#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 -3.26 -0.10 -0.07 0.00 5.04 -1.07 -5.03 117.35 112.86 1xhh s TYR 3 Ca 0.62 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 55.18 1xhh s TYR 3 Cb -0.10 0.10 -0.03 0.00 0.35 0.00 0.00 41.96 42.28 1xhh s TYR 3 CO 0.45 -0.52 -0.06 -0.06 -1.34 0.00 0.00 175.55 174.02 1xhh s PHE 4 N -2.73 2.97 -0.14 4.97 0.40 -1.26 -2.59 117.98 119.59 1xhh s PHE 4 Ca -0.04 0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.33 1xhh s PHE 4 Cb -0.00 -1.73 0.02 0.00 0.51 0.00 0.00 43.02 41.82 1xhh s PHE 4 CO -0.04 0.34 -0.14 0.42 0.70 0.00 0.00 175.22 176.50 1xhh s ILE 5 N -0.78 1.51 0.14 0.64 -1.09 0.35 -5.01 121.20 116.96 1xhh s ILE 5 Ca 0.12 -0.60 -0.31 0.00 -2.23 0.00 0.00 60.65 57.63 1xhh s ILE 5 Cb -0.11 -1.43 -0.11 0.00 -1.58 0.00 0.00 42.46 39.24 1xhh s ILE 5 CO 0.02 0.45 1.82 -2.84 -1.23 0.00 0.00 174.94 173.15 1xhh s PRO 6 N 1.48 4.13 -0.33 2.79 0.01 -1.26 -1.25 135.00 140.57 1xhh s PRO 6 Ca 0.04 2.60 -0.39 0.00 0.01 0.00 0.00 61.00 63.27 1xhh s PRO 6 Cb -0.13 -3.51 -0.15 0.00 0.01 0.00 0.00 34.50 30.72 1xhh s PRO 6 CO -0.10 -0.83 1.94 -1.71 0.01 0.00 0.00 177.00 176.31 1xhh n ASN 7 N 5.41 2.11 0.18 2.53 5.15 -1.26 -4.79 115.26 124.59 1xhh n ASN 7 Ca 0.17 0.81 0.09 0.00 -0.60 0.00 0.00 54.58 55.05 1xhh n ASN 7 Cb 0.38 -1.15 0.11 0.00 -0.53 0.00 0.00 39.78 38.58 1xhh n ASN 7 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1xhh h GLN 8 N 9.16 0.00 -6.21 1.20 7.50 -1.88 -3.46 115.11 121.41 1xhh h GLN 8 Ca -0.36 0.00 -0.33 0.00 0.50 0.00 0.00 58.65 58.46 1xhh h GLN 8 Cb 1.33 0.00 0.18 0.00 0.05 0.00 0.00 27.48 29.04 1xhh h GLN 8 CO 1.00 0.15 -0.93 0.45 -1.50 0.00 0.00 178.83 177.99 1xhh n SER 9 N -3.09 -2.73 0.00 1.46 2.88 -1.26 -4.98 113.62 105.89 1xhh n SER 9 Ca 0.03 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1xhh n SER 9 Cb 0.60 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 1xhh n SER 9 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1xhh n LEU 10 N -0.51 0.54 -4.88 2.46 4.77 -1.26 -4.97 117.00 113.15 1xhh n LEU 10 Ca 0.02 0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 55.75 1xhh n LEU 10 Cb 0.49 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1xhh n LEU 10 CO 0.36 -0.24 0.06 -0.54 -1.33 0.00 0.00 177.39 175.71 1xhh s LYS 11 N -0.47 3.71 0.00 3.23 -0.14 -1.26 -5.09 119.74 119.72 1xhh s LYS 11 Ca 0.00 0.09 0.00 0.00 -1.36 0.00 0.00 55.97 54.70 1xhh s LYS 11 Cb 0.00 -2.93 0.00 0.00 -1.68 0.00 0.00 37.83 33.22 1xhh s LYS 11 CO 0.00 0.52 0.00 -0.35 -0.76 0.00 0.00 175.35 174.76 1xhh n PRO 12 N 0.59 2.29 -3.76 -1.68 -0.04 -1.26 -4.49 135.00 126.65 1xhh n PRO 12 Ca -0.06 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.13 1xhh n PRO 12 Cb 0.52 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.03 1xhh n PRO 12 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1xhh n ASN 13 N 0.00 -5.48 -3.63 3.54 3.02 -1.26 -4.93 115.26 106.53 1xhh n ASN 13 Ca 0.00 -0.67 -0.01 0.00 -0.03 0.00 0.00 54.58 53.87 1xhh n ASN 13 Cb 0.00 -4.34 -0.01 0.00 -0.61 0.00 0.00 39.78 34.82 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1xhh s GLU 14 N -6.47 0.52 -0.39 3.52 -1.05 -1.26 -3.75 118.70 109.82 1xhh s GLU 14 Ca 0.63 -0.27 0.03 0.00 -0.15 0.00 0.00 54.97 55.21 1xhh s GLU 14 Cb -0.30 0.19 0.16 0.00 -0.44 0.00 0.00 34.13 33.74 1xhh s GLU 14 CO 0.77 -0.23 0.32 0.00 0.95 0.00 0.00 175.26 177.07 1xhh s GLN 16 N 0.62 3.45 0.13 0.00 0.74 -1.26 -3.63 119.66 119.71 1xhh s GLN 16 Ca 0.26 -0.22 -0.16 0.00 0.05 0.00 0.00 55.36 55.29 1xhh s GLN 16 Cb -0.08 -3.13 0.03 0.00 1.10 0.00 0.00 33.01 30.93 1xhh s GLN 16 CO -0.10 0.71 0.39 0.34 -0.55 0.00 0.00 175.29 176.09 1xhh s ASP 17 N -1.57 -0.21 0.36 6.67 -1.08 -0.81 -4.54 116.67 115.49 1xhh s ASP 17 Ca 0.23 -0.35 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 1xhh s ASP 17 Cb -0.12 0.47 0.00 0.00 -1.46 0.00 0.00 42.92 41.81 1xhh s ASP 17 CO 0.13 -0.86 0.00 -0.11 0.52 0.00 0.00 175.17 174.85 1xhh n LEU 18 N -0.22 0.00 -0.21 -1.34 0.00 -1.26 -2.17 117.00 111.79 1xhh n LEU 18 Ca -0.15 0.00 0.03 0.00 0.00 0.00 0.00 56.01 55.88 1xhh n LEU 18 Cb 0.64 0.00 0.02 0.00 0.00 0.00 0.00 43.42 44.08 1xhh n LEU 18 CO 0.17 0.00 0.33 1.17 0.00 0.00 0.00 177.39 179.06 1xhh n LYS 19 N 2.01 -0.11 -0.01 1.96 3.00 -1.26 -4.64 118.16 119.12 1xhh n LYS 19 Ca 0.00 -0.80 -0.00 0.00 -0.00 0.00 0.00 58.31 57.50 1xhh n LYS 19 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 35.03 33.91 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 0.33 -0.17 3.67 3.14 0.00 -1.24 -4.62 105.19 106.30 1xhh n GLY 20 Ca 0.03 -0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.14 4.20 -0.32 1.61 1.01 -0.92 -4.95 120.40 118.88 1xhh s VAL 21 Ca -0.02 1.50 0.01 0.00 0.00 0.00 0.00 61.98 63.47 1xhh s VAL 21 Cb 0.01 -3.96 0.19 0.00 0.00 0.00 0.00 36.38 32.62 1xhh s VAL 21 CO 0.14 -0.07 0.75 -0.44 0.00 0.00 0.00 175.10 175.48 1xhh s SER 22 N 1.81 -1.21 0.06 3.32 0.01 -1.26 -1.92 113.70 114.50 1xhh s SER 22 Ca 0.56 -0.11 -0.14 0.00 1.31 0.00 0.00 55.95 57.58 1xhh s SER 22 Cb -0.24 1.68 0.02 0.00 0.21 0.00 0.00 66.02 67.69 1xhh s SER 22 CO 0.19 -0.19 0.30 -1.38 0.41 0.00 0.00 173.24 172.57 1xhh s HIS 23 N 2.52 -0.09 0.00 2.43 -3.43 -1.24 -5.02 115.29 110.47 1xhh s HIS 23 Ca 0.16 -0.10 0.00 0.00 -0.80 0.00 0.00 55.06 54.32 1xhh s HIS 23 Cb -0.05 0.10 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 1xhh s HIS 23 CO -0.20 -0.53 0.00 -2.30 -2.00 0.00 0.00 174.74 169.71 1xhh n PRO 24 N 0.42 -0.75 -1.52 -0.38 -0.01 -1.26 -1.45 135.00 130.05 1xhh n PRO 24 Ca -0.18 0.00 -0.13 0.00 -0.01 0.00 0.00 63.50 63.18 1xhh n PRO 24 Cb 0.60 0.00 -0.10 0.00 -0.01 0.00 0.00 33.50 33.99 1xhh n PRO 24 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 175.50 175.38 1xhh n LEU 25 N 0.00 1.01 -0.19 2.45 0.00 -1.25 -3.60 117.00 115.41 1xhh n LEU 25 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 56.01 54.26 1xhh n LEU 25 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 43.42 41.92 1xhh n LEU 25 CO 0.00 -2.83 0.22 -3.20 0.00 0.00 0.00 177.39 171.58 1xhh n ASN 26 N 16.83 0.21 0.00 1.96 5.15 -1.26 -4.95 115.26 133.20 1xhh n ASN 26 Ca 0.43 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 53.33 1xhh n ASN 26 Cb 0.42 -0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 1xhh n ASN 26 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xhh n SER 27 N -0.22 -1.83 -4.59 1.20 7.64 -1.26 -4.64 113.62 109.91 1xhh n SER 27 Ca 0.00 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.54 1xhh n SER 27 Cb 0.05 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.14 1xhh n SER 27 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 1xhh s VAL 28 N 0.00 3.97 -0.02 0.44 -7.23 -1.26 -3.88 120.40 112.42 1xhh s VAL 28 Ca 0.00 -0.36 0.01 0.00 -1.81 0.00 0.00 61.98 59.82 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 0.57 -0.03 -1.66 -0.31 0.00 0.00 175.10 173.67 1xhh s TRP 29 N -0.52 0.42 0.02 2.82 -2.14 -1.05 -5.01 118.94 113.49 1xhh s TRP 29 Ca 0.08 -0.07 0.02 0.00 2.66 0.00 0.00 56.10 58.79 1xhh s TRP 29 Cb -0.12 -0.36 -0.01 0.00 -3.10 0.00 0.00 33.47 29.87 1xhh s TRP 29 CO 0.02 -0.07 -0.06 -1.59 -2.66 0.00 0.00 176.95 172.59 1xhh s LYS 30 N 0.40 0.46 0.51 3.25 0.00 -1.26 -2.56 119.74 120.54 1xhh s LYS 30 Ca -0.04 -0.47 -0.00 0.00 0.00 0.00 0.00 55.97 55.46 1xhh s LYS 30 Cb -0.07 -0.32 0.01 0.00 0.00 0.00 0.00 37.83 37.45 1xhh s LYS 30 CO -0.01 0.07 0.75 0.95 0.00 0.00 0.00 175.35 177.12 1xhh s THR 31 N -0.76 3.42 -0.80 3.79 -4.23 0.46 -4.99 115.64 112.53 1xhh s THR 31 Ca -0.04 -0.48 0.24 0.00 -1.18 0.00 0.00 61.69 60.22 1xhh s THR 31 Cb -0.06 -3.29 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 1xhh s THR 31 CO 0.00 -0.22 1.24 1.17 -0.54 0.00 0.00 174.62 176.27 1xhh n LYS 32 N -2.27 0.15 -2.67 3.99 4.81 -1.26 -4.60 118.16 116.32 1xhh n LYS 32 Ca 0.04 0.02 -0.05 0.00 -0.87 0.00 0.00 58.31 57.46 1xhh n LYS 32 Cb 0.58 -1.57 0.03 0.00 0.02 0.00 0.00 35.03 34.09 1xhh n LYS 32 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xhh n ASP 33 N -1.78 -1.38 0.00 3.14 -0.08 -1.26 -5.06 116.55 110.13 1xhh n ASP 33 Ca 0.04 -1.93 0.00 0.00 -1.51 0.00 0.00 54.79 51.39 1xhh n ASP 33 Cb 0.39 1.04 0.00 0.00 2.34 0.00 0.00 41.12 44.89 1xhh n ASP 33 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xhh s GLU 35 N -0.37 0.75 -0.30 0.00 2.12 -1.26 -3.10 118.70 116.54 1xhh s GLU 35 Ca 0.00 -1.31 -0.02 0.00 0.36 0.00 0.00 54.97 54.00 1xhh s GLU 35 Cb 0.00 0.12 0.10 0.00 0.26 0.00 0.00 34.13 34.60 1xhh s GLU 35 CO 0.00 -0.13 0.11 -1.21 -0.54 0.00 0.00 175.26 173.49 1xhh s GLU 36 N -3.93 0.49 -0.03 4.30 2.02 -0.42 -0.40 118.70 120.73 1xhh s GLU 36 Ca 0.12 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.35 1xhh s GLU 36 Cb 0.07 -1.64 -0.02 0.00 0.10 0.00 0.00 34.13 32.64 1xhh s GLU 36 CO -0.06 -0.99 -0.25 0.00 0.02 0.00 0.00 175.26 173.98 1xhh s THR 38 N -0.43 1.35 -0.48 0.00 -4.23 0.03 -2.53 115.64 109.34 1xhh s THR 38 Ca 0.05 -1.61 -0.05 0.00 -1.18 0.00 0.00 61.69 58.90 1xhh s THR 38 Cb -0.11 -1.44 0.13 0.00 1.34 0.00 0.00 72.50 72.41 1xhh s THR 38 CO 0.01 -0.32 0.31 0.00 -0.54 0.00 0.00 174.62 174.08 1xhh s GLY 40 N 1.88 2.30 0.13 0.00 0.00 0.22 -4.86 107.32 107.00 1xhh s GLY 40 Ca 0.09 -0.03 0.05 0.00 0.00 0.00 0.00 44.72 44.84 1xhh s GLY 40 CO -0.03 1.33 0.99 -1.06 0.00 0.00 0.00 173.10 174.34 1xhh n GLN 41 N 4.55 0.04 -0.01 2.90 6.02 -1.26 -0.23 117.38 129.38 1xhh n GLN 41 Ca 0.00 0.40 0.01 0.00 -0.01 0.00 0.00 57.00 57.40 1xhh n GLN 41 Cb 0.50 -1.87 -0.04 0.00 1.02 0.00 0.00 30.24 29.86 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 -1.60 3.92 -3.44 1.08 8.00 -1.26 -4.87 116.55 118.38 1xhh n ASP 42 Ca -0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1xhh n ASP 42 Cb 0.26 0.99 -0.03 0.00 -0.02 0.00 0.00 41.12 42.32 1xhh n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xhh s ALA 43 N -2.24 -1.64 -0.14 2.24 0.00 0.68 -4.21 121.76 116.45 1xhh s ALA 43 Ca -0.02 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 1xhh s ALA 43 Cb 0.02 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1xhh s ALA 43 CO 0.19 -0.70 -0.10 0.42 0.00 0.00 0.00 175.76 175.57 1xhh s ILE 44 N -3.31 3.31 0.01 0.00 1.01 -0.38 0.71 121.20 122.54 1xhh s ILE 44 Ca -0.01 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.10 1xhh s ILE 44 Cb -0.01 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 1xhh s ILE 44 CO -0.09 0.51 -0.04 -0.94 0.00 0.00 0.00 174.94 174.38 1xhh s SER 45 N 0.37 4.82 -0.14 3.58 1.04 -0.90 -0.50 113.70 121.97 1xhh s SER 45 Ca -0.09 -0.10 -0.10 0.00 0.48 0.00 0.00 55.95 56.14 1xhh s SER 45 Cb -0.15 -1.17 0.04 0.00 0.10 0.00 0.00 66.02 64.84 1xhh s SER 45 CO 0.05 0.27 0.35 0.00 0.98 0.00 0.00 173.24 174.89 1xhh s ASN 48 N -0.13 2.37 0.00 0.00 4.22 -1.26 -1.30 114.94 118.84 1xhh s ASN 48 Ca 0.02 -0.39 0.00 0.00 -2.14 0.00 0.00 52.86 50.35 1xhh s ASN 48 Cb -0.06 -0.25 0.00 0.00 1.28 0.00 0.00 41.25 42.22 1xhh s ASN 48 CO -0.00 0.23 0.28 0.35 -2.04 0.00 0.00 177.10 175.93 1xhh n THR 49 N 2.47 0.08 -2.27 0.54 -2.24 -1.18 -4.58 114.28 107.10 1xhh n THR 49 Ca -0.15 -0.19 -0.25 0.00 -2.27 0.00 0.00 64.05 61.18 1xhh n THR 49 Cb 0.53 1.47 0.06 0.00 -2.10 0.00 0.00 70.33 70.30 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 -0.08 3.27 1.06 6.98 0.00 -1.25 -5.03 121.76 126.71 1xhh s ALA 50 Ca 0.00 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.74 1xhh s ALA 50 Cb 0.00 -2.52 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 1xhh s ALA 50 CO 0.00 -1.22 -0.72 0.00 0.00 0.00 0.00 175.76 173.83 1xhh n ALA 51 N -2.83 -4.93 -3.45 0.00 0.00 -1.26 -5.00 120.51 103.04 1xhh n ALA 51 Ca 0.08 -1.31 -0.20 0.00 0.00 0.00 0.00 53.44 52.01 1xhh n ALA 51 Cb 0.60 -1.19 -0.16 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.13 0.60 0.02 0.00 1.09 -0.52 -4.91 121.20 115.35 1xhh s ILE 52 Ca 0.47 -0.19 -0.31 0.00 -1.10 0.00 0.00 60.65 59.51 1xhh s ILE 52 Cb -0.02 -0.59 -0.10 0.00 -1.06 0.00 0.00 42.46 40.69 1xhh s ILE 52 CO 0.67 0.22 1.92 -0.81 -0.10 0.00 0.00 174.94 176.84 1xhh n PRO 53 N 3.80 2.66 -3.27 2.79 -0.04 -1.26 -2.62 135.00 137.05 1xhh n PRO 53 Ca -0.23 0.97 -0.18 0.00 -0.04 0.00 0.00 63.50 64.02 1xhh n PRO 53 Cb 0.52 -2.89 -0.02 0.00 -0.04 0.00 0.00 33.50 31.08 1xhh n PRO 53 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xhh n THR 54 N 5.25 0.00 -0.61 0.52 -2.24 -0.29 -4.56 114.28 112.35 1xhh n THR 54 Ca 0.20 -1.44 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1xhh n THR 54 Cb 0.37 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.94 0.00 3.53 3.38 0.00 -1.26 -3.76 105.19 108.02 1xhh n GLY 55 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.80 2.82 -0.23 1.61 5.04 -1.26 -4.45 117.35 120.08 1xhh s TYR 56 Ca 0.00 0.09 -0.04 0.00 -2.44 0.00 0.00 57.07 54.68 1xhh s TYR 56 Cb 0.00 -4.05 0.08 0.00 0.35 0.00 0.00 41.96 38.35 1xhh s TYR 56 CO 0.00 -1.29 0.12 0.34 -1.34 0.00 0.00 175.55 173.38 1xhh s ASP 57 N 2.69 2.90 0.00 4.32 -1.08 -1.26 -5.07 116.67 119.17 1xhh s ASP 57 Ca 0.32 -0.94 0.00 0.00 -0.52 0.00 0.00 52.55 51.41 1xhh s ASP 57 Cb -0.12 -0.27 0.00 0.00 -1.46 0.00 0.00 42.92 41.08 1xhh s ASP 57 CO 0.21 -0.40 0.00 0.35 0.52 0.00 0.00 175.17 175.86 1xhh n THR 58 N 5.27 0.00 -0.07 1.71 -2.24 -1.26 -5.06 114.28 112.62 1xhh n THR 58 Ca -0.06 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.65 1xhh n THR 58 Cb 0.45 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 1xhh n THR 58 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1xhh n ASN 59 N 0.00 1.50 -0.37 3.42 2.85 -1.26 -4.98 115.26 116.43 1xhh n ASN 59 Ca 0.00 0.26 -0.01 0.00 -0.11 0.00 0.00 54.58 54.72 1xhh n ASN 59 Cb 0.00 -0.68 -0.01 0.00 1.24 0.00 0.00 39.78 40.33 1xhh n ASN 59 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 1xhh n LYS 60 N -4.02 0.00 -0.55 1.20 2.85 -1.26 -5.15 118.16 111.24 1xhh n LYS 60 Ca -0.11 -0.13 -0.24 0.00 -1.05 0.00 0.00 58.31 56.78 1xhh n LYS 60 Cb 0.40 0.21 0.17 0.00 -0.65 0.00 0.00 35.03 35.16 1xhh n LYS 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xhh s GLN 62 N -3.61 1.25 -0.08 0.00 0.74 -0.59 -4.98 119.66 112.39 1xhh s GLN 62 Ca 0.46 -1.57 -0.00 0.00 0.05 0.00 0.00 55.36 54.29 1xhh s GLN 62 Cb -0.08 -0.85 -0.03 0.00 1.10 0.00 0.00 33.01 33.15 1xhh s GLN 62 CO 0.47 0.08 -0.05 -1.59 -0.55 0.00 0.00 175.29 173.65 1xhh s LYS 63 N -3.73 2.92 0.12 1.67 -2.85 -1.26 -2.01 119.74 114.60 1xhh s LYS 63 Ca 0.22 -0.52 0.01 0.00 -1.00 0.00 0.00 55.97 54.68 1xhh s LYS 63 Cb 0.02 -2.67 -0.04 0.00 -2.06 0.00 0.00 37.83 33.08 1xhh s LYS 63 CO 0.05 0.61 -0.01 -1.50 0.10 0.00 0.00 175.35 174.60 1xhh s ILE 64 N -0.66 0.48 -0.27 3.79 2.07 0.29 -4.99 121.20 121.92 1xhh s ILE 64 Ca 0.10 -1.92 -0.02 0.00 -1.41 0.00 0.00 60.65 57.40 1xhh s ILE 64 Cb -0.12 -1.87 0.03 0.00 0.13 0.00 0.00 42.46 40.64 1xhh s ILE 64 CO 0.02 -0.68 -0.03 -0.22 -1.91 0.00 0.00 174.94 172.12 1xhh s LEU 65 N -3.06 3.51 0.13 8.50 0.20 -1.26 -0.80 118.68 125.90 1xhh s LEU 65 Ca 0.17 -1.01 -0.30 0.00 0.69 0.00 0.00 54.13 53.68 1xhh s LEU 65 Cb 0.06 -1.70 -0.06 0.00 -0.43 0.00 0.00 46.19 44.06 1xhh s LEU 65 CO -0.02 -0.18 0.98 0.20 -0.29 0.00 0.00 176.35 177.04 1xhh s ASN 66 N 1.31 7.49 0.00 3.68 -0.87 0.80 -4.89 114.94 122.46 1xhh s ASN 66 Ca -0.02 1.85 0.25 0.00 -1.57 0.00 0.00 52.86 53.37 1xhh s ASN 66 Cb -0.18 -2.59 0.44 0.00 -0.02 0.00 0.00 41.25 38.89 1xhh s ASN 66 CO -0.03 -0.06 1.36 1.17 -2.57 0.00 0.00 177.10 176.98 1xhh n LYS 67 N 2.59 0.61 0.03 -0.60 0.00 -1.26 -1.79 118.16 117.74 1xhh n LYS 67 Ca 0.02 -0.41 -0.10 0.00 0.00 0.00 0.00 58.31 57.81 1xhh n LYS 67 Cb 0.49 -1.49 -0.04 0.00 0.00 0.00 0.00 35.03 33.98 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 1.01 -0.17 0.00 1.64 1.57 -1.95 -3.27 116.57 115.40 1xhh h LYS 68 Ca 0.00 0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1xhh h LYS 68 Cb 0.55 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 32.75 1xhh h LYS 68 CO 0.00 -0.11 -0.64 0.25 -0.57 0.00 0.00 179.45 178.38 1xhh n THR 69 N -5.26 0.98 -3.23 -0.16 -2.24 -1.26 -5.03 114.28 98.08 1xhh n THR 69 Ca -0.04 -1.75 -0.21 0.00 -2.27 0.00 0.00 64.05 59.78 1xhh n THR 69 Cb 0.18 0.35 0.02 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.27 0.00 -0.03 0.00 -1.32 -0.74 -4.99 115.64 106.29 1xhh s THR 71 Ca 0.24 -1.47 0.02 0.00 -1.21 0.00 0.00 61.69 59.27 1xhh s THR 71 Cb -0.04 -2.29 -0.03 0.00 -1.51 0.00 0.00 72.50 68.63 1xhh s THR 71 CO 0.82 0.00 -0.05 -0.31 -2.21 0.00 0.00 174.62 172.87 1xhh s TYR 72 N -3.91 2.96 -0.00 9.09 2.02 -1.26 -0.14 117.35 126.11 1xhh s TYR 72 Ca 0.25 0.03 -0.04 0.00 -0.37 0.00 0.00 57.07 56.94 1xhh s TYR 72 Cb -0.00 -1.67 -0.00 0.00 -0.40 0.00 0.00 41.96 39.89 1xhh s TYR 72 CO 0.10 0.38 0.07 0.95 -1.57 0.00 0.00 175.55 175.49 1xhh s THR 73 N -0.94 0.06 -0.22 -0.71 -4.23 0.02 -4.91 115.64 104.72 1xhh s THR 73 Ca 0.16 -0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 60.09 1xhh s THR 73 Cb -0.11 -0.28 -0.01 0.00 1.34 0.00 0.00 72.50 73.44 1xhh s THR 73 CO 0.05 -0.29 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.11 1xhh s VAL 74 N -0.94 3.39 0.39 2.29 1.01 -1.26 -0.55 120.40 124.73 1xhh s VAL 74 Ca -0.10 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.44 1xhh s VAL 74 Cb -0.06 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1xhh s VAL 74 CO 0.00 0.40 0.27 0.68 0.00 0.00 0.00 175.10 176.45 1xhh s VAL 75 N 1.48 2.76 -0.08 2.92 -7.23 -0.85 -1.51 120.40 117.89 1xhh s VAL 75 Ca 0.05 -1.51 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 1xhh s VAL 75 Cb -0.14 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.75 1xhh s VAL 75 CO -0.03 -0.06 -0.05 -1.61 -0.31 0.00 0.00 175.10 173.04 1xhh s GLU 76 N -4.00 2.84 0.00 4.82 2.02 -1.23 -1.55 118.70 121.60 1xhh s GLU 76 Ca 0.43 -0.51 0.04 0.00 0.02 0.00 0.00 54.97 54.95 1xhh s GLU 76 Cb -0.02 -2.65 0.18 0.00 0.10 0.00 0.00 34.13 31.74 1xhh s GLU 76 CO 0.25 0.66 1.14 1.63 0.02 0.00 0.00 175.26 178.96 1xhh n LYS 77 N 2.25 0.00 0.00 1.61 4.76 -1.26 -1.12 118.16 124.40 1xhh n LYS 77 Ca -0.18 0.43 0.04 0.00 -2.87 0.00 0.00 58.31 55.73 1xhh n LYS 77 Cb 0.53 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.25 1xhh n LYS 77 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1xhh n LYS 78 N -1.50 0.29 -2.94 1.97 4.81 -1.26 -4.81 118.16 114.73 1xhh n LYS 78 Ca 0.01 -0.94 -0.12 0.00 -0.87 0.00 0.00 58.31 56.39 1xhh n LYS 78 Cb 0.05 -1.14 -0.01 0.00 0.02 0.00 0.00 35.03 33.95 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 0.38 -2.30 -0.91 3.14 -0.08 -0.27 -4.99 116.55 111.52 1xhh n ASP 79 Ca 0.05 -2.87 0.00 0.00 -1.51 0.00 0.00 54.79 50.45 1xhh n ASP 79 Cb 0.20 1.02 0.00 0.00 2.34 0.00 0.00 41.12 44.68 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 2.44 0.26 0.00 -0.67 -0.05 -1.20 -2.21 135.00 133.57 1xhh n PRO 80 Ca 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.64 1xhh n PRO 80 Cb 0.56 -1.33 0.00 0.00 -0.05 0.00 0.00 33.50 32.68 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 0.78 0.00 3.86 0.55 0.00 -1.26 -4.77 105.19 104.35 1xhh n GLY 81 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.25 3.82 0.20 1.61 -0.14 -0.94 -5.07 119.74 117.98 1xhh s LYS 82 Ca 0.00 0.27 -0.13 0.00 -1.36 0.00 0.00 55.97 54.75 1xhh s LYS 82 Cb 0.00 -3.05 -0.07 0.00 -1.68 0.00 0.00 37.83 33.03 1xhh s LYS 82 CO 0.00 0.59 0.59 0.95 -0.76 0.00 0.00 175.35 176.71 1xhh s THR 83 N -1.32 4.83 0.13 2.17 -4.23 -1.26 -3.84 115.64 112.12 1xhh s THR 83 Ca 0.31 0.76 -0.02 0.00 -1.18 0.00 0.00 61.69 61.56 1xhh s THR 83 Cb -0.15 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 70.03 1xhh s THR 83 CO 0.17 0.08 0.16 0.00 -0.54 0.00 0.00 174.62 174.49 1xhh s ASP 85 N -1.67 7.34 0.19 0.00 -1.08 -1.26 -4.95 116.67 115.24 1xhh s ASP 85 Ca 0.09 1.78 0.05 0.00 -0.52 0.00 0.00 52.55 53.95 1xhh s ASP 85 Cb -0.00 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.85 1xhh s ASP 85 CO 0.07 -0.01 -0.08 -0.69 0.52 0.00 0.00 175.17 174.98 1xhh s VAL 86 N -1.52 1.26 0.00 1.11 1.01 -1.26 -4.70 120.40 116.30 1xhh s VAL 86 Ca 0.47 -2.08 0.00 0.00 0.00 0.00 0.00 61.98 60.37 1xhh s VAL 86 Cb -0.19 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.13 1xhh s VAL 86 CO 0.24 -0.57 0.00 0.41 0.00 0.00 0.00 175.10 175.18 1xhh n THR 87 N -0.32 0.00 0.00 3.92 -1.04 -1.25 -4.96 114.28 110.63 1xhh n THR 87 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1xhh n THR 87 Cb 0.62 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 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 3.00 1.62 3.66 3.41 0.00 -1.25 -5.04 105.19 110.60 1xhh n GLY 88 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 2.92 0.01 1.61 0.51 -1.26 -1.14 118.94 119.59 1xhh s TRP 89 Ca 0.00 -0.07 -0.00 0.00 -2.12 0.00 0.00 56.10 53.91 1xhh s TRP 89 Cb 0.00 -1.49 -0.01 0.00 -0.81 0.00 0.00 33.47 31.15 1xhh s TRP 89 CO 0.00 0.47 -0.02 0.08 -0.51 0.00 0.00 176.95 176.98 1xhh s VAL 90 N -1.35 0.08 -2.00 4.03 1.01 -1.08 -4.90 120.40 116.20 1xhh s VAL 90 Ca 0.25 -0.70 0.16 0.00 0.00 0.00 0.00 61.98 61.69 1xhh s VAL 90 Cb -0.11 -0.21 0.44 0.00 0.00 0.00 0.00 36.38 36.50 1xhh s VAL 90 CO 0.17 -0.38 1.34 0.18 0.00 0.00 0.00 175.10 176.41