#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 -2.83 0.04 -0.11 0.00 -0.85 -1.08 -5.02 117.35 107.50 1xhh s TYR 3 Ca 0.64 -0.42 -0.01 0.00 -0.52 0.00 0.00 57.07 56.75 1xhh s TYR 3 Cb -0.19 0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.19 1xhh s TYR 3 CO 0.58 -0.63 -0.06 -0.06 -1.52 0.00 0.00 175.55 173.86 1xhh s PHE 4 N -3.85 2.97 -0.30 -3.49 0.40 -1.26 -2.58 117.98 109.87 1xhh s PHE 4 Ca 0.06 -0.17 -0.00 0.00 -0.60 0.00 0.00 56.93 56.21 1xhh s PHE 4 Cb 0.03 -1.83 0.06 0.00 0.51 0.00 0.00 43.02 41.80 1xhh s PHE 4 CO -0.10 0.13 -0.00 0.42 0.70 0.00 0.00 175.22 176.37 1xhh s ILE 5 N -0.22 2.78 0.00 0.64 1.09 0.99 -4.94 121.20 121.54 1xhh s ILE 5 Ca 0.03 -1.58 -0.30 0.00 -1.10 0.00 0.00 60.65 57.71 1xhh s ILE 5 Cb -0.13 -2.67 -0.08 0.00 -1.06 0.00 0.00 42.46 38.53 1xhh s ILE 5 CO 0.03 -0.18 1.86 -2.84 -0.10 0.00 0.00 174.94 173.70 1xhh s PRO 6 N 1.18 4.14 0.90 2.79 0.02 -1.26 -1.99 135.00 140.78 1xhh s PRO 6 Ca -0.04 2.45 -0.15 0.00 0.02 0.00 0.00 61.00 63.28 1xhh s PRO 6 Cb -0.20 -4.10 -0.07 0.00 0.02 0.00 0.00 34.50 30.15 1xhh s PRO 6 CO -0.03 -0.93 -0.11 -1.71 -0.33 0.00 0.00 177.00 173.89 1xhh n ASN 7 N 7.45 -3.67 -0.31 2.53 5.15 -1.26 -4.92 115.26 120.23 1xhh n ASN 7 Ca 0.19 0.34 0.04 0.00 -0.60 0.00 0.00 54.58 54.55 1xhh n ASN 7 Cb 0.42 -1.00 0.06 0.00 -0.53 0.00 0.00 39.78 38.73 1xhh n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xhh n GLN 8 N 0.40 0.57 -3.89 1.20 0.00 -1.26 -5.02 117.38 109.39 1xhh n GLN 8 Ca 0.04 -1.67 -0.11 0.00 0.00 0.00 0.00 57.00 55.26 1xhh n GLN 8 Cb 0.53 -0.93 -0.10 0.00 0.00 0.00 0.00 30.24 29.74 1xhh n GLN 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1xhh s SER 9 N -1.79 0.05 -0.46 2.61 0.15 -1.26 -5.04 113.70 107.97 1xhh s SER 9 Ca 0.14 -0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.59 1xhh s SER 9 Cb 0.12 0.19 0.52 0.00 -1.71 0.00 0.00 66.02 65.14 1xhh s SER 9 CO 0.01 -0.33 1.72 0.18 1.20 0.00 0.00 173.24 176.02 1xhh n LEU 10 N 1.60 6.13 -4.29 3.45 4.77 -1.26 -4.91 117.00 122.49 1xhh n LEU 10 Ca -0.22 -4.10 -0.37 0.00 -0.03 0.00 0.00 56.01 51.29 1xhh n LEU 10 Cb 0.56 -0.75 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1xhh n LEU 10 CO 0.21 1.44 -0.49 0.29 -1.33 0.00 0.00 177.39 177.51 1xhh n LYS 11 N -0.99 0.13 -0.07 3.23 5.02 -1.26 -4.77 118.16 119.45 1xhh n LYS 11 Ca 0.52 0.06 0.23 0.00 -2.02 0.00 0.00 58.31 57.10 1xhh n LYS 11 Cb 1.04 -1.35 0.69 0.00 -0.02 0.00 0.00 35.03 35.40 1xhh n LYS 11 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1xhh h PRO 12 N -0.36 0.02 0.00 1.97 0.10 -2.06 -3.35 132.00 128.32 1xhh h PRO 12 Ca -0.44 -0.00 -0.09 0.00 0.10 0.00 0.00 66.00 65.57 1xhh h PRO 12 Cb 1.38 -0.00 -0.08 0.00 0.10 0.00 0.00 31.00 32.39 1xhh h PRO 12 CO 0.38 0.01 -0.01 0.27 0.10 0.00 0.00 178.00 178.76 1xhh n ASN 13 N -4.34 -0.94 -3.79 -2.05 0.23 -1.26 -5.09 115.26 98.02 1xhh n ASN 13 Ca 0.13 -1.65 -0.15 0.00 -0.53 0.00 0.00 54.58 52.39 1xhh n ASN 13 Cb 0.74 0.65 -0.09 0.00 -2.08 0.00 0.00 39.78 39.00 1xhh n ASN 13 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1xhh s GLU 14 N 0.06 1.49 -0.13 -3.83 2.02 -1.26 -1.21 118.70 115.84 1xhh s GLU 14 Ca 0.06 -1.77 -0.04 0.00 0.02 0.00 0.00 54.97 53.24 1xhh s GLU 14 Cb 0.15 0.32 0.05 0.00 0.10 0.00 0.00 34.13 34.75 1xhh s GLU 14 CO -0.04 -0.54 0.10 0.00 0.02 0.00 0.00 175.26 174.80 1xhh s GLN 16 N 2.17 3.92 0.35 0.00 -0.44 -1.26 -2.82 119.66 121.59 1xhh s GLN 16 Ca 0.03 -0.14 0.03 0.00 -2.50 0.00 0.00 55.36 52.78 1xhh s GLN 16 Cb -0.14 -3.33 -0.04 0.00 -1.64 0.00 0.00 33.01 27.85 1xhh s GLN 16 CO -0.07 0.48 0.10 -0.51 0.50 0.00 0.00 175.29 175.79 1xhh s ASP 17 N -0.16 2.32 0.14 6.67 1.01 -1.21 -4.31 116.67 121.13 1xhh s ASP 17 Ca 0.12 -1.52 0.00 0.00 0.71 0.00 0.00 52.55 51.85 1xhh s ASP 17 Cb -0.12 0.25 0.00 0.00 1.01 0.00 0.00 42.92 44.06 1xhh s ASP 17 CO 0.01 -0.79 0.00 0.18 0.21 0.00 0.00 175.17 174.78 1xhh n LEU 18 N -0.75 0.00 -0.00 1.23 4.77 -1.26 -2.67 117.00 118.32 1xhh n LEU 18 Ca -0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.97 1xhh n LEU 18 Cb 0.66 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.72 1xhh n LEU 18 CO 0.38 0.00 -0.01 1.17 -1.33 0.00 0.00 177.39 177.60 1xhh n LYS 19 N 13.28 5.36 -2.76 3.23 3.00 -1.26 -4.74 118.16 134.26 1xhh n LYS 19 Ca 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 1xhh n LYS 19 Cb 0.00 -0.73 0.08 0.00 0.00 0.00 0.00 35.03 34.38 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 1.12 1.84 3.53 3.14 0.00 -1.24 -4.69 105.19 108.89 1xhh n GLY 20 Ca 0.01 -0.73 -0.28 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.25 3.03 -0.29 1.61 1.01 -1.09 -5.02 120.40 117.40 1xhh s VAL 21 Ca 0.21 -1.61 -0.15 0.00 0.00 0.00 0.00 61.98 60.42 1xhh s VAL 21 Cb 0.38 -2.46 0.15 0.00 0.00 0.00 0.00 36.38 34.44 1xhh s VAL 21 CO -0.07 -0.03 0.94 -0.94 0.00 0.00 0.00 175.10 175.00 1xhh s SER 22 N -2.56 -0.60 0.05 3.32 1.04 -1.26 -3.30 113.70 110.39 1xhh s SER 22 Ca 0.22 0.91 -0.15 0.00 0.48 0.00 0.00 55.95 57.41 1xhh s SER 22 Cb -0.09 1.43 0.02 0.00 0.10 0.00 0.00 66.02 67.48 1xhh s SER 22 CO 0.13 -0.14 0.32 -1.00 0.98 0.00 0.00 173.24 173.54 1xhh s HIS 23 N 1.80 -0.13 0.22 5.02 3.76 -1.13 -5.01 115.29 119.82 1xhh s HIS 23 Ca -0.07 0.01 -0.32 0.00 -0.15 0.00 0.00 55.06 54.53 1xhh s HIS 23 Cb -0.05 0.12 -0.13 0.00 1.11 0.00 0.00 32.58 33.63 1xhh s HIS 23 CO -0.16 -0.52 1.51 -0.35 -0.85 0.00 0.00 174.74 174.37 1xhh n PRO 24 N 0.55 2.21 -1.66 8.40 -0.04 -1.26 -1.75 135.00 141.45 1xhh n PRO 24 Ca -0.18 0.79 -0.36 0.00 -0.04 0.00 0.00 63.50 63.70 1xhh n PRO 24 Cb 0.60 -2.52 0.08 0.00 -0.04 0.00 0.00 33.50 31.62 1xhh n PRO 24 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1xhh s LEU 25 N 0.36 3.51 -0.68 1.53 2.96 -0.35 -3.74 118.68 122.28 1xhh s LEU 25 Ca 0.72 2.58 -0.07 0.00 -0.22 0.00 0.00 54.13 57.14 1xhh s LEU 25 Cb -0.63 -4.61 0.01 0.00 0.50 0.00 0.00 46.19 41.46 1xhh s LEU 25 CO 0.44 -2.10 0.65 -3.20 -1.32 0.00 0.00 176.35 170.83 1xhh n ASN 26 N -2.10 -6.81 -3.65 3.68 2.85 -0.68 -4.88 115.26 103.67 1xhh n ASN 26 Ca 0.15 -0.21 -0.09 0.00 -0.11 0.00 0.00 54.58 54.33 1xhh n ASN 26 Cb 0.48 -3.98 -0.08 0.00 1.24 0.00 0.00 39.78 37.45 1xhh n ASN 26 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1xhh s SER 27 N -2.76 -0.84 -0.11 1.20 0.01 -1.21 -4.96 113.70 105.02 1xhh s SER 27 Ca 0.09 1.40 -0.01 0.00 1.31 0.00 0.00 55.95 58.74 1xhh s SER 27 Cb -0.02 1.30 -0.03 0.00 0.21 0.00 0.00 66.02 67.49 1xhh s SER 27 CO 0.81 -0.23 -0.05 0.68 0.41 0.00 0.00 173.24 174.85 1xhh s VAL 28 N 1.35 3.80 -0.13 3.43 -7.23 -1.26 -1.71 120.40 118.64 1xhh s VAL 28 Ca -0.08 -0.42 -0.08 0.00 -1.81 0.00 0.00 61.98 59.59 1xhh s VAL 28 Cb -0.05 -2.60 0.04 0.00 0.56 0.00 0.00 36.38 34.33 1xhh s VAL 28 CO -0.15 0.56 0.32 -1.66 -0.31 0.00 0.00 175.10 173.86 1xhh s TRP 29 N -0.32 -0.42 0.47 2.82 -2.14 -0.95 -5.03 118.94 113.36 1xhh s TRP 29 Ca 0.05 0.96 0.04 0.00 2.66 0.00 0.00 56.10 59.80 1xhh s TRP 29 Cb -0.12 0.14 -0.04 0.00 -3.10 0.00 0.00 33.47 30.34 1xhh s TRP 29 CO 0.02 -0.24 0.01 0.15 -2.66 0.00 0.00 176.95 174.23 1xhh s LYS 30 N 0.91 2.09 -0.30 3.25 1.02 -1.26 -2.67 119.74 122.78 1xhh s LYS 30 Ca -0.06 -2.27 0.00 0.00 0.02 0.00 0.00 55.97 53.66 1xhh s LYS 30 Cb -0.07 -1.56 0.14 0.00 -0.52 0.00 0.00 37.83 35.82 1xhh s LYS 30 CO -0.07 -0.23 0.31 -0.08 -0.92 0.00 0.00 175.35 174.37 1xhh s THR 31 N -2.81 -0.41 -0.94 2.17 -1.32 -1.02 -4.89 115.64 106.42 1xhh s THR 31 Ca 0.19 -0.54 -0.08 0.00 -1.21 0.00 0.00 61.69 60.05 1xhh s THR 31 Cb 0.05 -0.95 0.07 0.00 -1.51 0.00 0.00 72.50 70.16 1xhh s THR 31 CO 0.10 -0.47 0.29 0.29 -2.21 0.00 0.00 174.62 172.61 1xhh n LYS 32 N 5.18 -2.59 -0.18 7.08 5.02 -1.26 0.14 118.16 131.55 1xhh n LYS 32 Ca -0.00 0.27 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1xhh n LYS 32 Cb 0.46 -4.87 0.00 0.00 -0.02 0.00 0.00 35.03 30.61 1xhh n LYS 32 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xhh n ASP 33 N -2.00 0.00 0.15 4.39 -0.08 -1.26 -4.71 116.55 113.04 1xhh n ASP 33 Ca -0.00 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.39 1xhh n ASP 33 Cb 0.52 -1.62 0.63 0.00 2.34 0.00 0.00 41.12 42.99 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 -5.11 1.02 -0.32 0.00 2.12 -1.22 -2.93 118.70 112.27 1xhh s GLU 35 Ca -0.05 0.32 -0.00 0.00 0.36 0.00 0.00 54.97 55.59 1xhh s GLU 35 Cb 0.18 0.48 0.10 0.00 0.26 0.00 0.00 34.13 35.15 1xhh s GLU 35 CO 0.70 -0.30 0.09 -2.00 -0.54 0.00 0.00 175.26 173.21 1xhh s GLU 36 N -1.04 0.81 0.03 4.30 2.12 -0.65 -2.43 118.70 121.84 1xhh s GLU 36 Ca -0.10 -1.18 0.04 0.00 0.36 0.00 0.00 54.97 54.09 1xhh s GLU 36 Cb -0.01 -2.13 -0.04 0.00 0.26 0.00 0.00 34.13 32.21 1xhh s GLU 36 CO 0.09 -0.99 -0.06 0.00 -0.54 0.00 0.00 175.26 173.76 1xhh s THR 38 N -1.06 0.08 -0.46 0.00 -1.32 -0.18 -2.23 115.64 110.46 1xhh s THR 38 Ca 0.19 -0.63 -0.06 0.00 -1.21 0.00 0.00 61.69 59.97 1xhh s THR 38 Cb -0.11 -0.86 0.12 0.00 -1.51 0.00 0.00 72.50 70.14 1xhh s THR 38 CO 0.09 -0.35 0.30 0.00 -2.21 0.00 0.00 174.62 172.46 1xhh s GLY 40 N 2.16 1.67 0.24 0.00 0.00 0.80 -1.69 107.32 110.50 1xhh s GLY 40 Ca 0.08 0.30 -0.05 0.00 0.00 0.00 0.00 44.72 45.05 1xhh s GLY 40 CO -0.03 0.67 1.84 -1.61 0.00 0.00 0.00 173.10 173.98 1xhh h GLN 41 N -1.30 0.91 0.00 2.90 -0.00 -1.98 -3.11 115.11 112.53 1xhh h GLN 41 Ca -0.44 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.16 1xhh h GLN 41 Cb 1.24 -0.21 0.00 0.00 0.00 0.00 0.00 27.48 28.52 1xhh h GLN 41 CO 0.50 0.60 -0.13 -0.40 0.00 0.00 0.00 178.83 179.40 1xhh n ASP 42 N -4.64 1.45 -3.72 -0.69 5.68 -1.26 -4.97 116.55 108.40 1xhh n ASP 42 Ca 0.12 -2.43 -0.07 0.00 -0.50 0.00 0.00 54.79 51.91 1xhh n ASP 42 Cb 0.19 -0.26 -0.01 0.00 -1.14 0.00 0.00 41.12 39.90 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 -1.54 -1.15 -0.04 2.12 0.00 -1.18 -4.26 121.76 115.72 1xhh s ALA 43 Ca 0.15 -0.38 -0.00 0.00 0.00 0.00 0.00 51.96 51.73 1xhh s ALA 43 Cb 0.13 0.82 0.03 0.00 0.00 0.00 0.00 23.12 24.10 1xhh s ALA 43 CO 0.01 -1.03 -0.00 0.42 0.00 0.00 0.00 175.76 175.16 1xhh s ILE 44 N -3.67 0.28 -0.16 0.00 1.01 -0.84 0.28 121.20 118.10 1xhh s ILE 44 Ca 0.12 0.07 -0.03 0.00 0.00 0.00 0.00 60.65 60.81 1xhh s ILE 44 Cb -0.06 -0.39 -0.02 0.00 0.01 0.00 0.00 42.46 42.00 1xhh s ILE 44 CO 0.08 0.19 -0.06 -0.55 0.00 0.00 0.00 174.94 174.60 1xhh s SER 45 N 1.30 4.52 -0.02 3.58 0.15 -1.03 -0.01 113.70 122.19 1xhh s SER 45 Ca -0.06 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1xhh s SER 45 Cb -0.13 -1.73 0.02 0.00 -1.71 0.00 0.00 66.02 62.47 1xhh s SER 45 CO -0.02 0.14 0.02 0.00 1.20 0.00 0.00 173.24 174.58 1xhh s ASN 48 N 1.26 4.78 -0.01 0.00 4.22 -1.26 -1.64 114.94 122.29 1xhh s ASN 48 Ca -0.01 -0.02 0.02 0.00 -2.14 0.00 0.00 52.86 50.71 1xhh s ASN 48 Cb -0.14 -1.21 0.03 0.00 1.28 0.00 0.00 41.25 41.21 1xhh s ASN 48 CO -0.06 0.34 0.80 0.35 -2.04 0.00 0.00 177.10 176.49 1xhh n THR 49 N 2.00 0.51 -2.50 0.54 -2.24 -1.15 -4.60 114.28 106.85 1xhh n THR 49 Ca -0.17 -0.55 -0.23 0.00 -2.27 0.00 0.00 64.05 60.83 1xhh n THR 49 Cb 0.53 0.65 0.05 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.61 3.66 0.74 6.98 0.00 -1.26 -5.03 121.76 126.24 1xhh s ALA 50 Ca 0.03 -1.20 -0.15 0.00 0.00 0.00 0.00 51.96 50.64 1xhh s ALA 50 Cb 0.03 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.92 1xhh s ALA 50 CO 0.00 -0.93 0.92 0.00 0.00 0.00 0.00 175.76 175.76 1xhh n ALA 51 N -2.53 -0.45 -2.92 0.00 0.00 -1.26 -4.99 120.51 108.35 1xhh n ALA 51 Ca 0.08 -0.23 -0.34 0.00 0.00 0.00 0.00 53.44 52.96 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 -1.89 3.70 0.21 0.00 -1.09 -1.18 -4.86 121.20 116.10 1xhh s ILE 52 Ca 0.72 -0.43 -0.32 0.00 -2.23 0.00 0.00 60.65 58.38 1xhh s ILE 52 Cb -0.33 -2.60 -0.12 0.00 -1.58 0.00 0.00 42.46 37.83 1xhh s ILE 52 CO 0.52 0.52 1.72 -0.81 -1.23 0.00 0.00 174.94 175.66 1xhh n PRO 53 N 3.33 2.78 -1.61 2.79 -0.04 -1.26 -2.65 135.00 138.35 1xhh n PRO 53 Ca -0.18 1.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 1xhh n PRO 53 Cb 0.53 -2.85 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 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 3.93 0.00 0.00 0.52 -2.24 -1.04 -4.85 114.28 110.59 1xhh n THR 54 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1xhh n THR 54 Cb 0.35 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.00 1.60 3.83 3.38 0.00 -1.26 -2.91 105.19 109.83 1xhh n GLY 55 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.35 3.72 0.01 1.61 1.13 -1.26 -4.68 117.35 116.54 1xhh s TYR 56 Ca 0.00 1.14 -0.30 0.00 -1.41 0.00 0.00 57.07 56.49 1xhh s TYR 56 Cb 0.00 -2.40 -0.07 0.00 -1.10 0.00 0.00 41.96 38.39 1xhh s TYR 56 CO 0.00 0.55 1.70 0.34 -2.51 0.00 0.00 175.55 175.63 1xhh s ASP 57 N -1.30 6.61 -1.08 -0.18 2.15 -1.26 -4.89 116.67 116.71 1xhh s ASP 57 Ca 0.31 2.40 -0.22 0.00 0.43 0.00 0.00 52.55 55.46 1xhh s ASP 57 Cb -0.17 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 39.94 1xhh s ASP 57 CO 0.18 -0.93 1.58 0.42 -0.17 0.00 0.00 175.17 176.25 1xhh s THR 58 N 3.53 3.91 -0.17 1.71 -4.23 -1.26 -4.75 115.64 114.38 1xhh s THR 58 Ca 0.76 -1.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.04 1xhh s THR 58 Cb -0.37 -4.98 -0.20 0.00 1.34 0.00 0.00 72.50 68.29 1xhh s THR 58 CO 0.32 -1.83 0.40 0.78 -0.54 0.00 0.00 174.62 173.76 1xhh h ASN 59 N 9.42 0.00 -0.00 3.99 4.21 -1.97 -3.47 115.58 127.77 1xhh h ASN 59 Ca 0.25 -0.65 -0.03 0.00 1.21 0.00 0.00 56.30 57.08 1xhh h ASN 59 Cb 0.97 0.00 -0.13 0.00 -1.12 0.00 0.00 38.32 38.04 1xhh h ASN 59 CO 1.41 1.18 0.03 2.29 -1.29 0.00 0.00 177.43 181.05 1xhh n LYS 60 N -4.54 0.01 -4.11 0.81 2.85 -1.26 -5.17 118.16 106.75 1xhh n LYS 60 Ca -0.19 -0.51 -0.14 0.00 -1.05 0.00 0.00 58.31 56.42 1xhh n LYS 60 Cb 0.53 0.03 -0.05 0.00 -0.65 0.00 0.00 35.03 34.89 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 -3.37 1.46 -0.21 0.00 0.74 -0.25 -4.93 119.66 113.11 1xhh s GLN 62 Ca 0.31 -1.74 -0.04 0.00 0.05 0.00 0.00 55.36 53.94 1xhh s GLN 62 Cb 0.01 -0.89 -0.02 0.00 1.10 0.00 0.00 33.01 33.21 1xhh s GLN 62 CO 0.18 -0.04 -0.02 0.15 -0.55 0.00 0.00 175.29 175.02 1xhh s LYS 63 N -3.80 3.51 0.25 1.67 1.02 -1.26 -1.92 119.74 119.21 1xhh s LYS 63 Ca 0.29 -0.57 0.09 0.00 0.02 0.00 0.00 55.97 55.81 1xhh s LYS 63 Cb 0.05 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 1xhh s LYS 63 CO 0.11 -0.07 -0.01 0.42 -0.92 0.00 0.00 175.35 174.88 1xhh s ILE 64 N 1.17 3.46 -0.21 2.17 1.01 0.65 -4.95 121.20 124.52 1xhh s ILE 64 Ca 0.03 -1.85 0.01 0.00 0.00 0.00 0.00 60.65 58.84 1xhh s ILE 64 Cb -0.14 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.52 1xhh s ILE 64 CO 0.00 -0.33 -0.15 -0.22 0.00 0.00 0.00 174.94 174.24 1xhh s LEU 65 N -3.55 2.57 -0.70 2.97 0.20 -1.26 -0.17 118.68 118.74 1xhh s LEU 65 Ca 0.31 -0.80 -0.27 0.00 0.69 0.00 0.00 54.13 54.05 1xhh s LEU 65 Cb -0.07 -1.53 0.03 0.00 -0.43 0.00 0.00 46.19 44.18 1xhh s LEU 65 CO 0.19 -0.05 1.29 0.20 -0.29 0.00 0.00 176.35 177.69 1xhh s ASN 66 N 1.27 6.18 0.00 3.68 0.01 0.12 -4.82 114.94 121.38 1xhh s ASN 66 Ca 0.02 -0.28 0.13 0.00 -0.71 0.00 0.00 52.86 52.01 1xhh s ASN 66 Cb -0.15 -2.56 0.72 0.00 0.41 0.00 0.00 41.25 39.67 1xhh s ASN 66 CO -0.10 -1.79 1.22 2.29 -1.51 0.00 0.00 177.10 177.21 1xhh n LYS 67 N 9.17 0.34 0.22 -0.60 0.00 -1.26 -2.03 118.16 123.99 1xhh n LYS 67 Ca 0.05 0.05 -0.15 0.00 -0.00 0.00 0.00 58.31 58.26 1xhh n LYS 67 Cb 0.49 -1.50 -0.08 0.00 -0.00 0.00 0.00 35.03 33.94 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 0.00 -0.49 -0.08 -1.58 3.64 -1.95 -3.33 116.57 112.77 1xhh h LYS 68 Ca 0.00 0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.28 1xhh h LYS 68 Cb 0.03 0.11 -0.23 0.00 -0.41 0.00 0.00 32.23 31.73 1xhh h LYS 68 CO 0.00 -0.28 -0.81 0.25 -2.27 0.00 0.00 179.45 176.34 1xhh n THR 69 N -5.28 1.18 -3.23 1.00 -2.24 -1.19 -5.02 114.28 99.52 1xhh n THR 69 Ca -0.11 -2.30 -0.18 0.00 -2.27 0.00 0.00 64.05 59.20 1xhh n THR 69 Cb 0.24 0.36 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 -2.43 0.00 0.18 0.00 -4.23 -0.93 -4.99 115.64 103.24 1xhh s THR 71 Ca 0.20 -1.80 0.10 0.00 -1.18 0.00 0.00 61.69 59.00 1xhh s THR 71 Cb -0.04 -2.45 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1xhh s THR 71 CO 0.82 0.00 -0.15 -0.31 -0.54 0.00 0.00 174.62 174.43 1xhh s TYR 72 N -3.88 2.51 0.24 3.99 2.02 -1.26 -0.70 117.35 120.27 1xhh s TYR 72 Ca 0.34 -0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 56.66 1xhh s TYR 72 Cb 0.04 -1.24 -0.01 0.00 -0.40 0.00 0.00 41.96 40.34 1xhh s TYR 72 CO 0.15 0.50 0.42 -0.08 -1.57 0.00 0.00 175.55 174.96 1xhh s THR 73 N -1.64 0.00 -0.04 -0.71 -1.32 0.76 -4.84 115.64 107.85 1xhh s THR 73 Ca 0.23 -1.51 0.02 0.00 -1.21 0.00 0.00 61.69 59.22 1xhh s THR 73 Cb -0.09 -2.26 0.01 0.00 -1.51 0.00 0.00 72.50 68.65 1xhh s THR 73 CO 0.13 0.00 -0.08 -0.69 -2.21 0.00 0.00 174.62 171.77 1xhh s VAL 74 N -4.02 0.74 0.39 5.08 1.01 -1.26 -0.25 120.40 122.09 1xhh s VAL 74 Ca 0.25 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.98 1xhh s VAL 74 Cb 0.01 -0.69 -0.06 0.00 0.00 0.00 0.00 36.38 35.64 1xhh s VAL 74 CO 0.10 0.25 0.04 0.68 0.00 0.00 0.00 175.10 176.17 1xhh s VAL 75 N 0.46 1.36 -0.06 2.92 -7.23 -0.81 -3.27 120.40 113.77 1xhh s VAL 75 Ca -0.07 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.10 1xhh s VAL 75 Cb -0.11 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 1xhh s VAL 75 CO 0.01 0.00 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.13 1xhh s GLU 76 N -3.81 2.76 0.04 4.82 2.02 -1.24 -1.09 118.70 122.21 1xhh s GLU 76 Ca 0.30 -0.55 0.16 0.00 0.02 0.00 0.00 54.97 54.90 1xhh s GLU 76 Cb 0.07 -2.61 0.67 0.00 0.10 0.00 0.00 34.13 32.37 1xhh s GLU 76 CO 0.14 0.66 1.50 1.63 0.02 0.00 0.00 175.26 179.22 1xhh n LYS 77 N 2.15 0.03 -0.01 1.61 4.76 -1.26 -2.15 118.16 123.30 1xhh n LYS 77 Ca -0.18 0.28 0.03 0.00 -2.87 0.00 0.00 58.31 55.58 1xhh n LYS 77 Cb 0.53 -1.56 0.03 0.00 -1.84 0.00 0.00 35.03 32.19 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 -1.63 0.15 -2.74 1.97 4.81 -1.26 -4.84 118.16 114.61 1xhh n LYS 78 Ca 0.03 -0.96 -0.05 0.00 -0.87 0.00 0.00 58.31 56.47 1xhh n LYS 78 Cb 0.18 -1.12 0.02 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 0.33 -3.03 -0.10 3.14 -0.08 -0.91 -4.99 116.55 110.91 1xhh n ASP 79 Ca 0.04 -2.68 0.00 0.00 -1.51 0.00 0.00 54.79 50.64 1xhh n ASP 79 Cb 0.17 1.60 0.00 0.00 2.34 0.00 0.00 41.12 45.23 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 2.62 0.26 -0.02 -0.67 -0.02 -1.17 -1.86 135.00 134.15 1xhh n PRO 80 Ca 0.15 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.68 1xhh n PRO 80 Cb 0.59 -1.03 -0.12 0.00 -0.02 0.00 0.00 33.50 32.93 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 -0.12 -0.69 3.52 -1.23 0.00 -1.26 -4.89 105.19 100.52 1xhh n GLY 81 Ca 0.00 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.91 2.46 0.33 1.61 -0.14 -0.78 -5.10 119.74 115.22 1xhh s LYS 82 Ca -0.06 -0.74 -0.08 0.00 -1.36 0.00 0.00 55.97 53.73 1xhh s LYS 82 Cb 0.09 -2.40 -0.06 0.00 -1.68 0.00 0.00 37.83 33.77 1xhh s LYS 82 CO 0.61 0.61 0.65 0.95 -0.76 0.00 0.00 175.35 177.41 1xhh s THR 83 N -0.85 4.90 0.53 2.17 -4.23 -1.26 -3.64 115.64 113.26 1xhh s THR 83 Ca 0.14 0.37 -0.09 0.00 -1.18 0.00 0.00 61.69 60.92 1xhh s THR 83 Cb -0.11 -3.71 0.12 0.00 1.34 0.00 0.00 72.50 70.14 1xhh s THR 83 CO 0.03 -0.37 0.71 0.00 -0.54 0.00 0.00 174.62 174.45 1xhh s ASP 85 N -3.58 6.58 0.43 0.00 2.15 -1.26 -4.98 116.67 116.01 1xhh s ASP 85 Ca 0.40 0.67 0.08 0.00 0.43 0.00 0.00 52.55 54.13 1xhh s ASP 85 Cb -0.01 -2.35 -0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1xhh s ASP 85 CO 0.28 -0.41 0.46 0.54 -0.17 0.00 0.00 175.17 175.87 1xhh s VAL 86 N 2.57 2.68 0.00 1.11 0.11 -1.26 -4.53 120.40 121.09 1xhh s VAL 86 Ca 0.27 -1.23 0.00 0.00 -2.93 0.00 0.00 61.98 58.09 1xhh s VAL 86 Cb -0.15 -2.91 0.00 0.00 -1.53 0.00 0.00 36.38 31.78 1xhh s VAL 86 CO 0.09 0.00 0.00 0.41 -3.33 0.00 0.00 175.10 172.27 1xhh n THR 87 N -1.68 0.00 -2.18 5.04 -1.04 -1.26 -4.86 114.28 108.30 1xhh n THR 87 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1xhh n THR 87 Cb 0.61 -0.19 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 2.25 1.02 3.44 3.41 0.00 -1.14 -4.96 105.19 109.20 1xhh n GLY 88 Ca 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.24 0.40 0.11 1.61 0.51 -1.26 -2.50 118.94 116.57 1xhh s TRP 89 Ca 0.00 -0.75 0.01 0.00 -2.12 0.00 0.00 56.10 53.24 1xhh s TRP 89 Cb 0.00 0.03 -0.04 0.00 -0.81 0.00 0.00 33.47 32.65 1xhh s TRP 89 CO 0.00 -0.83 -0.02 0.08 -0.51 0.00 0.00 176.95 175.66 1xhh s VAL 90 N -3.99 0.50 0.00 4.03 1.01 -1.08 -4.80 120.40 116.06 1xhh s VAL 90 Ca 0.20 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.27 1xhh s VAL 90 Cb 0.02 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.59 1xhh s VAL 90 CO 0.04 -0.75 0.00 -0.11 0.00 0.00 0.00 175.10 174.28