#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 -3.92 0.04 -0.08 0.00 1.13 -1.07 -5.02 117.35 108.43 1xhh s TYR 3 Ca 0.13 -0.42 0.02 0.00 -1.41 0.00 0.00 57.07 55.39 1xhh s TYR 3 Cb -0.04 0.08 -0.02 0.00 -1.10 0.00 0.00 41.96 40.88 1xhh s TYR 3 CO 0.05 -0.65 -0.14 -0.06 -2.51 0.00 0.00 175.55 172.24 1xhh s PHE 4 N -3.86 2.74 -0.19 -3.49 0.08 -1.26 -2.60 117.98 109.41 1xhh s PHE 4 Ca 0.06 -0.35 0.01 0.00 0.12 0.00 0.00 56.93 56.77 1xhh s PHE 4 Cb 0.03 -1.71 0.03 0.00 -0.57 0.00 0.00 43.02 40.81 1xhh s PHE 4 CO -0.09 0.03 -0.14 0.42 -0.10 0.00 0.00 175.22 175.34 1xhh s ILE 5 N -0.32 1.81 0.68 0.64 1.01 -0.19 -4.99 121.20 119.84 1xhh s ILE 5 Ca 0.03 -0.98 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 1xhh s ILE 5 Cb -0.13 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.58 1xhh s ILE 5 CO 0.03 0.32 1.27 -2.16 0.00 0.00 0.00 174.94 174.39 1xhh s PRO 6 N 1.35 2.38 0.60 2.79 0.05 -1.26 -1.91 135.00 139.00 1xhh s PRO 6 Ca 0.01 1.98 -0.19 0.00 0.05 0.00 0.00 61.00 62.85 1xhh s PRO 6 Cb -0.15 -1.84 -0.05 0.00 0.05 0.00 0.00 34.50 32.52 1xhh s PRO 6 CO -0.10 -1.71 0.99 -1.71 0.05 0.00 0.00 177.00 174.53 1xhh n ASN 7 N -2.19 0.90 0.00 6.66 2.85 -1.26 -4.81 115.26 117.40 1xhh n ASN 7 Ca 0.15 0.81 0.00 0.00 -0.11 0.00 0.00 54.58 55.44 1xhh n ASN 7 Cb 0.49 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 40.10 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 -1.04 -0.08 -0.06 1.20 3.00 -1.26 -5.02 117.38 114.11 1xhh n GLN 8 Ca 0.14 -0.15 -0.09 0.00 -0.01 0.00 0.00 57.00 56.89 1xhh n GLN 8 Cb 0.47 -0.58 0.08 0.00 0.00 0.00 0.00 30.24 30.21 1xhh n GLN 8 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1xhh n SER 9 N -0.01 -2.61 0.00 1.08 3.41 -1.26 -4.94 113.62 109.29 1xhh n SER 9 Ca 0.00 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.36 1xhh n SER 9 Cb 0.24 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1xhh n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xhh n LEU 10 N 0.00 1.58 -4.80 1.04 -0.00 -1.26 -5.04 117.00 108.53 1xhh n LEU 10 Ca 0.04 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.73 1xhh n LEU 10 Cb 0.17 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.52 1xhh n LEU 10 CO 0.11 0.26 -0.24 -0.54 -0.00 0.00 0.00 177.39 176.98 1xhh s LYS 11 N -1.96 3.04 1.12 1.47 3.01 -1.26 -5.10 119.74 120.06 1xhh s LYS 11 Ca 0.00 -0.55 -0.14 0.00 -1.01 0.00 0.00 55.97 54.27 1xhh s LYS 11 Cb 0.00 -2.83 0.21 0.00 -1.01 0.00 0.00 37.83 34.20 1xhh s LYS 11 CO 0.00 0.61 0.74 -0.35 0.51 0.00 0.00 175.35 176.86 1xhh n PRO 12 N 0.82 -1.87 -3.47 -1.68 -0.04 -1.26 -3.83 135.00 123.67 1xhh n PRO 12 Ca -0.11 -0.51 -0.19 0.00 -0.04 0.00 0.00 63.50 62.65 1xhh n PRO 12 Cb 0.52 -2.06 0.09 0.00 -0.04 0.00 0.00 33.50 32.01 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 -3.82 -3.12 -4.24 3.54 3.02 -1.26 -5.01 115.26 104.38 1xhh n ASN 13 Ca 0.04 -0.60 -0.13 0.00 -0.03 0.00 0.00 54.58 53.85 1xhh n ASN 13 Cb 0.56 -5.11 -0.10 0.00 -0.61 0.00 0.00 39.78 34.52 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xhh s GLU 14 N -5.60 1.21 -0.35 3.52 2.02 -1.25 -4.02 118.70 114.23 1xhh s GLU 14 Ca 0.15 -1.62 0.01 0.00 0.02 0.00 0.00 54.97 53.52 1xhh s GLU 14 Cb -0.06 -0.02 0.15 0.00 0.10 0.00 0.00 34.13 34.29 1xhh s GLU 14 CO 0.73 -0.29 0.31 0.00 0.02 0.00 0.00 175.26 176.03 1xhh s GLN 16 N 1.54 3.39 -0.03 0.00 0.74 -1.26 -3.13 119.66 120.92 1xhh s GLN 16 Ca 0.15 -0.29 -0.13 0.00 0.05 0.00 0.00 55.36 55.14 1xhh s GLN 16 Cb -0.17 -3.09 0.02 0.00 1.10 0.00 0.00 33.01 30.87 1xhh s GLN 16 CO -0.09 0.70 0.29 0.34 -0.55 0.00 0.00 175.29 175.98 1xhh s ASP 17 N -1.67 -0.18 0.42 6.67 2.15 -0.70 -4.25 116.67 119.11 1xhh s ASP 17 Ca 0.23 0.13 0.00 0.00 0.43 0.00 0.00 52.55 53.34 1xhh s ASP 17 Cb -0.12 0.35 0.00 0.00 -0.30 0.00 0.00 42.92 42.84 1xhh s ASP 17 CO 0.14 -0.39 0.00 0.18 -0.17 0.00 0.00 175.17 174.93 1xhh n LEU 18 N 1.52 0.00 -0.06 -1.34 4.77 -1.26 -2.00 117.00 118.63 1xhh n LEU 18 Ca -0.21 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.80 1xhh n LEU 18 Cb 0.56 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 1xhh n LEU 18 CO 0.21 0.00 0.10 1.17 -1.33 0.00 0.00 177.39 177.54 1xhh n LYS 19 N 10.30 3.66 -0.04 3.23 3.00 -1.26 -4.68 118.16 132.37 1xhh n LYS 19 Ca 0.00 -0.26 -0.03 0.00 -0.00 0.00 0.00 58.31 58.03 1xhh n LYS 19 Cb 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 35.03 34.12 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 0.84 -0.46 3.69 3.14 0.00 -1.24 -4.67 105.19 106.49 1xhh n GLY 20 Ca 0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.32 4.17 -0.40 1.61 1.01 -0.85 -4.94 120.40 118.69 1xhh s VAL 21 Ca -0.04 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.44 1xhh s VAL 21 Cb 0.03 -3.97 0.19 0.00 0.00 0.00 0.00 36.38 32.64 1xhh s VAL 21 CO 0.39 -0.01 0.86 -0.44 0.00 0.00 0.00 175.10 175.90 1xhh s SER 22 N 1.56 -0.94 0.07 3.32 0.01 -1.26 -1.72 113.70 114.75 1xhh s SER 22 Ca 0.57 -0.77 -0.13 0.00 1.31 0.00 0.00 55.95 56.92 1xhh s SER 22 Cb -0.26 1.21 0.02 0.00 0.21 0.00 0.00 66.02 67.20 1xhh s SER 22 CO 0.22 -0.07 0.30 -1.00 0.41 0.00 0.00 173.24 173.10 1xhh s HIS 23 N 1.43 -0.07 0.38 2.43 3.76 -1.18 -5.01 115.29 117.03 1xhh s HIS 23 Ca 0.21 -0.18 -0.27 0.00 -0.15 0.00 0.00 55.06 54.67 1xhh s HIS 23 Cb 0.03 0.10 -0.11 0.00 1.11 0.00 0.00 32.58 33.70 1xhh s HIS 23 CO -0.09 -0.56 1.34 -0.35 -0.85 0.00 0.00 174.74 174.23 1xhh n PRO 24 N 0.23 2.23 -1.31 8.40 -0.04 -1.26 -2.20 135.00 141.04 1xhh n PRO 24 Ca -0.17 0.78 -0.29 0.00 -0.04 0.00 0.00 63.50 63.79 1xhh n PRO 24 Cb 0.61 -2.45 0.16 0.00 -0.04 0.00 0.00 33.50 31.79 1xhh n PRO 24 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1xhh s LEU 25 N -1.55 1.71 0.00 1.53 0.05 -1.26 -4.78 118.68 114.40 1xhh s LEU 25 Ca 0.57 1.08 0.00 0.00 0.05 0.00 0.00 54.13 55.83 1xhh s LEU 25 Cb -0.52 -3.31 0.00 0.00 -2.05 0.00 0.00 46.19 40.31 1xhh s LEU 25 CO 0.61 -2.95 0.00 0.59 -0.55 0.00 0.00 176.35 174.06 1xhh n ASN 26 N -4.04 0.00 -0.30 1.48 3.02 -1.26 -5.00 115.26 109.17 1xhh n ASN 26 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1xhh n ASN 26 Cb 0.58 0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.90 1xhh n ASN 26 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xhh n SER 27 N -1.74 0.00 -4.78 6.41 3.41 -1.26 -5.11 113.62 110.55 1xhh n SER 27 Ca 0.00 -0.30 -0.22 0.00 -0.26 0.00 0.00 58.87 58.09 1xhh n SER 27 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 1xhh n SER 27 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xhh s VAL 28 N -2.44 3.08 -0.15 -3.33 0.11 -1.26 -4.09 120.40 112.33 1xhh s VAL 28 Ca 0.00 -1.57 -0.10 0.00 -2.93 0.00 0.00 61.98 57.38 1xhh s VAL 28 Cb 0.00 -3.04 0.05 0.00 -1.53 0.00 0.00 36.38 31.86 1xhh s VAL 28 CO 0.00 -0.15 0.36 -1.66 -3.33 0.00 0.00 175.10 170.32 1xhh s TRP 29 N -2.41 -0.47 -0.24 1.54 -2.14 -1.07 -5.04 118.94 109.12 1xhh s TRP 29 Ca 0.40 1.07 -0.03 0.00 2.66 0.00 0.00 56.10 60.19 1xhh s TRP 29 Cb -0.03 0.17 0.10 0.00 -3.10 0.00 0.00 33.47 30.61 1xhh s TRP 29 CO 0.24 -0.26 0.18 0.21 -2.66 0.00 0.00 176.95 174.67 1xhh s LYS 30 N 0.83 0.19 1.08 3.25 2.20 -1.26 -2.62 119.74 123.42 1xhh s LYS 30 Ca -0.05 -0.11 -0.21 0.00 -0.36 0.00 0.00 55.97 55.24 1xhh s LYS 30 Cb -0.06 -1.22 0.02 0.00 -1.51 0.00 0.00 37.83 35.06 1xhh s LYS 30 CO -0.06 -0.82 -0.38 0.25 -0.36 0.00 0.00 175.35 173.97 1xhh n THR 31 N 5.29 0.00 -0.34 3.43 -2.24 -1.17 -4.74 114.28 114.51 1xhh n THR 31 Ca -0.05 -0.23 0.18 0.00 -2.27 0.00 0.00 64.05 61.69 1xhh n THR 31 Cb 0.47 -0.44 0.42 0.00 -2.10 0.00 0.00 70.33 68.67 1xhh n THR 31 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1xhh h LYS 32 N -1.77 0.53 -0.20 -0.78 2.10 -1.99 -3.38 116.57 111.10 1xhh h LYS 32 Ca -0.50 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.07 1xhh h LYS 32 Cb 1.37 -0.12 -0.15 0.00 -0.90 0.00 0.00 32.23 32.43 1xhh h LYS 32 CO 0.34 0.35 -0.17 -3.47 -2.00 0.00 0.00 179.45 174.50 1xhh n ASP 33 N -4.77 -1.75 0.14 7.07 2.03 -1.26 -5.05 116.55 112.96 1xhh n ASP 33 Ca 0.26 -1.63 0.00 0.00 0.52 0.00 0.00 54.79 53.93 1xhh n ASP 33 Cb 0.76 0.93 0.00 0.00 -0.72 0.00 0.00 41.12 42.09 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 1.00 -0.29 0.00 2.12 -1.26 -2.90 118.70 115.36 1xhh s GLU 35 Ca 0.00 -1.13 -0.02 0.00 0.36 0.00 0.00 54.97 54.18 1xhh s GLU 35 Cb 0.00 0.34 0.12 0.00 0.26 0.00 0.00 34.13 34.85 1xhh s GLU 35 CO 0.00 -0.34 0.20 -2.00 -0.54 0.00 0.00 175.26 172.58 1xhh s GLU 36 N -3.94 0.26 -0.13 4.30 2.12 -0.46 -3.05 118.70 117.81 1xhh s GLU 36 Ca 0.13 -0.42 0.01 0.00 0.36 0.00 0.00 54.97 55.05 1xhh s GLU 36 Cb 0.04 -0.96 -0.01 0.00 0.26 0.00 0.00 34.13 33.46 1xhh s GLU 36 CO -0.04 -1.03 -0.16 0.00 -0.54 0.00 0.00 175.26 173.49 1xhh s THR 38 N 0.39 2.22 -0.38 0.00 -4.23 0.49 -2.61 115.64 111.52 1xhh s THR 38 Ca -0.12 -1.84 -0.06 0.00 -1.18 0.00 0.00 61.69 58.48 1xhh s THR 38 Cb -0.16 -2.00 0.07 0.00 1.34 0.00 0.00 72.50 71.75 1xhh s THR 38 CO 0.06 -0.01 0.18 0.00 -0.54 0.00 0.00 174.62 174.31 1xhh s GLY 40 N 1.79 2.62 0.00 0.00 0.00 0.60 -4.90 107.32 107.44 1xhh s GLY 40 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.78 1xhh s GLY 40 CO 0.01 0.78 0.62 -1.06 0.00 0.00 0.00 173.10 173.45 1xhh n GLN 41 N 2.78 0.00 0.00 2.90 6.02 -1.26 -1.02 117.38 126.80 1xhh n GLN 41 Ca -0.06 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1xhh n GLN 41 Cb 0.51 -1.56 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 -0.40 -1.01 0.00 0.00 177.06 175.65 1xhh n ASP 42 N -1.12 2.29 -2.92 1.08 5.68 -1.26 -5.03 116.55 115.26 1xhh n ASP 42 Ca 0.00 -0.03 -0.09 0.00 -0.50 0.00 0.00 54.79 54.17 1xhh n ASP 42 Cb 0.06 0.52 0.02 0.00 -1.14 0.00 0.00 41.12 40.58 1xhh n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xhh s ALA 43 N -0.98 -0.77 -0.05 2.12 0.00 -0.19 -4.10 121.76 117.80 1xhh s ALA 43 Ca 0.00 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1xhh s ALA 43 Cb 0.00 0.67 0.02 0.00 0.00 0.00 0.00 23.12 23.81 1xhh s ALA 43 CO 0.00 -0.99 -0.07 0.42 0.00 0.00 0.00 175.76 175.12 1xhh s ILE 44 N -2.26 0.69 -0.12 0.00 1.01 -0.80 0.22 121.20 119.94 1xhh s ILE 44 Ca 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.56 1xhh s ILE 44 Cb -0.05 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.71 1xhh s ILE 44 CO 0.11 0.25 -0.05 -0.94 0.00 0.00 0.00 174.94 174.31 1xhh s SER 45 N 0.78 4.71 -0.03 3.58 1.04 -0.94 -1.02 113.70 121.83 1xhh s SER 45 Ca -0.12 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.22 1xhh s SER 45 Cb -0.14 -1.57 0.03 0.00 0.10 0.00 0.00 66.02 64.44 1xhh s SER 45 CO 0.01 0.24 0.01 0.00 0.98 0.00 0.00 173.24 174.48 1xhh s ASN 48 N -0.65 2.38 0.00 0.00 6.03 -1.24 -1.35 114.94 120.11 1xhh s ASN 48 Ca 0.06 -0.50 0.00 0.00 -1.03 0.00 0.00 52.86 51.39 1xhh s ASN 48 Cb -0.07 -0.20 0.00 0.00 -3.03 0.00 0.00 41.25 37.95 1xhh s ASN 48 CO 0.00 0.15 0.36 0.35 -2.03 0.00 0.00 177.10 175.93 1xhh n THR 49 N 1.91 0.13 -2.25 0.54 -2.24 -1.14 -4.88 114.28 106.35 1xhh n THR 49 Ca -0.17 -0.25 -0.25 0.00 -2.27 0.00 0.00 64.05 61.11 1xhh n THR 49 Cb 0.53 1.35 0.07 0.00 -2.10 0.00 0.00 70.33 70.18 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 -0.13 3.24 0.61 6.98 0.00 -1.25 -5.01 121.76 126.20 1xhh s ALA 50 Ca 0.00 -0.97 -0.18 0.00 0.00 0.00 0.00 51.96 50.81 1xhh s ALA 50 Cb 0.00 -2.54 -0.05 0.00 0.00 0.00 0.00 23.12 20.53 1xhh s ALA 50 CO 0.00 -1.24 0.93 0.00 0.00 0.00 0.00 175.76 175.45 1xhh n ALA 51 N -2.86 0.07 -2.90 0.00 0.00 -1.20 -4.98 120.51 108.63 1xhh n ALA 51 Ca 0.08 -0.01 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 1xhh n ALA 51 Cb 0.60 -2.09 -0.12 0.00 0.00 0.00 0.00 19.45 17.84 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 -1.54 3.82 0.24 0.00 -1.09 -0.90 -4.84 121.20 116.90 1xhh s ILE 52 Ca 0.76 -0.39 -0.31 0.00 -2.23 0.00 0.00 60.65 58.48 1xhh s ILE 52 Cb -0.41 -2.65 -0.12 0.00 -1.58 0.00 0.00 42.46 37.69 1xhh s ILE 52 CO 0.47 0.51 1.64 -0.81 -1.23 0.00 0.00 174.94 175.52 1xhh n PRO 53 N 3.30 2.65 -3.98 2.79 -0.04 -1.26 -2.54 135.00 135.91 1xhh n PRO 53 Ca -0.18 0.95 -0.17 0.00 -0.04 0.00 0.00 63.50 64.06 1xhh n PRO 53 Cb 0.53 -2.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.17 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 3.00 0.00 0.00 0.52 -2.24 -1.06 -4.86 114.28 109.64 1xhh n THR 54 Ca 0.13 -2.11 0.00 0.00 -2.27 0.00 0.00 64.05 59.79 1xhh n THR 54 Cb 0.35 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 -0.57 0.88 3.69 3.38 0.00 -1.26 -3.61 105.19 107.71 1xhh n GLY 55 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1xhh n GLY 55 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xhh n TYR 56 N 0.00 2.59 -1.47 1.61 4.11 -1.26 -4.79 117.16 117.95 1xhh n TYR 56 Ca 0.00 -0.05 -0.54 0.00 -0.00 0.00 0.00 57.90 57.31 1xhh n TYR 56 Cb 0.00 -2.69 -0.08 0.00 -0.00 0.00 0.00 39.34 36.57 1xhh n TYR 56 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1xhh n ASP 57 N 5.07 1.90 -4.53 9.48 -0.08 -1.26 -4.82 116.55 122.31 1xhh n ASP 57 Ca 0.18 0.62 -0.42 0.00 -1.51 0.00 0.00 54.79 53.66 1xhh n ASP 57 Cb 0.35 -1.16 -0.03 0.00 2.34 0.00 0.00 41.12 42.62 1xhh n ASP 57 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1xhh s THR 58 N 6.16 4.12 -0.18 5.18 -4.23 -1.26 -4.79 115.64 120.65 1xhh s THR 58 Ca 1.09 -0.85 -0.20 0.00 -1.18 0.00 0.00 61.69 60.55 1xhh s THR 58 Cb -1.04 -4.96 -0.17 0.00 1.34 0.00 0.00 72.50 67.67 1xhh s THR 58 CO 0.57 -1.80 0.27 -1.13 -0.54 0.00 0.00 174.62 171.98 1xhh h ASN 59 N 9.57 0.00 0.00 3.99 -0.73 -2.00 -3.46 115.58 122.95 1xhh h ASN 59 Ca 0.13 -0.51 -0.03 0.00 1.87 0.00 0.00 56.30 57.75 1xhh h ASN 59 Cb 1.02 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.58 1xhh h ASN 59 CO 1.32 1.22 -0.07 2.29 -0.37 0.00 0.00 177.43 181.82 1xhh n LYS 60 N -4.52 0.00 -2.99 6.67 2.85 -1.26 -5.15 118.16 113.76 1xhh n LYS 60 Ca -0.22 -0.24 -0.19 0.00 -1.05 0.00 0.00 58.31 56.61 1xhh n LYS 60 Cb 0.54 0.25 0.04 0.00 -0.65 0.00 0.00 35.03 35.21 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 -4.56 1.60 -0.10 0.00 -2.07 -0.61 -4.96 119.66 108.96 1xhh s GLN 62 Ca 0.59 -1.89 -0.01 0.00 -1.82 0.00 0.00 55.36 52.23 1xhh s GLN 62 Cb -0.08 -0.64 -0.03 0.00 -1.09 0.00 0.00 33.01 31.18 1xhh s GLN 62 CO 0.37 -0.25 -0.05 0.15 -1.32 0.00 0.00 175.29 174.18 1xhh s LYS 63 N -3.92 3.08 0.10 9.60 3.01 -1.26 -2.40 119.74 127.96 1xhh s LYS 63 Ca 0.36 -0.52 0.06 0.00 -1.01 0.00 0.00 55.97 54.85 1xhh s LYS 63 Cb 0.08 -2.72 -0.03 0.00 -1.01 0.00 0.00 37.83 34.14 1xhh s LYS 63 CO 0.15 0.53 -0.14 -1.50 0.51 0.00 0.00 175.35 174.90 1xhh s ILE 64 N -0.43 1.23 -0.32 2.17 2.07 0.56 -4.97 121.20 121.52 1xhh s ILE 64 Ca 0.07 -1.56 -0.01 0.00 -1.41 0.00 0.00 60.65 57.73 1xhh s ILE 64 Cb -0.12 -1.36 0.07 0.00 0.13 0.00 0.00 42.46 41.17 1xhh s ILE 64 CO 0.02 -0.35 0.02 -0.22 -1.91 0.00 0.00 174.94 172.51 1xhh s LEU 65 N -2.19 4.14 0.09 8.50 0.20 -1.26 -0.34 118.68 127.82 1xhh s LEU 65 Ca 0.05 -1.49 -0.30 0.00 0.69 0.00 0.00 54.13 53.08 1xhh s LEU 65 Cb -0.07 -1.71 -0.05 0.00 -0.43 0.00 0.00 46.19 43.94 1xhh s LEU 65 CO 0.03 -0.31 0.96 0.20 -0.29 0.00 0.00 176.35 176.93 1xhh s ASN 66 N 1.30 7.46 0.00 3.68 -0.87 -0.53 -4.92 114.94 121.06 1xhh s ASN 66 Ca -0.02 1.75 0.24 0.00 -1.57 0.00 0.00 52.86 53.26 1xhh s ASN 66 Cb -0.20 -2.58 0.80 0.00 -0.02 0.00 0.00 41.25 39.25 1xhh s ASN 66 CO -0.03 -0.10 1.59 2.29 -2.57 0.00 0.00 177.10 178.28 1xhh n LYS 67 N 3.01 1.81 0.18 -0.60 -0.00 -1.26 -2.34 118.16 118.96 1xhh n LYS 67 Ca 0.03 -1.20 -0.14 0.00 -0.00 0.00 0.00 58.31 57.00 1xhh n LYS 67 Cb 0.50 -1.44 -0.07 0.00 -0.00 0.00 0.00 35.03 34.01 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 2.61 -0.42 0.00 -1.58 1.63 -1.94 -3.31 116.57 113.56 1xhh h LYS 68 Ca 0.00 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.76 1xhh h LYS 68 Cb 0.56 0.09 -0.16 0.00 -0.60 0.00 0.00 32.23 32.13 1xhh h LYS 68 CO 0.00 -0.28 -0.66 0.25 -3.45 0.00 0.00 179.45 175.31 1xhh n THR 69 N -5.30 1.02 -3.25 1.00 -2.24 -1.26 -5.02 114.28 99.23 1xhh n THR 69 Ca -0.09 -1.84 -0.17 0.00 -2.27 0.00 0.00 64.05 59.68 1xhh n THR 69 Cb 0.21 0.35 0.01 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.53 0.07 0.00 0.00 -1.32 -0.99 -5.03 115.64 105.85 1xhh s THR 71 Ca 0.17 -1.39 0.03 0.00 -1.21 0.00 0.00 61.69 59.29 1xhh s THR 71 Cb -0.03 -1.84 -0.03 0.00 -1.51 0.00 0.00 72.50 69.09 1xhh s THR 71 CO 0.82 -0.30 -0.06 -0.47 -2.21 0.00 0.00 174.62 172.40 1xhh s TYR 72 N -3.97 2.91 0.21 9.09 6.14 -1.26 -1.46 117.35 129.02 1xhh s TYR 72 Ca 0.17 -0.02 -0.00 0.00 0.64 0.00 0.00 57.07 57.85 1xhh s TYR 72 Cb 0.03 -1.61 -0.04 0.00 0.42 0.00 0.00 41.96 40.76 1xhh s TYR 72 CO -0.00 0.39 0.13 0.95 0.64 0.00 0.00 175.55 177.65 1xhh s THR 73 N -1.02 0.11 -0.12 4.34 -4.23 0.54 -4.94 115.64 110.32 1xhh s THR 73 Ca 0.18 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.68 1xhh s THR 73 Cb -0.11 -2.53 0.03 0.00 1.34 0.00 0.00 72.50 71.23 1xhh s THR 73 CO 0.08 0.00 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.41 1xhh s VAL 74 N -4.07 0.99 0.41 2.29 1.01 -1.26 -0.32 120.40 119.45 1xhh s VAL 74 Ca 0.39 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 62.10 1xhh s VAL 74 Cb 0.07 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 1xhh s VAL 74 CO 0.13 0.30 0.29 0.68 0.00 0.00 0.00 175.10 176.49 1xhh s VAL 75 N 1.71 2.53 -0.10 2.92 -7.23 -1.01 -1.42 120.40 117.81 1xhh s VAL 75 Ca 0.04 -1.50 -0.01 0.00 -1.81 0.00 0.00 61.98 58.70 1xhh s VAL 75 Cb -0.13 -3.00 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 1xhh s VAL 75 CO -0.08 -0.01 -0.05 -0.70 -0.31 0.00 0.00 175.10 173.96 1xhh s GLU 76 N -4.03 3.07 0.30 4.82 -6.30 -1.22 -1.57 118.70 113.77 1xhh s GLU 76 Ca 0.45 -0.52 0.16 0.00 -2.50 0.00 0.00 54.97 52.56 1xhh s GLU 76 Cb -0.00 -2.72 0.88 0.00 0.00 0.00 0.00 34.13 32.29 1xhh s GLU 76 CO 0.25 0.54 1.45 1.63 0.02 0.00 0.00 175.26 179.15 1xhh n LYS 77 N 2.62 0.11 -0.00 4.30 4.76 -1.26 -0.26 118.16 128.42 1xhh n LYS 77 Ca -0.18 0.59 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 1xhh n LYS 77 Cb 0.53 -1.99 0.01 0.00 -1.84 0.00 0.00 35.03 31.74 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 -2.10 2.88 -2.90 1.97 5.02 -1.26 -4.82 118.16 116.95 1xhh n LYS 78 Ca -0.01 -1.53 -0.13 0.00 -2.02 0.00 0.00 58.31 54.61 1xhh n LYS 78 Cb 0.16 -1.02 0.01 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.54 -1.74 -0.58 4.39 -0.08 0.64 -4.98 116.55 113.67 1xhh n ASP 79 Ca 0.01 -3.16 0.00 0.00 -1.51 0.00 0.00 54.79 50.13 1xhh n ASP 79 Cb 0.27 0.99 0.00 0.00 2.34 0.00 0.00 41.12 44.72 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 1.37 0.27 0.00 -0.67 -0.05 -1.20 -2.32 135.00 132.39 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 0.61 -1.17 0.00 0.00 -0.05 0.00 0.00 33.50 32.89 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 0.45 0.00 3.78 0.55 0.00 -1.26 -4.81 105.19 103.90 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 -1.53 3.94 0.39 1.61 1.02 -0.98 -5.08 119.74 119.11 1xhh s LYS 82 Ca 0.00 -0.11 -0.21 0.00 0.02 0.00 0.00 55.97 55.68 1xhh s LYS 82 Cb 0.00 -3.34 -0.10 0.00 -0.52 0.00 0.00 37.83 33.87 1xhh s LYS 82 CO 0.00 0.47 0.90 0.95 -0.92 0.00 0.00 175.35 176.75 1xhh s THR 83 N -0.15 4.42 0.00 2.17 -4.23 -1.26 -4.07 115.64 112.52 1xhh s THR 83 Ca 0.12 1.44 0.00 0.00 -1.18 0.00 0.00 61.69 62.07 1xhh s THR 83 Cb -0.12 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1xhh s THR 83 CO 0.02 -0.20 0.00 0.00 -0.54 0.00 0.00 174.62 173.89 1xhh s ASP 85 N -1.00 6.51 0.22 0.00 1.11 -1.26 -4.94 116.67 117.30 1xhh s ASP 85 Ca 0.00 1.91 0.04 0.00 0.18 0.00 0.00 52.55 54.68 1xhh s ASP 85 Cb 0.00 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.38 1xhh s ASP 85 CO 0.00 -0.67 -0.03 -0.69 1.18 0.00 0.00 175.17 174.96 1xhh s VAL 86 N -1.96 1.13 0.00 -1.27 1.01 -1.26 -4.75 120.40 113.30 1xhh s VAL 86 Ca 0.65 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 60.58 1xhh s VAL 86 Cb -0.16 -2.24 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1xhh s VAL 86 CO 0.20 -0.42 0.00 0.41 0.00 0.00 0.00 175.10 175.29 1xhh n THR 87 N -0.38 0.00 -1.87 3.92 -1.04 -1.26 -4.74 114.28 108.90 1xhh n THR 87 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 1xhh n THR 87 Cb 0.63 -0.08 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 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 1.64 -1.44 3.11 3.41 0.00 -1.24 -4.97 105.19 105.71 1xhh n GLY 88 Ca 0.00 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.57 1.75 0.10 1.61 0.51 -1.26 -2.55 118.94 116.53 1xhh s TRP 89 Ca 0.00 -0.59 0.05 0.00 -2.12 0.00 0.00 56.10 53.45 1xhh s TRP 89 Cb 0.00 -1.21 -0.04 0.00 -0.81 0.00 0.00 33.47 31.41 1xhh s TRP 89 CO 0.00 -0.24 -0.02 0.08 -0.51 0.00 0.00 176.95 176.26 1xhh s VAL 90 N 0.29 3.86 0.00 4.03 1.01 -1.05 -4.91 120.40 123.63 1xhh s VAL 90 Ca -0.10 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1xhh s VAL 90 Cb -0.14 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.41 1xhh s VAL 90 CO 0.04 0.11 0.00 -0.11 0.00 0.00 0.00 175.10 175.14