#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdg n LEU 5 N 0.00 -5.04 -0.00 -3.43 -0.00 -1.26 -5.00 117.00 102.28 2wdg n LEU 5 Ca 0.00 1.61 0.03 0.00 -0.00 0.00 0.00 56.01 57.65 2wdg n LEU 5 Cb 0.00 -2.64 -0.04 0.00 -0.00 0.00 0.00 43.42 40.75 2wdg n LEU 5 CO 0.00 -2.86 -0.43 2.29 -0.00 0.00 0.00 177.39 176.40 2wdg n LYS 6 N 1.16 1.43 -3.19 1.96 0.00 -1.26 -4.79 118.16 113.47 2wdg n LYS 6 Ca -0.29 -0.04 -0.45 0.00 -0.00 0.00 0.00 58.31 57.54 2wdg n LYS 6 Cb 0.44 -1.03 -0.00 0.00 -0.00 0.00 0.00 35.03 34.44 2wdg n LYS 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2wdg s LYS 7 N -2.15 4.08 0.00 -1.58 3.01 -1.26 -4.85 119.74 116.99 2wdg s LYS 7 Ca -0.01 -2.87 0.00 0.00 -1.01 0.00 0.00 55.97 52.08 2wdg s LYS 7 Cb 0.04 -4.73 0.00 0.00 -1.01 0.00 0.00 37.83 32.13 2wdg s LYS 7 CO 0.22 -1.45 0.00 0.41 0.51 0.00 0.00 175.35 175.04 2wdg n GLY 8 N 3.42 3.52 2.14 -3.33 0.00 -1.26 -4.93 105.19 104.76 2wdg n GLY 8 Ca 0.27 -1.56 -0.28 0.00 0.00 0.00 0.00 46.02 44.45 2wdg n GLY 8 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdg n VAL 9 N -0.12 3.26 -0.29 1.61 0.31 -1.26 -4.94 118.33 116.90 2wdg n VAL 9 Ca 0.00 -2.96 0.00 0.00 -0.01 0.00 0.00 64.34 61.37 2wdg n VAL 9 Cb 0.00 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 2wdg n VAL 9 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 2wdg n PHE 10 N -0.94 0.00 -3.08 3.52 -1.74 -1.26 -4.42 117.46 109.54 2wdg n PHE 10 Ca 0.56 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 57.05 2wdg n PHE 10 Cb 0.93 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.87 2wdg n PHE 10 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2wdg s VAL 11 N -0.16 4.99 0.24 1.97 0.11 -1.26 -4.39 120.40 121.90 2wdg s VAL 11 Ca 0.00 1.25 -0.31 0.00 -2.93 0.00 0.00 61.98 59.99 2wdg s VAL 11 Cb 0.00 -3.97 -0.13 0.00 -1.53 0.00 0.00 36.38 30.74 2wdg s VAL 11 CO 0.00 0.08 1.40 0.47 -3.33 0.00 0.00 175.10 173.73 2wdg n ASP 12 N 5.18 2.72 0.03 3.54 10.43 -1.26 -4.93 116.55 132.26 2wdg n ASP 12 Ca -0.00 1.14 -0.19 0.00 2.57 0.00 0.00 54.79 58.31 2wdg n ASP 12 Cb 0.49 -1.42 -0.11 0.00 1.84 0.00 0.00 41.12 41.92 2wdg n ASP 12 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 2wdg h ASP 13 N 4.19 0.77 0.00 -2.24 5.19 -1.99 -3.24 116.42 119.10 2wdg h ASP 13 Ca -0.45 -0.75 0.00 0.00 -0.62 0.00 0.00 57.03 55.21 2wdg h ASP 13 Cb 1.28 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.55 2wdg h ASP 13 CO 0.76 1.42 0.46 0.00 -3.12 0.00 0.00 179.24 178.76 2wdg n HIS 14 N -3.99 0.25 -0.09 4.55 1.44 -1.26 -0.72 115.22 115.39 2wdg n HIS 14 Ca -0.11 0.13 -0.10 0.00 -2.01 0.00 0.00 57.72 55.63 2wdg n HIS 14 Cb 0.81 -0.39 -0.04 0.00 0.12 0.00 0.00 29.99 30.50 2wdg n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2wdg n LEU 15 N -1.87 1.92 -0.33 2.39 7.99 -1.23 -4.43 117.00 121.44 2wdg n LEU 15 Ca -0.00 0.38 0.25 0.00 -0.01 0.00 0.00 56.01 56.62 2wdg n LEU 15 Cb 0.47 -0.77 0.48 0.00 -0.11 0.00 0.00 43.42 43.49 2wdg n LEU 15 CO 0.03 -0.22 1.06 -0.07 -1.51 0.00 0.00 177.39 176.68 2wdg h LEU 16 N -1.00 0.34 -0.10 2.23 4.07 -0.95 0.21 115.31 120.12 2wdg h LEU 16 Ca -0.07 0.22 0.02 0.00 0.08 0.00 0.00 57.88 58.13 2wdg h LEU 16 Cb 0.98 0.21 -0.03 0.00 1.08 0.00 0.00 40.66 42.90 2wdg h LEU 16 CO -0.04 -0.25 -0.25 -0.08 -1.08 0.00 0.00 178.44 176.74 2wdg h GLU 17 N 0.19 -0.24 -0.68 1.13 4.81 -1.15 0.20 114.58 118.86 2wdg h GLU 17 Ca 0.74 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 60.01 2wdg h GLU 17 Cb 1.77 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 31.16 2wdg h GLU 17 CO -0.68 -0.16 0.44 -0.22 -0.73 0.00 0.00 179.01 177.66 2wdg h LYS 18 N -0.24 0.85 -0.91 1.92 1.63 -1.25 -2.32 116.57 116.24 2wdg h LYS 18 Ca 0.02 -0.05 0.25 0.00 -0.85 0.00 0.00 60.65 60.02 2wdg h LYS 18 Cb 0.30 -0.19 -0.14 0.00 -0.60 0.00 0.00 32.23 31.60 2wdg h LYS 18 CO -0.22 0.56 0.32 0.28 -3.45 0.00 0.00 179.45 176.94 2wdg h VAL 19 N 0.87 0.32 0.06 2.00 2.07 0.47 0.02 116.25 122.06 2wdg h VAL 19 Ca 0.26 -0.09 -0.26 0.00 0.82 0.00 0.00 66.70 67.44 2wdg h VAL 19 Cb -0.04 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 2wdg h VAL 19 CO -0.08 0.05 -1.24 -0.07 0.02 0.00 0.00 177.57 176.25 2wdg h LEU 20 N 0.25 0.20 -0.86 2.57 3.38 -0.20 -2.58 115.31 118.08 2wdg h LEU 20 Ca 0.59 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 2wdg h LEU 20 Cb 1.23 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.88 2wdg h LEU 20 CO -0.64 1.19 0.33 -0.33 0.09 0.00 0.00 178.44 179.08 2wdg h GLU 21 N 0.04 1.16 -0.54 1.13 5.08 -0.61 0.40 114.58 121.24 2wdg h GLU 21 Ca -0.12 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 2wdg h GLU 21 Cb 1.90 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.93 2wdg h GLU 21 CO 0.15 0.93 0.05 -0.07 -1.00 0.00 0.00 179.01 179.08 2wdg h LEU 22 N 1.14 0.84 -1.00 1.33 -0.00 -1.10 -1.01 115.31 115.50 2wdg h LEU 22 Ca 0.26 -0.19 0.11 0.00 -0.00 0.00 0.00 57.88 58.07 2wdg h LEU 22 Cb 0.19 -0.22 -0.08 0.00 -0.00 0.00 0.00 40.66 40.55 2wdg h LEU 22 CO -0.02 0.87 0.63 -1.13 -0.00 0.00 0.00 178.44 178.79 2wdg h ASN 23 N 0.83 0.94 -1.56 -0.43 -1.24 -0.59 0.11 115.58 113.64 2wdg h ASN 23 Ca 0.17 0.04 -0.47 0.00 0.71 0.00 0.00 56.30 56.75 2wdg h ASN 23 Cb 0.42 -0.14 -0.06 0.00 0.73 0.00 0.00 38.32 39.26 2wdg h ASN 23 CO 0.01 0.51 1.15 0.00 -1.29 0.00 0.00 177.43 177.81 2wdg s ALA 24 N -5.97 2.26 0.00 1.57 0.00 -0.08 -2.29 121.76 117.25 2wdg s ALA 24 Ca -0.12 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.50 2wdg s ALA 24 Cb 0.22 -4.40 0.00 0.00 0.00 0.00 0.00 23.12 18.94 2wdg s ALA 24 CO 0.81 -3.96 0.00 1.63 0.00 0.00 0.00 175.76 174.24 2wdg n LYS 25 N 9.09 0.00 -2.99 0.00 4.76 -1.25 -4.73 118.16 123.03 2wdg n LYS 25 Ca 0.24 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.67 2wdg n LYS 25 Cb 0.50 -0.78 -0.01 0.00 -1.84 0.00 0.00 35.03 32.90 2wdg n LYS 25 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdg n GLY 26 N -2.12 -1.47 0.00 0.72 0.00 0.29 -5.02 105.19 97.58 2wdg n GLY 26 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2wdg n GLY 26 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wdg n GLU 27 N 1.69 3.07 0.00 1.61 4.71 -0.58 -5.01 120.64 126.13 2wdg n GLU 27 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 2wdg n GLU 27 Cb 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.71 2wdg n GLU 27 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2wdg n LYS 28 N -0.10 3.11 0.00 3.49 4.76 -1.26 -5.00 118.16 123.16 2wdg n LYS 28 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2wdg n LYS 28 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2wdg n LYS 28 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2wdg n ARG 29 N 0.00 0.00 -1.51 1.97 -4.01 -1.26 -4.85 116.66 107.00 2wdg n ARG 29 Ca 0.00 0.00 -0.15 0.00 -1.04 0.00 0.00 57.85 56.66 2wdg n ARG 29 Cb 0.00 -0.01 -0.12 0.00 -3.04 0.00 0.00 32.46 29.30 2wdg n ARG 29 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 2wdg n LEU 30 N 0.00 0.62 -3.65 2.89 0.00 -1.26 -4.50 117.00 111.11 2wdg n LEU 30 Ca 0.00 -1.36 -0.29 0.00 0.00 0.00 0.00 56.01 54.35 2wdg n LEU 30 Cb 0.01 -1.30 -0.14 0.00 0.00 0.00 0.00 43.42 41.99 2wdg n LEU 30 CO 0.00 -2.39 -0.32 -0.51 0.00 0.00 0.00 177.39 174.17 2wdg s ILE 31 N 10.27 0.60 1.00 1.96 2.07 -1.26 -5.07 121.20 130.77 2wdg s ILE 31 Ca 0.96 -1.42 -0.13 0.00 -1.41 0.00 0.00 60.65 58.65 2wdg s ILE 31 Cb -0.31 -1.46 0.19 0.00 0.13 0.00 0.00 42.46 41.01 2wdg s ILE 31 CO 0.22 -0.76 1.12 -0.54 -1.91 0.00 0.00 174.94 173.07 2wdg s LYS 32 N 1.51 0.43 -0.11 3.50 1.02 -1.26 -0.57 119.74 124.26 2wdg s LYS 32 Ca 0.12 0.31 -0.33 0.00 0.02 0.00 0.00 55.97 56.08 2wdg s LYS 32 Cb -0.19 -1.76 0.14 0.00 -0.52 0.00 0.00 37.83 35.51 2wdg s LYS 32 CO -0.22 -2.68 1.36 -0.08 -0.92 0.00 0.00 175.35 172.81 2wdg s THR 33 N -3.12 0.00 0.00 2.17 -1.32 -1.01 -4.72 115.64 107.64 2wdg s THR 33 Ca 0.66 -0.08 0.07 0.00 -1.21 0.00 0.00 61.69 61.13 2wdg s THR 33 Cb -0.16 -1.73 0.11 0.00 -1.51 0.00 0.00 72.50 69.21 2wdg s THR 33 CO 0.56 0.00 1.02 0.79 -2.21 0.00 0.00 174.62 174.77 2wdg n TRP 34 N -0.37 0.00 -2.05 9.09 8.01 -1.26 -3.73 117.44 127.13 2wdg n TRP 34 Ca -0.06 -0.14 -0.35 0.00 -1.31 0.00 0.00 57.50 55.64 2wdg n TRP 34 Cb 0.62 -0.05 0.03 0.00 -2.01 0.00 0.00 31.31 29.90 2wdg n TRP 34 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 2wdg n SER 35 N 0.13 6.55 0.00 -0.99 3.41 -1.26 -4.64 113.62 116.82 2wdg n SER 35 Ca 0.01 -3.79 0.04 0.00 -0.26 0.00 0.00 58.87 54.87 2wdg n SER 35 Cb 0.80 -0.84 0.24 0.00 -0.26 0.00 0.00 64.21 64.15 2wdg n SER 35 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2wdg n ARG 36 N -0.56 0.17 -0.12 4.33 1.85 -1.26 -0.82 116.66 120.25 2wdg n ARG 36 Ca 0.50 0.14 0.10 0.00 -1.00 0.00 0.00 57.85 57.59 2wdg n ARG 36 Cb 0.43 -1.50 0.31 0.00 -1.05 0.00 0.00 32.46 30.65 2wdg n ARG 36 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 2wdg n ARG 37 N -1.20 1.95 -3.71 2.89 -4.01 -1.26 -1.12 116.66 110.20 2wdg n ARG 37 Ca 0.05 -1.44 -0.23 0.00 -1.04 0.00 0.00 57.85 55.19 2wdg n ARG 37 Cb 0.06 -1.41 -0.02 0.00 -3.04 0.00 0.00 32.46 28.05 2wdg n ARG 37 CO 0.00 0.00 0.00 -1.54 -3.04 0.00 0.00 177.63 173.05 2wdg s SER 38 N -1.47 4.81 0.37 2.89 1.04 0.00 -4.91 113.70 116.43 2wdg s SER 38 Ca 0.33 -1.00 0.05 0.00 0.48 0.00 0.00 55.95 55.81 2wdg s SER 38 Cb 0.18 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 2wdg s SER 38 CO 0.27 -0.89 0.53 -0.89 0.98 0.00 0.00 173.24 173.23 2wdg s THR 39 N -2.63 3.99 -0.00 2.02 2.01 -1.26 -2.18 115.64 117.58 2wdg s THR 39 Ca 0.43 -0.86 -0.23 0.00 0.31 0.00 0.00 61.69 61.33 2wdg s THR 39 Cb -0.02 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 2wdg s THR 39 CO 0.25 -0.19 0.69 -0.63 -0.69 0.00 0.00 174.62 174.05 2wdg s ILE 40 N -2.29 4.88 -0.07 1.82 1.01 -1.14 -4.81 121.20 120.61 2wdg s ILE 40 Ca 0.46 1.44 -0.21 0.00 0.00 0.00 0.00 60.65 62.35 2wdg s ILE 40 Cb -0.10 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 2wdg s ILE 40 CO 0.33 0.35 0.59 -0.69 0.00 0.00 0.00 174.94 175.52 2wdg s VAL 41 N 0.15 5.06 0.17 2.92 1.01 -1.26 -4.70 120.40 123.75 2wdg s VAL 41 Ca 0.36 1.21 -0.33 0.00 0.00 0.00 0.00 61.98 63.22 2wdg s VAL 41 Cb -0.19 -3.93 -0.15 0.00 0.00 0.00 0.00 36.38 32.11 2wdg s VAL 41 CO 0.20 0.32 1.28 -2.65 0.00 0.00 0.00 175.10 174.25 2wdg n PRO 42 N 3.45 1.43 -0.47 2.72 -0.02 -1.26 -0.76 135.00 140.09 2wdg n PRO 42 Ca -0.05 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2wdg n PRO 42 Cb 0.51 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2wdg n PRO 42 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wdg n GLU 43 N 2.06 0.00 -0.17 -0.52 0.00 -1.26 -4.80 120.64 115.95 2wdg n GLU 43 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.31 2wdg n GLU 43 Cb 0.25 -3.22 0.00 0.00 0.00 0.00 0.00 31.44 28.47 2wdg n GLU 43 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2wdg n MET 44 N -2.00 0.49 -1.82 5.31 2.81 0.06 -4.74 117.12 117.23 2wdg n MET 44 Ca 0.00 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.59 2wdg n MET 44 Cb 0.00 -1.25 0.06 0.00 -0.71 0.00 0.00 33.22 31.32 2wdg n MET 44 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 2wdg s VAL 45 N 0.87 3.10 0.00 2.03 -7.23 -1.26 -3.42 120.40 114.48 2wdg s VAL 45 Ca 0.00 0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.53 2wdg s VAL 45 Cb 0.00 -3.30 0.00 0.00 0.56 0.00 0.00 36.38 33.64 2wdg s VAL 45 CO 0.00 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 2wdg n GLY 46 N -2.88 0.96 3.16 2.32 0.00 -1.05 -4.79 105.19 102.91 2wdg n GLY 46 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2wdg n GLY 46 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2wdg n HIS 47 N -1.22 3.85 -1.82 1.61 8.25 -1.22 -4.83 115.22 119.83 2wdg n HIS 47 Ca 0.00 -2.75 -0.43 0.00 -0.26 0.00 0.00 57.72 54.28 2wdg n HIS 47 Cb 0.00 -2.54 -0.03 0.00 1.12 0.00 0.00 29.99 28.54 2wdg n HIS 47 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2wdg s THR 48 N 4.21 3.26 0.40 1.59 -4.23 -1.26 -4.68 115.64 114.94 2wdg s THR 48 Ca 0.52 0.27 -0.01 0.00 -1.18 0.00 0.00 61.69 61.30 2wdg s THR 48 Cb 0.09 -3.34 -0.02 0.00 1.34 0.00 0.00 72.50 70.57 2wdg s THR 48 CO 0.01 -0.20 0.63 -0.63 -0.54 0.00 0.00 174.62 173.89 2wdg s ILE 49 N 7.28 4.74 -0.65 2.99 1.09 -0.80 -4.15 121.20 131.71 2wdg s ILE 49 Ca 0.89 -0.34 -0.00 0.00 -1.10 0.00 0.00 60.65 60.10 2wdg s ILE 49 Cb -0.28 -3.75 0.16 0.00 -1.06 0.00 0.00 42.46 37.53 2wdg s ILE 49 CO 0.34 -0.55 0.45 0.00 -0.10 0.00 0.00 174.94 175.08 2wdg s ALA 50 N -2.47 3.63 0.76 9.38 0.00 0.27 -2.17 121.76 131.15 2wdg s ALA 50 Ca 0.44 -3.41 -0.11 0.00 0.00 0.00 0.00 51.96 48.88 2wdg s ALA 50 Cb -0.10 -2.52 0.05 0.00 0.00 0.00 0.00 23.12 20.54 2wdg s ALA 50 CO 0.38 -2.10 1.08 0.08 0.00 0.00 0.00 175.76 175.21 2wdg s VAL 51 N -0.44 3.50 -0.28 0.00 1.01 -1.07 -2.39 120.40 120.72 2wdg s VAL 51 Ca 0.19 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.61 2wdg s VAL 51 Cb -0.18 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.16 2wdg s VAL 51 CO -0.05 -0.64 0.03 -0.47 0.00 0.00 0.00 175.10 173.97 2wdg s TYR 52 N -2.96 3.14 -0.65 5.22 5.04 -1.24 0.12 117.35 126.03 2wdg s TYR 52 Ca 0.60 -1.28 0.25 0.00 -2.44 0.00 0.00 57.07 54.21 2wdg s TYR 52 Cb -0.16 -2.18 0.64 0.00 0.35 0.00 0.00 41.96 40.61 2wdg s TYR 52 CO 0.56 -0.66 1.68 -2.95 -1.34 0.00 0.00 175.55 172.84 2wdg h ASN 53 N 8.14 0.00 0.00 4.32 -1.07 -1.83 -3.46 115.58 121.67 2wdg h ASN 53 Ca -0.30 -0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.05 2wdg h ASN 53 Cb 1.11 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.36 2wdg h ASN 53 CO 0.59 0.01 0.00 0.61 0.07 0.00 0.00 177.43 178.71 2wdg n GLY 54 N 1.26 1.12 1.05 9.14 0.00 -1.26 -4.42 105.19 112.08 2wdg n GLY 54 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2wdg n GLY 54 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdg n LYS 55 N 0.00 0.00 -4.39 1.61 4.81 -1.26 -5.12 118.16 113.80 2wdg n LYS 55 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 2wdg n LYS 55 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 2wdg n LYS 55 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 2wdg s GLN 56 N -0.96 1.49 0.30 1.64 -2.07 -1.26 -5.12 119.66 113.68 2wdg s GLN 56 Ca 0.00 -1.78 -0.28 0.00 -1.82 0.00 0.00 55.36 51.49 2wdg s GLN 56 Cb 0.00 -0.85 -0.09 0.00 -1.09 0.00 0.00 33.01 30.98 2wdg s GLN 56 CO 0.00 -0.08 1.02 -1.01 -1.32 0.00 0.00 175.29 173.90 2wdg s HIS 57 N -3.26 3.63 -0.23 9.60 3.76 -1.25 -3.40 115.29 124.13 2wdg s HIS 57 Ca 0.31 1.76 -0.08 0.00 -0.15 0.00 0.00 55.06 56.90 2wdg s HIS 57 Cb 0.06 -3.11 -0.04 0.00 1.11 0.00 0.00 32.58 30.60 2wdg s HIS 57 CO 0.12 -0.18 0.09 0.14 -0.85 0.00 0.00 174.74 174.06 2wdg s VAL 58 N -1.36 4.71 -0.79 -0.90 -7.23 0.33 -4.86 120.40 110.30 2wdg s VAL 58 Ca 0.48 -0.04 -0.12 0.00 -1.81 0.00 0.00 61.98 60.48 2wdg s VAL 58 Cb -0.26 -3.18 -0.09 0.00 0.56 0.00 0.00 36.38 33.40 2wdg s VAL 58 CO 0.33 0.36 1.96 -0.81 -0.31 0.00 0.00 175.10 176.64 2wdg n PRO 59 N 4.43 1.71 -2.75 4.82 -0.04 -1.26 -2.61 135.00 139.30 2wdg n PRO 59 Ca -0.16 -1.54 -0.40 0.00 -0.04 0.00 0.00 63.50 61.36 2wdg n PRO 59 Cb 0.52 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.32 2wdg n PRO 59 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wdg s VAL 60 N 4.16 4.20 0.00 0.52 0.11 -0.92 -4.97 120.40 123.50 2wdg s VAL 60 Ca 0.44 2.08 0.00 0.00 -2.93 0.00 0.00 61.98 61.57 2wdg s VAL 60 Cb 0.11 -4.32 0.00 0.00 -1.53 0.00 0.00 36.38 30.64 2wdg s VAL 60 CO 0.03 0.45 0.00 0.00 -3.33 0.00 0.00 175.10 172.25 2wdg n TYR 61 N 1.87 0.00 0.00 1.54 9.36 -1.26 -1.90 117.16 126.77 2wdg n TYR 61 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 2wdg n TYR 61 Cb 0.48 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.19 2wdg n TYR 61 CO 0.00 0.00 0.00 1.51 0.22 0.00 0.00 176.86 178.59 2wdg n ILE 62 N 0.00 0.00 -4.18 2.97 0.13 -1.26 -4.29 119.36 112.73 2wdg n ILE 62 Ca 0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.51 2wdg n ILE 62 Cb 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 39.64 38.75 2wdg n ILE 62 CO 0.00 0.00 0.00 1.07 2.80 0.00 0.00 176.55 180.42 2wdg n THR 63 N 0.00 0.00 0.10 9.51 5.66 -1.26 -2.52 114.28 125.77 2wdg n THR 63 Ca 0.00 -1.78 -0.13 0.00 -3.05 0.00 0.00 64.05 59.09 2wdg n THR 63 Cb 0.00 0.90 -0.07 0.00 -1.55 0.00 0.00 70.33 69.61 2wdg n THR 63 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 175.07 173.07 2wdg h GLU 64 N 0.00 -0.17 -1.02 1.09 4.11 -1.99 -2.73 114.58 113.86 2wdg h GLU 64 Ca -0.18 0.01 0.26 0.00 0.07 0.00 0.00 59.36 59.52 2wdg h GLU 64 Cb 0.90 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.10 2wdg h GLU 64 CO 0.26 -0.11 0.66 -0.91 0.07 0.00 0.00 179.01 178.98 2wdg h ASN 65 N -0.17 0.44 -3.79 3.06 4.21 -2.06 -3.19 115.58 114.07 2wdg h ASN 65 Ca -0.01 0.07 -0.76 0.00 1.21 0.00 0.00 56.30 56.81 2wdg h ASN 65 Cb 0.14 0.00 -0.29 0.00 -1.12 0.00 0.00 38.32 37.05 2wdg h ASN 65 CO 0.02 0.10 0.06 0.00 -1.29 0.00 0.00 177.43 176.32 2wdg s MET 66 N -5.47 3.49 0.07 0.81 0.23 -1.03 -4.78 119.30 112.62 2wdg s MET 66 Ca -0.09 -2.74 0.00 0.00 -1.03 0.00 0.00 55.69 51.83 2wdg s MET 66 Cb 0.25 -4.26 0.00 0.00 -1.53 0.00 0.00 34.83 29.29 2wdg s MET 66 CO 0.80 -1.25 0.00 0.28 -2.03 0.00 0.00 175.02 172.81 2wdg n VAL 67 N 3.40 0.21 0.31 5.16 0.31 -1.21 -4.29 118.33 122.22 2wdg n VAL 67 Ca 0.16 0.07 0.19 0.00 -0.01 0.00 0.00 64.34 64.75 2wdg n VAL 67 Cb 0.42 -0.99 0.95 0.00 -0.91 0.00 0.00 33.84 33.31 2wdg n VAL 67 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2wdg h GLY 68 N 0.00 0.00 -3.61 2.92 0.00 -1.86 -3.24 103.07 97.28 2wdg h GLY 68 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2wdg h GLY 68 CO 0.00 0.00 0.54 0.30 0.00 0.00 0.00 176.54 177.38 2wdg s HIS 69 N -3.88 3.22 1.06 5.60 3.76 -1.26 -4.65 115.29 119.13 2wdg s HIS 69 Ca -0.02 1.55 -0.15 0.00 -0.15 0.00 0.00 55.06 56.29 2wdg s HIS 69 Cb 0.11 -3.47 0.22 0.00 1.11 0.00 0.00 32.58 30.55 2wdg s HIS 69 CO 0.43 -1.28 1.11 0.15 -0.85 0.00 0.00 174.74 174.30 2wdg s LYS 70 N -1.85 -0.08 0.19 1.40 -0.14 -1.26 -2.88 119.74 115.12 2wdg s LYS 70 Ca 0.50 0.25 0.12 0.00 -1.36 0.00 0.00 55.97 55.49 2wdg s LYS 70 Cb -0.34 -1.70 -0.06 0.00 -1.68 0.00 0.00 37.83 34.04 2wdg s LYS 70 CO 0.45 -3.02 1.29 -0.07 -0.76 0.00 0.00 175.35 173.24 2wdg h LEU 71 N -2.09 0.00 -1.04 3.17 3.38 -1.53 -3.26 115.31 113.94 2wdg h LEU 71 Ca -0.51 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.43 2wdg h LEU 71 Cb 1.32 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 2wdg h LEU 71 CO 0.50 0.71 0.31 1.23 0.09 0.00 0.00 178.44 181.28 2wdg h GLY 72 N 3.34 1.07 0.75 0.83 0.00 -1.39 -1.92 103.07 105.75 2wdg h GLY 72 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 47.33 46.77 2wdg h GLY 72 CO 0.09 0.50 0.00 1.18 0.00 0.00 0.00 176.54 178.31 2wdg n GLU 73 N -4.32 0.00 -0.08 4.80 1.02 -1.23 -1.08 120.64 119.75 2wdg n GLU 73 Ca 0.06 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.23 2wdg n GLU 73 Cb 0.15 -1.44 0.03 0.00 -0.02 0.00 0.00 31.44 30.17 2wdg n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2wdg n PHE 74 N -0.87 0.00 -3.61 -0.32 3.72 -0.72 -4.92 117.46 110.74 2wdg n PHE 74 Ca 0.00 -0.43 -0.29 0.00 -0.05 0.00 0.00 57.45 56.67 2wdg n PHE 74 Cb 0.00 -0.06 -0.13 0.00 -0.94 0.00 0.00 39.48 38.35 2wdg n PHE 74 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2wdg s ALA 75 N -1.06 1.50 -0.23 4.37 0.00 -0.24 -4.95 121.76 121.15 2wdg s ALA 75 Ca 0.07 -2.09 -0.34 0.00 0.00 0.00 0.00 51.96 49.60 2wdg s ALA 75 Cb 0.06 -1.71 -0.11 0.00 0.00 0.00 0.00 23.12 21.36 2wdg s ALA 75 CO 0.01 -2.00 2.06 -0.35 0.00 0.00 0.00 175.76 175.48 2wdg n PRO 76 N 4.03 1.61 0.00 0.00 -0.04 -1.26 -4.70 135.00 134.64 2wdg n PRO 76 Ca 0.07 0.51 0.14 0.00 -0.04 0.00 0.00 63.50 64.19 2wdg n PRO 76 Cb 0.37 -2.64 0.75 0.00 -0.04 0.00 0.00 33.50 31.94 2wdg n PRO 76 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2wdg n THR 77 N 6.45 0.07 -4.38 0.52 -2.24 -1.26 -4.84 114.28 108.59 2wdg n THR 77 Ca 0.32 0.02 -0.19 0.00 -2.27 0.00 0.00 64.05 61.93 2wdg n THR 77 Cb 0.28 -0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 67.84 2wdg n THR 77 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wdg s ARG 78 N -2.31 1.48 -0.09 -0.78 0.52 -1.26 -4.95 118.95 111.56 2wdg s ARG 78 Ca 0.33 -1.79 0.01 0.00 -0.52 0.00 0.00 55.73 53.77 2wdg s ARG 78 Cb 0.19 -0.69 -0.02 0.00 0.52 0.00 0.00 34.95 34.94 2wdg s ARG 78 CO 0.37 -0.15 -0.12 0.99 0.02 0.00 0.00 175.30 176.42 2wdg s THR 79 N -3.40 3.24 0.00 0.02 2.01 -1.26 -4.82 115.64 111.43 2wdg s THR 79 Ca 0.33 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2wdg s THR 79 Cb 0.07 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.26 2wdg s THR 79 CO 0.12 0.56 0.00 0.00 -0.69 0.00 0.00 174.62 174.62 2wdg n TYR 80 N 2.77 0.00 -2.68 4.92 9.36 -1.26 -5.13 117.16 125.13 2wdg n TYR 80 Ca -0.18 0.00 -0.14 0.00 3.32 0.00 0.00 57.90 60.91 2wdg n TYR 80 Cb 0.52 -0.83 0.06 0.00 -0.63 0.00 0.00 39.34 38.47 2wdg n TYR 80 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 2wdg n ARG 81 N -0.45 0.39 0.00 2.98 5.12 -1.26 -5.27 116.66 118.16 2wdg n ARG 81 Ca 0.00 -1.80 0.00 0.00 -1.93 0.00 0.00 57.85 54.12 2wdg n ARG 81 Cb 0.18 -0.31 0.00 0.00 -1.16 0.00 0.00 32.46 31.16 2wdg n ARG 81 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11