#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hye n LYS 20 N 0.00 0.82 -0.42 1.97 5.02 -1.26 -4.85 118.16 119.45 2hye n LYS 20 Ca 0.00 0.31 -0.02 0.00 -2.02 0.00 0.00 58.31 56.58 2hye n LYS 20 Cb 0.00 -1.91 0.13 0.00 -0.02 0.00 0.00 35.03 33.23 2hye n LYS 20 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2hye n ARG 21 N -0.25 2.18 0.00 1.97 1.85 -1.26 -4.77 116.66 116.38 2hye n ARG 21 Ca 0.12 -1.26 0.00 0.00 -1.00 0.00 0.00 57.85 55.71 2hye n ARG 21 Cb 0.45 -1.69 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 2hye n ARG 21 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2hye n PHE 22 N 0.09 0.00 -1.08 2.89 0.99 -1.26 -5.18 117.46 113.91 2hye n PHE 22 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.61 2hye n PHE 22 Cb 0.77 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.25 2hye n PHE 22 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2hye n GLU 23 N 0.00 2.46 -3.92 -1.08 1.02 -1.26 -5.10 120.64 112.77 2hye n GLU 23 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2hye n GLU 23 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 31.44 31.26 2hye n GLU 23 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2hye s VAL 24 N 1.31 1.23 -0.08 2.62 1.01 -1.26 -5.03 120.40 120.19 2hye s VAL 24 Ca 0.00 -0.69 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 2hye s VAL 24 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 2hye s VAL 24 CO 0.00 0.16 -0.04 0.50 0.00 0.00 0.00 175.10 175.73 2hye h LYS 25 N 8.09 0.00 -6.21 2.72 1.63 -2.08 -3.47 116.57 117.25 2hye h LYS 25 Ca -0.26 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 58.99 2hye h LYS 25 Cb 1.11 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.66 2hye h LYS 25 CO 0.42 0.00 -0.62 0.15 -3.45 0.00 0.00 179.45 175.95 2hye s LYS 26 N -1.54 2.45 -0.31 1.90 1.02 -1.26 -5.11 119.74 116.90 2hye s LYS 26 Ca -0.03 -1.31 0.02 0.00 0.02 0.00 0.00 55.97 54.67 2hye s LYS 26 Cb 0.00 -2.27 0.16 0.00 -0.52 0.00 0.00 37.83 35.20 2hye s LYS 26 CO 0.04 0.38 0.40 -0.46 -0.92 0.00 0.00 175.35 174.79 2hye s TRP 27 N -2.23 -0.84 -0.12 3.18 -0.00 -1.26 -5.13 118.94 112.54 2hye s TRP 27 Ca 0.31 0.04 -0.21 0.00 -0.00 0.00 0.00 56.10 56.25 2hye s TRP 27 Cb -0.07 -0.23 -0.04 0.00 -0.00 0.00 0.00 33.47 33.14 2hye s TRP 27 CO 0.21 -0.98 0.59 -0.80 -0.00 0.00 0.00 176.95 175.97 2hye s ASN 28 N 2.29 6.80 0.31 5.86 0.02 -1.26 -5.06 114.94 123.90 2hye s ASN 28 Ca 0.11 0.96 0.10 0.00 -1.02 0.00 0.00 52.86 53.01 2hye s ASN 28 Cb -0.13 -2.35 -0.06 0.00 0.02 0.00 0.00 41.25 38.74 2hye s ASN 28 CO -0.25 -0.10 -0.10 0.00 0.02 0.00 0.00 177.10 176.67 2hye s ALA 29 N 0.98 2.96 0.00 0.60 0.00 -1.26 -5.15 121.76 119.90 2hye s ALA 29 Ca 0.31 -1.95 0.01 0.00 0.00 0.00 0.00 51.96 50.33 2hye s ALA 29 Cb -0.16 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 2hye s ALA 29 CO 0.13 0.16 -0.03 0.08 0.00 0.00 0.00 175.76 176.11 2hye s VAL 30 N -2.53 0.20 -0.04 0.00 1.01 -1.26 -5.15 120.40 112.63 2hye s VAL 30 Ca 0.32 -0.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 2hye s VAL 30 Cb -0.02 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.19 2hye s VAL 30 CO 0.17 -0.04 0.36 0.00 0.00 0.00 0.00 175.10 175.59 2hye s ALA 31 N -0.31 -0.91 -0.10 5.51 0.00 -1.26 -5.16 121.76 119.53 2hye s ALA 31 Ca -0.02 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.50 2hye s ALA 31 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 2hye s ALA 31 CO -0.00 -0.26 -0.12 -0.51 0.00 0.00 0.00 175.76 174.87 2hye s LEU 32 N -1.07 2.81 0.15 0.00 1.43 -1.26 -5.12 118.68 115.61 2hye s LEU 32 Ca -0.11 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.79 2hye s LEU 32 Cb -0.04 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 2hye s LEU 32 CO 0.04 0.25 0.16 -1.66 0.23 0.00 0.00 176.35 175.36 2hye s TRP 33 N -0.13 3.22 0.03 0.29 1.48 -1.26 -5.11 118.94 117.46 2hye s TRP 33 Ca -0.01 0.02 -0.18 0.00 -1.06 0.00 0.00 56.10 54.88 2hye s TRP 33 Cb -0.13 -1.56 0.03 0.00 -1.16 0.00 0.00 33.47 30.65 2hye s TRP 33 CO 0.03 0.52 0.40 0.00 -4.06 0.00 0.00 176.95 173.84 2hye s ALA 34 N -1.70 -0.97 0.27 2.67 0.00 -1.26 -5.14 121.76 115.64 2hye s ALA 34 Ca 0.31 0.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 2hye s ALA 34 Cb -0.11 0.30 -0.10 0.00 0.00 0.00 0.00 23.12 23.22 2hye s ALA 34 CO 0.24 -0.43 1.39 -1.58 0.00 0.00 0.00 175.76 175.39 2hye s TRP 35 N -2.32 3.03 -0.53 0.00 0.52 -1.26 -4.95 118.94 113.43 2hye s TRP 35 Ca -0.06 1.16 -0.24 0.00 0.02 0.00 0.00 56.10 56.97 2hye s TRP 35 Cb -0.01 -3.77 0.04 0.00 -1.15 0.00 0.00 33.47 28.58 2hye s TRP 35 CO -0.01 -2.38 0.93 0.34 0.02 0.00 0.00 176.95 175.84 2hye s ASP 36 N 0.12 6.37 -0.58 2.95 2.15 -1.26 -4.97 116.67 121.44 2hye s ASP 36 Ca 0.56 -0.26 0.03 0.00 0.43 0.00 0.00 52.55 53.31 2hye s ASP 36 Cb -0.41 -2.43 0.14 0.00 -0.30 0.00 0.00 42.92 39.92 2hye s ASP 36 CO 0.46 -1.18 0.35 -0.51 -0.17 0.00 0.00 175.17 174.12 2hye s ILE 37 N 3.87 2.81 0.00 4.11 2.07 -1.26 -5.03 121.20 127.77 2hye s ILE 37 Ca 0.31 -3.54 0.00 0.00 -1.41 0.00 0.00 60.65 56.01 2hye s ILE 37 Cb -0.12 -2.91 0.00 0.00 0.13 0.00 0.00 42.46 39.56 2hye s ILE 37 CO 0.21 -0.86 0.00 1.33 -1.91 0.00 0.00 174.94 173.70 2hye n VAL 38 N 2.84 0.00 -2.99 4.00 0.24 -1.26 -0.75 118.33 120.41 2hye n VAL 38 Ca 0.09 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.18 2hye n VAL 38 Cb 0.33 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.72 2hye n VAL 38 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2hye n VAL 39 N 0.49 -1.50 -2.88 3.34 0.31 -1.26 -3.64 118.33 113.19 2hye n VAL 39 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 2hye n VAL 39 Cb 0.00 -2.82 0.00 0.00 -0.91 0.00 0.00 33.84 30.11 2hye n VAL 39 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2hye n ASP 40 N -2.34 -1.19 -4.82 4.52 5.68 0.07 -4.80 116.55 113.68 2hye n ASP 40 Ca -0.10 -0.25 -0.37 0.00 -0.50 0.00 0.00 54.79 53.56 2hye n ASP 40 Cb 0.61 -0.40 -0.06 0.00 -1.14 0.00 0.00 41.12 40.13 2hye n ASP 40 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2hye s ASN 41 N -2.38 7.02 0.46 -1.12 0.02 -1.22 -1.96 114.94 115.76 2hye s ASN 41 Ca 0.01 1.30 -0.21 0.00 -1.02 0.00 0.00 52.86 52.94 2hye s ASN 41 Cb -0.00 -2.37 -0.12 0.00 0.02 0.00 0.00 41.25 38.77 2hye s ASN 41 CO 0.23 0.14 0.40 0.00 0.02 0.00 0.00 177.10 177.88 2hye n ALA 43 N -1.14 3.24 -0.04 0.00 0.00 -1.26 -1.56 120.51 119.74 2hye n ALA 43 Ca 0.11 -0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.28 2hye n ALA 43 Cb 0.42 -0.40 -0.17 0.00 0.00 0.00 0.00 19.45 19.30 2hye n ALA 43 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2hye n ILE 44 N -1.39 0.50 -0.06 0.00 5.41 -1.26 -4.36 119.36 118.19 2hye n ILE 44 Ca 0.01 -0.63 0.00 0.00 1.00 0.00 0.00 62.75 63.13 2hye n ILE 44 Cb 0.20 -0.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.96 2hye n ILE 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hye n ARG 46 N -0.53 -0.79 0.00 0.00 1.85 -0.60 -4.89 116.66 111.70 2hye n ARG 46 Ca 0.00 0.21 0.00 0.00 -1.00 0.00 0.00 57.85 57.06 2hye n ARG 46 Cb 0.02 -1.28 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 2hye n ARG 46 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2hye n ASN 47 N -1.25 0.00 -4.27 2.89 5.03 -1.23 -4.82 115.26 111.60 2hye n ASN 47 Ca -0.15 0.00 -0.29 0.00 0.87 0.00 0.00 54.58 55.01 2hye n ASN 47 Cb 0.40 0.00 -0.15 0.00 -1.02 0.00 0.00 39.78 39.01 2hye n ASN 47 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 2hye s HIS 48 N 2.87 2.07 0.51 3.10 5.65 -1.26 -2.63 115.29 125.59 2hye s HIS 48 Ca 0.00 -0.39 0.27 0.00 0.25 0.00 0.00 55.06 55.18 2hye s HIS 48 Cb 0.00 -1.30 1.36 0.00 -1.18 0.00 0.00 32.58 31.46 2hye s HIS 48 CO 0.00 0.01 1.91 0.97 -0.65 0.00 0.00 174.74 176.98 2hye h ILE 49 N 4.47 0.63 -2.63 0.89 -0.00 -1.59 -3.09 117.51 116.19 2hye h ILE 49 Ca -0.42 -0.04 -0.60 0.00 -0.00 0.00 0.00 64.86 63.80 2hye h ILE 49 Cb 1.14 0.51 -0.41 0.00 -0.00 0.00 0.00 36.82 38.06 2hye h ILE 49 CO 0.46 0.02 -0.69 1.15 -0.00 0.00 0.00 178.15 179.09 2hye n MET 50 N -4.35 1.64 -3.07 2.19 0.00 -1.26 -4.75 117.12 107.51 2hye n MET 50 Ca 0.17 -4.20 0.04 0.00 0.00 0.00 0.00 57.70 53.70 2hye n MET 50 Cb 0.81 -2.08 -0.00 0.00 0.00 0.00 0.00 33.22 31.95 2hye n MET 50 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2hye s ASP 51 N -1.46 -0.85 0.00 3.17 -1.08 -1.17 -5.13 116.67 110.15 2hye s ASP 51 Ca 0.31 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.25 2hye s ASP 51 Cb 0.04 1.36 0.00 0.00 -1.46 0.00 0.00 42.92 42.86 2hye s ASP 51 CO -0.13 -0.13 0.00 0.18 0.52 0.00 0.00 175.17 175.61 2hye n LEU 52 N 4.75 0.00 0.00 -1.34 7.99 -1.26 -4.65 117.00 122.49 2hye n LEU 52 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 2hye n LEU 52 Cb 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 2hye n LEU 52 CO -0.10 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.78 2hye n ILE 54 N 0.00 0.00 -0.25 0.00 5.41 -1.26 -4.16 119.36 119.10 2hye n ILE 54 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.80 2hye n ILE 54 Cb 0.00 -0.38 0.16 0.00 -0.71 0.00 0.00 39.64 38.72 2hye n ILE 54 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2hye h GLU 55 N 0.00 0.15 0.04 0.38 5.08 -1.97 0.11 114.58 118.36 2hye h GLU 55 Ca 0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2hye h GLU 55 Cb 0.00 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2hye h GLU 55 CO 0.00 0.10 -0.02 0.00 -1.00 0.00 0.00 179.01 178.09 2hye h GLN 57 N -0.94 0.00 -5.02 0.00 5.75 -1.60 -3.34 115.11 109.96 2hye h GLN 57 Ca -0.00 0.00 -0.67 0.00 -0.15 0.00 0.00 58.65 57.83 2hye h GLN 57 Cb 0.64 0.00 -0.35 0.00 1.07 0.00 0.00 27.48 28.84 2hye h GLN 57 CO 0.01 0.00 -0.84 0.00 -2.65 0.00 0.00 178.83 175.34 2hye s ALA 58 N -4.71 2.39 -1.02 3.38 0.00 -0.02 -4.98 121.76 116.80 2hye s ALA 58 Ca -0.04 -1.33 -0.24 0.00 0.00 0.00 0.00 51.96 50.36 2hye s ALA 58 Cb 0.20 -1.28 -0.06 0.00 0.00 0.00 0.00 23.12 21.98 2hye s ALA 58 CO 0.68 -0.52 1.93 -0.80 0.00 0.00 0.00 175.76 177.05 2hye s ASN 59 N 1.26 5.14 0.00 0.00 0.01 -1.26 -4.77 114.94 115.32 2hye s ASN 59 Ca 0.02 -1.08 0.00 0.00 -0.71 0.00 0.00 52.86 51.09 2hye s ASN 59 Cb -0.14 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.94 2hye s ASN 59 CO -0.11 -2.84 0.00 1.67 -1.51 0.00 0.00 177.10 174.31 2hye n GLN 60 N 8.63 0.00 0.00 -0.60 7.27 -1.26 -4.88 117.38 126.54 2hye n GLN 60 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.49 2hye n GLN 60 Cb 0.47 -0.22 0.00 0.00 2.41 0.00 0.00 30.24 32.90 2hye n GLN 60 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2hye n ALA 61 N -1.59 0.34 -3.70 1.69 0.00 -1.26 -5.02 120.51 110.97 2hye n ALA 61 Ca 0.00 -0.17 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 2hye n ALA 61 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2hye n ALA 61 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2hye s SER 62 N 0.00 4.90 -0.72 0.00 1.04 -1.26 -5.01 113.70 112.65 2hye s SER 62 Ca 0.00 -1.41 0.04 0.00 0.48 0.00 0.00 55.95 55.06 2hye s SER 62 Cb 0.00 -1.71 0.20 0.00 0.10 0.00 0.00 66.02 64.60 2hye s SER 62 CO 0.00 -0.29 0.61 0.00 0.98 0.00 0.00 173.24 174.53 2hye n ALA 63 N 4.59 3.65 -2.43 5.32 0.00 -1.26 -4.74 120.51 125.65 2hye n ALA 63 Ca -0.11 -4.61 0.04 0.00 0.00 0.00 0.00 53.44 48.76 2hye n ALA 63 Cb 0.43 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.81 2hye n ALA 63 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2hye n THR 64 N 1.72 0.14 0.07 0.00 5.66 -1.26 -4.89 114.28 115.72 2hye n THR 64 Ca 0.23 -1.11 0.04 0.00 -3.05 0.00 0.00 64.05 60.15 2hye n THR 64 Cb 0.37 0.91 0.22 0.00 -1.55 0.00 0.00 70.33 70.27 2hye n THR 64 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2hye n SER 65 N 0.38 0.21 0.06 1.09 3.41 -1.26 -1.16 113.62 116.35 2hye n SER 65 Ca 0.07 0.55 -0.06 0.00 -0.26 0.00 0.00 58.87 59.16 2hye n SER 65 Cb 1.11 -0.56 0.11 0.00 -0.26 0.00 0.00 64.21 64.61 2hye n SER 65 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2hye h GLU 66 N 0.00 0.32 -1.49 4.33 4.39 -2.01 -3.19 114.58 116.93 2hye h GLU 66 Ca 0.00 -0.21 -0.44 0.00 0.34 0.00 0.00 59.36 59.05 2hye h GLU 66 Cb 0.16 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 28.66 2hye h GLU 66 CO 0.00 0.81 0.53 -1.91 -1.16 0.00 0.00 179.01 177.28 2hye n GLU 67 N -3.91 2.10 -3.79 2.33 2.13 -0.31 -4.87 120.64 114.32 2hye n GLU 67 Ca -0.03 -2.10 -0.36 0.00 0.66 0.00 0.00 57.16 55.34 2hye n GLU 67 Cb 0.60 -1.85 -0.12 0.00 0.27 0.00 0.00 31.44 30.35 2hye n GLU 67 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2hye n THR 69 N 4.44 0.00 -3.62 0.00 -2.24 -1.26 -4.89 114.28 106.71 2hye n THR 69 Ca -0.01 -1.17 -0.35 0.00 -2.27 0.00 0.00 64.05 60.25 2hye n THR 69 Cb 0.41 0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 69.06 2hye n THR 69 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2hye s VAL 70 N -2.42 5.15 -0.02 2.28 1.01 -1.26 0.15 120.40 125.29 2hye s VAL 70 Ca 0.13 0.39 0.06 0.00 0.00 0.00 0.00 61.98 62.56 2hye s VAL 70 Cb 0.01 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2hye s VAL 70 CO 0.10 0.32 -0.19 0.00 0.00 0.00 0.00 175.10 175.32 2hye s ALA 71 N -1.36 1.60 0.10 5.51 0.00 0.19 -0.66 121.76 127.13 2hye s ALA 71 Ca 0.31 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.51 2hye s ALA 71 Cb -0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2hye s ALA 71 CO 0.17 0.39 -0.08 -1.58 0.00 0.00 0.00 175.76 174.67 2hye s TRP 72 N -0.43 2.80 0.39 0.00 0.52 0.14 -1.08 118.94 121.28 2hye s TRP 72 Ca 0.07 -0.12 0.04 0.00 0.02 0.00 0.00 56.10 56.10 2hye s TRP 72 Cb -0.08 -1.46 0.04 0.00 -1.15 0.00 0.00 33.47 30.82 2hye s TRP 72 CO -0.01 0.44 0.32 0.41 0.02 0.00 0.00 176.95 178.13 2hye n GLY 73 N 0.68 2.75 0.16 0.98 0.00 -1.16 -3.03 105.19 105.57 2hye n GLY 73 Ca -0.13 -2.26 -0.01 0.00 0.00 0.00 0.00 46.02 43.63 2hye n GLY 73 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hye h VAL 74 N 0.57 1.39 0.00 1.61 2.07 -1.91 -2.00 116.25 117.98 2hye h VAL 74 Ca -0.24 -1.87 0.00 0.00 0.82 0.00 0.00 66.70 65.41 2hye h VAL 74 Cb 0.91 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2hye h VAL 74 CO 0.38 0.54 0.00 0.00 0.02 0.00 0.00 177.57 178.51 2hye n ASN 76 N -2.57 -0.13 -4.82 0.00 5.15 -0.75 -5.04 115.26 107.10 2hye n ASN 76 Ca 0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 2hye n ASN 76 Cb 0.19 -0.02 -0.06 0.00 -0.53 0.00 0.00 39.78 39.35 2hye n ASN 76 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2hye s HIS 77 N -3.64 3.57 0.33 1.20 3.76 -1.26 -4.59 115.29 114.65 2hye s HIS 77 Ca 0.00 1.36 0.08 0.00 -0.15 0.00 0.00 55.06 56.35 2hye s HIS 77 Cb 0.00 -2.61 -0.03 0.00 1.11 0.00 0.00 32.58 31.04 2hye s HIS 77 CO 0.00 0.25 0.21 0.00 -0.85 0.00 0.00 174.74 174.35 2hye s ALA 78 N -1.67 3.65 0.27 -1.40 0.00 -1.26 -3.01 121.76 118.34 2hye s ALA 78 Ca 0.47 -1.71 -0.18 0.00 0.00 0.00 0.00 51.96 50.54 2hye s ALA 78 Cb -0.15 -0.97 0.01 0.00 0.00 0.00 0.00 23.12 22.01 2hye s ALA 78 CO 0.20 0.04 0.63 -0.06 0.00 0.00 0.00 175.76 176.57 2hye s PHE 79 N -2.35 0.03 0.29 0.00 0.40 -0.24 -4.76 117.98 111.34 2hye s PHE 79 Ca 0.39 -0.45 -0.29 0.00 -0.60 0.00 0.00 56.93 55.98 2hye s PHE 79 Cb -0.04 0.51 -0.10 0.00 0.51 0.00 0.00 43.02 43.89 2hye s PHE 79 CO 0.25 -1.14 1.31 -1.01 0.70 0.00 0.00 175.22 175.32 2hye s HIS 80 N -3.96 3.13 0.45 0.36 3.76 -1.25 0.55 115.29 118.33 2hye s HIS 80 Ca 0.15 1.36 0.22 0.00 -0.15 0.00 0.00 55.06 56.64 2hye s HIS 80 Cb -0.04 -3.65 1.20 0.00 1.11 0.00 0.00 32.58 31.21 2hye s HIS 80 CO 0.08 -1.85 1.85 0.35 -0.85 0.00 0.00 174.74 174.32 2hye h PHE 81 N 3.97 0.40 0.00 1.40 3.04 0.11 -2.98 116.94 122.88 2hye h PHE 81 Ca -0.48 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.49 2hye h PHE 81 Cb 1.22 -0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.61 2hye h PHE 81 CO 0.58 0.09 0.00 0.72 -2.02 0.00 0.00 178.31 177.68 2hye n HIS 82 N -4.46 0.00 -1.65 0.41 8.25 -1.26 -2.50 115.22 114.01 2hye n HIS 82 Ca 0.20 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.50 2hye n HIS 82 Cb 0.80 -0.37 -0.09 0.00 1.12 0.00 0.00 29.99 31.46 2hye n HIS 82 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hye n ILE 84 N 8.79 0.00 0.25 0.00 0.00 -1.25 -3.93 119.36 123.22 2hye n ILE 84 Ca 0.44 0.00 0.14 0.00 0.00 0.00 0.00 62.75 63.32 2hye n ILE 84 Cb 0.45 0.00 0.53 0.00 0.00 0.00 0.00 39.64 40.62 2hye n ILE 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2hye h SER 85 N 0.12 0.00 0.07 9.51 0.02 -0.85 -2.83 113.55 119.60 2hye h SER 85 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2hye h SER 85 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2hye h SER 85 CO 0.00 0.10 -0.03 -0.09 -1.14 0.00 0.00 176.83 175.66 2hye h ARG 86 N 0.00 -0.09 0.00 3.45 2.43 -1.83 -3.22 114.38 115.12 2hye h ARG 86 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2hye h ARG 86 Cb 0.67 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2hye h ARG 86 CO 0.01 0.42 0.00 1.87 -1.51 0.00 0.00 179.97 180.77 2hye n TRP 87 N -4.79 0.00 -0.06 2.20 -0.00 -1.08 -1.68 117.44 112.02 2hye n TRP 87 Ca -0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.38 2hye n TRP 87 Cb 0.28 0.00 -0.11 0.00 -0.00 0.00 0.00 31.31 31.47 2hye n TRP 87 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2hye n LEU 88 N -0.67 0.00 0.19 5.87 4.77 -1.15 -3.81 117.00 122.20 2hye n LEU 88 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 2hye n LEU 88 Cb 0.00 0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 2hye n LEU 88 CO 0.00 0.31 0.67 0.11 -1.33 0.00 0.00 177.39 177.15 2hye h LYS 89 N 0.00 -0.59 0.00 3.23 1.57 -1.45 -3.35 116.57 115.98 2hye h LYS 89 Ca -0.34 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.48 2hye h LYS 89 Cb 1.72 0.13 0.00 0.00 0.08 0.00 0.00 32.23 34.17 2hye h LYS 89 CO 0.02 -0.39 0.00 0.25 -0.57 0.00 0.00 179.45 178.76 2hye n THR 90 N -5.41 0.00 -0.83 -0.16 -2.24 -1.26 -4.94 114.28 99.44 2hye n THR 90 Ca -0.09 0.47 0.00 0.00 -2.27 0.00 0.00 64.05 62.17 2hye n THR 90 Cb 0.32 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 2hye n THR 90 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2hye n ARG 91 N -0.13 1.99 -2.54 -0.78 0.63 -1.25 -5.08 116.66 109.49 2hye n ARG 91 Ca 0.00 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.90 2hye n ARG 91 Cb 0.00 0.00 0.11 0.00 0.45 0.00 0.00 32.46 33.02 2hye n ARG 91 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hye n GLN 92 N 0.00 1.15 -3.57 -0.14 10.64 -1.26 -4.30 117.38 119.90 2hye n GLN 92 Ca 0.00 -1.16 -0.13 0.00 -1.83 0.00 0.00 57.00 53.88 2hye n GLN 92 Cb 0.00 0.29 -0.12 0.00 -0.86 0.00 0.00 30.24 29.55 2hye n GLN 92 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2hye s VAL 93 N 0.12 -0.47 0.00 -0.39 -7.23 -1.26 -3.12 120.40 108.05 2hye s VAL 93 Ca 0.10 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.39 2hye s VAL 93 Cb 0.38 -0.60 0.00 0.00 0.56 0.00 0.00 36.38 36.72 2hye s VAL 93 CO -0.11 -0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.68 2hye n PRO 95 N 0.00 1.14 0.00 0.00 -0.04 -1.26 0.08 135.00 134.92 2hye n PRO 95 Ca 0.00 -0.85 0.00 0.00 -0.04 0.00 0.00 63.50 62.61 2hye n PRO 95 Cb 0.00 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 2hye n PRO 95 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2hye n LEU 96 N 3.89 0.00 0.00 1.53 4.77 -1.26 -5.05 117.00 120.88 2hye n LEU 96 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 2hye n LEU 96 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2hye n LEU 96 CO 0.48 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 177.01 2hye n ASP 97 N -0.03 0.50 0.00 -1.43 8.00 0.11 -5.02 116.55 118.68 2hye n ASP 97 Ca 0.00 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.52 2hye n ASP 97 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2hye n ASP 97 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2hye n ASN 98 N -2.46 2.92 -4.52 -2.24 5.03 -1.25 -4.59 115.26 108.14 2hye n ASN 98 Ca 0.00 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 2hye n ASN 98 Cb 0.00 0.55 -0.06 0.00 -1.02 0.00 0.00 39.78 39.26 2hye n ASN 98 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2hye n ARG 99 N -0.92 1.06 -1.68 3.52 3.00 -1.26 -4.68 116.66 115.70 2hye n ARG 99 Ca 0.00 0.17 -0.59 0.00 -0.01 0.00 0.00 57.85 57.41 2hye n ARG 99 Cb 0.03 -2.88 -0.08 0.00 0.00 0.00 0.00 32.46 29.53 2hye n ARG 99 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2hye n GLU 100 N 8.69 0.76 -0.87 5.56 0.00 -1.26 -3.25 120.64 130.27 2hye n GLU 100 Ca 0.41 0.28 -0.34 0.00 0.00 0.00 0.00 57.16 57.51 2hye n GLU 100 Cb 0.37 -1.89 0.09 0.00 0.00 0.00 0.00 31.44 30.01 2hye n GLU 100 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.13 179.00 2hye n TRP 101 N 4.18 -2.83 -0.19 -1.84 -0.00 -1.18 -4.79 117.44 110.80 2hye n TRP 101 Ca 0.26 0.15 0.00 0.00 -0.00 0.00 0.00 57.50 57.91 2hye n TRP 101 Cb 0.09 -1.61 0.00 0.00 -0.00 0.00 0.00 31.31 29.79 2hye n TRP 101 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 177.69 175.78 2hye n GLU 102 N 0.05 0.00 -0.37 5.87 2.13 -1.26 -4.94 120.64 122.12 2hye n GLU 102 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 2hye n GLU 102 Cb 0.56 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.27 2hye n GLU 102 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 2hye n PHE 103 N 0.00 0.00 0.00 4.31 0.99 -1.26 -4.92 117.46 116.58 2hye n PHE 103 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2hye n PHE 103 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 2hye n PHE 103 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2hye n GLN 104 N -2.29 0.00 0.00 -1.08 6.02 -1.17 -4.67 117.38 114.19 2hye n GLN 104 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2hye n GLN 104 Cb 0.00 -0.78 0.00 0.00 1.02 0.00 0.00 30.24 30.48 2hye n GLN 104 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2hye n LYS 105 N 0.59 0.00 -4.23 -1.09 4.81 -1.24 -4.91 118.16 112.09 2hye n LYS 105 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 2hye n LYS 105 Cb 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 34.96 2hye n LYS 105 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2hye s TYR 106 N 0.00 2.91 0.00 5.64 1.51 -1.26 -0.68 117.35 125.47 2hye s TYR 106 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 57.07 56.01 2hye s TYR 106 Cb 0.00 -1.54 0.00 0.00 -0.11 0.00 0.00 41.96 40.31 2hye s TYR 106 CO 0.00 0.44 0.00 0.41 -1.11 0.00 0.00 175.55 175.29 2hye n GLY 107 N 0.87 3.41 0.00 0.71 0.00 0.16 -4.99 105.19 105.35 2hye n GLY 107 Ca -0.13 -1.54 0.05 0.00 0.00 0.00 0.00 46.02 44.41 2hye n GLY 107 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89