#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdh n LEU 5 N 0.00 -5.33 -0.00 -3.43 -0.00 -1.26 -4.99 117.00 101.99 2wdh n LEU 5 Ca 0.00 1.89 0.02 0.00 -0.00 0.00 0.00 56.01 57.92 2wdh n LEU 5 Cb 0.00 -2.84 -0.03 0.00 -0.00 0.00 0.00 43.42 40.54 2wdh n LEU 5 CO 0.00 -3.25 -0.43 2.29 -0.00 0.00 0.00 177.39 176.00 2wdh n LYS 6 N 1.38 1.36 -3.18 1.96 0.00 -1.26 -4.80 118.16 113.62 2wdh n LYS 6 Ca -0.34 -0.03 -0.45 0.00 -0.00 0.00 0.00 58.31 57.49 2wdh n LYS 6 Cb 0.52 -1.02 -0.00 0.00 -0.00 0.00 0.00 35.03 34.53 2wdh n LYS 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2wdh s LYS 7 N -2.11 4.13 0.00 -1.58 3.01 -1.26 -4.85 119.74 117.08 2wdh s LYS 7 Ca -0.01 -2.92 0.00 0.00 -1.01 0.00 0.00 55.97 52.03 2wdh s LYS 7 Cb 0.03 -4.75 0.00 0.00 -1.01 0.00 0.00 37.83 32.10 2wdh s LYS 7 CO 0.19 -1.45 0.00 0.41 0.51 0.00 0.00 175.35 175.01 2wdh n GLY 8 N 3.34 3.56 2.16 -3.33 0.00 -1.26 -4.93 105.19 104.72 2wdh n GLY 8 Ca 0.28 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 2wdh n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdh n VAL 9 N -0.20 3.28 -0.28 1.61 0.31 -1.26 -4.94 118.33 116.85 2wdh n VAL 9 Ca 0.00 -3.03 0.00 0.00 -0.01 0.00 0.00 64.34 61.30 2wdh n VAL 9 Cb 0.00 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 2wdh n VAL 9 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 2wdh n PHE 10 N -0.93 0.00 -3.07 3.52 -1.74 -1.26 -4.41 117.46 109.57 2wdh n PHE 10 Ca 0.56 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 57.05 2wdh n PHE 10 Cb 0.89 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.84 2wdh n PHE 10 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2wdh s VAL 11 N -0.16 4.98 0.25 1.97 0.11 -1.26 -4.38 120.40 121.91 2wdh s VAL 11 Ca 0.00 1.26 -0.31 0.00 -2.93 0.00 0.00 61.98 60.00 2wdh s VAL 11 Cb 0.00 -3.98 -0.13 0.00 -1.53 0.00 0.00 36.38 30.74 2wdh s VAL 11 CO 0.00 0.07 1.39 0.47 -3.33 0.00 0.00 175.10 173.69 2wdh n ASP 12 N 5.29 2.71 0.03 3.54 10.43 -1.26 -4.93 116.55 132.36 2wdh n ASP 12 Ca 0.00 1.15 -0.19 0.00 2.57 0.00 0.00 54.79 58.32 2wdh n ASP 12 Cb 0.49 -1.43 -0.11 0.00 1.84 0.00 0.00 41.12 41.92 2wdh n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 2wdh h ASP 13 N 4.03 0.71 0.00 -2.24 5.19 -1.99 -3.24 116.42 118.88 2wdh h ASP 13 Ca -0.45 -0.76 0.00 0.00 -0.62 0.00 0.00 57.03 55.20 2wdh h ASP 13 Cb 1.28 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.57 2wdh h ASP 13 CO 0.74 1.38 0.48 0.00 -3.12 0.00 0.00 179.24 178.73 2wdh n HIS 14 N -4.04 0.24 -0.09 4.55 1.44 -1.26 -0.62 115.22 115.44 2wdh n HIS 14 Ca -0.11 0.13 -0.11 0.00 -2.01 0.00 0.00 57.72 55.62 2wdh n HIS 14 Cb 0.78 -0.37 -0.04 0.00 0.12 0.00 0.00 29.99 30.49 2wdh n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wdh n LEU 15 N -1.87 1.92 -0.33 2.39 7.99 -1.24 -4.43 117.00 121.44 2wdh n LEU 15 Ca -0.00 0.37 0.25 0.00 -0.01 0.00 0.00 56.01 56.62 2wdh n LEU 15 Cb 0.49 -0.77 0.49 0.00 -0.11 0.00 0.00 43.42 43.53 2wdh n LEU 15 CO 0.03 -0.20 1.07 -0.07 -1.51 0.00 0.00 177.39 176.71 2wdh h LEU 16 N -1.00 0.38 -0.09 2.23 4.07 -0.92 0.22 115.31 120.20 2wdh h LEU 16 Ca -0.08 0.22 0.02 0.00 0.08 0.00 0.00 57.88 58.12 2wdh h LEU 16 Cb 1.01 0.20 -0.03 0.00 1.08 0.00 0.00 40.66 42.92 2wdh h LEU 16 CO -0.05 -0.24 -0.27 -0.08 -1.08 0.00 0.00 178.44 176.72 2wdh h GLU 17 N 0.20 -0.27 -0.70 1.13 4.81 -1.08 0.19 114.58 118.87 2wdh h GLU 17 Ca 0.75 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 60.02 2wdh h GLU 17 Cb 1.79 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 31.20 2wdh h GLU 17 CO -0.67 -0.18 0.46 -0.22 -0.73 0.00 0.00 179.01 177.66 2wdh h LYS 18 N -0.28 0.89 -0.89 1.92 1.63 -1.23 -2.39 116.57 116.23 2wdh h LYS 18 Ca 0.02 -0.05 0.24 0.00 -0.85 0.00 0.00 60.65 60.01 2wdh h LYS 18 Cb 0.33 -0.20 -0.14 0.00 -0.60 0.00 0.00 32.23 31.62 2wdh h LYS 18 CO -0.23 0.59 0.27 0.28 -3.45 0.00 0.00 179.45 176.91 2wdh h VAL 19 N 0.92 0.32 0.06 2.00 2.07 0.48 -0.07 116.25 122.03 2wdh h VAL 19 Ca 0.26 -0.08 -0.25 0.00 0.82 0.00 0.00 66.70 67.46 2wdh h VAL 19 Cb -0.07 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 2wdh h VAL 19 CO -0.07 0.04 -1.19 -0.07 0.02 0.00 0.00 177.57 176.30 2wdh h LEU 20 N 0.23 0.20 -0.81 2.57 3.38 -0.25 -2.59 115.31 118.04 2wdh h LEU 20 Ca 0.57 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 2wdh h LEU 20 Cb 1.16 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 2wdh h LEU 20 CO -0.65 1.18 0.33 -0.33 0.09 0.00 0.00 178.44 179.07 2wdh h GLU 21 N 0.03 1.21 -0.59 1.13 5.08 -0.67 0.57 114.58 121.34 2wdh h GLU 21 Ca -0.10 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 2wdh h GLU 21 Cb 1.89 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 30.91 2wdh h GLU 21 CO 0.16 0.97 0.13 -0.07 -1.00 0.00 0.00 179.01 179.19 2wdh h LEU 22 N 1.18 0.88 -0.99 1.33 -0.00 -1.11 -0.71 115.31 115.88 2wdh h LEU 22 Ca 0.27 -0.17 0.11 0.00 -0.00 0.00 0.00 57.88 58.09 2wdh h LEU 22 Cb 0.20 -0.23 -0.08 0.00 -0.00 0.00 0.00 40.66 40.55 2wdh h LEU 22 CO -0.02 0.86 0.62 -1.13 -0.00 0.00 0.00 178.44 178.77 2wdh h ASN 23 N 0.89 0.92 -1.56 -0.43 -1.24 -0.58 0.13 115.58 113.71 2wdh h ASN 23 Ca 0.19 0.04 -0.46 0.00 0.71 0.00 0.00 56.30 56.78 2wdh h ASN 23 Cb 0.34 -0.14 -0.06 0.00 0.73 0.00 0.00 38.32 39.20 2wdh h ASN 23 CO 0.00 0.50 1.14 0.00 -1.29 0.00 0.00 177.43 177.79 2wdh s ALA 24 N -5.97 2.21 0.00 1.57 0.00 -0.01 -2.18 121.76 117.38 2wdh s ALA 24 Ca -0.12 -1.27 0.00 0.00 0.00 0.00 0.00 51.96 50.57 2wdh s ALA 24 Cb 0.22 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2wdh s ALA 24 CO 0.81 -4.01 0.00 1.63 0.00 0.00 0.00 175.76 174.19 2wdh n LYS 25 N 9.09 0.00 -3.00 0.00 4.76 -1.25 -4.72 118.16 123.03 2wdh n LYS 25 Ca 0.25 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.68 2wdh n LYS 25 Cb 0.50 -0.90 -0.01 0.00 -1.84 0.00 0.00 35.03 32.78 2wdh n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdh n GLY 26 N -2.15 -1.42 0.00 0.72 0.00 0.35 -5.02 105.19 97.66 2wdh n GLY 26 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2wdh n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdh n GLU 27 N 1.68 3.04 0.00 1.61 4.71 -0.53 -5.01 120.64 126.14 2wdh n GLU 27 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 2wdh n GLU 27 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.71 2wdh n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wdh n LYS 28 N -0.11 3.11 0.00 3.49 4.76 -1.26 -5.00 118.16 123.15 2wdh n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wdh n LYS 28 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wdh n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wdh n ARG 29 N 0.00 0.00 -1.51 1.97 -4.01 -1.26 -4.84 116.66 107.01 2wdh n ARG 29 Ca 0.00 0.00 -0.15 0.00 -1.04 0.00 0.00 57.85 56.66 2wdh n ARG 29 Cb 0.00 -0.00 -0.11 0.00 -3.04 0.00 0.00 32.46 29.30 2wdh n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2wdh n LEU 30 N 0.00 0.61 -3.66 2.89 0.00 -1.26 -4.48 117.00 111.10 2wdh n LEU 30 Ca 0.00 -1.39 -0.30 0.00 0.00 0.00 0.00 56.01 54.32 2wdh n LEU 30 Cb 0.01 -1.31 -0.14 0.00 0.00 0.00 0.00 43.42 41.97 2wdh n LEU 30 CO 0.00 -2.41 -0.32 -0.51 0.00 0.00 0.00 177.39 174.15 2wdh s ILE 31 N 10.36 0.67 1.00 1.96 2.07 -1.26 -5.07 121.20 130.93 2wdh s ILE 31 Ca 0.95 -1.46 -0.14 0.00 -1.41 0.00 0.00 60.65 58.60 2wdh s ILE 31 Cb -0.30 -1.51 0.19 0.00 0.13 0.00 0.00 42.46 40.97 2wdh s ILE 31 CO 0.22 -0.75 1.12 -0.54 -1.91 0.00 0.00 174.94 173.08 2wdh s LYS 32 N 1.49 0.40 -0.10 3.50 1.02 -1.26 -0.51 119.74 124.28 2wdh s LYS 32 Ca 0.12 0.27 -0.33 0.00 0.02 0.00 0.00 55.97 56.05 2wdh s LYS 32 Cb -0.19 -1.76 0.14 0.00 -0.52 0.00 0.00 37.83 35.50 2wdh s LYS 32 CO -0.21 -2.69 1.33 -0.08 -0.92 0.00 0.00 175.35 172.77 2wdh s THR 33 N -3.14 0.00 0.00 2.17 -1.32 -0.96 -4.72 115.64 107.67 2wdh s THR 33 Ca 0.66 -0.10 0.08 0.00 -1.21 0.00 0.00 61.69 61.13 2wdh s THR 33 Cb -0.15 -1.71 0.14 0.00 -1.51 0.00 0.00 72.50 69.27 2wdh s THR 33 CO 0.55 0.00 1.04 0.79 -2.21 0.00 0.00 174.62 174.79 2wdh n TRP 34 N -0.37 0.00 -2.09 9.09 8.01 -1.26 -3.73 117.44 127.09 2wdh n TRP 34 Ca -0.06 -0.17 -0.34 0.00 -1.31 0.00 0.00 57.50 55.62 2wdh n TRP 34 Cb 0.62 -0.06 0.03 0.00 -2.01 0.00 0.00 31.31 29.88 2wdh n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2wdh n SER 35 N 0.16 6.42 0.00 -0.99 3.41 -1.26 -4.65 113.62 116.71 2wdh n SER 35 Ca 0.01 -3.79 0.05 0.00 -0.26 0.00 0.00 58.87 54.88 2wdh n SER 35 Cb 0.84 -0.81 0.25 0.00 -0.26 0.00 0.00 64.21 64.23 2wdh n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2wdh n ARG 36 N -0.55 0.19 -0.12 4.33 1.85 -1.26 -0.99 116.66 120.11 2wdh n ARG 36 Ca 0.49 0.14 0.10 0.00 -1.00 0.00 0.00 57.85 57.58 2wdh n ARG 36 Cb 0.45 -1.50 0.31 0.00 -1.05 0.00 0.00 32.46 30.67 2wdh n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2wdh n ARG 37 N -1.20 1.94 -3.72 2.89 -4.01 -1.26 -1.12 116.66 110.18 2wdh n ARG 37 Ca 0.05 -1.41 -0.23 0.00 -1.04 0.00 0.00 57.85 55.22 2wdh n ARG 37 Cb 0.06 -1.41 -0.02 0.00 -3.04 0.00 0.00 32.46 28.05 2wdh n ARG 37 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2wdh s SER 38 N -1.49 4.81 0.37 2.89 1.04 -0.16 -4.91 113.70 116.26 2wdh s SER 38 Ca 0.33 -1.00 0.05 0.00 0.48 0.00 0.00 55.95 55.81 2wdh s SER 38 Cb 0.18 -0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.21 2wdh s SER 38 CO 0.27 -0.88 0.53 -0.89 0.98 0.00 0.00 173.24 173.25 2wdh s THR 39 N -2.62 3.94 -0.01 2.02 2.01 -1.26 -2.19 115.64 117.52 2wdh s THR 39 Ca 0.42 -0.87 -0.23 0.00 0.31 0.00 0.00 61.69 61.32 2wdh s THR 39 Cb -0.02 -3.38 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 2wdh s THR 39 CO 0.25 -0.18 0.70 -0.63 -0.69 0.00 0.00 174.62 174.07 2wdh s ILE 40 N -2.29 4.90 -0.05 1.82 1.01 -1.14 -4.81 121.20 120.64 2wdh s ILE 40 Ca 0.47 1.46 -0.21 0.00 0.00 0.00 0.00 60.65 62.37 2wdh s ILE 40 Cb -0.10 -4.04 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 2wdh s ILE 40 CO 0.33 0.33 0.61 -0.69 0.00 0.00 0.00 174.94 175.53 2wdh s VAL 41 N 0.24 5.02 0.18 2.92 1.01 -1.26 -4.70 120.40 123.81 2wdh s VAL 41 Ca 0.36 1.27 -0.33 0.00 0.00 0.00 0.00 61.98 63.28 2wdh s VAL 41 Cb -0.19 -3.95 -0.15 0.00 0.00 0.00 0.00 36.38 32.09 2wdh s VAL 41 CO 0.20 0.33 1.27 -2.65 0.00 0.00 0.00 175.10 174.25 2wdh n PRO 42 N 3.33 1.46 -0.52 2.72 -0.02 -1.26 -0.80 135.00 139.91 2wdh n PRO 42 Ca -0.05 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2wdh n PRO 42 Cb 0.51 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 2wdh n PRO 42 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wdh n GLU 43 N 1.99 0.00 -0.20 -0.52 0.00 -1.26 -4.80 120.64 115.85 2wdh n GLU 43 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 2wdh n GLU 43 Cb 0.26 -3.31 0.00 0.00 0.00 0.00 0.00 31.44 28.39 2wdh n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2wdh n MET 44 N -2.00 0.52 -1.86 5.31 2.81 0.02 -4.74 117.12 117.18 2wdh n MET 44 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 2wdh n MET 44 Cb 0.00 -1.24 0.05 0.00 -0.71 0.00 0.00 33.22 31.33 2wdh n MET 44 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2wdh s VAL 45 N 0.83 3.29 0.00 2.03 -7.23 -1.26 -3.45 120.40 114.60 2wdh s VAL 45 Ca 0.00 0.42 0.00 0.00 -1.81 0.00 0.00 61.98 60.59 2wdh s VAL 45 Cb 0.00 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.54 2wdh s VAL 45 CO 0.00 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 2wdh n GLY 46 N -2.98 0.97 3.19 2.32 0.00 -1.06 -4.80 105.19 102.82 2wdh n GLY 46 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2wdh n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wdh n HIS 47 N -1.26 3.92 -1.86 1.61 8.25 -1.22 -4.83 115.22 119.83 2wdh n HIS 47 Ca 0.00 -2.76 -0.43 0.00 -0.26 0.00 0.00 57.72 54.27 2wdh n HIS 47 Cb 0.00 -2.55 -0.03 0.00 1.12 0.00 0.00 29.99 28.53 2wdh n HIS 47 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wdh s THR 48 N 4.22 3.31 0.40 1.59 -4.23 -1.26 -4.68 115.64 114.98 2wdh s THR 48 Ca 0.52 0.32 -0.01 0.00 -1.18 0.00 0.00 61.69 61.34 2wdh s THR 48 Cb 0.09 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.49 2wdh s THR 48 CO 0.01 -0.25 0.63 -0.63 -0.54 0.00 0.00 174.62 173.84 2wdh s ILE 49 N 7.23 4.94 -0.66 2.99 1.09 -0.84 -4.13 121.20 131.82 2wdh s ILE 49 Ca 0.87 -0.28 -0.01 0.00 -1.10 0.00 0.00 60.65 60.13 2wdh s ILE 49 Cb -0.27 -3.83 0.17 0.00 -1.06 0.00 0.00 42.46 37.47 2wdh s ILE 49 CO 0.34 -0.62 0.47 0.00 -0.10 0.00 0.00 174.94 175.03 2wdh s ALA 50 N -2.46 3.66 0.77 9.38 0.00 0.33 -2.23 121.76 131.21 2wdh s ALA 50 Ca 0.43 -3.41 -0.11 0.00 0.00 0.00 0.00 51.96 48.87 2wdh s ALA 50 Cb -0.10 -2.57 0.05 0.00 0.00 0.00 0.00 23.12 20.50 2wdh s ALA 50 CO 0.39 -2.10 1.08 0.08 0.00 0.00 0.00 175.76 175.21 2wdh s VAL 51 N -0.42 3.41 -0.29 0.00 1.01 -1.06 -2.27 120.40 120.78 2wdh s VAL 51 Ca 0.19 0.46 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 2wdh s VAL 51 Cb -0.18 -3.04 0.03 0.00 0.00 0.00 0.00 36.38 33.19 2wdh s VAL 51 CO -0.05 -0.60 0.03 -0.47 0.00 0.00 0.00 175.10 174.01 2wdh s TYR 52 N -2.97 3.18 -0.65 5.22 5.04 -1.24 0.13 117.35 126.05 2wdh s TYR 52 Ca 0.61 -1.44 0.25 0.00 -2.44 0.00 0.00 57.07 54.05 2wdh s TYR 52 Cb -0.16 -2.17 0.67 0.00 0.35 0.00 0.00 41.96 40.65 2wdh s TYR 52 CO 0.56 -0.71 1.73 -2.95 -1.34 0.00 0.00 175.55 172.84 2wdh h ASN 53 N 8.12 0.00 0.00 4.32 -1.07 -1.84 -3.46 115.58 121.65 2wdh h ASN 53 Ca -0.27 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.09 2wdh h ASN 53 Cb 1.10 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.35 2wdh h ASN 53 CO 0.58 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.69 2wdh n GLY 54 N 1.25 1.17 1.06 9.14 0.00 -1.26 -4.41 105.19 112.14 2wdh n GLY 54 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2wdh n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdh n LYS 55 N 0.00 0.00 -4.38 1.61 4.81 -1.26 -5.12 118.16 113.82 2wdh n LYS 55 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.25 2wdh n LYS 55 Cb 0.00 -0.01 -0.10 0.00 0.02 0.00 0.00 35.03 34.94 2wdh n LYS 55 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2wdh s GLN 56 N -1.02 1.46 0.30 1.64 -2.07 -1.26 -5.13 119.66 113.58 2wdh s GLN 56 Ca 0.00 -1.75 -0.28 0.00 -1.82 0.00 0.00 55.36 51.50 2wdh s GLN 56 Cb 0.00 -0.81 -0.09 0.00 -1.09 0.00 0.00 33.01 31.01 2wdh s GLN 56 CO 0.00 -0.08 1.04 -1.01 -1.32 0.00 0.00 175.29 173.92 2wdh s HIS 57 N -3.28 3.63 -0.24 9.60 3.76 -1.25 -3.45 115.29 124.06 2wdh s HIS 57 Ca 0.30 1.75 -0.08 0.00 -0.15 0.00 0.00 55.06 56.88 2wdh s HIS 57 Cb 0.06 -3.15 -0.04 0.00 1.11 0.00 0.00 32.58 30.56 2wdh s HIS 57 CO 0.11 -0.25 0.10 0.14 -0.85 0.00 0.00 174.74 173.99 2wdh s VAL 58 N -1.30 4.71 -0.77 -0.90 -7.23 0.34 -4.86 120.40 110.39 2wdh s VAL 58 Ca 0.47 -0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.49 2wdh s VAL 58 Cb -0.27 -3.19 -0.09 0.00 0.56 0.00 0.00 36.38 33.39 2wdh s VAL 58 CO 0.35 0.35 1.95 -0.81 -0.31 0.00 0.00 175.10 176.63 2wdh n PRO 59 N 4.53 1.69 -2.72 4.82 -0.04 -1.26 -2.58 135.00 139.43 2wdh n PRO 59 Ca -0.16 -1.48 -0.40 0.00 -0.04 0.00 0.00 63.50 61.42 2wdh n PRO 59 Cb 0.52 -2.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.37 2wdh n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wdh s VAL 60 N 4.10 4.16 0.00 0.52 0.11 -0.95 -4.97 120.40 123.38 2wdh s VAL 60 Ca 0.42 2.04 0.00 0.00 -2.93 0.00 0.00 61.98 61.51 2wdh s VAL 60 Cb 0.11 -4.30 0.00 0.00 -1.53 0.00 0.00 36.38 30.66 2wdh s VAL 60 CO 0.02 0.43 0.00 0.00 -3.33 0.00 0.00 175.10 172.22 2wdh n TYR 61 N 1.89 0.00 0.00 1.54 9.36 -1.26 -1.99 117.16 126.70 2wdh n TYR 61 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 2wdh n TYR 61 Cb 0.48 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 2wdh n TYR 61 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 2wdh n ILE 62 N 0.00 0.00 -4.19 2.97 0.13 -1.26 -4.31 119.36 112.70 2wdh n ILE 62 Ca 0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.51 2wdh n ILE 62 Cb 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 39.64 38.74 2wdh n ILE 62 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 2wdh n THR 63 N 0.00 0.00 0.13 9.51 5.66 -1.26 -2.57 114.28 125.75 2wdh n THR 63 Ca 0.00 -1.78 -0.14 0.00 -3.05 0.00 0.00 64.05 59.08 2wdh n THR 63 Cb 0.00 0.91 -0.07 0.00 -1.55 0.00 0.00 70.33 69.61 2wdh n THR 63 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2wdh h GLU 64 N 0.00 -0.27 -1.05 1.09 4.11 -1.99 -2.72 114.58 113.75 2wdh h GLU 64 Ca -0.18 0.02 0.27 0.00 0.07 0.00 0.00 59.36 59.54 2wdh h GLU 64 Cb 0.90 0.06 -0.09 0.00 0.50 0.00 0.00 28.75 30.12 2wdh h GLU 64 CO 0.26 -0.18 0.68 -0.91 0.07 0.00 0.00 179.01 178.93 2wdh h ASN 65 N -0.28 0.41 -3.81 3.06 4.21 -2.06 -3.17 115.58 113.94 2wdh h ASN 65 Ca -0.02 0.08 -0.76 0.00 1.21 0.00 0.00 56.30 56.80 2wdh h ASN 65 Cb 0.22 0.01 -0.30 0.00 -1.12 0.00 0.00 38.32 37.14 2wdh h ASN 65 CO 0.03 0.08 0.03 0.00 -1.29 0.00 0.00 177.43 176.28 2wdh s MET 66 N -5.44 3.44 0.07 0.81 0.23 -1.03 -4.78 119.30 112.60 2wdh s MET 66 Ca -0.08 -2.72 0.00 0.00 -1.03 0.00 0.00 55.69 51.86 2wdh s MET 66 Cb 0.25 -4.24 0.00 0.00 -1.53 0.00 0.00 34.83 29.31 2wdh s MET 66 CO 0.80 -1.25 0.00 0.28 -2.03 0.00 0.00 175.02 172.82 2wdh n VAL 67 N 3.43 0.20 0.31 5.16 0.31 -1.20 -4.28 118.33 122.25 2wdh n VAL 67 Ca 0.15 0.07 0.19 0.00 -0.01 0.00 0.00 64.34 64.74 2wdh n VAL 67 Cb 0.42 -0.98 0.94 0.00 -0.91 0.00 0.00 33.84 33.31 2wdh n VAL 67 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2wdh h GLY 68 N 0.00 0.00 -3.66 2.92 0.00 -1.86 -3.24 103.07 97.23 2wdh h GLY 68 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2wdh h GLY 68 CO 0.00 0.00 0.56 0.30 0.00 0.00 0.00 176.54 177.40 2wdh s HIS 69 N -3.88 3.20 1.06 5.60 3.76 -1.26 -4.65 115.29 119.12 2wdh s HIS 69 Ca -0.02 1.53 -0.15 0.00 -0.15 0.00 0.00 55.06 56.27 2wdh s HIS 69 Cb 0.11 -3.50 0.22 0.00 1.11 0.00 0.00 32.58 30.52 2wdh s HIS 69 CO 0.44 -1.36 1.12 0.15 -0.85 0.00 0.00 174.74 174.24 2wdh s LYS 70 N -1.83 -0.09 0.18 1.40 -0.14 -1.26 -2.88 119.74 115.12 2wdh s LYS 70 Ca 0.50 0.21 0.11 0.00 -1.36 0.00 0.00 55.97 55.43 2wdh s LYS 70 Cb -0.35 -1.70 -0.09 0.00 -1.68 0.00 0.00 37.83 34.01 2wdh s LYS 70 CO 0.46 -3.01 1.31 -0.07 -0.76 0.00 0.00 175.35 173.28 2wdh h LEU 71 N -2.09 0.00 -1.00 3.17 3.38 -1.54 -3.26 115.31 113.98 2wdh h LEU 71 Ca -0.50 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 2wdh h LEU 71 Cb 1.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.03 2wdh h LEU 71 CO 0.49 0.76 0.33 1.23 0.09 0.00 0.00 178.44 181.34 2wdh h GLY 72 N 3.26 1.12 0.76 0.83 0.00 -1.39 -1.81 103.07 105.85 2wdh h GLY 72 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2wdh h GLY 72 CO 0.10 0.53 0.00 1.18 0.00 0.00 0.00 176.54 178.34 2wdh n GLU 73 N -4.32 0.00 -0.07 4.80 1.02 -1.23 -1.07 120.64 119.78 2wdh n GLU 73 Ca 0.07 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.23 2wdh n GLU 73 Cb 0.15 -1.45 0.03 0.00 -0.02 0.00 0.00 31.44 30.16 2wdh n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2wdh n PHE 74 N -0.87 0.00 -3.61 -0.32 3.72 -0.68 -4.92 117.46 110.77 2wdh n PHE 74 Ca 0.00 -0.46 -0.29 0.00 -0.05 0.00 0.00 57.45 56.64 2wdh n PHE 74 Cb 0.00 -0.06 -0.13 0.00 -0.94 0.00 0.00 39.48 38.35 2wdh n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wdh s ALA 75 N -1.13 1.55 -0.25 4.37 0.00 -0.23 -4.95 121.76 121.11 2wdh s ALA 75 Ca 0.08 -2.14 -0.34 0.00 0.00 0.00 0.00 51.96 49.56 2wdh s ALA 75 Cb 0.07 -1.73 -0.11 0.00 0.00 0.00 0.00 23.12 21.35 2wdh s ALA 75 CO 0.01 -2.02 2.08 -0.35 0.00 0.00 0.00 175.76 175.48 2wdh n PRO 76 N 3.97 1.52 0.00 0.00 -0.04 -1.26 -4.71 135.00 134.48 2wdh n PRO 76 Ca 0.08 0.47 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 2wdh n PRO 76 Cb 0.37 -2.61 0.74 0.00 -0.04 0.00 0.00 33.50 31.95 2wdh n PRO 76 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wdh n THR 77 N 6.57 0.07 -4.37 0.52 -2.24 -1.26 -4.84 114.28 108.73 2wdh n THR 77 Ca 0.33 0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.94 2wdh n THR 77 Cb 0.28 -0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 67.81 2wdh n THR 77 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wdh s ARG 78 N -2.24 1.46 -0.08 -0.78 0.52 -1.26 -4.95 118.95 111.61 2wdh s ARG 78 Ca 0.34 -1.77 0.01 0.00 -0.52 0.00 0.00 55.73 53.79 2wdh s ARG 78 Cb 0.18 -0.69 -0.02 0.00 0.52 0.00 0.00 34.95 34.94 2wdh s ARG 78 CO 0.35 -0.14 -0.12 0.99 0.02 0.00 0.00 175.30 176.40 2wdh s THR 79 N -3.39 3.25 0.00 0.02 2.01 -1.26 -4.82 115.64 111.44 2wdh s THR 79 Ca 0.32 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2wdh s THR 79 Cb 0.07 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.26 2wdh s THR 79 CO 0.12 0.57 0.00 0.00 -0.69 0.00 0.00 174.62 174.61 2wdh n TYR 80 N 2.74 0.00 -2.70 4.92 9.36 -1.26 -5.13 117.16 125.10 2wdh n TYR 80 Ca -0.18 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 60.90 2wdh n TYR 80 Cb 0.52 -0.89 0.07 0.00 -0.63 0.00 0.00 39.34 38.41 2wdh n TYR 80 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wdh n ARG 81 N -0.49 0.36 0.00 2.98 5.12 -1.26 -5.27 116.66 118.10 2wdh n ARG 81 Ca 0.00 -1.95 0.00 0.00 -1.93 0.00 0.00 57.85 53.97 2wdh n ARG 81 Cb 0.19 -0.34 0.00 0.00 -1.16 0.00 0.00 32.46 31.15 2wdh n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11