#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhb s ILE 2 N 0.00 4.26 -0.20 3.17 1.01 -1.26 -5.03 121.20 123.14 1yhb s ILE 2 Ca 0.00 1.95 -0.18 0.00 0.00 0.00 0.00 60.65 62.43 1yhb s ILE 2 Cb 0.00 -4.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.17 1yhb s ILE 2 CO 0.00 0.47 0.49 -0.75 0.00 0.00 0.00 174.94 175.15 1yhb s LYS 3 N -0.93 4.18 -0.00 2.79 2.20 -1.26 -4.02 119.74 122.70 1yhb s LYS 3 Ca 0.40 0.36 0.08 0.00 -0.36 0.00 0.00 55.97 56.46 1yhb s LYS 3 Cb -0.24 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 1yhb s LYS 3 CO 0.30 -0.14 -0.26 0.08 -0.36 0.00 0.00 175.35 174.97 1yhb s VAL 4 N 1.61 2.04 -0.05 4.02 1.01 0.14 -1.72 120.40 127.45 1yhb s VAL 4 Ca 0.23 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1yhb s VAL 4 Cb -0.15 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1yhb s VAL 4 CO 0.09 0.52 -0.05 -0.70 0.00 0.00 0.00 175.10 174.96 1yhb s GLU 5 N -0.76 0.98 -0.39 2.72 2.12 0.33 -0.75 118.70 122.94 1yhb s GLU 5 Ca 0.10 -0.14 -0.17 0.00 0.36 0.00 0.00 54.97 55.13 1yhb s GLU 5 Cb -0.10 -0.99 0.01 0.00 0.26 0.00 0.00 34.13 33.31 1yhb s GLU 5 CO -0.00 -0.10 0.43 0.42 -0.54 0.00 0.00 175.26 175.47 1yhb s ILE 6 N 1.05 5.09 0.78 -3.70 -1.09 -0.38 -0.68 121.20 122.27 1yhb s ILE 6 Ca -0.09 -0.12 -0.11 0.00 -2.23 0.00 0.00 60.65 58.10 1yhb s ILE 6 Cb -0.14 -3.97 0.06 0.00 -1.58 0.00 0.00 42.46 36.83 1yhb s ILE 6 CO -0.01 -0.30 1.08 -0.54 -1.23 0.00 0.00 174.94 173.95 1yhb s LYS 7 N 2.15 2.19 0.61 2.79 -0.14 -1.26 -1.52 119.74 124.56 1yhb s LYS 7 Ca 0.13 0.87 0.38 0.00 -1.36 0.00 0.00 55.97 55.99 1yhb s LYS 7 Cb -0.17 -1.91 1.96 0.00 -1.68 0.00 0.00 37.83 36.04 1yhb s LYS 7 CO 0.13 -1.60 2.22 -1.35 -0.76 0.00 0.00 175.35 173.99 1yhb h PRO 8 N -1.08 0.00 -0.01 -1.68 0.11 -1.98 0.29 132.00 127.66 1yhb h PRO 8 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1yhb h PRO 8 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1yhb h PRO 8 CO 0.56 0.02 -0.04 -1.13 -0.21 0.00 0.00 178.00 177.20 1yhb n SER 9 N -3.24 0.54 -0.61 -2.05 3.41 -1.26 -3.81 113.62 106.60 1yhb n SER 9 Ca -0.02 -0.95 0.07 0.00 -0.26 0.00 0.00 58.87 57.71 1yhb n SER 9 Cb 0.16 -0.03 0.09 0.00 -0.26 0.00 0.00 64.21 64.16 1yhb n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yhb n GLN 10 N -0.70 1.37 0.07 4.33 6.02 0.09 -4.77 117.38 123.79 1yhb n GLN 10 Ca 0.19 -1.53 0.03 0.00 -0.01 0.00 0.00 57.00 55.69 1yhb n GLN 10 Cb 0.23 -1.28 0.17 0.00 1.02 0.00 0.00 30.24 30.38 1yhb n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yhb n ALA 11 N 0.78 0.69 -2.50 -1.58 0.00 -1.23 -4.63 120.51 112.03 1yhb n ALA 11 Ca 0.10 0.06 -0.24 0.00 0.00 0.00 0.00 53.44 53.35 1yhb n ALA 11 Cb 0.38 -0.77 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 1yhb n ALA 11 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1yhb s GLN 12 N -2.97 1.73 0.44 0.00 -1.52 -1.26 -4.72 119.66 111.35 1yhb s GLN 12 Ca -0.01 -1.92 0.07 0.00 -1.95 0.00 0.00 55.36 51.55 1yhb s GLN 12 Cb 0.02 -1.34 -0.04 0.00 -0.22 0.00 0.00 33.01 31.42 1yhb s GLN 12 CO 0.06 -0.00 0.18 -0.59 -0.25 0.00 0.00 175.29 174.68 1yhb s PHE 13 N -2.90 2.43 0.20 0.91 -0.12 -1.26 -4.64 117.98 112.60 1yhb s PHE 13 Ca 0.33 -0.65 0.10 0.00 -0.05 0.00 0.00 56.93 56.65 1yhb s PHE 13 Cb 0.06 -1.92 -0.04 0.00 -0.63 0.00 0.00 43.02 40.49 1yhb s PHE 13 CO 0.15 0.13 -0.20 0.95 -0.05 0.00 0.00 175.22 176.21 1yhb s THR 14 N -2.65 2.06 -0.06 -4.49 -4.23 -0.64 -4.93 115.64 100.71 1yhb s THR 14 Ca 0.37 -2.07 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 1yhb s THR 14 Cb 0.03 -2.02 -0.01 0.00 1.34 0.00 0.00 72.50 71.84 1yhb s THR 14 CO 0.20 -0.31 -0.25 -0.89 -0.54 0.00 0.00 174.62 172.83 1yhb s THR 15 N -2.14 2.04 -0.04 3.99 2.01 -1.26 -0.67 115.64 119.57 1yhb s THR 15 Ca 0.20 -1.06 0.07 0.00 0.31 0.00 0.00 61.69 61.21 1yhb s THR 15 Cb -0.06 -1.73 -0.02 0.00 0.01 0.00 0.00 72.50 70.71 1yhb s THR 15 CO 0.09 0.57 -0.25 -0.60 -0.69 0.00 0.00 174.62 173.74 1yhb s ARG 16 N -0.16 2.32 0.31 4.92 3.52 0.63 -4.95 118.95 125.55 1yhb s ARG 16 Ca -0.04 -0.91 0.05 0.00 -0.13 0.00 0.00 55.73 54.71 1yhb s ARG 16 Cb -0.14 -2.11 -0.02 0.00 -1.56 0.00 0.00 34.95 31.12 1yhb s ARG 16 CO 0.04 0.48 0.19 -1.13 -0.81 0.00 0.00 175.30 174.07 1yhb n SER 17 N 2.66 0.15 0.00 -2.12 3.41 -1.26 0.36 113.62 116.81 1yhb n SER 17 Ca -0.17 -2.89 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 1yhb n SER 17 Cb 0.51 1.21 0.00 0.00 -0.26 0.00 0.00 64.21 65.68 1yhb n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yhb n GLY 18 N -0.49 -1.13 2.83 5.00 0.00 -0.47 -4.96 105.19 105.98 1yhb n GLY 18 Ca 0.02 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 1yhb n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yhb s VAL 19 N -3.00 0.79 0.71 1.61 1.01 -1.26 0.05 120.40 120.31 1yhb s VAL 19 Ca 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 1yhb s VAL 19 Cb 0.00 -0.99 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1yhb s VAL 19 CO 0.00 0.16 0.43 -1.54 0.00 0.00 0.00 175.10 174.14 1yhb n SER 20 N 4.99 -1.56 -0.22 3.32 3.41 0.37 -4.80 113.62 119.13 1yhb n SER 20 Ca -0.10 0.59 0.03 0.00 -0.26 0.00 0.00 58.87 59.13 1yhb n SER 20 Cb 0.49 -1.17 0.14 0.00 -0.26 0.00 0.00 64.21 63.40 1yhb n SER 20 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1yhb h ARG 21 N -0.33 0.19 -3.97 4.33 -0.00 -2.01 -2.12 114.38 110.46 1yhb h ARG 21 Ca -0.45 -0.01 -0.76 0.00 -0.00 0.00 0.00 59.98 58.75 1yhb h ARG 21 Cb 1.36 -0.04 -0.20 0.00 -0.00 0.00 0.00 29.97 31.08 1yhb h ARG 21 CO 0.42 0.12 1.29 0.94 -0.00 0.00 0.00 179.97 182.75 1yhb n GLN 22 N -5.21 3.61 -0.49 0.08 0.00 -1.26 -4.81 117.38 109.29 1yhb n GLN 22 Ca 0.11 -3.97 0.00 0.00 -0.00 0.00 0.00 57.00 53.14 1yhb n GLN 22 Cb 0.40 -2.85 0.00 0.00 0.00 0.00 0.00 30.24 27.78 1yhb n GLN 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1yhb n GLY 23 N 3.14 0.00 3.67 1.69 0.00 -0.82 -4.94 105.19 107.93 1yhb n GLY 23 Ca 0.34 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.01 1yhb n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yhb s LYS 24 N -0.98 3.98 1.06 1.61 -0.14 -1.08 -4.77 119.74 119.42 1yhb s LYS 24 Ca 0.00 -0.31 -0.12 0.00 -1.36 0.00 0.00 55.97 54.18 1yhb s LYS 24 Cb 0.00 -3.25 0.22 0.00 -1.68 0.00 0.00 37.83 33.12 1yhb s LYS 24 CO 0.00 0.31 1.07 -2.14 -0.76 0.00 0.00 175.35 173.83 1yhb s PRO 25 N 0.28 -0.08 0.09 -1.68 0.02 -1.26 0.14 135.00 132.50 1yhb s PRO 25 Ca 0.05 0.88 -0.24 0.00 0.02 0.00 0.00 61.00 61.71 1yhb s PRO 25 Cb -0.12 -1.65 0.06 0.00 0.02 0.00 0.00 34.50 32.81 1yhb s PRO 25 CO -0.00 -3.17 0.58 1.52 -0.33 0.00 0.00 177.00 175.60 1yhb s TYR 26 N -2.65 -0.51 -0.15 6.54 -0.85 0.11 -4.70 117.35 115.14 1yhb s TYR 26 Ca 0.67 0.48 -0.04 0.00 -0.52 0.00 0.00 57.07 57.66 1yhb s TYR 26 Cb -0.22 0.45 0.07 0.00 0.38 0.00 0.00 41.96 42.64 1yhb s TYR 26 CO 0.61 -0.74 0.25 0.45 -1.52 0.00 0.00 175.55 174.60 1yhb s SER 27 N -2.27 0.67 -0.18 -0.18 0.15 -1.26 -1.36 113.70 109.26 1yhb s SER 27 Ca -0.03 0.32 -0.07 0.00 0.70 0.00 0.00 55.95 56.88 1yhb s SER 27 Cb -0.00 0.59 -0.04 0.00 -1.71 0.00 0.00 66.02 64.86 1yhb s SER 27 CO -0.06 -0.27 0.05 -0.76 1.20 0.00 0.00 173.24 173.41 1yhb s LEU 28 N 2.39 3.72 -0.21 3.45 1.43 0.16 -4.93 118.68 124.69 1yhb s LEU 28 Ca 0.04 0.04 -0.14 0.00 -1.03 0.00 0.00 54.13 53.03 1yhb s LEU 28 Cb -0.13 -1.94 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 1yhb s LEU 28 CO -0.10 0.16 0.32 0.20 0.23 0.00 0.00 176.35 177.16 1yhb s ASN 29 N 0.46 6.34 -0.09 2.29 0.02 -1.26 -0.27 114.94 122.43 1yhb s ASN 29 Ca 0.02 0.40 0.03 0.00 -1.02 0.00 0.00 52.86 52.29 1yhb s ASN 29 Cb -0.13 -2.19 -0.01 0.00 0.02 0.00 0.00 41.25 38.95 1yhb s ASN 29 CO 0.01 -0.01 -0.21 -1.61 0.02 0.00 0.00 177.10 175.30 1yhb s GLU 30 N 1.13 2.98 0.16 -0.60 2.02 0.15 -0.67 118.70 123.88 1yhb s GLU 30 Ca 0.15 -0.82 0.10 0.00 0.02 0.00 0.00 54.97 54.42 1yhb s GLU 30 Cb -0.14 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.69 1yhb s GLU 30 CO 0.06 0.27 -0.22 -1.14 0.02 0.00 0.00 175.26 174.25 1yhb s GLN 31 N 0.15 1.36 0.09 1.61 0.74 0.08 -1.61 119.66 122.08 1yhb s GLN 31 Ca -0.11 -1.41 0.02 0.00 0.05 0.00 0.00 55.36 53.91 1yhb s GLN 31 Cb -0.16 -1.60 -0.04 0.00 1.10 0.00 0.00 33.01 32.31 1yhb s GLN 31 CO 0.06 0.35 0.18 -0.51 -0.55 0.00 0.00 175.29 174.82 1yhb s LEU 32 N -2.49 4.16 0.00 3.68 1.43 -1.26 -0.49 118.68 123.71 1yhb s LEU 32 Ca 0.16 0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.37 1yhb s LEU 32 Cb -0.08 -2.78 0.01 0.00 0.03 0.00 0.00 46.19 43.38 1yhb s LEU 32 CO 0.07 0.14 0.51 0.00 0.23 0.00 0.00 176.35 177.30 1yhb s TYR 34 N -2.92 2.90 -0.20 0.00 2.02 0.14 -1.88 117.35 117.40 1yhb s TYR 34 Ca 0.26 -1.71 -0.06 0.00 -0.37 0.00 0.00 57.07 55.18 1yhb s TYR 34 Cb -0.01 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 1yhb s TYR 34 CO 0.19 -0.80 0.04 0.08 -1.57 0.00 0.00 175.55 173.49 1yhb s VAL 35 N 1.27 4.39 -0.44 0.71 1.01 0.19 -0.52 120.40 127.01 1yhb s VAL 35 Ca 0.02 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1yhb s VAL 35 Cb -0.15 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1yhb s VAL 35 CO -0.10 0.42 1.16 -0.62 0.00 0.00 0.00 175.10 175.96 1yhb s ASP 36 N 0.84 6.66 -0.29 3.32 2.15 -0.70 -0.36 116.67 128.28 1yhb s ASP 36 Ca 0.02 0.63 0.11 0.00 0.43 0.00 0.00 52.55 53.74 1yhb s ASP 36 Cb -0.14 -2.55 0.61 0.00 -0.30 0.00 0.00 42.92 40.55 1yhb s ASP 36 CO 0.02 -1.20 1.63 0.18 -0.17 0.00 0.00 175.17 175.63 1yhb n LEU 37 N 7.75 5.05 0.00 -1.34 4.77 -1.26 -4.47 117.00 127.50 1yhb n LEU 37 Ca 0.12 -3.39 0.00 0.00 -0.03 0.00 0.00 56.01 52.72 1yhb n LEU 37 Cb 0.48 -0.68 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1yhb n LEU 37 CO 0.69 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 178.30 1yhb n GLY 38 N -0.65 2.72 3.57 -0.72 0.00 -1.26 -5.03 105.19 103.82 1yhb n GLY 38 Ca 0.36 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.08 1yhb n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yhb s ASN 39 N -3.85 0.76 0.45 1.61 0.01 -1.26 -4.94 114.94 107.72 1yhb s ASN 39 Ca 0.00 0.63 0.16 0.00 -0.71 0.00 0.00 52.86 52.94 1yhb s ASN 39 Cb 0.00 -0.87 1.10 0.00 0.41 0.00 0.00 41.25 41.89 1yhb s ASN 39 CO 0.00 -4.22 1.98 -0.33 -1.51 0.00 0.00 177.10 173.02 1yhb h GLU 40 N -2.65 0.32 -5.04 -0.60 5.08 -2.03 -3.42 114.58 106.24 1yhb h GLU 40 Ca -0.45 -0.02 -0.36 0.00 -1.00 0.00 0.00 59.36 57.54 1yhb h GLU 40 Cb 1.29 -0.07 -0.21 0.00 0.50 0.00 0.00 28.75 30.26 1yhb h GLU 40 CO 0.33 0.21 -0.76 -0.06 -1.00 0.00 0.00 179.01 177.73 1yhb s PHE 41 N -5.32 1.01 0.54 4.33 0.08 -1.26 -5.14 117.98 112.21 1yhb s PHE 41 Ca -0.07 -0.49 -0.22 0.00 0.12 0.00 0.00 56.93 56.27 1yhb s PHE 41 Cb 0.20 -0.58 -0.05 0.00 -0.57 0.00 0.00 43.02 42.01 1yhb s PHE 41 CO 0.74 0.00 1.36 -2.30 -0.10 0.00 0.00 175.22 174.92 1yhb n PRO 42 N 1.28 1.74 -3.56 0.24 -0.02 -1.26 -4.71 135.00 128.71 1yhb n PRO 42 Ca -0.21 0.64 -0.37 0.00 -2.02 0.00 0.00 63.50 61.53 1yhb n PRO 42 Cb 0.55 -2.57 -0.06 0.00 -0.02 0.00 0.00 33.50 31.40 1yhb n PRO 42 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1yhb s VAL 43 N -1.28 5.10 -0.10 -1.45 0.11 0.51 -4.83 120.40 118.46 1yhb s VAL 43 Ca 0.70 0.70 -0.30 0.00 -2.93 0.00 0.00 61.98 60.16 1yhb s VAL 43 Cb -0.42 -3.66 -0.03 0.00 -1.53 0.00 0.00 36.38 30.74 1yhb s VAL 43 CO 0.50 0.54 1.31 -0.22 -3.33 0.00 0.00 175.10 173.90 1yhb s LEU 44 N -1.19 4.24 -0.01 2.54 2.96 -1.26 -0.64 118.68 125.31 1yhb s LEU 44 Ca 0.24 1.84 0.07 0.00 -0.22 0.00 0.00 54.13 56.06 1yhb s LEU 44 Cb -0.16 -3.55 -0.02 0.00 0.50 0.00 0.00 46.19 42.97 1yhb s LEU 44 CO 0.13 -0.73 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.50 1yhb s VAL 45 N 3.10 1.87 -0.10 1.68 1.01 -0.79 -4.97 120.40 122.19 1yhb s VAL 45 Ca 0.58 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 1yhb s VAL 45 Cb -0.25 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1yhb s VAL 45 CO 0.20 0.51 0.40 -0.75 0.00 0.00 0.00 175.10 175.45 1yhb s LYS 46 N -0.60 4.19 -0.12 2.72 2.20 -1.26 -1.81 119.74 125.05 1yhb s LYS 46 Ca 0.09 0.33 0.03 0.00 -0.36 0.00 0.00 55.97 56.06 1yhb s LYS 46 Cb -0.09 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 1yhb s LYS 46 CO -0.01 0.34 -0.22 0.96 -0.36 0.00 0.00 175.35 176.06 1yhb s ILE 47 N 0.09 2.14 -0.21 5.43 -4.36 0.35 -4.99 121.20 119.64 1yhb s ILE 47 Ca 0.22 -0.97 -0.29 0.00 -0.26 0.00 0.00 60.65 59.36 1yhb s ILE 47 Cb -0.15 -1.84 0.01 0.00 1.25 0.00 0.00 42.46 41.73 1yhb s ILE 47 CO 0.09 0.55 1.01 -0.89 0.24 0.00 0.00 174.94 175.94 1yhb s THR 48 N 0.57 4.71 0.74 8.37 2.01 -1.26 -0.74 115.64 130.04 1yhb s THR 48 Ca -0.13 1.98 -0.12 0.00 0.31 0.00 0.00 61.69 63.73 1yhb s THR 48 Cb -0.17 -4.29 0.04 0.00 0.01 0.00 0.00 72.50 68.10 1yhb s THR 48 CO 0.04 -0.14 1.09 -0.76 -0.69 0.00 0.00 174.62 174.16 1yhb s LEU 49 N 2.99 3.12 0.51 4.42 1.02 0.16 -4.70 118.68 126.20 1yhb s LEU 49 Ca 0.43 1.86 -0.09 0.00 0.02 0.00 0.00 54.13 56.35 1yhb s LEU 49 Cb -0.15 -4.53 -0.05 0.00 0.02 0.00 0.00 46.19 41.48 1yhb s LEU 49 CO 0.08 -1.92 0.87 -1.81 0.02 0.00 0.00 176.35 173.59 1yhb s ASP 50 N -3.21 6.33 -0.15 2.29 1.01 -1.26 -4.63 116.67 117.04 1yhb s ASP 50 Ca 0.62 1.17 -0.34 0.00 0.71 0.00 0.00 52.55 54.71 1yhb s ASP 50 Cb -0.18 -2.35 -0.11 0.00 1.01 0.00 0.00 42.92 41.29 1yhb s ASP 50 CO 0.52 -0.64 1.94 1.21 0.21 0.00 0.00 175.17 178.42 1yhb n GLU 51 N -2.19 1.92 -0.68 8.23 0.00 -1.26 -1.14 120.64 125.52 1yhb n GLU 51 Ca 0.03 0.68 0.00 0.00 0.00 0.00 0.00 57.16 57.87 1yhb n GLU 51 Cb 0.54 -2.62 0.00 0.00 0.00 0.00 0.00 31.44 29.37 1yhb n GLU 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1yhb n GLY 52 N 4.79 0.81 3.73 8.31 0.00 -1.26 -5.03 105.19 116.53 1yhb n GLY 52 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 1yhb n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yhb s GLN 53 N -0.32 4.27 0.68 1.61 -0.21 -0.29 -5.09 119.66 120.32 1yhb s GLN 53 Ca 0.00 0.22 -0.11 0.00 0.02 0.00 0.00 55.36 55.50 1yhb s GLN 53 Cb 0.00 -3.42 -0.00 0.00 1.00 0.00 0.00 33.01 30.59 1yhb s GLN 53 CO 0.00 0.23 1.06 -1.25 -2.12 0.00 0.00 175.29 173.20 1yhb s PRO 54 N 0.46 3.07 0.54 2.91 0.04 -1.26 -4.72 135.00 136.04 1yhb s PRO 54 Ca 0.20 0.87 -0.21 0.00 0.04 0.00 0.00 61.00 61.89 1yhb s PRO 54 Cb -0.14 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1yhb s PRO 54 CO 0.06 -0.98 1.31 0.00 0.04 0.00 0.00 177.00 177.43 1yhb s ALA 55 N -3.10 2.80 0.19 8.56 0.00 -1.26 -4.94 121.76 124.01 1yhb s ALA 55 Ca 0.57 1.24 -0.30 0.00 0.00 0.00 0.00 51.96 53.47 1yhb s ALA 55 Cb -0.13 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.37 1yhb s ALA 55 CO 0.55 -1.26 1.36 0.71 0.00 0.00 0.00 175.76 177.12 1yhb s TYR 56 N -1.37 3.20 0.47 0.00 2.02 -1.26 -5.02 117.35 115.38 1yhb s TYR 56 Ca 0.71 1.10 -0.22 0.00 -0.37 0.00 0.00 57.07 58.29 1yhb s TYR 56 Cb -0.38 -3.68 -0.07 0.00 -0.40 0.00 0.00 41.96 37.43 1yhb s TYR 56 CO 0.44 -2.21 1.13 0.00 -1.57 0.00 0.00 175.55 173.34 1yhb s ALA 57 N 0.33 2.94 0.11 3.71 0.00 -1.26 -4.61 121.76 122.97 1yhb s ALA 57 Ca 0.59 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 1yhb s ALA 57 Cb -0.38 -3.35 -0.17 0.00 0.00 0.00 0.00 23.12 19.22 1yhb s ALA 57 CO 0.37 -0.58 0.68 -2.30 0.00 0.00 0.00 175.76 173.93 1yhb n PRO 58 N -0.58 0.00 -1.24 0.00 -0.02 -1.26 -4.78 135.00 127.11 1yhb n PRO 58 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1yhb n PRO 58 Cb 0.49 -1.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.87 1yhb n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1yhb n GLY 59 N 1.63 0.06 3.58 -1.23 0.00 -0.58 -4.96 105.19 103.70 1yhb n GLY 59 Ca 0.17 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 1yhb n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yhb s LEU 60 N 0.00 3.75 0.24 0.99 1.43 -1.26 -1.25 118.68 122.57 1yhb s LEU 60 Ca 0.00 -0.00 0.08 0.00 -1.03 0.00 0.00 54.13 53.18 1yhb s LEU 60 Cb 0.00 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1yhb s LEU 60 CO 0.00 0.09 -0.13 -0.31 0.23 0.00 0.00 176.35 176.24 1yhb s TYR 61 N 0.85 1.90 0.53 0.29 1.51 0.07 -2.09 117.35 120.41 1yhb s TYR 61 Ca 0.04 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1yhb s TYR 61 Cb -0.14 -0.93 0.01 0.00 -0.11 0.00 0.00 41.96 40.79 1yhb s TYR 61 CO 0.02 0.40 0.07 -0.08 -1.11 0.00 0.00 175.55 174.85 1yhb s THR 62 N -2.89 1.11 -0.12 -0.71 -1.32 -0.36 -0.68 115.64 110.67 1yhb s THR 62 Ca 0.26 -1.92 -0.21 0.00 -1.21 0.00 0.00 61.69 58.61 1yhb s THR 62 Cb -0.00 -2.03 -0.04 0.00 -1.51 0.00 0.00 72.50 68.92 1yhb s THR 62 CO 0.10 0.00 0.59 -0.69 -2.21 0.00 0.00 174.62 172.40 1yhb s VAL 63 N -2.89 5.11 0.29 5.08 1.01 -1.26 -2.13 120.40 125.61 1yhb s VAL 63 Ca 0.06 1.17 -0.28 0.00 0.00 0.00 0.00 61.98 62.94 1yhb s VAL 63 Cb -0.00 -3.92 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 1yhb s VAL 63 CO 0.04 0.26 0.95 -2.28 0.00 0.00 0.00 175.10 174.06 1yhb s HIS 64 N 0.95 3.80 0.41 5.22 5.04 -0.03 -4.84 115.29 125.84 1yhb s HIS 64 Ca 0.31 1.83 0.17 0.00 -1.54 0.00 0.00 55.06 55.82 1yhb s HIS 64 Cb -0.16 -2.96 1.05 0.00 0.04 0.00 0.00 32.58 30.55 1yhb s HIS 64 CO 0.13 0.28 1.84 1.25 -2.34 0.00 0.00 174.74 175.90 1yhb h LEU 65 N 3.54 0.45 0.00 8.88 5.85 -1.98 -0.88 115.31 131.18 1yhb h LEU 65 Ca -0.46 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1yhb h LEU 65 Cb 1.20 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1yhb h LEU 65 CO 0.66 0.17 0.00 -1.54 -0.34 0.00 0.00 178.44 177.39 1yhb n SER 66 N -4.54 0.00 0.11 1.25 3.41 -1.26 -2.35 113.62 110.24 1yhb n SER 66 Ca 0.20 -0.18 0.12 0.00 -0.26 0.00 0.00 58.87 58.75 1yhb n SER 66 Cb 0.71 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 65.12 1yhb n SER 66 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1yhb n SER 67 N -0.98 0.65 -4.66 4.04 7.64 -0.34 -4.71 113.62 115.26 1yhb n SER 67 Ca 0.04 0.63 -0.30 0.00 1.01 0.00 0.00 58.87 60.25 1yhb n SER 67 Cb 0.02 -0.78 -0.08 0.00 -1.01 0.00 0.00 64.21 62.35 1yhb n SER 67 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1yhb s PHE 68 N -3.24 2.93 0.14 1.43 0.08 -0.99 0.41 117.98 118.73 1yhb s PHE 68 Ca 0.06 -0.05 -0.13 0.00 0.12 0.00 0.00 56.93 56.93 1yhb s PHE 68 Cb 0.10 -1.52 0.02 0.00 -0.57 0.00 0.00 43.02 41.05 1yhb s PHE 68 CO 0.43 0.46 0.34 -1.59 -0.10 0.00 0.00 175.22 174.77 1yhb s LYS 69 N -2.24 1.08 -0.18 0.44 -2.85 -0.55 -4.81 119.74 110.63 1yhb s LYS 69 Ca 0.24 -0.89 -0.29 0.00 -1.00 0.00 0.00 55.97 54.03 1yhb s LYS 69 Cb -0.12 0.43 -0.00 0.00 -2.06 0.00 0.00 37.83 36.08 1yhb s LYS 69 CO 0.17 -0.41 1.15 0.08 0.10 0.00 0.00 175.35 176.44 1yhb s VAL 70 N -3.86 4.47 0.95 1.79 1.01 -1.26 -1.07 120.40 122.43 1yhb s VAL 70 Ca 0.07 1.77 -0.15 0.00 0.00 0.00 0.00 61.98 63.68 1yhb s VAL 70 Cb 0.02 -4.14 0.17 0.00 0.00 0.00 0.00 36.38 32.43 1yhb s VAL 70 CO -0.08 -0.14 1.20 -0.83 0.00 0.00 0.00 175.10 175.26 1yhb s GLY 71 N 1.58 1.65 0.07 4.51 0.00 0.79 -4.89 107.32 111.03 1yhb s GLY 71 Ca 0.50 -0.84 0.08 0.00 0.00 0.00 0.00 44.72 44.45 1yhb s GLY 71 CO 0.12 -0.18 1.24 0.61 0.00 0.00 0.00 173.10 174.88 1yhb n GLN 72 N -3.83 0.04 -0.58 2.90 10.64 -1.26 -1.19 117.38 124.10 1yhb n GLN 72 Ca 0.11 0.48 0.10 0.00 -1.83 0.00 0.00 57.00 55.86 1yhb n GLN 72 Cb 0.60 -1.61 0.36 0.00 -0.86 0.00 0.00 30.24 28.73 1yhb n GLN 72 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1yhb n PHE 73 N -1.68 1.41 -0.35 2.61 3.72 -1.26 -4.97 117.46 116.94 1yhb n PHE 73 Ca 0.00 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.81 1yhb n PHE 73 Cb 0.05 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 1yhb n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yhb n GLY 74 N 1.26 2.05 3.93 1.37 0.00 -0.33 -5.04 105.19 108.42 1yhb n GLY 74 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.03 1yhb n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yhb s SER 75 N -3.51 5.74 0.12 1.61 1.04 -1.26 -4.76 113.70 112.69 1yhb s SER 75 Ca 0.00 0.52 -0.30 0.00 0.48 0.00 0.00 55.95 56.65 1yhb s SER 75 Cb 0.00 -1.65 -0.07 0.00 0.10 0.00 0.00 66.02 64.40 1yhb s SER 75 CO 0.00 -0.86 1.20 -0.22 0.98 0.00 0.00 173.24 174.34 1yhb s LEU 76 N -4.77 4.41 0.09 2.42 2.96 -1.26 -0.15 118.68 122.38 1yhb s LEU 76 Ca 0.51 2.12 0.07 0.00 -0.22 0.00 0.00 54.13 56.61 1yhb s LEU 76 Cb -0.10 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1yhb s LEU 76 CO 0.42 -0.42 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.81 1yhb s MET 77 N 0.46 0.98 -0.13 1.98 -1.94 -0.23 -4.86 119.30 115.57 1yhb s MET 77 Ca 0.56 -1.09 -0.28 0.00 -1.71 0.00 0.00 55.69 53.17 1yhb s MET 77 Cb -0.31 -1.08 -0.01 0.00 2.01 0.00 0.00 34.83 35.44 1yhb s MET 77 CO 0.32 0.24 0.94 0.42 -0.01 0.00 0.00 175.02 176.93 1yhb s ILE 78 N -1.38 4.82 -0.02 2.53 1.01 -1.26 -1.49 121.20 125.41 1yhb s ILE 78 Ca 0.04 1.88 -0.00 0.00 0.00 0.00 0.00 60.65 62.56 1yhb s ILE 78 Cb -0.09 -4.24 -0.00 0.00 0.01 0.00 0.00 42.46 38.13 1yhb s ILE 78 CO 0.03 0.02 0.04 -0.78 0.00 0.00 0.00 174.94 174.25 1yhb h ASP 79 N 7.17 -0.01 -3.53 3.58 3.58 -0.36 -3.47 116.42 123.39 1yhb h ASP 79 Ca -0.30 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 56.94 1yhb h ASP 79 Cb 1.14 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.90 1yhb h ASP 79 CO 0.85 0.10 -0.52 -0.60 -2.88 0.00 0.00 179.24 176.19 1yhb s ARG 80 N -1.22 0.18 -0.70 0.28 6.06 -1.19 -5.06 118.95 117.31 1yhb s ARG 80 Ca -0.00 0.39 -0.27 0.00 -2.50 0.00 0.00 55.73 53.35 1yhb s ARG 80 Cb 0.00 -0.06 0.02 0.00 0.06 0.00 0.00 34.95 34.97 1yhb s ARG 80 CO 0.00 -0.12 1.40 -1.17 -2.50 0.00 0.00 175.30 172.92 1yhb s LEU 81 N 0.84 3.21 -0.20 -0.88 1.98 -1.26 -4.03 118.68 118.34 1yhb s LEU 81 Ca -0.06 -0.22 -0.10 0.00 -2.89 0.00 0.00 54.13 50.87 1yhb s LEU 81 Cb -0.08 -2.61 -0.05 0.00 0.66 0.00 0.00 46.19 44.11 1yhb s LEU 81 CO -0.05 -1.93 0.12 -0.13 -1.89 0.00 0.00 176.35 172.47 1yhb s ARG 82 N 5.96 4.15 0.02 1.98 0.52 -1.26 -4.86 118.95 125.46 1yhb s ARG 82 Ca 0.43 -0.24 0.05 0.00 -0.52 0.00 0.00 55.73 55.44 1yhb s ARG 82 Cb -0.09 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 1yhb s ARG 82 CO 0.17 0.28 -0.10 -0.51 0.02 0.00 0.00 175.30 175.16 1yhb s LEU 83 N 0.39 2.99 0.08 2.53 1.43 -1.26 -0.85 118.68 123.99 1yhb s LEU 83 Ca 0.07 -0.24 0.10 0.00 -1.03 0.00 0.00 54.13 53.03 1yhb s LEU 83 Cb -0.11 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1yhb s LEU 83 CO -0.01 0.27 -0.26 0.68 0.23 0.00 0.00 176.35 177.26 1yhb s VAL 84 N -0.98 2.24 0.42 -1.59 -7.23 -0.91 -4.82 120.40 107.53 1yhb s VAL 84 Ca 0.16 -1.53 -0.26 0.00 -1.81 0.00 0.00 61.98 58.55 1yhb s VAL 84 Cb -0.11 -1.93 -0.10 0.00 0.56 0.00 0.00 36.38 34.81 1yhb s VAL 84 CO 0.07 0.25 1.28 -0.81 -0.31 0.00 0.00 175.10 175.58 1yhb n PRO 85 N 1.39 1.97 -1.68 4.82 -0.04 -1.26 -1.22 135.00 138.98 1yhb n PRO 85 Ca -0.17 0.70 -0.31 0.00 -0.04 0.00 0.00 63.50 63.68 1yhb n PRO 85 Cb 0.52 -2.40 0.04 0.00 -0.04 0.00 0.00 33.50 31.63 1yhb n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1yhb s ALA 86 N -1.19 2.77 0.00 0.55 0.00 -0.89 -4.64 121.76 118.36 1yhb s ALA 86 Ca 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1yhb s ALA 86 Cb -0.51 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1yhb s ALA 86 CO 0.58 -1.13 0.00 0.36 0.00 0.00 0.00 175.76 175.58