#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hye s PHE -8 N 0.00 3.27 -0.32 3.69 5.36 -1.26 -5.02 117.98 123.70 3hye s PHE -8 Ca 0.00 1.23 -0.08 0.00 -0.96 0.00 0.00 56.93 57.12 3hye s PHE -8 Cb 0.00 -3.43 0.01 0.00 -0.34 0.00 0.00 43.02 39.26 3hye s PHE -8 CO 0.00 -1.34 0.13 1.21 -1.46 0.00 0.00 175.22 173.75 3hye s ASN -7 N 1.34 5.38 0.00 6.13 3.04 -1.26 -4.97 114.94 124.60 3hye s ASN -7 Ca 0.57 -0.76 0.17 0.00 0.04 0.00 0.00 52.86 52.88 3hye s ASN -7 Cb -0.27 -1.94 0.76 0.00 -1.54 0.00 0.00 41.25 38.26 3hye s ASN -7 CO 0.25 -0.24 1.52 -0.81 -3.04 0.00 0.00 177.10 174.78 3hye n PRO -6 N 4.92 0.09 -4.24 0.43 -0.04 -1.26 -4.81 135.00 130.09 3hye n PRO -6 Ca -0.14 0.18 -0.25 0.00 -0.04 0.00 0.00 63.50 63.26 3hye n PRO -6 Cb 0.48 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.36 3hye n PRO -6 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3hye s TYR -5 N -2.85 2.78 0.24 0.54 1.51 -1.26 -5.08 117.35 113.24 3hye s TYR -5 Ca 0.11 -0.17 -0.10 0.00 -1.01 0.00 0.00 57.07 55.90 3hye s TYR -5 Cb 0.11 -1.31 -0.01 0.00 -0.11 0.00 0.00 41.96 40.64 3hye s TYR -5 CO 0.29 0.55 0.40 0.20 -1.11 0.00 0.00 175.55 175.88 3hye s GLY -4 N -3.19 0.77 -0.17 0.71 0.00 -1.26 -5.15 107.32 99.04 3hye s GLY -4 Ca 0.28 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 3hye s GLY -4 CO 0.19 -0.81 -0.04 -0.35 0.00 0.00 0.00 173.10 172.08 3hye s ASP -3 N -3.06 2.82 -0.13 1.64 3.68 -1.26 -4.13 116.67 116.22 3hye s ASP -3 Ca 0.26 -0.67 0.14 0.00 2.13 0.00 0.00 52.55 54.42 3hye s ASP -3 Cb 0.01 -0.88 0.64 0.00 -1.45 0.00 0.00 42.92 41.24 3hye s ASP -3 CO 0.10 -0.20 1.51 0.59 0.13 0.00 0.00 175.17 177.30 3hye n ASN -2 N 4.89 4.38 0.00 -0.34 4.13 -0.79 -4.48 115.26 123.05 3hye n ASN -2 Ca -0.11 -2.51 0.00 0.00 1.68 0.00 0.00 54.58 53.64 3hye n ASN -2 Cb 0.48 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.14 3hye n ASN -2 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hye n GLY -1 N 0.85 2.29 0.40 7.41 0.00 -1.26 -1.95 105.19 112.94 3hye n GLY -1 Ca 0.22 -0.51 0.02 0.00 0.00 0.00 0.00 46.02 45.75 3hye n GLY -1 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hye n GLY 1 N 0.00 -3.00 2.97 -0.02 0.00 -1.26 -4.34 105.19 99.55 3hye n GLY 1 Ca 0.00 -1.25 -0.13 0.00 0.00 0.00 0.00 46.02 44.64 3hye n GLY 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hye s THR 2 N -3.92 -0.02 0.13 2.61 2.01 -1.26 -1.88 115.64 113.31 3hye s THR 2 Ca 0.00 0.08 0.07 0.00 0.31 0.00 0.00 61.69 62.15 3hye s THR 2 Cb 0.00 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.26 3hye s THR 2 CO 0.00 0.03 -0.17 0.27 -0.69 0.00 0.00 174.62 174.06 3hye s ILE 3 N 0.55 1.58 -0.02 1.82 -5.25 0.98 -2.04 121.20 118.83 3hye s ILE 3 Ca -0.04 -1.70 0.00 0.00 -0.99 0.00 0.00 60.65 57.92 3hye s ILE 3 Cb -0.06 -1.60 0.03 0.00 2.95 0.00 0.00 42.46 43.78 3hye s ILE 3 CO -0.03 -0.27 0.02 -0.22 -1.79 0.00 0.00 174.94 172.66 3hye s LEU 4 N -2.32 1.22 -0.12 0.37 2.96 0.18 0.66 118.68 121.64 3hye s LEU 4 Ca 0.10 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 3hye s LEU 4 Cb -0.07 -0.06 0.01 0.00 0.50 0.00 0.00 46.19 46.57 3hye s LEU 4 CO 0.04 -0.11 -0.18 -0.83 -1.32 0.00 0.00 176.35 173.95 3hye s GLY 5 N 0.90 1.18 -0.08 7.98 0.00 -0.23 0.99 107.32 118.06 3hye s GLY 5 Ca -0.08 -0.88 0.02 0.00 0.00 0.00 0.00 44.72 43.78 3hye s GLY 5 CO -0.02 0.09 -0.12 -0.42 0.00 0.00 0.00 173.10 172.62 3hye s ILE 6 N 0.87 1.20 -0.31 0.90 1.01 -0.17 -0.84 121.20 123.85 3hye s ILE 6 Ca -0.08 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.91 3hye s ILE 6 Cb -0.15 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 3hye s ILE 6 CO -0.01 0.37 0.43 0.00 0.00 0.00 0.00 174.94 175.73 3hye s ALA 7 N 0.81 3.52 0.74 9.38 0.00 0.49 -0.59 121.76 136.11 3hye s ALA 7 Ca -0.12 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 3hye s ALA 7 Cb -0.15 -2.86 0.10 0.00 0.00 0.00 0.00 23.12 20.21 3hye s ALA 7 CO 0.02 -0.96 0.64 0.41 0.00 0.00 0.00 175.76 175.87 3hye n GLY 8 N 4.77 -0.04 0.24 0.00 0.00 0.31 -4.92 105.19 105.56 3hye n GLY 8 Ca -0.07 -1.89 -0.07 0.00 0.00 0.00 0.00 46.02 43.99 3hye n GLY 8 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hye h GLU 9 N 0.00 0.64 0.00 1.61 4.81 -1.91 -2.71 114.58 117.02 3hye h GLU 9 Ca -0.21 -0.29 -0.09 0.00 -0.13 0.00 0.00 59.36 58.64 3hye h GLU 9 Cb 0.69 -0.01 -0.20 0.00 0.63 0.00 0.00 28.75 29.86 3hye h GLU 9 CO 0.19 0.87 -0.74 -0.40 -0.73 0.00 0.00 179.01 178.21 3hye n ASP 10 N -4.08 0.45 -3.94 1.04 5.75 -1.26 -2.52 116.55 112.00 3hye n ASP 10 Ca -0.01 -1.97 -0.08 0.00 -0.01 0.00 0.00 54.79 52.72 3hye n ASP 10 Cb 0.47 -0.22 -0.04 0.00 -1.03 0.00 0.00 41.12 40.30 3hye n ASP 10 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3hye s PHE 11 N 0.00 0.13 -0.14 2.11 -0.12 -1.26 -4.49 117.98 114.22 3hye s PHE 11 Ca 0.17 -0.53 -0.23 0.00 -0.05 0.00 0.00 56.93 56.29 3hye s PHE 11 Cb 0.19 0.40 0.06 0.00 -0.63 0.00 0.00 43.02 43.04 3hye s PHE 11 CO -0.08 -1.09 0.58 0.00 -0.05 0.00 0.00 175.22 174.58 3hye s ALA 12 N -3.98 -1.46 0.11 1.99 0.00 -0.63 0.11 121.76 117.90 3hye s ALA 12 Ca 0.18 1.37 0.09 0.00 0.00 0.00 0.00 51.96 53.60 3hye s ALA 12 Cb -0.03 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 3hye s ALA 12 CO 0.08 -0.30 -0.22 0.14 0.00 0.00 0.00 175.76 175.45 3hye s VAL 13 N -0.37 1.83 -0.20 0.00 -7.23 0.24 -0.35 120.40 114.32 3hye s VAL 13 Ca -0.05 -1.60 -0.03 0.00 -1.81 0.00 0.00 61.98 58.48 3hye s VAL 13 Cb -0.03 -1.66 0.06 0.00 0.56 0.00 0.00 36.38 35.31 3hye s VAL 13 CO 0.04 -0.04 0.06 -0.22 -0.31 0.00 0.00 175.10 174.63 3hye s LEU 14 N -1.97 0.93 0.33 1.32 0.20 -0.60 -0.99 118.68 117.89 3hye s LEU 14 Ca 0.08 -0.82 0.08 0.00 0.69 0.00 0.00 54.13 54.17 3hye s LEU 14 Cb -0.10 -0.48 -0.04 0.00 -0.43 0.00 0.00 46.19 45.14 3hye s LEU 14 CO 0.05 -0.33 0.13 0.00 -0.29 0.00 0.00 176.35 175.91 3hye s ALA 15 N 1.95 3.48 -0.28 5.97 0.00 0.28 -1.91 121.76 131.25 3hye s ALA 15 Ca 0.01 -1.79 -0.25 0.00 0.00 0.00 0.00 51.96 49.93 3hye s ALA 15 Cb -0.17 -0.77 0.13 0.00 0.00 0.00 0.00 23.12 22.32 3hye s ALA 15 CO -0.11 0.06 1.10 0.20 0.00 0.00 0.00 175.76 177.02 3hye s GLY 16 N -3.83 -0.07 0.88 0.00 0.00 -0.91 0.52 107.32 103.90 3hye s GLY 16 Ca 0.37 2.77 -0.11 0.00 0.00 0.00 0.00 44.72 47.75 3hye s GLY 16 CO 0.23 1.79 1.10 0.51 0.00 0.00 0.00 173.10 176.72 3hye s ASP 17 N 0.08 3.53 -0.13 1.64 3.84 -0.86 -1.98 116.67 122.79 3hye s ASP 17 Ca 0.04 1.70 0.16 0.00 -0.00 0.00 0.00 52.55 54.44 3hye s ASP 17 Cb -0.05 -2.35 0.59 0.00 -1.38 0.00 0.00 42.92 39.73 3hye s ASP 17 CO -0.07 -2.63 1.50 0.35 -0.00 0.00 0.00 175.17 174.32 3hye n THR 18 N -3.90 1.96 -3.20 2.11 -2.24 0.98 -4.71 114.28 105.27 3hye n THR 18 Ca 0.08 -1.43 -0.39 0.00 -2.27 0.00 0.00 64.05 60.05 3hye n THR 18 Cb 0.54 0.01 -0.05 0.00 -2.10 0.00 0.00 70.33 68.73 3hye n THR 18 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3hye s ARG 19 N -2.14 4.36 -0.15 -0.78 3.52 -1.25 -1.64 118.95 120.86 3hye s ARG 19 Ca 0.43 0.66 0.02 0.00 -0.13 0.00 0.00 55.73 56.70 3hye s ARG 19 Cb 0.30 -3.41 0.01 0.00 -1.56 0.00 0.00 34.95 30.29 3hye s ARG 19 CO 0.16 0.18 -0.20 1.21 -0.81 0.00 0.00 175.30 175.85 3hye s ASN 20 N 0.46 3.26 0.33 -2.12 3.84 -0.55 -4.15 114.94 116.02 3hye s ASN 20 Ca 0.31 -0.58 0.05 0.00 0.21 0.00 0.00 52.86 52.84 3hye s ASN 20 Cb -0.17 -1.49 -0.07 0.00 -0.55 0.00 0.00 41.25 38.98 3hye s ASN 20 CO 0.15 0.06 0.03 0.27 -2.79 0.00 0.00 177.10 174.81 3hye s ILE 21 N 0.95 1.40 -0.24 -5.21 -5.25 -0.82 0.29 121.20 112.31 3hye s ILE 21 Ca -0.04 -2.02 -0.03 0.00 -0.99 0.00 0.00 60.65 57.58 3hye s ILE 21 Cb -0.15 -2.76 0.11 0.00 2.95 0.00 0.00 42.46 42.61 3hye s ILE 21 CO -0.04 -0.06 0.26 -0.89 -1.79 0.00 0.00 174.94 172.42 3hye s THR 22 N -3.15 -0.37 0.00 8.37 2.01 -0.55 -3.97 115.64 117.98 3hye s THR 22 Ca 0.35 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.10 3hye s THR 22 Cb 0.08 -0.80 0.00 0.00 0.01 0.00 0.00 72.50 71.79 3hye s THR 22 CO 0.15 -0.30 0.00 0.47 -0.69 0.00 0.00 174.62 174.26 3hye n ASP 23 N 5.32 0.00 -1.08 3.53 10.43 -1.26 -1.52 116.55 131.96 3hye n ASP 23 Ca -0.04 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.40 3hye n ASP 23 Cb 0.48 0.00 0.27 0.00 1.84 0.00 0.00 41.12 43.71 3hye n ASP 23 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3hye n TYR 24 N 8.92 1.02 -4.41 1.24 0.53 -1.26 -4.97 117.16 118.22 3hye n TYR 24 Ca 0.00 -0.67 -0.30 0.00 -1.02 0.00 0.00 57.90 55.91 3hye n TYR 24 Cb 0.00 -0.21 -0.11 0.00 -1.03 0.00 0.00 39.34 37.99 3hye n TYR 24 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 3hye s SER 25 N -1.26 4.15 -0.20 7.72 0.01 -0.58 -5.11 113.70 118.43 3hye s SER 25 Ca 0.40 -0.39 -0.16 0.00 1.31 0.00 0.00 55.95 57.11 3hye s SER 25 Cb 0.27 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.71 3hye s SER 25 CO 0.17 0.22 0.39 -0.63 0.41 0.00 0.00 173.24 173.79 3hye s ILE 26 N -1.08 5.21 -0.02 1.44 1.01 -1.26 -1.48 121.20 125.02 3hye s ILE 26 Ca 0.18 0.69 -0.04 0.00 0.00 0.00 0.00 60.65 61.47 3hye s ILE 26 Cb -0.11 -3.72 -0.28 0.00 0.01 0.00 0.00 42.46 38.36 3hye s ILE 26 CO 0.09 0.26 0.76 0.78 0.00 0.00 0.00 174.94 176.83 3hye h ASN 27 N 7.34 0.42 -4.30 3.58 2.35 -0.50 -3.48 115.58 121.00 3hye h ASN 27 Ca -0.36 -0.63 -0.05 0.00 -0.55 0.00 0.00 56.30 54.71 3hye h ASN 27 Cb 1.16 -0.14 -0.20 0.00 0.05 0.00 0.00 38.32 39.19 3hye h ASN 27 CO 0.72 1.53 0.15 -0.55 -1.65 0.00 0.00 177.43 177.63 3hye s SER 28 N -7.00 -0.72 0.12 5.81 0.15 -1.06 -5.00 113.70 106.00 3hye s SER 28 Ca -0.11 1.23 0.24 0.00 0.70 0.00 0.00 55.95 58.00 3hye s SER 28 Cb 0.07 1.19 0.25 0.00 -1.71 0.00 0.00 66.02 65.81 3hye s SER 28 CO 0.84 -0.36 1.23 0.03 1.20 0.00 0.00 173.24 176.19 3hye h ARG 29 N 4.40 0.00 -2.47 5.44 3.08 -1.88 -1.45 114.38 121.50 3hye h ARG 29 Ca -0.28 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.26 3hye h ARG 29 Cb 1.15 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 30.83 3hye h ARG 29 CO 0.15 0.00 -0.79 -0.47 -1.07 0.00 0.00 179.97 177.80 3hye s TYR 30 N -3.20 0.34 -0.33 3.04 5.04 -1.14 -4.08 117.35 117.01 3hye s TYR 30 Ca 0.05 -1.19 -0.01 0.00 -2.44 0.00 0.00 57.07 53.48 3hye s TYR 30 Cb 0.13 -0.77 0.11 0.00 0.35 0.00 0.00 41.96 41.78 3hye s TYR 30 CO 0.74 -0.86 0.14 -2.00 -1.34 0.00 0.00 175.55 172.23 3hye s GLU 31 N 1.47 0.67 0.15 4.97 2.56 -0.65 -5.05 118.70 122.82 3hye s GLU 31 Ca 0.15 -1.15 -0.33 0.00 0.00 0.00 0.00 54.97 53.65 3hye s GLU 31 Cb -0.19 -1.77 -0.17 0.00 2.00 0.00 0.00 34.13 34.00 3hye s GLU 31 CO -0.11 -1.06 0.94 -2.30 -0.56 0.00 0.00 175.26 172.18 3hye n PRO 32 N 4.60 0.55 0.00 4.30 -0.02 -1.26 -4.75 135.00 138.43 3hye n PRO 32 Ca 0.01 0.20 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3hye n PRO 32 Cb 0.40 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3hye n PRO 32 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hye n LYS 33 N 1.40 4.90 -4.77 -0.52 4.81 -1.26 -5.00 118.16 117.72 3hye n LYS 33 Ca 0.17 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.28 3hye n LYS 33 Cb 0.21 -0.46 -0.15 0.00 0.02 0.00 0.00 35.03 34.65 3hye n LYS 33 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hye s VAL 34 N -0.89 2.86 0.10 3.15 1.01 -1.26 -4.30 120.40 121.07 3hye s VAL 34 Ca 0.00 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.34 3hye s VAL 34 Cb 0.00 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3hye s VAL 34 CO 0.00 0.52 -0.21 -0.36 0.00 0.00 0.00 175.10 175.05 3hye s PHE 35 N 0.46 1.82 -0.34 5.22 0.08 0.02 -4.95 117.98 120.28 3hye s PHE 35 Ca -0.11 -0.42 -0.21 0.00 0.12 0.00 0.00 56.93 56.31 3hye s PHE 35 Cb -0.16 -0.99 0.00 0.00 -0.57 0.00 0.00 43.02 41.30 3hye s PHE 35 CO 0.05 0.21 0.69 0.34 -0.10 0.00 0.00 175.22 176.41 3hye s ASP 36 N -1.92 6.50 -0.04 1.36 3.68 -1.26 -0.72 116.67 124.26 3hye s ASP 36 Ca 0.07 0.31 0.21 0.00 2.13 0.00 0.00 52.55 55.27 3hye s ASP 36 Cb -0.10 -2.36 0.68 0.00 -1.45 0.00 0.00 42.92 39.70 3hye s ASP 36 CO 0.04 -0.61 1.58 0.00 0.13 0.00 0.00 175.17 176.31 3hye n GLY 38 N 1.47 -0.42 2.42 0.00 0.00 -1.25 -4.87 105.19 102.54 3hye n GLY 38 Ca 0.25 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.44 3hye n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hye n ASP 39 N -1.29 -3.13 -3.26 1.61 9.92 -1.26 -1.47 116.55 117.67 3hye n ASP 39 Ca 0.00 0.27 -0.21 0.00 -0.53 0.00 0.00 54.79 54.32 3hye n ASP 39 Cb 0.00 -2.71 0.07 0.00 -0.64 0.00 0.00 41.12 37.84 3hye n ASP 39 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3hye n ASN 40 N -1.65 -5.95 -4.10 -2.24 4.05 -1.26 -4.85 115.26 99.27 3hye n ASN 40 Ca -0.11 -0.48 -0.29 0.00 0.45 0.00 0.00 54.58 54.15 3hye n ASN 40 Cb 0.57 -4.57 -0.17 0.00 1.23 0.00 0.00 39.78 36.84 3hye n ASN 40 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3hye s ILE 41 N -3.28 1.62 -0.02 -1.44 1.01 -0.54 -4.45 121.20 114.10 3hye s ILE 41 Ca 0.52 -0.73 0.02 0.00 0.00 0.00 0.00 60.65 60.46 3hye s ILE 41 Cb -0.23 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.75 3hye s ILE 41 CO 0.64 0.46 -0.07 0.68 0.00 0.00 0.00 174.94 176.66 3hye s VAL 42 N 0.80 3.66 0.01 2.92 -7.23 -0.50 -0.37 120.40 119.69 3hye s VAL 42 Ca -0.10 -0.66 -0.02 0.00 -1.81 0.00 0.00 61.98 59.39 3hye s VAL 42 Cb -0.16 -2.55 -0.01 0.00 0.56 0.00 0.00 36.38 34.22 3hye s VAL 42 CO 0.01 0.47 0.02 -0.32 -0.31 0.00 0.00 175.10 174.97 3hye s MET 43 N -1.18 0.30 -0.08 4.82 0.00 0.10 -0.48 119.30 122.78 3hye s MET 43 Ca 0.15 -0.45 -0.04 0.00 0.00 0.00 0.00 55.69 55.35 3hye s MET 43 Cb -0.11 0.11 0.04 0.00 0.00 0.00 0.00 34.83 34.87 3hye s MET 43 CO 0.05 -0.06 0.20 0.45 0.00 0.00 0.00 175.02 175.66 3hye s SER 44 N -1.19 -0.19 -0.38 1.11 0.15 -0.31 -0.79 113.70 112.10 3hye s SER 44 Ca -0.13 0.41 0.04 0.00 0.70 0.00 0.00 55.95 56.97 3hye s SER 44 Cb -0.08 0.31 0.11 0.00 -1.71 0.00 0.00 66.02 64.65 3hye s SER 44 CO -0.00 -0.14 0.10 0.00 1.20 0.00 0.00 173.24 174.39 3hye s ALA 45 N 1.05 2.89 0.07 5.45 0.00 -1.26 -0.81 121.76 129.15 3hye s ALA 45 Ca -0.08 -2.64 -0.08 0.00 0.00 0.00 0.00 51.96 49.16 3hye s ALA 45 Cb -0.10 -1.99 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 3hye s ALA 45 CO -0.06 -1.76 0.37 1.21 0.00 0.00 0.00 175.76 175.51 3hye s ASN 46 N 0.70 6.58 0.00 0.00 3.84 -0.38 -4.38 114.94 121.30 3hye s ASN 46 Ca 0.12 0.71 0.00 0.00 0.21 0.00 0.00 52.86 53.90 3hye s ASN 46 Cb -0.20 -2.14 0.00 0.00 -0.55 0.00 0.00 41.25 38.35 3hye s ASN 46 CO -0.07 0.17 0.00 0.61 -2.79 0.00 0.00 177.10 175.02 3hye n GLY 47 N 0.83 0.95 3.45 1.21 0.00 -1.26 0.12 105.19 110.50 3hye n GLY 47 Ca -0.08 -0.45 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 3hye n GLY 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hye s PHE 48 N 0.00 2.98 0.28 1.61 5.36 -0.30 -1.88 117.98 126.03 3hye s PHE 48 Ca 0.00 -0.48 0.02 0.00 -0.96 0.00 0.00 56.93 55.50 3hye s PHE 48 Cb 0.00 -3.71 0.66 0.00 -0.34 0.00 0.00 43.02 39.63 3hye s PHE 48 CO 0.00 -1.14 1.70 0.00 -1.46 0.00 0.00 175.22 174.32 3hye h ALA 49 N 9.09 1.33 -0.90 11.12 0.00 -1.88 0.57 119.26 138.58 3hye h ALA 49 Ca -0.27 0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hye h ALA 49 Cb 1.09 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3hye h ALA 49 CO 1.01 -0.32 0.59 0.00 0.00 0.00 0.00 179.25 180.53 3hye h ALA 50 N 1.68 1.42 -0.18 0.00 0.00 -1.95 0.11 119.26 120.35 3hye h ALA 50 Ca 0.52 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 55.18 3hye h ALA 50 Cb 0.96 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hye h ALA 50 CO -0.51 0.49 -0.72 -0.44 0.00 0.00 0.00 179.25 178.07 3hye h ASP 51 N 1.14 0.89 -0.73 0.00 3.45 -1.34 -2.42 116.42 117.41 3hye h ASP 51 Ca 0.36 -0.56 -0.03 0.00 0.43 0.00 0.00 57.03 57.23 3hye h ASP 51 Cb 0.01 -0.26 -0.03 0.00 -0.56 0.00 0.00 39.33 38.48 3hye h ASP 51 CO -0.10 1.35 0.36 1.23 -1.57 0.00 0.00 179.24 180.50 3hye h GLY 52 N 0.69 1.12 0.90 2.75 0.00 -0.17 -1.46 103.07 106.89 3hye h GLY 52 Ca -0.03 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.69 3hye h GLY 52 CO 0.15 0.52 0.00 -0.55 0.00 0.00 0.00 176.54 176.66 3hye h ASP 53 N 1.02 0.56 -0.42 0.19 3.45 -0.80 -1.63 116.42 118.78 3hye h ASP 53 Ca 0.25 -0.31 0.03 0.00 0.43 0.00 0.00 57.03 57.44 3hye h ASP 53 Cb 0.11 -0.15 -0.04 0.00 -0.56 0.00 0.00 39.33 38.69 3hye h ASP 53 CO -0.03 0.73 0.21 0.00 -1.57 0.00 0.00 179.24 178.57 3hye h ALA 54 N 0.85 0.53 0.44 3.45 0.00 -1.22 -0.30 119.26 123.00 3hye h ALA 54 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hye h ALA 54 Cb 0.44 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3hye h ALA 54 CO 0.02 -0.15 -0.21 1.25 0.00 0.00 0.00 179.25 180.15 3hye h LEU 55 N 0.42 -0.50 -0.80 0.00 5.85 -1.15 0.53 115.31 119.66 3hye h LEU 55 Ca 0.18 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.96 3hye h LEU 55 Cb 0.10 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 3hye h LEU 55 CO -0.13 -0.23 0.42 0.58 -0.34 0.00 0.00 178.44 178.73 3hye h VAL 56 N -0.75 0.81 -0.65 1.05 2.07 -1.20 0.24 116.25 117.83 3hye h VAL 56 Ca -0.06 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 3hye h VAL 56 Cb 0.53 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 3hye h VAL 56 CO 0.10 0.12 0.26 0.50 0.02 0.00 0.00 177.57 178.57 3hye h LYS 57 N 0.66 0.97 -0.36 1.57 3.64 -0.90 -0.70 116.57 121.45 3hye h LYS 57 Ca 0.41 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 59.50 3hye h LYS 57 Cb 0.49 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3hye h LYS 57 CO -0.31 0.81 -0.24 -0.09 -2.27 0.00 0.00 179.45 177.36 3hye h ARG 58 N 0.91 0.71 -0.25 1.90 2.43 0.68 -2.33 114.38 118.44 3hye h ARG 58 Ca 0.22 -0.29 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 3hye h ARG 58 Cb 0.21 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3hye h ARG 58 CO -0.02 0.88 -0.16 0.35 -1.51 0.00 0.00 179.97 179.52 3hye h PHE 59 N 0.62 0.64 -0.84 2.20 3.57 -0.21 -1.55 116.94 121.37 3hye h PHE 59 Ca 0.09 -0.17 0.04 0.00 3.53 0.00 0.00 57.97 61.46 3hye h PHE 59 Cb 0.73 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 3hye h PHE 59 CO 0.03 0.83 0.55 0.87 -2.23 0.00 0.00 178.31 178.37 3hye h LYS 60 N 0.27 0.99 0.00 1.11 1.57 -1.08 0.21 116.57 119.64 3hye h LYS 60 Ca 0.05 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3hye h LYS 60 Cb 0.68 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 3hye h LYS 60 CO 0.04 0.66 -0.31 -0.97 -0.57 0.00 0.00 179.45 178.30 3hye h ASN 61 N 1.02 0.00 -0.33 0.86 -0.73 -1.22 -2.08 115.58 113.11 3hye h ASN 61 Ca 0.34 0.00 -0.16 0.00 1.87 0.00 0.00 56.30 58.36 3hye h ASN 61 Cb 0.07 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.65 3hye h ASN 61 CO -0.11 0.31 -0.40 -1.28 -0.37 0.00 0.00 177.43 175.58 3hye h SER 62 N 0.00 0.92 -0.69 1.15 0.87 0.41 -2.13 113.55 114.08 3hye h SER 62 Ca -0.00 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.05 3hye h SER 62 Cb 0.72 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.39 3hye h SER 62 CO 0.04 1.23 0.34 0.58 -0.53 0.00 0.00 176.83 178.49 3hye h VAL 63 N 0.64 1.23 -0.19 2.23 2.07 -0.80 0.60 116.25 122.02 3hye h VAL 63 Ca 0.04 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.96 3hye h VAL 63 Cb 0.99 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3hye h VAL 63 CO 0.10 0.26 0.05 0.50 0.02 0.00 0.00 177.57 178.50 3hye h LYS 64 N 0.96 0.13 0.00 1.57 3.64 -1.24 -2.00 116.57 119.64 3hye h LYS 64 Ca 0.24 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 3hye h LYS 64 Cb 0.10 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3hye h LYS 64 CO -0.03 0.09 -0.33 -1.49 -2.27 0.00 0.00 179.45 175.42 3hye h TRP 65 N 0.14 0.00 -0.46 1.91 4.06 -1.13 -2.18 115.95 118.28 3hye h TRP 65 Ca 0.09 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.03 3hye h TRP 65 Cb 0.07 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 3hye h TRP 65 CO -0.13 0.33 0.25 -0.92 -3.56 0.00 0.00 178.44 174.41 3hye h TYR 66 N 0.00 0.64 -0.01 0.49 3.20 -0.24 0.15 116.97 121.20 3hye h TYR 66 Ca -0.00 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 3hye h TYR 66 Cb 0.89 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.95 3hye h TYR 66 CO 0.00 0.48 0.01 0.45 -1.64 0.00 0.00 178.16 177.46 3hye h HIS 67 N 0.61 0.02 -0.89 -3.82 3.86 -1.12 0.71 115.15 114.51 3hye h HIS 67 Ca 0.16 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.47 3hye h HIS 67 Cb 0.06 -0.01 -0.07 0.00 1.06 0.00 0.00 27.41 28.45 3hye h HIS 67 CO -0.02 0.12 0.54 0.74 0.86 0.00 0.00 177.93 180.17 3hye h PHE 68 N -0.09 0.98 0.00 2.45 0.04 -1.02 0.06 116.94 119.36 3hye h PHE 68 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3hye h PHE 68 Cb 0.11 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 37.95 3hye h PHE 68 CO -0.04 0.42 -0.61 -0.25 -0.60 0.00 0.00 178.31 177.23 3hye n ASP 69 N -4.67 0.57 -2.58 2.17 8.00 0.49 -4.41 116.55 116.12 3hye n ASP 69 Ca 0.15 -0.18 -0.15 0.00 0.71 0.00 0.00 54.79 55.32 3hye n ASP 69 Cb 0.28 0.32 0.02 0.00 -0.02 0.00 0.00 41.12 41.72 3hye n ASP 69 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3hye n HIS 70 N -1.70 1.97 -3.80 1.24 8.25 0.22 -4.99 115.22 116.42 3hye n HIS 70 Ca 0.04 -2.78 -0.34 0.00 -0.26 0.00 0.00 57.72 54.39 3hye n HIS 70 Cb 0.37 -0.27 0.03 0.00 1.12 0.00 0.00 29.99 31.24 3hye n HIS 70 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hye n ASN 70 N -0.30 -5.02 -1.79 0.41 4.05 -1.18 -1.22 115.26 110.22 3hye n ASN 70 Ca 0.20 -1.05 -0.05 0.00 0.45 0.00 0.00 54.58 54.13 3hye n ASN 70 Cb 0.78 -2.67 -0.01 0.00 1.23 0.00 0.00 39.78 39.11 3hye n ASN 70 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3hye n ASP 71 N -2.44 -1.71 -4.75 1.20 8.00 -0.00 -4.89 116.55 111.97 3hye n ASP 71 Ca -0.12 0.25 -0.37 0.00 0.71 0.00 0.00 54.79 55.25 3hye n ASP 71 Cb 0.59 -1.71 0.04 0.00 -0.02 0.00 0.00 41.12 40.02 3hye n ASP 71 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3hye s LYS 72 N -3.67 2.99 0.22 -1.24 2.20 -0.36 -4.94 119.74 114.94 3hye s LYS 72 Ca 0.00 2.09 -0.30 0.00 -0.36 0.00 0.00 55.97 57.40 3hye s LYS 72 Cb 0.00 -2.10 -0.08 0.00 -1.51 0.00 0.00 37.83 34.14 3hye s LYS 72 CO 0.00 -1.27 1.01 0.21 -0.36 0.00 0.00 175.35 174.95 3hye s LYS 73 N -3.09 4.73 -0.51 4.03 2.20 -1.26 -4.57 119.74 121.27 3hye s LYS 73 Ca 0.75 1.61 -0.24 0.00 -0.36 0.00 0.00 55.97 57.73 3hye s LYS 73 Cb -0.37 -3.27 0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3hye s LYS 73 CO 0.42 0.32 0.92 -1.17 -0.36 0.00 0.00 175.35 175.48 3hye s LEU 74 N -0.95 4.08 0.57 5.43 2.96 -1.26 -5.02 118.68 124.49 3hye s LEU 74 Ca 0.44 -0.15 -0.19 0.00 -0.22 0.00 0.00 54.13 54.00 3hye s LEU 74 Cb -0.28 -2.98 -0.05 0.00 0.50 0.00 0.00 46.19 43.39 3hye s LEU 74 CO 0.35 -1.13 1.19 -0.94 -1.32 0.00 0.00 176.35 174.49 3hye s SER 75 N 2.55 5.41 0.39 3.68 1.04 -1.26 -4.78 113.70 120.73 3hye s SER 75 Ca 0.33 2.33 0.13 0.00 0.48 0.00 0.00 55.95 59.23 3hye s SER 75 Cb -0.12 -2.60 0.96 0.00 0.10 0.00 0.00 66.02 64.37 3hye s SER 75 CO 0.22 -1.44 1.86 -0.29 0.98 0.00 0.00 173.24 174.58 3hye h ILE 76 N 1.06 0.75 -0.14 -1.02 6.09 -1.92 0.72 117.51 123.05 3hye h ILE 76 Ca -0.50 -0.18 -0.14 0.00 -1.37 0.00 0.00 64.86 62.66 3hye h ILE 76 Cb 1.28 0.17 -0.01 0.00 0.47 0.00 0.00 36.82 38.73 3hye h ILE 76 CO 0.56 0.10 -0.54 -0.55 -3.07 0.00 0.00 178.15 174.65 3hye h ASN 77 N 0.53 0.44 0.16 2.19 -1.07 -1.90 -1.84 115.58 114.09 3hye h ASN 77 Ca 0.46 -0.23 -0.18 0.00 0.07 0.00 0.00 56.30 56.42 3hye h ASN 77 Cb 0.95 -0.12 -0.00 0.00 -2.07 0.00 0.00 38.32 37.07 3hye h ASN 77 CO -0.19 0.89 -0.67 0.28 0.07 0.00 0.00 177.43 177.81 3hye h SER 78 N 0.31 0.54 -0.40 6.14 0.02 -1.29 -2.44 113.55 116.43 3hye h SER 78 Ca 0.01 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 3hye h SER 78 Cb 1.04 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 3hye h SER 78 CO 0.09 1.06 0.12 0.00 -1.14 0.00 0.00 176.83 176.96 3hye h ALA 79 N 0.94 0.52 -0.49 3.77 0.00 -0.96 -1.57 119.26 121.47 3hye h ALA 79 Ca -0.02 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.77 3hye h ALA 79 Cb 1.23 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 3hye h ALA 79 CO 0.12 0.17 0.22 0.00 0.00 0.00 0.00 179.25 179.76 3hye h ALA 80 N 0.97 0.62 -0.60 0.00 0.00 -1.22 0.19 119.26 119.22 3hye h ALA 80 Ca 0.13 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3hye h ALA 80 Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hye h ALA 80 CO -0.00 -0.14 0.08 -0.09 0.00 0.00 0.00 179.25 179.09 3hye h ARG 81 N 0.44 1.00 -0.49 0.00 9.65 -1.31 -1.93 114.38 121.74 3hye h ARG 81 Ca 0.22 -0.28 0.01 0.00 -1.10 0.00 0.00 59.98 58.83 3hye h ARG 81 Cb 0.17 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 3hye h ARG 81 CO -0.18 0.96 0.32 -0.97 2.80 0.00 0.00 179.97 182.89 3hye h ASN 82 N 0.91 0.54 -0.16 -3.80 -0.00 -0.50 -1.91 115.58 110.65 3hye h ASN 82 Ca 0.18 -0.01 -0.04 0.00 -0.00 0.00 0.00 56.30 56.43 3hye h ASN 82 Cb 0.45 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.63 3hye h ASN 82 CO 0.02 0.39 0.01 0.40 -0.00 0.00 0.00 177.43 178.24 3hye h ILE 83 N 0.64 1.16 -0.59 2.57 2.04 -0.39 -1.90 117.51 121.05 3hye h ILE 83 Ca 0.18 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.44 3hye h ILE 83 Cb -0.05 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3hye h ILE 83 CO -0.05 0.21 0.39 -0.61 0.00 0.00 0.00 178.15 178.08 3hye h GLN 84 N 0.38 0.77 -0.12 2.37 4.15 -0.56 -0.88 115.11 121.23 3hye h GLN 84 Ca 0.09 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.36 3hye h GLN 84 Cb 0.24 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3hye h GLN 84 CO 0.01 0.51 -0.38 0.45 -1.93 0.00 0.00 178.83 177.48 3hye h HIS 85 N 0.79 0.30 -0.31 3.99 3.86 -1.12 0.14 115.15 122.82 3hye h HIS 85 Ca 0.21 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.32 3hye h HIS 85 Cb -0.09 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 3hye h HIS 85 CO -0.03 0.61 0.09 -0.07 0.86 0.00 0.00 177.93 179.39 3hye h LEU 86 N 0.22 0.45 -0.13 2.43 3.38 -0.73 -1.09 115.31 119.84 3hye h LEU 86 Ca 0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3hye h LEU 86 Cb 0.78 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3hye h LEU 86 CO 0.06 0.54 -0.13 -0.07 0.09 0.00 0.00 178.44 178.93 3hye h LEU 87 N 0.33 0.34 -1.68 1.67 3.38 -0.98 -3.08 115.31 115.30 3hye h LEU 87 Ca 0.10 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3hye h LEU 87 Cb 0.26 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3hye h LEU 87 CO -0.00 0.75 0.00 0.22 0.09 0.00 0.00 178.44 179.50 3hye h TYR 88 N -0.06 0.00 0.00 1.13 5.03 -0.69 -1.24 116.97 121.14 3hye h TYR 88 Ca 0.02 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 3hye h TYR 88 Cb 0.65 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.93 3hye h TYR 88 CO 0.08 0.00 -0.12 0.78 -1.32 0.00 0.00 178.16 177.59 3hye h GLY 89 N 1.36 0.00 -3.09 1.82 0.00 -1.10 -1.82 103.07 100.24 3hye h GLY 89 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.92 3hye h GLY 89 CO 0.00 0.00 0.07 0.28 0.00 0.00 0.00 176.54 176.89 3hye n LYS 90 N -3.98 2.44 -0.09 4.80 5.02 -0.47 -4.76 118.16 121.11 3hye n LYS 90 Ca -0.02 -3.40 0.25 0.00 -2.02 0.00 0.00 58.31 53.12 3hye n LYS 90 Cb 0.20 -2.06 0.71 0.00 -0.02 0.00 0.00 35.03 33.86 3hye n LYS 90 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3hye h ARG 91 N 1.46 0.00 -0.41 1.97 9.65 -1.36 0.27 114.38 125.95 3hye h ARG 91 Ca 0.40 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.28 3hye h ARG 91 Cb 1.62 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.20 3hye h ARG 91 CO 0.83 0.00 0.00 1.19 2.80 0.00 0.00 179.97 184.79 3hye n PHE 92 N -4.25 1.03 -2.69 2.20 3.72 -1.26 -4.48 117.46 111.73 3hye n PHE 92 Ca 0.15 -0.69 -0.05 0.00 -0.05 0.00 0.00 57.45 56.80 3hye n PHE 92 Cb 0.81 -0.23 0.09 0.00 -0.94 0.00 0.00 39.48 39.21 3hye n PHE 92 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3hye n PHE 93 N 0.28 -1.31 -1.36 1.38 7.35 -0.35 -5.17 117.46 118.28 3hye n PHE 93 Ca 0.20 -1.10 -0.36 0.00 -0.76 0.00 0.00 57.45 55.43 3hye n PHE 93 Cb 0.78 1.28 0.07 0.00 0.35 0.00 0.00 39.48 41.97 3hye n PHE 93 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 3hye n PRO 94 N 1.04 0.48 -2.82 -7.13 -0.02 0.79 -4.77 135.00 122.58 3hye n PRO 94 Ca 0.01 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 3hye n PRO 94 Cb 0.71 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 32.11 3hye n PRO 94 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3hye s TYR 95 N -1.80 3.14 -1.36 6.00 1.51 -1.26 -4.92 117.35 118.65 3hye s TYR 95 Ca 0.71 0.87 -0.14 0.00 -1.01 0.00 0.00 57.07 57.50 3hye s TYR 95 Cb -0.36 -3.51 -0.01 0.00 -0.11 0.00 0.00 41.96 37.97 3hye s TYR 95 CO 0.53 -0.72 2.28 0.98 -1.11 0.00 0.00 175.55 177.50 3hye n TYR 96 N 6.59 3.05 -4.01 2.71 9.36 -1.26 -4.71 117.16 128.89 3hye n TYR 96 Ca 0.07 -2.78 -0.08 0.00 3.32 0.00 0.00 57.90 58.44 3hye n TYR 96 Cb 0.48 -2.39 -0.09 0.00 -0.63 0.00 0.00 39.34 36.71 3hye n TYR 96 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 3hye s VAL 97 N 3.34 0.19 -0.28 2.97 -7.23 -1.26 -1.15 120.40 116.99 3hye s VAL 97 Ca 0.52 -1.59 -0.03 0.00 -1.81 0.00 0.00 61.98 59.07 3hye s VAL 97 Cb 0.14 -1.44 0.03 0.00 0.56 0.00 0.00 36.38 35.67 3hye s VAL 97 CO -0.05 -0.88 -0.00 -2.28 -0.31 0.00 0.00 175.10 171.58 3hye s HIS 98 N -3.86 3.17 0.03 2.82 2.46 0.12 -3.54 115.29 116.48 3hye s HIS 98 Ca 0.06 -1.57 0.03 0.00 0.47 0.00 0.00 55.06 54.05 3hye s HIS 98 Cb 0.07 -2.13 -0.04 0.00 -0.13 0.00 0.00 32.58 30.35 3hye s HIS 98 CO -0.10 -0.73 -0.01 -0.08 -2.47 0.00 0.00 174.74 171.35 3hye s THR 99 N 1.33 4.04 -0.02 0.89 -1.32 -1.21 -1.25 115.64 118.12 3hye s THR 99 Ca -0.02 -0.74 0.00 0.00 -1.21 0.00 0.00 61.69 59.72 3hye s THR 99 Cb -0.18 -2.83 0.02 0.00 -1.51 0.00 0.00 72.50 67.99 3hye s THR 99 CO -0.01 0.30 0.02 -0.63 -2.21 0.00 0.00 174.62 172.09 3hye s ILE 100 N -1.14 -0.02 0.17 5.08 1.01 0.01 0.10 121.20 126.41 3hye s ILE 100 Ca 0.21 0.15 0.11 0.00 0.00 0.00 0.00 60.65 61.11 3hye s ILE 100 Cb -0.12 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 42.23 3hye s ILE 100 CO 0.12 0.07 -0.23 0.27 0.00 0.00 0.00 174.94 175.17 3hye s ILE 101 N 0.77 2.19 0.04 2.92 -4.36 -0.45 -1.16 121.20 121.15 3hye s ILE 101 Ca -0.07 -1.91 0.02 0.00 -0.26 0.00 0.00 60.65 58.43 3hye s ILE 101 Cb -0.09 -2.00 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 3hye s ILE 101 CO -0.02 -0.10 -0.06 0.00 0.24 0.00 0.00 174.94 175.00 3hye s ALA 102 N -1.56 0.44 0.00 2.27 0.00 0.37 -1.61 121.76 121.67 3hye s ALA 102 Ca 0.17 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3hye s ALA 102 Cb -0.08 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3hye s ALA 102 CO 0.08 -0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.19 3hye n GLY 103 N 1.52 -0.86 3.12 0.00 0.00 -0.21 -1.41 105.19 107.35 3hye n GLY 103 Ca -0.23 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 3hye n GLY 103 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hye s LEU 104 N 0.00 2.01 0.00 0.99 1.43 -1.26 -0.45 118.68 121.40 3hye s LEU 104 Ca 0.00 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 52.80 3hye s LEU 104 Cb 0.00 -0.79 0.04 0.00 0.03 0.00 0.00 46.19 45.47 3hye s LEU 104 CO 0.00 0.18 0.19 -0.90 0.23 0.00 0.00 176.35 176.05 3hye n ASP 105 N 2.75 -0.44 0.00 2.29 5.68 0.02 -4.38 116.55 122.48 3hye n ASP 105 Ca -0.15 -0.89 0.09 0.00 -0.50 0.00 0.00 54.79 53.35 3hye n ASP 105 Cb 0.55 -0.15 0.52 0.00 -1.14 0.00 0.00 41.12 40.89 3hye n ASP 105 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3hye n GLU 106 N -1.65 0.40 -0.19 0.11 1.02 -1.26 -2.13 120.64 116.94 3hye n GLU 106 Ca 0.02 0.07 0.08 0.00 -0.02 0.00 0.00 57.16 57.31 3hye n GLU 106 Cb 0.09 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.19 3hye n GLU 106 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hye n ASP 10 N -1.18 3.07 0.00 1.62 10.43 -1.26 -4.95 116.55 124.28 3hye n ASP 10 Ca 0.11 -1.91 0.00 0.00 2.57 0.00 0.00 54.79 55.56 3hye n ASP 10 Cb 0.12 -0.24 0.00 0.00 1.84 0.00 0.00 41.12 42.84 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 10 N 0.95 0.80 3.84 0.44 0.00 -0.91 -5.04 105.19 105.28 3hye n GLY 10 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3hye n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hye s LYS 107 N -0.10 3.95 0.29 1.61 -0.14 -1.26 -4.49 119.74 119.61 3hye s LYS 107 Ca 0.00 0.93 -0.29 0.00 -1.36 0.00 0.00 55.97 55.24 3hye s LYS 107 Cb 0.00 -2.16 -0.10 0.00 -1.68 0.00 0.00 37.83 33.89 3hye s LYS 107 CO 0.00 -0.24 1.30 0.20 -0.76 0.00 0.00 175.35 175.85 3hye s GLY 108 N -3.02 2.84 -0.01 -3.33 0.00 -1.02 -0.80 107.32 101.99 3hye s GLY 108 Ca 0.58 1.20 0.00 0.00 0.00 0.00 0.00 44.72 46.50 3hye s GLY 108 CO 0.30 1.93 -0.00 0.00 0.00 0.00 0.00 173.10 175.33 3hye s ALA 109 N -0.80 0.11 -0.02 3.20 0.00 0.40 -4.70 121.76 119.96 3hye s ALA 109 Ca 0.51 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.51 3hye s ALA 109 Cb -0.38 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 3hye s ALA 109 CO 0.48 -0.00 -0.09 0.08 0.00 0.00 0.00 175.76 176.23 3hye s VAL 110 N 0.20 0.71 -0.05 0.00 1.01 -1.24 -1.05 120.40 119.99 3hye s VAL 110 Ca -0.02 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.63 3hye s VAL 110 Cb -0.03 -0.62 0.01 0.00 0.00 0.00 0.00 36.38 35.74 3hye s VAL 110 CO -0.01 0.22 -0.11 -0.31 0.00 0.00 0.00 175.10 174.89 3hye s TYR 111 N 0.02 1.26 -0.04 5.22 2.02 -0.63 -0.04 117.35 125.16 3hye s TYR 111 Ca -0.00 -0.42 0.06 0.00 -0.37 0.00 0.00 57.07 56.34 3hye s TYR 111 Cb -0.06 -0.93 -0.02 0.00 -0.40 0.00 0.00 41.96 40.55 3hye s TYR 111 CO 0.00 -0.22 -0.22 -1.54 -1.57 0.00 0.00 175.55 172.00 3hye s SER 112 N 0.56 3.39 0.25 2.29 1.04 -0.99 -1.34 113.70 118.90 3hye s SER 112 Ca -0.11 -0.38 0.11 0.00 0.48 0.00 0.00 55.95 56.04 3hye s SER 112 Cb -0.14 -0.60 -0.05 0.00 0.10 0.00 0.00 66.02 65.34 3hye s SER 112 CO 0.02 0.32 -0.12 -0.36 0.98 0.00 0.00 173.24 174.08 3hye s PHE 113 N -0.57 2.49 0.56 5.02 0.40 0.29 -2.73 117.98 123.44 3hye s PHE 113 Ca 0.08 -0.28 -0.08 0.00 -0.60 0.00 0.00 56.93 56.06 3hye s PHE 113 Cb -0.11 -1.13 -0.03 0.00 0.51 0.00 0.00 43.02 42.26 3hye s PHE 113 CO 0.00 0.63 0.92 0.34 0.70 0.00 0.00 175.22 177.81 3hye s ASP 114 N -3.38 6.18 0.54 1.36 3.68 0.86 -3.33 116.67 122.58 3hye s ASP 114 Ca 0.29 1.15 0.29 0.00 2.13 0.00 0.00 52.55 56.40 3hye s ASP 114 Cb -0.06 -2.30 1.53 0.00 -1.45 0.00 0.00 42.92 40.64 3hye s ASP 114 CO 0.16 -0.77 2.10 -0.65 0.13 0.00 0.00 175.17 176.15 3hye h PRO 115 N -0.08 0.00 -0.40 4.34 0.11 -1.84 -2.84 132.00 131.29 3hye h PRO 115 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hye h PRO 115 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hye h PRO 115 CO 0.62 0.10 0.00 1.33 -0.21 0.00 0.00 178.00 179.83 3hye n VAL 116 N -3.61 2.43 0.00 3.15 0.24 -1.26 -4.17 118.33 115.11 3hye n VAL 116 Ca -0.02 -1.65 0.00 0.00 -2.04 0.00 0.00 64.34 60.63 3hye n VAL 116 Cb 0.22 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 3hye n VAL 116 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hye n GLY 117 N 0.01 0.41 3.73 7.63 0.00 -1.07 -3.79 105.19 112.11 3hye n GLY 117 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 3hye n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hye s SER 118 N -2.23 7.05 0.07 1.61 0.15 -1.26 -4.67 113.70 114.43 3hye s SER 118 Ca 0.00 2.20 -0.04 0.00 0.70 0.00 0.00 55.95 58.80 3hye s SER 118 Cb 0.00 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.69 3hye s SER 118 CO 0.00 -0.43 0.07 -0.72 1.20 0.00 0.00 173.24 173.36 3hye s TYR 119 N 0.34 0.37 -0.05 3.44 -0.85 -1.26 -0.10 117.35 119.24 3hye s TYR 119 Ca 0.56 -0.86 -0.16 0.00 -0.52 0.00 0.00 57.07 56.09 3hye s TYR 119 Cb -0.32 -0.24 0.03 0.00 0.38 0.00 0.00 41.96 41.81 3hye s TYR 119 CO 0.34 -0.46 0.37 -2.00 -1.52 0.00 0.00 175.55 172.28 3hye s GLU 120 N -3.90 0.65 0.07 -3.49 2.56 -1.10 -5.01 118.70 108.48 3hye s GLU 120 Ca 0.07 0.04 -0.23 0.00 0.00 0.00 0.00 54.97 54.85 3hye s GLU 120 Cb 0.07 0.30 -0.06 0.00 2.00 0.00 0.00 34.13 36.43 3hye s GLU 120 CO -0.10 -0.16 0.69 0.50 -0.56 0.00 0.00 175.26 175.63 3hye s ARG 121 N -0.92 4.42 0.15 4.30 3.52 -1.26 -2.34 118.95 126.82 3hye s ARG 121 Ca -0.10 0.95 -0.00 0.00 -0.13 0.00 0.00 55.73 56.45 3hye s ARG 121 Cb -0.04 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 3hye s ARG 121 CO 0.04 0.44 0.05 -1.21 -0.81 0.00 0.00 175.30 173.81 3hye s GLU 122 N -0.55 1.00 -0.08 5.12 2.02 0.95 -4.98 118.70 122.18 3hye s GLU 122 Ca 0.34 -1.48 -0.27 0.00 0.02 0.00 0.00 54.97 53.58 3hye s GLU 122 Cb -0.20 0.11 -0.23 0.00 0.10 0.00 0.00 34.13 33.91 3hye s GLU 122 CO 0.22 -0.24 1.01 0.37 0.02 0.00 0.00 175.26 176.64 3hye h GLN 123 N 2.80 0.05 -2.45 1.61 5.75 -1.93 -3.29 115.11 117.65 3hye h GLN 123 Ca -0.36 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.01 3hye h GLN 123 Cb 1.20 0.01 -0.21 0.00 1.07 0.00 0.00 27.48 29.56 3hye h GLN 123 CO 0.60 0.80 -0.04 0.00 -2.65 0.00 0.00 178.83 177.53 3hye s ARG 125 N -0.61 0.35 -0.02 0.00 6.06 -0.02 -4.99 118.95 119.72 3hye s ARG 125 Ca -0.07 0.81 -0.08 0.00 -2.50 0.00 0.00 55.73 53.90 3hye s ARG 125 Cb -0.03 0.03 -0.05 0.00 0.06 0.00 0.00 34.95 34.97 3hye s ARG 125 CO 0.05 -0.18 0.26 0.00 -2.50 0.00 0.00 175.30 172.92 3hye s ALA 126 N 1.66 3.84 0.04 6.12 0.00 -1.26 -1.07 121.76 131.08 3hye s ALA 126 Ca -0.08 -0.54 0.03 0.00 0.00 0.00 0.00 51.96 51.37 3hye s ALA 126 Cb -0.09 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 3hye s ALA 126 CO -0.12 0.62 -0.10 0.20 0.00 0.00 0.00 175.76 176.36 3hye s GLY 127 N -1.45 0.60 0.00 0.00 0.00 0.21 -4.83 107.32 101.85 3hye s GLY 127 Ca 0.24 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.22 3hye s GLY 127 CO 0.13 -0.75 0.00 0.61 0.00 0.00 0.00 173.10 173.09 3hye n GLY 128 N 1.77 -1.44 0.45 0.20 0.00 -1.26 -0.01 105.19 104.89 3hye n GLY 128 Ca -0.20 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.62 3hye n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hye h ALA 129 N 0.00 -0.75 -0.25 4.61 0.00 -1.65 -2.42 119.26 118.80 3hye h ALA 129 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hye h ALA 129 Cb 0.00 1.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hye h ALA 129 CO 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 179.25 178.22 3hye n ALA 130 N -3.07 2.51 -0.34 0.00 0.00 -1.26 -4.39 120.51 113.96 3hye n ALA 130 Ca -0.03 -0.48 0.15 0.00 0.00 0.00 0.00 53.44 53.08 3hye n ALA 130 Cb 0.35 -0.99 0.35 0.00 0.00 0.00 0.00 19.45 19.16 3hye n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hye h ALA 131 N 3.40 1.67 0.00 0.00 0.00 -1.68 0.30 119.26 122.95 3hye h ALA 131 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3hye h ALA 131 Cb 0.42 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hye h ALA 131 CO 0.02 -0.24 -0.04 0.66 0.00 0.00 0.00 179.25 179.65 3hye h SER 132 N 0.58 0.00 0.62 0.00 4.64 -1.82 -1.88 113.55 115.68 3hye h SER 132 Ca 0.61 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.65 3hye h SER 132 Cb 1.11 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 3hye h SER 132 CO -0.47 0.04 -1.47 -0.07 -0.87 0.00 0.00 176.83 174.00 3hye h LEU 133 N 0.00 0.11 0.15 5.97 4.07 -0.76 -3.41 115.31 121.44 3hye h LEU 133 Ca -0.00 -0.17 -0.33 0.00 0.08 0.00 0.00 57.88 57.46 3hye h LEU 133 Cb 0.51 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 3hye h LEU 133 CO 0.01 1.14 -1.67 0.40 -1.08 0.00 0.00 178.44 177.23 3hye h ILE 134 N 0.02 0.90 -0.67 1.22 2.04 -1.15 -3.39 117.51 116.47 3hye h ILE 134 Ca -0.20 -2.43 0.11 0.00 1.00 0.00 0.00 64.86 63.34 3hye h ILE 134 Cb 1.94 2.68 -0.08 0.00 -0.74 0.00 0.00 36.82 40.62 3hye h ILE 134 CO 0.11 0.80 0.26 0.24 0.00 0.00 0.00 178.15 179.57 3hye h MET 135 N -0.07 0.42 -0.71 2.37 2.86 -1.57 -1.68 114.93 116.56 3hye h MET 135 Ca -0.35 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.31 3hye h MET 135 Cb 1.95 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 33.47 3hye h MET 135 CO 0.11 0.28 0.43 -1.35 1.06 0.00 0.00 176.91 177.44 3hye h PRO 136 N 0.43 0.79 0.17 -0.22 0.11 -1.79 -0.40 132.00 131.10 3hye h PRO 136 Ca 0.35 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 66.42 3hye h PRO 136 Cb 0.47 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3hye h PRO 136 CO -0.34 0.52 -0.23 0.35 -0.21 0.00 0.00 178.00 178.09 3hye h PHE 137 N 0.82 -0.61 -0.98 0.65 3.57 -1.54 -2.52 116.94 116.33 3hye h PHE 137 Ca 0.30 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.84 3hye h PHE 137 Cb 0.09 0.25 -0.06 0.00 2.79 0.00 0.00 35.95 39.02 3hye h PHE 137 CO -0.05 -0.33 0.65 -0.07 -2.23 0.00 0.00 178.31 176.27 3hye h LEU 138 N -0.46 1.08 -1.21 0.59 4.07 -0.90 0.11 115.31 118.58 3hye h LEU 138 Ca 0.01 -0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.01 3hye h LEU 138 Cb 0.45 -0.25 -0.05 0.00 1.08 0.00 0.00 40.66 41.89 3hye h LEU 138 CO -0.09 0.74 0.55 0.44 -1.08 0.00 0.00 178.44 179.00 3hye h ASP 139 N 1.25 0.85 0.03 -0.43 3.32 -0.69 0.18 116.42 120.94 3hye h ASP 139 Ca 0.39 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.35 3hye h ASP 139 Cb -0.00 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.37 3hye h ASP 139 CO -0.12 0.56 -0.36 -1.13 -1.72 0.00 0.00 179.24 176.47 3hye h ASN 140 N 0.98 0.26 0.62 6.45 -0.00 -0.87 -1.16 115.58 121.86 3hye h ASN 140 Ca 0.35 -0.86 0.00 0.00 -0.00 0.00 0.00 56.30 55.80 3hye h ASN 140 Cb 0.15 -0.08 0.00 0.00 -0.00 0.00 0.00 38.32 38.39 3hye h ASN 140 CO -0.12 1.09 -0.70 0.00 -0.00 0.00 0.00 177.43 177.70 3hye n GLN 141 N -4.41 0.19 -0.06 6.67 1.13 0.27 -2.46 117.38 118.71 3hye n GLN 141 Ca -0.11 0.03 -0.08 0.00 -1.94 0.00 0.00 57.00 54.91 3hye n GLN 141 Cb 0.59 -1.60 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 3hye n GLN 141 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3hye n VAL 142 N -1.87 0.67 -0.22 5.09 0.31 0.64 -4.62 118.33 118.33 3hye n VAL 142 Ca 0.04 -0.27 0.08 0.00 -0.01 0.00 0.00 64.34 64.18 3hye n VAL 142 Cb 0.40 -0.91 0.21 0.00 -0.91 0.00 0.00 33.84 32.64 3hye n VAL 142 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3hye n ASN 143 N -2.81 3.30 -3.83 4.52 3.02 -1.15 -4.98 115.26 113.33 3hye n ASN 143 Ca -0.20 -1.99 -0.30 0.00 -0.03 0.00 0.00 54.58 52.06 3hye n ASN 143 Cb 0.73 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 39.55 3hye n ASN 143 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3hye n PHE 144 N 0.96 -1.72 -1.98 3.10 3.72 -1.03 -4.90 117.46 115.61 3hye n PHE 144 Ca 0.16 0.61 -0.40 0.00 -0.05 0.00 0.00 57.45 57.78 3hye n PHE 144 Cb 0.50 -2.69 -0.01 0.00 -0.94 0.00 0.00 39.48 36.34 3hye n PHE 144 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3hye s LYS 14 N -6.50 4.06 0.00 -1.08 -0.14 -0.46 -2.62 119.74 113.00 3hye s LYS 14 Ca 0.58 2.30 0.00 0.00 -1.36 0.00 0.00 55.97 57.49 3hye s LYS 14 Cb -0.32 -2.87 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 3hye s LYS 14 CO 0.72 -0.47 0.00 0.09 -0.76 0.00 0.00 175.35 174.93 3hye n ASN 14 N 0.32 -3.85 -4.55 2.83 4.13 -1.26 -4.60 115.26 108.29 3hye n ASN 14 Ca 0.02 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.93 3hye n ASN 14 Cb 0.42 -2.41 -0.11 0.00 -1.54 0.00 0.00 39.78 36.14 3hye n ASN 14 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3hye s GLN 14 N -1.24 3.81 0.45 3.52 -0.21 -1.08 -5.10 119.66 119.82 3hye s GLN 14 Ca 0.00 -0.42 0.05 0.00 0.02 0.00 0.00 55.36 55.01 3hye s GLN 14 Cb 0.00 -3.20 -0.05 0.00 1.00 0.00 0.00 33.01 30.75 3hye s GLN 14 CO 0.00 0.10 0.01 0.71 -2.12 0.00 0.00 175.29 173.99 3hye s TYR 14 N 0.81 2.25 -0.21 0.91 2.02 -1.26 -1.80 117.35 120.07 3hye s TYR 14 Ca 0.03 -0.79 -0.29 0.00 -0.37 0.00 0.00 57.07 55.64 3hye s TYR 14 Cb -0.14 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 3hye s TYR 14 CO 0.02 0.35 1.33 -1.21 -1.57 0.00 0.00 175.55 174.47 3hye s GLU 14 N -3.78 4.08 -0.10 -0.62 0.41 0.90 -4.58 118.70 115.01 3hye s GLU 14 Ca 0.24 1.54 -0.38 0.00 -0.41 0.00 0.00 54.97 55.96 3hye s GLU 14 Cb 0.07 -3.84 -0.15 0.00 -1.78 0.00 0.00 34.13 28.42 3hye s GLU 14 CO 0.12 -0.91 1.62 -2.30 -0.49 0.00 0.00 175.26 173.30 3hye n PRO 14 N 6.98 1.37 0.00 0.39 -0.02 -1.26 -0.73 135.00 141.73 3hye n PRO 14 Ca 0.15 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3hye n PRO 14 Cb 0.45 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 3hye n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hye n GLY 14 N 3.62 3.43 0.00 -1.23 0.00 -1.26 -4.91 105.19 104.84 3hye n GLY 14 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 3hye n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hye n THR 14 N -1.88 0.00 -3.45 2.61 -2.24 0.09 -4.87 114.28 104.54 3hye n THR 14 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 3hye n THR 14 Cb 0.00 -0.42 0.07 0.00 -2.10 0.00 0.00 70.33 67.88 3hye n THR 14 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hye n ASN 1 N -0.91 -5.02 -2.14 3.42 4.05 -1.26 -1.31 115.26 112.09 3hye n ASN 1 Ca 0.19 -0.51 -0.13 0.00 0.45 0.00 0.00 54.58 54.58 3hye n ASN 1 Cb 0.09 -4.64 -0.02 0.00 1.23 0.00 0.00 39.78 36.44 3hye n ASN 1 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3hye n GLY 14 N -1.69 -0.00 0.03 8.20 0.00 -1.26 -4.80 105.19 105.66 3hye n GLY 14 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.07 3hye n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hye n LYS 14 N -2.57 0.30 -0.94 1.61 4.76 -0.43 -5.01 118.16 115.88 3hye n LYS 14 Ca -0.15 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 3hye n LYS 14 Cb 0.57 -1.57 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 3hye n LYS 14 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3hye n VAL 14 N -1.94 0.00 -4.17 -0.18 0.31 -1.26 -5.07 118.33 106.02 3hye n VAL 14 Ca 0.01 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.00 3hye n VAL 14 Cb 0.44 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.25 3hye n VAL 14 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3hye s LYS 14 N -0.41 3.69 0.29 5.55 2.20 -0.75 -0.07 119.74 130.25 3hye s LYS 14 Ca 0.00 -0.49 -0.30 0.00 -0.36 0.00 0.00 55.97 54.82 3hye s LYS 14 Cb 0.00 -3.05 -0.12 0.00 -1.51 0.00 0.00 37.83 33.14 3hye s LYS 14 CO 0.00 0.12 1.46 -0.35 -0.36 0.00 0.00 175.35 176.22 3hye n PRO 14 N 3.92 2.35 -0.52 4.03 -0.04 -1.26 -4.90 135.00 138.58 3hye n PRO 14 Ca -0.17 0.83 -0.03 0.00 -0.04 0.00 0.00 63.50 64.09 3hye n PRO 14 Cb 0.52 -2.53 -0.05 0.00 -0.04 0.00 0.00 33.50 31.41 3hye n PRO 14 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hye n LEU 14 N 1.71 4.05 -4.63 1.53 4.77 -1.26 -4.95 117.00 118.22 3hye n LEU 14 Ca 0.08 -2.10 -0.46 0.00 -0.03 0.00 0.00 56.01 53.50 3hye n LEU 14 Cb 0.35 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.47 3hye n LEU 14 CO 0.63 0.92 0.83 1.17 -1.33 0.00 0.00 177.39 179.61 3hye n LYS 14 N 2.00 1.63 -3.59 3.23 4.81 -1.26 -4.92 118.16 120.06 3hye n LYS 14 Ca 0.12 0.58 -0.37 0.00 -0.87 0.00 0.00 58.31 57.78 3hye n LYS 14 Cb 0.50 -2.12 -0.06 0.00 0.02 0.00 0.00 35.03 33.37 3hye n LYS 14 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 3hye s TYR 145 N -0.37 3.66 0.55 5.64 6.14 -1.26 -5.07 117.35 126.64 3hye s TYR 145 Ca 0.67 0.84 -0.19 0.00 0.64 0.00 0.00 57.07 59.03 3hye s TYR 145 Cb -0.72 -2.18 -0.06 0.00 0.42 0.00 0.00 41.96 39.42 3hye s TYR 145 CO 0.53 0.61 1.11 -0.51 0.64 0.00 0.00 175.55 177.94 3hye s LEU 146 N -1.39 3.72 0.60 6.97 1.43 -1.26 -5.04 118.68 123.71 3hye s LEU 146 Ca 0.26 2.12 -0.03 0.00 -1.03 0.00 0.00 54.13 55.45 3hye s LEU 146 Cb -0.15 -4.57 0.04 0.00 0.03 0.00 0.00 46.19 41.53 3hye s LEU 146 CO 0.14 -1.20 0.87 -0.94 0.23 0.00 0.00 176.35 175.44 3hye s SER 147 N -1.90 5.18 0.40 2.29 1.04 -1.26 -4.54 113.70 114.92 3hye s SER 147 Ca 0.71 0.27 0.08 0.00 0.48 0.00 0.00 55.95 57.49 3hye s SER 147 Cb -0.22 -1.11 0.83 0.00 0.10 0.00 0.00 66.02 65.62 3hye s SER 147 CO 0.28 -1.27 1.99 1.62 0.98 0.00 0.00 173.24 176.84 3hye h VAL 148 N -0.18 1.13 -0.39 5.02 3.04 -1.99 -0.66 116.25 122.22 3hye h VAL 148 Ca -0.44 -0.45 -0.15 0.00 -1.01 0.00 0.00 66.70 64.64 3hye h VAL 148 Cb 1.30 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 3hye h VAL 148 CO 0.57 0.16 -0.36 -0.33 -1.01 0.00 0.00 177.57 176.60 3hye h GLU 149 N 0.39 0.93 -0.24 4.17 3.07 -1.99 -0.67 114.58 120.24 3hye h GLU 149 Ca 0.10 -0.48 -0.14 0.00 -0.50 0.00 0.00 59.36 58.33 3hye h GLU 149 Cb 0.15 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3hye h GLU 149 CO -0.00 1.13 -0.44 1.49 -1.40 0.00 0.00 179.01 179.79 3hye h GLU 150 N 0.75 0.61 -0.02 2.33 4.57 -1.83 -2.59 114.58 118.39 3hye h GLU 150 Ca 0.06 -0.33 -0.00 0.00 -1.18 0.00 0.00 59.36 57.91 3hye h GLU 150 Cb 0.95 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3hye h GLU 150 CO 0.09 0.93 0.01 0.28 -1.18 0.00 0.00 179.01 179.13 3hye h VAL 151 N 0.49 1.19 -0.96 0.32 2.07 -1.00 -2.52 116.25 115.83 3hye h VAL 151 Ca 0.03 -0.56 0.15 0.00 0.82 0.00 0.00 66.70 67.15 3hye h VAL 151 Cb 0.96 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 32.17 3hye h VAL 151 CO 0.09 0.15 0.61 0.40 0.02 0.00 0.00 177.57 178.83 3hye h ILE 152 N -0.19 0.82 -0.28 4.57 1.08 -1.03 0.04 117.51 122.53 3hye h ILE 152 Ca 0.01 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 3hye h ILE 152 Cb 0.23 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 33.92 3hye h ILE 152 CO 0.00 0.15 0.16 0.11 -0.69 0.00 0.00 178.15 177.87 3hye h LYS 153 N 0.80 0.39 -0.75 2.37 1.57 -1.22 0.08 116.57 119.81 3hye h LYS 153 Ca 0.50 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 3hye h LYS 153 Cb 0.71 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 3hye h LYS 153 CO -0.27 0.34 0.39 -0.07 -0.57 0.00 0.00 179.45 179.27 3hye h LEU 154 N 0.34 0.95 0.06 2.94 3.38 -0.76 -0.71 115.31 121.51 3hye h LEU 154 Ca 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3hye h LEU 154 Cb 0.06 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3hye h LEU 154 CO -0.02 0.79 -0.03 0.58 0.09 0.00 0.00 178.44 179.85 3hye h VAL 155 N 1.04 0.93 -0.89 1.22 2.07 -0.65 0.54 116.25 120.51 3hye h VAL 155 Ca 0.26 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 3hye h VAL 155 Cb 0.07 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 3hye h VAL 155 CO -0.04 0.00 0.48 0.03 0.02 0.00 0.00 177.57 178.06 3hye h ARG 156 N -0.09 1.24 -0.13 1.57 3.08 -0.68 -1.55 114.38 117.82 3hye h ARG 156 Ca -0.01 -0.15 -0.14 0.00 0.07 0.00 0.00 59.98 59.76 3hye h ARG 156 Cb 0.07 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3hye h ARG 156 CO 0.01 0.91 -0.51 -0.44 -1.07 0.00 0.00 179.97 178.87 3hye h ASP 157 N 1.24 0.39 -0.74 7.04 3.45 -0.98 -1.23 116.42 125.60 3hye h ASP 157 Ca 0.31 -0.20 -0.01 0.00 0.43 0.00 0.00 57.03 57.57 3hye h ASP 157 Cb 0.03 -0.11 -0.04 0.00 -0.56 0.00 0.00 39.33 38.66 3hye h ASP 157 CO -0.05 0.84 0.43 0.28 -1.57 0.00 0.00 179.24 179.17 3hye h SER 158 N 0.28 0.90 0.25 6.45 0.02 -0.26 -1.83 113.55 119.37 3hye h SER 158 Ca 0.01 -0.07 -0.28 0.00 -0.84 0.00 0.00 61.79 60.60 3hye h SER 158 Cb 1.00 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 63.33 3hye h SER 158 CO 0.09 0.71 -1.19 -0.26 -1.14 0.00 0.00 176.83 175.04 3hye h PHE 159 N 1.01 0.85 -0.12 3.45 -1.00 -1.10 -1.64 116.94 118.40 3hye h PHE 159 Ca 0.26 -0.54 -0.07 0.00 2.81 0.00 0.00 57.97 60.43 3hye h PHE 159 Cb -0.01 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 3hye h PHE 159 CO -0.01 1.38 -0.26 1.79 -1.61 0.00 0.00 178.31 179.60 3hye h THR 160 N 0.24 1.24 -0.03 -1.55 1.35 -1.20 0.24 112.91 113.20 3hye h THR 160 Ca -0.16 -1.12 -0.01 0.00 -0.55 0.00 0.00 66.41 64.57 3hye h THR 160 Cb 1.86 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 69.73 3hye h THR 160 CO 0.22 0.34 -0.03 0.28 -0.25 0.00 0.00 175.52 176.07 3hye h SER 161 N 0.19 0.08 -0.67 5.36 0.02 -1.34 -2.67 113.55 114.52 3hye h SER 161 Ca 0.03 -0.50 0.01 0.00 -0.84 0.00 0.00 61.79 60.50 3hye h SER 161 Cb 0.57 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 3hye h SER 161 CO 0.04 0.56 0.45 0.00 -1.14 0.00 0.00 176.83 176.74 3hye h ALA 162 N 0.52 1.55 0.00 3.77 0.00 -0.90 -1.14 119.26 123.07 3hye h ALA 162 Ca 0.00 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3hye h ALA 162 Cb 0.54 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3hye h ALA 162 CO 0.01 0.40 -0.18 1.15 0.00 0.00 0.00 179.25 180.63 3hye h THR 163 N 0.88 0.87 -0.00 0.00 2.02 -0.45 0.88 112.91 117.12 3hye h THR 163 Ca 0.25 -0.68 -0.21 0.00 0.77 0.00 0.00 66.41 66.55 3hye h THR 163 Cb -0.05 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3hye h THR 163 CO -0.06 0.18 -0.89 -0.33 0.37 0.00 0.00 175.52 174.79 3hye h GLU 164 N 0.00 0.27 -0.00 6.66 4.39 -0.86 -3.37 114.58 121.67 3hye h GLU 164 Ca -0.00 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3hye h GLU 164 Cb 0.38 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3hye h GLU 164 CO 0.02 1.00 -0.39 0.54 -1.16 0.00 0.00 179.01 179.03 3hye n ARG 165 N -3.70 3.11 -4.22 2.33 5.12 -1.03 -4.95 116.66 113.33 3hye n ARG 165 Ca -0.05 -0.22 -0.32 0.00 -1.93 0.00 0.00 57.85 55.34 3hye n ARG 165 Cb 0.81 -1.02 -0.16 0.00 -1.16 0.00 0.00 32.46 30.93 3hye n ARG 165 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3hye s HIS 166 N -1.76 2.49 -0.63 -1.55 2.46 0.28 -5.01 115.29 111.57 3hye s HIS 166 Ca 0.06 -1.39 0.16 0.00 0.47 0.00 0.00 55.06 54.35 3hye s HIS 166 Cb 0.08 -1.75 0.74 0.00 -0.13 0.00 0.00 32.58 31.52 3hye s HIS 166 CO 0.36 -0.70 1.49 0.44 -2.47 0.00 0.00 174.74 173.86 3hye n ILE 167 N 4.53 1.18 1.00 0.89 -5.35 -1.26 -2.03 119.36 118.32 3hye n ILE 167 Ca -0.19 0.43 0.11 0.00 -0.27 0.00 0.00 62.75 62.83 3hye n ILE 167 Cb 0.50 -1.36 0.07 0.00 -1.74 0.00 0.00 39.64 37.11 3hye n ILE 167 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3hye n GLN 168 N -1.93 0.02 -3.72 6.28 6.02 -1.26 -4.87 117.38 117.92 3hye n GLN 168 Ca 0.01 -0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 3hye n GLN 168 Cb 0.11 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.79 3hye n GLN 168 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hye s VAL 169 N -2.99 5.33 -4.13 5.09 1.01 -0.86 -4.11 120.40 119.73 3hye s VAL 169 Ca 0.10 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.24 3hye s VAL 169 Cb 0.17 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3hye s VAL 169 CO 0.78 0.40 0.00 0.61 0.00 0.00 0.00 175.10 176.89 3hye n GLY 170 N 3.84 -0.88 5.00 4.51 0.00 -1.26 -4.43 105.19 111.97 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 1.22 0.00 0.00 0.00 173.32 174.54 3hye n ASP 171 N 1.09 0.00 -3.47 1.61 8.00 -0.32 -3.85 116.55 119.61 3hye n ASP 171 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 3hye n ASP 171 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3hye n ASP 171 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hye s GLY 172 N 0.00 -0.55 -0.12 0.44 0.00 -1.26 -1.52 107.32 104.31 3hye s GLY 172 Ca 0.00 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.57 3hye s GLY 172 CO 0.00 0.37 -0.14 -2.27 0.00 0.00 0.00 173.10 171.07 3hye s LEU 173 N -2.36 1.64 -0.17 0.66 2.96 0.16 -0.02 118.68 121.55 3hye s LEU 173 Ca 0.00 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.51 3hye s LEU 173 Cb -0.01 -1.06 0.02 0.00 0.50 0.00 0.00 46.19 45.64 3hye s LEU 173 CO -0.08 -0.02 -0.20 -0.70 -1.32 0.00 0.00 176.35 174.04 3hye s GLU 174 N 1.18 3.02 -0.02 1.98 2.12 -0.84 -0.77 118.70 125.37 3hye s GLU 174 Ca -0.03 -0.83 0.03 0.00 0.36 0.00 0.00 54.97 54.50 3hye s GLU 174 Cb -0.14 -2.54 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 3hye s GLU 174 CO -0.04 -0.14 -0.08 0.42 -0.54 0.00 0.00 175.26 174.88 3hye s ILE 175 N 1.13 3.56 -0.18 -3.70 1.09 0.04 -2.15 121.20 120.99 3hye s ILE 175 Ca 0.01 -0.70 0.01 0.00 -1.10 0.00 0.00 60.65 58.87 3hye s ILE 175 Cb -0.14 -2.50 0.02 0.00 -1.06 0.00 0.00 42.46 38.78 3hye s ILE 175 CO -0.09 0.47 -0.20 -0.76 -0.10 0.00 0.00 174.94 174.27 3hye s LEU 176 N -1.17 2.15 -0.14 2.97 1.02 -0.81 -1.22 118.68 121.48 3hye s LEU 176 Ca 0.15 -0.64 -0.05 0.00 0.02 0.00 0.00 54.13 53.61 3hye s LEU 176 Cb -0.11 -1.49 -0.04 0.00 0.02 0.00 0.00 46.19 44.58 3hye s LEU 176 CO 0.05 0.00 0.04 -0.63 0.02 0.00 0.00 176.35 175.83 3hye s ILE 177 N 1.27 4.59 -0.14 -0.59 1.09 0.41 -1.56 121.20 126.27 3hye s ILE 177 Ca 0.04 -0.12 0.01 0.00 -1.10 0.00 0.00 60.65 59.48 3hye s ILE 177 Cb -0.13 -3.01 -0.00 0.00 -1.06 0.00 0.00 42.46 38.25 3hye s ILE 177 CO -0.12 0.53 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.39 3hye s VAL 178 N -0.15 2.62 0.33 2.92 1.01 0.53 -0.64 120.40 127.02 3hye s VAL 178 Ca 0.06 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.31 3hye s VAL 178 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 3hye s VAL 178 CO 0.02 0.53 0.25 0.42 0.00 0.00 0.00 175.10 176.31 3hye s THR 179 N 0.64 0.08 -0.43 3.92 -4.23 -0.60 -1.61 115.64 113.40 3hye s THR 179 Ca -0.09 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.60 3hye s THR 179 Cb -0.16 -2.48 0.18 0.00 1.34 0.00 0.00 72.50 71.39 3hye s THR 179 CO 0.03 0.00 1.55 2.29 -0.54 0.00 0.00 174.62 177.94 3hye n LYS 180 N -0.64 0.12 0.00 3.99 2.85 -1.26 -1.11 118.16 122.11 3hye n LYS 180 Ca 0.05 0.56 0.13 0.00 -1.05 0.00 0.00 58.31 57.99 3hye n LYS 180 Cb 0.63 -1.84 0.30 0.00 -0.65 0.00 0.00 35.03 33.46 3hye n LYS 180 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3hye n ASP 182 N -2.09 1.48 0.00 -5.58 8.00 -1.26 -5.06 116.55 112.03 3hye n ASP 182 Ca -0.00 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.28 3hye n ASP 182 Cb 0.07 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3hye n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hye n GLY 183 N 1.33 0.48 3.34 0.44 0.00 -0.27 -5.03 105.19 105.48 3hye n GLY 183 Ca 0.13 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.44 3.23 0.19 1.61 1.01 -1.26 -1.56 120.40 123.18 3hye s VAL 184 Ca 0.00 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.51 3hye s VAL 184 Cb 0.00 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3hye s VAL 184 CO 0.00 0.47 -0.13 -0.60 0.00 0.00 0.00 175.10 174.84 3hye s ARG 185 N 0.96 1.91 -0.01 2.72 3.52 0.18 -4.95 118.95 123.29 3hye s ARG 185 Ca -0.01 -1.35 0.06 0.00 -0.13 0.00 0.00 55.73 54.30 3hye s ARG 185 Cb -0.15 -2.07 -0.02 0.00 -1.56 0.00 0.00 34.95 31.16 3hye s ARG 185 CO -0.00 0.42 -0.20 0.15 -0.81 0.00 0.00 175.30 174.86 3hye s LYS 186 N -2.83 1.56 0.06 5.12 1.02 -1.26 -0.44 119.74 122.97 3hye s LYS 186 Ca 0.24 -0.73 0.05 0.00 0.02 0.00 0.00 55.97 55.55 3hye s LYS 186 Cb -0.08 -1.53 -0.03 0.00 -0.52 0.00 0.00 37.83 35.67 3hye s LYS 186 CO 0.14 0.42 -0.14 -1.21 -0.92 0.00 0.00 175.35 173.63 3hye s GLU 187 N -0.56 0.89 -0.01 1.68 2.02 -0.36 -4.99 118.70 117.36 3hye s GLU 187 Ca 0.07 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.21 3hye s GLU 187 Cb -0.08 -0.91 0.01 0.00 0.10 0.00 0.00 34.13 33.25 3hye s GLU 187 CO -0.00 0.21 -0.04 0.12 0.02 0.00 0.00 175.26 175.57 3hye s PHE 188 N -1.06 0.42 0.02 1.61 5.36 -1.26 -0.78 117.98 122.28 3hye s PHE 188 Ca 0.00 -0.07 0.02 0.00 -0.96 0.00 0.00 56.93 55.91 3hye s PHE 188 Cb -0.09 -0.33 -0.01 0.00 -0.34 0.00 0.00 43.02 42.25 3hye s PHE 188 CO 0.02 -0.05 -0.06 0.71 -1.46 0.00 0.00 175.22 174.38 3hye s TYR 189 N 0.23 0.52 0.54 10.12 1.51 0.05 -4.99 117.35 125.32 3hye s TYR 189 Ca -0.02 -0.26 -0.17 0.00 -1.01 0.00 0.00 57.07 55.61 3hye s TYR 189 Cb -0.06 -0.32 -0.06 0.00 -0.11 0.00 0.00 41.96 41.41 3hye s TYR 189 CO -0.00 -0.04 1.02 -1.21 -1.11 0.00 0.00 175.55 174.20 3hye s GLU 190 N -0.75 3.68 0.15 -0.62 0.41 -1.26 0.35 118.70 120.67 3hye s GLU 190 Ca -0.04 1.10 0.05 0.00 -0.41 0.00 0.00 54.97 55.68 3hye s GLU 190 Cb -0.05 -2.09 -0.04 0.00 -1.78 0.00 0.00 34.13 30.16 3hye s GLU 190 CO 0.00 -0.50 -0.11 -0.51 -0.49 0.00 0.00 175.26 173.64 3hye s LEU 191 N -4.17 2.52 0.34 1.80 1.43 -0.57 -4.72 118.68 115.30 3hye s LEU 191 Ca 0.62 -0.99 -0.28 0.00 -1.03 0.00 0.00 54.13 52.45 3hye s LEU 191 Cb -0.13 -0.41 -0.12 0.00 0.03 0.00 0.00 46.19 45.56 3hye s LEU 191 CO 0.32 -0.29 1.36 0.29 0.23 0.00 0.00 176.35 178.26 3hye n LYS 192 N -0.12 2.28 -0.31 1.70 5.02 -1.26 -3.40 118.16 122.06 3hye n LYS 192 Ca -0.11 0.80 0.09 0.00 -2.02 0.00 0.00 58.31 57.07 3hye n LYS 192 Cb 0.60 -2.43 0.26 0.00 -0.02 0.00 0.00 35.03 33.44 3hye n LYS 192 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hye n ARG 193 N 0.66 2.42 0.00 1.97 1.74 -1.26 -1.18 116.66 121.02 3hye n ARG 193 Ca 0.04 -2.09 0.14 0.00 -0.77 0.00 0.00 57.85 55.18 3hye n ARG 193 Cb 0.36 -1.48 0.52 0.00 -1.02 0.00 0.00 32.46 30.85 3hye n ARG 193 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71