye s ALA 125 CO -0.12 -0.23 -0.18 0.96 0.00 0.00 0.00 175.76 176.20 3hye s ILE 126 N -1.10 1.42 0.28 0.00 -0.00 -1.26 -1.21 121.20 119.34 3hye s ILE 126 Ca -0.12 -1.32 -0.18 0.00 -0.00 0.00 0.00 60.65 59.03 3hye s ILE 126 Cb -0.05 -1.30 0.02 0.00 -0.00 0.00 0.00 42.46 41.13 3hye s ILE 126 CO 0.03 -0.06 0.65 0.00 -0.00 0.00 0.00 174.94 175.57 3hye s ALA 127 N -1.08 -0.84 0.00 2.27 0.00 0.18 -4.98 121.76 117.31 3hye s ALA 127 Ca 0.03 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3hye s ALA 127 Cb -0.09 0.90 0.00 0.00 0.00 0.00 0.00 23.12 23.93 3hye s ALA 127 CO 0.03 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.22 3hye n GLY 128 N -0.45 1.62 0.32 0.00 0.00 -1.26 -1.55 105.19 103.86 3hye n GLY 128 Ca -0.04 -1.76 0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 0.41 0.30 1.61 4.64 -1.63 0.65 113.55 119.53 3hye h SER 129 Ca 0.00 0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 3hye h SER 129 Cb 0.00 0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hye h SER 129 CO 0.00 0.03 -0.05 1.23 -0.87 0.00 0.00 176.83 177.17 3hye h GLY 130 N 0.45 0.00 2.00 -0.77 0.00 -1.28 -2.99 103.07 100.47 3hye h GLY 130 Ca 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.87 3hye h GLY 130 CO -0.51 0.00 -0.13 1.48 0.00 0.00 0.00 176.54 177.38 3hye h SER 131 N 0.00 0.00 -0.76 0.19 4.64 -1.02 -2.76 113.55 113.84 3hye h SER 131 Ca -0.00 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.45 3hye h SER 131 Cb 0.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 3hye h SER 131 CO 0.01 0.13 0.50 0.71 -0.87 0.00 0.00 176.83 177.31 3hye h THR 132 N 0.00 0.83 0.00 2.95 1.35 -1.67 -0.63 112.91 115.74 3hye h THR 132 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 3hye h THR 132 Cb 0.24 0.30 0.00 0.00 -1.73 0.00 0.00 68.15 66.96 3hye h THR 132 CO 0.02 0.09 0.00 -0.26 -0.25 0.00 0.00 175.52 175.12 3hye h PHE 133 N 0.49 0.00 -0.30 4.73 0.04 -1.72 -3.28 116.94 116.90 3hye h PHE 133 Ca 0.37 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.14 3hye h PHE 133 Cb 0.74 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.89 3hye h PHE 133 CO -0.00 0.00 0.00 0.44 -0.60 0.00 0.00 178.31 178.15 3hye n ILE 134 N -2.75 1.67 0.11 -0.55 -5.35 -0.26 -4.64 119.36 107.59 3hye n ILE 134 Ca 0.04 -1.46 -0.13 0.00 -0.27 0.00 0.00 62.75 60.93 3hye n ILE 134 Cb 0.43 0.11 -0.07 0.00 -1.74 0.00 0.00 39.64 38.36 3hye n ILE 134 CO 0.00 0.00 0.00 1.88 -1.76 0.00 0.00 176.55 176.67 3hye h TYR 135 N 1.88 -0.18 0.13 4.28 0.05 -1.58 0.04 116.97 121.59 3hye h TYR 135 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hye h TYR 135 Cb 1.10 0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.89 3hye h TYR 135 CO 0.37 -0.10 -0.10 0.78 -1.05 0.00 0.00 178.16 178.06 3hye h GLY 136 N -0.21 -0.23 0.53 3.88 0.00 -1.86 -0.80 103.07 104.38 3hye h GLY 136 Ca -0.02 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.43 3hye h GLY 136 CO 0.03 -0.11 -0.32 -1.82 0.00 0.00 0.00 176.54 174.33 3hye h TYR 137 N -0.24 -0.86 -0.86 5.60 3.20 -1.82 -1.52 116.97 120.47 3hye h TYR 137 Ca -0.00 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.94 3hye h TYR 137 Cb 0.22 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 3hye h TYR 137 CO -0.10 -0.44 0.54 0.00 -1.64 0.00 0.00 178.16 176.52 3hye h ASP 139 N 0.99 0.00 0.66 0.00 1.82 -0.86 -0.33 116.42 118.71 3hye h ASP 139 Ca 0.37 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.74 3hye h ASP 139 Cb 0.14 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.13 3hye h ASP 139 CO -0.16 0.32 -1.35 0.11 -1.61 0.00 0.00 179.24 176.54 3hye h LYS 140 N 0.00 0.12 0.00 0.28 1.79 -0.43 -3.39 116.57 114.95 3hye h LYS 140 Ca -0.00 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 3hye h LYS 140 Cb 0.60 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 3hye h LYS 140 CO 0.04 0.97 -1.34 0.09 -1.08 0.00 0.00 179.45 178.13 3hye n ASN 141 N -3.35 0.63 -4.75 0.86 4.13 -0.20 -4.97 115.26 107.61 3hye n ASN 141 Ca -0.10 -0.60 -0.41 0.00 1.68 0.00 0.00 54.58 55.16 3hye n ASN 141 Cb 1.01 1.33 -0.04 0.00 -1.54 0.00 0.00 39.78 40.54 3hye n ASN 141 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hye s PHE 142 N -3.19 3.48 0.02 3.10 5.36 -0.15 -5.03 117.98 121.56 3hye s PHE 142 Ca 0.02 1.56 0.01 0.00 -0.96 0.00 0.00 56.93 57.57 3hye s PHE 142 Cb 0.15 -3.37 -0.01 0.00 -0.34 0.00 0.00 43.02 39.45 3hye s PHE 142 CO 0.88 -0.91 -0.05 1.03 -1.46 0.00 0.00 175.22 174.71 3hye s ARG 143 N -0.95 0.38 0.44 10.12 0.52 -1.26 -5.01 118.95 123.19 3hye s ARG 143 Ca 0.48 -0.42 -0.20 0.00 -0.52 0.00 0.00 55.73 55.07 3hye s ARG 143 Cb -0.33 -0.23 -0.10 0.00 0.52 0.00 0.00 34.95 34.81 3hye s ARG 143 CO 0.40 0.05 0.94 -1.21 0.02 0.00 0.00 175.30 175.50 3hye s GLU 144 N -0.82 4.17 -1.15 3.54 2.02 -1.26 -4.06 118.70 121.14 3hye s GLU 144 Ca -0.05 1.06 -0.02 0.00 0.02 0.00 0.00 54.97 55.98 3hye s GLU 144 Cb -0.06 -2.19 0.00 0.00 0.10 0.00 0.00 34.13 31.99 3hye s GLU 144 CO -0.00 -0.06 0.25 0.09 0.02 0.00 0.00 175.26 175.56 3hye n ASN 145 N -0.78 -4.61 -4.73 -0.19 5.03 -1.26 -4.95 115.26 103.76 3hye n ASN 145 Ca 0.07 -0.12 -0.29 0.00 0.87 0.00 0.00 54.58 55.10 3hye n ASN 145 Cb 0.54 -3.60 0.14 0.00 -1.02 0.00 0.00 39.78 35.84 3hye n ASN 145 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3hye s MET 146 N -5.08 1.21 0.66 3.52 -1.94 -1.26 -4.18 119.30 112.23 3hye s MET 146 Ca 0.12 0.67 -0.06 0.00 -1.71 0.00 0.00 55.69 54.71 3hye s MET 146 Cb -0.05 -1.82 0.04 0.00 2.01 0.00 0.00 34.83 35.01 3hye s MET 146 CO 0.15 -2.23 0.96 -1.54 -0.01 0.00 0.00 175.02 172.35 3hye s SER 147 N -3.58 5.11 0.23 3.03 1.04 -1.26 -1.31 113.70 116.96 3hye s SER 147 Ca 0.63 0.52 -0.07 0.00 0.48 0.00 0.00 55.95 57.51 3hye s SER 147 Cb -0.17 -1.30 0.29 0.00 0.10 0.00 0.00 66.02 64.94 3hye s SER 147 CO 0.56 -1.39 1.86 0.50 0.98 0.00 0.00 173.24 175.75 3hye h LYS 148 N -0.41 0.95 -0.40 4.02 3.64 -1.99 -0.12 116.57 122.26 3hye h LYS 148 Ca -0.45 -0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 58.81 3hye h LYS 148 Cb 1.29 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3hye h LYS 148 CO 0.60 0.63 -0.03 0.93 -2.27 0.00 0.00 179.45 179.31 3hye h GLU 149 N 0.98 0.73 -0.26 1.90 5.08 -1.99 -1.44 114.58 119.58 3hye h GLU 149 Ca 0.35 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3hye h GLU 149 Cb 0.11 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3hye h GLU 149 CO -0.15 0.83 0.11 0.93 -1.00 0.00 0.00 179.01 179.73 3hye h GLU 150 N 0.56 0.39 -0.73 2.33 5.08 -1.83 -1.95 114.58 118.42 3hye h GLU 150 Ca 0.11 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hye h GLU 150 Cb 0.52 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 3hye h GLU 150 CO 0.03 0.42 0.46 1.15 -1.00 0.00 0.00 179.01 180.06 3hye h THR 151 N 0.27 1.20 -0.51 1.13 2.02 -0.96 0.25 112.91 116.32 3hye h THR 151 Ca 0.09 -0.40 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 3hye h THR 151 Cb 0.17 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 3hye h THR 151 CO -0.01 0.20 0.19 0.58 0.37 0.00 0.00 175.52 176.85 3hye h VAL 152 N 0.99 1.19 -0.25 3.16 2.07 -1.15 -1.34 116.25 120.92 3hye h VAL 152 Ca 0.26 -0.61 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 3hye h VAL 152 Cb -0.07 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3hye h VAL 152 CO -0.05 0.24 -0.32 0.44 0.02 0.00 0.00 177.57 177.90 3hye h ASP 153 N 0.73 0.71 0.08 0.57 3.45 -0.44 0.21 116.42 121.73 3hye h ASP 153 Ca 0.17 -0.50 -0.00 0.00 0.43 0.00 0.00 57.03 57.14 3hye h ASP 153 Cb 0.16 -0.20 -0.00 0.00 -0.56 0.00 0.00 39.33 38.73 3hye h ASP 153 CO -0.02 1.07 -0.05 0.15 -1.57 0.00 0.00 179.24 178.82 3hye h PHE 154 N 0.38 -0.13 -0.24 4.55 3.57 -0.26 -0.69 116.94 124.12 3hye h PHE 154 Ca 0.03 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3hye h PHE 154 Cb 0.89 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3hye h PHE 154 CO 0.08 -0.08 0.13 0.82 -2.23 0.00 0.00 178.31 177.03 3hye h ILE 155 N -0.13 1.11 -0.67 1.41 2.04 -1.25 -0.04 117.51 119.98 3hye h ILE 155 Ca -0.01 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3hye h ILE 155 Cb 0.11 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3hye h ILE 155 CO 0.00 0.11 0.40 0.50 0.00 0.00 0.00 178.15 179.17 3hye h LYS 156 N 0.28 0.74 -0.19 2.37 3.64 -0.78 -0.55 116.57 122.08 3hye h LYS 156 Ca 0.09 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 3hye h LYS 156 Cb 0.06 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3hye h LYS 156 CO -0.01 0.49 -0.29 0.45 -2.27 0.00 0.00 179.45 177.81 3hye h HIS 157 N 0.76 0.65 0.37 1.91 3.86 -0.97 -2.01 115.15 119.72 3hye h HIS 157 Ca 0.29 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3hye h HIS 157 Cb 0.10 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3hye h HIS 157 CO -0.06 0.94 -0.28 0.77 0.86 0.00 0.00 177.93 180.16 3hye h SER 158 N 0.18 -0.73 -0.33 2.45 0.02 -0.74 -2.26 113.55 112.15 3hye h SER 158 Ca 0.02 0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3hye h SER 158 Cb 0.87 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 3hye h SER 158 CO 0.07 -0.42 0.08 -0.07 -1.14 0.00 0.00 176.83 175.35 3hye h LEU 159 N -0.65 0.56 -1.49 5.07 3.38 -1.19 -1.27 115.31 119.73 3hye h LEU 159 Ca -0.03 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3hye h LEU 159 Cb 0.56 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3hye h LEU 159 CO -0.00 0.57 -0.10 0.77 0.09 0.00 0.00 178.44 179.77 3hye h SER 160 N 0.59 0.19 -0.16 -0.43 4.64 -1.09 0.25 113.55 117.54 3hye h SER 160 Ca 0.13 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.27 3hye h SER 160 Cb 0.25 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3hye h SER 160 CO -0.00 0.32 -0.48 1.56 -0.87 0.00 0.00 176.83 177.36 3hye h GLN 161 N 0.20 0.61 -0.03 4.77 1.08 -0.73 -1.30 115.11 119.71 3hye h GLN 161 Ca 0.04 -0.44 0.01 0.00 -1.45 0.00 0.00 58.65 56.82 3hye h GLN 161 Cb 0.31 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 3hye h GLN 161 CO 0.02 1.06 -0.04 0.00 -0.95 0.00 0.00 178.83 178.91 3hye h ALA 162 N 0.55 -0.02 -0.51 3.87 0.00 -0.53 -1.86 119.26 120.76 3hye h ALA 162 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hye h ALA 162 Cb 1.10 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3hye h ALA 162 CO 0.10 -0.53 0.33 0.82 0.00 0.00 0.00 179.25 179.97 3hye h ILE 163 N -0.06 1.14 -0.50 0.00 5.03 -0.52 -0.50 117.51 122.09 3hye h ILE 163 Ca 0.03 -0.27 -0.00 0.00 -0.12 0.00 0.00 64.86 64.50 3hye h ILE 163 Cb 0.11 0.40 -0.02 0.00 -3.03 0.00 0.00 36.82 34.27 3hye h ILE 163 CO -0.07 0.14 0.30 0.50 -0.68 0.00 0.00 178.15 178.34 3hye h LYS 164 N 0.70 0.67 0.00 2.37 3.64 -0.43 -3.28 116.57 120.24 3hye h LYS 164 Ca 0.19 -0.06 -0.28 0.00 -1.27 0.00 0.00 60.65 59.22 3hye h LYS 164 Cb -0.06 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.57 3hye h LYS 164 CO -0.04 0.49 -1.86 0.91 -2.27 0.00 0.00 179.45 176.67 3hye n TRP 165 N -4.70 0.68 -3.17 1.91 7.02 -0.92 -4.88 117.44 113.38 3hye n TRP 165 Ca 0.02 0.24 -0.41 0.00 -1.02 0.00 0.00 57.50 56.33 3hye n TRP 165 Cb 0.05 -1.10 -0.07 0.00 -2.42 0.00 0.00 31.31 27.77 3hye n TRP 165 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3hye s ASP 166 N -5.82 6.41 0.57 -0.99 2.15 -0.21 -4.93 116.67 113.86 3hye s ASP 166 Ca -0.06 0.24 0.36 0.00 0.43 0.00 0.00 52.55 53.51 3hye s ASP 166 Cb 0.08 -2.30 1.57 0.00 -0.30 0.00 0.00 42.92 41.96 3hye s ASP 166 CO 0.83 -0.47 2.06 1.23 -0.17 0.00 0.00 175.17 178.64 3hye h GLY 167 N 9.13 0.00 1.27 2.66 0.00 -1.88 -1.68 103.07 112.57 3hye h GLY 167 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3hye h GLY 167 CO 0.79 0.00 -0.07 1.44 0.00 0.00 0.00 176.54 178.70 3hye n SER 168 N -3.10 0.22 -4.44 0.19 7.64 -1.26 -4.81 113.62 108.06 3hye n SER 168 Ca -0.00 -0.31 -0.30 0.00 1.01 0.00 0.00 58.87 59.27 3hye n SER 168 Cb 0.26 -0.18 -0.13 0.00 -1.01 0.00 0.00 64.21 63.16 3hye n SER 168 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3hye s SER 169 N -2.56 3.67 0.00 6.43 0.01 -0.63 -2.28 113.70 118.33 3hye s SER 169 Ca 0.28 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.01 3hye s SER 169 Cb 0.20 -0.50 0.00 0.00 0.21 0.00 0.00 66.02 65.93 3hye s SER 169 CO 0.48 0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.96 3hye n GLY 170 N 1.30 -1.38 4.94 3.44 0.00 -1.26 -4.77 105.19 107.47 3hye n GLY 170 Ca -0.16 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -0.03 0.52 3.93 -0.02 0.00 -1.26 -1.43 105.19 106.90 3hye n GLY 171 Ca 0.00 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 3hye n GLY 171 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hye s VAL 172 N 0.00 3.35 -0.22 1.61 -7.23 -1.26 -4.38 120.40 112.26 3hye s VAL 172 Ca 0.00 -1.17 -0.06 0.00 -1.81 0.00 0.00 61.98 58.94 3hye s VAL 172 Cb 0.00 -3.16 -0.02 0.00 0.56 0.00 0.00 36.38 33.76 3hye s VAL 172 CO 0.00 -0.09 0.02 -0.63 -0.31 0.00 0.00 175.10 174.09 3hye s ILE 173 N -2.32 4.06 0.06 -0.62 1.01 -0.33 -2.70 121.20 120.36 3hye s ILE 173 Ca 0.47 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.88 3hye s ILE 173 Cb -0.07 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 3hye s ILE 173 CO 0.30 0.40 0.06 -0.13 0.00 0.00 0.00 174.94 175.57 3hye s ARG 174 N 1.22 2.87 0.03 2.79 0.52 -0.25 -0.53 118.95 125.60 3hye s ARG 174 Ca 0.04 -0.66 -0.01 0.00 -0.52 0.00 0.00 55.73 54.57 3hye s ARG 174 Cb -0.15 -2.73 -0.02 0.00 0.52 0.00 0.00 34.95 32.57 3hye s ARG 174 CO 0.02 0.58 -0.00 -1.64 0.02 0.00 0.00 175.30 174.28 3hye s MET 175 N -2.17 0.45 -0.09 3.54 -1.94 0.45 -1.20 119.30 118.34 3hye s MET 175 Ca 0.27 -0.80 -0.01 0.00 -1.71 0.00 0.00 55.69 53.44 3hye s MET 175 Cb -0.12 0.16 0.03 0.00 2.01 0.00 0.00 34.83 36.91 3hye s MET 175 CO 0.19 -0.08 -0.02 0.08 -0.01 0.00 0.00 175.02 175.18 3hye s VAL 176 N -2.34 0.56 -0.22 -6.03 1.01 0.41 -1.09 120.40 112.70 3hye s VAL 176 Ca -0.08 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 3hye s VAL 176 Cb -0.03 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 3hye s VAL 176 CO -0.04 0.26 0.29 -0.69 0.00 0.00 0.00 175.10 174.92 3hye s VAL 177 N 1.89 5.27 -0.32 2.92 1.01 0.13 -1.10 120.40 130.20 3hye s VAL 177 Ca 0.05 0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.49 3hye s VAL 177 Cb -0.13 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.71 3hye s VAL 177 CO -0.06 0.29 0.02 -0.76 0.00 0.00 0.00 175.10 174.59 3hye s LEU 178 N 1.22 4.22 0.29 3.92 1.02 -0.10 -1.40 118.68 127.84 3hye s LEU 178 Ca 0.14 -1.65 0.05 0.00 0.02 0.00 0.00 54.13 52.68 3hye s LEU 178 Cb -0.14 -1.67 -0.03 0.00 0.02 0.00 0.00 46.19 44.37 3hye s LEU 178 CO 0.06 -0.32 0.23 0.42 0.02 0.00 0.00 176.35 176.76 3hye s THR 179 N 1.11 0.01 0.47 5.49 -4.23 -1.00 -1.69 115.64 115.80 3hye s THR 179 Ca -0.00 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.64 3hye s THR 179 Cb -0.20 -2.50 0.29 0.00 1.34 0.00 0.00 72.50 71.43 3hye s THR 179 CO -0.04 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.11 3hye h ALA 180 N 2.29 1.94 0.00 3.99 0.00 -1.94 0.06 119.26 125.60 3hye h ALA 180 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hye h ALA 180 Cb 1.24 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hye h ALA 180 CO 0.42 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3hye h ALA 181 N 1.83 1.00 0.00 0.00 0.00 -1.95 -3.48 119.26 116.66 3hye h ALA 181 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hye h ALA 181 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hye h ALA 181 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3hye n GLY 183 N -1.01 0.38 3.04 0.00 0.00 0.01 -5.04 105.19 102.56 3hye n GLY 183 Ca -0.02 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 3hye n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hye s VAL 184 N -1.98 1.50 -0.05 1.61 1.01 -1.26 -2.38 120.40 118.84 3hye s VAL 184 Ca 0.00 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3hye s VAL 184 Cb 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 3hye s VAL 184 CO 0.00 0.44 -0.25 -0.70 0.00 0.00 0.00 175.10 174.60 3hye s GLU 185 N 1.12 2.46 -0.26 2.72 2.12 -0.50 -4.96 118.70 121.41 3hye s GLU 185 Ca -0.04 -0.89 -0.09 0.00 0.36 0.00 0.00 54.97 54.32 3hye s GLU 185 Cb -0.14 -2.11 -0.04 0.00 0.26 0.00 0.00 34.13 32.10 3hye s GLU 185 CO -0.04 0.38 0.11 1.03 -0.54 0.00 0.00 175.26 176.21 3hye s ARG 186 N -0.18 3.76 0.10 4.30 1.81 -1.26 0.17 118.95 127.65 3hye s ARG 186 Ca -0.03 -0.42 0.09 0.00 -1.72 0.00 0.00 55.73 53.65 3hye s ARG 186 Cb -0.13 -3.45 -0.04 0.00 -0.45 0.00 0.00 34.95 30.88 3hye s ARG 186 CO 0.03 -0.18 -0.20 -0.51 -0.68 0.00 0.00 175.30 173.76 3hye s LEU 187 N 1.66 2.60 -0.03 2.53 1.43 -0.25 -4.99 118.68 121.63 3hye s LEU 187 Ca 0.07 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 3hye s LEU 187 Cb -0.15 -1.48 0.01 0.00 0.03 0.00 0.00 46.19 44.60 3hye s LEU 187 CO 0.06 0.20 0.08 -0.51 0.23 0.00 0.00 176.35 176.41 3hye s ILE 18 N -1.08 -0.00 -0.07 -0.59 2.07 -1.26 -0.41 121.20 119.86 3hye s ILE 18 Ca 0.16 0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.43 3hye s ILE 18 Cb -0.10 -0.12 0.02 0.00 0.13 0.00 0.00 42.46 42.38 3hye s ILE 18 CO 0.08 0.00 -0.11 -0.36 -1.91 0.00 0.00 174.94 172.65 3hye s PHE 18 N 0.09 1.43 0.51 3.50 0.08 0.31 -4.97 117.98 118.94 3hye s PHE 18 Ca -0.00 -0.56 -0.08 0.00 0.12 0.00 0.00 56.93 56.41 3hye s PHE 18 Cb -0.01 -1.08 -0.04 0.00 -0.57 0.00 0.00 43.02 41.32 3hye s PHE 18 CO -0.00 -0.32 0.85 0.71 -0.10 0.00 0.00 175.22 176.36 3hye s TYR 18 N 0.86 3.57 0.17 0.36 2.02 -1.26 -1.19 117.35 121.88 3hye s TYR 18 Ca -0.11 0.98 -0.23 0.00 -0.37 0.00 0.00 57.07 57.34 3hye s TYR 18 Cb -0.15 -2.43 0.07 0.00 -0.40 0.00 0.00 41.96 39.05 3hye s TYR 18 CO 0.01 -0.36 1.59 -1.35 -1.57 0.00 0.00 175.55 173.87 3hye h PRO 18 N 0.22 -0.22 -0.32 -1.71 0.11 -1.98 -0.83 132.00 127.27 3hye h PRO 18 Ca -0.46 0.02 0.09 0.00 0.11 0.00 0.00 66.00 65.76 3hye h PRO 18 Cb 1.20 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3hye h PRO 18 CO 0.62 -0.15 0.52 -0.44 -0.21 0.00 0.00 178.00 178.34 3hye h ASP 18 N -0.23 0.00 0.00 -2.05 3.32 -1.96 -0.17 116.42 115.32 3hye h ASP 18 Ca 0.19 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 3hye h ASP 18 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 3hye h ASP 18 CO -0.58 0.00 -0.70 -0.08 -1.72 0.00 0.00 179.24 176.16 3hye h GLU 18 N 0.00 0.00 0.00 3.56 4.81 -1.54 -3.41 114.58 118.00 3hye h GLU 18 Ca 0.15 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 3hye h GLU 18 Cb 1.18 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 3hye h GLU 18 CO -0.00 0.28 -0.04 0.10 -0.73 0.00 0.00 179.01 178.62 3hye h TYR 18 N -1.00 0.00 0.00 0.92 -0.00 -1.20 -3.26 116.97 112.43 3hye h TYR 18 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 58.56 3hye h TYR 18 Cb 0.72 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.44 3hye h TYR 18 CO -0.12 0.04 -0.36 0.93 -0.00 0.00 0.00 178.16 178.64 3hye h GLU 18 N 0.00 0.00 -0.95 0.10 5.08 -1.27 -3.06 114.58 114.48 3hye h GLU 18 Ca -0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3hye h GLU 18 Cb 0.81 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.76 3hye h GLU 18 CO 0.01 0.36 0.66 0.94 -1.00 0.00 0.00 179.01 179.97 3hye n GLN 18 N -4.09 2.46 0.00 2.33 -0.06 -1.23 -5.12 117.38 111.68 3hye n GLN 18 Ca -0.02 -3.19 0.14 0.00 -2.00 0.00 0.00 57.00 51.93 3hye n GLN 18 Cb 0.40 -2.21 0.42 0.00 -4.06 0.00 0.00 30.24 24.79 3hye n GLN 18 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14