#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 -3.57 -0.07 -0.06 0.00 -0.85 -1.08 -5.02 117.35 106.70 1xhh s TYR 3 Ca 0.65 -0.15 0.01 0.00 -0.52 0.00 0.00 57.07 57.06 1xhh s TYR 3 Cb -0.10 0.09 -0.03 0.00 0.38 0.00 0.00 41.96 42.30 1xhh s TYR 3 CO 0.51 -0.55 -0.05 -0.06 -1.52 0.00 0.00 175.55 173.88 1xhh s PHE 4 N -3.02 2.97 -0.06 -3.49 0.40 -1.26 -2.55 117.98 110.97 1xhh s PHE 4 Ca -0.02 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.37 1xhh s PHE 4 Cb 0.01 -1.70 0.02 0.00 0.51 0.00 0.00 43.02 41.85 1xhh s PHE 4 CO -0.06 0.37 -0.07 0.42 0.70 0.00 0.00 175.22 176.58 1xhh s ILE 5 N -0.87 0.77 0.47 0.64 1.01 -0.47 -5.00 121.20 117.76 1xhh s ILE 5 Ca 0.14 -0.23 -0.24 0.00 0.00 0.00 0.00 60.65 60.32 1xhh s ILE 5 Cb -0.11 -0.78 -0.08 0.00 0.01 0.00 0.00 42.46 41.51 1xhh s ILE 5 CO 0.03 0.29 1.42 -0.81 0.00 0.00 0.00 174.94 175.87 1xhh n PRO 6 N 4.25 2.13 -1.06 2.79 -0.04 -1.26 -2.02 135.00 139.79 1xhh n PRO 6 Ca -0.20 0.76 -0.35 0.00 -0.04 0.00 0.00 63.50 63.67 1xhh n PRO 6 Cb 0.51 -2.62 0.09 0.00 -0.04 0.00 0.00 33.50 31.44 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 -0.37 -1.87 0.00 3.54 4.05 -1.24 -4.83 115.26 114.54 1xhh n ASN 7 Ca 0.06 0.46 0.00 0.00 0.45 0.00 0.00 54.58 55.56 1xhh n ASN 7 Cb 0.42 -1.18 0.00 0.00 1.23 0.00 0.00 39.78 40.25 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 -0.90 0.78 -0.68 1.20 3.00 -1.26 -5.06 117.38 114.46 1xhh n GLN 8 Ca 0.08 -0.12 -0.32 0.00 -0.01 0.00 0.00 57.00 56.64 1xhh n GLN 8 Cb 0.52 -0.49 0.17 0.00 0.00 0.00 0.00 30.24 30.43 1xhh n GLN 8 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1xhh n SER 9 N -0.14 -1.92 0.00 1.08 7.64 -1.26 -4.98 113.62 114.03 1xhh n SER 9 Ca 0.00 0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1xhh n SER 9 Cb 0.10 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.16 1xhh n SER 9 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1xhh n LEU 10 N -2.34 0.34 -4.81 -3.43 4.77 -1.26 -4.92 117.00 105.35 1xhh n LEU 10 Ca 0.04 0.26 -0.34 0.00 -0.03 0.00 0.00 56.01 55.94 1xhh n LEU 10 Cb 0.57 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 1xhh n LEU 10 CO 0.52 -0.41 0.61 -0.54 -1.33 0.00 0.00 177.39 176.24 1xhh s LYS 11 N -0.82 4.30 1.03 3.23 1.02 -1.26 -5.05 119.74 122.20 1xhh s LYS 11 Ca 0.00 1.10 -0.16 0.00 0.02 0.00 0.00 55.97 56.93 1xhh s LYS 11 Cb 0.00 -2.42 0.25 0.00 -0.52 0.00 0.00 37.83 35.14 1xhh s LYS 11 CO 0.00 0.10 0.57 -0.35 -0.92 0.00 0.00 175.35 174.75 1xhh n PRO 12 N -0.20 -3.23 -3.63 -1.68 -0.04 -1.26 -4.10 135.00 120.86 1xhh n PRO 12 Ca 0.05 -0.95 -0.23 0.00 -0.04 0.00 0.00 63.50 62.32 1xhh n PRO 12 Cb 0.53 -1.38 0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -3.95 -4.07 -4.00 3.54 5.15 -1.26 -4.98 115.26 105.68 1xhh n ASN 13 Ca 0.09 -0.65 -0.12 0.00 -0.60 0.00 0.00 54.58 53.29 1xhh n ASN 13 Cb 0.39 -4.69 -0.08 0.00 -0.53 0.00 0.00 39.78 34.87 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 -6.06 1.38 -0.47 1.20 2.02 -1.26 -3.93 118.70 111.58 1xhh s GLU 14 Ca 0.35 -1.61 0.06 0.00 0.02 0.00 0.00 54.97 53.79 1xhh s GLU 14 Cb -0.16 0.33 0.29 0.00 0.10 0.00 0.00 34.13 34.68 1xhh s GLU 14 CO 0.76 -0.50 1.04 0.00 0.02 0.00 0.00 175.26 176.58 1xhh s GLN 16 N 0.43 3.45 -0.09 0.00 1.03 -1.26 -3.88 119.66 119.33 1xhh s GLN 16 Ca 0.26 -0.52 0.01 0.00 0.04 0.00 0.00 55.36 55.15 1xhh s GLN 16 Cb 0.27 -2.99 0.02 0.00 0.03 0.00 0.00 33.01 30.34 1xhh s GLN 16 CO -0.13 0.55 -0.12 -0.51 -2.54 0.00 0.00 175.29 172.54 1xhh s ASP 17 N -2.94 2.07 0.99 12.60 1.11 -1.25 -4.31 116.67 124.93 1xhh s ASP 17 Ca 0.35 -0.34 0.00 0.00 0.18 0.00 0.00 52.55 52.74 1xhh s ASP 17 Cb -0.12 -0.90 0.00 0.00 1.07 0.00 0.00 42.92 42.97 1xhh s ASP 17 CO 0.28 -0.02 0.00 0.18 1.18 0.00 0.00 175.17 176.80 1xhh n LEU 18 N 4.26 0.00 -0.12 1.23 4.77 -1.26 -2.76 117.00 123.12 1xhh n LEU 18 Ca -0.19 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.82 1xhh n LEU 18 Cb 0.51 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1xhh n LEU 18 CO 0.22 0.00 0.17 0.29 -1.33 0.00 0.00 177.39 176.75 1xhh n LYS 19 N 12.05 2.42 -0.09 3.23 4.76 -1.26 -4.71 118.16 134.56 1xhh n LYS 19 Ca 0.00 -0.44 -0.17 0.00 -2.87 0.00 0.00 58.31 54.84 1xhh n LYS 19 Cb 0.00 -0.93 -0.09 0.00 -1.84 0.00 0.00 35.03 32.17 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 1.12 0.00 -1.34 0.72 0.00 -1.92 -3.45 103.07 98.19 1xhh h GLY 20 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1xhh h GLY 20 CO 0.00 0.00 0.39 0.14 0.00 0.00 0.00 176.54 177.07 1xhh s VAL 21 N -2.28 4.31 0.00 4.60 1.01 -1.11 -4.99 120.40 121.93 1xhh s VAL 21 Ca -0.24 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.49 1xhh s VAL 21 Cb 0.04 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1xhh s VAL 21 CO 0.51 -0.98 0.00 -0.24 0.00 0.00 0.00 175.10 174.39 1xhh n SER 22 N -2.96 0.00 -3.74 3.32 2.88 -1.26 -3.75 113.62 108.11 1xhh n SER 22 Ca 0.07 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.48 1xhh n SER 22 Cb 0.54 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.92 1xhh n SER 22 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1xhh s HIS 23 N 0.00 -0.20 1.23 0.66 3.76 -1.25 -4.98 115.29 114.51 1xhh s HIS 23 Ca 0.00 0.26 -0.18 0.00 -0.15 0.00 0.00 55.06 54.99 1xhh s HIS 23 Cb 0.00 0.12 0.26 0.00 1.11 0.00 0.00 32.58 34.07 1xhh s HIS 23 CO 0.00 -0.43 0.59 -0.35 -0.85 0.00 0.00 174.74 173.70 1xhh n PRO 24 N 1.10 -3.12 0.00 8.40 -0.04 -1.26 -1.72 135.00 138.36 1xhh n PRO 24 Ca -0.21 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.34 1xhh n PRO 24 Cb 0.57 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.22 1xhh n PRO 24 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1xhh n LEU 25 N -3.67 0.00 -3.50 1.53 4.77 -1.25 -4.29 117.00 110.59 1xhh n LEU 25 Ca 0.07 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.90 1xhh n LEU 25 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1xhh n LEU 25 CO 0.42 -0.83 -0.00 -3.20 -1.33 0.00 0.00 177.39 172.45 1xhh n ASN 26 N -1.98 -6.04 -3.18 -1.43 5.15 -1.26 -4.98 115.26 101.53 1xhh n ASN 26 Ca 0.00 -0.61 0.02 0.00 -0.60 0.00 0.00 54.58 53.39 1xhh n ASN 26 Cb 0.00 -3.18 -0.01 0.00 -0.53 0.00 0.00 39.78 36.07 1xhh n ASN 26 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1xhh s SER 27 N -3.01 -1.52 -0.09 1.20 0.15 -1.26 -5.13 113.70 104.03 1xhh s SER 27 Ca 0.02 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.36 1xhh s SER 27 Cb -0.01 1.97 -0.03 0.00 -1.71 0.00 0.00 66.02 66.25 1xhh s SER 27 CO 0.84 -0.24 -0.05 0.68 1.20 0.00 0.00 173.24 175.67 1xhh s VAL 28 N 2.35 3.86 -0.15 4.45 -7.23 -1.26 -4.02 120.40 118.40 1xhh s VAL 28 Ca 0.13 -0.41 -0.09 0.00 -1.81 0.00 0.00 61.98 59.80 1xhh s VAL 28 Cb -0.07 -2.61 0.05 0.00 0.56 0.00 0.00 36.38 34.30 1xhh s VAL 28 CO -0.17 0.57 0.36 -1.66 -0.31 0.00 0.00 175.10 173.90 1xhh s TRP 29 N -0.50 -0.49 -0.09 2.82 -2.14 -1.08 -5.05 118.94 112.41 1xhh s TRP 29 Ca 0.08 1.09 0.02 0.00 2.66 0.00 0.00 56.10 59.95 1xhh s TRP 29 Cb -0.12 0.18 0.01 0.00 -3.10 0.00 0.00 33.47 30.45 1xhh s TRP 29 CO 0.02 -0.28 -0.13 0.15 -2.66 0.00 0.00 176.95 174.05 1xhh s LYS 30 N 1.01 1.91 0.00 3.25 3.01 -1.26 -2.61 119.74 125.05 1xhh s LYS 30 Ca -0.07 -0.47 0.00 0.00 -1.01 0.00 0.00 55.97 54.43 1xhh s LYS 30 Cb -0.07 -1.62 0.00 0.00 -1.01 0.00 0.00 37.83 35.13 1xhh s LYS 30 CO -0.08 -0.03 0.00 0.25 0.51 0.00 0.00 175.35 176.00 1xhh n THR 31 N 4.05 0.00 -3.47 2.17 -2.24 -0.65 -5.02 114.28 109.11 1xhh n THR 31 Ca -0.20 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.37 1xhh n THR 31 Cb 0.51 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.62 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 0.00 0.25 0.00 -0.78 2.20 -1.26 -4.83 119.74 115.31 1xhh s LYS 32 Ca 0.00 -0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 1xhh s LYS 32 Cb 0.00 -0.97 0.00 0.00 -1.51 0.00 0.00 37.83 35.35 1xhh s LYS 32 CO 0.00 -0.92 0.00 -3.47 -0.36 0.00 0.00 175.35 170.60 1xhh n ASP 33 N 5.30 -0.14 -0.03 1.43 2.03 -1.26 -4.69 116.55 119.18 1xhh n ASP 33 Ca -0.04 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.24 1xhh n ASP 33 Cb 0.46 -2.38 -0.01 0.00 -0.72 0.00 0.00 41.12 38.48 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 -1.64 1.46 0.04 0.00 2.12 -1.26 -2.85 118.70 116.57 1xhh s GLU 35 Ca -0.09 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 54.58 1xhh s GLU 35 Cb 0.01 0.59 -0.03 0.00 0.26 0.00 0.00 34.13 34.96 1xhh s GLU 35 CO 0.13 -0.65 -0.05 -1.21 -0.54 0.00 0.00 175.26 172.94 1xhh s GLU 36 N -3.78 0.51 -0.29 4.30 2.02 0.10 -1.64 118.70 119.92 1xhh s GLU 36 Ca 0.05 -0.90 -0.13 0.00 0.02 0.00 0.00 54.97 54.01 1xhh s GLU 36 Cb -0.03 -0.01 0.11 0.00 0.10 0.00 0.00 34.13 34.30 1xhh s GLU 36 CO -0.05 -0.04 0.68 0.00 0.02 0.00 0.00 175.26 175.88 1xhh s THR 38 N 2.29 1.80 -0.35 0.00 -4.23 -0.25 -2.62 115.64 112.27 1xhh s THR 38 Ca -0.08 -2.09 -0.06 0.00 -1.18 0.00 0.00 61.69 58.28 1xhh s THR 38 Cb -0.09 -1.96 0.05 0.00 1.34 0.00 0.00 72.50 71.84 1xhh s THR 38 CO -0.19 -0.47 0.12 0.00 -0.54 0.00 0.00 174.62 173.54 1xhh n GLY 40 N 4.80 -0.56 0.00 0.00 0.00 -0.01 -4.81 105.19 104.61 1xhh n GLY 40 Ca -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1xhh n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xhh n GLN 41 N -1.08 0.00 -1.21 1.61 1.13 -1.26 -3.95 117.38 112.62 1xhh n GLN 41 Ca 0.01 0.08 -0.19 0.00 -1.94 0.00 0.00 57.00 54.96 1xhh n GLN 41 Cb 0.02 -0.72 0.14 0.00 0.11 0.00 0.00 30.24 29.79 1xhh n GLN 41 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xhh n ASP 42 N -0.30 4.26 -3.52 1.08 5.75 -1.26 -4.99 116.55 117.57 1xhh n ASP 42 Ca 0.00 -3.75 -0.11 0.00 -0.01 0.00 0.00 54.79 50.92 1xhh n ASP 42 Cb 0.00 -0.71 -0.04 0.00 -1.03 0.00 0.00 41.12 39.34 1xhh n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xhh s ALA 43 N -3.44 0.10 -0.02 2.12 0.00 -1.25 -3.61 121.76 115.64 1xhh s ALA 43 Ca 0.53 -1.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 1xhh s ALA 43 Cb 0.45 1.04 0.03 0.00 0.00 0.00 0.00 23.12 24.64 1xhh s ALA 43 CO 0.03 -0.85 0.04 0.42 0.00 0.00 0.00 175.76 175.40 1xhh s ILE 44 N -3.35 -0.05 -0.21 0.00 1.01 -0.85 -0.83 121.20 116.92 1xhh s ILE 44 Ca 0.25 0.19 -0.05 0.00 0.00 0.00 0.00 60.65 61.05 1xhh s ILE 44 Cb -0.01 -0.09 -0.02 0.00 0.01 0.00 0.00 42.46 42.35 1xhh s ILE 44 CO 0.14 0.08 -0.01 -0.55 0.00 0.00 0.00 174.94 174.60 1xhh s SER 45 N 0.99 4.64 -0.03 3.58 0.15 -0.97 -1.36 113.70 120.69 1xhh s SER 45 Ca -0.08 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.33 1xhh s SER 45 Cb -0.12 -1.79 -0.00 0.00 -1.71 0.00 0.00 66.02 62.40 1xhh s SER 45 CO -0.03 0.03 -0.13 0.00 1.20 0.00 0.00 173.24 174.31 1xhh s ASN 48 N 0.99 4.96 0.00 0.00 6.03 -1.26 -0.72 114.94 124.94 1xhh s ASN 48 Ca -0.05 -0.32 0.00 0.00 -1.03 0.00 0.00 52.86 51.47 1xhh s ASN 48 Cb -0.15 -1.12 0.00 0.00 -3.03 0.00 0.00 41.25 36.95 1xhh s ASN 48 CO -0.04 0.09 0.00 0.35 -2.03 0.00 0.00 177.10 175.48 1xhh n THR 49 N -0.11 0.00 -0.63 0.54 -2.24 -1.15 -4.59 114.28 106.10 1xhh n THR 49 Ca -0.09 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.38 1xhh n THR 49 Cb 0.55 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 68.97 1xhh n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xhh n ALA 50 N -0.98 -1.52 -0.71 6.98 0.00 -1.13 -4.92 120.51 118.22 1xhh n ALA 50 Ca 0.00 -0.73 -0.33 0.00 0.00 0.00 0.00 53.44 52.38 1xhh n ALA 50 Cb 0.00 -2.11 0.16 0.00 0.00 0.00 0.00 19.45 17.50 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 -4.40 -4.24 -3.10 0.00 0.00 -1.26 -4.99 120.51 102.52 1xhh n ALA 51 Ca 0.09 -1.26 -0.27 0.00 0.00 0.00 0.00 53.44 52.00 1xhh n ALA 51 Cb 0.53 -1.47 -0.16 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.22 1.49 0.04 0.00 -1.09 -1.08 -4.91 121.20 113.44 1xhh s ILE 52 Ca 0.54 -0.72 -0.32 0.00 -2.23 0.00 0.00 60.65 57.92 1xhh s ILE 52 Cb -0.10 -1.30 -0.10 0.00 -1.58 0.00 0.00 42.46 39.37 1xhh s ILE 52 CO 0.66 0.43 1.89 -0.81 -1.23 0.00 0.00 174.94 175.89 1xhh n PRO 53 N 3.38 2.66 -4.09 2.79 -0.04 -1.26 -2.24 135.00 136.19 1xhh n PRO 53 Ca -0.20 0.97 -0.21 0.00 -0.04 0.00 0.00 63.50 64.03 1xhh n PRO 53 Cb 0.53 -2.88 -0.07 0.00 -0.04 0.00 0.00 33.50 31.04 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 5.08 0.00 0.00 0.52 -2.24 -1.04 -4.80 114.28 111.81 1xhh n THR 54 Ca 0.20 -2.14 0.00 0.00 -2.27 0.00 0.00 64.05 59.84 1xhh n THR 54 Cb 0.37 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.51 2.21 3.71 3.38 0.00 -1.26 -2.96 105.19 109.75 1xhh n GLY 55 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.55 3.51 -0.42 1.61 1.13 -1.26 -4.77 117.35 116.59 1xhh s TYR 56 Ca 0.00 1.44 -0.34 0.00 -1.41 0.00 0.00 57.07 56.76 1xhh s TYR 56 Cb 0.00 -3.31 -0.12 0.00 -1.10 0.00 0.00 41.96 37.43 1xhh s TYR 56 CO 0.00 -0.82 2.25 -3.47 -2.51 0.00 0.00 175.55 171.01 1xhh n ASP 57 N 3.99 1.92 -4.43 -0.18 2.03 -1.26 -4.85 116.55 113.77 1xhh n ASP 57 Ca 0.08 0.32 -0.44 0.00 0.52 0.00 0.00 54.79 55.27 1xhh n ASP 57 Cb 0.48 -1.25 -0.03 0.00 -0.72 0.00 0.00 41.12 39.60 1xhh n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1xhh s THR 58 N 7.86 4.68 -0.12 5.18 -1.32 -1.26 -4.74 115.64 125.92 1xhh s THR 58 Ca 1.11 -1.20 0.01 0.00 -1.21 0.00 0.00 61.69 60.40 1xhh s THR 58 Cb -0.86 -4.69 -0.08 0.00 -1.51 0.00 0.00 72.50 65.36 1xhh s THR 58 CO 0.48 -1.40 -0.10 0.59 -2.21 0.00 0.00 174.62 171.97 1xhh n ASN 59 N 6.68 3.07 -2.72 8.08 4.13 -1.26 -4.92 115.26 128.32 1xhh n ASN 59 Ca 0.10 -0.06 -0.07 0.00 1.68 0.00 0.00 54.58 56.23 1xhh n ASN 59 Cb 0.47 -0.16 0.08 0.00 -1.54 0.00 0.00 39.78 38.63 1xhh n ASN 59 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1xhh n LYS 60 N -2.83 0.69 -4.16 3.52 4.81 -1.26 -5.15 118.16 113.77 1xhh n LYS 60 Ca -0.21 -1.50 -0.16 0.00 -0.87 0.00 0.00 58.31 55.57 1xhh n LYS 60 Cb 0.73 -0.89 -0.06 0.00 0.02 0.00 0.00 35.03 34.83 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 -3.31 1.38 0.10 0.00 -2.07 -0.48 -4.92 119.66 110.36 1xhh s GLN 62 Ca 0.34 -1.74 0.08 0.00 -1.82 0.00 0.00 55.36 52.22 1xhh s GLN 62 Cb 0.01 0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 32.18 1xhh s GLN 62 CO 0.22 -0.48 -0.18 -1.59 -1.32 0.00 0.00 175.29 171.94 1xhh s LYS 63 N -3.93 1.87 -0.09 9.60 -2.85 -1.26 -2.27 119.74 120.80 1xhh s LYS 63 Ca 0.39 -1.12 -0.08 0.00 -1.00 0.00 0.00 55.97 54.16 1xhh s LYS 63 Cb 0.05 -2.14 0.03 0.00 -2.06 0.00 0.00 37.83 33.71 1xhh s LYS 63 CO 0.17 0.50 0.24 0.42 0.10 0.00 0.00 175.35 176.77 1xhh s ILE 64 N -1.09 -0.01 -0.37 3.79 1.01 -0.27 -4.92 121.20 119.34 1xhh s ILE 64 Ca 0.17 0.02 -0.21 0.00 0.00 0.00 0.00 60.65 60.63 1xhh s ILE 64 Cb -0.11 -0.34 0.01 0.00 0.01 0.00 0.00 42.46 42.03 1xhh s ILE 64 CO 0.09 0.01 0.69 -0.22 0.00 0.00 0.00 174.94 175.51 1xhh s LEU 65 N 0.29 4.24 -0.73 2.97 1.98 -1.26 -0.76 118.68 125.41 1xhh s LEU 65 Ca -0.01 0.14 -0.27 0.00 -2.89 0.00 0.00 54.13 51.10 1xhh s LEU 65 Cb -0.03 -2.87 0.03 0.00 0.66 0.00 0.00 46.19 43.99 1xhh s LEU 65 CO -0.01 -0.68 1.27 0.20 -1.89 0.00 0.00 176.35 175.24 1xhh s ASN 66 N 1.86 6.17 0.00 3.68 -0.87 -0.08 -4.82 114.94 120.88 1xhh s ASN 66 Ca 0.27 -0.43 0.04 0.00 -1.57 0.00 0.00 52.86 51.16 1xhh s ASN 66 Cb -0.14 -2.56 0.22 0.00 -0.02 0.00 0.00 41.25 38.76 1xhh s ASN 66 CO 0.16 -1.81 0.69 0.29 -2.57 0.00 0.00 177.10 173.86 1xhh n LYS 67 N 9.30 0.12 0.28 -0.60 4.01 -1.26 -2.37 118.16 127.63 1xhh n LYS 67 Ca 0.03 0.00 -0.16 0.00 -0.51 0.00 0.00 58.31 57.67 1xhh n LYS 67 Cb 0.49 -1.49 -0.08 0.00 -0.51 0.00 0.00 35.03 33.44 1xhh n LYS 67 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 1xhh h LYS 68 N 0.00 -0.76 -0.14 1.97 1.63 -1.94 -3.32 116.57 114.01 1xhh h LYS 68 Ca 0.00 0.05 -0.17 0.00 -0.85 0.00 0.00 60.65 59.68 1xhh h LYS 68 Cb 0.00 0.17 -0.26 0.00 -0.60 0.00 0.00 32.23 31.54 1xhh h LYS 68 CO 0.00 -0.51 -0.84 0.25 -3.45 0.00 0.00 179.45 174.90 1xhh n THR 69 N -5.46 1.19 -3.34 1.00 -2.24 -1.16 -5.01 114.28 99.26 1xhh n THR 69 Ca -0.11 -2.37 -0.14 0.00 -2.27 0.00 0.00 64.05 59.16 1xhh n THR 69 Cb 0.36 0.39 0.01 0.00 -2.10 0.00 0.00 70.33 68.99 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 -2.77 0.01 0.00 0.00 -4.23 -1.09 -4.99 115.64 102.57 1xhh s THR 71 Ca 0.08 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 58.72 1xhh s THR 71 Cb -0.01 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 1xhh s THR 71 CO 0.82 -0.06 -0.03 -0.31 -0.54 0.00 0.00 174.62 174.50 1xhh s TYR 72 N -4.12 3.00 0.21 3.99 2.02 -1.26 -0.90 117.35 120.28 1xhh s TYR 72 Ca 0.34 0.03 -0.01 0.00 -0.37 0.00 0.00 57.07 57.07 1xhh s TYR 72 Cb 0.06 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 1xhh s TYR 72 CO 0.10 0.43 0.13 0.95 -1.57 0.00 0.00 175.55 175.59 1xhh s THR 73 N -1.06 0.04 -0.15 -0.71 -4.23 0.06 -4.89 115.64 104.70 1xhh s THR 73 Ca 0.19 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.68 1xhh s THR 73 Cb -0.11 -2.51 0.05 0.00 1.34 0.00 0.00 72.50 71.26 1xhh s THR 73 CO 0.09 0.00 0.01 -0.69 -0.54 0.00 0.00 174.62 173.49 1xhh s VAL 74 N -4.11 0.59 0.44 2.29 1.01 -1.26 -1.12 120.40 118.24 1xhh s VAL 74 Ca 0.39 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1xhh s VAL 74 Cb 0.07 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1xhh s VAL 74 CO 0.13 0.01 0.32 0.68 0.00 0.00 0.00 175.10 176.23 1xhh s VAL 75 N 1.85 2.34 -0.00 2.92 -7.23 -0.96 0.27 120.40 119.59 1xhh s VAL 75 Ca 0.01 -1.49 0.02 0.00 -1.81 0.00 0.00 61.98 58.72 1xhh s VAL 75 Cb -0.15 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 1xhh s VAL 75 CO -0.07 0.00 -0.04 -0.70 -0.31 0.00 0.00 175.10 173.98 1xhh s GLU 76 N -4.09 2.66 0.00 4.82 2.12 -1.25 -1.38 118.70 121.58 1xhh s GLU 76 Ca 0.43 -0.67 0.09 0.00 0.36 0.00 0.00 54.97 55.18 1xhh s GLU 76 Cb -0.01 -2.58 0.39 0.00 0.26 0.00 0.00 34.13 32.20 1xhh s GLU 76 CO 0.25 0.61 1.28 1.63 -0.54 0.00 0.00 175.26 178.49 1xhh n LYS 77 N 1.52 0.01 -0.02 4.30 4.76 -1.26 -1.80 118.16 125.67 1xhh n LYS 77 Ca -0.15 0.34 0.01 0.00 -2.87 0.00 0.00 58.31 55.63 1xhh n LYS 77 Cb 0.53 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.24 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 -1.49 1.87 -2.88 1.97 4.81 -1.26 -4.82 118.16 116.36 1xhh n LYS 78 Ca 0.02 -1.30 -0.13 0.00 -0.87 0.00 0.00 58.31 56.04 1xhh n LYS 78 Cb 0.10 -1.04 0.01 0.00 0.02 0.00 0.00 35.03 34.13 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 -0.20 -2.05 -0.63 3.14 -0.08 -0.74 -4.98 116.55 111.01 1xhh n ASP 79 Ca 0.02 -3.12 0.00 0.00 -1.51 0.00 0.00 54.79 50.18 1xhh n ASP 79 Cb 0.21 1.13 0.00 0.00 2.34 0.00 0.00 41.12 44.80 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 1.63 0.32 0.00 -0.67 -0.05 -1.23 -1.82 135.00 133.17 1xhh n PRO 80 Ca 0.13 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.58 1xhh n PRO 80 Cb 0.60 -1.21 0.00 0.00 -0.05 0.00 0.00 33.50 32.84 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 0.47 -0.17 2.91 0.55 0.00 -1.26 -4.99 105.19 102.70 1xhh n GLY 81 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.09 0.33 0.61 1.61 1.02 -0.76 -5.14 119.74 117.33 1xhh s LYS 82 Ca 0.00 -0.09 -0.16 0.00 0.02 0.00 0.00 55.97 55.74 1xhh s LYS 82 Cb 0.00 -0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 36.92 1xhh s LYS 82 CO 0.00 0.03 1.07 0.95 -0.92 0.00 0.00 175.35 176.48 1xhh s THR 83 N 0.19 3.64 0.40 2.17 -4.23 -1.26 -3.92 115.64 112.64 1xhh s THR 83 Ca -0.02 0.78 -0.03 0.00 -1.18 0.00 0.00 61.69 61.24 1xhh s THR 83 Cb -0.05 -3.30 0.08 0.00 1.34 0.00 0.00 72.50 70.57 1xhh s THR 83 CO -0.00 -0.46 0.55 0.00 -0.54 0.00 0.00 174.62 174.16 1xhh s ASP 85 N -3.15 6.69 0.27 0.00 -1.08 -1.26 -4.88 116.67 113.25 1xhh s ASP 85 Ca 0.35 2.42 0.03 0.00 -0.52 0.00 0.00 52.55 54.83 1xhh s ASP 85 Cb -0.02 -2.62 -0.06 0.00 -1.46 0.00 0.00 42.92 38.76 1xhh s ASP 85 CO 0.23 -0.56 0.03 -0.69 0.52 0.00 0.00 175.17 174.70 1xhh s VAL 86 N -1.31 1.02 0.00 1.11 1.01 -1.26 -4.74 120.40 116.23 1xhh s VAL 86 Ca 0.53 -2.02 0.00 0.00 0.00 0.00 0.00 61.98 60.49 1xhh s VAL 86 Cb -0.33 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.51 1xhh s VAL 86 CO 0.42 -0.17 0.00 0.41 0.00 0.00 0.00 175.10 175.77 1xhh n THR 87 N -0.51 0.00 -2.30 3.92 -1.04 -1.26 -4.76 114.28 108.33 1xhh n THR 87 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1xhh n THR 87 Cb 0.65 -0.15 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.44 1.25 3.25 3.41 0.00 -1.15 -4.98 105.19 107.41 1xhh n GLY 88 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.55 0.01 -0.11 1.61 0.51 -1.26 -2.48 118.94 115.67 1xhh s TRP 89 Ca 0.00 -0.40 -0.06 0.00 -2.12 0.00 0.00 56.10 53.53 1xhh s TRP 89 Cb 0.00 0.07 0.05 0.00 -0.81 0.00 0.00 33.47 32.77 1xhh s TRP 89 CO 0.00 -0.61 0.26 0.08 -0.51 0.00 0.00 176.95 176.17 1xhh s VAL 90 N -3.84 -0.04 -2.08 4.03 1.01 -0.95 -4.83 120.40 113.71 1xhh s VAL 90 Ca 0.04 0.14 0.31 0.00 0.00 0.00 0.00 61.98 62.47 1xhh s VAL 90 Cb 0.04 -0.39 0.85 0.00 0.00 0.00 0.00 36.38 36.88 1xhh s VAL 90 CO -0.11 0.06 2.16 -0.11 0.00 0.00 0.00 175.10 177.09