#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 -2.79 -0.56 -0.13 0.00 5.04 -0.88 -5.02 117.35 113.00 1xhh s TYR 3 Ca 0.00 1.08 -0.01 0.00 -2.44 0.00 0.00 57.07 55.70 1xhh s TYR 3 Cb 0.00 0.05 -0.02 0.00 0.35 0.00 0.00 41.96 42.34 1xhh s TYR 3 CO 0.00 -0.44 -0.10 -0.59 -1.34 0.00 0.00 175.55 173.08 1xhh s PHE 4 N 2.48 2.87 -0.10 4.97 -0.71 -1.26 -2.62 117.98 123.61 1xhh s PHE 4 Ca 0.02 -0.53 0.02 0.00 -1.04 0.00 0.00 56.93 55.40 1xhh s PHE 4 Cb -0.13 -1.87 -0.01 0.00 -1.21 0.00 0.00 43.02 39.80 1xhh s PHE 4 CO -0.11 -0.15 -0.16 0.42 -1.34 0.00 0.00 175.22 173.88 1xhh s ILE 5 N 0.32 2.79 0.61 -4.49 1.01 -0.79 -4.96 121.20 115.68 1xhh s ILE 5 Ca -0.08 -0.78 -0.19 0.00 0.00 0.00 0.00 60.65 59.60 1xhh s ILE 5 Cb -0.15 -2.12 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1xhh s ILE 5 CO 0.05 0.55 1.06 -2.65 0.00 0.00 0.00 174.94 173.94 1xhh n PRO 6 N 3.18 0.98 -1.48 2.79 -0.01 -1.26 -1.87 135.00 137.33 1xhh n PRO 6 Ca -0.18 0.38 -0.43 0.00 -0.01 0.00 0.00 63.50 63.27 1xhh n PRO 6 Cb 0.53 -2.27 -0.11 0.00 -0.01 0.00 0.00 33.50 31.64 1xhh n PRO 6 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 175.50 173.78 1xhh n ASN 7 N -1.02 1.06 -0.48 2.55 4.05 -0.99 -4.71 115.26 115.72 1xhh n ASN 7 Ca 0.14 0.08 0.12 0.00 0.45 0.00 0.00 54.58 55.37 1xhh n ASN 7 Cb 0.47 -1.13 0.46 0.00 1.23 0.00 0.00 39.78 40.81 1xhh n ASN 7 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xhh n GLN 8 N 8.50 1.64 -0.82 1.20 10.64 -1.26 -4.91 117.38 132.37 1xhh n GLN 8 Ca 0.55 -0.95 -0.31 0.00 -1.83 0.00 0.00 57.00 54.47 1xhh n GLN 8 Cb 0.18 -1.42 0.16 0.00 -0.86 0.00 0.00 30.24 28.30 1xhh n GLN 8 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1xhh s SER 9 N -1.73 2.99 0.32 2.61 0.15 -1.26 -4.90 113.70 111.88 1xhh s SER 9 Ca 0.35 1.99 0.10 0.00 0.70 0.00 0.00 55.95 59.09 1xhh s SER 9 Cb 0.19 -2.50 0.54 0.00 -1.71 0.00 0.00 66.02 62.53 1xhh s SER 9 CO 0.29 -3.02 1.72 -0.07 1.20 0.00 0.00 173.24 173.36 1xhh h LEU 10 N -1.81 0.06 -7.64 3.45 3.38 -2.00 -3.45 115.31 107.30 1xhh h LEU 10 Ca -0.46 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.41 1xhh h LEU 10 Cb 1.27 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.87 1xhh h LEU 10 CO 0.45 0.52 -0.25 -1.59 0.09 0.00 0.00 178.44 177.66 1xhh s LYS 11 N -3.99 0.93 0.00 1.13 -2.85 -1.26 -5.17 119.74 108.53 1xhh s LYS 11 Ca -0.03 -0.85 0.00 0.00 -1.00 0.00 0.00 55.97 54.10 1xhh s LYS 11 Cb 0.14 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 1xhh s LYS 11 CO 0.75 -0.33 0.00 -0.35 0.10 0.00 0.00 175.35 175.52 1xhh n PRO 12 N -0.10 -0.30 -3.77 1.78 -0.04 -1.26 -4.18 135.00 127.12 1xhh n PRO 12 Ca -0.16 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.02 1xhh n PRO 12 Cb 0.63 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.12 1xhh n PRO 12 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xhh n ASN 13 N -1.57 -5.15 -3.49 3.54 5.15 -1.26 -4.94 115.26 107.54 1xhh n ASN 13 Ca 0.00 -0.68 -0.12 0.00 -0.60 0.00 0.00 54.58 53.18 1xhh n ASN 13 Cb 0.00 -4.10 -0.04 0.00 -0.53 0.00 0.00 39.78 35.11 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1xhh s GLU 14 N -6.48 1.80 -0.45 1.20 2.02 -1.26 -2.87 118.70 112.66 1xhh s GLU 14 Ca 0.62 -1.56 0.07 0.00 0.02 0.00 0.00 54.97 54.11 1xhh s GLU 14 Cb -0.30 0.46 0.30 0.00 0.10 0.00 0.00 34.13 34.69 1xhh s GLU 14 CO 0.76 -0.75 0.97 0.00 0.02 0.00 0.00 175.26 176.26 1xhh s GLN 16 N -0.06 3.46 -0.16 0.00 -0.21 -1.26 -3.90 119.66 117.54 1xhh s GLN 16 Ca 0.28 -0.43 -0.14 0.00 0.02 0.00 0.00 55.36 55.09 1xhh s GLN 16 Cb 0.27 -2.99 0.04 0.00 1.00 0.00 0.00 33.01 31.34 1xhh s GLN 16 CO -0.11 0.56 0.42 0.34 -2.12 0.00 0.00 175.29 174.38 1xhh s ASP 17 N -2.71 -0.46 0.82 5.90 2.15 -1.08 -4.58 116.67 116.71 1xhh s ASP 17 Ca 0.36 0.86 0.00 0.00 0.43 0.00 0.00 52.55 54.20 1xhh s ASP 17 Cb -0.12 0.85 0.00 0.00 -0.30 0.00 0.00 42.92 43.34 1xhh s ASP 17 CO 0.28 -0.16 0.00 0.18 -0.17 0.00 0.00 175.17 175.30 1xhh n LEU 18 N 3.13 0.00 -0.00 -1.34 4.77 -1.26 -2.27 117.00 120.03 1xhh n LEU 18 Ca -0.15 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.85 1xhh n LEU 18 Cb 0.57 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1xhh n LEU 18 CO 0.12 0.00 -0.16 0.29 -1.33 0.00 0.00 177.39 176.30 1xhh n LYS 19 N 11.78 3.92 -0.05 3.23 4.76 -1.26 -4.69 118.16 135.85 1xhh n LYS 19 Ca 0.00 -0.01 -0.21 0.00 -2.87 0.00 0.00 58.31 55.22 1xhh n LYS 19 Cb 0.00 -0.84 -0.13 0.00 -1.84 0.00 0.00 35.03 32.22 1xhh n LYS 19 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1xhh h GLY 20 N 1.11 0.14 -3.99 0.72 0.00 -1.89 -3.44 103.07 95.71 1xhh h GLY 20 Ca 0.00 -0.35 -0.51 0.00 0.00 0.00 0.00 47.33 46.47 1xhh h GLY 20 CO 0.00 0.31 0.49 0.14 0.00 0.00 0.00 176.54 177.47 1xhh s VAL 21 N -2.42 3.69 -0.34 4.60 1.01 -0.96 -4.97 120.40 121.00 1xhh s VAL 21 Ca -0.24 1.53 -0.07 0.00 0.00 0.00 0.00 61.98 63.20 1xhh s VAL 21 Cb 0.05 -3.98 0.20 0.00 0.00 0.00 0.00 36.38 32.65 1xhh s VAL 21 CO 0.68 0.30 1.04 -0.44 0.00 0.00 0.00 175.10 176.68 1xhh s SER 22 N -0.35 -0.40 0.10 3.32 0.01 -1.26 -2.65 113.70 112.48 1xhh s SER 22 Ca 0.48 -0.32 -0.13 0.00 1.31 0.00 0.00 55.95 57.29 1xhh s SER 22 Cb -0.31 0.52 0.02 0.00 0.21 0.00 0.00 66.02 66.46 1xhh s SER 22 CO 0.37 -0.03 0.30 -1.00 0.41 0.00 0.00 173.24 173.29 1xhh s HIS 23 N 1.51 -0.04 0.98 2.43 3.76 -1.25 -4.98 115.29 117.70 1xhh s HIS 23 Ca 0.19 -0.31 -0.12 0.00 -0.15 0.00 0.00 55.06 54.67 1xhh s HIS 23 Cb 0.07 0.10 0.14 0.00 1.11 0.00 0.00 32.58 34.01 1xhh s HIS 23 CO -0.12 -0.62 0.90 -0.35 -0.85 0.00 0.00 174.74 173.70 1xhh n PRO 24 N -0.09 -0.82 -1.50 8.40 -0.04 -1.26 -1.39 135.00 138.30 1xhh n PRO 24 Ca -0.16 -0.19 -0.16 0.00 -0.04 0.00 0.00 63.50 62.95 1xhh n PRO 24 Cb 0.63 -2.19 -0.14 0.00 -0.04 0.00 0.00 33.50 31.76 1xhh n PRO 24 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1xhh n LEU 25 N -3.58 0.12 0.00 1.53 0.00 -1.14 -4.22 117.00 109.72 1xhh n LEU 25 Ca 0.09 -1.13 0.00 0.00 0.00 0.00 0.00 56.01 54.97 1xhh n LEU 25 Cb 0.53 -1.11 0.00 0.00 0.00 0.00 0.00 43.42 42.84 1xhh n LEU 25 CO 0.51 -2.12 0.01 0.59 0.00 0.00 0.00 177.39 176.38 1xhh n ASN 26 N 12.22 0.00 0.00 1.96 4.13 -1.26 -4.92 115.26 127.39 1xhh n ASN 26 Ca 0.53 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.82 1xhh n ASN 26 Cb 0.31 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.55 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 -0.04 0.00 -4.51 6.41 3.41 -1.26 -5.13 113.62 112.50 1xhh n SER 27 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 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 -1.94 3.86 -0.02 -3.33 -7.23 -1.26 -3.86 120.40 106.61 1xhh s VAL 28 Ca 0.00 -0.38 -0.02 0.00 -1.81 0.00 0.00 61.98 59.77 1xhh s VAL 28 Cb 0.00 -2.67 0.01 0.00 0.56 0.00 0.00 36.38 34.28 1xhh s VAL 28 CO 0.00 0.51 0.06 -1.66 -0.31 0.00 0.00 175.10 173.70 1xhh s TRP 29 N 0.14 -0.06 0.09 2.82 -2.14 -1.07 -5.02 118.94 113.70 1xhh s TRP 29 Ca -0.02 0.17 0.04 0.00 2.66 0.00 0.00 56.10 58.96 1xhh s TRP 29 Cb -0.14 -0.01 -0.03 0.00 -3.10 0.00 0.00 33.47 30.19 1xhh s TRP 29 CO 0.03 -0.04 -0.11 0.15 -2.66 0.00 0.00 176.95 174.31 1xhh s LYS 30 N 0.18 0.85 0.29 3.25 1.02 -1.26 -2.65 119.74 121.42 1xhh s LYS 30 Ca -0.01 -1.11 0.02 0.00 0.02 0.00 0.00 55.97 54.88 1xhh s LYS 30 Cb -0.02 -0.63 0.02 0.00 -0.52 0.00 0.00 37.83 36.67 1xhh s LYS 30 CO -0.01 0.11 0.13 0.25 -0.92 0.00 0.00 175.35 174.92 1xhh n THR 31 N 0.73 0.00 -3.64 2.17 -2.24 -0.31 -5.00 114.28 105.99 1xhh n THR 31 Ca -0.17 -1.23 -0.39 0.00 -2.27 0.00 0.00 64.05 59.98 1xhh n THR 31 Cb 0.57 -0.03 -0.09 0.00 -2.10 0.00 0.00 70.33 68.68 1xhh n THR 31 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1xhh s LYS 32 N -3.13 2.48 -0.94 -0.78 2.20 -1.26 -4.65 119.74 113.66 1xhh s LYS 32 Ca 0.10 -2.07 -0.00 0.00 -0.36 0.00 0.00 55.97 53.64 1xhh s LYS 32 Cb -0.01 -3.83 -0.00 0.00 -1.51 0.00 0.00 37.83 32.48 1xhh s LYS 32 CO 0.06 -1.17 0.79 -3.47 -0.36 0.00 0.00 175.35 171.20 1xhh n ASP 33 N 4.33 -2.29 0.12 1.43 2.03 -1.26 -4.87 116.55 116.04 1xhh n ASP 33 Ca 0.00 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.82 1xhh n ASP 33 Cb 0.41 -4.16 0.00 0.00 -0.72 0.00 0.00 41.12 36.64 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 1.32 -0.29 0.00 2.12 -1.26 -3.60 118.70 114.98 1xhh s GLU 35 Ca 0.00 -0.51 0.01 0.00 0.36 0.00 0.00 54.97 54.83 1xhh s GLU 35 Cb 0.00 0.59 0.15 0.00 0.26 0.00 0.00 34.13 35.13 1xhh s GLU 35 CO 0.00 -0.58 0.36 -1.21 -0.54 0.00 0.00 175.26 173.30 1xhh s GLU 36 N -3.76 0.38 -0.07 4.30 2.02 -0.39 -1.17 118.70 120.02 1xhh s GLU 36 Ca 0.02 -0.00 0.05 0.00 0.02 0.00 0.00 54.97 55.06 1xhh s GLU 36 Cb -0.01 -0.45 -0.01 0.00 0.10 0.00 0.00 34.13 33.76 1xhh s GLU 36 CO -0.11 -1.04 -0.24 0.00 0.02 0.00 0.00 175.26 173.89 1xhh s THR 38 N 0.06 1.65 -0.58 0.00 -4.23 0.17 -2.58 115.64 110.13 1xhh s THR 38 Ca -0.10 -1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 58.47 1xhh s THR 38 Cb -0.15 -1.77 0.15 0.00 1.34 0.00 0.00 72.50 72.07 1xhh s THR 38 CO 0.06 -0.38 0.42 0.00 -0.54 0.00 0.00 174.62 174.18 1xhh s GLY 40 N 1.49 2.82 0.00 0.00 0.00 0.25 -4.86 107.32 107.02 1xhh s GLY 40 Ca 0.13 0.62 0.00 0.00 0.00 0.00 0.00 44.72 45.47 1xhh s GLY 40 CO -0.04 1.72 0.57 -1.06 0.00 0.00 0.00 173.10 174.30 1xhh n GLN 41 N 3.64 0.00 0.00 2.90 6.02 -1.26 -0.91 117.38 127.77 1xhh n GLN 41 Ca 0.06 0.15 0.00 0.00 -0.01 0.00 0.00 57.00 57.19 1xhh n GLN 41 Cb 0.50 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.21 1xhh n GLN 41 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1xhh n ASP 42 N -1.07 3.49 -3.52 1.08 9.92 -1.26 -4.99 116.55 120.19 1xhh n ASP 42 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1xhh n ASP 42 Cb 0.04 0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 41.07 1xhh n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xhh s ALA 43 N -1.51 -1.55 -0.17 2.24 0.00 -0.09 -2.34 121.76 118.34 1xhh s ALA 43 Ca 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 51.96 52.31 1xhh s ALA 43 Cb 0.00 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 1xhh s ALA 43 CO 0.00 -0.82 -0.05 0.42 0.00 0.00 0.00 175.76 175.30 1xhh s ILE 44 N -3.70 3.62 -0.19 0.00 1.01 -0.78 0.85 121.20 122.00 1xhh s ILE 44 Ca 0.04 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1xhh s ILE 44 Cb -0.02 -2.59 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 1xhh s ILE 44 CO -0.08 0.48 -0.01 -0.44 0.00 0.00 0.00 174.94 174.88 1xhh s SER 45 N 0.63 4.74 -0.06 3.58 0.01 -1.01 -1.89 113.70 119.70 1xhh s SER 45 Ca -0.03 -0.22 0.02 0.00 1.31 0.00 0.00 55.95 57.03 1xhh s SER 45 Cb -0.15 -1.80 0.01 0.00 0.21 0.00 0.00 66.02 64.30 1xhh s SER 45 CO 0.02 0.07 -0.10 0.00 0.41 0.00 0.00 173.24 173.64 1xhh s ASN 48 N 0.43 4.79 0.00 0.00 2.20 -1.26 -1.26 114.94 119.84 1xhh s ASN 48 Ca -0.11 -0.28 0.00 0.00 -0.94 0.00 0.00 52.86 51.53 1xhh s ASN 48 Cb -0.14 -1.06 0.00 0.00 -2.00 0.00 0.00 41.25 38.05 1xhh s ASN 48 CO 0.03 0.16 0.01 0.35 -2.94 0.00 0.00 177.10 174.71 1xhh n THR 49 N 0.48 0.00 -1.85 0.54 -2.24 -1.24 -4.92 114.28 105.05 1xhh n THR 49 Ca -0.11 -0.23 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 1xhh n THR 49 Cb 0.53 1.01 0.09 0.00 -2.10 0.00 0.00 70.33 69.86 1xhh n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xhh s ALA 50 N -0.45 2.59 1.04 6.98 0.00 -1.26 -4.95 121.76 125.71 1xhh s ALA 50 Ca 0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 51.96 51.19 1xhh s ALA 50 Cb 0.00 -2.99 -0.00 0.00 0.00 0.00 0.00 23.12 20.13 1xhh s ALA 50 CO 0.00 -1.64 -0.55 0.00 0.00 0.00 0.00 175.76 173.57 1xhh n ALA 51 N -3.31 -4.02 -3.31 0.00 0.00 -1.26 -4.99 120.51 103.61 1xhh n ALA 51 Ca 0.08 -1.26 -0.23 0.00 0.00 0.00 0.00 53.44 52.03 1xhh n ALA 51 Cb 0.60 -1.10 -0.16 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.12 1.01 0.36 0.00 1.09 -0.74 -4.88 121.20 115.92 1xhh s ILE 52 Ca 0.44 -0.43 -0.28 0.00 -1.10 0.00 0.00 60.65 59.27 1xhh s ILE 52 Cb -0.02 -0.92 -0.11 0.00 -1.06 0.00 0.00 42.46 40.35 1xhh s ILE 52 CO 0.59 0.32 1.46 -2.65 -0.10 0.00 0.00 174.94 174.56 1xhh n PRO 53 N 3.63 2.56 -3.12 2.79 -0.01 -1.26 -2.58 135.00 137.01 1xhh n PRO 53 Ca -0.22 0.90 -0.10 0.00 -0.01 0.00 0.00 63.50 64.08 1xhh n PRO 53 Cb 0.52 -2.61 -0.04 0.00 -0.01 0.00 0.00 33.50 31.37 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 0.66 0.00 0.00 3.45 -2.24 -0.80 -4.85 114.28 110.50 1xhh n THR 54 Ca 0.03 -1.22 0.00 0.00 -2.27 0.00 0.00 64.05 60.59 1xhh n THR 54 Cb 0.38 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 -0.34 1.34 3.70 3.38 0.00 -1.26 -3.30 105.19 108.70 1xhh n GLY 55 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1xhh n GLY 55 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1xhh s TYR 56 N -0.01 3.12 0.14 1.61 -0.85 -1.26 -4.79 117.35 115.30 1xhh s TYR 56 Ca 0.00 1.07 -0.32 0.00 -0.52 0.00 0.00 57.07 57.30 1xhh s TYR 56 Cb 0.00 -3.53 -0.12 0.00 0.38 0.00 0.00 41.96 38.69 1xhh s TYR 56 CO 0.00 -1.80 1.77 -0.40 -1.52 0.00 0.00 175.55 173.60 1xhh n ASP 57 N 4.90 3.86 -3.74 -0.18 5.75 -1.26 -4.87 116.55 121.01 1xhh n ASP 57 Ca 0.11 1.02 -0.42 0.00 -0.01 0.00 0.00 54.79 55.50 1xhh n ASP 57 Cb 0.45 -1.53 0.00 0.00 -1.03 0.00 0.00 41.12 39.02 1xhh n ASP 57 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1xhh n THR 58 N 4.32 4.64 0.06 2.12 -2.24 -1.26 -4.62 114.28 117.30 1xhh n THR 58 Ca 0.18 -4.39 -0.20 0.00 -2.27 0.00 0.00 64.05 57.36 1xhh n THR 58 Cb 0.35 -2.27 -0.15 0.00 -2.10 0.00 0.00 70.33 66.16 1xhh n THR 58 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 1xhh h ASN 59 N 5.38 0.51 0.00 3.42 -0.73 -2.02 -3.44 115.58 118.70 1xhh h ASN 59 Ca 0.49 -0.77 -0.12 0.00 1.87 0.00 0.00 56.30 57.77 1xhh h ASN 59 Cb 0.53 -0.17 -0.13 0.00 0.27 0.00 0.00 38.32 38.82 1xhh h ASN 59 CO 1.58 1.65 -0.14 1.17 -0.37 0.00 0.00 177.43 181.32 1xhh n LYS 60 N -3.52 0.33 -4.08 6.67 4.81 -1.26 -5.16 118.16 115.95 1xhh n LYS 60 Ca -0.22 -1.00 -0.10 0.00 -0.87 0.00 0.00 58.31 56.11 1xhh n LYS 60 Cb 1.06 -0.53 -0.07 0.00 0.02 0.00 0.00 35.03 35.51 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 -4.02 1.85 -0.21 0.00 1.11 -0.21 -4.91 119.66 113.27 1xhh s GLN 62 Ca 0.29 -2.10 0.01 0.00 0.01 0.00 0.00 55.36 53.57 1xhh s GLN 62 Cb 0.02 -0.81 0.03 0.00 -1.01 0.00 0.00 33.01 31.25 1xhh s GLN 62 CO 0.11 -0.35 -0.16 0.15 0.01 0.00 0.00 175.29 175.04 1xhh s LYS 63 N -3.80 2.74 -0.15 2.91 1.02 -1.26 -2.43 119.74 118.77 1xhh s LYS 63 Ca 0.27 -1.01 -0.03 0.00 0.02 0.00 0.00 55.97 55.22 1xhh s LYS 63 Cb 0.05 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 1xhh s LYS 63 CO 0.14 -0.34 -0.04 0.42 -0.92 0.00 0.00 175.35 174.60 1xhh s ILE 64 N 1.23 3.83 -0.37 2.17 -1.09 0.02 -4.94 121.20 122.06 1xhh s ILE 64 Ca 0.00 -0.38 -0.11 0.00 -2.23 0.00 0.00 60.65 57.93 1xhh s ILE 64 Cb -0.16 -2.67 0.02 0.00 -1.58 0.00 0.00 42.46 38.07 1xhh s ILE 64 CO -0.10 0.50 0.20 -0.22 -1.23 0.00 0.00 174.94 174.09 1xhh s LEU 65 N 0.33 4.64 0.02 2.97 0.20 -1.26 -0.04 118.68 125.54 1xhh s LEU 65 Ca -0.04 -0.92 -0.30 0.00 0.69 0.00 0.00 54.13 53.56 1xhh s LEU 65 Cb -0.14 -2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 43.55 1xhh s LEU 65 CO 0.03 -0.36 0.96 0.20 -0.29 0.00 0.00 176.35 176.89 1xhh s ASN 66 N 1.57 7.38 0.00 3.68 0.01 -0.84 -4.92 114.94 121.83 1xhh s ASN 66 Ca 0.02 1.67 0.26 0.00 -0.71 0.00 0.00 52.86 54.11 1xhh s ASN 66 Cb -0.19 -2.57 0.76 0.00 0.41 0.00 0.00 41.25 39.66 1xhh s ASN 66 CO 0.07 -0.20 1.57 2.29 -1.51 0.00 0.00 177.10 179.31 1xhh n LYS 67 N 3.62 1.03 -0.06 -0.60 0.00 -1.26 -2.30 118.16 118.59 1xhh n LYS 67 Ca 0.05 -0.63 -0.09 0.00 -0.00 0.00 0.00 58.31 57.64 1xhh n LYS 67 Cb 0.51 -1.49 -0.02 0.00 -0.00 0.00 0.00 35.03 34.03 1xhh n LYS 67 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1xhh h LYS 68 N 1.54 0.23 0.00 -1.58 6.56 -1.96 -3.28 116.57 118.08 1xhh h LYS 68 Ca 0.00 -0.01 -0.05 0.00 -1.06 0.00 0.00 60.65 59.53 1xhh h LYS 68 Cb 0.53 -0.05 -0.11 0.00 -0.57 0.00 0.00 32.23 32.03 1xhh h LYS 68 CO 0.00 0.15 -0.54 0.25 -2.06 0.00 0.00 179.45 177.26 1xhh n THR 69 N -5.00 0.97 -3.18 -0.16 -2.24 -1.26 -5.04 114.28 98.37 1xhh n THR 69 Ca -0.02 -1.58 -0.23 0.00 -2.27 0.00 0.00 64.05 59.95 1xhh n THR 69 Cb 0.07 0.29 0.02 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.00 0.04 0.12 0.00 -1.32 -0.97 -5.03 115.64 106.48 1xhh s THR 71 Ca 0.31 -1.29 0.06 0.00 -1.21 0.00 0.00 61.69 59.56 1xhh s THR 71 Cb -0.05 -1.91 -0.04 0.00 -1.51 0.00 0.00 72.50 68.99 1xhh s THR 71 CO 0.81 -0.17 -0.03 -0.31 -2.21 0.00 0.00 174.62 172.72 1xhh s TYR 72 N -3.97 2.88 0.23 9.09 2.02 -1.26 -1.98 117.35 124.35 1xhh s TYR 72 Ca 0.18 -0.10 -0.07 0.00 -0.37 0.00 0.00 57.07 56.72 1xhh s TYR 72 Cb 0.01 -1.46 -0.02 0.00 -0.40 0.00 0.00 41.96 40.09 1xhh s TYR 72 CO 0.02 0.48 0.31 0.95 -1.57 0.00 0.00 175.55 175.74 1xhh s THR 73 N -1.41 0.00 -0.05 -0.71 -4.23 0.94 -4.91 115.64 105.26 1xhh s THR 73 Ca 0.25 -1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 59.04 1xhh s THR 73 Cb -0.11 -2.36 0.03 0.00 1.34 0.00 0.00 72.50 71.40 1xhh s THR 73 CO 0.17 0.00 0.03 -0.69 -0.54 0.00 0.00 174.62 173.59 1xhh s VAL 74 N -4.06 0.11 0.42 2.29 1.01 -1.26 -0.80 120.40 118.12 1xhh s VAL 74 Ca 0.31 0.27 0.07 0.00 0.00 0.00 0.00 61.98 62.64 1xhh s VAL 74 Cb 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.07 1xhh s VAL 74 CO 0.11 0.21 0.31 0.68 0.00 0.00 0.00 175.10 176.40 1xhh s VAL 75 N 1.98 2.45 -0.04 2.92 -7.23 -1.02 0.53 120.40 119.99 1xhh s VAL 75 Ca 0.04 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 1xhh s VAL 75 Cb -0.12 -2.94 -0.03 0.00 0.56 0.00 0.00 36.38 33.85 1xhh s VAL 75 CO -0.04 0.00 -0.05 -0.70 -0.31 0.00 0.00 175.10 174.01 1xhh s GLU 76 N -4.06 2.75 0.40 4.82 2.12 -1.20 -1.04 118.70 122.48 1xhh s GLU 76 Ca 0.44 -0.57 0.08 0.00 0.36 0.00 0.00 54.97 55.28 1xhh s GLU 76 Cb -0.00 -2.61 0.84 0.00 0.26 0.00 0.00 34.13 32.61 1xhh s GLU 76 CO 0.25 0.65 2.02 0.87 -0.54 0.00 0.00 175.26 178.52 1xhh h LYS 77 N 4.94 0.46 -0.10 4.30 1.79 -1.91 -0.54 116.57 125.51 1xhh h LYS 77 Ca -0.49 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 1xhh h LYS 77 Cb 1.18 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.73 1xhh h LYS 77 CO 0.54 0.36 0.00 1.17 -1.08 0.00 0.00 179.45 180.44 1xhh n LYS 78 N -4.43 1.82 -3.01 3.15 4.81 -1.26 -4.47 118.16 114.77 1xhh n LYS 78 Ca 0.02 -1.21 -0.17 0.00 -0.87 0.00 0.00 58.31 56.08 1xhh n LYS 78 Cb 0.12 -1.45 -0.02 0.00 0.02 0.00 0.00 35.03 33.69 1xhh n LYS 78 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xhh n ASP 79 N 0.45 -1.34 -0.77 3.14 -0.08 -0.23 -4.98 116.55 112.75 1xhh n ASP 79 Ca 0.17 -2.90 0.00 0.00 -1.51 0.00 0.00 54.79 50.56 1xhh n ASP 79 Cb 0.39 0.48 0.00 0.00 2.34 0.00 0.00 41.12 44.33 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 1.79 0.24 0.00 -0.67 -0.05 -1.09 -2.56 135.00 132.65 1xhh n PRO 80 Ca 0.17 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.62 1xhh n PRO 80 Cb 0.56 -1.26 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 0.65 0.00 3.87 0.55 0.00 -1.26 -4.84 105.19 104.15 1xhh n GLY 81 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.46 3.83 0.33 1.61 1.02 -1.06 -5.04 119.74 118.97 1xhh s LYS 82 Ca 0.00 0.48 -0.20 0.00 0.02 0.00 0.00 55.97 56.27 1xhh s LYS 82 Cb 0.00 -2.43 -0.10 0.00 -0.52 0.00 0.00 37.83 34.78 1xhh s LYS 82 CO 0.00 0.05 0.84 0.95 -0.92 0.00 0.00 175.35 176.27 1xhh s THR 83 N -2.22 4.47 0.84 2.17 -4.23 -1.26 -3.71 115.64 111.71 1xhh s THR 83 Ca 0.51 1.37 -0.12 0.00 -1.18 0.00 0.00 61.69 62.27 1xhh s THR 83 Cb -0.10 -3.75 0.11 0.00 1.34 0.00 0.00 72.50 70.10 1xhh s THR 83 CO 0.27 -0.06 1.20 0.00 -0.54 0.00 0.00 174.62 175.49 1xhh n ASP 85 N -3.39 2.16 -4.33 0.00 9.92 -1.26 -4.89 116.55 114.75 1xhh n ASP 85 Ca 0.10 1.12 -0.17 0.00 -0.53 0.00 0.00 54.79 55.31 1xhh n ASP 85 Cb 0.60 -1.44 -0.10 0.00 -0.64 0.00 0.00 41.12 39.54 1xhh n ASP 85 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1xhh s VAL 86 N -1.18 1.10 0.00 2.53 1.01 -1.26 -4.78 120.40 117.83 1xhh s VAL 86 Ca 0.60 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 60.53 1xhh s VAL 86 Cb -0.56 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1xhh s VAL 86 CO 0.59 -0.35 0.00 0.41 0.00 0.00 0.00 175.10 175.75 1xhh n THR 87 N -0.42 0.00 -0.21 3.92 -1.04 -1.26 -4.79 114.28 110.49 1xhh n THR 87 Ca -0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1xhh n THR 87 Cb 0.64 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.93 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 1.35 -1.20 3.47 3.41 0.00 -1.21 -4.99 105.19 106.02 1xhh n GLY 88 Ca 0.00 -1.02 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.07 2.23 -0.07 1.61 0.51 -1.26 -1.90 118.94 118.00 1xhh s TRP 89 Ca 0.00 -0.41 -0.03 0.00 -2.12 0.00 0.00 56.10 53.54 1xhh s TRP 89 Cb 0.00 -1.05 0.04 0.00 -0.81 0.00 0.00 33.47 31.65 1xhh s TRP 89 CO 0.00 0.63 0.15 0.08 -0.51 0.00 0.00 176.95 177.30 1xhh s VAL 90 N -2.60 -0.11 -2.00 4.03 1.01 -1.07 -4.87 120.40 114.80 1xhh s VAL 90 Ca 0.30 0.23 0.04 0.00 0.00 0.00 0.00 61.98 62.54 1xhh s VAL 90 Cb -0.03 -0.26 0.11 0.00 0.00 0.00 0.00 36.38 36.20 1xhh s VAL 90 CO 0.14 0.10 0.70 -0.11 0.00 0.00 0.00 175.10 175.93