#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhh s TYR 3 N -3.37 0.41 -0.09 0.00 1.13 -0.99 -5.02 117.35 109.41 1xhh s TYR 3 Ca 0.00 -0.76 -0.04 0.00 -1.41 0.00 0.00 57.07 54.86 1xhh s TYR 3 Cb 0.00 0.09 0.05 0.00 -1.10 0.00 0.00 41.96 41.00 1xhh s TYR 3 CO 0.00 -0.91 0.19 -0.59 -2.51 0.00 0.00 175.55 171.73 1xhh s PHE 4 N -4.01 -0.25 -0.13 -3.49 -0.71 -1.26 -1.90 117.98 106.21 1xhh s PHE 4 Ca 0.22 0.68 -0.02 0.00 -1.04 0.00 0.00 56.93 56.78 1xhh s PHE 4 Cb 0.01 -0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.69 1xhh s PHE 4 CO 0.07 -0.25 -0.07 0.42 -1.34 0.00 0.00 175.22 174.05 1xhh s ILE 5 N 1.80 3.60 0.30 -4.49 1.01 -0.58 -4.91 121.20 117.93 1xhh s ILE 5 Ca -0.03 -0.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 1xhh s ILE 5 Cb -0.12 -2.54 -0.12 0.00 0.01 0.00 0.00 42.46 39.70 1xhh s ILE 5 CO -0.07 0.52 1.53 -0.81 0.00 0.00 0.00 174.94 176.11 1xhh n PRO 6 N 3.29 2.56 -1.51 2.79 -0.04 -1.26 -1.87 135.00 138.96 1xhh n PRO 6 Ca -0.18 0.91 -0.44 0.00 -0.04 0.00 0.00 63.50 63.75 1xhh n PRO 6 Cb 0.53 -2.65 -0.06 0.00 -0.04 0.00 0.00 33.50 31.27 1xhh n PRO 6 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xhh n ASN 7 N 1.77 2.11 0.23 3.54 4.05 -1.25 -4.76 115.26 120.94 1xhh n ASN 7 Ca 0.07 0.06 0.12 0.00 0.45 0.00 0.00 54.58 55.29 1xhh n ASN 7 Cb 0.36 -1.36 0.25 0.00 1.23 0.00 0.00 39.78 40.26 1xhh n ASN 7 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 177.26 174.27 1xhh h GLN 8 N 14.98 0.00 -6.66 1.20 -0.00 -1.87 -3.45 115.11 119.31 1xhh h GLN 8 Ca -0.25 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 57.87 1xhh h GLN 8 Cb 1.29 0.00 0.06 0.00 -0.00 0.00 0.00 27.48 28.83 1xhh h GLN 8 CO 1.10 0.03 0.94 -1.12 -0.00 0.00 0.00 178.83 179.78 1xhh s SER 9 N -6.14 6.47 0.00 0.06 0.01 -1.26 -4.85 113.70 107.99 1xhh s SER 9 Ca 0.06 2.77 0.30 0.00 1.31 0.00 0.00 55.95 60.39 1xhh s SER 9 Cb 0.06 -2.60 1.63 0.00 0.21 0.00 0.00 66.02 65.32 1xhh s SER 9 CO 0.65 -0.90 2.07 0.18 0.41 0.00 0.00 173.24 175.66 1xhh n LEU 10 N 3.70 0.42 -4.47 2.44 4.77 -1.26 -4.68 117.00 117.92 1xhh n LEU 10 Ca 0.14 -0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 1xhh n LEU 10 Cb 0.37 -0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1xhh n LEU 10 CO 0.63 0.07 -0.09 -0.54 -1.33 0.00 0.00 177.39 176.12 1xhh s LYS 11 N -2.00 3.11 -0.04 3.23 -0.14 -1.26 -4.96 119.74 117.68 1xhh s LYS 11 Ca 0.44 -0.92 -0.01 0.00 -1.36 0.00 0.00 55.97 54.13 1xhh s LYS 11 Cb 0.21 -3.90 -0.03 0.00 -1.68 0.00 0.00 37.83 32.43 1xhh s LYS 11 CO 0.35 -0.66 0.96 -2.30 -0.76 0.00 0.00 175.35 172.95 1xhh n PRO 12 N 5.13 0.29 -1.97 -1.68 -0.02 -1.26 -2.86 135.00 132.62 1xhh n PRO 12 Ca -0.12 -0.25 -0.01 0.00 -2.02 0.00 0.00 63.50 61.10 1xhh n PRO 12 Cb 0.48 -1.68 0.05 0.00 -0.02 0.00 0.00 33.50 32.33 1xhh n PRO 12 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1xhh n ASN 13 N 3.36 -0.63 -3.33 2.55 2.85 -1.26 -5.06 115.26 113.75 1xhh n ASN 13 Ca 0.06 -1.51 -0.13 0.00 -0.11 0.00 0.00 54.58 52.89 1xhh n ASN 13 Cb 0.09 0.29 -0.04 0.00 1.24 0.00 0.00 39.78 41.37 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1xhh s GLU 14 N 0.05 1.88 -0.26 1.20 2.02 -1.14 -1.69 118.70 120.77 1xhh s GLU 14 Ca 0.04 -1.67 -0.04 0.00 0.02 0.00 0.00 54.97 53.32 1xhh s GLU 14 Cb 0.19 0.46 0.14 0.00 0.10 0.00 0.00 34.13 35.02 1xhh s GLU 14 CO -0.05 -0.79 0.48 0.00 0.02 0.00 0.00 175.26 174.91 1xhh s GLN 16 N 2.68 0.55 -0.04 0.00 0.74 -1.26 -1.43 119.66 120.90 1xhh s GLN 16 Ca 0.10 -0.80 -0.28 0.00 0.05 0.00 0.00 55.36 54.43 1xhh s GLN 16 Cb -0.14 -0.29 0.06 0.00 1.10 0.00 0.00 33.01 33.74 1xhh s GLN 16 CO -0.17 0.05 0.62 -0.51 -0.55 0.00 0.00 175.29 174.72 1xhh s ASP 17 N -1.69 -0.58 0.58 6.67 1.01 -1.21 -4.65 116.67 116.80 1xhh s ASP 17 Ca -0.08 0.61 0.00 0.00 0.71 0.00 0.00 52.55 53.78 1xhh s ASP 17 Cb -0.09 0.50 0.00 0.00 1.01 0.00 0.00 42.92 44.34 1xhh s ASP 17 CO 0.00 -0.58 0.00 0.18 0.21 0.00 0.00 175.17 174.98 1xhh n LEU 18 N 0.96 0.00 -0.07 1.23 4.77 -1.26 -2.29 117.00 120.33 1xhh n LEU 18 Ca -0.19 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.81 1xhh n LEU 18 Cb 0.57 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.65 1xhh n LEU 18 CO 0.24 0.00 0.11 1.17 -1.33 0.00 0.00 177.39 177.58 1xhh n LYS 19 N 6.69 3.46 -0.10 3.23 3.00 -1.26 -4.67 118.16 128.50 1xhh n LYS 19 Ca 0.00 -0.28 -0.12 0.00 -0.00 0.00 0.00 58.31 57.90 1xhh n LYS 19 Cb 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 35.03 34.05 1xhh n LYS 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1xhh n GLY 20 N 0.82 -0.61 3.78 3.14 0.00 -1.24 -4.72 105.19 106.35 1xhh n GLY 20 Ca 0.02 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 1xhh n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xhh s VAL 21 N -2.44 3.61 0.00 1.61 1.01 -0.97 -4.98 120.40 118.24 1xhh s VAL 21 Ca -0.19 1.32 0.00 0.00 0.00 0.00 0.00 61.98 63.11 1xhh s VAL 21 Cb 0.06 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.72 1xhh s VAL 21 CO 0.63 0.09 0.00 -0.24 0.00 0.00 0.00 175.10 175.58 1xhh n SER 22 N 0.19 0.00 -3.75 3.32 2.88 -1.25 -3.29 113.62 111.72 1xhh n SER 22 Ca 0.04 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.47 1xhh n SER 22 Cb 0.48 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.88 1xhh n SER 22 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1xhh s HIS 23 N 0.00 -0.07 0.83 0.66 -3.43 -0.52 -5.00 115.29 107.77 1xhh s HIS 23 Ca 0.00 -0.16 -0.13 0.00 -0.80 0.00 0.00 55.06 53.97 1xhh s HIS 23 Cb 0.00 0.09 0.08 0.00 -1.43 0.00 0.00 32.58 31.32 1xhh s HIS 23 CO 0.00 -0.55 1.03 -0.35 -2.00 0.00 0.00 174.74 172.88 1xhh n PRO 24 N 0.30 0.04 -1.97 -0.38 -0.04 -1.26 -1.31 135.00 130.37 1xhh n PRO 24 Ca -0.17 0.09 -0.33 0.00 -0.04 0.00 0.00 63.50 63.04 1xhh n PRO 24 Cb 0.61 -2.30 0.02 0.00 -0.04 0.00 0.00 33.50 31.79 1xhh n PRO 24 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xhh s LEU 25 N -4.72 3.50 0.37 1.53 2.96 -0.68 -4.53 118.68 117.11 1xhh s LEU 25 Ca 0.70 1.95 0.00 0.00 -0.22 0.00 0.00 54.13 56.56 1xhh s LEU 25 Cb -0.28 -4.55 0.00 0.00 0.50 0.00 0.00 46.19 41.86 1xhh s LEU 25 CO 0.54 -1.35 0.00 0.59 -1.32 0.00 0.00 176.35 174.81 1xhh n ASN 26 N -2.05 -3.07 -0.06 3.68 4.13 -1.26 -4.88 115.26 111.75 1xhh n ASN 26 Ca 0.10 0.71 0.00 0.00 1.68 0.00 0.00 54.58 57.07 1xhh n ASN 26 Cb 0.52 2.95 0.00 0.00 -1.54 0.00 0.00 39.78 41.71 1xhh n ASN 26 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1xhh n SER 27 N -3.29 0.00 -4.47 6.41 3.41 -1.26 -5.13 113.62 109.28 1xhh n SER 27 Ca 0.00 -0.06 -0.34 0.00 -0.26 0.00 0.00 58.87 58.21 1xhh n SER 27 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 1xhh n SER 27 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1xhh s VAL 28 N -2.07 3.89 0.12 -3.33 -7.23 -1.26 -4.05 120.40 106.47 1xhh s VAL 28 Ca 0.00 -0.35 0.10 0.00 -1.81 0.00 0.00 61.98 59.92 1xhh s VAL 28 Cb 0.00 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 1xhh s VAL 28 CO 0.00 0.47 -0.25 -1.66 -0.31 0.00 0.00 175.10 173.35 1xhh s TRP 29 N 0.65 2.11 -0.20 2.82 -2.14 -1.04 -5.02 118.94 116.12 1xhh s TRP 29 Ca -0.02 -0.39 -0.04 0.00 2.66 0.00 0.00 56.10 58.31 1xhh s TRP 29 Cb -0.14 -1.14 0.09 0.00 -3.10 0.00 0.00 33.47 29.18 1xhh s TRP 29 CO 0.02 0.30 0.24 0.15 -2.66 0.00 0.00 176.95 175.00 1xhh s LYS 30 N -2.04 0.20 0.98 3.25 1.02 -1.26 -2.61 119.74 119.29 1xhh s LYS 30 Ca 0.12 0.29 -0.13 0.00 0.02 0.00 0.00 55.97 56.26 1xhh s LYS 30 Cb -0.10 -1.01 0.06 0.00 -0.52 0.00 0.00 37.83 36.27 1xhh s LYS 30 CO 0.06 -0.62 0.40 0.25 -0.92 0.00 0.00 175.35 174.52 1xhh n THR 31 N 5.33 0.00 0.13 2.17 -2.24 -0.45 -4.87 114.28 114.34 1xhh n THR 31 Ca -0.05 -0.20 -0.01 0.00 -2.27 0.00 0.00 64.05 61.52 1xhh n THR 31 Cb 0.50 -0.65 0.10 0.00 -2.10 0.00 0.00 70.33 68.18 1xhh n THR 31 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xhh h LYS 32 N -1.70 0.00 0.00 -0.78 3.64 -2.01 -3.42 116.57 112.30 1xhh h LYS 32 Ca -0.46 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.79 1xhh h LYS 32 Cb 1.30 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 33.00 1xhh h LYS 32 CO 0.36 0.65 -0.04 -3.47 -2.27 0.00 0.00 179.45 174.68 1xhh n ASP 33 N -3.52 -1.49 0.06 4.20 2.03 -1.26 -5.03 116.55 111.54 1xhh n ASP 33 Ca -0.00 -2.25 0.00 0.00 0.52 0.00 0.00 54.79 53.06 1xhh n ASP 33 Cb 0.70 1.28 0.00 0.00 -0.72 0.00 0.00 41.12 42.38 1xhh n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xhh s GLU 35 N -2.00 1.40 -0.04 0.00 2.12 -1.26 -3.88 118.70 115.03 1xhh s GLU 35 Ca 0.00 -1.06 -0.02 0.00 0.36 0.00 0.00 54.97 54.26 1xhh s GLU 35 Cb 0.00 0.48 0.03 0.00 0.26 0.00 0.00 34.13 34.90 1xhh s GLU 35 CO 0.00 -0.58 0.09 -1.21 -0.54 0.00 0.00 175.26 173.03 1xhh s GLU 36 N -3.94 0.04 -0.13 4.30 2.02 -1.04 -1.34 118.70 118.61 1xhh s GLU 36 Ca 0.15 0.26 -0.10 0.00 0.02 0.00 0.00 54.97 55.31 1xhh s GLU 36 Cb -0.00 -0.17 0.04 0.00 0.10 0.00 0.00 34.13 34.10 1xhh s GLU 36 CO 0.02 -0.14 0.32 0.00 0.02 0.00 0.00 175.26 175.48 1xhh s THR 38 N 0.66 0.88 -0.63 0.00 -4.23 0.39 -2.50 115.64 110.21 1xhh s THR 38 Ca -0.04 -1.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.42 1xhh s THR 38 Cb -0.05 -0.84 0.16 0.00 1.34 0.00 0.00 72.50 73.11 1xhh s THR 38 CO -0.04 -0.13 0.47 0.00 -0.54 0.00 0.00 174.62 174.37 1xhh s GLY 40 N 1.22 2.88 0.00 0.00 0.00 0.40 -4.86 107.32 106.95 1xhh s GLY 40 Ca 0.15 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.57 1xhh s GLY 40 CO -0.04 1.61 0.74 -1.06 0.00 0.00 0.00 173.10 174.35 1xhh n GLN 41 N 2.81 0.00 0.00 2.90 6.02 -1.26 -0.96 117.38 126.89 1xhh n GLN 41 Ca 0.03 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1xhh n GLN 41 Cb 0.48 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1xhh n GLN 41 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xhh n ASP 42 N -1.24 4.80 -2.78 1.08 -0.08 -1.26 -5.02 116.55 112.05 1xhh n ASP 42 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 1xhh n ASP 42 Cb 0.07 0.78 0.03 0.00 2.34 0.00 0.00 41.12 44.34 1xhh n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xhh n ALA 43 N -1.63 -1.80 -3.71 -1.67 0.00 -0.14 -3.83 120.51 107.73 1xhh n ALA 43 Ca 0.00 -1.24 -0.26 0.00 0.00 0.00 0.00 53.44 51.94 1xhh n ALA 43 Cb 0.18 0.98 -0.17 0.00 0.00 0.00 0.00 19.45 20.44 1xhh n ALA 43 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xhh s ILE 44 N -2.11 1.09 -0.20 0.00 1.01 -0.78 0.15 121.20 120.36 1xhh s ILE 44 Ca 0.16 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 1xhh s ILE 44 Cb -0.05 -1.06 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 1xhh s ILE 44 CO 0.11 0.36 -0.02 -0.55 0.00 0.00 0.00 174.94 174.85 1xhh s SER 45 N 1.22 4.64 -0.01 3.58 0.15 -0.94 -1.53 113.70 120.81 1xhh s SER 45 Ca -0.04 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.38 1xhh s SER 45 Cb -0.14 -1.79 -0.00 0.00 -1.71 0.00 0.00 66.02 62.38 1xhh s SER 45 CO -0.03 0.05 -0.08 0.00 1.20 0.00 0.00 173.24 174.38 1xhh s ASN 48 N -3.39 -0.05 -0.03 0.00 2.20 -1.26 -2.51 114.94 109.90 1xhh s ASN 48 Ca 0.30 0.20 0.08 0.00 -0.94 0.00 0.00 52.86 52.50 1xhh s ASN 48 Cb 0.05 0.10 -0.12 0.00 -2.00 0.00 0.00 41.25 39.29 1xhh s ASN 48 CO 0.11 -0.13 0.13 0.41 -2.94 0.00 0.00 177.10 174.68 1xhh n THR 49 N 4.07 0.17 -0.58 0.54 -1.04 -1.25 -4.92 114.28 111.26 1xhh n THR 49 Ca -0.25 -0.23 -0.30 0.00 -2.04 0.00 0.00 64.05 61.22 1xhh n THR 49 Cb 0.52 -0.06 0.21 0.00 -1.82 0.00 0.00 70.33 69.19 1xhh n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xhh n ALA 50 N -1.95 -2.99 -0.72 2.41 0.00 -1.25 -4.91 120.51 111.10 1xhh n ALA 50 Ca -0.05 -1.09 -0.32 0.00 0.00 0.00 0.00 53.44 51.98 1xhh n ALA 50 Cb 0.39 -1.87 0.15 0.00 0.00 0.00 0.00 19.45 18.12 1xhh n ALA 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xhh n ALA 51 N -4.63 -3.11 -2.82 0.00 0.00 -1.26 -4.99 120.51 103.69 1xhh n ALA 51 Ca 0.04 -0.90 -0.33 0.00 0.00 0.00 0.00 53.44 52.25 1xhh n ALA 51 Cb 0.56 -1.73 -0.13 0.00 0.00 0.00 0.00 19.45 18.15 1xhh n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xhh s ILE 52 N -2.35 3.20 0.04 0.00 -1.09 -0.36 -4.86 121.20 115.78 1xhh s ILE 52 Ca 0.58 -0.63 -0.32 0.00 -2.23 0.00 0.00 60.65 58.04 1xhh s ILE 52 Cb -0.18 -2.32 -0.11 0.00 -1.58 0.00 0.00 42.46 38.27 1xhh s ILE 52 CO 0.66 0.55 1.86 -2.65 -1.23 0.00 0.00 174.94 174.13 1xhh n PRO 53 N 3.01 2.57 -2.85 2.79 -0.01 -1.26 -2.40 135.00 136.85 1xhh n PRO 53 Ca -0.18 0.94 -0.15 0.00 -0.01 0.00 0.00 63.50 64.10 1xhh n PRO 53 Cb 0.53 -2.82 -0.00 0.00 -0.01 0.00 0.00 33.50 31.19 1xhh n PRO 53 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 175.50 175.74 1xhh n THR 54 N 4.92 0.00 -0.58 3.45 -2.24 -1.11 -4.53 114.28 114.18 1xhh n THR 54 Ca 0.20 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.78 1xhh n THR 54 Cb 0.35 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1xhh n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xhh n GLY 55 N 1.45 0.00 3.55 3.38 0.00 -1.26 -3.79 105.19 108.52 1xhh n GLY 55 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1xhh n GLY 55 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1xhh s TYR 56 N -0.86 2.81 -0.13 1.61 5.04 -1.26 -4.59 117.35 119.97 1xhh s TYR 56 Ca 0.00 0.21 -0.29 0.00 -2.44 0.00 0.00 57.07 54.56 1xhh s TYR 56 Cb 0.00 -4.11 -0.06 0.00 0.35 0.00 0.00 41.96 38.14 1xhh s TYR 56 CO 0.00 -1.29 2.13 -0.51 -1.34 0.00 0.00 175.55 174.54 1xhh s ASP 57 N 2.63 5.80 -1.03 4.32 1.01 -1.26 -4.82 116.67 123.32 1xhh s ASP 57 Ca 0.35 2.17 -0.24 0.00 0.71 0.00 0.00 52.55 55.54 1xhh s ASP 57 Cb -0.11 -2.52 -0.15 0.00 1.01 0.00 0.00 42.92 41.15 1xhh s ASP 57 CO 0.23 -1.65 1.95 0.35 0.21 0.00 0.00 175.17 176.27 1xhh n THR 58 N 6.98 1.35 -0.09 -1.27 -2.24 -1.26 -4.55 114.28 113.20 1xhh n THR 58 Ca 0.26 -1.36 -0.09 0.00 -2.27 0.00 0.00 64.05 60.60 1xhh n THR 58 Cb 0.44 -2.14 -0.03 0.00 -2.10 0.00 0.00 70.33 66.50 1xhh n THR 58 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xhh n ASN 59 N 14.38 1.91 -2.68 3.42 3.02 -1.26 -4.95 115.26 129.09 1xhh n ASN 59 Ca 0.45 0.41 -0.05 0.00 -0.03 0.00 0.00 54.58 55.36 1xhh n ASN 59 Cb 0.45 -0.78 0.07 0.00 -0.61 0.00 0.00 39.78 38.91 1xhh n ASN 59 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1xhh n LYS 60 N -4.49 0.51 -4.61 3.52 4.81 -1.26 -5.16 118.16 111.48 1xhh n LYS 60 Ca -0.14 -1.13 -0.28 0.00 -0.87 0.00 0.00 58.31 55.89 1xhh n LYS 60 Cb 0.47 -0.23 -0.08 0.00 0.02 0.00 0.00 35.03 35.20 1xhh n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xhh s GLN 62 N -3.77 0.83 -0.11 0.00 -0.21 0.17 -4.88 119.66 111.68 1xhh s GLN 62 Ca 0.17 -1.02 -0.01 0.00 0.02 0.00 0.00 55.36 54.52 1xhh s GLN 62 Cb 0.02 -0.74 -0.03 0.00 1.00 0.00 0.00 33.01 33.27 1xhh s GLN 62 CO 0.10 0.15 -0.05 0.15 -2.12 0.00 0.00 175.29 173.52 1xhh s LYS 63 N -2.07 3.21 -0.02 2.91 3.01 -1.26 -1.87 119.74 123.65 1xhh s LYS 63 Ca 0.00 -0.53 0.01 0.00 -1.01 0.00 0.00 55.97 54.44 1xhh s LYS 63 Cb -0.08 -2.76 0.01 0.00 -1.01 0.00 0.00 37.83 34.00 1xhh s LYS 63 CO 0.02 0.46 -0.01 0.42 0.51 0.00 0.00 175.35 176.75 1xhh s ILE 64 N -0.26 0.21 -0.30 2.17 1.01 -0.16 -4.98 121.20 118.90 1xhh s ILE 64 Ca 0.04 -0.01 -0.19 0.00 0.00 0.00 0.00 60.65 60.49 1xhh s ILE 64 Cb -0.13 -0.25 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 1xhh s ILE 64 CO 0.02 0.11 0.56 -0.22 0.00 0.00 0.00 174.94 175.42 1xhh s LEU 65 N 0.54 4.15 -0.62 2.97 0.20 -1.26 0.08 118.68 124.72 1xhh s LEU 65 Ca -0.05 0.37 -0.28 0.00 0.69 0.00 0.00 54.13 54.86 1xhh s LEU 65 Cb -0.08 -2.71 0.03 0.00 -0.43 0.00 0.00 46.19 43.00 1xhh s LEU 65 CO -0.01 -0.40 1.24 0.21 -0.29 0.00 0.00 176.35 177.10 1xhh s ASN 66 N 1.63 6.33 0.00 3.68 3.04 0.12 -4.84 114.94 124.91 1xhh s ASN 66 Ca 0.22 -0.04 0.20 0.00 0.04 0.00 0.00 52.86 53.28 1xhh s ASN 66 Cb -0.15 -2.55 0.98 0.00 -1.54 0.00 0.00 41.25 37.98 1xhh s ASN 66 CO 0.11 -1.61 1.62 2.29 -3.04 0.00 0.00 177.10 176.47 1xhh n LYS 67 N 8.74 0.26 0.04 0.43 -0.00 -1.26 -1.73 118.16 124.63 1xhh n LYS 67 Ca 0.07 0.11 -0.12 0.00 -0.00 0.00 0.00 58.31 58.37 1xhh n LYS 67 Cb 0.49 -1.50 -0.07 0.00 -0.00 0.00 0.00 35.03 33.95 1xhh n LYS 67 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1xhh h LYS 68 N 0.00 0.01 0.00 -1.58 3.64 -1.95 -3.30 116.57 113.39 1xhh h LYS 68 Ca 0.00 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1xhh h LYS 68 Cb 0.20 -0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.88 1xhh h LYS 68 CO 0.00 0.00 -0.61 0.25 -2.27 0.00 0.00 179.45 176.82 1xhh n THR 69 N -5.09 1.03 -3.24 1.00 -2.24 -1.21 -5.02 114.28 99.50 1xhh n THR 69 Ca -0.07 -1.78 -0.13 0.00 -2.27 0.00 0.00 64.05 59.80 1xhh n THR 69 Cb 0.03 0.32 0.01 0.00 -2.10 0.00 0.00 70.33 68.58 1xhh n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xhh s THR 71 N -2.69 0.08 -0.20 0.00 -4.23 -0.70 -4.99 115.64 102.90 1xhh s THR 71 Ca 0.11 -1.54 -0.04 0.00 -1.18 0.00 0.00 61.69 59.04 1xhh s THR 71 Cb -0.02 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.91 1xhh s THR 71 CO 0.81 -0.35 -0.02 -0.47 -0.54 0.00 0.00 174.62 174.04 1xhh s TYR 72 N -3.99 3.00 0.41 3.99 6.14 -1.26 0.14 117.35 125.79 1xhh s TYR 72 Ca 0.19 -0.61 0.07 0.00 0.64 0.00 0.00 57.07 57.36 1xhh s TYR 72 Cb 0.05 -2.08 -0.06 0.00 0.42 0.00 0.00 41.96 40.29 1xhh s TYR 72 CO 0.00 -0.33 0.12 0.95 0.64 0.00 0.00 175.55 176.94 1xhh s THR 73 N 1.11 2.19 -0.17 4.34 -4.23 0.11 -4.92 115.64 114.07 1xhh s THR 73 Ca 0.02 -1.80 -0.05 0.00 -1.18 0.00 0.00 61.69 58.68 1xhh s THR 73 Cb -0.14 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.79 1xhh s THR 73 CO 0.01 0.00 0.30 -0.69 -0.54 0.00 0.00 174.62 173.69 1xhh s VAL 74 N -2.64 -0.46 0.49 2.29 1.01 -1.26 -0.98 120.40 118.84 1xhh s VAL 74 Ca 0.39 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.57 1xhh s VAL 74 Cb 0.06 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.87 1xhh s VAL 74 CO 0.21 0.02 0.36 0.68 0.00 0.00 0.00 175.10 176.37 1xhh s VAL 75 N 2.45 2.04 0.03 2.92 -7.23 -0.78 -0.49 120.40 119.35 1xhh s VAL 75 Ca 0.04 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 1xhh s VAL 75 Cb -0.13 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 1xhh s VAL 75 CO -0.11 0.00 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.04 1xhh s GLU 76 N -4.18 2.58 0.42 4.82 2.02 -1.19 -0.66 118.70 122.51 1xhh s GLU 76 Ca 0.39 -0.75 0.13 0.00 0.02 0.00 0.00 54.97 54.76 1xhh s GLU 76 Cb -0.01 -2.54 0.98 0.00 0.10 0.00 0.00 34.13 32.65 1xhh s GLU 76 CO 0.23 0.58 1.96 0.87 0.02 0.00 0.00 175.26 178.93 1xhh h LYS 77 N 4.09 0.47 -0.54 1.61 1.79 -1.90 -0.06 116.57 122.02 1xhh h LYS 77 Ca -0.48 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 57.95 1xhh h LYS 77 Cb 1.17 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.71 1xhh h LYS 77 CO 0.56 0.31 0.01 1.63 -1.08 0.00 0.00 179.45 180.89 1xhh n LYS 78 N -4.48 4.57 -2.78 3.15 4.01 -1.26 -4.63 118.16 116.74 1xhh n LYS 78 Ca 0.11 -3.13 -0.09 0.00 -0.51 0.00 0.00 58.31 54.70 1xhh n LYS 78 Cb 0.38 -2.21 0.04 0.00 -0.51 0.00 0.00 35.03 32.73 1xhh n LYS 78 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1xhh n ASP 79 N 0.41 -2.77 -0.87 4.39 -0.08 -0.04 -4.99 116.55 112.60 1xhh n ASP 79 Ca 0.28 -3.23 0.00 0.00 -1.51 0.00 0.00 54.79 50.33 1xhh n ASP 79 Cb 1.17 1.67 0.00 0.00 2.34 0.00 0.00 41.12 46.30 1xhh n ASP 79 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1xhh n PRO 80 N 1.78 0.25 0.00 -0.67 -0.05 -1.22 -2.86 135.00 132.23 1xhh n PRO 80 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.56 1xhh n PRO 80 Cb 0.62 -1.31 0.00 0.00 -0.05 0.00 0.00 33.50 32.75 1xhh n PRO 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1xhh n GLY 81 N 0.75 0.00 3.75 0.55 0.00 -1.26 -4.90 105.19 104.08 1xhh n GLY 81 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1xhh n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xhh s LYS 82 N -1.75 4.82 0.36 1.61 -0.14 -1.14 -5.02 119.74 118.48 1xhh s LYS 82 Ca 0.00 1.46 -0.25 0.00 -1.36 0.00 0.00 55.97 55.82 1xhh s LYS 82 Cb 0.00 -3.22 -0.10 0.00 -1.68 0.00 0.00 37.83 32.83 1xhh s LYS 82 CO 0.00 0.49 0.99 0.99 -0.76 0.00 0.00 175.35 177.06 1xhh s THR 83 N -1.23 4.03 0.00 2.17 2.01 -1.26 -3.77 115.64 117.58 1xhh s THR 83 Ca 0.42 1.61 0.00 0.00 0.31 0.00 0.00 61.69 64.03 1xhh s THR 83 Cb -0.25 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.40 1xhh s THR 83 CO 0.31 0.07 0.00 0.00 -0.69 0.00 0.00 174.62 174.31 1xhh s ASP 85 N -1.13 7.21 0.30 0.00 -1.08 -1.26 -4.99 116.67 115.71 1xhh s ASP 85 Ca 0.00 1.86 0.03 0.00 -0.52 0.00 0.00 52.55 53.92 1xhh s ASP 85 Cb 0.00 -2.58 -0.06 0.00 -1.46 0.00 0.00 42.92 38.83 1xhh s ASP 85 CO 0.00 -0.38 0.06 -0.69 0.52 0.00 0.00 175.17 174.69 1xhh s VAL 86 N 1.02 0.99 0.00 1.11 1.01 -1.26 -4.70 120.40 118.56 1xhh s VAL 86 Ca 0.56 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.53 1xhh s VAL 86 Cb -0.26 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1xhh s VAL 86 CO 0.29 -0.03 0.00 0.41 0.00 0.00 0.00 175.10 175.77 1xhh n THR 87 N -0.60 0.00 -2.51 3.92 -1.04 -1.26 -4.93 114.28 107.87 1xhh n THR 87 Ca -0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1xhh n THR 87 Cb 0.66 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1xhh n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xhh n GLY 88 N 1.40 1.22 3.25 3.41 0.00 -1.25 -5.05 105.19 108.18 1xhh n GLY 88 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1xhh n GLY 88 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xhh s TRP 89 N -1.83 -0.36 0.04 1.61 0.51 -1.26 -2.76 118.94 114.88 1xhh s TRP 89 Ca 0.00 0.85 0.05 0.00 -2.12 0.00 0.00 56.10 54.88 1xhh s TRP 89 Cb 0.00 0.13 -0.02 0.00 -0.81 0.00 0.00 33.47 32.77 1xhh s TRP 89 CO 0.00 -0.23 -0.14 0.08 -0.51 0.00 0.00 176.95 176.15 1xhh s VAL 90 N -0.09 1.11 -0.62 4.03 1.01 -1.01 -4.89 120.40 119.93 1xhh s VAL 90 Ca -0.02 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1xhh s VAL 90 Cb -0.03 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.34 1xhh s VAL 90 CO 0.01 -0.03 0.16 -0.11 0.00 0.00 0.00 175.10 175.13