#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhf n ALA 0 N 0.00 7.16 0.00 5.41 0.00 -1.26 -5.16 120.51 126.66 1yhf n ALA 0 Ca 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.70 1yhf n ALA 0 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 19.45 16.24 1yhf n ALA 0 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1yhf n SER 2 N 3.23 0.00 0.00 0.00 2.88 -1.26 -5.25 113.62 113.22 1yhf n SER 2 Ca 0.71 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.25 1yhf n SER 2 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1yhf n SER 2 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1yhf n TYR 3 N -0.30 0.00 -3.77 0.66 4.01 -1.26 -4.88 117.16 111.63 1yhf n TYR 3 Ca 0.00 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.37 1yhf n TYR 3 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 38.91 1yhf n TYR 3 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1yhf s ILE 4 N -1.95 3.66 0.36 -0.72 1.01 -1.26 -4.71 121.20 117.58 1yhf s ILE 4 Ca 0.00 -1.25 0.08 0.00 0.00 0.00 0.00 60.65 59.48 1yhf s ILE 4 Cb 0.00 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 1yhf s ILE 4 CO 0.00 -0.22 0.28 0.20 0.00 0.00 0.00 174.94 175.19 1yhf s ASN 5 N 1.46 5.09 -1.45 3.58 0.02 0.20 -4.69 114.94 119.15 1yhf s ASN 5 Ca -0.01 -0.62 0.00 0.00 -1.02 0.00 0.00 52.86 51.20 1yhf s ASN 5 Cb -0.20 -0.82 0.00 0.00 0.02 0.00 0.00 41.25 40.25 1yhf s ASN 5 CO 0.02 -0.41 0.00 0.59 0.02 0.00 0.00 177.10 177.31 1yhf n ASN 6 N -1.36 -4.82 -3.64 -1.22 5.03 -1.26 -4.12 115.26 103.86 1yhf n ASN 6 Ca -0.01 0.07 -0.12 0.00 0.87 0.00 0.00 54.58 55.39 1yhf n ASN 6 Cb 0.61 -3.90 -0.07 0.00 -1.02 0.00 0.00 39.78 35.39 1yhf n ASN 6 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1yhf s ILE 7 N -2.76 -0.00 0.41 2.41 2.07 -1.26 -4.88 121.20 117.19 1yhf s ILE 7 Ca 0.00 0.00 -0.26 0.00 -1.41 0.00 0.00 60.65 58.98 1yhf s ILE 7 Cb 0.00 -0.95 -0.09 0.00 0.13 0.00 0.00 42.46 41.55 1yhf s ILE 7 CO 0.00 0.00 1.30 -1.61 -1.91 0.00 0.00 174.94 172.73 1yhf s GLU 8 N 0.64 3.96 0.23 3.50 2.02 -1.26 -5.03 118.70 122.76 1yhf s GLU 8 Ca -0.02 2.16 0.02 0.00 0.02 0.00 0.00 54.97 57.14 1yhf s GLU 8 Cb -0.05 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 1yhf s GLU 8 CO -0.04 -0.50 0.40 -1.01 0.02 0.00 0.00 175.26 174.13 1yhf s HIS 9 N -1.26 3.48 -1.46 1.61 3.76 -1.26 -4.50 115.29 115.65 1yhf s HIS 9 Ca 0.57 0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 55.58 1yhf s HIS 9 Cb -0.38 -1.75 0.07 0.00 1.11 0.00 0.00 32.58 31.62 1yhf s HIS 9 CO 0.49 0.36 0.79 0.00 -0.85 0.00 0.00 174.74 175.53 1yhf n ALA 10 N -1.08 -1.16 -3.42 -1.40 0.00 -1.26 -4.97 120.51 107.22 1yhf n ALA 10 Ca -0.06 0.19 -0.14 0.00 0.00 0.00 0.00 53.44 53.43 1yhf n ALA 10 Cb 0.55 -3.95 -0.15 0.00 0.00 0.00 0.00 19.45 15.90 1yhf n ALA 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1yhf s LYS 11 N -6.28 0.01 -0.07 0.00 2.20 -1.26 -5.12 119.74 109.22 1yhf s LYS 11 Ca 0.53 0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 56.00 1yhf s LYS 11 Cb -0.26 -0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 35.89 1yhf s LYS 11 CO 0.65 -0.10 1.30 0.08 -0.36 0.00 0.00 175.35 176.92 1yhf s VAL 12 N 0.67 4.07 0.22 4.02 1.01 -1.26 -5.00 120.40 124.12 1yhf s VAL 12 Ca -0.05 1.38 0.07 0.00 0.00 0.00 0.00 61.98 63.38 1yhf s VAL 12 Cb -0.08 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1yhf s VAL 12 CO -0.02 -0.04 -0.12 -0.76 0.00 0.00 0.00 175.10 174.16 1yhf s LEU 13 N 2.72 2.52 -0.26 3.92 1.43 -1.26 -5.12 118.68 122.63 1yhf s LEU 13 Ca 0.59 -1.06 0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1yhf s LEU 13 Cb -0.26 -0.63 0.05 0.00 0.03 0.00 0.00 46.19 45.37 1yhf s LEU 13 CO 0.22 -0.23 -0.09 -0.62 0.23 0.00 0.00 176.35 175.86 1yhf s ASP 14 N -3.34 4.39 0.48 2.29 -1.08 -1.26 -5.02 116.67 113.13 1yhf s ASP 14 Ca 0.24 -1.20 0.18 0.00 -0.52 0.00 0.00 52.55 51.25 1yhf s ASP 14 Cb 0.01 -1.60 1.20 0.00 -1.46 0.00 0.00 42.92 41.06 1yhf s ASP 14 CO 0.08 -0.18 2.02 -0.07 0.52 0.00 0.00 175.17 177.54 1yhf h LEU 15 N 7.88 0.18 -0.51 -1.34 3.38 -2.00 0.16 115.31 123.07 1yhf h LEU 15 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1yhf h LEU 15 Cb 1.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1yhf h LEU 15 CO 0.52 0.11 0.00 0.35 0.09 0.00 0.00 178.44 179.50 1yhf n THR 16 N -4.45 0.92 0.35 0.22 -2.24 -1.26 -1.66 114.28 106.16 1yhf n THR 16 Ca 0.07 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.23 1yhf n THR 16 Cb 0.40 -1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 67.46 1yhf n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yhf n GLN 17 N -2.00 0.43 0.15 -0.78 1.13 0.54 -4.29 117.38 112.57 1yhf n GLN 17 Ca 0.02 -0.02 0.04 0.00 -1.94 0.00 0.00 57.00 55.10 1yhf n GLN 17 Cb 0.20 -1.63 0.08 0.00 0.11 0.00 0.00 30.24 29.00 1yhf n GLN 17 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1yhf h GLU 18 N 0.00 0.00 -4.67 -1.09 4.39 -1.02 -3.50 114.58 108.70 1yhf h GLU 18 Ca 0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1yhf h GLU 18 Cb 0.84 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.33 1yhf h GLU 18 CO 0.00 0.44 -0.71 0.08 -1.16 0.00 0.00 179.01 177.67 1yhf s VAL 19 N -3.05 0.69 -0.14 3.13 1.01 -1.15 -4.94 120.40 115.95 1yhf s VAL 19 Ca 0.04 -1.74 0.02 0.00 0.00 0.00 0.00 61.98 60.30 1yhf s VAL 19 Cb 0.08 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1yhf s VAL 19 CO 0.73 -0.74 -0.21 -0.63 0.00 0.00 0.00 175.10 174.25 1yhf s ILE 21 N -3.06 2.21 -0.03 2.22 1.01 -1.26 -4.64 121.20 117.65 1yhf s ILE 21 Ca 0.07 -0.93 0.08 0.00 0.00 0.00 0.00 60.65 59.86 1yhf s ILE 21 Cb 0.01 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 1yhf s ILE 21 CO -0.03 0.54 -0.25 -1.61 0.00 0.00 0.00 174.94 173.59 1yhf s GLU 22 N 0.74 2.17 -0.12 2.79 0.41 -1.26 -5.04 118.70 118.40 1yhf s GLU 22 Ca -0.08 -0.91 -0.38 0.00 -0.41 0.00 0.00 54.97 53.18 1yhf s GLU 22 Cb -0.16 -2.07 -0.16 0.00 -1.78 0.00 0.00 34.13 29.96 1yhf s GLU 22 CO 0.00 0.55 1.60 1.04 -0.49 0.00 0.00 175.26 177.96 1yhf n GLN 23 N 2.48 1.27 -2.17 1.61 6.02 -1.26 -1.73 117.38 123.60 1yhf n GLN 23 Ca -0.16 0.46 -0.17 0.00 -0.01 0.00 0.00 57.00 57.12 1yhf n GLN 23 Cb 0.51 -2.15 -0.03 0.00 1.02 0.00 0.00 30.24 29.60 1yhf n GLN 23 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1yhf n ASP 24 N 4.36 -4.90 0.00 1.08 8.00 -1.26 -5.04 116.55 118.79 1yhf n ASP 24 Ca 0.23 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1yhf n ASP 24 Cb 0.17 -4.18 0.00 0.00 -0.02 0.00 0.00 41.12 37.09 1yhf n ASP 24 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yhf n GLN 25 N -2.71 0.54 0.00 -1.24 6.02 -0.70 -4.99 117.38 114.30 1yhf n GLN 25 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 1yhf n GLN 25 Cb 0.63 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.89 1yhf n GLN 25 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1yhf n LEU 27 N 0.00 0.00 -3.89 1.08 4.32 -0.25 -1.71 117.00 116.55 1yhf n LEU 27 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.88 1yhf n LEU 27 Cb 0.00 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 41.69 1yhf n LEU 27 CO 0.00 0.00 -0.27 -0.94 -1.22 0.00 0.00 177.39 174.96 1yhf s SER 28 N 0.00 0.05 -0.25 -1.43 1.04 -1.26 -0.57 113.70 111.28 1yhf s SER 28 Ca 0.00 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.29 1yhf s SER 28 Cb 0.00 0.16 0.06 0.00 0.10 0.00 0.00 66.02 66.34 1yhf s SER 28 CO 0.00 -0.22 -0.08 -0.60 0.98 0.00 0.00 173.24 173.32 1yhf s ARG 29 N -0.88 1.93 -0.52 4.02 3.52 0.17 -4.99 118.95 122.21 1yhf s ARG 29 Ca -0.10 -1.17 -0.20 0.00 -0.13 0.00 0.00 55.73 54.13 1yhf s ARG 29 Cb -0.06 -2.74 0.05 0.00 -1.56 0.00 0.00 34.95 30.65 1yhf s ARG 29 CO 0.00 -0.58 0.70 0.99 -0.81 0.00 0.00 175.30 175.60 1yhf s THR 30 N 1.25 4.75 0.11 4.11 2.01 -1.26 -0.62 115.64 125.98 1yhf s THR 30 Ca -0.07 -0.32 -0.13 0.00 0.31 0.00 0.00 61.69 61.48 1yhf s THR 30 Cb -0.19 -4.36 -0.14 0.00 0.01 0.00 0.00 72.50 67.82 1yhf s THR 30 CO -0.06 -0.89 1.34 -0.07 -0.69 0.00 0.00 174.62 174.25 1yhf h LEU 31 N 10.02 0.96 -7.46 4.42 4.07 -0.75 -3.42 115.31 123.16 1yhf h LEU 31 Ca -0.27 -0.60 -0.21 0.00 0.08 0.00 0.00 57.88 56.88 1yhf h LEU 31 Cb 1.09 -0.28 -0.29 0.00 1.08 0.00 0.00 40.66 42.26 1yhf h LEU 31 CO 1.00 1.39 -0.53 -0.69 -1.08 0.00 0.00 178.44 178.53 1yhf s VAL 32 N -3.88 -0.03 -0.38 1.22 1.01 -0.85 -0.63 120.40 116.86 1yhf s VAL 32 Ca -0.11 0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1yhf s VAL 32 Cb 0.09 -0.28 0.15 0.00 0.00 0.00 0.00 36.38 36.34 1yhf s VAL 32 CO 0.90 0.04 0.29 -1.58 0.00 0.00 0.00 175.10 174.75 1yhf s GLN 33 N 0.77 0.69 0.38 2.72 0.74 -1.26 -1.36 119.66 122.36 1yhf s GLN 33 Ca -0.06 -1.53 0.04 0.00 0.05 0.00 0.00 55.36 53.87 1yhf s GLN 33 Cb -0.07 -1.22 -0.03 0.00 1.10 0.00 0.00 33.01 32.79 1yhf s GLN 33 CO -0.04 -1.27 0.14 -0.98 -0.55 0.00 0.00 175.29 172.58 1yhf s ARG 34 N 0.76 1.85 0.21 1.67 1.70 -0.41 -5.04 118.95 119.69 1yhf s ARG 34 Ca 0.23 -2.11 -0.09 0.00 -0.47 0.00 0.00 55.73 53.29 1yhf s ARG 34 Cb -0.12 -0.49 0.26 0.00 -0.57 0.00 0.00 34.95 34.03 1yhf s ARG 34 CO -0.07 -0.47 1.77 0.37 -1.08 0.00 0.00 175.30 175.83 1yhf h GLN 35 N 1.89 0.52 -0.51 3.89 4.15 -1.98 -2.97 115.11 120.10 1yhf h GLN 35 Ca -0.35 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.04 1yhf h GLN 35 Cb 1.27 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.84 1yhf h GLN 35 CO 0.55 0.34 0.00 -0.40 -1.93 0.00 0.00 178.83 177.40 1yhf n ASP 36 N -4.90 3.63 -3.64 -0.69 5.68 -1.24 -4.86 116.55 110.53 1yhf n ASP 36 Ca 0.08 -2.16 -0.06 0.00 -0.50 0.00 0.00 54.79 52.15 1yhf n ASP 36 Cb 0.23 -0.39 -0.06 0.00 -1.14 0.00 0.00 41.12 39.75 1yhf n ASP 36 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1yhf s LEU 37 N -1.30 -0.97 -0.09 -2.12 2.96 -1.12 -1.68 118.68 114.36 1yhf s LEU 37 Ca 0.37 1.50 0.03 0.00 -0.22 0.00 0.00 54.13 55.81 1yhf s LEU 37 Cb 0.22 2.35 -0.01 0.00 0.50 0.00 0.00 46.19 49.24 1yhf s LEU 37 CO 0.22 -0.23 -0.20 -0.83 -1.32 0.00 0.00 176.35 173.99 1yhf s GLY 38 N 1.86 1.41 -0.08 7.98 0.00 -0.39 -1.29 107.32 116.80 1yhf s GLY 38 Ca -0.09 -0.96 0.01 0.00 0.00 0.00 0.00 44.72 43.67 1yhf s GLY 38 CO -0.20 -0.40 -0.08 -0.42 0.00 0.00 0.00 173.10 172.00 1yhf s ILE 39 N 0.11 0.95 -0.04 0.90 1.01 -0.46 -0.14 121.20 123.53 1yhf s ILE 39 Ca -0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1yhf s ILE 39 Cb -0.16 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1yhf s ILE 39 CO 0.06 0.34 0.09 -0.89 0.00 0.00 0.00 174.94 174.54 1yhf s THR 40 N 1.25 -0.02 -0.17 2.92 2.01 -0.56 -0.21 115.64 120.86 1yhf s THR 40 Ca -0.04 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.91 1yhf s THR 40 Cb -0.14 -0.15 -0.05 0.00 0.01 0.00 0.00 72.50 72.17 1yhf s THR 40 CO -0.03 0.03 0.20 -0.69 -0.69 0.00 0.00 174.62 173.44 1yhf s VAL 41 N 0.41 5.37 0.18 3.82 1.01 0.20 -1.03 120.40 130.37 1yhf s VAL 41 Ca -0.03 0.34 0.11 0.00 0.00 0.00 0.00 61.98 62.39 1yhf s VAL 41 Cb -0.04 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1yhf s VAL 41 CO -0.02 0.45 -0.24 -0.36 0.00 0.00 0.00 175.10 174.94 1yhf s PHE 42 N 0.17 2.23 -0.01 5.22 0.08 -1.26 -0.66 117.98 123.75 1yhf s PHE 42 Ca 0.12 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.83 1yhf s PHE 42 Cb -0.12 -1.13 -0.01 0.00 -0.57 0.00 0.00 43.02 41.19 1yhf s PHE 42 CO 0.01 0.44 -0.12 -1.54 -0.10 0.00 0.00 175.22 173.92 1yhf s SER 43 N -2.53 1.43 -0.06 1.36 1.04 0.26 -4.35 113.70 110.85 1yhf s SER 43 Ca 0.18 -0.22 0.04 0.00 0.48 0.00 0.00 55.95 56.43 1yhf s SER 43 Cb -0.08 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.84 1yhf s SER 43 CO 0.09 0.14 -0.18 -0.76 0.98 0.00 0.00 173.24 173.51 1yhf s LEU 44 N -0.20 1.89 0.76 2.42 1.02 0.01 -1.09 118.68 123.48 1yhf s LEU 44 Ca 0.03 -0.39 -0.11 0.00 0.02 0.00 0.00 54.13 53.68 1yhf s LEU 44 Cb -0.06 -1.04 0.05 0.00 0.02 0.00 0.00 46.19 45.16 1yhf s LEU 44 CO -0.00 0.13 1.10 -0.62 0.02 0.00 0.00 176.35 176.97 1yhf s ASP 45 N 0.25 4.54 0.12 2.29 2.15 -0.69 -1.11 116.67 124.21 1yhf s ASP 45 Ca -0.10 1.87 -0.35 0.00 0.43 0.00 0.00 52.55 54.40 1yhf s ASP 45 Cb -0.14 -2.53 -0.16 0.00 -0.30 0.00 0.00 42.92 39.79 1yhf s ASP 45 CO 0.04 -2.01 1.27 1.17 -0.17 0.00 0.00 175.17 175.47 1yhf n LYS 46 N -3.36 1.14 -0.16 4.34 4.81 -1.26 -1.68 118.16 121.98 1yhf n LYS 46 Ca 0.09 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 1yhf n LYS 46 Cb 0.53 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.58 1yhf n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yhf n GLY 47 N 2.32 1.58 3.86 3.14 0.00 0.40 -4.88 105.19 111.60 1yhf n GLY 47 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1yhf n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yhf s GLN 48 N -0.38 3.51 -0.00 1.61 -1.52 -0.68 -4.80 119.66 117.40 1yhf s GLN 48 Ca 0.00 0.82 -0.12 0.00 -1.95 0.00 0.00 55.36 54.11 1yhf s GLN 48 Cb 0.00 -2.07 0.01 0.00 -0.22 0.00 0.00 33.01 30.74 1yhf s GLN 48 CO 0.00 -0.64 0.24 -1.83 -0.25 0.00 0.00 175.29 172.81 1yhf s GLU 49 N -5.03 0.60 -0.30 2.91 -1.05 -1.26 -1.05 118.70 113.51 1yhf s GLU 49 Ca 0.56 -0.30 -0.10 0.00 -0.15 0.00 0.00 54.97 54.99 1yhf s GLU 49 Cb -0.12 0.26 -0.02 0.00 -0.44 0.00 0.00 34.13 33.82 1yhf s GLU 49 CO 0.52 -0.16 0.16 0.42 0.95 0.00 0.00 175.26 177.15 1yhf s ILE 50 N -1.40 4.73 0.74 1.83 1.01 0.05 -5.01 121.20 123.15 1yhf s ILE 50 Ca -0.14 -0.30 -0.15 0.00 0.00 0.00 0.00 60.65 60.06 1yhf s ILE 50 Cb -0.06 -3.38 0.05 0.00 0.01 0.00 0.00 42.46 39.08 1yhf s ILE 50 CO 0.03 0.11 1.23 -0.83 0.00 0.00 0.00 174.94 175.47 1yhf s GLY 51 N 1.64 2.39 0.00 6.18 0.00 -1.26 -2.00 107.32 114.28 1yhf s GLY 51 Ca 0.05 0.94 -0.39 0.00 0.00 0.00 0.00 44.72 45.33 1yhf s GLY 51 CO 0.07 1.36 1.24 -2.13 0.00 0.00 0.00 173.10 173.64 1yhf n ARG 52 N -2.77 0.56 -3.79 2.90 0.63 -1.25 -4.67 116.66 108.27 1yhf n ARG 52 Ca 0.14 0.20 -0.04 0.00 -0.92 0.00 0.00 57.85 57.23 1yhf n ARG 52 Cb 0.50 -1.77 -0.01 0.00 0.45 0.00 0.00 32.46 31.62 1yhf n ARG 52 CO 0.00 0.00 0.00 -3.38 -2.51 0.00 0.00 177.63 171.74 1yhf s HIS 53 N 0.51 -0.14 0.01 -0.14 -3.43 -0.12 -4.94 115.29 107.04 1yhf s HIS 53 Ca 0.89 -0.21 0.07 0.00 -0.80 0.00 0.00 55.06 55.01 1yhf s HIS 53 Cb -1.13 0.66 -0.03 0.00 -1.43 0.00 0.00 32.58 30.65 1yhf s HIS 53 CO 0.54 -0.95 -0.21 -1.12 -2.00 0.00 0.00 174.74 171.00 1yhf s SER 54 N -2.95 3.55 0.11 7.38 0.01 -1.26 -0.58 113.70 119.96 1yhf s SER 54 Ca 0.12 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.01 1yhf s SER 54 Cb -0.03 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.63 1yhf s SER 54 CO 0.04 0.29 0.02 -0.55 0.41 0.00 0.00 173.24 173.45 1yhf s SER 55 N -1.06 5.11 0.00 2.44 0.15 -1.26 -4.94 113.70 114.13 1yhf s SER 55 Ca 0.12 -0.18 0.24 0.00 0.70 0.00 0.00 55.95 56.83 1yhf s SER 55 Cb -0.10 -1.23 1.10 0.00 -1.71 0.00 0.00 66.02 64.08 1yhf s SER 55 CO 0.02 0.15 1.78 -0.81 1.20 0.00 0.00 173.24 175.58 1yhf n PRO 56 N 0.35 0.14 -3.88 5.44 -0.04 -1.26 0.20 135.00 135.95 1yhf n PRO 56 Ca -0.10 0.08 -0.22 0.00 -0.04 0.00 0.00 63.50 63.22 1yhf n PRO 56 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 1yhf n PRO 56 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1yhf s GLY 57 N -2.83 2.00 0.14 0.55 0.00 -1.26 -4.44 107.32 101.48 1yhf s GLY 57 Ca 0.16 -1.83 -0.30 0.00 0.00 0.00 0.00 44.72 42.75 1yhf s GLY 57 CO 0.41 -1.71 0.96 0.99 0.00 0.00 0.00 173.10 173.75 1yhf s ASP 58 N -3.97 7.52 0.42 1.64 1.01 -0.08 -3.48 116.67 119.74 1yhf s ASP 58 Ca 0.42 1.84 0.00 0.00 0.71 0.00 0.00 52.55 55.52 1yhf s ASP 58 Cb -0.03 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.31 1yhf s ASP 58 CO 0.25 -0.02 0.03 0.00 0.21 0.00 0.00 175.17 175.64 1yhf n ALA 59 N 2.48 0.39 -3.38 5.23 0.00 -1.26 -0.07 120.51 123.89 1yhf n ALA 59 Ca 0.01 -1.88 0.02 0.00 0.00 0.00 0.00 53.44 51.60 1yhf n ALA 59 Cb 0.49 1.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.89 1yhf n ALA 59 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yhf s VAL 61 N -2.49 -0.13 -0.21 0.00 1.01 0.42 -4.38 120.40 114.62 1yhf s VAL 61 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1yhf s VAL 61 Cb -0.00 -1.00 0.02 0.00 0.00 0.00 0.00 36.38 35.40 1yhf s VAL 61 CO 0.02 0.00 -0.14 -0.89 0.00 0.00 0.00 175.10 174.08 1yhf s THR 62 N 1.83 2.39 -0.21 3.92 2.01 -0.20 -1.01 115.64 124.36 1yhf s THR 62 Ca -0.03 -0.99 -0.25 0.00 0.31 0.00 0.00 61.69 60.72 1yhf s THR 62 Cb -0.02 -2.11 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 1yhf s THR 62 CO -0.15 0.39 0.86 -0.63 -0.69 0.00 0.00 174.62 174.40 1yhf s ILE 63 N 1.30 4.83 -0.12 1.82 -1.09 -0.59 -0.53 121.20 126.81 1yhf s ILE 63 Ca 0.02 1.66 0.20 0.00 -2.23 0.00 0.00 60.65 60.31 1yhf s ILE 63 Cb -0.15 -4.15 -0.21 0.00 -1.58 0.00 0.00 42.46 36.37 1yhf s ILE 63 CO -0.09 -0.05 0.58 0.18 -1.23 0.00 0.00 174.94 174.33 1yhf n LEU 64 N 5.77 0.36 -3.51 2.97 4.77 0.18 -1.13 117.00 126.42 1yhf n LEU 64 Ca 0.06 0.15 -0.10 0.00 -0.03 0.00 0.00 56.01 56.10 1yhf n LEU 64 Cb 0.48 0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.66 1yhf n LEU 64 CO 0.48 0.10 0.54 -0.94 -1.33 0.00 0.00 177.39 176.24 1yhf s SER 65 N -5.17 -0.44 0.48 -1.43 1.04 -1.13 -4.73 113.70 102.31 1yhf s SER 65 Ca -0.06 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.30 1yhf s SER 65 Cb 0.10 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1yhf s SER 65 CO 0.85 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1yhf n GLY 66 N -0.34 0.21 3.06 7.32 0.00 -1.26 -2.72 105.19 111.46 1yhf n GLY 66 Ca -0.12 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1yhf n GLY 66 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yhf s LEU 67 N 0.00 0.81 0.00 0.99 2.96 -1.25 -2.33 118.68 119.86 1yhf s LEU 67 Ca 0.00 0.46 0.05 0.00 -0.22 0.00 0.00 54.13 54.42 1yhf s LEU 67 Cb 0.00 0.70 -0.01 0.00 0.50 0.00 0.00 46.19 47.38 1yhf s LEU 67 CO 0.00 -0.12 -0.16 0.00 -1.32 0.00 0.00 176.35 174.75 1yhf s ALA 68 N 0.69 1.32 -0.30 5.97 0.00 -0.53 -2.69 121.76 126.22 1yhf s ALA 68 Ca -0.05 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.07 1yhf s ALA 68 Cb -0.06 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.72 1yhf s ALA 68 CO -0.04 0.31 0.19 -2.00 0.00 0.00 0.00 175.76 174.22 1yhf s GLU 69 N -0.56 3.64 -0.15 0.00 2.12 0.36 -0.12 118.70 123.99 1yhf s GLU 69 Ca 0.05 -0.53 -0.03 0.00 0.36 0.00 0.00 54.97 54.82 1yhf s GLU 69 Cb -0.07 -3.66 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1yhf s GLU 69 CO -0.00 -0.32 -0.04 0.42 -0.54 0.00 0.00 175.26 174.77 1yhf s ILE 70 N 1.70 3.84 -0.15 -3.70 1.01 0.14 -0.43 121.20 123.61 1yhf s ILE 70 Ca 0.06 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 1yhf s ILE 70 Cb -0.17 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.60 1yhf s ILE 70 CO 0.09 0.50 -0.04 -0.89 0.00 0.00 0.00 174.94 174.60 1yhf s THR 71 N 0.35 3.88 -0.20 2.92 2.01 -0.35 0.59 115.64 124.85 1yhf s THR 71 Ca -0.05 -0.37 -0.00 0.00 0.31 0.00 0.00 61.69 61.58 1yhf s THR 71 Cb -0.14 -2.69 0.05 0.00 0.01 0.00 0.00 72.50 69.73 1yhf s THR 71 CO 0.03 0.51 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.79 1yhf s ILE 72 N 0.21 1.24 0.00 1.82 1.01 0.05 -1.52 121.20 124.02 1yhf s ILE 72 Ca -0.02 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.75 1yhf s ILE 72 Cb -0.14 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1yhf s ILE 72 CO 0.03 0.01 0.00 -0.67 0.00 0.00 0.00 174.94 174.30 1yhf n ASP 73 N 4.80 0.00 0.01 3.58 2.03 0.13 -1.69 116.55 125.42 1yhf n ASP 73 Ca -0.12 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.05 1yhf n ASP 73 Cb 0.46 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.72 1yhf n ASP 73 CO 0.00 0.00 0.00 0.06 -1.92 0.00 0.00 177.20 175.34 1yhf h GLN 74 N 0.00 0.14 -6.31 -0.67 -0.00 -1.95 -3.48 115.11 102.84 1yhf h GLN 74 Ca 0.00 -0.24 -0.56 0.00 -0.00 0.00 0.00 58.65 57.85 1yhf h GLN 74 Cb 0.00 0.09 -0.04 0.00 -0.00 0.00 0.00 27.48 27.53 1yhf h GLN 74 CO 0.00 0.89 -0.07 -2.00 -0.00 0.00 0.00 178.83 177.65 1yhf s GLU 75 N -2.60 4.02 -0.05 0.06 2.12 -0.68 -5.05 118.70 116.53 1yhf s GLU 75 Ca -0.10 0.54 -0.01 0.00 0.36 0.00 0.00 54.97 55.77 1yhf s GLU 75 Cb 0.07 -2.98 -0.04 0.00 0.26 0.00 0.00 34.13 31.44 1yhf s GLU 75 CO 0.82 0.51 0.02 0.95 -0.54 0.00 0.00 175.26 177.02 1yhf s THR 76 N -1.40 4.41 -0.05 -1.70 -4.23 -1.26 -0.77 115.64 110.64 1yhf s THR 76 Ca 0.36 -0.36 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1yhf s THR 76 Cb -0.16 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.76 1yhf s THR 76 CO 0.19 0.49 -0.12 -0.31 -0.54 0.00 0.00 174.62 174.33 1yhf s TYR 77 N -1.02 1.36 -0.37 3.99 2.02 0.20 -4.96 117.35 118.57 1yhf s TYR 77 Ca 0.17 -0.44 -0.12 0.00 -0.37 0.00 0.00 57.07 56.30 1yhf s TYR 77 Cb -0.12 -0.98 0.02 0.00 -0.40 0.00 0.00 41.96 40.48 1yhf s TYR 77 CO 0.07 -0.21 0.24 1.03 -1.57 0.00 0.00 175.55 175.10 1yhf s ARG 78 N 0.45 3.02 -0.31 -0.62 3.00 -1.26 0.24 118.95 123.47 1yhf s ARG 78 Ca -0.10 -0.96 -0.09 0.00 0.00 0.00 0.00 55.73 54.58 1yhf s ARG 78 Cb -0.13 -3.81 -0.00 0.00 0.00 0.00 0.00 34.95 31.01 1yhf s ARG 78 CO 0.03 -0.65 0.13 0.08 0.00 0.00 0.00 175.30 174.89 1yhf s VAL 79 N 1.62 4.40 0.59 3.52 1.01 0.83 -4.93 120.40 127.45 1yhf s VAL 79 Ca 0.04 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1yhf s VAL 79 Cb -0.19 -3.26 0.08 0.00 0.00 0.00 0.00 36.38 33.01 1yhf s VAL 79 CO 0.08 0.06 0.82 0.00 0.00 0.00 0.00 175.10 176.06 1yhf s ALA 80 N 1.58 4.18 0.18 5.51 0.00 -1.26 -1.45 121.76 130.49 1yhf s ALA 80 Ca 0.04 -1.76 -0.33 0.00 0.00 0.00 0.00 51.96 49.90 1yhf s ALA 80 Cb -0.17 -1.80 -0.14 0.00 0.00 0.00 0.00 23.12 21.01 1yhf s ALA 80 CO 0.05 -0.95 1.48 -1.91 0.00 0.00 0.00 175.76 174.44 1yhf n GLU 81 N -2.40 1.96 -0.64 0.00 2.13 -0.98 -1.62 120.64 119.09 1yhf n GLU 81 Ca 0.13 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1yhf n GLU 81 Cb 0.60 -2.42 0.00 0.00 0.27 0.00 0.00 31.44 29.90 1yhf n GLU 81 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yhf n GLY 82 N 2.89 0.82 3.73 8.31 0.00 -0.28 -5.01 105.19 115.64 1yhf n GLY 82 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 1yhf n GLY 82 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yhf s GLN 83 N -0.36 2.66 0.04 1.61 -0.21 -0.64 -4.95 119.66 117.80 1yhf s GLN 83 Ca 0.00 -0.99 0.03 0.00 0.02 0.00 0.00 55.36 54.41 1yhf s GLN 83 Cb 0.00 -2.50 -0.02 0.00 1.00 0.00 0.00 33.01 31.49 1yhf s GLN 83 CO 0.00 0.47 -0.09 0.99 -2.12 0.00 0.00 175.29 174.54 1yhf s THR 84 N -1.76 0.66 -0.05 -0.19 2.01 -1.26 -1.53 115.64 113.52 1yhf s THR 84 Ca 0.29 -0.97 -0.06 0.00 0.31 0.00 0.00 61.69 61.27 1yhf s THR 84 Cb -0.10 -0.68 0.01 0.00 0.01 0.00 0.00 72.50 71.75 1yhf s THR 84 CO 0.21 -0.24 0.15 -0.51 -0.69 0.00 0.00 174.62 173.54 1yhf s ILE 85 N -1.11 0.01 0.00 1.82 2.07 -0.18 -5.00 121.20 118.81 1yhf s ILE 85 Ca -0.06 -0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 1yhf s ILE 85 Cb -0.09 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.26 1yhf s ILE 85 CO 0.01 -0.04 0.00 0.52 -1.91 0.00 0.00 174.94 173.51 1yhf n VAL 86 N 2.82 0.00 -4.21 4.00 0.31 -1.26 -0.44 118.33 119.55 1yhf n VAL 86 Ca -0.14 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.03 1yhf n VAL 86 Cb 0.59 -0.82 -0.13 0.00 -0.91 0.00 0.00 33.84 32.56 1yhf n VAL 86 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1yhf s PRO 88 N -0.69 0.62 0.30 5.55 0.04 -1.26 -4.93 135.00 134.63 1yhf s PRO 88 Ca 0.00 -0.50 -0.28 0.00 0.04 0.00 0.00 61.00 60.26 1yhf s PRO 88 Cb 0.00 -0.55 -0.13 0.00 0.04 0.00 0.00 34.50 33.86 1yhf s PRO 88 CO 0.00 0.14 1.17 0.00 0.04 0.00 0.00 177.00 178.35 1yhf n ALA 89 N 2.28 0.52 -0.79 8.56 0.00 -1.23 -2.81 120.51 127.04 1yhf n ALA 89 Ca -0.17 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.65 1yhf n ALA 89 Cb 0.56 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1yhf n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yhf n GLY 90 N 1.14 1.20 3.51 0.00 0.00 0.13 -4.99 105.19 106.18 1yhf n GLY 90 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1yhf n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yhf s ILE 91 N -3.53 4.17 0.34 -0.61 -1.09 -1.13 -4.93 121.20 114.42 1yhf s ILE 91 Ca 0.00 -0.25 -0.28 0.00 -2.23 0.00 0.00 60.65 57.89 1yhf s ILE 91 Cb 0.00 -2.87 -0.12 0.00 -1.58 0.00 0.00 42.46 37.89 1yhf s ILE 91 CO 0.00 0.45 1.40 -2.65 -1.23 0.00 0.00 174.94 172.91 1yhf n PRO 92 N 3.91 2.37 -4.04 2.79 -0.02 -1.26 -4.61 135.00 134.14 1yhf n PRO 92 Ca -0.17 0.83 -0.08 0.00 -2.02 0.00 0.00 63.50 62.07 1yhf n PRO 92 Cb 0.52 -2.49 -0.10 0.00 -0.02 0.00 0.00 33.50 31.41 1yhf n PRO 92 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1yhf s HIS 93 N -0.93 0.43 0.09 6.00 -3.43 0.25 0.23 115.29 117.93 1yhf s HIS 93 Ca 0.56 -0.93 -0.09 0.00 -0.80 0.00 0.00 55.06 53.80 1yhf s HIS 93 Cb -0.53 -0.32 -0.00 0.00 -1.43 0.00 0.00 32.58 30.30 1yhf s HIS 93 CO 0.61 -0.39 0.19 0.00 -2.00 0.00 0.00 174.74 173.15 1yhf s ALA 94 N -3.65 -0.24 -0.04 -1.38 0.00 -0.57 -0.94 121.76 114.95 1yhf s ALA 94 Ca 0.04 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1yhf s ALA 94 Cb 0.06 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.68 1yhf s ALA 94 CO -0.09 -0.51 -0.04 -0.51 0.00 0.00 0.00 175.76 174.61 1yhf s LEU 95 N -2.85 1.39 -0.08 0.00 1.02 -0.85 -1.22 118.68 116.10 1yhf s LEU 95 Ca 0.05 -0.11 0.04 0.00 0.02 0.00 0.00 54.13 54.13 1yhf s LEU 95 Cb 0.05 -0.39 0.00 0.00 0.02 0.00 0.00 46.19 45.87 1yhf s LEU 95 CO -0.11 -0.04 -0.19 -0.47 0.02 0.00 0.00 176.35 175.55 1yhf s TYR 96 N 0.79 2.06 -1.02 0.29 5.04 0.42 -0.77 117.35 124.16 1yhf s TYR 96 Ca -0.10 -0.76 -0.23 0.00 -2.44 0.00 0.00 57.07 53.54 1yhf s TYR 96 Cb -0.13 -1.41 0.05 0.00 0.35 0.00 0.00 41.96 40.83 1yhf s TYR 96 CO -0.00 -0.31 1.44 0.00 -1.34 0.00 0.00 175.55 175.34 1yhf s ALA 97 N 0.34 2.72 0.18 3.97 0.00 -0.22 -0.48 121.76 128.27 1yhf s ALA 97 Ca -0.14 -2.26 -0.13 0.00 0.00 0.00 0.00 51.96 49.44 1yhf s ALA 97 Cb -0.16 -4.52 0.18 0.00 0.00 0.00 0.00 23.12 18.62 1yhf s ALA 97 CO 0.06 -3.61 1.75 0.28 0.00 0.00 0.00 175.76 174.24 1yhf h VAL 98 N 6.78 0.83 -2.31 0.00 2.07 -1.85 0.11 116.25 121.88 1yhf h VAL 98 Ca 0.19 -0.12 -0.54 0.00 0.82 0.00 0.00 66.70 67.04 1yhf h VAL 98 Cb 1.01 0.44 -0.14 0.00 -1.52 0.00 0.00 31.29 31.08 1yhf h VAL 98 CO 1.42 0.07 -0.62 -1.61 0.02 0.00 0.00 177.57 176.85 1yhf s GLU 99 N -6.13 1.76 0.23 1.57 2.02 -1.09 -4.62 118.70 112.44 1yhf s GLU 99 Ca -0.13 -1.97 -0.31 0.00 0.02 0.00 0.00 54.97 52.58 1yhf s GLU 99 Cb 0.15 -1.26 -0.14 0.00 0.10 0.00 0.00 34.13 32.98 1yhf s GLU 99 CO 0.73 -0.08 1.30 0.00 0.02 0.00 0.00 175.26 177.23 1yhf n ALA 100 N -0.79 0.53 -2.26 5.21 0.00 -1.26 -4.33 120.51 117.60 1yhf n ALA 100 Ca -0.04 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.74 1yhf n ALA 100 Cb 0.66 -2.19 -0.09 0.00 0.00 0.00 0.00 19.45 17.83 1yhf n ALA 100 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1yhf s PHE 101 N -0.25 0.45 0.34 0.00 -0.12 -0.27 -3.90 117.98 114.23 1yhf s PHE 101 Ca 0.68 -0.94 0.04 0.00 -0.05 0.00 0.00 56.93 56.66 1yhf s PHE 101 Cb -0.70 -0.29 -0.07 0.00 -0.63 0.00 0.00 43.02 41.34 1yhf s PHE 101 CO 0.52 -0.46 0.05 -0.65 -0.05 0.00 0.00 175.22 174.63 1yhf s GLN 102 N -3.92 1.72 -0.10 1.99 -0.21 -1.10 -0.81 119.66 117.22 1yhf s GLN 102 Ca 0.09 -1.96 0.03 0.00 0.02 0.00 0.00 55.36 53.54 1yhf s GLN 102 Cb 0.07 -1.00 0.01 0.00 1.00 0.00 0.00 33.01 33.08 1yhf s GLN 102 CO -0.08 -0.17 -0.19 -1.17 -2.12 0.00 0.00 175.29 171.56 1yhf s LEU 104 N -3.53 1.89 -0.21 2.90 2.96 0.31 0.52 118.68 123.52 1yhf s LEU 104 Ca 0.36 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 1yhf s LEU 104 Cb 0.09 -1.19 0.02 0.00 0.50 0.00 0.00 46.19 45.62 1yhf s LEU 104 CO 0.16 0.09 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.91 1yhf s LEU 105 N 0.60 2.59 -0.24 -0.68 2.96 -0.19 -1.03 118.68 122.69 1yhf s LEU 105 Ca -0.14 -0.77 0.01 0.00 -0.22 0.00 0.00 54.13 53.01 1yhf s LEU 105 Cb -0.17 -1.55 0.04 0.00 0.50 0.00 0.00 46.19 45.01 1yhf s LEU 105 CO 0.04 -0.05 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.23 1yhf s VAL 106 N 1.29 2.45 -0.31 1.68 1.01 -1.26 -1.49 120.40 123.76 1yhf s VAL 106 Ca 0.02 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.70 1yhf s VAL 106 Cb -0.15 -2.28 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1yhf s VAL 106 CO -0.09 0.17 0.06 -0.69 0.00 0.00 0.00 175.10 174.55 1yhf s VAL 107 N 1.23 3.54 -0.38 2.92 1.01 0.80 -4.24 120.40 125.28 1yhf s VAL 107 Ca -0.02 -1.09 -0.12 0.00 0.00 0.00 0.00 61.98 60.75 1yhf s VAL 107 Cb -0.17 -2.95 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1yhf s VAL 107 CO -0.06 -0.07 0.24 -0.69 0.00 0.00 0.00 175.10 174.52 1yhf s VAL 108 N 1.38 4.86 0.31 2.92 1.01 0.90 -1.26 120.40 130.51 1yhf s VAL 108 Ca -0.01 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1yhf s VAL 108 Cb -0.19 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1yhf s VAL 108 CO 0.01 -0.24 0.30 -0.54 0.00 0.00 0.00 175.10 174.63 1yhf s LYS 109 N 1.61 2.85 0.23 2.72 1.02 -0.67 -0.90 119.74 126.61 1yhf s LYS 109 Ca 0.03 -1.18 -0.31 0.00 0.02 0.00 0.00 55.97 54.54 1yhf s LYS 109 Cb -0.19 -2.56 -0.14 0.00 -0.52 0.00 0.00 37.83 34.41 1yhf s LYS 109 CO 0.08 0.16 1.18 -2.30 -0.92 0.00 0.00 175.35 173.56 1yhf n PRO 110 N -1.38 1.48 -1.75 -1.68 -0.02 -1.26 -4.76 135.00 125.63 1yhf n PRO 110 Ca -0.03 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 1yhf n PRO 110 Cb 0.59 -2.03 -0.00 0.00 -0.02 0.00 0.00 33.50 32.04 1yhf n PRO 110 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1yhf n GLU 111 N 1.43 2.51 0.00 -0.52 1.02 -1.26 -4.54 120.64 119.28 1yhf n GLU 111 Ca 0.12 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.14 1yhf n GLU 111 Cb 0.29 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 1yhf n GLU 111 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31