#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 3.33 -0.33 3.69 5.36 -1.26 -5.02 117.98 123.76 3hye s PHE -8 Ca 0.00 1.30 -0.09 0.00 -0.96 0.00 0.00 56.93 57.19 3hye s PHE -8 Cb 0.00 -3.39 0.02 0.00 -0.34 0.00 0.00 43.02 39.31 3hye s PHE -8 CO 0.00 -1.15 0.14 1.21 -1.46 0.00 0.00 175.22 173.95 3hye s ASN -7 N 1.27 5.42 0.00 6.13 3.04 -1.26 -4.97 114.94 124.57 3hye s ASN -7 Ca 0.56 -0.82 0.17 0.00 0.04 0.00 0.00 52.86 52.82 3hye s ASN -7 Cb -0.26 -1.95 0.83 0.00 -1.54 0.00 0.00 41.25 38.34 3hye s ASN -7 CO 0.25 -0.27 1.50 -0.81 -3.04 0.00 0.00 177.10 174.74 3hye n PRO -6 N 4.92 0.21 -4.30 0.43 -0.04 -1.26 -4.80 135.00 130.15 3hye n PRO -6 Ca -0.13 0.14 -0.25 0.00 -0.04 0.00 0.00 63.50 63.22 3hye n PRO -6 Cb 0.47 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.63 2.66 0.24 0.54 1.51 -1.26 -5.08 117.35 113.33 3hye s TYR -5 Ca 0.15 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 55.88 3hye s TYR -5 Cb 0.11 -1.23 -0.01 0.00 -0.11 0.00 0.00 41.96 40.72 3hye s TYR -5 CO 0.26 0.58 0.42 0.20 -1.11 0.00 0.00 175.55 175.90 3hye s GLY -4 N -3.27 0.71 -0.16 0.71 0.00 -1.26 -5.16 107.32 98.89 3hye s GLY -4 Ca 0.28 -1.04 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 3hye s GLY -4 CO 0.18 -0.77 -0.05 -0.35 0.00 0.00 0.00 173.10 172.11 3hye s ASP -3 N -3.05 2.75 -0.17 1.64 3.68 -1.26 -4.13 116.67 116.14 3hye s ASP -3 Ca 0.26 -0.63 0.15 0.00 2.13 0.00 0.00 52.55 54.45 3hye s ASP -3 Cb 0.01 -0.87 0.72 0.00 -1.45 0.00 0.00 42.92 41.32 3hye s ASP -3 CO 0.10 -0.19 1.61 0.59 0.13 0.00 0.00 175.17 177.41 3hye n ASN -2 N 4.90 4.96 0.00 -0.34 4.13 -0.79 -4.47 115.26 123.64 3hye n ASN -2 Ca -0.12 -2.66 0.00 0.00 1.68 0.00 0.00 54.58 53.48 3hye n ASN -2 Cb 0.48 -0.62 0.00 0.00 -1.54 0.00 0.00 39.78 38.10 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 0.80 2.55 0.38 7.41 0.00 -1.26 -2.14 105.19 112.93 3hye n GLY -1 Ca 0.25 -0.45 0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.96 3.01 -0.02 0.00 -1.26 -4.34 105.19 99.62 3hye n GLY 1 Ca 0.00 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 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 -3.82 -0.02 0.15 2.61 2.01 -1.26 -1.83 115.64 113.48 3hye s THR 2 Ca 0.00 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.16 3hye s THR 2 Cb 0.00 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.20 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 0.65 1.71 -0.04 1.82 -5.25 0.98 -2.08 121.20 118.99 3hye s ILE 3 Ca -0.05 -1.86 -0.02 0.00 -0.99 0.00 0.00 60.65 57.74 3hye s ILE 3 Cb -0.06 -1.77 0.03 0.00 2.95 0.00 0.00 42.46 43.61 3hye s ILE 3 CO -0.03 -0.33 0.09 -0.22 -1.79 0.00 0.00 174.94 172.66 3hye s LEU 4 N -2.59 0.97 -0.12 0.37 2.96 0.16 0.43 118.68 120.86 3hye s LEU 4 Ca 0.14 0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.25 3hye s LEU 4 Cb -0.06 0.18 0.01 0.00 0.50 0.00 0.00 46.19 46.82 3hye s LEU 4 CO 0.06 -0.13 -0.18 -0.83 -1.32 0.00 0.00 176.35 173.95 3hye s GLY 5 N 1.01 1.17 -0.07 7.98 0.00 -0.38 0.10 107.32 117.14 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 -0.04 0.09 -0.12 -0.42 0.00 0.00 0.00 173.10 172.61 3hye s ILE 6 N 0.87 1.15 -0.30 0.90 1.01 -0.12 -0.99 121.20 123.72 3hye s ILE 6 Ca -0.08 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 59.94 3hye s ILE 6 Cb -0.15 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 3hye s ILE 6 CO -0.01 0.36 0.40 0.00 0.00 0.00 0.00 174.94 175.69 3hye s ALA 7 N 0.76 3.53 0.71 9.38 0.00 0.48 -0.50 121.76 136.12 3hye s ALA 7 Ca -0.13 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 3hye s ALA 7 Cb -0.16 -2.80 0.10 0.00 0.00 0.00 0.00 23.12 20.26 3hye s ALA 7 CO 0.03 -0.88 0.66 0.41 0.00 0.00 0.00 175.76 175.98 3hye n GLY 8 N 4.78 0.11 0.24 0.00 0.00 0.30 -4.92 105.19 105.71 3hye n GLY 8 Ca -0.08 -1.91 -0.06 0.00 0.00 0.00 0.00 46.02 43.97 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 0.59 0.00 1.61 4.81 -1.92 -2.74 114.58 116.94 3hye h GLU 9 Ca -0.22 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 58.65 3hye h GLU 9 Cb 0.73 -0.02 -0.24 0.00 0.63 0.00 0.00 28.75 29.85 3hye h GLU 9 CO 0.21 0.82 -0.78 -0.40 -0.73 0.00 0.00 179.01 178.12 3hye n ASP 10 N -4.09 0.51 -3.91 1.04 5.75 -1.26 -2.56 116.55 112.03 3hye n ASP 10 Ca -0.01 -1.96 -0.08 0.00 -0.01 0.00 0.00 54.79 52.73 3hye n ASP 10 Cb 0.44 -0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.29 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 0.02 -0.14 2.11 -0.12 -1.25 -4.50 117.98 114.10 3hye s PHE 11 Ca 0.20 -0.44 -0.25 0.00 -0.05 0.00 0.00 56.93 56.39 3hye s PHE 11 Cb 0.23 0.52 0.06 0.00 -0.63 0.00 0.00 43.02 43.19 3hye s PHE 11 CO -0.10 -1.15 0.61 0.00 -0.05 0.00 0.00 175.22 174.53 3hye s ALA 12 N -3.95 -1.55 0.11 1.99 0.00 -0.67 0.11 121.76 117.80 3hye s ALA 12 Ca 0.15 1.43 0.08 0.00 0.00 0.00 0.00 51.96 53.63 3hye s ALA 12 Cb -0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.54 3hye s ALA 12 CO 0.08 -0.32 -0.21 0.14 0.00 0.00 0.00 175.76 175.45 3hye s VAL 13 N -0.45 1.76 -0.20 0.00 -7.23 0.35 -0.44 120.40 114.18 3hye s VAL 13 Ca -0.06 -1.61 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 3hye s VAL 13 Cb -0.03 -1.62 0.07 0.00 0.56 0.00 0.00 36.38 35.36 3hye s VAL 13 CO 0.05 -0.09 0.07 -0.22 -0.31 0.00 0.00 175.10 174.59 3hye s LEU 14 N -2.03 0.88 0.34 1.32 0.20 -0.67 -0.94 118.68 117.78 3hye s LEU 14 Ca 0.08 -0.84 0.08 0.00 0.69 0.00 0.00 54.13 54.14 3hye s LEU 14 Cb -0.09 -0.46 -0.04 0.00 -0.43 0.00 0.00 46.19 45.17 3hye s LEU 14 CO 0.05 -0.34 0.17 0.00 -0.29 0.00 0.00 176.35 175.94 3hye s ALA 15 N 1.97 3.56 -0.27 5.97 0.00 0.29 -2.02 121.76 131.25 3hye s ALA 15 Ca 0.02 -1.78 -0.25 0.00 0.00 0.00 0.00 51.96 49.94 3hye s ALA 15 Cb -0.17 -0.83 0.13 0.00 0.00 0.00 0.00 23.12 22.26 3hye s ALA 15 CO -0.12 0.04 1.10 0.20 0.00 0.00 0.00 175.76 176.98 3hye s GLY 16 N -3.87 -0.07 0.90 0.00 0.00 -0.90 0.37 107.32 103.75 3hye s GLY 16 Ca 0.38 2.77 -0.11 0.00 0.00 0.00 0.00 44.72 47.76 3hye s GLY 16 CO 0.23 1.78 1.09 0.51 0.00 0.00 0.00 173.10 176.71 3hye s ASP 17 N 0.06 3.43 -0.10 1.64 3.84 -0.88 -1.92 116.67 122.74 3hye s ASP 17 Ca 0.04 1.60 0.15 0.00 -0.00 0.00 0.00 52.55 54.34 3hye s ASP 17 Cb -0.05 -2.26 0.53 0.00 -1.38 0.00 0.00 42.92 39.76 3hye s ASP 17 CO -0.07 -2.68 1.45 0.35 -0.00 0.00 0.00 175.17 174.22 3hye n THR 18 N -3.92 1.72 -3.14 2.11 -2.24 0.91 -4.71 114.28 105.02 3hye n THR 18 Ca 0.07 -1.35 -0.39 0.00 -2.27 0.00 0.00 64.05 60.12 3hye n THR 18 Cb 0.55 0.13 -0.05 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.89 4.39 -0.16 -0.78 3.52 -1.25 -1.59 118.95 121.20 3hye s ARG 19 Ca 0.40 0.76 0.02 0.00 -0.13 0.00 0.00 55.73 56.77 3hye s ARG 19 Cb 0.27 -3.42 0.01 0.00 -1.56 0.00 0.00 34.95 30.25 3hye s ARG 19 CO 0.17 0.16 -0.20 1.21 -0.81 0.00 0.00 175.30 175.82 3hye s ASN 20 N 0.52 3.20 0.35 -2.12 3.84 -0.64 -4.15 114.94 115.94 3hye s ASN 20 Ca 0.34 -0.60 0.05 0.00 0.21 0.00 0.00 52.86 52.85 3hye s ASN 20 Cb -0.17 -1.48 -0.07 0.00 -0.55 0.00 0.00 41.25 38.98 3hye s ASN 20 CO 0.16 0.05 0.04 0.27 -2.79 0.00 0.00 177.10 174.83 3hye s ILE 21 N 1.01 1.44 -0.25 -5.21 -5.25 -0.91 0.46 121.20 112.49 3hye s ILE 21 Ca -0.02 -2.01 -0.02 0.00 -0.99 0.00 0.00 60.65 57.61 3hye s ILE 21 Cb -0.15 -2.84 0.12 0.00 2.95 0.00 0.00 42.46 42.55 3hye s ILE 21 CO -0.06 -0.02 0.28 -0.89 -1.79 0.00 0.00 174.94 172.47 3hye s THR 22 N -3.12 -0.41 0.00 8.37 2.01 -0.53 -3.97 115.64 117.99 3hye s THR 22 Ca 0.36 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.07 3hye s THR 22 Cb 0.09 -0.85 0.00 0.00 0.01 0.00 0.00 72.50 71.75 3hye s THR 22 CO 0.16 -0.32 0.00 0.47 -0.69 0.00 0.00 174.62 174.24 3hye n ASP 23 N 5.32 0.00 -1.14 3.53 10.43 -1.26 -1.64 116.55 131.79 3hye n ASP 23 Ca -0.04 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.41 3hye n ASP 23 Cb 0.48 0.00 0.28 0.00 1.84 0.00 0.00 41.12 43.72 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 9.72 1.07 -4.43 1.24 0.53 -1.26 -4.97 117.16 119.06 3hye n TYR 24 Ca 0.00 -0.66 -0.31 0.00 -1.02 0.00 0.00 57.90 55.91 3hye n TYR 24 Cb 0.00 -0.22 -0.11 0.00 -1.03 0.00 0.00 39.34 37.98 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 -1.23 4.25 -0.20 7.72 0.01 -0.65 -5.11 113.70 118.49 3hye s SER 25 Ca 0.41 -0.34 -0.16 0.00 1.31 0.00 0.00 55.95 57.17 3hye s SER 25 Cb 0.28 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.65 3hye s SER 25 CO 0.17 0.23 0.40 -0.63 0.41 0.00 0.00 173.24 173.83 3hye s ILE 26 N -1.06 5.20 -0.01 1.44 1.01 -1.26 -1.46 121.20 125.06 3hye s ILE 26 Ca 0.18 0.72 -0.01 0.00 0.00 0.00 0.00 60.65 61.54 3hye s ILE 26 Cb -0.11 -3.73 -0.27 0.00 0.01 0.00 0.00 42.46 38.36 3hye s ILE 26 CO 0.09 0.25 0.80 0.78 0.00 0.00 0.00 174.94 176.86 3hye h ASN 27 N 7.36 0.33 -4.29 3.58 2.35 -0.32 -3.48 115.58 121.11 3hye h ASN 27 Ca -0.36 -0.50 -0.04 0.00 -0.55 0.00 0.00 56.30 54.85 3hye h ASN 27 Cb 1.16 -0.11 -0.21 0.00 0.05 0.00 0.00 38.32 39.22 3hye h ASN 27 CO 0.72 1.42 0.18 -0.55 -1.65 0.00 0.00 177.43 177.55 3hye s SER 28 N -6.87 -0.69 0.11 5.81 0.15 -1.04 -5.00 113.70 106.18 3hye s SER 28 Ca -0.10 1.13 0.24 0.00 0.70 0.00 0.00 55.95 57.93 3hye s SER 28 Cb 0.07 1.08 0.24 0.00 -1.71 0.00 0.00 66.02 65.70 3hye s SER 28 CO 0.84 -0.37 1.22 0.54 1.20 0.00 0.00 173.24 176.67 3hye n ARG 29 N 2.00 0.32 -3.46 5.44 1.74 -1.26 -1.62 116.66 119.81 3hye n ARG 29 Ca -0.15 0.07 -0.26 0.00 -0.77 0.00 0.00 57.85 56.73 3hye n ARG 29 Cb 0.56 -1.67 -0.12 0.00 -1.02 0.00 0.00 32.46 30.21 3hye n ARG 29 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 3hye s TYR 30 N -3.19 0.29 -0.33 -1.55 5.04 -1.14 -4.08 117.35 112.39 3hye s TYR 30 Ca 0.05 -1.11 -0.01 0.00 -2.44 0.00 0.00 57.07 53.56 3hye s TYR 30 Cb 0.13 -0.77 0.11 0.00 0.35 0.00 0.00 41.96 41.79 3hye s TYR 30 CO 0.75 -0.86 0.15 -2.00 -1.34 0.00 0.00 175.55 172.25 3hye s GLU 31 N 1.57 0.61 0.14 4.97 2.56 -0.62 -5.05 118.70 122.88 3hye s GLU 31 Ca 0.14 -1.12 -0.33 0.00 0.00 0.00 0.00 54.97 53.66 3hye s GLU 31 Cb -0.19 -1.65 -0.17 0.00 2.00 0.00 0.00 34.13 34.13 3hye s GLU 31 CO -0.14 -1.07 0.96 -2.30 -0.56 0.00 0.00 175.26 172.14 3hye n PRO 32 N 4.58 0.54 0.00 4.30 -0.02 -1.26 -4.75 135.00 138.40 3hye n PRO 32 Ca 0.02 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3hye n PRO 32 Cb 0.40 -1.55 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 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 1.45 4.91 -4.76 -0.52 4.81 -1.26 -4.99 118.16 117.80 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 0.20 -0.50 -0.15 0.00 0.02 0.00 0.00 35.03 34.61 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 -0.96 2.87 0.11 3.15 1.01 -1.26 -4.30 120.40 121.02 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 -2.20 -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 0.47 1.82 -0.33 5.22 0.08 0.03 -4.95 117.98 120.33 3hye s PHE 35 Ca -0.10 -0.42 -0.21 0.00 0.12 0.00 0.00 56.93 56.32 3hye s PHE 35 Cb -0.16 -0.99 -0.00 0.00 -0.57 0.00 0.00 43.02 41.29 3hye s PHE 35 CO 0.05 0.22 0.68 0.34 -0.10 0.00 0.00 175.22 176.41 3hye s ASP 36 N -1.95 6.51 -0.07 1.36 3.68 -1.26 -0.72 116.67 124.21 3hye s ASP 36 Ca 0.07 0.37 0.19 0.00 2.13 0.00 0.00 52.55 55.31 3hye s ASP 36 Cb -0.10 -2.35 0.65 0.00 -1.45 0.00 0.00 42.92 39.67 3hye s ASP 36 CO 0.04 -0.57 1.56 0.00 0.13 0.00 0.00 175.17 176.33 3hye n GLY 38 N 1.14 -0.55 2.49 0.00 0.00 -1.25 -4.86 105.19 102.15 3hye n GLY 38 Ca 0.24 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.41 -3.10 -3.34 1.61 9.92 -1.26 -1.40 116.55 117.57 3hye n ASP 39 Ca 0.00 0.26 -0.22 0.00 -0.53 0.00 0.00 54.79 54.30 3hye n ASP 39 Cb 0.00 -2.68 0.07 0.00 -0.64 0.00 0.00 41.12 37.88 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 -1.74 -6.05 -4.12 -2.24 4.05 -1.26 -4.85 115.26 99.06 3hye n ASN 40 Ca -0.10 -0.49 -0.29 0.00 0.45 0.00 0.00 54.58 54.14 3hye n ASN 40 Cb 0.58 -4.68 -0.17 0.00 1.23 0.00 0.00 39.78 36.75 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 -3.29 1.68 -0.02 -1.44 1.01 -0.49 -4.44 121.20 114.21 3hye s ILE 41 Ca 0.54 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.44 3hye s ILE 41 Cb -0.24 -1.50 -0.03 0.00 0.01 0.00 0.00 42.46 40.71 3hye s ILE 41 CO 0.66 0.48 -0.10 0.68 0.00 0.00 0.00 174.94 176.67 3hye s VAL 42 N 0.70 3.45 0.01 2.92 -7.23 -0.57 -0.28 120.40 119.40 3hye s VAL 42 Ca -0.12 -0.74 -0.02 0.00 -1.81 0.00 0.00 61.98 59.28 3hye s VAL 42 Cb -0.16 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.32 3hye s VAL 42 CO 0.03 0.47 0.03 -0.32 -0.31 0.00 0.00 175.10 175.00 3hye s MET 43 N -1.14 0.33 -0.09 4.82 0.00 0.10 -0.46 119.30 122.85 3hye s MET 43 Ca 0.15 -0.45 -0.05 0.00 0.00 0.00 0.00 55.69 55.34 3hye s MET 43 Cb -0.11 0.13 0.04 0.00 0.00 0.00 0.00 34.83 34.89 3hye s MET 43 CO 0.04 -0.06 0.21 0.45 0.00 0.00 0.00 175.02 175.66 3hye s SER 44 N -1.23 -0.21 -0.41 1.11 0.15 -0.29 -0.78 113.70 112.04 3hye s SER 44 Ca -0.13 0.45 0.04 0.00 0.70 0.00 0.00 55.95 57.00 3hye s SER 44 Cb -0.08 0.34 0.11 0.00 -1.71 0.00 0.00 66.02 64.68 3hye s SER 44 CO -0.00 -0.15 0.13 0.00 1.20 0.00 0.00 173.24 174.41 3hye s ALA 45 N 1.16 3.05 0.11 5.45 0.00 -1.26 -0.86 121.76 129.41 3hye s ALA 45 Ca -0.09 -2.81 -0.10 0.00 0.00 0.00 0.00 51.96 48.97 3hye s ALA 45 Cb -0.10 -2.05 -0.06 0.00 0.00 0.00 0.00 23.12 20.91 3hye s ALA 45 CO -0.07 -1.81 0.43 1.21 0.00 0.00 0.00 175.76 175.51 3hye s ASN 46 N 0.48 6.64 0.00 0.00 3.84 -0.44 -4.38 114.94 121.08 3hye s ASN 46 Ca 0.13 0.80 0.00 0.00 0.21 0.00 0.00 52.86 54.01 3hye s ASN 46 Cb -0.22 -2.18 0.00 0.00 -0.55 0.00 0.00 41.25 38.30 3hye s ASN 46 CO -0.05 0.13 0.00 0.61 -2.79 0.00 0.00 177.10 175.00 3hye n GLY 47 N 0.69 0.93 3.44 1.21 0.00 -1.26 0.35 105.19 110.54 3hye n GLY 47 Ca -0.06 -0.43 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 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 2.99 0.30 1.61 5.36 -0.38 -1.89 117.98 125.96 3hye s PHE 48 Ca 0.00 -0.59 0.06 0.00 -0.96 0.00 0.00 56.93 55.44 3hye s PHE 48 Cb 0.00 -3.75 0.79 0.00 -0.34 0.00 0.00 43.02 39.72 3hye s PHE 48 CO 0.00 -1.17 1.70 0.00 -1.46 0.00 0.00 175.22 174.30 3hye h ALA 49 N 9.11 1.56 -0.79 11.12 0.00 -1.89 0.82 119.26 139.19 3hye h ALA 49 Ca -0.28 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hye h ALA 49 Cb 1.09 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 3hye h ALA 49 CO 1.02 -0.33 0.51 0.00 0.00 0.00 0.00 179.25 180.46 3hye h ALA 50 N 1.72 1.41 -0.14 0.00 0.00 -1.95 0.90 119.26 121.20 3hye h ALA 50 Ca 0.59 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 55.22 3hye h ALA 50 Cb 1.13 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.61 3hye h ALA 50 CO -0.52 0.54 -0.76 -0.44 0.00 0.00 0.00 179.25 178.07 3hye h ASP 51 N 1.08 0.84 -0.69 0.00 3.45 -1.28 -2.37 116.42 117.45 3hye h ASP 51 Ca 0.29 -0.55 -0.03 0.00 0.43 0.00 0.00 57.03 57.17 3hye h ASP 51 Cb -0.10 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.39 3hye h ASP 51 CO -0.06 1.34 0.31 1.23 -1.57 0.00 0.00 179.24 180.48 3hye h GLY 52 N 0.73 1.08 0.88 2.75 0.00 -0.42 -1.44 103.07 106.66 3hye h GLY 52 Ca -0.05 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.68 3hye h GLY 52 CO 0.15 0.53 0.03 -0.55 0.00 0.00 0.00 176.54 176.70 3hye h ASP 53 N 0.97 0.48 -0.50 0.19 3.45 -0.83 -1.68 116.42 118.50 3hye h ASP 53 Ca 0.23 -0.28 0.04 0.00 0.43 0.00 0.00 57.03 57.45 3hye h ASP 53 Cb 0.16 -0.13 -0.04 0.00 -0.56 0.00 0.00 39.33 38.76 3hye h ASP 53 CO -0.02 0.64 0.26 0.00 -1.57 0.00 0.00 179.24 178.55 3hye h ALA 54 N 0.86 0.63 0.44 3.45 0.00 -1.22 -0.35 119.26 123.07 3hye h ALA 54 Ca 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3hye h ALA 54 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hye h ALA 54 CO 0.01 -0.08 -0.21 1.25 0.00 0.00 0.00 179.25 180.22 3hye h LEU 55 N 0.51 -0.50 -0.91 0.00 5.85 -1.14 0.16 115.31 119.28 3hye h LEU 55 Ca 0.21 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.98 3hye h LEU 55 Cb 0.11 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 3hye h LEU 55 CO -0.14 -0.22 0.54 0.58 -0.34 0.00 0.00 178.44 178.86 3hye h VAL 56 N -0.78 0.88 -0.65 1.05 2.07 -1.20 0.25 116.25 117.86 3hye h VAL 56 Ca -0.06 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 3hye h VAL 56 Cb 0.54 -0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3hye h VAL 56 CO 0.10 0.16 0.11 0.50 0.02 0.00 0.00 177.57 178.46 3hye h LYS 57 N 0.85 1.07 -0.30 1.57 3.64 -0.94 -1.10 116.57 121.37 3hye h LYS 57 Ca 0.46 -0.28 -0.13 0.00 -1.27 0.00 0.00 60.65 59.42 3hye h LYS 57 Cb 0.48 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3hye h LYS 57 CO -0.28 0.98 -0.36 -0.09 -2.27 0.00 0.00 179.45 177.44 3hye h ARG 58 N 0.99 0.67 -0.24 1.90 2.43 0.72 -2.41 114.38 118.45 3hye h ARG 58 Ca 0.20 -0.33 -0.07 0.00 -0.81 0.00 0.00 59.98 58.98 3hye h ARG 58 Cb 0.43 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3hye h ARG 58 CO 0.01 0.93 -0.11 0.35 -1.51 0.00 0.00 179.97 179.64 3hye h PHE 59 N 0.56 0.57 -0.93 2.20 3.57 -0.30 -1.38 116.94 121.22 3hye h PHE 59 Ca 0.06 -0.14 0.06 0.00 3.53 0.00 0.00 57.97 61.48 3hye h PHE 59 Cb 0.87 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.42 3hye h PHE 59 CO 0.04 0.76 0.61 0.87 -2.23 0.00 0.00 178.31 178.36 3hye h LYS 60 N 0.21 1.05 0.00 1.11 1.57 -1.18 0.25 116.57 119.58 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 0.61 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3hye h LYS 60 CO 0.03 0.70 -0.31 -0.97 -0.57 0.00 0.00 179.45 178.33 3hye h ASN 61 N 1.09 0.00 -0.36 0.86 -0.73 -1.23 -2.10 115.58 113.11 3hye h ASN 61 Ca 0.40 0.00 -0.14 0.00 1.87 0.00 0.00 56.30 58.43 3hye h ASN 61 Cb 0.17 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 3hye h ASN 61 CO -0.15 0.31 -0.31 -1.28 -0.37 0.00 0.00 177.43 175.63 3hye h SER 62 N 0.00 0.89 -0.72 1.15 0.87 0.57 -2.14 113.55 114.18 3hye h SER 62 Ca -0.00 -0.45 -0.02 0.00 -1.23 0.00 0.00 61.79 60.09 3hye h SER 62 Cb 0.69 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 3hye h SER 62 CO 0.04 1.16 0.38 0.58 -0.53 0.00 0.00 176.83 178.46 3hye h VAL 63 N 0.64 1.23 -0.20 2.23 2.07 -0.73 0.56 116.25 122.05 3hye h VAL 63 Ca 0.06 -0.59 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3hye h VAL 63 Cb 0.89 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3hye h VAL 63 CO 0.08 0.26 0.08 0.50 0.02 0.00 0.00 177.57 178.51 3hye h LYS 64 N 1.00 0.18 0.00 1.57 3.64 -1.24 -2.04 116.57 119.68 3hye h LYS 64 Ca 0.25 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3hye h LYS 64 Cb 0.07 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3hye h LYS 64 CO -0.04 0.12 -0.32 -1.49 -2.27 0.00 0.00 179.45 175.45 3hye h TRP 65 N 0.19 0.00 -0.55 1.91 4.06 -1.11 -2.16 115.95 118.29 3hye h TRP 65 Ca 0.08 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.02 3hye h TRP 65 Cb 0.04 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.17 3hye h TRP 65 CO -0.11 0.32 0.28 -0.92 -3.56 0.00 0.00 178.44 174.45 3hye h TYR 66 N 0.00 0.78 -0.04 0.49 3.20 -0.31 0.15 116.97 121.24 3hye h TYR 66 Ca -0.00 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.83 3hye h TYR 66 Cb 0.92 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 3hye h TYR 66 CO 0.00 0.59 0.02 0.45 -1.64 0.00 0.00 178.16 177.58 3hye h HIS 67 N 0.74 0.06 -0.92 -3.82 3.86 -1.11 0.54 115.15 114.50 3hye h HIS 67 Ca 0.19 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.49 3hye h HIS 67 Cb 0.09 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.47 3hye h HIS 67 CO -0.01 0.19 0.56 0.74 0.86 0.00 0.00 177.93 180.28 3hye h PHE 68 N -0.09 1.03 0.00 2.45 0.04 -1.04 0.26 116.94 119.59 3hye h PHE 68 Ca 0.01 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3hye h PHE 68 Cb 0.16 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 37.98 3hye h PHE 68 CO -0.02 0.46 -0.64 -0.25 -0.60 0.00 0.00 178.31 177.25 3hye n ASP 69 N -4.64 0.60 -2.58 2.17 8.00 0.50 -4.42 116.55 116.18 3hye n ASP 69 Ca 0.15 -0.30 -0.14 0.00 0.71 0.00 0.00 54.79 55.21 3hye n ASP 69 Cb 0.26 0.41 0.02 0.00 -0.02 0.00 0.00 41.12 41.79 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 -1.62 1.97 -3.79 1.24 8.25 0.16 -4.99 115.22 116.45 3hye n HIS 70 Ca 0.05 -2.73 -0.34 0.00 -0.26 0.00 0.00 57.72 54.43 3hye n HIS 70 Cb 0.36 -0.27 0.03 0.00 1.12 0.00 0.00 29.99 31.23 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 -0.32 -5.05 -1.70 0.41 4.05 -1.17 -1.29 115.26 110.18 3hye n ASN 70 Ca 0.21 -1.05 -0.05 0.00 0.45 0.00 0.00 54.58 54.14 3hye n ASN 70 Cb 0.78 -2.71 -0.01 0.00 1.23 0.00 0.00 39.78 39.07 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 -2.45 -1.75 -4.75 1.20 8.00 0.07 -4.89 116.55 111.98 3hye n ASP 71 Ca -0.12 0.23 -0.38 0.00 0.71 0.00 0.00 54.79 55.22 3hye n ASP 71 Cb 0.59 -1.76 0.03 0.00 -0.02 0.00 0.00 41.12 39.96 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 -3.51 3.24 0.20 -1.24 2.20 -0.41 -4.95 119.74 115.27 3hye s LYS 72 Ca 0.00 2.20 -0.30 0.00 -0.36 0.00 0.00 55.97 57.51 3hye s LYS 72 Cb 0.00 -2.30 -0.08 0.00 -1.51 0.00 0.00 37.83 33.94 3hye s LYS 72 CO 0.00 -1.10 1.04 0.21 -0.36 0.00 0.00 175.35 175.14 3hye s LYS 73 N -2.86 4.68 -0.52 4.03 2.20 -1.26 -4.58 119.74 121.43 3hye s LYS 73 Ca 0.70 1.64 -0.25 0.00 -0.36 0.00 0.00 55.97 57.70 3hye s LYS 73 Cb -0.39 -3.28 0.03 0.00 -1.51 0.00 0.00 37.83 32.68 3hye s LYS 73 CO 0.47 0.22 0.98 -1.17 -0.36 0.00 0.00 175.35 175.49 3hye s LEU 74 N -0.68 3.95 0.56 5.43 2.96 -1.26 -5.02 118.68 124.62 3hye s LEU 74 Ca 0.46 -0.06 -0.20 0.00 -0.22 0.00 0.00 54.13 54.12 3hye s LEU 74 Cb -0.28 -3.06 -0.05 0.00 0.50 0.00 0.00 46.19 43.30 3hye s LEU 74 CO 0.35 -1.19 1.19 -0.94 -1.32 0.00 0.00 176.35 174.44 3hye s SER 75 N 2.61 5.42 0.41 3.68 1.04 -1.26 -4.78 113.70 120.81 3hye s SER 75 Ca 0.36 2.36 0.15 0.00 0.48 0.00 0.00 55.95 59.29 3hye s SER 75 Cb -0.11 -2.60 1.01 0.00 0.10 0.00 0.00 66.02 64.43 3hye s SER 75 CO 0.24 -1.43 1.88 -0.29 0.98 0.00 0.00 173.24 174.61 3hye h ILE 76 N 1.10 0.75 -0.14 -1.02 6.09 -1.92 0.78 117.51 123.15 3hye h ILE 76 Ca -0.50 -0.16 -0.16 0.00 -1.37 0.00 0.00 64.86 62.67 3hye h ILE 76 Cb 1.28 0.24 -0.01 0.00 0.47 0.00 0.00 36.82 38.81 3hye h ILE 76 CO 0.56 0.09 -0.58 -0.55 -3.07 0.00 0.00 178.15 174.60 3hye h ASN 77 N 0.47 0.51 0.15 2.19 -1.07 -1.91 -1.99 115.58 113.94 3hye h ASN 77 Ca 0.43 -0.28 -0.17 0.00 0.07 0.00 0.00 56.30 56.35 3hye h ASN 77 Cb 0.95 -0.15 -0.01 0.00 -2.07 0.00 0.00 38.32 37.05 3hye h ASN 77 CO -0.16 0.98 -0.61 0.28 0.07 0.00 0.00 177.43 177.98 3hye h SER 78 N 0.35 0.52 -0.33 6.14 0.02 -1.28 -2.38 113.55 116.58 3hye h SER 78 Ca 0.00 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 3hye h SER 78 Cb 1.11 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 3hye h SER 78 CO 0.10 1.01 0.07 0.00 -1.14 0.00 0.00 176.83 176.86 3hye h ALA 79 N 1.00 0.44 -0.47 3.77 0.00 -1.00 -1.72 119.26 121.27 3hye h ALA 79 Ca -0.01 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.78 3hye h ALA 79 Cb 1.16 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 3hye h ALA 79 CO 0.11 0.12 0.16 0.00 0.00 0.00 0.00 179.25 179.64 3hye h ALA 80 N 0.90 0.56 -0.64 0.00 0.00 -1.22 0.26 119.26 119.13 3hye h ALA 80 Ca 0.10 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3hye h ALA 80 Cb 0.33 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3hye h ALA 80 CO 0.00 -0.24 0.11 -0.09 0.00 0.00 0.00 179.25 179.04 3hye h ARG 81 N 0.33 1.05 -0.66 0.00 9.65 -1.33 -1.85 114.38 121.55 3hye h ARG 81 Ca 0.22 -0.28 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3hye h ARG 81 Cb 0.24 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.66 3hye h ARG 81 CO -0.24 0.97 0.40 -0.97 2.80 0.00 0.00 179.97 182.93 3hye h ASN 82 N 0.96 0.80 -0.17 -3.80 -0.00 -0.41 -1.86 115.58 111.10 3hye h ASN 82 Ca 0.19 -0.06 -0.05 0.00 -0.00 0.00 0.00 56.30 56.38 3hye h ASN 82 Cb 0.42 -0.20 -0.02 0.00 -0.00 0.00 0.00 38.32 38.52 3hye h ASN 82 CO 0.01 0.63 -0.04 0.40 -0.00 0.00 0.00 177.43 178.43 3hye h ILE 83 N 0.90 1.19 -0.61 2.57 2.04 -0.20 -2.05 117.51 121.36 3hye h ILE 83 Ca 0.24 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.33 3hye h ILE 83 Cb -0.02 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 3hye h ILE 83 CO -0.04 0.27 0.38 -0.61 0.00 0.00 0.00 178.15 178.14 3hye h GLN 84 N 0.44 0.73 -0.09 2.37 4.15 -0.51 -0.81 115.11 121.40 3hye h GLN 84 Ca 0.09 -0.04 -0.10 0.00 0.77 0.00 0.00 58.65 59.36 3hye h GLN 84 Cb 0.35 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3hye h GLN 84 CO 0.01 0.48 -0.42 0.45 -1.93 0.00 0.00 178.83 177.43 3hye h HIS 85 N 0.75 0.23 -0.27 3.99 3.86 -1.11 0.11 115.15 122.71 3hye h HIS 85 Ca 0.24 -0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.36 3hye h HIS 85 Cb 0.00 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 3hye h HIS 85 CO -0.05 0.59 0.05 -0.07 0.86 0.00 0.00 177.93 179.30 3hye h LEU 86 N 0.16 0.42 -0.14 2.43 3.38 -0.72 -1.19 115.31 119.65 3hye h LEU 86 Ca 0.01 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 3hye h LEU 86 Cb 0.81 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3hye h LEU 86 CO 0.06 0.56 -0.10 -0.07 0.09 0.00 0.00 178.44 178.99 3hye h LEU 87 N 0.25 0.32 -1.97 1.67 3.38 -0.98 -3.06 115.31 114.92 3hye h LEU 87 Ca 0.08 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3hye h LEU 87 Cb 0.32 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3hye h LEU 87 CO 0.00 0.70 0.00 0.22 0.09 0.00 0.00 178.44 179.46 3hye h TYR 88 N -0.05 0.00 0.00 1.13 5.03 -0.75 -0.89 116.97 121.43 3hye h TYR 88 Ca 0.03 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.32 3hye h TYR 88 Cb 0.59 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.87 3hye h TYR 88 CO 0.08 0.00 -0.08 0.78 -1.32 0.00 0.00 178.16 177.61 3hye h GLY 89 N 1.22 0.00 -3.03 1.82 0.00 -1.10 -1.88 103.07 100.10 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 0.00 176.54 176.75 3hye n LYS 90 N -3.84 2.54 0.01 4.80 5.02 -0.34 -4.77 118.16 121.57 3hye n LYS 90 Ca -0.02 -3.49 0.22 0.00 -2.02 0.00 0.00 58.31 52.99 3hye n LYS 90 Cb 0.18 -2.06 0.73 0.00 -0.02 0.00 0.00 35.03 33.85 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 1.54 0.00 -0.35 1.97 9.65 -1.37 0.33 114.38 126.15 3hye h ARG 91 Ca 0.37 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.25 3hye h ARG 91 Cb 1.51 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.09 3hye h ARG 91 CO 0.78 0.00 0.00 1.19 2.80 0.00 0.00 179.97 184.74 3hye n PHE 92 N -4.07 0.90 -2.68 2.20 3.72 -1.26 -4.49 117.46 111.77 3hye n PHE 92 Ca 0.10 -0.71 -0.05 0.00 -0.05 0.00 0.00 57.45 56.74 3hye n PHE 92 Cb 0.66 -0.22 0.09 0.00 -0.94 0.00 0.00 39.48 39.08 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 0.10 -1.19 -1.26 1.38 7.35 -0.49 -5.17 117.46 118.18 3hye n PHE 93 Ca 0.19 -1.07 -0.36 0.00 -0.76 0.00 0.00 57.45 55.45 3hye n PHE 93 Cb 0.75 1.27 0.08 0.00 0.35 0.00 0.00 39.48 41.93 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 0.89 0.33 -2.81 -7.13 -0.02 0.10 -4.77 135.00 121.59 3hye n PRO 94 Ca -0.00 0.16 -0.43 0.00 -2.02 0.00 0.00 63.50 61.21 3hye n PRO 94 Cb 0.72 -2.01 -0.04 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.92 3.08 -1.25 6.00 1.51 -1.26 -4.92 117.35 118.59 3hye s TYR 95 Ca 0.68 0.75 -0.15 0.00 -1.01 0.00 0.00 57.07 57.34 3hye s TYR 95 Cb -0.34 -3.64 -0.04 0.00 -0.11 0.00 0.00 41.96 37.83 3hye s TYR 95 CO 0.55 -0.83 2.24 0.98 -1.11 0.00 0.00 175.55 177.39 3hye n TYR 96 N 6.77 2.73 -4.03 2.71 9.36 -1.26 -4.72 117.16 128.72 3hye n TYR 96 Ca 0.07 -2.59 -0.08 0.00 3.32 0.00 0.00 57.90 58.63 3hye n TYR 96 Cb 0.48 -2.24 -0.09 0.00 -0.63 0.00 0.00 39.34 36.86 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 3.56 0.20 -0.29 2.97 -7.23 -1.26 -1.25 120.40 117.09 3hye s VAL 97 Ca 0.52 -1.63 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 3hye s VAL 97 Cb 0.14 -1.45 0.04 0.00 0.56 0.00 0.00 36.38 35.67 3hye s VAL 97 CO -0.02 -0.90 0.01 -2.28 -0.31 0.00 0.00 175.10 171.60 3hye s HIS 98 N -3.86 3.20 -0.00 2.82 2.46 0.16 -3.62 115.29 116.45 3hye s HIS 98 Ca 0.06 -1.61 0.01 0.00 0.47 0.00 0.00 55.06 53.99 3hye s HIS 98 Cb 0.07 -2.14 -0.04 0.00 -0.13 0.00 0.00 32.58 30.34 3hye s HIS 98 CO -0.10 -0.75 0.01 -0.08 -2.47 0.00 0.00 174.74 171.35 3hye s THR 99 N 1.33 4.21 -0.02 0.89 -1.32 -1.21 -1.33 115.64 118.19 3hye s THR 99 Ca -0.02 -0.58 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 3hye s THR 99 Cb -0.19 -2.88 0.01 0.00 -1.51 0.00 0.00 72.50 67.94 3hye s THR 99 CO -0.01 0.38 -0.01 -0.63 -2.21 0.00 0.00 174.62 172.14 3hye s ILE 100 N -1.09 0.14 0.15 5.08 1.01 -0.04 0.95 121.20 127.39 3hye s ILE 100 Ca 0.20 0.02 0.09 0.00 0.00 0.00 0.00 60.65 60.97 3hye s ILE 100 Cb -0.12 -0.19 -0.04 0.00 0.01 0.00 0.00 42.46 42.12 3hye s ILE 100 CO 0.10 0.09 -0.22 0.27 0.00 0.00 0.00 174.94 175.19 3hye s ILE 101 N 0.55 1.98 0.04 2.92 -4.36 -0.46 -1.14 121.20 120.73 3hye s ILE 101 Ca -0.05 -1.80 0.01 0.00 -0.26 0.00 0.00 60.65 58.55 3hye s ILE 101 Cb -0.08 -1.84 -0.03 0.00 1.25 0.00 0.00 42.46 41.76 3hye s ILE 101 CO -0.01 -0.12 -0.06 0.00 0.24 0.00 0.00 174.94 174.98 3hye s ALA 102 N -1.52 0.52 0.00 2.27 0.00 0.39 -1.70 121.76 121.73 3hye s ALA 102 Ca 0.14 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.27 3hye s ALA 102 Cb -0.08 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3hye s ALA 102 CO 0.06 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.14 3hye n GLY 103 N 1.22 -0.81 3.13 0.00 0.00 -0.17 -1.51 105.19 107.05 3hye n GLY 103 Ca -0.21 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 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 2.03 0.00 0.99 1.43 -1.26 -0.52 118.68 121.35 3hye s LEU 104 Ca 0.00 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 52.78 3hye s LEU 104 Cb 0.00 -0.79 0.05 0.00 0.03 0.00 0.00 46.19 45.49 3hye s LEU 104 CO 0.00 0.18 0.27 -0.90 0.23 0.00 0.00 176.35 176.13 3hye n ASP 105 N 2.68 -0.35 0.00 2.29 5.68 0.06 -4.39 116.55 122.52 3hye n ASP 105 Ca -0.14 -0.96 0.09 0.00 -0.50 0.00 0.00 54.79 53.28 3hye n ASP 105 Cb 0.55 -0.21 0.53 0.00 -1.14 0.00 0.00 41.12 40.84 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 -1.78 0.44 -0.18 0.11 1.02 -1.26 -2.07 120.64 116.92 3hye n GLU 106 Ca 0.03 0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.30 3hye n GLU 106 Cb 0.12 -1.50 0.17 0.00 -0.02 0.00 0.00 31.44 30.22 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 -1.14 3.01 0.00 1.62 10.43 -1.26 -4.95 116.55 124.27 3hye n ASP 10 Ca 0.12 -1.91 0.00 0.00 2.57 0.00 0.00 54.79 55.57 3hye n ASP 10 Cb 0.11 -0.24 0.00 0.00 1.84 0.00 0.00 41.12 42.83 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 0.87 0.79 3.84 0.44 0.00 -0.88 -5.04 105.19 105.21 3hye n GLY 10 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.06 3.97 0.30 1.61 -0.14 -1.26 -4.48 119.74 119.68 3hye s LYS 107 Ca 0.00 0.90 -0.29 0.00 -1.36 0.00 0.00 55.97 55.22 3hye s LYS 107 Cb 0.00 -2.19 -0.10 0.00 -1.68 0.00 0.00 37.83 33.86 3hye s LYS 107 CO 0.00 -0.18 1.31 0.20 -0.76 0.00 0.00 175.35 175.92 3hye s GLY 108 N -2.90 2.86 -0.01 -3.33 0.00 -1.03 -0.76 107.32 102.15 3hye s GLY 108 Ca 0.58 1.23 -0.00 0.00 0.00 0.00 0.00 44.72 46.53 3hye s GLY 108 CO 0.28 1.95 0.02 0.00 0.00 0.00 0.00 173.10 175.34 3hye s ALA 109 N -0.86 0.02 -0.02 3.20 0.00 0.32 -4.70 121.76 119.71 3hye s ALA 109 Ca 0.51 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.64 3hye s ALA 109 Cb -0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 3hye s ALA 109 CO 0.49 -0.05 -0.11 0.08 0.00 0.00 0.00 175.76 176.18 3hye s VAL 110 N 0.44 0.89 -0.05 0.00 1.01 -1.24 -1.00 120.40 120.44 3hye s VAL 110 Ca -0.04 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3hye s VAL 110 Cb -0.05 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.58 3hye s VAL 110 CO -0.01 0.26 -0.10 -0.31 0.00 0.00 0.00 175.10 174.94 3hye s TYR 111 N -0.07 1.21 -0.04 5.22 2.02 -0.69 -0.17 117.35 124.84 3hye s TYR 111 Ca 0.01 -0.41 0.06 0.00 -0.37 0.00 0.00 57.07 56.36 3hye s TYR 111 Cb -0.06 -0.91 -0.02 0.00 -0.40 0.00 0.00 41.96 40.56 3hye s TYR 111 CO 0.00 -0.23 -0.20 -1.54 -1.57 0.00 0.00 175.55 172.01 3hye s SER 112 N 0.67 3.58 0.25 2.29 1.04 -0.97 -1.36 113.70 119.20 3hye s SER 112 Ca -0.12 -0.32 0.11 0.00 0.48 0.00 0.00 55.95 56.09 3hye s SER 112 Cb -0.15 -0.63 -0.05 0.00 0.10 0.00 0.00 66.02 65.29 3hye s SER 112 CO 0.02 0.33 -0.12 -0.36 0.98 0.00 0.00 173.24 174.09 3hye s PHE 113 N -0.65 2.48 0.55 5.02 0.40 0.27 -2.71 117.98 123.34 3hye s PHE 113 Ca 0.10 -0.28 -0.08 0.00 -0.60 0.00 0.00 56.93 56.07 3hye s PHE 113 Cb -0.10 -1.12 -0.03 0.00 0.51 0.00 0.00 43.02 42.27 3hye s PHE 113 CO -0.00 0.63 0.90 0.34 0.70 0.00 0.00 175.22 177.79 3hye s ASP 114 N -3.34 6.18 0.55 1.36 3.68 0.91 -3.34 116.67 122.67 3hye s ASP 114 Ca 0.28 1.12 0.30 0.00 2.13 0.00 0.00 52.55 56.39 3hye s ASP 114 Cb -0.06 -2.29 1.60 0.00 -1.45 0.00 0.00 42.92 40.71 3hye s ASP 114 CO 0.16 -0.75 2.12 -0.65 0.13 0.00 0.00 175.17 176.17 3hye h PRO 115 N -0.05 0.00 -0.37 4.34 0.11 -1.84 -2.76 132.00 131.43 3hye h PRO 115 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 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 0.08 0.00 1.33 -0.21 0.00 0.00 178.00 179.82 3hye n VAL 116 N -3.55 2.38 0.00 3.15 0.24 -1.26 -4.17 118.33 115.12 3hye n VAL 116 Ca -0.02 -1.69 0.00 0.00 -2.04 0.00 0.00 64.34 60.59 3hye n VAL 116 Cb 0.21 -0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 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 -0.09 0.45 3.73 7.63 0.00 -1.04 -3.78 105.19 112.09 3hye n GLY 117 Ca 0.23 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 -2.19 7.13 0.09 1.61 0.15 -1.26 -4.67 113.70 114.56 3hye s SER 118 Ca 0.00 2.15 -0.05 0.00 0.70 0.00 0.00 55.95 58.75 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 -0.36 0.10 -0.72 1.20 0.00 0.00 173.24 173.46 3hye s TYR 119 N 0.17 0.40 -0.04 3.44 -0.85 -1.26 -0.06 117.35 119.14 3hye s TYR 119 Ca 0.53 -0.86 -0.17 0.00 -0.52 0.00 0.00 57.07 56.05 3hye s TYR 119 Cb -0.31 -0.23 0.03 0.00 0.38 0.00 0.00 41.96 41.83 3hye s TYR 119 CO 0.34 -0.50 0.39 -2.00 -1.52 0.00 0.00 175.55 172.26 3hye s GLU 120 N -3.92 0.70 0.04 -3.49 2.56 -1.10 -5.01 118.70 108.49 3hye s GLU 120 Ca 0.09 -0.00 -0.22 0.00 0.00 0.00 0.00 54.97 54.84 3hye s GLU 120 Cb 0.06 0.32 -0.06 0.00 2.00 0.00 0.00 34.13 36.45 3hye s GLU 120 CO -0.08 -0.19 0.64 0.50 -0.56 0.00 0.00 175.26 175.58 3hye s ARG 121 N -1.07 4.35 0.16 4.30 3.52 -1.26 -2.29 118.95 126.66 3hye s ARG 121 Ca -0.11 0.84 -0.00 0.00 -0.13 0.00 0.00 55.73 56.33 3hye s ARG 121 Cb -0.04 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.99 3hye s ARG 121 CO 0.05 0.43 0.05 -1.21 -0.81 0.00 0.00 175.30 173.81 3hye s GLU 122 N -0.45 1.04 -0.09 5.12 2.02 0.76 -4.98 118.70 122.12 3hye s GLU 122 Ca 0.33 -1.51 -0.28 0.00 0.02 0.00 0.00 54.97 53.53 3hye s GLU 122 Cb -0.19 0.07 -0.24 0.00 0.10 0.00 0.00 34.13 33.87 3hye s GLU 122 CO 0.20 -0.24 0.98 0.37 0.02 0.00 0.00 175.26 176.59 3hye h GLN 123 N 2.76 0.01 -2.50 1.61 5.75 -1.93 -3.28 115.11 117.52 3hye h GLN 123 Ca -0.36 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.04 3hye h GLN 123 Cb 1.21 0.00 -0.21 0.00 1.07 0.00 0.00 27.48 29.56 3hye h GLN 123 CO 0.60 0.79 -0.06 0.00 -2.65 0.00 0.00 178.83 177.51 3hye s ARG 125 N -0.79 0.36 0.00 0.00 6.06 -0.16 -5.00 118.95 119.43 3hye s ARG 125 Ca -0.09 0.83 -0.07 0.00 -2.50 0.00 0.00 55.73 53.91 3hye s ARG 125 Cb -0.03 0.05 -0.05 0.00 0.06 0.00 0.00 34.95 34.98 3hye s ARG 125 CO 0.05 -0.18 0.27 0.00 -2.50 0.00 0.00 175.30 172.94 3hye s ALA 126 N 1.71 3.83 0.04 6.12 0.00 -1.26 -1.25 121.76 130.96 3hye s ALA 126 Ca -0.07 -0.55 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 20.91 3hye s ALA 126 CO -0.12 0.63 -0.10 0.20 0.00 0.00 0.00 175.76 176.36 3hye s GLY 127 N -1.61 0.61 0.00 0.00 0.00 0.17 -4.83 107.32 101.66 3hye s GLY 127 Ca 0.27 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.24 3hye s GLY 127 CO 0.15 -0.77 0.00 0.61 0.00 0.00 0.00 173.10 173.09 3hye n GLY 128 N 1.74 -1.61 0.44 0.20 0.00 -1.26 -0.01 105.19 104.69 3hye n GLY 128 Ca -0.20 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.24 4.61 0.00 -1.64 -2.31 119.26 118.94 3hye h ALA 129 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hye h ALA 129 Cb 0.00 1.16 0.00 0.00 0.00 0.00 0.00 17.79 18.95 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 -3.10 2.47 -0.33 0.00 0.00 -1.26 -4.38 120.51 113.91 3hye n ALA 130 Ca -0.03 -0.43 0.16 0.00 0.00 0.00 0.00 53.44 53.14 3hye n ALA 130 Cb 0.33 -0.98 0.35 0.00 0.00 0.00 0.00 19.45 19.15 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 3.43 1.63 0.00 0.00 0.00 -1.66 0.28 119.26 122.94 3hye h ALA 131 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hye h ALA 131 Cb 0.34 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3hye h ALA 131 CO 0.00 -0.32 -0.07 0.66 0.00 0.00 0.00 179.25 179.52 3hye h SER 132 N 0.48 0.00 0.64 0.00 4.64 -1.82 -1.89 113.55 115.60 3hye h SER 132 Ca 0.61 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.66 3hye h SER 132 Cb 1.18 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 3hye h SER 132 CO -0.51 0.07 -1.43 -0.07 -0.87 0.00 0.00 176.83 174.03 3hye h LEU 133 N 0.00 0.13 0.14 5.97 4.07 -0.80 -3.41 115.31 121.41 3hye h LEU 133 Ca -0.00 -0.19 -0.30 0.00 0.08 0.00 0.00 57.88 57.47 3hye h LEU 133 Cb 0.52 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.22 3hye h LEU 133 CO 0.01 1.16 -1.53 0.40 -1.08 0.00 0.00 178.44 177.40 3hye h ILE 134 N 0.02 0.99 -0.68 1.22 2.04 -1.14 -3.39 117.51 116.57 3hye h ILE 134 Ca -0.18 -2.43 0.12 0.00 1.00 0.00 0.00 64.86 63.37 3hye h ILE 134 Cb 1.93 2.72 -0.08 0.00 -0.74 0.00 0.00 36.82 40.65 3hye h ILE 134 CO 0.12 0.76 0.25 0.24 0.00 0.00 0.00 178.15 179.52 3hye h MET 135 N -0.18 0.40 -0.67 2.37 2.86 -1.56 -1.47 114.93 116.68 3hye h MET 135 Ca -0.32 -0.02 0.04 0.00 -2.06 0.00 0.00 59.70 57.34 3hye h MET 135 Cb 1.86 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 33.39 3hye h MET 135 CO 0.09 0.26 0.40 -1.35 1.06 0.00 0.00 176.91 177.38 3hye h PRO 136 N 0.41 0.74 0.15 -0.22 0.11 -1.78 -0.26 132.00 131.14 3hye h PRO 136 Ca 0.36 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.44 3hye h PRO 136 Cb 0.50 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 3hye h PRO 136 CO -0.37 0.49 -0.24 0.35 -0.21 0.00 0.00 178.00 178.03 3hye h PHE 137 N 0.76 -0.63 -0.96 0.65 3.57 -1.50 -2.49 116.94 116.35 3hye h PHE 137 Ca 0.28 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.83 3hye h PHE 137 Cb 0.09 0.26 -0.06 0.00 2.79 0.00 0.00 35.95 39.03 3hye h PHE 137 CO -0.06 -0.34 0.63 -0.07 -2.23 0.00 0.00 178.31 176.24 3hye h LEU 138 N -0.46 1.03 -1.19 0.59 4.07 -0.84 0.13 115.31 118.64 3hye h LEU 138 Ca 0.02 -0.01 0.05 0.00 0.08 0.00 0.00 57.88 58.02 3hye h LEU 138 Cb 0.46 -0.23 -0.05 0.00 1.08 0.00 0.00 40.66 41.92 3hye h LEU 138 CO -0.11 0.70 0.56 0.44 -1.08 0.00 0.00 178.44 178.95 3hye h ASP 139 N 1.19 0.89 0.02 -0.43 3.32 -0.64 0.17 116.42 120.94 3hye h ASP 139 Ca 0.39 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.36 3hye h ASP 139 Cb 0.04 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.40 3hye h ASP 139 CO -0.12 0.60 -0.30 -1.13 -1.72 0.00 0.00 179.24 176.56 3hye h ASN 140 N 1.03 0.23 0.68 6.45 -0.00 -0.87 -1.09 115.58 122.01 3hye h ASN 140 Ca 0.35 -0.83 0.00 0.00 -0.00 0.00 0.00 56.30 55.82 3hye h ASN 140 Cb 0.10 -0.07 0.00 0.00 -0.00 0.00 0.00 38.32 38.35 3hye h ASN 140 CO -0.11 1.04 -0.70 0.00 -0.00 0.00 0.00 177.43 177.66 3hye n GLN 141 N -4.46 0.23 -0.06 6.67 1.13 0.36 -2.45 117.38 118.79 3hye n GLN 141 Ca -0.10 0.05 -0.08 0.00 -1.94 0.00 0.00 57.00 54.92 3hye n GLN 141 Cb 0.55 -1.62 -0.06 0.00 0.11 0.00 0.00 30.24 29.22 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 -1.94 0.71 -0.05 5.09 0.31 0.59 -4.62 118.33 118.41 3hye n VAL 142 Ca 0.03 -0.28 0.08 0.00 -0.01 0.00 0.00 64.34 64.17 3hye n VAL 142 Cb 0.42 -0.93 0.20 0.00 -0.91 0.00 0.00 33.84 32.61 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 -2.84 3.19 -3.78 4.52 3.02 -1.16 -4.98 115.26 113.23 3hye n ASN 143 Ca -0.22 -1.93 -0.29 0.00 -0.03 0.00 0.00 54.58 52.11 3hye n ASN 143 Cb 0.74 -0.27 -0.01 0.00 -0.61 0.00 0.00 39.78 39.62 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 1.02 -1.79 -1.97 3.10 3.72 -1.03 -4.91 117.46 115.60 3hye n PHE 144 Ca 0.16 0.63 -0.40 0.00 -0.05 0.00 0.00 57.45 57.79 3hye n PHE 144 Cb 0.50 -2.89 -0.00 0.00 -0.94 0.00 0.00 39.48 36.14 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 -6.45 3.96 0.00 -1.08 -0.14 -0.43 -2.58 119.74 113.02 3hye s LYS 14 Ca 0.57 2.27 0.00 0.00 -1.36 0.00 0.00 55.97 57.45 3hye s LYS 14 Cb -0.31 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.05 3hye s LYS 14 CO 0.70 -0.54 0.00 0.09 -0.76 0.00 0.00 175.35 174.84 3hye n ASN 14 N 0.17 -3.88 -4.57 2.83 4.13 -1.26 -4.60 115.26 108.08 3hye n ASN 14 Ca 0.03 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.94 3hye n ASN 14 Cb 0.42 -2.49 -0.11 0.00 -1.54 0.00 0.00 39.78 36.07 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 -1.28 3.85 0.43 3.52 -0.21 -1.07 -5.09 119.66 119.80 3hye s GLN 14 Ca 0.00 -0.40 0.05 0.00 0.02 0.00 0.00 55.36 55.02 3hye s GLN 14 Cb 0.00 -3.20 -0.06 0.00 1.00 0.00 0.00 33.01 30.75 3hye s GLN 14 CO 0.00 0.15 0.02 0.71 -2.12 0.00 0.00 175.29 174.04 3hye s TYR 14 N 0.70 2.25 -0.20 0.91 2.02 -1.26 -1.78 117.35 119.99 3hye s TYR 14 Ca 0.03 -0.80 -0.29 0.00 -0.37 0.00 0.00 57.07 55.63 3hye s TYR 14 Cb -0.13 -1.66 -0.02 0.00 -0.40 0.00 0.00 41.96 39.75 3hye s TYR 14 CO 0.02 0.32 1.37 -1.21 -1.57 0.00 0.00 175.55 174.47 3hye s GLU 14 N -3.78 4.08 -0.09 -0.62 0.41 0.90 -4.60 118.70 115.00 3hye s GLU 14 Ca 0.26 1.60 -0.38 0.00 -0.41 0.00 0.00 54.97 56.05 3hye s GLU 14 Cb 0.07 -3.86 -0.15 0.00 -1.78 0.00 0.00 34.13 28.41 3hye s GLU 14 CO 0.13 -0.92 1.63 -2.30 -0.49 0.00 0.00 175.26 173.31 3hye n PRO 14 N 7.01 1.42 0.00 0.39 -0.02 -1.26 -0.72 135.00 141.82 3hye n PRO 14 Ca 0.15 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3hye n PRO 14 Cb 0.45 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 3.65 3.45 0.00 -1.23 0.00 -1.26 -4.91 105.19 104.89 3hye n GLY 14 Ca 0.22 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 -1.98 0.00 -3.46 2.61 -2.24 0.11 -4.87 114.28 104.44 3hye n THR 14 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 3hye n THR 14 Cb 0.00 -0.40 0.08 0.00 -2.10 0.00 0.00 70.33 67.91 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 -0.90 -5.13 -2.07 3.42 4.05 -1.26 -1.22 115.26 112.16 3hye n ASN 1 Ca 0.19 -0.51 -0.14 0.00 0.45 0.00 0.00 54.58 54.57 3hye n ASN 1 Cb 0.09 -4.68 -0.03 0.00 1.23 0.00 0.00 39.78 36.39 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 -1.72 0.16 0.03 8.20 0.00 -1.26 -4.80 105.19 105.81 3hye n GLY 14 Ca -0.05 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.52 0.30 -0.82 1.61 4.76 -0.36 -5.01 118.16 116.11 3hye n LYS 14 Ca -0.16 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.26 3hye n LYS 14 Cb 0.57 -1.58 0.00 0.00 -1.84 0.00 0.00 35.03 32.18 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 -1.95 0.00 -4.17 -0.18 0.31 -1.26 -5.07 118.33 106.01 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 -0.24 3.72 0.29 5.55 2.20 -0.73 -0.07 119.74 130.46 3hye s LYS 14 Ca 0.00 -0.48 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 3hye s LYS 14 Cb 0.00 -3.06 -0.12 0.00 -1.51 0.00 0.00 37.83 33.14 3hye s LYS 14 CO 0.00 0.15 1.47 -0.35 -0.36 0.00 0.00 175.35 176.26 3hye n PRO 14 N 3.85 2.38 -0.53 4.03 -0.04 -1.26 -4.90 135.00 138.53 3hye n PRO 14 Ca -0.17 0.84 -0.04 0.00 -0.04 0.00 0.00 63.50 64.10 3hye n PRO 14 Cb 0.52 -2.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.38 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 1.78 4.01 -4.63 1.53 4.77 -1.26 -4.95 117.00 118.25 3hye n LEU 14 Ca 0.08 -2.11 -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 0.93 0.86 1.17 -1.33 0.00 0.00 177.39 179.65 3hye n LYS 14 N 2.03 1.68 -3.56 3.23 4.81 -1.26 -4.92 118.16 120.17 3hye n LYS 14 Ca 0.13 0.60 -0.37 0.00 -0.87 0.00 0.00 58.31 57.80 3hye n LYS 14 Cb 0.51 -2.16 -0.06 0.00 0.02 0.00 0.00 35.03 33.33 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 -0.28 3.67 0.54 5.64 6.14 -1.26 -5.07 117.35 126.73 3hye s TYR 145 Ca 0.68 0.88 -0.19 0.00 0.64 0.00 0.00 57.07 59.08 3hye s TYR 145 Cb -0.72 -2.21 -0.06 0.00 0.42 0.00 0.00 41.96 39.39 3hye s TYR 145 CO 0.52 0.61 1.12 -0.51 0.64 0.00 0.00 175.55 177.93 3hye s LEU 146 N -1.37 3.75 0.59 6.97 1.43 -1.26 -5.04 118.68 123.75 3hye s LEU 146 Ca 0.26 2.15 -0.03 0.00 -1.03 0.00 0.00 54.13 55.48 3hye s LEU 146 Cb -0.15 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.52 3hye s LEU 146 CO 0.14 -1.19 0.86 -0.94 0.23 0.00 0.00 176.35 175.46 3hye s SER 147 N -1.82 5.26 0.42 2.29 1.04 -1.26 -4.54 113.70 115.09 3hye s SER 147 Ca 0.72 0.32 0.09 0.00 0.48 0.00 0.00 55.95 57.56 3hye s SER 147 Cb -0.23 -1.20 0.89 0.00 0.10 0.00 0.00 66.02 65.58 3hye s SER 147 CO 0.27 -1.21 2.01 1.62 0.98 0.00 0.00 173.24 176.90 3hye h VAL 148 N -0.15 1.12 -0.36 5.02 3.04 -1.99 -0.61 116.25 122.33 3hye h VAL 148 Ca -0.44 -0.41 -0.15 0.00 -1.01 0.00 0.00 66.70 64.69 3hye h VAL 148 Cb 1.29 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.45 3hye h VAL 148 CO 0.57 0.15 -0.37 -0.33 -1.01 0.00 0.00 177.57 176.57 3hye h GLU 149 N 0.33 0.88 -0.26 4.17 3.07 -1.99 -0.94 114.58 119.84 3hye h GLU 149 Ca 0.08 -0.47 -0.14 0.00 -0.50 0.00 0.00 59.36 58.32 3hye h GLU 149 Cb 0.14 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3hye h GLU 149 CO -0.00 1.12 -0.43 1.49 -1.40 0.00 0.00 179.01 179.78 3hye h GLU 150 N 0.68 0.63 -0.16 2.33 4.57 -1.82 -2.57 114.58 118.24 3hye h GLU 150 Ca 0.05 -0.34 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 3hye h GLU 150 Cb 0.97 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 3hye h GLU 150 CO 0.09 0.94 0.04 0.28 -1.18 0.00 0.00 179.01 179.19 3hye h VAL 151 N 0.51 1.20 -0.87 0.32 2.07 -1.01 -2.56 116.25 115.92 3hye h VAL 151 Ca 0.04 -0.63 0.11 0.00 0.82 0.00 0.00 66.70 67.04 3hye h VAL 151 Cb 0.96 1.31 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 3hye h VAL 151 CO 0.09 0.19 0.56 0.40 0.02 0.00 0.00 177.57 178.83 3hye h ILE 152 N 0.07 0.93 -0.31 4.57 1.08 -1.07 -0.06 117.51 122.71 3hye h ILE 152 Ca 0.05 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 3hye h ILE 152 Cb 0.26 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.05 3hye h ILE 152 CO 0.00 0.15 0.14 0.11 -0.69 0.00 0.00 178.15 177.85 3hye h LYS 153 N 0.80 0.46 -0.72 2.37 1.57 -1.20 -0.21 116.57 119.64 3hye h LYS 153 Ca 0.41 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.10 3hye h LYS 153 Cb 0.50 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 3hye h LYS 153 CO -0.18 0.45 0.39 -0.07 -0.57 0.00 0.00 179.45 179.47 3hye h LEU 154 N 0.36 0.90 -0.08 2.94 3.38 -0.86 -0.71 115.31 121.24 3hye h LEU 154 Ca 0.11 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hye h LEU 154 Cb 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3hye h LEU 154 CO -0.01 0.73 0.05 0.58 0.09 0.00 0.00 178.44 179.89 3hye h VAL 155 N 0.99 1.02 -0.73 1.22 2.07 -0.73 0.71 116.25 120.79 3hye h VAL 155 Ca 0.25 -0.04 -0.05 0.00 0.82 0.00 0.00 66.70 67.68 3hye h VAL 155 Cb 0.04 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 3hye h VAL 155 CO -0.04 0.02 0.26 0.03 0.02 0.00 0.00 177.57 177.86 3hye h ARG 156 N 0.11 1.11 -0.17 1.57 3.08 -0.73 -1.56 114.38 117.79 3hye h ARG 156 Ca 0.03 -0.21 -0.14 0.00 0.07 0.00 0.00 59.98 59.72 3hye h ARG 156 Cb -0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3hye h ARG 156 CO -0.01 0.92 -0.50 -0.44 -1.07 0.00 0.00 179.97 178.87 3hye h ASP 157 N 1.07 0.50 -0.75 7.04 3.45 -0.96 -1.39 116.42 125.38 3hye h ASP 157 Ca 0.24 -0.25 0.00 0.00 0.43 0.00 0.00 57.03 57.45 3hye h ASP 157 Cb 0.25 -0.14 -0.04 0.00 -0.56 0.00 0.00 39.33 38.84 3hye h ASP 157 CO -0.01 0.92 0.48 0.28 -1.57 0.00 0.00 179.24 179.34 3hye h SER 158 N 0.36 0.87 0.30 6.45 0.02 -0.33 -1.73 113.55 119.50 3hye h SER 158 Ca 0.02 -0.03 -0.28 0.00 -0.84 0.00 0.00 61.79 60.65 3hye h SER 158 Cb 1.01 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 63.35 3hye h SER 158 CO 0.09 0.64 -1.20 -0.26 -1.14 0.00 0.00 176.83 174.96 3hye h PHE 159 N 1.01 0.80 -0.20 3.45 -1.00 -1.12 -1.80 116.94 118.09 3hye h PHE 159 Ca 0.27 -0.51 -0.07 0.00 2.81 0.00 0.00 57.97 60.46 3hye h PHE 159 Cb -0.10 -0.06 -0.01 0.00 3.61 0.00 0.00 35.95 39.39 3hye h PHE 159 CO -0.02 1.37 -0.20 1.79 -1.61 0.00 0.00 178.31 179.63 3hye h THR 160 N 0.21 1.23 -0.03 -1.55 1.35 -1.22 0.25 112.91 113.16 3hye h THR 160 Ca -0.16 -1.08 -0.01 0.00 -0.55 0.00 0.00 66.41 64.61 3hye h THR 160 Cb 1.87 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 69.61 3hye h THR 160 CO 0.22 0.34 -0.02 0.28 -0.25 0.00 0.00 175.52 176.09 3hye h SER 161 N 0.32 0.07 -0.57 5.36 0.02 -1.33 -2.54 113.55 114.88 3hye h SER 161 Ca 0.05 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 3hye h SER 161 Cb 0.55 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3hye h SER 161 CO 0.04 0.50 0.36 0.00 -1.14 0.00 0.00 176.83 176.58 3hye h ALA 162 N 0.58 1.55 0.00 3.77 0.00 -0.99 -1.29 119.26 122.88 3hye h ALA 162 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3hye h ALA 162 Cb 0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3hye h ALA 162 CO 0.01 0.40 -0.21 1.15 0.00 0.00 0.00 179.25 180.60 3hye h THR 163 N 0.79 0.95 -0.03 0.00 2.02 -0.39 0.83 112.91 117.09 3hye h THR 163 Ca 0.21 -0.76 -0.20 0.00 0.77 0.00 0.00 66.41 66.43 3hye h THR 163 Cb -0.06 1.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 3hye h THR 163 CO -0.04 0.20 -0.84 -0.33 0.37 0.00 0.00 175.52 174.88 3hye h GLU 164 N 0.00 0.34 -0.00 6.66 4.39 -0.80 -3.37 114.58 121.79 3hye h GLU 164 Ca -0.00 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3hye h GLU 164 Cb 0.42 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3hye h GLU 164 CO 0.03 1.00 -0.50 0.54 -1.16 0.00 0.00 179.01 178.92 3hye n ARG 165 N -3.75 2.95 -4.27 2.33 5.12 -1.03 -4.95 116.66 113.06 3hye n ARG 165 Ca -0.05 -0.11 -0.32 0.00 -1.93 0.00 0.00 57.85 55.45 3hye n ARG 165 Cb 0.78 -1.07 -0.16 0.00 -1.16 0.00 0.00 32.46 30.85 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 -2.02 2.49 -0.74 -1.55 2.46 0.26 -5.01 115.29 111.19 3hye s HIS 166 Ca 0.05 -1.37 0.13 0.00 0.47 0.00 0.00 55.06 54.35 3hye s HIS 166 Cb 0.09 -1.74 0.62 0.00 -0.13 0.00 0.00 32.58 31.41 3hye s HIS 166 CO 0.45 -0.68 1.41 0.44 -2.47 0.00 0.00 174.74 173.89 3hye n ILE 167 N 4.47 1.27 1.00 0.89 -5.35 -1.26 -2.10 119.36 118.28 3hye n ILE 167 Ca -0.19 0.42 0.11 0.00 -0.27 0.00 0.00 62.75 62.81 3hye n ILE 167 Cb 0.51 -1.33 0.02 0.00 -1.74 0.00 0.00 39.64 37.10 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 -1.80 0.01 -3.68 6.28 6.02 -1.26 -4.88 117.38 118.06 3hye n GLN 168 Ca 0.01 -0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.64 3hye n GLN 168 Cb 0.10 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.78 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 -3.00 5.38 -4.06 5.09 1.01 -0.89 -4.12 120.40 119.81 3hye s VAL 169 Ca 0.09 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3hye s VAL 169 Cb 0.17 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3hye s VAL 169 CO 0.80 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.90 3hye n GLY 170 N 3.88 -0.89 5.00 4.51 0.00 -1.26 -4.45 105.19 111.98 3hye n GLY 170 Ca -0.15 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.79 3hye n GLY 170 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hye n ASP 171 N 1.10 0.00 -3.46 1.61 8.00 -0.34 -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 -0.57 -0.12 0.44 0.00 -1.26 -1.43 107.32 104.38 3hye s GLY 172 Ca 0.00 0.80 0.01 0.00 0.00 0.00 0.00 44.72 45.53 3hye s GLY 172 CO 0.00 0.36 -0.13 -2.27 0.00 0.00 0.00 173.10 171.06 3hye s LEU 173 N -2.38 1.58 -0.17 0.66 2.96 0.14 -0.06 118.68 121.41 3hye s LEU 173 Ca -0.00 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 3hye s LEU 173 Cb -0.01 -1.05 0.01 0.00 0.50 0.00 0.00 46.19 45.65 3hye s LEU 173 CO -0.08 -0.04 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.03 3hye s GLU 174 N 1.31 3.07 -0.02 1.98 2.12 -0.81 -0.81 118.70 125.53 3hye s GLU 174 Ca -0.00 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 54.54 3hye s GLU 174 Cb -0.14 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.62 3hye s GLU 174 CO -0.06 -0.14 -0.06 0.42 -0.54 0.00 0.00 175.26 174.88 3hye s ILE 175 N 1.15 3.72 -0.17 -3.70 1.09 -0.10 -2.11 121.20 121.08 3hye s ILE 175 Ca 0.01 -0.64 0.01 0.00 -1.10 0.00 0.00 60.65 58.93 3hye s ILE 175 Cb -0.14 -2.59 0.02 0.00 -1.06 0.00 0.00 42.46 38.69 3hye s ILE 175 CO -0.08 0.47 -0.19 -0.76 -0.10 0.00 0.00 174.94 174.28 3hye s LEU 176 N -1.20 2.06 -0.14 2.97 1.02 -0.86 -1.39 118.68 121.15 3hye s LEU 176 Ca 0.16 -0.62 -0.05 0.00 0.02 0.00 0.00 54.13 53.63 3hye s LEU 176 Cb -0.11 -1.43 -0.04 0.00 0.02 0.00 0.00 46.19 44.63 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 1.29 4.65 -0.15 -0.59 1.09 0.45 -1.67 121.20 126.28 3hye s ILE 177 Ca 0.04 -0.10 0.01 0.00 -1.10 0.00 0.00 60.65 59.50 3hye s ILE 177 Cb -0.13 -3.04 0.00 0.00 -1.06 0.00 0.00 42.46 38.23 3hye s ILE 177 CO -0.12 0.54 -0.17 -0.69 -0.10 0.00 0.00 174.94 174.39 3hye s VAL 178 N -0.25 2.52 0.35 2.92 1.01 0.41 -0.62 120.40 126.74 3hye s VAL 178 Ca 0.07 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.29 3hye s VAL 178 Cb -0.12 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 3hye s VAL 178 CO 0.02 0.53 0.24 0.42 0.00 0.00 0.00 175.10 176.30 3hye s THR 179 N 0.76 0.14 -0.37 3.92 -4.23 -0.54 -1.68 115.64 113.64 3hye s THR 179 Ca -0.07 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 58.64 3hye s THR 179 Cb -0.16 -2.45 0.20 0.00 1.34 0.00 0.00 72.50 71.44 3hye s THR 179 CO 0.00 0.00 1.60 2.29 -0.54 0.00 0.00 174.62 177.97 3hye n LYS 180 N -0.70 0.13 0.00 3.99 2.85 -1.26 -1.13 118.16 122.05 3hye n LYS 180 Ca 0.04 0.56 0.13 0.00 -1.05 0.00 0.00 58.31 57.99 3hye n LYS 180 Cb 0.63 -1.88 0.32 0.00 -0.65 0.00 0.00 35.03 33.45 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 -2.15 1.35 0.00 -5.58 8.00 -1.26 -5.06 116.55 111.84 3hye n ASP 182 Ca -0.00 -1.13 0.00 0.00 0.71 0.00 0.00 54.79 54.36 3hye n ASP 182 Cb 0.08 0.17 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 3.35 0.44 0.00 -0.28 -5.03 105.19 105.48 3hye n GLY 183 Ca 0.13 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.67 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 3.34 0.18 1.61 1.01 -1.26 -1.47 120.40 123.38 3hye s VAL 184 Ca 0.00 -0.52 0.09 0.00 0.00 0.00 0.00 61.98 61.55 3hye s VAL 184 Cb 0.00 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 3hye s VAL 184 CO 0.00 0.46 -0.12 -0.60 0.00 0.00 0.00 175.10 174.84 3hye s ARG 185 N 1.04 1.97 -0.01 2.72 3.52 0.21 -4.95 118.95 123.45 3hye s ARG 185 Ca 0.00 -1.32 0.06 0.00 -0.13 0.00 0.00 55.73 54.35 3hye s ARG 185 Cb -0.15 -2.10 -0.02 0.00 -1.56 0.00 0.00 34.95 31.12 3hye s ARG 185 CO -0.00 0.43 -0.19 0.15 -0.81 0.00 0.00 175.30 174.87 3hye s LYS 186 N -2.81 1.54 0.05 5.12 1.02 -1.26 -0.41 119.74 122.99 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 -0.09 -1.51 -0.03 0.00 -0.52 0.00 0.00 37.83 35.69 3hye s LYS 186 CO 0.14 0.41 -0.14 -1.21 -0.92 0.00 0.00 175.35 173.63 3hye s GLU 187 N -0.57 0.88 -0.01 1.68 2.02 -0.48 -5.00 118.70 117.22 3hye s GLU 187 Ca 0.07 -0.85 0.01 0.00 0.02 0.00 0.00 54.97 54.23 3hye s GLU 187 Cb -0.08 -0.89 0.01 0.00 0.10 0.00 0.00 34.13 33.26 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 -1.04 0.44 0.01 1.61 5.36 -1.26 -0.93 117.98 122.17 3hye s PHE 188 Ca 0.00 -0.08 0.02 0.00 -0.96 0.00 0.00 56.93 55.91 3hye s PHE 188 Cb -0.09 -0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 42.24 3hye s PHE 188 CO 0.02 -0.05 -0.05 0.71 -1.46 0.00 0.00 175.22 174.38 3hye s TYR 189 N 0.22 0.48 0.54 10.12 1.51 0.01 -4.99 117.35 125.24 3hye s TYR 189 Ca -0.02 -0.25 -0.17 0.00 -1.01 0.00 0.00 57.07 55.62 3hye s TYR 189 Cb -0.06 -0.30 -0.06 0.00 -0.11 0.00 0.00 41.96 41.43 3hye s TYR 189 CO -0.00 -0.04 1.02 -1.21 -1.11 0.00 0.00 175.55 174.21 3hye s GLU 190 N -0.69 3.66 0.15 -0.62 0.41 -1.26 0.24 118.70 120.59 3hye s GLU 190 Ca -0.03 1.15 0.05 0.00 -0.41 0.00 0.00 54.97 55.73 3hye s GLU 190 Cb -0.05 -2.09 -0.04 0.00 -1.78 0.00 0.00 34.13 30.17 3hye s GLU 190 CO -0.00 -0.52 -0.12 -0.51 -0.49 0.00 0.00 175.26 173.62 3hye s LEU 191 N -4.09 2.50 0.33 1.80 1.43 -0.51 -4.73 118.68 115.40 3hye s LEU 191 Ca 0.63 -0.96 -0.28 0.00 -1.03 0.00 0.00 54.13 52.49 3hye s LEU 191 Cb -0.14 -0.44 -0.12 0.00 0.03 0.00 0.00 46.19 45.52 3hye s LEU 191 CO 0.30 -0.26 1.30 0.29 0.23 0.00 0.00 176.35 178.21 3hye n LYS 192 N -0.01 2.10 -0.36 1.70 5.02 -1.26 -3.31 118.16 122.03 3hye n LYS 192 Ca -0.11 0.74 0.09 0.00 -2.02 0.00 0.00 58.31 57.00 3hye n LYS 192 Cb 0.60 -2.33 0.27 0.00 -0.02 0.00 0.00 35.03 33.55 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 0.77 2.63 0.00 1.97 1.74 -1.26 -1.20 116.66 121.31 3hye n ARG 193 Ca 0.06 -2.18 0.14 0.00 -0.77 0.00 0.00 57.85 55.09 3hye n ARG 193 Cb 0.35 -1.56 0.51 0.00 -1.02 0.00 0.00 32.46 30.74 3hye n ARG 193 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71