#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 -2.53 0.69 -0.02 0.00 5.04 -0.76 -4.98 117.35 114.77 1xhh s TYR 3 Ca 0.00 -0.16 0.02 0.00 -2.44 0.00 0.00 57.07 54.49 1xhh s TYR 3 Cb 0.00 -0.44 -0.03 0.00 0.35 0.00 0.00 41.96 41.84 1xhh s TYR 3 CO 0.00 -0.01 -0.05 -0.06 -1.34 0.00 0.00 175.55 174.09 1xhh s PHE 4 N -0.28 2.97 -0.12 4.97 0.40 -1.26 -1.05 117.98 123.62 1xhh s PHE 4 Ca 0.02 0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.36 1xhh s PHE 4 Cb -0.03 -1.67 0.03 0.00 0.51 0.00 0.00 43.02 41.86 1xhh s PHE 4 CO -0.00 0.39 -0.02 0.42 0.70 0.00 0.00 175.22 176.71 1xhh s ILE 5 N -0.96 0.64 0.11 0.64 1.09 0.11 -4.97 121.20 117.87 1xhh s ILE 5 Ca 0.16 -0.19 -0.31 0.00 -1.10 0.00 0.00 60.65 59.21 1xhh s ILE 5 Cb -0.11 -0.84 -0.10 0.00 -1.06 0.00 0.00 42.46 40.35 1xhh s ILE 5 CO 0.06 0.18 1.83 -2.84 -0.10 0.00 0.00 174.94 174.07 1xhh s PRO 6 N 1.85 4.14 -0.31 2.79 0.02 -1.26 -1.81 135.00 140.42 1xhh s PRO 6 Ca 0.03 2.59 -0.38 0.00 0.02 0.00 0.00 61.00 63.26 1xhh s PRO 6 Cb -0.14 -3.64 -0.14 0.00 0.02 0.00 0.00 34.50 30.61 1xhh s PRO 6 CO -0.07 -0.85 1.98 -1.71 -0.33 0.00 0.00 177.00 176.03 1xhh n ASN 7 N 5.82 2.23 -1.45 2.53 2.85 -1.08 -4.79 115.26 121.38 1xhh n ASN 7 Ca 0.18 0.75 0.11 0.00 -0.11 0.00 0.00 54.58 55.51 1xhh n ASN 7 Cb 0.38 -1.19 0.34 0.00 1.24 0.00 0.00 39.78 40.55 1xhh n ASN 7 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xhh n GLN 8 N 6.89 3.05 -1.17 1.20 3.00 -1.26 -4.98 117.38 124.11 1xhh n GLN 8 Ca 0.35 -2.76 -0.36 0.00 -0.01 0.00 0.00 57.00 54.22 1xhh n GLN 8 Cb 0.17 -1.68 0.06 0.00 0.00 0.00 0.00 30.24 28.79 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 1.53 -2.46 0.08 1.08 7.64 -1.26 -4.79 113.62 115.43 1xhh n SER 9 Ca 0.25 0.51 0.08 0.00 1.01 0.00 0.00 58.87 60.72 1xhh n SER 9 Cb 0.71 -1.08 0.53 0.00 -1.01 0.00 0.00 64.21 63.36 1xhh n SER 9 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1xhh h LEU 10 N -0.53 0.26 -7.91 -3.43 3.38 -1.98 -3.44 115.31 101.66 1xhh h LEU 10 Ca -0.44 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.43 1xhh h LEU 10 Cb 1.35 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.91 1xhh h LEU 10 CO 0.39 0.18 -0.30 -1.59 0.09 0.00 0.00 178.44 177.20 1xhh s LYS 11 N -5.30 1.05 0.00 1.13 -2.85 -1.26 -5.17 119.74 107.35 1xhh s LYS 11 Ca -0.07 -1.05 0.00 0.00 -1.00 0.00 0.00 55.97 53.86 1xhh s LYS 11 Cb 0.18 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.33 1xhh s LYS 11 CO 0.71 -0.38 0.00 -0.35 0.10 0.00 0.00 175.35 175.44 1xhh n PRO 12 N -0.17 -0.57 -3.94 1.78 -0.04 -1.26 -4.13 135.00 126.66 1xhh n PRO 12 Ca -0.11 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.04 1xhh n PRO 12 Cb 0.63 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.11 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 -1.80 -4.72 -3.50 3.54 4.13 -1.26 -4.93 115.26 106.71 1xhh n ASN 13 Ca 0.00 -0.80 -0.13 0.00 1.68 0.00 0.00 54.58 55.33 1xhh n ASN 13 Cb 0.00 -3.79 -0.05 0.00 -1.54 0.00 0.00 39.78 34.40 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1xhh s GLU 14 N -6.66 1.76 -0.43 3.52 2.02 -1.26 -3.32 118.70 114.35 1xhh s GLU 14 Ca 0.68 -1.64 0.08 0.00 0.02 0.00 0.00 54.97 54.11 1xhh s GLU 14 Cb -0.34 0.43 0.34 0.00 0.10 0.00 0.00 34.13 34.66 1xhh s GLU 14 CO 0.84 -0.72 1.04 0.00 0.02 0.00 0.00 175.26 176.44 1xhh s GLN 16 N -0.56 3.45 -0.09 0.00 -0.21 -1.26 -3.73 119.66 117.26 1xhh s GLN 16 Ca 0.27 -0.48 -0.07 0.00 0.02 0.00 0.00 55.36 55.10 1xhh s GLN 16 Cb 0.32 -3.00 0.03 0.00 1.00 0.00 0.00 33.01 31.36 1xhh s GLN 16 CO -0.06 0.57 0.23 0.34 -2.12 0.00 0.00 175.29 174.25 1xhh s ASP 17 N -2.77 -0.24 0.61 5.90 -1.08 -1.24 -4.10 116.67 113.75 1xhh s ASP 17 Ca 0.35 0.47 0.00 0.00 -0.52 0.00 0.00 52.55 52.85 1xhh s ASP 17 Cb -0.12 0.44 0.00 0.00 -1.46 0.00 0.00 42.92 41.77 1xhh s ASP 17 CO 0.28 -0.11 0.00 0.18 0.52 0.00 0.00 175.17 176.04 1xhh n LEU 18 N 3.37 0.00 -0.00 -1.34 4.77 -1.26 -2.53 117.00 120.01 1xhh n LEU 18 Ca -0.17 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.84 1xhh n LEU 18 Cb 0.57 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.62 1xhh n LEU 18 CO 0.17 0.00 -0.55 0.29 -1.33 0.00 0.00 177.39 175.97 1xhh n LYS 19 N 14.00 0.19 0.01 3.23 4.76 -1.26 -4.70 118.16 134.39 1xhh n LYS 19 Ca 0.00 -0.04 -0.12 0.00 -2.87 0.00 0.00 58.31 55.27 1xhh n LYS 19 Cb 0.00 -1.11 -0.09 0.00 -1.84 0.00 0.00 35.03 31.98 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 0.90 -0.11 -1.73 0.72 0.00 -1.94 -3.45 103.07 97.46 1xhh h GLY 20 Ca 0.00 0.04 -0.49 0.00 0.00 0.00 0.00 47.33 46.88 1xhh h GLY 20 CO 0.00 -0.04 0.38 0.14 0.00 0.00 0.00 176.54 177.02 1xhh s VAL 21 N -3.61 3.88 0.00 4.60 1.01 -1.05 -4.98 120.40 120.25 1xhh s VAL 21 Ca -0.15 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.72 1xhh s VAL 21 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1xhh s VAL 21 CO 0.58 -0.53 0.00 -1.20 0.00 0.00 0.00 175.10 173.96 1xhh n SER 22 N -2.00 0.00 -3.73 3.32 7.64 -1.26 -3.60 113.62 113.99 1xhh n SER 22 Ca 0.09 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.84 1xhh n SER 22 Cb 0.53 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.65 1xhh n SER 22 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1xhh s HIS 23 N 0.00 -0.18 1.23 1.43 3.76 -1.24 -4.97 115.29 115.31 1xhh s HIS 23 Ca 0.00 0.15 -0.18 0.00 -0.15 0.00 0.00 55.06 54.88 1xhh s HIS 23 Cb 0.00 0.13 0.26 0.00 1.11 0.00 0.00 32.58 34.07 1xhh s HIS 23 CO 0.00 -0.48 0.60 -0.35 -0.85 0.00 0.00 174.74 173.65 1xhh n PRO 24 N 0.80 -2.97 0.00 8.40 -0.04 -1.26 -0.87 135.00 139.06 1xhh n PRO 24 Ca -0.20 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 1xhh n PRO 24 Cb 0.58 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 -3.75 0.00 -3.25 1.53 0.00 -1.21 -3.99 117.00 106.33 1xhh n LEU 25 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 56.01 55.83 1xhh n LEU 25 Cb 0.54 0.00 0.02 0.00 0.00 0.00 0.00 43.42 43.99 1xhh n LEU 25 CO 0.45 -0.97 -0.23 0.59 0.00 0.00 0.00 177.39 177.23 1xhh n ASN 26 N -1.35 -6.45 -2.89 1.96 3.02 -1.26 -4.90 115.26 103.39 1xhh n ASN 26 Ca 0.00 0.20 -0.05 0.00 -0.03 0.00 0.00 54.58 54.70 1xhh n ASN 26 Cb 0.00 -2.87 -0.00 0.00 -0.61 0.00 0.00 39.78 36.30 1xhh n ASN 26 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xhh s SER 27 N -1.72 -1.23 -0.17 6.41 0.15 -1.26 -5.11 113.70 110.77 1xhh s SER 27 Ca 0.28 -1.65 -0.04 0.00 0.70 0.00 0.00 55.95 55.25 1xhh s SER 27 Cb -0.04 1.74 -0.02 0.00 -1.71 0.00 0.00 66.02 65.99 1xhh s SER 27 CO 0.73 -0.08 -0.04 0.68 1.20 0.00 0.00 173.24 175.73 1xhh s VAL 28 N 1.01 3.77 -0.05 4.45 -7.23 -1.26 -3.53 120.40 117.55 1xhh s VAL 28 Ca 0.27 -0.39 -0.13 0.00 -1.81 0.00 0.00 61.98 59.92 1xhh s VAL 28 Cb -0.01 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.29 1xhh s VAL 28 CO -0.06 0.47 0.31 -1.66 -0.31 0.00 0.00 175.10 173.85 1xhh s TRP 29 N 0.64 -0.24 0.22 2.82 -2.14 -0.97 -5.03 118.94 114.23 1xhh s TRP 29 Ca -0.02 0.49 -0.00 0.00 2.66 0.00 0.00 56.10 59.22 1xhh s TRP 29 Cb -0.14 0.10 -0.04 0.00 -3.10 0.00 0.00 33.47 30.29 1xhh s TRP 29 CO 0.02 -0.31 0.13 0.15 -2.66 0.00 0.00 176.95 174.29 1xhh s LYS 30 N -0.77 1.27 0.41 3.25 1.02 -1.26 -2.59 119.74 121.06 1xhh s LYS 30 Ca -0.09 -1.68 0.07 0.00 0.02 0.00 0.00 55.97 54.30 1xhh s LYS 30 Cb -0.04 0.19 -0.06 0.00 -0.52 0.00 0.00 37.83 37.40 1xhh s LYS 30 CO 0.03 -0.39 0.14 0.95 -0.92 0.00 0.00 175.35 175.16 1xhh s THR 31 N -4.05 2.24 0.16 2.17 -4.23 -1.00 -5.02 115.64 105.92 1xhh s THR 31 Ca 0.39 -1.76 -0.17 0.00 -1.18 0.00 0.00 61.69 58.97 1xhh s THR 31 Cb 0.07 -3.00 0.08 0.00 1.34 0.00 0.00 72.50 70.99 1xhh s THR 31 CO 0.13 -0.00 1.68 0.50 -0.54 0.00 0.00 174.62 176.39 1xhh h LYS 32 N 1.50 0.04 0.00 3.99 3.64 -1.94 -3.40 116.57 120.40 1xhh h LYS 32 Ca -0.43 -0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 58.81 1xhh h LYS 32 Cb 1.25 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.94 1xhh h LYS 32 CO 0.72 0.03 -0.07 -3.47 -2.27 0.00 0.00 179.45 174.38 1xhh n ASP 33 N -5.26 -1.54 0.00 4.20 2.03 -1.26 -5.01 116.55 109.72 1xhh n ASP 33 Ca 0.02 -2.30 0.00 0.00 0.52 0.00 0.00 54.79 53.03 1xhh n ASP 33 Cb 0.21 1.29 0.00 0.00 -0.72 0.00 0.00 41.12 41.90 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 -1.00 1.23 -0.29 0.00 2.12 -1.26 -2.94 118.70 116.55 1xhh s GLU 35 Ca 0.00 -1.00 0.01 0.00 0.36 0.00 0.00 54.97 54.34 1xhh s GLU 35 Cb 0.00 0.44 0.15 0.00 0.26 0.00 0.00 34.13 34.98 1xhh s GLU 35 CO 0.00 -0.48 0.37 -2.00 -0.54 0.00 0.00 175.26 172.60 1xhh s GLU 36 N -3.91 0.39 -0.15 4.30 2.12 -0.29 -2.38 118.70 118.77 1xhh s GLU 36 Ca 0.12 -0.00 -0.02 0.00 0.36 0.00 0.00 54.97 55.43 1xhh s GLU 36 Cb 0.01 -0.44 -0.02 0.00 0.26 0.00 0.00 34.13 33.94 1xhh s GLU 36 CO -0.03 -1.04 -0.09 0.00 -0.54 0.00 0.00 175.26 173.57 1xhh s THR 38 N 0.54 1.36 -0.34 0.00 -4.23 -0.84 -2.29 115.64 109.83 1xhh s THR 38 Ca -0.06 -1.71 -0.06 0.00 -1.18 0.00 0.00 61.69 58.68 1xhh s THR 38 Cb -0.15 -1.53 0.04 0.00 1.34 0.00 0.00 72.50 72.20 1xhh s THR 38 CO 0.03 -0.40 0.11 0.00 -0.54 0.00 0.00 174.62 173.83 1xhh n GLY 40 N 4.81 0.49 0.00 0.00 0.00 0.13 -4.78 105.19 105.84 1xhh n GLY 40 Ca -0.12 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.00 0.00 -1.28 1.61 3.00 -1.26 -3.92 117.38 114.53 1xhh n GLN 41 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 1xhh n GLN 41 Cb 0.00 -0.46 0.13 0.00 0.00 0.00 0.00 30.24 29.91 1xhh n GLN 41 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1xhh n ASP 42 N 0.00 4.56 -3.74 1.08 5.75 -1.26 -4.94 116.55 118.00 1xhh n ASP 42 Ca 0.00 -3.76 -0.10 0.00 -0.01 0.00 0.00 54.79 50.92 1xhh n ASP 42 Cb 0.00 -0.69 -0.06 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 -3.49 -0.64 -0.06 2.12 0.00 -1.25 -2.63 121.76 115.80 1xhh s ALA 43 Ca 0.53 -0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1xhh s ALA 43 Cb 0.45 0.49 0.01 0.00 0.00 0.00 0.00 23.12 24.07 1xhh s ALA 43 CO 0.02 -0.52 -0.13 0.42 0.00 0.00 0.00 175.76 175.55 1xhh s ILE 44 N -3.34 1.19 -0.33 0.00 1.01 -0.75 -0.69 121.20 118.29 1xhh s ILE 44 Ca 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 60.65 60.07 1xhh s ILE 44 Cb 0.02 -1.08 0.04 0.00 0.01 0.00 0.00 42.46 41.45 1xhh s ILE 44 CO -0.08 0.37 0.09 -0.55 0.00 0.00 0.00 174.94 174.77 1xhh s SER 45 N 0.57 5.28 -0.17 3.58 0.15 -1.06 -0.71 113.70 121.33 1xhh s SER 45 Ca -0.13 -1.14 -0.00 0.00 0.70 0.00 0.00 55.95 55.37 1xhh s SER 45 Cb -0.15 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.30 1xhh s SER 45 CO 0.04 -0.32 -0.14 0.00 1.20 0.00 0.00 173.24 174.02 1xhh s ASN 48 N 0.67 1.82 0.00 0.00 4.22 -1.26 -1.14 114.94 119.25 1xhh s ASN 48 Ca -0.02 -0.30 0.15 0.00 -2.14 0.00 0.00 52.86 50.55 1xhh s ASN 48 Cb -0.14 -0.83 0.25 0.00 1.28 0.00 0.00 41.25 41.81 1xhh s ASN 48 CO 0.02 0.02 1.08 0.35 -2.04 0.00 0.00 177.10 176.53 1xhh n THR 49 N 3.92 0.00 -3.63 0.54 -2.24 -1.15 -4.99 114.28 106.72 1xhh n THR 49 Ca -0.22 -0.59 -0.39 0.00 -2.27 0.00 0.00 64.05 60.59 1xhh n THR 49 Cb 0.52 0.78 -0.08 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.00 3.74 0.51 6.98 0.00 -1.25 -5.01 121.76 126.74 1xhh s ALA 50 Ca 0.20 -3.34 0.00 0.00 0.00 0.00 0.00 51.96 48.82 1xhh s ALA 50 Cb 0.23 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1xhh s ALA 50 CO -0.10 -2.15 0.00 0.00 0.00 0.00 0.00 175.76 173.51 1xhh n ALA 51 N 3.47 -2.62 -3.50 0.00 0.00 -1.26 -4.74 120.51 111.86 1xhh n ALA 51 Ca 0.10 0.61 -0.14 0.00 0.00 0.00 0.00 53.44 54.01 1xhh n ALA 51 Cb 0.39 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.32 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 -4.83 -0.04 0.15 0.00 -1.09 -1.21 -4.92 121.20 109.26 1xhh s ILE 52 Ca 0.00 0.14 -0.32 0.00 -2.23 0.00 0.00 60.65 58.24 1xhh s ILE 52 Cb 0.00 -0.13 -0.11 0.00 -1.58 0.00 0.00 42.46 40.64 1xhh s ILE 52 CO 0.00 0.06 1.79 -2.65 -1.23 0.00 0.00 174.94 172.91 1xhh n PRO 53 N 3.83 2.77 -2.08 2.79 -0.01 -1.26 -2.69 135.00 138.35 1xhh n PRO 53 Ca -0.23 1.00 -0.07 0.00 -0.01 0.00 0.00 63.50 64.20 1xhh n PRO 53 Cb 0.54 -2.88 0.00 0.00 -0.01 0.00 0.00 33.50 31.15 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 4.41 0.00 -0.53 3.45 -2.24 -1.20 -4.52 114.28 113.66 1xhh n THR 54 Ca 0.17 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1xhh n THR 54 Cb 0.36 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 3.31 0.00 3.66 3.38 0.00 -1.26 -4.08 105.19 110.19 1xhh n GLY 55 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.57 3.33 -0.60 1.61 5.04 -1.26 -4.66 117.35 120.24 1xhh s TYR 56 Ca 0.00 1.37 -0.24 0.00 -2.44 0.00 0.00 57.07 55.77 1xhh s TYR 56 Cb 0.00 -3.20 0.05 0.00 0.35 0.00 0.00 41.96 39.16 1xhh s TYR 56 CO 0.00 -0.45 0.97 -0.51 -1.34 0.00 0.00 175.55 174.22 1xhh s ASP 57 N 1.24 6.27 -0.86 4.32 1.11 -1.26 -4.93 116.67 122.56 1xhh s ASP 57 Ca 0.41 -0.58 -0.18 0.00 0.18 0.00 0.00 52.55 52.39 1xhh s ASP 57 Cb -0.15 -2.44 -0.22 0.00 1.07 0.00 0.00 42.92 41.18 1xhh s ASP 57 CO 0.07 -1.34 2.23 1.07 1.18 0.00 0.00 175.17 178.37 1xhh n THR 58 N 6.11 0.00 -0.02 -1.27 5.66 -1.26 -4.57 114.28 118.93 1xhh n THR 58 Ca -0.00 -0.47 -0.03 0.00 -3.05 0.00 0.00 64.05 60.50 1xhh n THR 58 Cb 0.47 -1.08 -0.01 0.00 -1.55 0.00 0.00 70.33 68.16 1xhh n THR 58 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1xhh n ASN 59 N 12.73 0.88 -2.60 1.09 5.15 -1.26 -4.97 115.26 126.27 1xhh n ASN 59 Ca 0.53 0.14 -0.04 0.00 -0.60 0.00 0.00 54.58 54.61 1xhh n ASN 59 Cb 0.32 -0.44 0.11 0.00 -0.53 0.00 0.00 39.78 39.23 1xhh n ASN 59 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1xhh n LYS 60 N -3.36 1.16 -4.46 1.20 2.85 -1.26 -5.14 118.16 109.15 1xhh n LYS 60 Ca -0.04 -1.32 -0.24 0.00 -1.05 0.00 0.00 58.31 55.66 1xhh n LYS 60 Cb 0.17 0.22 -0.08 0.00 -0.65 0.00 0.00 35.03 34.68 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 -3.66 0.73 -0.13 0.00 -2.07 -0.78 -4.95 119.66 108.81 1xhh s GLN 62 Ca 0.28 -1.07 -0.01 0.00 -1.82 0.00 0.00 55.36 52.74 1xhh s GLN 62 Cb 0.02 -0.37 -0.02 0.00 -1.09 0.00 0.00 33.01 31.56 1xhh s GLN 62 CO 0.17 0.05 -0.10 -1.59 -1.32 0.00 0.00 175.29 172.50 1xhh s LYS 63 N -2.65 3.36 0.15 9.60 -2.85 -1.26 -2.37 119.74 123.71 1xhh s LYS 63 Ca 0.02 -0.62 0.05 0.00 -1.00 0.00 0.00 55.97 54.42 1xhh s LYS 63 Cb -0.03 -2.70 -0.04 0.00 -2.06 0.00 0.00 37.83 33.00 1xhh s LYS 63 CO -0.01 0.30 -0.12 -1.50 0.10 0.00 0.00 175.35 174.11 1xhh s ILE 64 N 0.17 1.29 -0.29 3.79 1.10 -0.15 -4.98 121.20 122.13 1xhh s ILE 64 Ca -0.05 -1.96 -0.07 0.00 -0.51 0.00 0.00 60.65 58.06 1xhh s ILE 64 Cb -0.15 -1.75 -0.00 0.00 0.15 0.00 0.00 42.46 40.71 1xhh s ILE 64 CO 0.04 -0.62 0.08 -0.22 -2.11 0.00 0.00 174.94 172.12 1xhh s LEU 65 N -2.94 3.77 0.05 8.50 0.20 -1.26 -0.80 118.68 126.20 1xhh s LEU 65 Ca 0.15 -0.57 -0.30 0.00 0.69 0.00 0.00 54.13 54.10 1xhh s LEU 65 Cb -0.00 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 1xhh s LEU 65 CO 0.02 -0.15 0.99 0.21 -0.29 0.00 0.00 176.35 177.13 1xhh s ASN 66 N 1.54 7.40 0.00 3.68 2.47 0.26 -4.89 114.94 125.40 1xhh s ASN 66 Ca 0.04 1.73 0.25 0.00 0.42 0.00 0.00 52.86 55.31 1xhh s ASN 66 Cb -0.17 -2.58 0.54 0.00 -1.45 0.00 0.00 41.25 37.59 1xhh s ASN 66 CO 0.03 -0.20 1.43 2.29 -3.72 0.00 0.00 177.10 176.92 1xhh n LYS 67 N 3.48 0.62 0.08 0.43 2.85 -1.26 -1.28 118.16 123.08 1xhh n LYS 67 Ca 0.05 -0.40 -0.12 0.00 -1.05 0.00 0.00 58.31 56.79 1xhh n LYS 67 Cb 0.50 -1.49 -0.05 0.00 -0.65 0.00 0.00 35.03 33.34 1xhh n LYS 67 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1xhh h LYS 68 N 0.98 -0.28 0.00 -1.58 3.64 -1.95 -3.28 116.57 114.09 1xhh h LYS 68 Ca 0.00 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 1xhh h LYS 68 Cb 0.53 0.06 -0.19 0.00 -0.41 0.00 0.00 32.23 32.23 1xhh h LYS 68 CO 0.00 -0.19 -0.74 0.25 -2.27 0.00 0.00 179.45 176.50 1xhh n THR 69 N -5.29 1.00 -3.25 1.00 -2.24 -1.26 -5.02 114.28 99.22 1xhh n THR 69 Ca -0.06 -1.94 -0.17 0.00 -2.27 0.00 0.00 64.05 59.61 1xhh n THR 69 Cb 0.20 0.41 0.01 0.00 -2.10 0.00 0.00 70.33 68.85 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 -2.49 0.00 -0.00 0.00 -4.23 -0.40 -4.97 115.64 103.55 1xhh s THR 71 Ca 0.18 -1.77 0.04 0.00 -1.18 0.00 0.00 61.69 58.96 1xhh s THR 71 Cb -0.03 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 1xhh s THR 71 CO 0.82 0.00 -0.10 -0.31 -0.54 0.00 0.00 174.62 174.48 1xhh s TYR 72 N -3.84 2.79 -0.00 3.99 2.02 -1.26 0.93 117.35 121.97 1xhh s TYR 72 Ca 0.33 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.93 1xhh s TYR 72 Cb 0.03 -1.59 0.00 0.00 -0.40 0.00 0.00 41.96 40.00 1xhh s TYR 72 CO 0.15 0.31 0.00 0.95 -1.57 0.00 0.00 175.55 175.39 1xhh s THR 73 N -0.92 0.02 -0.29 -0.71 -4.23 0.02 -4.88 115.64 104.66 1xhh s THR 73 Ca 0.15 0.01 -0.05 0.00 -1.18 0.00 0.00 61.69 60.62 1xhh s THR 73 Cb -0.11 -0.03 0.02 0.00 1.34 0.00 0.00 72.50 73.72 1xhh s THR 73 CO 0.05 0.01 0.04 -0.69 -0.54 0.00 0.00 174.62 173.50 1xhh s VAL 74 N 0.10 3.58 0.39 2.29 1.01 -1.26 -0.98 120.40 125.53 1xhh s VAL 74 Ca -0.01 -0.91 0.08 0.00 0.00 0.00 0.00 61.98 61.14 1xhh s VAL 74 Cb -0.01 -2.88 -0.03 0.00 0.00 0.00 0.00 36.38 33.45 1xhh s VAL 74 CO -0.00 0.05 0.27 0.68 0.00 0.00 0.00 175.10 176.10 1xhh s VAL 75 N 1.42 2.73 -0.12 2.92 -7.23 -1.00 0.02 120.40 119.15 1xhh s VAL 75 Ca 0.01 -1.50 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1xhh s VAL 75 Cb -0.18 -3.02 -0.03 0.00 0.56 0.00 0.00 36.38 33.72 1xhh s VAL 75 CO 0.00 -0.05 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.99 1xhh s GLU 76 N -4.00 3.30 0.02 4.82 2.12 -1.24 -1.87 118.70 121.85 1xhh s GLU 76 Ca 0.44 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 55.25 1xhh s GLU 76 Cb -0.01 -2.78 0.06 0.00 0.26 0.00 0.00 34.13 31.66 1xhh s GLU 76 CO 0.25 0.42 0.92 1.63 -0.54 0.00 0.00 175.26 177.94 1xhh n LYS 77 N 2.98 0.01 -0.09 4.30 4.76 -1.26 0.94 118.16 129.79 1xhh n LYS 77 Ca -0.18 0.39 0.06 0.00 -2.87 0.00 0.00 58.31 55.72 1xhh n LYS 77 Cb 0.53 -1.65 0.11 0.00 -1.84 0.00 0.00 35.03 32.17 1xhh n LYS 77 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xhh n LYS 78 N -1.43 1.72 -2.79 1.97 5.02 -1.26 -4.76 118.16 116.63 1xhh n LYS 78 Ca -0.00 -1.65 -0.08 0.00 -2.02 0.00 0.00 58.31 54.56 1xhh n LYS 78 Cb 0.13 -1.27 0.03 0.00 -0.02 0.00 0.00 35.03 33.90 1xhh n LYS 78 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xhh n ASP 79 N 0.68 -2.92 -1.05 4.39 -0.08 0.27 -5.00 116.55 112.85 1xhh n ASP 79 Ca 0.10 -3.11 0.00 0.00 -1.51 0.00 0.00 54.79 50.27 1xhh n ASP 79 Cb 0.38 1.64 0.00 0.00 2.34 0.00 0.00 41.12 45.47 1xhh n ASP 79 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1xhh n PRO 80 N 2.15 0.21 0.00 -0.67 -0.02 -1.20 -2.43 135.00 133.04 1xhh n PRO 80 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1xhh n PRO 80 Cb 0.60 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 1xhh n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xhh n GLY 81 N 0.94 0.00 3.91 -1.23 0.00 -1.26 -4.98 105.19 102.58 1xhh n GLY 81 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.03 3.59 0.38 1.61 -0.14 -1.02 -5.08 119.74 118.05 1xhh s LYS 82 Ca 0.00 -0.09 -0.16 0.00 -1.36 0.00 0.00 55.97 54.35 1xhh s LYS 82 Cb 0.00 -2.68 -0.09 0.00 -1.68 0.00 0.00 37.83 33.38 1xhh s LYS 82 CO 0.00 0.24 0.82 0.95 -0.76 0.00 0.00 175.35 176.60 1xhh s THR 83 N -2.08 4.60 0.00 2.17 -4.23 -1.26 -3.95 115.64 110.89 1xhh s THR 83 Ca 0.42 1.09 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 1xhh s THR 83 Cb -0.11 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.10 1xhh s THR 83 CO 0.31 -0.31 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1xhh s ASP 85 N -1.00 6.30 0.43 0.00 1.11 -1.26 -4.99 116.67 117.26 1xhh s ASP 85 Ca 0.00 1.14 0.07 0.00 0.18 0.00 0.00 52.55 53.94 1xhh s ASP 85 Cb 0.00 -2.54 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 1xhh s ASP 85 CO 0.00 -1.40 0.21 -0.69 1.18 0.00 0.00 175.17 174.47 1xhh s VAL 86 N 5.53 2.23 0.00 -1.27 1.01 -1.26 -4.71 120.40 121.93 1xhh s VAL 86 Ca 0.66 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.99 1xhh s VAL 86 Cb -0.18 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1xhh s VAL 86 CO 0.31 0.00 0.00 0.41 0.00 0.00 0.00 175.10 175.82 1xhh n THR 87 N -1.32 0.00 -2.94 3.92 -1.04 -1.26 -4.98 114.28 106.66 1xhh n THR 87 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1xhh n THR 87 Cb 0.64 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 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 1.83 -0.55 3.20 3.41 0.00 -1.26 -5.03 105.19 106.80 1xhh n GLY 88 Ca 0.00 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.13 -0.07 -0.10 1.61 0.51 -1.26 -3.20 118.94 113.29 1xhh s TRP 89 Ca 0.00 0.02 -0.01 0.00 -2.12 0.00 0.00 56.10 53.99 1xhh s TRP 89 Cb 0.00 0.04 -0.03 0.00 -0.81 0.00 0.00 33.47 32.67 1xhh s TRP 89 CO 0.00 -0.40 -0.05 0.54 -0.51 0.00 0.00 176.95 176.53 1xhh s VAL 90 N -1.83 3.80 -2.00 4.03 0.11 -1.09 -4.89 120.40 118.53 1xhh s VAL 90 Ca -0.10 -0.42 0.23 0.00 -2.93 0.00 0.00 61.98 58.75 1xhh s VAL 90 Cb -0.04 -2.59 0.65 0.00 -1.53 0.00 0.00 36.38 32.86 1xhh s VAL 90 CO 0.01 0.56 1.73 -0.11 -3.33 0.00 0.00 175.10 173.96