#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 1.51 0.02 8.00 0.01 -1.26 -0.80 113.70 121.18 3hye s SER 2 Ca 0.00 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.12 3hye s SER 2 Cb 0.00 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 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 2.18 0.12 0.08 1.44 -4.36 -0.56 -1.51 121.20 118.58 3hye s ILE 3 Ca 0.04 -0.89 -0.24 0.00 -0.26 0.00 0.00 60.65 59.29 3hye s ILE 3 Cb -0.13 -0.26 0.06 0.00 1.25 0.00 0.00 42.46 43.37 3hye s ILE 3 CO -0.06 -0.49 0.58 0.00 0.24 0.00 0.00 174.94 175.21 3hye s MET 4 N -1.43 1.14 -0.03 0.37 0.23 -0.53 -0.70 119.30 118.34 3hye s MET 4 Ca -0.16 -0.25 0.01 0.00 -1.03 0.00 0.00 55.69 54.27 3hye s MET 4 Cb -0.10 0.52 0.01 0.00 -1.53 0.00 0.00 34.83 33.74 3hye s MET 4 CO -0.01 -0.44 -0.05 0.00 -2.03 0.00 0.00 175.02 172.49 3hye s ALA 5 N -2.78 0.65 -0.08 3.16 0.00 -0.30 -0.42 121.76 122.00 3hye s ALA 5 Ca -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.80 3hye s ALA 5 Cb -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.80 3hye s ALA 5 CO -0.04 0.05 -0.08 0.08 0.00 0.00 0.00 175.76 175.76 3hye s VAL 6 N 0.57 0.93 0.27 0.00 1.01 0.39 -0.81 120.40 122.75 3hye s VAL 6 Ca -0.08 -0.30 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 3hye s VAL 6 Cb -0.11 -0.91 -0.08 0.00 0.00 0.00 0.00 36.38 35.27 3hye s VAL 6 CO 0.00 0.33 0.72 0.42 0.00 0.00 0.00 175.10 176.57 3hye s THR 7 N 1.17 4.64 0.28 3.92 -4.23 -0.57 -0.62 115.64 120.24 3hye s THR 7 Ca -0.06 1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 61.53 3hye s THR 7 Cb -0.14 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 69.97 3hye s THR 7 CO -0.02 0.02 0.37 2.22 -0.54 0.00 0.00 174.62 176.67 3hye n PHE 8 N 0.19 -1.18 -0.37 3.99 1.16 -0.09 -4.63 117.46 116.54 3hye n PHE 8 Ca 0.00 -1.89 -0.01 0.00 -1.87 0.00 0.00 57.45 53.67 3hye n PHE 8 Cb 0.52 0.42 0.04 0.00 -1.61 0.00 0.00 39.48 38.84 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 -0.06 3.97 3.64 -1.40 -2.26 116.57 120.45 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 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 3hye h LYS 9 CO 0.29 -0.01 0.00 -0.25 -2.27 0.00 0.00 179.45 177.21 3hye n ASP 10 N -5.47 1.78 0.00 4.20 10.43 -1.26 -4.94 116.55 121.29 3hye n ASP 10 Ca 0.10 -1.62 0.00 0.00 2.57 0.00 0.00 54.79 55.84 3hye n ASP 10 Cb 0.40 -0.03 0.00 0.00 1.84 0.00 0.00 41.12 43.33 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 1.20 -0.14 3.48 0.44 0.00 -0.85 -4.25 105.19 105.07 3hye n GLY 11 Ca 0.18 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.02 1.61 0.11 -0.64 -0.91 120.40 120.55 3hye s VAL 12 Ca 0.00 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.03 3hye s VAL 12 Cb 0.00 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.93 3hye s VAL 12 CO 0.00 -0.04 -0.21 -0.63 -3.33 0.00 0.00 175.10 170.89 3hye s ILE 13 N -0.85 1.67 -0.01 7.04 1.01 0.21 -0.76 121.20 129.51 3hye s ILE 13 Ca -0.09 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.69 3hye s ILE 13 Cb -0.02 -1.39 -0.03 0.00 0.01 0.00 0.00 42.46 41.03 3hye s ILE 13 CO 0.07 0.47 -0.05 -0.76 0.00 0.00 0.00 174.94 174.67 3hye s LEU 14 N -0.44 3.24 0.04 2.97 1.02 -0.27 -0.46 118.68 124.77 3hye s LEU 14 Ca 0.07 -0.09 -0.01 0.00 0.02 0.00 0.00 54.13 54.12 3hye s LEU 14 Cb -0.09 -1.82 -0.03 0.00 0.02 0.00 0.00 46.19 44.27 3hye s LEU 14 CO -0.00 0.30 -0.01 -0.83 0.02 0.00 0.00 176.35 175.83 3hye s GLY 15 N -1.30 0.35 0.01 -3.19 0.00 0.45 -0.44 107.32 103.19 3hye s GLY 15 Ca 0.16 -0.91 -0.28 0.00 0.00 0.00 0.00 44.72 43.69 3hye s GLY 15 CO 0.07 -1.01 0.84 0.00 0.00 0.00 0.00 173.10 172.99 3hye s ALA 16 N -2.92 -1.79 0.84 3.20 0.00 -0.42 -1.46 121.76 119.21 3hye s ALA 16 Ca -0.02 0.96 -0.07 0.00 0.00 0.00 0.00 51.96 52.82 3hye s ALA 16 Cb 0.01 0.43 0.17 0.00 0.00 0.00 0.00 23.12 23.72 3hye s ALA 16 CO -0.06 -0.68 1.15 0.16 0.00 0.00 0.00 175.76 176.33 3hye s ASP 17 N -2.43 3.74 -0.16 0.00 -4.77 -0.57 -1.18 116.67 111.29 3hye s ASP 17 Ca 0.04 -0.13 0.14 0.00 -3.30 0.00 0.00 52.55 49.30 3hye s ASP 17 Cb -0.01 -0.07 0.40 0.00 -1.09 0.00 0.00 42.92 42.15 3hye s ASP 17 CO -0.09 -2.29 1.20 -1.54 0.70 0.00 0.00 175.17 173.15 3hye n SER 18 N -3.27 1.60 -4.62 2.11 3.41 -0.51 -4.55 113.62 107.79 3hye n SER 18 Ca 0.16 -3.47 -0.34 0.00 -0.26 0.00 0.00 58.87 54.95 3hye n SER 18 Cb 0.60 -0.47 -0.10 0.00 -0.26 0.00 0.00 64.21 63.98 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 -2.57 3.68 -0.10 4.33 3.52 -1.17 -0.65 118.95 125.98 3hye s ARG 19 Ca 0.36 -0.39 0.02 0.00 -0.13 0.00 0.00 55.73 55.60 3hye s ARG 19 Cb 0.36 -3.05 0.01 0.00 -1.56 0.00 0.00 34.95 30.71 3hye s ARG 19 CO -0.08 0.38 -0.17 0.95 -0.81 0.00 0.00 175.30 175.57 3hye s THR 20 N 0.04 1.59 0.16 4.11 -4.23 -0.32 -4.72 115.64 112.27 3hye s THR 20 Ca 0.04 -0.72 0.11 0.00 -1.18 0.00 0.00 61.69 59.94 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 0.01 0.46 -0.24 0.42 -0.54 0.00 0.00 174.62 174.73 3hye s THR 21 N 0.77 2.23 -0.50 3.99 -4.23 -1.26 -0.75 115.64 115.89 3hye s THR 21 Ca -0.11 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.53 3hye s THR 21 Cb -0.16 -2.02 0.14 0.00 1.34 0.00 0.00 72.50 71.81 3hye s THR 21 CO 0.02 -0.06 0.30 0.42 -0.54 0.00 0.00 174.62 174.75 3hye s THR 22 N -1.47 1.77 0.00 3.99 -4.23 -0.54 -4.88 115.64 110.28 3hye s THR 22 Ca 0.17 -3.02 0.00 0.00 -1.18 0.00 0.00 61.69 57.67 3hye s THR 22 Cb -0.09 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.54 3hye s THR 22 CO 0.08 -0.93 0.00 0.61 -0.54 0.00 0.00 174.62 173.83 3hye n GLY 23 N 3.11 0.40 0.04 3.99 0.00 -1.26 -3.07 105.19 108.40 3hye n GLY 23 Ca 0.12 -0.78 0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 8.96 3.10 -2.16 4.61 0.00 -1.26 -4.88 120.51 128.88 3hye n ALA 24 Ca 0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 3hye n ALA 24 Cb 0.00 -1.15 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 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 -3.13 3.84 -0.57 0.00 5.04 -1.18 -5.00 117.35 116.35 3hye s TYR 25 Ca 0.07 1.69 -0.21 0.00 -2.44 0.00 0.00 57.07 56.18 3hye s TYR 25 Cb 0.15 -2.91 0.07 0.00 0.35 0.00 0.00 41.96 39.61 3hye s TYR 25 CO 0.72 0.33 0.78 0.42 -1.34 0.00 0.00 175.55 176.46 3hye s ILE 26 N -0.45 4.65 0.29 3.14 1.01 -1.26 -1.47 121.20 127.10 3hye s ILE 26 Ca 0.41 -0.48 0.04 0.00 0.00 0.00 0.00 60.65 60.62 3hye s ILE 26 Cb -0.23 -4.48 0.05 0.00 0.01 0.00 0.00 42.46 37.81 3hye s ILE 26 CO 0.27 -1.10 1.71 0.00 0.00 0.00 0.00 174.94 175.83 3hye h ALA 27 N 9.23 1.10 -2.81 9.38 0.00 -1.28 -3.43 119.26 131.46 3hye h ALA 27 Ca -0.28 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 3hye h ALA 27 Cb 1.08 -0.10 -0.29 0.00 0.00 0.00 0.00 17.79 18.48 3hye h ALA 27 CO 1.07 0.57 -0.43 1.21 0.00 0.00 0.00 179.25 181.67 3hye s ASN 28 N -6.85 -0.19 0.00 0.00 3.84 -1.11 -5.01 114.94 105.62 3hye s ASN 28 Ca -0.06 0.71 0.17 0.00 0.21 0.00 0.00 52.86 53.89 3hye s ASN 28 Cb 0.14 0.71 0.12 0.00 -0.55 0.00 0.00 41.25 41.67 3hye s ASN 28 CO 0.78 -0.20 1.03 -2.11 -2.79 0.00 0.00 177.10 173.81 3hye n ARG 29 N 4.66 1.42 -1.67 0.43 1.85 -1.26 -1.18 116.66 120.92 3hye n ARG 29 Ca -0.18 -1.46 -0.05 0.00 -1.00 0.00 0.00 57.85 55.17 3hye n ARG 29 Cb 0.52 -1.33 0.08 0.00 -1.05 0.00 0.00 32.46 30.69 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 0.86 1.66 -1.98 8.89 0.24 -1.08 -4.32 118.33 122.60 3hye n VAL 30 Ca 0.10 -3.01 -0.37 0.00 -2.04 0.00 0.00 64.34 59.02 3hye n VAL 30 Cb 0.42 0.07 0.03 0.00 -1.47 0.00 0.00 33.84 32.89 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 -3.10 2.53 -0.48 3.34 2.01 0.18 -5.00 115.64 115.12 3hye s THR 31 Ca 0.39 0.37 -0.05 0.00 0.31 0.00 0.00 61.69 62.71 3hye s THR 31 Cb 0.38 -3.17 0.13 0.00 0.01 0.00 0.00 72.50 69.84 3hye s THR 31 CO -0.05 -0.03 0.31 -0.62 -0.69 0.00 0.00 174.62 173.53 3hye s ASP 32 N -1.32 5.41 0.00 3.53 3.68 -1.26 -4.40 116.67 122.32 3hye s ASP 32 Ca 0.72 -2.19 0.21 0.00 2.13 0.00 0.00 52.55 53.42 3hye s ASP 32 Cb -0.34 -1.89 0.90 0.00 -1.45 0.00 0.00 42.92 40.14 3hye s ASP 32 CO 0.39 -0.55 1.62 0.29 0.13 0.00 0.00 175.17 177.05 3hye n LYS 33 N 4.44 1.48 -3.56 4.34 5.02 -1.26 -4.70 118.16 123.91 3hye n LYS 33 Ca -0.01 -0.73 -0.41 0.00 -2.02 0.00 0.00 58.31 55.14 3hye n LYS 33 Cb 0.41 -1.37 -0.11 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.60 4.75 -0.09 -0.35 1.43 -1.26 -1.93 118.68 119.64 3hye s LEU 34 Ca 0.31 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.55 3hye s LEU 34 Cb 0.16 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.30 3hye s LEU 34 CO 0.25 -0.37 -0.16 -0.89 0.23 0.00 0.00 176.35 175.40 3hye s THR 35 N 1.60 2.82 -0.13 5.49 2.01 -0.51 -4.95 115.64 121.97 3hye s THR 35 Ca 0.03 -0.78 -0.22 0.00 0.31 0.00 0.00 61.69 61.03 3hye s THR 35 Cb -0.19 -2.12 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 3hye s THR 35 CO 0.08 0.56 0.67 -0.60 -0.69 0.00 0.00 174.62 174.64 3hye s ARG 36 N -0.14 4.34 0.00 4.92 3.52 -1.26 -0.24 118.95 130.09 3hye s ARG 36 Ca -0.02 0.77 0.05 0.00 -0.13 0.00 0.00 55.73 56.40 3hye s ARG 36 Cb -0.14 -3.50 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 3hye s ARG 36 CO 0.04 -0.07 0.33 1.33 -0.81 0.00 0.00 175.30 176.12 3hye n VAL 37 N 4.18 0.00 -3.55 7.11 0.24 -0.66 -4.91 118.33 120.74 3hye n VAL 37 Ca -0.01 -0.42 -0.07 0.00 -2.04 0.00 0.00 64.34 61.80 3hye n VAL 37 Cb 0.50 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.89 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 -1.14 -0.26 0.23 6.34 5.65 -0.78 -4.45 115.29 120.89 3hye s HIS 38 Ca 0.03 0.14 -0.17 0.00 0.25 0.00 0.00 55.06 55.32 3hye s HIS 38 Cb 0.04 0.53 0.26 0.00 -1.18 0.00 0.00 32.58 32.23 3hye s HIS 38 CO 0.15 -0.44 1.56 -0.44 -0.65 0.00 0.00 174.74 174.92 3hye h ASP 39 N 2.00 -1.36 -0.25 9.88 3.32 -2.01 -2.32 116.42 125.68 3hye h ASP 39 Ca -0.18 0.30 -0.19 0.00 0.02 0.00 0.00 57.03 56.99 3hye h ASP 39 Cb 1.21 0.73 -0.16 0.00 0.22 0.00 0.00 39.33 41.33 3hye h ASP 39 CO 0.28 -0.29 -0.64 0.29 -1.72 0.00 0.00 179.24 177.15 3hye n LYS 40 N -5.49 2.16 -3.71 3.56 5.02 -1.26 -4.92 118.16 113.53 3hye n LYS 40 Ca 0.10 -3.53 -0.27 0.00 -2.02 0.00 0.00 58.31 52.60 3hye n LYS 40 Cb 0.41 -1.75 -0.17 0.00 -0.02 0.00 0.00 35.03 33.50 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 -3.54 0.38 0.47 -0.18 1.01 -0.87 -0.52 121.20 117.94 3hye s ILE 41 Ca 0.42 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.65 3hye s ILE 41 Cb 0.38 -0.91 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 3hye s ILE 41 CO -0.04 -0.22 0.01 0.26 0.00 0.00 0.00 174.94 174.95 3hye s TRP 42 N 1.93 2.09 0.06 3.97 0.52 0.47 -1.65 118.94 126.33 3hye s TRP 42 Ca -0.00 -0.87 -0.03 0.00 0.02 0.00 0.00 56.10 55.21 3hye s TRP 42 Cb -0.17 -1.64 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 3hye s TRP 42 CO -0.08 0.28 0.04 0.00 0.02 0.00 0.00 176.95 177.21 3hye s ARG 45 N 0.31 3.23 0.05 0.00 0.52 -0.81 -1.43 118.95 120.81 3hye s ARG 45 Ca -0.06 -0.46 -0.08 0.00 -0.52 0.00 0.00 55.73 54.61 3hye s ARG 45 Cb -0.15 -2.82 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 3hye s ARG 45 CO 0.04 0.52 0.15 -1.54 0.02 0.00 0.00 175.30 174.49 3hye s SER 46 N -0.39 0.13 0.00 0.23 1.04 -0.64 -4.93 113.70 109.14 3hye s SER 46 Ca 0.07 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.96 3hye s SER 46 Cb -0.12 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.28 3hye s SER 46 CO 0.02 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.26 3hye n GLY 47 N 0.46 0.95 3.70 7.32 0.00 -1.26 -0.84 105.19 115.52 3hye n GLY 47 Ca -0.17 -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 7.17 0.09 1.61 0.15 0.55 -4.93 113.70 114.33 3hye s SER 48 Ca 0.00 1.81 -0.17 0.00 0.70 0.00 0.00 55.95 58.29 3hye s SER 48 Cb 0.00 -2.57 -0.08 0.00 -1.71 0.00 0.00 66.02 61.66 3hye s SER 48 CO 0.00 -0.43 1.47 0.00 1.20 0.00 0.00 173.24 175.48 3hye h ALA 49 N 6.99 0.37 -0.43 5.45 0.00 -1.91 -0.77 119.26 128.97 3hye h ALA 49 Ca -0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 3hye h ALA 49 Cb 1.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3hye h ALA 49 CO 0.82 0.20 0.24 0.00 0.00 0.00 0.00 179.25 180.50 3hye h ALA 50 N 0.76 0.55 -0.00 0.00 0.00 -1.97 -1.64 119.26 116.96 3hye h ALA 50 Ca 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hye h ALA 50 Cb 0.56 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hye h ALA 50 CO 0.03 0.06 0.00 -0.44 0.00 0.00 0.00 179.25 178.90 3hye h ASP 51 N 0.56 0.01 -0.28 0.00 3.32 -1.87 -2.25 116.42 115.91 3hye h ASP 51 Ca 0.15 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3hye h ASP 51 Cb 0.04 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3hye h ASP 51 CO -0.03 0.24 0.08 0.71 -1.72 0.00 0.00 179.24 178.52 3hye h THR 52 N -0.23 1.17 0.21 0.35 1.35 -1.09 -0.36 112.91 114.32 3hye h THR 52 Ca 0.00 -0.62 -0.01 0.00 -0.55 0.00 0.00 66.41 65.23 3hye h THR 52 Cb 0.24 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.48 3hye h THR 52 CO 0.00 0.22 -0.10 1.56 -0.25 0.00 0.00 175.52 176.95 3hye h GLN 53 N 0.52 -0.28 -0.86 4.72 4.20 -1.25 0.96 115.11 123.12 3hye h GLN 53 Ca 0.12 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.94 3hye h GLN 53 Cb 0.22 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 3hye h GLN 53 CO -0.00 0.02 0.51 0.00 -0.67 0.00 0.00 178.83 178.69 3hye h ALA 54 N 0.13 1.23 0.43 3.87 0.00 -1.14 0.29 119.26 124.07 3hye h ALA 54 Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hye h ALA 54 Cb 0.42 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hye h ALA 54 CO 0.05 0.16 -0.21 0.82 0.00 0.00 0.00 179.25 180.07 3hye h ILE 55 N 0.87 0.56 -0.30 0.00 2.04 -0.94 -1.98 117.51 117.77 3hye h ILE 55 Ca 0.41 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 66.07 3hye h ILE 55 Cb 0.34 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 3hye h ILE 55 CO -0.23 0.05 -0.13 0.00 0.00 0.00 0.00 178.15 177.83 3hye h ALA 56 N -0.24 0.11 -0.72 1.87 0.00 -0.21 0.63 119.26 120.69 3hye h ALA 56 Ca -0.06 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.08 3hye h ALA 56 Cb 0.52 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.57 3hye h ALA 56 CO 0.10 -0.53 0.33 -0.44 0.00 0.00 0.00 179.25 178.71 3hye h ASP 57 N -0.09 0.37 -0.23 0.00 3.45 -0.41 0.99 116.42 120.50 3hye h ASP 57 Ca 0.15 0.08 -0.14 0.00 0.43 0.00 0.00 57.03 57.56 3hye h ASP 57 Cb 0.32 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 3hye h ASP 57 CO -0.36 0.19 -0.35 0.40 -1.57 0.00 0.00 179.24 177.55 3hye h ILE 58 N 0.52 1.28 -0.41 0.35 2.04 -0.48 -1.74 117.51 119.08 3hye h ILE 58 Ca 0.38 -1.51 -0.02 0.00 1.00 0.00 0.00 64.86 64.71 3hye h ILE 58 Cb 0.48 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 3hye h ILE 58 CO -0.33 0.49 0.19 0.58 0.00 0.00 0.00 178.15 179.09 3hye h VAL 59 N 0.63 1.18 -0.56 1.67 2.07 0.19 -0.04 116.25 121.39 3hye h VAL 59 Ca 0.06 -0.51 0.04 0.00 0.82 0.00 0.00 66.70 67.11 3hye h VAL 59 Cb 0.89 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3hye h VAL 59 CO 0.08 0.19 0.31 -0.61 0.02 0.00 0.00 177.57 177.57 3hye h GLN 60 N 0.53 0.59 -0.19 1.57 4.15 -0.72 0.14 115.11 121.17 3hye h GLN 60 Ca 0.14 -0.04 0.02 0.00 0.77 0.00 0.00 58.65 59.55 3hye h GLN 60 Cb 0.13 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 3hye h GLN 60 CO -0.02 0.39 0.04 -0.92 -1.93 0.00 0.00 178.83 176.40 3hye h TYR 61 N 0.61 0.08 -0.52 3.99 3.20 -0.89 -0.84 116.97 122.60 3hye h TYR 61 Ca 0.24 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.12 3hye h TYR 61 Cb 0.09 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.33 3hye h TYR 61 CO -0.08 0.03 0.34 0.45 -1.64 0.00 0.00 178.16 177.26 3hye h HIS 62 N 0.12 0.65 0.00 -3.82 3.86 -0.12 -1.92 115.15 113.93 3hye h HIS 62 Ca 0.09 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.26 3hye h HIS 62 Cb 0.07 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3hye h HIS 62 CO -0.13 0.41 -0.24 -0.07 0.86 0.00 0.00 177.93 178.76 3hye h LEU 63 N 0.70 0.00 -0.10 2.43 3.38 -0.55 0.34 115.31 121.51 3hye h LEU 63 Ca 0.19 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 3hye h LEU 63 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3hye h LEU 63 CO -0.04 0.24 -0.39 -0.08 0.09 0.00 0.00 178.44 178.25 3hye h GLU 64 N 0.00 0.45 -0.08 1.13 4.81 -0.69 -0.51 114.58 119.69 3hye h GLU 64 Ca -0.00 -0.34 -0.10 0.00 -0.13 0.00 0.00 59.36 58.78 3hye h GLU 64 Cb 0.67 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3hye h GLU 64 CO 0.03 0.97 -0.42 1.25 -0.73 0.00 0.00 179.01 180.11 3hye h LEU 65 N 0.02 0.19 0.09 1.64 5.85 -1.16 -1.74 115.31 120.19 3hye h LEU 65 Ca -0.02 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3hye h LEU 65 Cb 1.03 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.00 3hye h LEU 65 CO 0.08 0.59 -0.04 0.22 -0.34 0.00 0.00 178.44 178.95 3hye h TYR 66 N 0.15 -0.11 -0.39 1.25 3.20 -0.83 -2.88 116.97 117.36 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 0.81 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.07 3hye h TYR 66 CO 0.01 0.09 0.12 1.15 -1.64 0.00 0.00 178.16 177.90 3hye h THR 67 N -0.31 0.86 -0.74 1.81 2.02 -0.87 0.47 112.91 116.15 3hye h THR 67 Ca -0.01 -0.09 0.17 0.00 0.77 0.00 0.00 66.41 67.25 3hye h THR 67 Cb 0.26 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3hye h THR 67 CO 0.02 0.05 0.51 0.28 0.37 0.00 0.00 175.52 176.75 3hye h SER 68 N 0.27 0.24 0.00 4.18 0.02 -1.24 -0.12 113.55 116.91 3hye h SER 68 Ca 0.18 0.02 -0.42 0.00 -0.84 0.00 0.00 61.79 60.73 3hye h SER 68 Cb 0.18 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.62 3hye h SER 68 CO -0.20 0.12 -2.49 0.00 -1.14 0.00 0.00 176.83 173.11 3hye n GLN 69 N -4.43 0.61 -0.08 3.45 6.02 -0.66 -4.74 117.38 117.55 3hye n GLN 69 Ca 0.15 0.20 0.03 0.00 -0.01 0.00 0.00 57.00 57.36 3hye n GLN 69 Cb 0.64 -1.50 0.07 0.00 1.02 0.00 0.00 30.24 30.47 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 -3.69 0.18 -1.40 1.08 4.02 0.16 -5.11 117.16 112.39 3hye n TYR 70 Ca -0.49 -0.55 0.00 0.00 -0.01 0.00 0.00 57.90 56.85 3hye n TYR 70 Cb 0.94 -0.06 -0.00 0.00 -0.02 0.00 0.00 39.34 40.20 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 -0.26 -2.21 3.62 2.72 0.00 -0.06 -4.89 105.19 104.11 3hye n GLY 72 Ca 0.06 -1.50 -0.49 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 -0.69 0.17 -3.14 2.61 -1.04 -1.26 -3.80 114.28 107.13 3hye n THR 73 Ca 0.00 -0.04 -0.33 0.00 -2.04 0.00 0.00 64.05 61.64 3hye n THR 73 Cb 0.01 -1.08 -0.06 0.00 -1.82 0.00 0.00 70.33 67.37 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 0.44 4.01 0.56 -2.82 0.04 -1.26 -5.02 135.00 130.95 3hye s PRO 74 Ca 0.80 0.68 -0.16 0.00 0.04 0.00 0.00 61.00 62.36 3hye s PRO 74 Cb -0.84 -2.45 -0.06 0.00 0.04 0.00 0.00 34.50 31.20 3hye s PRO 74 CO 0.45 0.17 1.03 -1.54 0.04 0.00 0.00 177.00 177.14 3hye s SER 75 N -2.24 6.16 0.40 6.66 1.04 -1.26 -4.90 113.70 119.55 3hye s SER 75 Ca 0.54 1.71 0.09 0.00 0.48 0.00 0.00 55.95 58.76 3hye s SER 75 Cb -0.10 -2.52 0.86 0.00 0.10 0.00 0.00 66.02 64.35 3hye s SER 75 CO 0.17 -0.90 1.99 0.74 0.98 0.00 0.00 173.24 176.22 3hye h THR 76 N 0.66 1.01 -0.58 2.02 2.02 -1.95 -0.54 112.91 115.55 3hye h THR 76 Ca -0.47 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 66.47 3hye h THR 76 Cb 1.20 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 3hye h THR 76 CO 0.59 0.11 0.22 -0.08 0.37 0.00 0.00 175.52 176.73 3hye h GLU 77 N 0.60 0.87 -0.71 6.66 4.81 -1.99 -1.10 114.58 123.73 3hye h GLU 77 Ca 0.26 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 3hye h GLU 77 Cb 0.25 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3hye h GLU 77 CO -0.07 0.76 0.31 1.15 -0.73 0.00 0.00 179.01 180.42 3hye h THR 78 N 0.80 1.23 -0.35 0.32 2.02 -1.49 -0.97 112.91 114.46 3hye h THR 78 Ca 0.19 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 3hye h THR 78 Cb 0.22 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3hye h THR 78 CO -0.01 0.29 0.05 0.00 0.37 0.00 0.00 175.52 176.21 3hye h ALA 79 N 1.33 0.47 0.00 6.16 0.00 -0.93 -1.94 119.26 124.35 3hye h ALA 79 Ca 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3hye h ALA 79 Cb 0.15 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hye h ALA 79 CO -0.03 0.18 -0.14 0.00 0.00 0.00 0.00 179.25 179.26 3hye h ALA 80 N 0.90 1.64 -0.17 0.00 0.00 -0.88 -1.88 119.26 118.87 3hye h ALA 80 Ca 0.11 -0.13 -0.21 0.00 0.00 0.00 0.00 54.91 54.68 3hye h ALA 80 Cb 0.37 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hye h ALA 80 CO 0.01 0.17 -0.72 1.03 0.00 0.00 0.00 179.25 179.74 3hye h SER 81 N 0.00 0.86 -0.51 0.00 0.87 -0.71 -0.30 113.55 113.76 3hye h SER 81 Ca -0.00 -0.54 -0.11 0.00 -1.23 0.00 0.00 61.79 59.91 3hye h SER 81 Cb 0.27 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3hye h SER 81 CO 0.02 1.32 -0.11 0.58 -0.53 0.00 0.00 176.83 178.11 3hye h VAL 82 N 0.52 1.27 -0.09 2.23 2.07 -0.74 -0.04 116.25 121.47 3hye h VAL 82 Ca -0.03 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 3hye h VAL 82 Cb 1.33 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3hye h VAL 82 CO 0.15 0.44 0.05 -0.26 0.02 0.00 0.00 177.57 177.96 3hye h PHE 83 N 0.89 0.12 0.01 1.57 0.04 -1.28 -2.76 116.94 115.53 3hye h PHE 83 Ca 0.14 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.93 3hye h PHE 83 Cb 0.67 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 3hye h PHE 83 CO 0.04 0.17 -0.16 -0.22 -0.60 0.00 0.00 178.31 177.54 3hye h LYS 84 N 0.04 -0.27 -0.67 1.51 3.11 -0.78 -0.94 116.57 118.56 3hye h LYS 84 Ca 0.03 0.02 0.14 0.00 -2.81 0.00 0.00 60.65 58.02 3hye h LYS 84 Cb 0.09 0.06 -0.13 0.00 -1.00 0.00 0.00 32.23 31.25 3hye h LYS 84 CO -0.00 -0.18 -0.15 1.49 -2.81 0.00 0.00 179.45 177.79 3hye h GLU 85 N -0.28 0.01 -0.30 1.90 4.57 -0.89 0.36 114.58 119.95 3hye h GLU 85 Ca 0.05 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 3hye h GLU 85 Cb 0.34 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3hye h GLU 85 CO -0.15 0.01 0.10 -0.07 -1.18 0.00 0.00 179.01 177.72 3hye h LEU 86 N 0.01 0.43 -0.52 1.64 3.38 -1.16 -1.99 115.31 117.10 3hye h LEU 86 Ca 0.33 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 3hye h LEU 86 Cb 0.50 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3hye h LEU 86 CO -0.68 0.51 -0.39 0.00 0.09 0.00 0.00 178.44 177.97 3hye h TYR 88 N 0.63 -0.07 0.00 0.00 5.03 -0.35 -2.37 116.97 119.85 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 0.94 0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.24 3hye h TYR 88 CO 0.05 0.54 -0.04 1.49 -1.32 0.00 0.00 178.16 178.88 3hye h GLU 89 N -0.78 0.00 -0.01 1.82 4.57 -1.46 -2.67 114.58 116.05 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 0.64 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 3hye h GLU 89 CO 0.01 0.04 -0.41 0.09 -1.18 0.00 0.00 179.01 177.57 3hye n ASN 90 N -3.46 1.84 -0.17 1.04 3.02 -1.00 -4.82 115.26 111.71 3hye n ASN 90 Ca -0.02 -3.77 0.21 0.00 -0.03 0.00 0.00 54.58 50.97 3hye n ASN 90 Cb 0.16 -0.52 0.60 0.00 -0.61 0.00 0.00 39.78 39.41 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 0.84 0.22 0.00 3.52 2.10 -1.05 -1.72 116.57 120.47 3hye h LYS 91 Ca 0.00 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.58 3hye h LYS 91 Cb 1.01 -0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 32.29 3hye h LYS 91 CO 0.01 0.14 -0.30 -0.44 -2.00 0.00 0.00 179.45 176.86 3hye h ASP 92 N 0.22 0.00 -0.16 7.07 3.45 -1.87 -3.25 116.42 121.88 3hye h ASP 92 Ca 0.41 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.87 3hye h ASP 92 Cb 1.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 3hye h ASP 92 CO -0.09 0.30 0.00 0.59 -1.57 0.00 0.00 179.24 178.47 3hye n ASN 94 N -3.79 2.34 -4.30 6.45 3.02 -0.68 -5.02 115.26 113.28 3hye n ASN 94 Ca -0.01 -1.88 -0.26 0.00 -0.03 0.00 0.00 54.58 52.40 3hye n ASN 94 Cb 0.39 -0.11 -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 -0.92 2.27 -0.43 3.41 1.43 -1.00 -5.07 118.68 118.38 3hye s LEU 95 Ca 0.12 -0.66 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3hye s LEU 95 Cb 0.06 -0.99 0.14 0.00 0.03 0.00 0.00 46.19 45.43 3hye s LEU 95 CO 0.08 0.11 0.24 -0.89 0.23 0.00 0.00 176.35 176.13 3hye s THR 96 N -1.05 1.13 -0.06 5.49 2.01 -1.26 -4.88 115.64 117.03 3hye s THR 96 Ca 0.08 -2.43 -0.02 0.00 0.31 0.00 0.00 61.69 59.63 3hye s THR 96 Cb -0.10 -1.79 0.04 0.00 0.01 0.00 0.00 72.50 70.66 3hye s THR 96 CO 0.04 -0.93 0.10 0.00 -0.69 0.00 0.00 174.62 173.14 3hye s ALA 97 N 0.44 0.01 -0.35 7.40 0.00 -1.26 -0.33 121.76 127.67 3hye s ALA 97 Ca 0.19 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.51 3hye s ALA 97 Cb -0.22 -0.63 0.07 0.00 0.00 0.00 0.00 23.12 22.33 3hye s ALA 97 CO -0.01 -0.44 0.10 0.20 0.00 0.00 0.00 175.76 175.61 3hye s GLY 98 N 1.98 1.85 -0.07 0.00 0.00 -0.02 -4.12 107.32 106.95 3hye s GLY 98 Ca 0.01 -1.99 0.05 0.00 0.00 0.00 0.00 44.72 42.79 3hye s GLY 98 CO -0.04 0.82 -0.23 -0.42 0.00 0.00 0.00 173.10 173.23 3hye s ILE 99 N 1.27 2.27 -0.23 0.90 1.01 -0.45 -1.62 121.20 124.36 3hye s ILE 99 Ca -0.00 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 3hye s ILE 99 Cb -0.21 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 3hye s ILE 99 CO -0.01 0.57 0.05 -0.63 0.00 0.00 0.00 174.94 174.92 3hye s ILE 100 N -0.12 4.27 -0.18 2.92 -1.09 -0.52 0.12 121.20 126.60 3hye s ILE 100 Ca -0.04 -0.20 -0.07 0.00 -2.23 0.00 0.00 60.65 58.11 3hye s ILE 100 Cb -0.14 -2.97 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 3hye s ILE 100 CO 0.04 0.38 0.06 -0.69 -1.23 0.00 0.00 174.94 173.50 3hye s VAL 101 N 1.30 4.82 -0.03 2.92 1.01 0.16 0.47 120.40 131.06 3hye s VAL 101 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.01 3hye s VAL 101 Cb -0.15 -3.17 0.02 0.00 0.00 0.00 0.00 36.38 33.09 3hye s VAL 101 CO 0.03 0.47 -0.01 0.00 0.00 0.00 0.00 175.10 175.59 3hye s ALA 102 N 0.29 0.33 0.09 5.51 0.00 0.02 -0.83 121.76 127.17 3hye s ALA 102 Ca 0.04 0.11 -0.08 0.00 0.00 0.00 0.00 51.96 52.03 3hye s ALA 102 Cb -0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 3hye s ALA 102 CO 0.00 -0.04 0.17 0.20 0.00 0.00 0.00 175.76 176.08 3hye s GLY 103 N 0.84 0.19 -0.20 0.00 0.00 -0.97 -0.39 107.32 106.78 3hye s GLY 103 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3hye s GLY 103 CO -0.01 -0.89 -0.15 -0.47 0.00 0.00 0.00 173.10 171.58 3hye s TYR 104 N -3.88 2.89 0.18 1.90 6.14 0.32 -1.63 117.35 123.28 3hye s TYR 104 Ca 0.07 -1.59 0.08 0.00 0.64 0.00 0.00 57.07 56.26 3hye s TYR 104 Cb 0.05 -1.97 -0.04 0.00 0.42 0.00 0.00 41.96 40.42 3hye s TYR 104 CO -0.10 -0.76 -0.01 0.34 0.64 0.00 0.00 175.55 175.66 3hye s ASP 105 N 1.31 4.71 0.04 4.32 2.15 0.18 -4.85 116.67 124.53 3hye s ASP 105 Ca 0.03 -0.43 -0.06 0.00 0.43 0.00 0.00 52.55 52.52 3hye s ASP 105 Cb -0.14 -0.98 -0.30 0.00 -0.30 0.00 0.00 42.92 41.20 3hye s ASP 105 CO -0.10 0.09 1.00 -0.78 -0.17 0.00 0.00 175.17 175.21 3hye h ASP 10 N 2.67 0.50 0.00 -0.34 3.58 -2.00 0.43 116.42 121.27 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 0.58 1.47 -0.45 0.50 -2.88 0.00 0.00 179.24 178.46 3hye h LYS 10 N 0.09 0.30 -0.00 0.28 3.11 -2.05 -3.35 116.57 114.95 3hye h LYS 10 Ca -0.20 -0.33 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 1.03 -0.64 0.09 -2.81 0.00 0.00 179.45 177.32 3hye n ASN 106 N -4.34 0.69 0.00 4.20 3.02 -1.25 -5.06 115.26 112.51 3hye n ASN 106 Ca -0.10 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.94 3hye n ASN 106 Cb 0.60 0.47 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 -1.45 0.00 -2.90 3.52 4.81 0.15 -4.68 118.16 117.60 3hye n LYS 107 Ca 0.05 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.11 3hye n LYS 107 Cb 0.34 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.32 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 -1.13 2.85 0.01 3.14 0.00 -1.25 -0.64 107.32 110.29 3hye s GLY 108 Ca 0.00 0.41 -0.01 0.00 0.00 0.00 0.00 44.72 45.12 3hye s GLY 108 CO 0.00 0.88 0.00 -0.54 0.00 0.00 0.00 173.10 173.44 3hye s GLU 109 N -1.63 0.25 -0.06 2.90 2.02 -0.65 -4.93 118.70 116.60 3hye s GLU 109 Ca 0.43 -0.40 0.01 0.00 0.02 0.00 0.00 54.97 55.03 3hye s GLU 109 Cb -0.21 0.09 0.02 0.00 0.10 0.00 0.00 34.13 34.13 3hye s GLU 109 CO 0.25 -0.04 -0.07 0.08 0.02 0.00 0.00 175.26 175.49 3hye s VAL 110 N -1.03 0.79 -0.08 2.63 1.01 -1.25 -2.30 120.40 120.17 3hye s VAL 110 Ca -0.11 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3hye s VAL 110 Cb -0.07 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.55 3hye s VAL 110 CO -0.00 0.28 -0.14 -0.31 0.00 0.00 0.00 175.10 174.93 3hye s TYR 111 N 0.90 1.64 -0.18 5.22 1.51 -0.01 -1.10 117.35 125.34 3hye s TYR 111 Ca -0.11 -0.64 -0.05 0.00 -1.01 0.00 0.00 57.07 55.26 3hye s TYR 111 Cb -0.15 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.49 3hye s TYR 111 CO 0.01 -0.32 -0.01 -0.08 -1.11 0.00 0.00 175.55 174.04 3hye s THR 112 N 0.70 4.02 -0.43 -0.71 -1.32 0.81 0.39 115.64 119.10 3hye s THR 112 Ca -0.14 -0.30 -0.04 0.00 -1.21 0.00 0.00 61.69 60.00 3hye s THR 112 Cb -0.16 -2.79 0.11 0.00 -1.51 0.00 0.00 72.50 68.15 3hye s THR 112 CO 0.03 0.46 0.24 -0.63 -2.21 0.00 0.00 174.62 172.52 3hye s ILE 113 N 0.63 3.51 0.89 5.08 1.09 0.12 -1.40 121.20 131.12 3hye s ILE 113 Ca -0.01 -2.00 -0.13 0.00 -1.10 0.00 0.00 60.65 57.40 3hye s ILE 113 Cb -0.14 -3.38 0.15 0.00 -1.06 0.00 0.00 42.46 38.03 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 1.18 1.17 0.15 2.79 0.04 -1.24 -1.34 135.00 137.76 3hye s PRO 114 Ca 0.08 -0.28 -0.15 0.00 0.04 0.00 0.00 61.00 60.68 3hye s PRO 114 Cb -0.24 -1.92 0.12 0.00 0.04 0.00 0.00 34.50 32.50 3hye s PRO 114 CO -0.03 -2.06 1.10 1.28 0.04 0.00 0.00 177.00 177.33 3hye n LEU 115 N -3.54 -0.53 0.28 -3.56 4.32 -1.26 -1.12 117.00 111.59 3hye n LEU 115 Ca 0.13 1.25 0.19 0.00 -0.02 0.00 0.00 56.01 57.55 3hye n LEU 115 Cb 0.60 -0.26 0.94 0.00 -1.62 0.00 0.00 43.42 43.08 3hye n LEU 115 CO 0.49 -1.10 1.06 1.23 -1.22 0.00 0.00 177.39 177.85 3hye h GLY 116 N 0.00 0.00 0.00 -0.72 0.00 -1.93 -3.46 103.07 96.97 3hye h GLY 116 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3hye h GLY 116 CO -0.70 0.00 0.00 0.61 0.00 0.00 0.00 176.54 176.45 3hye n GLY 117 N -0.82 1.09 3.88 4.60 0.00 -0.27 -4.43 105.19 109.23 3hye n GLY 117 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 6.11 -0.02 1.61 1.04 -1.26 -4.39 113.70 114.79 3hye s SER 118 Ca 0.00 1.29 0.08 0.00 0.48 0.00 0.00 55.95 57.79 3hye s SER 118 Cb 0.00 -2.34 -0.02 0.00 0.10 0.00 0.00 66.02 63.76 3hye s SER 118 CO 0.00 -0.90 -0.25 -0.69 0.98 0.00 0.00 173.24 172.39 3hye s VAL 119 N -3.13 2.15 -0.07 5.02 1.01 -1.26 -3.60 120.40 120.51 3hye s VAL 119 Ca 0.54 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3hye s VAL 119 Cb -0.11 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.56 3hye s VAL 119 CO 0.52 0.57 0.06 -1.00 0.00 0.00 0.00 175.10 175.25 3hye s HIS 120 N -0.63 0.19 -0.06 5.22 3.76 -0.49 -4.97 115.29 118.31 3hye s HIS 120 Ca 0.10 0.06 -0.22 0.00 -0.15 0.00 0.00 55.06 54.85 3hye s HIS 120 Cb -0.10 -0.58 -0.04 0.00 1.11 0.00 0.00 32.58 32.97 3hye s HIS 120 CO -0.01 -0.28 0.65 0.21 -0.85 0.00 0.00 174.74 174.46 3hye s LYS 121 N 2.13 4.41 0.11 1.40 2.20 -1.26 -0.13 119.74 128.59 3hye s LYS 121 Ca 0.04 0.80 -0.09 0.00 -0.36 0.00 0.00 55.97 56.36 3hye s LYS 121 Cb -0.13 -3.43 -0.00 0.00 -1.51 0.00 0.00 37.83 32.76 3hye s LYS 121 CO -0.05 0.12 0.22 -0.51 -0.36 0.00 0.00 175.35 174.78 3hye s LEU 122 N 0.62 1.28 0.41 5.43 1.43 -0.26 -5.00 118.68 122.60 3hye s LEU 122 Ca 0.35 -0.70 0.10 0.00 -1.03 0.00 0.00 54.13 52.85 3hye s LEU 122 Cb -0.17 1.09 0.88 0.00 0.03 0.00 0.00 46.19 48.02 3hye s LEU 122 CO 0.17 -0.77 1.98 -0.65 0.23 0.00 0.00 176.35 177.30 3hye h PRO 123 N 2.69 0.25 -2.75 1.29 0.11 -1.96 -3.33 132.00 128.30 3hye h PRO 123 Ca -0.33 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 65.76 3hye h PRO 123 Cb 1.21 -0.04 -0.13 0.00 0.11 0.00 0.00 31.00 32.15 3hye h PRO 123 CO 0.54 0.31 0.31 1.52 -0.21 0.00 0.00 178.00 180.47 3hye s TYR 124 N -4.92 -0.47 -0.04 0.65 -0.85 -1.26 -1.51 117.35 108.96 3hye s TYR 124 Ca -0.06 0.28 -0.13 0.00 -0.52 0.00 0.00 57.07 56.64 3hye s TYR 124 Cb 0.16 0.56 0.02 0.00 0.38 0.00 0.00 41.96 43.08 3hye s TYR 124 CO 0.72 -0.75 0.29 0.00 -1.52 0.00 0.00 175.55 174.28 3hye s ALA 125 N -3.54 -0.72 0.08 9.51 0.00 0.01 -4.99 121.76 122.11 3hye s ALA 125 Ca 0.03 0.41 0.07 0.00 0.00 0.00 0.00 51.96 52.47 3hye s ALA 125 Cb -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3hye s ALA 125 CO -0.11 -0.22 -0.19 0.96 0.00 0.00 0.00 175.76 176.20 3hye s ILE 126 N -0.93 1.51 0.27 0.00 -0.00 -1.26 -1.16 121.20 119.63 3hye s ILE 126 Ca -0.10 -1.39 -0.19 0.00 -0.00 0.00 0.00 60.65 58.97 3hye s ILE 126 Cb -0.05 -1.37 0.02 0.00 -0.00 0.00 0.00 42.46 41.05 3hye s ILE 126 CO 0.03 -0.06 0.67 0.00 -0.00 0.00 0.00 174.94 175.58 3hye s ALA 127 N -1.11 -1.02 0.00 2.27 0.00 0.12 -4.98 121.76 117.04 3hye s ALA 127 Ca 0.04 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.57 3hye s ALA 127 Cb -0.10 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.92 3hye s ALA 127 CO 0.03 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.20 3hye n GLY 128 N -0.45 1.72 0.32 0.00 0.00 -1.26 -1.49 105.19 104.03 3hye n GLY 128 Ca -0.04 -1.77 0.15 0.00 0.00 0.00 0.00 46.02 44.37 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 0.33 0.34 1.61 4.64 -1.67 0.89 113.55 119.69 3hye h SER 129 Ca 0.00 0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3hye h SER 129 Cb 0.00 0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3hye h SER 129 CO 0.00 -0.03 -0.06 1.23 -0.87 0.00 0.00 176.83 177.10 3hye h GLY 130 N 0.38 0.00 1.97 -0.77 0.00 -1.25 -3.02 103.07 100.38 3hye h GLY 130 Ca 0.59 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.89 3hye h GLY 130 CO -0.55 0.00 -0.09 1.48 0.00 0.00 0.00 176.54 177.37 3hye h SER 131 N 0.00 0.03 -0.81 0.19 4.64 -0.98 -2.73 113.55 113.89 3hye h SER 131 Ca -0.00 -0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 3hye h SER 131 Cb 0.25 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.27 3hye h SER 131 CO 0.01 0.14 0.54 0.71 -0.87 0.00 0.00 176.83 177.35 3hye h THR 132 N 0.04 0.77 0.00 2.95 1.35 -1.67 -0.15 112.91 116.20 3hye h THR 132 Ca 0.01 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3hye h THR 132 Cb 0.19 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 66.89 3hye h THR 132 CO 0.01 0.08 0.00 -0.26 -0.25 0.00 0.00 175.52 175.11 3hye h PHE 133 N 0.46 0.00 -0.30 4.73 0.04 -1.72 -3.28 116.94 116.87 3hye h PHE 133 Ca 0.41 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.18 3hye h PHE 133 Cb 0.91 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.06 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 -2.83 1.83 0.06 -0.55 -5.35 -0.08 -4.62 119.36 107.81 3hye n ILE 134 Ca 0.03 -1.55 -0.13 0.00 -0.27 0.00 0.00 62.75 60.83 3hye n ILE 134 Cb 0.42 0.02 -0.08 0.00 -1.74 0.00 0.00 39.64 38.27 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 1.91 -0.06 0.07 4.28 0.05 -1.58 -0.26 116.97 121.39 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 1.19 0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.95 3hye h TYR 135 CO 0.41 0.03 -0.03 0.78 -1.05 0.00 0.00 178.16 178.30 3hye h GLY 136 N -0.14 -0.10 0.61 3.88 0.00 -1.86 -1.01 103.07 104.46 3hye h GLY 136 Ca -0.01 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.37 3hye h GLY 136 CO 0.01 -0.04 -0.30 -1.82 0.00 0.00 0.00 176.54 174.40 3hye h TYR 137 N -0.10 -0.80 -0.86 5.60 3.20 -1.82 -1.56 116.97 120.64 3hye h TYR 137 Ca -0.01 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.91 3hye h TYR 137 Cb 0.08 0.32 -0.06 0.00 1.54 0.00 0.00 36.73 38.61 3hye h TYR 137 CO -0.07 -0.42 0.54 0.00 -1.64 0.00 0.00 178.16 176.57 3hye h ASP 139 N 1.03 0.00 0.61 0.00 1.82 -0.92 -0.55 116.42 118.41 3hye h ASP 139 Ca 0.35 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.72 3hye h ASP 139 Cb 0.07 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 3hye h ASP 139 CO -0.14 0.30 -1.39 0.11 -1.61 0.00 0.00 179.24 176.52 3hye h LYS 140 N 0.00 0.16 0.00 0.28 1.79 -0.46 -3.38 116.57 114.96 3hye h LYS 140 Ca -0.00 -0.28 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 3hye h LYS 140 Cb 0.58 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 3hye h LYS 140 CO 0.04 1.03 -1.26 0.09 -1.08 0.00 0.00 179.45 178.27 3hye n ASN 141 N -3.39 0.64 -4.75 0.86 4.13 -0.19 -4.97 115.26 107.59 3hye n ASN 141 Ca -0.11 -0.56 -0.41 0.00 1.68 0.00 0.00 54.58 55.18 3hye n ASN 141 Cb 1.02 1.20 -0.04 0.00 -1.54 0.00 0.00 39.78 40.42 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 -3.18 3.49 0.02 3.10 5.36 -0.23 -5.04 117.98 121.51 3hye s PHE 142 Ca 0.03 1.56 0.02 0.00 -0.96 0.00 0.00 56.93 57.58 3hye s PHE 142 Cb 0.15 -3.37 -0.02 0.00 -0.34 0.00 0.00 43.02 39.45 3hye s PHE 142 CO 0.86 -0.90 -0.06 1.03 -1.46 0.00 0.00 175.22 174.69 3hye s ARG 143 N -0.87 0.47 0.43 10.12 0.52 -1.26 -5.01 118.95 123.35 3hye s ARG 143 Ca 0.49 -0.54 -0.19 0.00 -0.52 0.00 0.00 55.73 54.97 3hye s ARG 143 Cb -0.32 -0.30 -0.10 0.00 0.52 0.00 0.00 34.95 34.74 3hye s ARG 143 CO 0.39 0.06 0.92 -1.21 0.02 0.00 0.00 175.30 175.48 3hye s GLU 144 N -1.04 4.12 -1.18 3.54 2.02 -1.26 -4.08 118.70 120.82 3hye s GLU 144 Ca -0.06 0.99 -0.01 0.00 0.02 0.00 0.00 54.97 55.90 3hye s GLU 144 Cb -0.07 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.94 3hye s GLU 144 CO 0.00 -0.05 0.19 0.09 0.02 0.00 0.00 175.26 175.51 3hye n ASN 145 N -0.82 -4.58 -4.73 -0.19 5.03 -1.26 -4.95 115.26 103.75 3hye n ASN 145 Ca 0.06 -0.10 -0.30 0.00 0.87 0.00 0.00 54.58 55.12 3hye n ASN 145 Cb 0.54 -3.61 0.14 0.00 -1.02 0.00 0.00 39.78 35.83 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 -5.00 1.26 0.65 3.52 -1.94 -1.26 -4.18 119.30 112.35 3hye s MET 146 Ca 0.10 0.70 -0.06 0.00 -1.71 0.00 0.00 55.69 54.72 3hye s MET 146 Cb -0.04 -1.82 0.04 0.00 2.01 0.00 0.00 34.83 35.02 3hye s MET 146 CO 0.12 -2.21 0.96 -1.54 -0.01 0.00 0.00 175.02 172.34 3hye s SER 147 N -3.55 5.15 0.22 3.03 1.04 -1.26 -1.41 113.70 116.92 3hye s SER 147 Ca 0.63 0.55 -0.08 0.00 0.48 0.00 0.00 55.95 57.54 3hye s SER 147 Cb -0.17 -1.35 0.27 0.00 0.10 0.00 0.00 66.02 64.87 3hye s SER 147 CO 0.56 -1.36 1.84 0.50 0.98 0.00 0.00 173.24 175.75 3hye h LYS 148 N -0.41 0.83 -0.42 4.02 3.64 -1.99 -0.03 116.57 122.22 3hye h LYS 148 Ca -0.45 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 3hye h LYS 148 Cb 1.29 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 3hye h LYS 148 CO 0.60 0.55 0.04 0.93 -2.27 0.00 0.00 179.45 179.30 3hye h GLU 149 N 0.85 0.71 -0.27 1.90 5.08 -1.99 -1.12 114.58 119.73 3hye h GLU 149 Ca 0.33 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3hye h GLU 149 Cb 0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3hye h GLU 149 CO -0.16 0.76 0.13 0.93 -1.00 0.00 0.00 179.01 179.66 3hye h GLU 150 N 0.55 0.39 -0.68 2.33 5.08 -1.83 -1.82 114.58 118.60 3hye h GLU 150 Ca 0.12 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hye h GLU 150 Cb 0.41 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3hye h GLU 150 CO 0.01 0.38 0.41 1.15 -1.00 0.00 0.00 179.01 179.96 3hye h THR 151 N 0.30 1.20 -0.56 1.13 2.02 -0.91 0.27 112.91 116.35 3hye h THR 151 Ca 0.09 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 3hye h THR 151 Cb 0.13 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.77 3hye h THR 151 CO -0.01 0.21 0.25 0.58 0.37 0.00 0.00 175.52 176.92 3hye h VAL 152 N 0.93 1.19 -0.23 3.16 2.07 -1.08 -1.33 116.25 120.96 3hye h VAL 152 Ca 0.24 -0.57 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 3hye h VAL 152 Cb -0.02 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3hye h VAL 152 CO -0.04 0.23 -0.19 0.44 0.02 0.00 0.00 177.57 178.03 3hye h ASP 153 N 0.79 0.56 0.06 0.57 3.45 -0.36 -0.19 116.42 121.30 3hye h ASP 153 Ca 0.19 -0.45 0.01 0.00 0.43 0.00 0.00 57.03 57.21 3hye h ASP 153 Cb 0.11 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 3hye h ASP 153 CO -0.02 0.90 -0.10 0.15 -1.57 0.00 0.00 179.24 178.59 3hye h PHE 154 N 0.23 -0.27 -0.20 4.55 3.57 -0.23 -0.63 116.94 123.97 3hye h PHE 154 Ca 0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3hye h PHE 154 Cb 0.72 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3hye h PHE 154 CO 0.07 -0.16 0.13 0.82 -2.23 0.00 0.00 178.31 176.94 3hye h ILE 155 N -0.21 1.06 -0.68 1.41 2.04 -1.24 -0.14 117.51 119.75 3hye h ILE 155 Ca 0.02 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.80 3hye h ILE 155 Cb 0.23 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3hye h ILE 155 CO -0.07 0.06 0.39 0.50 0.00 0.00 0.00 178.15 179.03 3hye h LYS 156 N 0.26 0.71 -0.19 2.37 3.64 -0.80 -0.08 116.57 122.47 3hye h LYS 156 Ca 0.07 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 3hye h LYS 156 Cb -0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 3hye h LYS 156 CO -0.02 0.47 -0.42 0.45 -2.27 0.00 0.00 179.45 177.67 3hye h HIS 157 N 0.73 0.78 0.50 1.91 3.86 -0.95 -2.09 115.15 119.88 3hye h HIS 157 Ca 0.30 -0.29 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3hye h HIS 157 Cb 0.15 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3hye h HIS 157 CO -0.07 1.05 -0.30 0.77 0.86 0.00 0.00 177.93 180.25 3hye h SER 158 N 0.29 -0.74 -0.30 2.45 0.02 -0.71 -2.32 113.55 112.24 3hye h SER 158 Ca 0.00 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3hye h SER 158 Cb 1.02 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.76 3hye h SER 158 CO 0.09 -0.47 0.11 -0.07 -1.14 0.00 0.00 176.83 175.35 3hye h LEU 159 N -0.75 0.49 -1.31 5.07 3.38 -1.10 -1.45 115.31 119.63 3hye h LEU 159 Ca -0.06 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 3hye h LEU 159 Cb 0.61 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3hye h LEU 159 CO 0.07 0.48 -0.12 0.77 0.09 0.00 0.00 178.44 179.73 3hye h SER 160 N 0.53 0.30 -0.20 -0.43 4.64 -1.17 0.23 113.55 117.45 3hye h SER 160 Ca 0.13 -0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.25 3hye h SER 160 Cb 0.17 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3hye h SER 160 CO -0.01 0.46 -0.37 1.56 -0.87 0.00 0.00 176.83 177.60 3hye h GLN 161 N 0.30 0.61 -0.05 4.77 1.08 -0.77 -1.38 115.11 119.67 3hye h GLN 161 Ca 0.06 -0.38 0.01 0.00 -1.45 0.00 0.00 58.65 56.89 3hye h GLN 161 Cb 0.40 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 3hye h GLN 161 CO 0.02 1.00 -0.04 0.00 -0.95 0.00 0.00 178.83 178.86 3hye h ALA 162 N 0.61 0.01 -0.45 3.87 0.00 -0.66 -1.85 119.26 120.79 3hye h ALA 162 Ca 0.01 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hye h ALA 162 Cb 0.97 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3hye h ALA 162 CO 0.08 -0.52 0.28 0.82 0.00 0.00 0.00 179.25 179.91 3hye h ILE 163 N -0.05 1.13 -0.49 0.00 5.03 -0.57 -0.49 117.51 122.07 3hye h ILE 163 Ca 0.03 -0.27 -0.02 0.00 -0.12 0.00 0.00 64.86 64.49 3hye h ILE 163 Cb 0.10 0.49 -0.02 0.00 -3.03 0.00 0.00 36.82 34.35 3hye h ILE 163 CO -0.08 0.13 0.23 0.50 -0.68 0.00 0.00 178.15 178.25 3hye h LYS 164 N 0.61 0.70 0.00 2.37 3.64 -0.44 -3.29 116.57 120.16 3hye h LYS 164 Ca 0.16 -0.10 -0.28 0.00 -1.27 0.00 0.00 60.65 59.16 3hye h LYS 164 Cb -0.03 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.61 3hye h LYS 164 CO -0.03 0.59 -1.90 0.91 -2.27 0.00 0.00 179.45 176.76 3hye n TRP 165 N -4.61 0.61 -3.17 1.91 7.02 -0.89 -4.88 117.44 113.42 3hye n TRP 165 Ca 0.02 0.21 -0.41 0.00 -1.02 0.00 0.00 57.50 56.30 3hye n TRP 165 Cb 0.12 -1.07 -0.07 0.00 -2.42 0.00 0.00 31.31 27.87 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 -5.74 6.42 0.54 -0.99 2.15 -0.21 -4.92 116.67 113.91 3hye s ASP 166 Ca -0.06 0.26 0.34 0.00 0.43 0.00 0.00 52.55 53.52 3hye s ASP 166 Cb 0.08 -2.30 1.51 0.00 -0.30 0.00 0.00 42.92 41.90 3hye s ASP 166 CO 0.83 -0.47 2.02 1.23 -0.17 0.00 0.00 175.17 178.61 3hye h GLY 167 N 9.11 0.00 1.17 2.66 0.00 -1.88 -1.72 103.07 112.41 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 0.78 0.00 -0.10 1.44 0.00 0.00 0.00 176.54 178.66 3hye n SER 168 N -2.98 0.32 -4.47 0.19 7.64 -1.26 -4.81 113.62 108.25 3hye n SER 168 Ca 0.00 -0.35 -0.30 0.00 1.01 0.00 0.00 58.87 59.23 3hye n SER 168 Cb 0.25 -0.14 -0.12 0.00 -1.01 0.00 0.00 64.21 63.19 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 -2.59 3.82 0.00 6.43 0.01 -0.65 -2.15 113.70 118.58 3hye s SER 169 Ca 0.26 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 57.03 3hye s SER 169 Cb 0.20 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.85 3hye s SER 169 CO 0.49 0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.98 3hye n GLY 170 N 1.23 -1.44 4.78 3.44 0.00 -1.26 -4.77 105.19 107.16 3hye n GLY 170 Ca -0.16 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.08 0.53 3.92 -0.02 0.00 -1.26 -1.43 105.19 106.86 3hye n GLY 171 Ca 0.00 -1.01 -0.20 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 3.53 -0.22 1.61 -7.23 -1.26 -4.40 120.40 112.43 3hye s VAL 172 Ca 0.00 -1.20 -0.06 0.00 -1.81 0.00 0.00 61.98 58.91 3hye s VAL 172 Cb 0.00 -3.21 -0.03 0.00 0.56 0.00 0.00 36.38 33.70 3hye s VAL 172 CO 0.00 -0.12 0.03 -0.63 -0.31 0.00 0.00 175.10 174.07 3hye s ILE 173 N -2.29 4.14 0.06 -0.62 1.01 -0.42 -2.72 121.20 120.35 3hye s ILE 173 Ca 0.45 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.88 3hye s ILE 173 Cb -0.07 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3hye s ILE 173 CO 0.29 0.40 0.07 -0.13 0.00 0.00 0.00 174.94 175.56 3hye s ARG 174 N 1.21 2.87 0.03 2.79 0.52 -0.33 -0.61 118.95 125.44 3hye s ARG 174 Ca 0.04 -0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 54.57 3hye s ARG 174 Cb -0.14 -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 0.00 175.30 174.29 3hye s MET 175 N -2.20 0.47 -0.08 3.54 -1.94 0.30 -1.30 119.30 118.09 3hye s MET 175 Ca 0.27 -0.83 -0.01 0.00 -1.71 0.00 0.00 55.69 53.40 3hye s MET 175 Cb -0.12 0.17 0.03 0.00 2.01 0.00 0.00 34.83 36.92 3hye s MET 175 CO 0.19 -0.09 -0.01 0.08 -0.01 0.00 0.00 175.02 175.18 3hye s VAL 176 N -2.51 0.49 -0.21 -6.03 1.01 0.41 -1.29 120.40 112.28 3hye s VAL 176 Ca -0.06 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.82 3hye s VAL 176 Cb -0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 3hye s VAL 176 CO -0.05 0.26 0.28 -0.69 0.00 0.00 0.00 175.10 174.90 3hye s VAL 177 N 1.93 5.29 -0.30 2.92 1.01 0.13 -1.12 120.40 130.26 3hye s VAL 177 Ca 0.05 0.46 0.02 0.00 0.00 0.00 0.00 61.98 62.51 3hye s VAL 177 Cb -0.12 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.71 3hye s VAL 177 CO -0.06 0.32 -0.03 -0.76 0.00 0.00 0.00 175.10 174.58 3hye s LEU 178 N 1.00 4.00 0.29 3.92 1.02 0.06 -1.46 118.68 127.50 3hye s LEU 178 Ca 0.14 -1.61 0.03 0.00 0.02 0.00 0.00 54.13 52.70 3hye s LEU 178 Cb -0.14 -1.62 -0.03 0.00 0.02 0.00 0.00 46.19 44.42 3hye s LEU 178 CO 0.05 -0.28 0.27 0.42 0.02 0.00 0.00 176.35 176.84 3hye s THR 179 N 1.08 0.00 0.47 5.49 -4.23 -0.99 -1.62 115.64 115.83 3hye s THR 179 Ca -0.02 -1.92 0.13 0.00 -1.18 0.00 0.00 61.69 58.70 3hye s THR 179 Cb -0.20 -2.51 0.29 0.00 1.34 0.00 0.00 72.50 71.42 3hye s THR 179 CO -0.05 0.00 2.08 0.00 -0.54 0.00 0.00 174.62 176.11 3hye h ALA 180 N 2.28 1.93 0.00 3.99 0.00 -1.94 0.12 119.26 125.64 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 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3hye h ALA 181 N 1.84 1.00 0.00 0.00 0.00 -1.95 -3.48 119.26 116.67 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 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 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 -1.00 0.40 3.06 0.00 0.00 0.03 -5.04 105.19 102.62 3hye n GLY 183 Ca -0.02 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.89 1.55 -0.06 1.61 1.01 -1.26 -2.35 120.40 119.01 3hye s VAL 184 Ca 0.00 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.38 3hye s VAL 184 Cb 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 3hye s VAL 184 CO 0.00 0.45 -0.24 -0.70 0.00 0.00 0.00 175.10 174.61 3hye s GLU 185 N 1.08 2.43 -0.26 2.72 2.12 -0.54 -4.96 118.70 121.29 3hye s GLU 185 Ca -0.04 -0.86 -0.09 0.00 0.36 0.00 0.00 54.97 54.34 3hye s GLU 185 Cb -0.14 -2.06 -0.04 0.00 0.26 0.00 0.00 34.13 32.15 3hye s GLU 185 CO -0.03 0.36 0.11 1.03 -0.54 0.00 0.00 175.26 176.19 3hye s ARG 186 N -0.13 3.79 0.11 4.30 1.81 -1.26 0.22 118.95 127.79 3hye s ARG 186 Ca -0.04 -0.41 0.09 0.00 -1.72 0.00 0.00 55.73 53.65 3hye s ARG 186 Cb -0.13 -3.44 -0.04 0.00 -0.45 0.00 0.00 34.95 30.88 3hye s ARG 186 CO 0.03 -0.16 -0.19 -0.51 -0.68 0.00 0.00 175.30 173.79 3hye s LEU 187 N 1.59 2.62 -0.04 2.53 1.43 -0.41 -4.99 118.68 121.42 3hye s LEU 187 Ca 0.06 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 3hye s LEU 187 Cb -0.15 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.58 3hye s LEU 187 CO 0.06 0.19 0.10 -0.51 0.23 0.00 0.00 176.35 176.43 3hye s ILE 18 N -1.09 0.00 -0.07 -0.59 2.07 -1.26 -0.54 121.20 119.72 3hye s ILE 18 Ca 0.17 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.40 3hye s ILE 18 Cb -0.10 -0.16 0.02 0.00 0.13 0.00 0.00 42.46 42.35 3hye s ILE 18 CO 0.09 -0.01 -0.09 -0.36 -1.91 0.00 0.00 174.94 172.65 3hye s PHE 18 N 0.02 1.29 0.50 3.50 0.08 0.22 -4.97 117.98 118.62 3hye s PHE 18 Ca -0.00 -0.50 -0.08 0.00 0.12 0.00 0.00 56.93 56.46 3hye s PHE 18 Cb -0.01 -1.01 -0.05 0.00 -0.57 0.00 0.00 43.02 41.39 3hye s PHE 18 CO 0.00 -0.31 0.85 0.71 -0.10 0.00 0.00 175.22 176.37 3hye s TYR 18 N 0.96 3.55 0.17 0.36 2.02 -1.26 -1.29 117.35 121.86 3hye s TYR 18 Ca -0.09 1.01 -0.23 0.00 -0.37 0.00 0.00 57.07 57.38 3hye s TYR 18 Cb -0.15 -2.45 0.07 0.00 -0.40 0.00 0.00 41.96 39.04 3hye s TYR 18 CO 0.00 -0.34 1.59 -1.35 -1.57 0.00 0.00 175.55 173.88 3hye h PRO 18 N 0.37 -0.21 -0.40 -1.71 0.11 -1.98 -0.55 132.00 127.63 3hye h PRO 18 Ca -0.46 0.01 0.12 0.00 0.11 0.00 0.00 66.00 65.78 3hye h PRO 18 Cb 1.20 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3hye h PRO 18 CO 0.62 -0.14 0.56 -0.44 -0.21 0.00 0.00 178.00 178.39 3hye h ASP 18 N -0.22 0.00 0.00 -2.05 3.32 -1.96 -0.19 116.42 115.31 3hye h ASP 18 Ca 0.19 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.15 3hye h ASP 18 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 3hye h ASP 18 CO -0.62 0.00 -0.76 -0.08 -1.72 0.00 0.00 179.24 176.06 3hye h GLU 18 N 0.00 0.00 0.00 3.56 4.81 -1.49 -3.41 114.58 118.05 3hye h GLU 18 Ca 0.19 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 3hye h GLU 18 Cb 1.31 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.69 3hye h GLU 18 CO -0.00 0.41 -0.11 0.10 -0.73 0.00 0.00 179.01 178.67 3hye h TYR 18 N -1.00 0.00 0.00 0.92 -0.00 -1.19 -3.28 116.97 112.42 3hye h TYR 18 Ca -0.13 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 58.53 3hye h TYR 18 Cb 0.80 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.52 3hye h TYR 18 CO -0.07 0.11 -0.32 0.93 -0.00 0.00 0.00 178.16 178.81 3hye h GLU 18 N 0.00 0.00 -0.94 0.10 5.08 -1.27 -3.01 114.58 114.54 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 0.91 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.86 3hye h GLU 18 CO 0.01 0.32 0.63 0.94 -1.00 0.00 0.00 179.01 179.92 3hye n GLN 18 N -4.14 2.49 0.00 2.33 -0.06 -1.24 -5.12 117.38 111.65 3hye n GLN 18 Ca -0.02 -3.21 0.13 0.00 -2.00 0.00 0.00 57.00 51.90 3hye n GLN 18 Cb 0.36 -2.21 0.40 0.00 -4.06 0.00 0.00 30.24 24.74 3hye n GLN 18 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14