#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qkf s VAL 9 N 0.00 0.89 0.04 1.61 0.11 -1.26 -5.04 120.40 116.76 1qkf s VAL 9 Ca 0.00 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 58.66 1qkf s VAL 9 Cb 0.00 -0.78 -0.02 0.00 -1.53 0.00 0.00 36.38 34.05 1qkf s VAL 9 CO 0.00 0.27 -0.13 0.12 -3.33 0.00 0.00 175.10 172.03 1qkf s PHE 10 N 0.08 1.10 -0.23 1.54 5.36 -1.24 -5.08 117.98 119.51 1qkf s PHE 10 Ca -0.02 -0.37 -0.06 0.00 -0.96 0.00 0.00 56.93 55.53 1qkf s PHE 10 Cb -0.08 -0.65 -0.02 0.00 -0.34 0.00 0.00 43.02 41.93 1qkf s PHE 10 CO 0.00 0.02 0.02 0.54 -1.46 0.00 0.00 175.22 174.34 1qkf s VAL 11 N -0.94 3.92 -0.52 3.12 0.11 -1.26 -1.78 120.40 123.05 1qkf s VAL 11 Ca -0.00 -0.31 -0.32 0.00 -2.93 0.00 0.00 61.98 58.42 1qkf s VAL 11 Cb -0.08 -2.81 -0.12 0.00 -1.53 0.00 0.00 36.38 31.84 1qkf s VAL 11 CO 0.01 0.39 2.36 -0.67 -3.33 0.00 0.00 175.10 173.86 1qkf n ASP 12 N 4.72 1.82 0.25 3.54 2.03 -1.26 -4.75 116.55 122.90 1qkf n ASP 12 Ca -0.17 0.10 0.12 0.00 0.52 0.00 0.00 54.79 55.36 1qkf n ASP 12 Cb 0.51 -1.29 0.66 0.00 -0.72 0.00 0.00 41.12 40.29 1qkf n ASP 12 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1qkf h ASP 13 N 14.39 0.00 0.40 1.67 3.58 -1.97 -1.54 116.42 132.96 1qkf h ASP 13 Ca -0.22 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.19 1qkf h ASP 13 Cb 1.30 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.35 1qkf h ASP 13 CO 1.13 0.15 -0.21 -0.74 -2.88 0.00 0.00 179.24 176.70 1qkf h HIS 14 N 0.00 0.00 0.18 0.28 2.76 -1.96 -0.90 115.15 115.51 1qkf h HIS 14 Ca -0.00 0.00 -0.31 0.00 -2.20 0.00 0.00 60.37 57.86 1qkf h HIS 14 Cb 0.42 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.40 1qkf h HIS 14 CO 0.00 0.21 -1.38 1.37 -1.30 0.00 0.00 177.93 176.83 1qkf h LEU 15 N 0.00 0.60 -0.66 0.26 8.10 -1.53 -3.29 115.31 118.80 1qkf h LEU 15 Ca -0.00 -0.66 -0.05 0.00 0.11 0.00 0.00 57.88 57.27 1qkf h LEU 15 Cb 0.46 -0.20 -0.03 0.00 -0.44 0.00 0.00 40.66 40.46 1qkf h LEU 15 CO 0.03 1.52 0.20 -0.07 -4.11 0.00 0.00 178.44 176.01 1qkf h LEU 16 N 0.10 0.96 -2.29 0.17 4.07 -1.25 0.02 115.31 117.09 1qkf h LEU 16 Ca -0.20 -0.21 0.03 0.00 0.08 0.00 0.00 57.88 57.58 1qkf h LEU 16 Cb 2.06 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 43.55 1qkf h LEU 16 CO 0.23 0.91 0.23 1.05 -1.08 0.00 0.00 178.44 179.78 1qkf h GLU 17 N 0.95 0.00 0.00 1.13 4.11 -1.24 -0.32 114.58 119.21 1qkf h GLU 17 Ca 0.21 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.36 1qkf h GLU 17 Cb 0.30 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1qkf h GLU 17 CO -0.01 0.00 -2.21 1.63 0.07 0.00 0.00 179.01 178.50 1qkf n LYS 18 N -3.33 0.92 0.04 1.06 5.02 -0.77 -4.31 118.16 116.81 1qkf n LYS 18 Ca -0.00 -0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.11 1qkf n LYS 18 Cb 0.32 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.81 1qkf n LYS 18 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1qkf h VAL 19 N 0.00 1.35 0.00 -0.18 3.04 0.07 -2.84 116.25 117.69 1qkf h VAL 19 Ca -0.42 -2.23 -0.02 0.00 -1.01 0.00 0.00 66.70 63.02 1qkf h VAL 19 Cb 1.94 2.24 -0.00 0.00 -2.01 0.00 0.00 31.29 33.46 1qkf h VAL 19 CO 0.02 0.68 -0.09 0.17 -1.01 0.00 0.00 177.57 177.34 1qkf h LEU 20 N 0.34 0.00 -0.53 3.16 8.10 -1.32 0.21 115.31 125.26 1qkf h LEU 20 Ca -0.07 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 57.76 1qkf h LEU 20 Cb 1.49 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.71 1qkf h LEU 20 CO 0.16 0.09 -0.55 -0.33 -4.11 0.00 0.00 178.44 173.70 1qkf h GLU 21 N 0.00 0.54 0.00 0.17 5.08 -1.71 -1.07 114.58 117.59 1qkf h GLU 21 Ca -0.00 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 57.93 1qkf h GLU 21 Cb 0.18 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1qkf h GLU 21 CO 0.01 0.95 -0.44 -0.07 -1.00 0.00 0.00 179.01 178.46 1qkf h LEU 22 N 0.41 0.00 0.00 1.33 3.38 -0.67 -2.20 115.31 117.56 1qkf h LEU 22 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1qkf h LEU 22 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1qkf h LEU 22 CO 0.10 0.44 -0.35 0.78 0.09 0.00 0.00 178.44 179.51 1qkf h ASN 23 N 0.00 0.00 0.24 -0.43 2.35 -0.48 0.66 115.58 117.93 1qkf h ASN 23 Ca -0.00 -0.03 -0.34 0.00 -0.55 0.00 0.00 56.30 55.37 1qkf h ASN 23 Cb 1.12 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.49 1qkf h ASN 23 CO 0.06 0.01 -1.76 0.00 -1.65 0.00 0.00 177.43 174.09 1qkf h ALA 24 N 2.15 0.25 0.00 -0.83 0.00 -1.01 -3.36 119.26 116.46 1qkf h ALA 24 Ca 0.00 -1.20 -0.19 0.00 0.00 0.00 0.00 54.91 53.53 1qkf h ALA 24 Cb 0.93 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1qkf h ALA 24 CO 0.00 1.12 -1.40 0.87 0.00 0.00 0.00 179.25 179.84 1qkf h LYS 25 N 0.09 0.00 0.00 0.00 1.57 -1.50 -3.48 116.57 113.26 1qkf h LYS 25 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1qkf h LYS 25 Cb 2.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.38 1qkf h LYS 25 CO 0.16 0.35 0.00 0.41 -0.57 0.00 0.00 179.45 179.80 1qkf n GLY 26 N 1.41 0.88 3.70 3.86 0.00 0.07 -5.05 105.19 110.06 1qkf n GLY 26 Ca -0.10 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1qkf n GLY 26 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qkf s GLU 27 N -0.63 4.45 -1.07 1.61 2.02 -0.31 -4.97 118.70 119.80 1qkf s GLU 27 Ca 0.00 1.48 -0.06 0.00 0.02 0.00 0.00 54.97 56.41 1qkf s GLU 27 Cb 0.00 -3.51 0.29 0.00 0.10 0.00 0.00 34.13 31.01 1qkf s GLU 27 CO 0.00 -0.26 1.27 1.63 0.02 0.00 0.00 175.26 177.91 1qkf n LYS 28 N 4.66 3.92 0.00 1.61 5.02 -1.26 -4.60 118.16 127.52 1qkf n LYS 28 Ca 0.08 -4.52 0.00 0.00 -2.02 0.00 0.00 58.31 51.86 1qkf n LYS 28 Cb 0.49 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 1qkf n LYS 28 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1qkf n ARG 29 N 1.92 3.84 -4.39 1.97 0.63 -1.26 -4.89 116.66 114.48 1qkf n ARG 29 Ca 0.25 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.90 1qkf n ARG 29 Cb 0.36 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.15 1qkf n ARG 29 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1qkf s LEU 30 N 0.00 2.49 -0.17 6.15 2.34 -1.26 -1.87 118.68 126.36 1qkf s LEU 30 Ca 0.00 -0.78 0.00 0.00 0.06 0.00 0.00 54.13 53.42 1qkf s LEU 30 Cb 0.00 -1.27 0.04 0.00 -0.56 0.00 0.00 46.19 44.40 1qkf s LEU 30 CO 0.00 0.14 -0.10 -0.63 -1.06 0.00 0.00 176.35 174.70 1qkf s ILE 31 N -1.47 1.44 0.57 1.48 1.09 -0.96 -4.92 121.20 118.44 1qkf s ILE 31 Ca 0.19 -0.77 -0.14 0.00 -1.10 0.00 0.00 60.65 58.83 1qkf s ILE 31 Cb -0.09 -1.50 -0.05 0.00 -1.06 0.00 0.00 42.46 39.76 1qkf s ILE 31 CO 0.09 0.25 1.02 -0.54 -0.10 0.00 0.00 174.94 175.66 1qkf s LYS 32 N 1.50 3.65 0.00 2.79 3.01 -1.26 -0.20 119.74 129.24 1qkf s LYS 32 Ca 0.01 0.93 -0.04 0.00 -1.01 0.00 0.00 55.97 55.86 1qkf s LYS 32 Cb -0.15 -2.09 -0.00 0.00 -1.01 0.00 0.00 37.83 34.58 1qkf s LYS 32 CO -0.09 -0.52 0.08 0.99 0.51 0.00 0.00 175.35 176.32 1qkf s THR 33 N -2.80 0.08 -0.35 2.17 2.01 -0.70 -4.57 115.64 111.47 1qkf s THR 33 Ca 0.58 -0.65 0.14 0.00 0.31 0.00 0.00 61.69 62.07 1qkf s THR 33 Cb -0.12 -0.34 0.43 0.00 0.01 0.00 0.00 72.50 72.49 1qkf s THR 33 CO 0.41 -0.36 1.10 0.79 -0.69 0.00 0.00 174.62 175.87 1qkf n TRP 34 N 1.74 -0.28 0.00 4.92 8.01 -1.26 -3.61 117.44 126.96 1qkf n TRP 34 Ca -0.22 -2.49 0.00 0.00 -1.31 0.00 0.00 57.50 53.49 1qkf n TRP 34 Cb 0.56 0.38 0.00 0.00 -2.01 0.00 0.00 31.31 30.24 1qkf n TRP 34 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.69 177.11 1qkf n SER 35 N -0.24 0.00 0.09 -0.99 7.64 -1.26 -5.04 113.62 113.82 1qkf n SER 35 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1qkf n SER 35 Cb 0.82 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.02 1qkf n SER 35 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1qkf n ARG 36 N 0.00 0.00 -1.04 1.43 0.63 -1.26 -4.87 116.66 111.55 1qkf n ARG 36 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1qkf n ARG 36 Cb 0.00 0.00 0.18 0.00 0.45 0.00 0.00 32.46 33.09 1qkf n ARG 36 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1qkf n ARG 37 N -2.81 2.33 -1.54 -0.14 1.74 -1.26 -4.03 116.66 110.94 1qkf n ARG 37 Ca 0.00 -2.64 -0.60 0.00 -0.77 0.00 0.00 57.85 53.85 1qkf n ARG 37 Cb 0.00 -2.04 -0.09 0.00 -1.02 0.00 0.00 32.46 29.31 1qkf n ARG 37 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1qkf n SER 38 N -0.79 0.76 -4.35 0.55 7.64 -1.24 -3.66 113.62 112.53 1qkf n SER 38 Ca 0.49 1.09 -0.19 0.00 1.01 0.00 0.00 58.87 61.27 1qkf n SER 38 Cb 1.48 -0.82 -0.10 0.00 -1.01 0.00 0.00 64.21 63.76 1qkf n SER 38 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qkf s THR 39 N 1.90 1.63 0.72 0.44 2.01 -0.73 -4.72 115.64 116.88 1qkf s THR 39 Ca 0.93 -2.17 -0.10 0.00 0.31 0.00 0.00 61.69 60.65 1qkf s THR 39 Cb -1.31 -2.13 0.04 0.00 0.01 0.00 0.00 72.50 69.11 1qkf s THR 39 CO 0.68 -0.53 1.08 -0.63 -0.69 0.00 0.00 174.62 174.53 1qkf s ILE 40 N -3.03 2.88 0.29 1.82 1.09 -1.26 -4.28 121.20 118.71 1qkf s ILE 40 Ca 0.24 0.14 0.05 0.00 -1.10 0.00 0.00 60.65 59.97 1qkf s ILE 40 Cb 0.01 -3.25 -0.03 0.00 -1.06 0.00 0.00 42.46 38.12 1qkf s ILE 40 CO 0.07 -0.31 0.24 0.68 -0.10 0.00 0.00 174.94 175.52 1qkf s VAL 41 N -3.35 0.00 0.34 2.92 -7.23 -1.26 -4.08 120.40 107.74 1qkf s VAL 41 Ca 0.59 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.83 1qkf s VAL 41 Cb -0.11 -2.50 0.11 0.00 0.56 0.00 0.00 36.38 34.44 1qkf s VAL 41 CO 0.49 0.00 1.82 1.55 -0.31 0.00 0.00 175.10 178.64 1qkf h PRO 42 N 2.27 0.30 0.00 4.82 0.13 -1.97 -2.03 132.00 135.52 1qkf h PRO 42 Ca -0.28 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1qkf h PRO 42 Cb 1.24 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1qkf h PRO 42 CO 0.41 0.51 0.00 0.39 -0.23 0.00 0.00 178.00 179.08 1qkf n GLU 43 N -4.18 0.01 -0.01 0.86 1.02 -1.26 -2.07 120.64 115.01 1qkf n GLU 43 Ca -0.01 0.32 0.13 0.00 -0.02 0.00 0.00 57.16 57.59 1qkf n GLU 43 Cb 0.35 -1.50 0.41 0.00 -0.02 0.00 0.00 31.44 30.68 1qkf n GLU 43 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1qkf n MET 44 N -1.49 1.84 0.00 3.49 2.81 -0.76 -4.42 117.12 118.58 1qkf n MET 44 Ca 0.03 -1.23 0.00 0.00 -1.81 0.00 0.00 57.70 54.69 1qkf n MET 44 Cb 0.12 -1.47 0.00 0.00 -0.71 0.00 0.00 33.22 31.16 1qkf n MET 44 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 1qkf n VAL 45 N 0.48 0.33 -2.46 2.03 3.14 -0.88 -1.90 118.33 119.07 1qkf n VAL 45 Ca 0.18 0.11 -0.01 0.00 -2.96 0.00 0.00 64.34 61.65 1qkf n VAL 45 Cb 0.41 -1.11 0.02 0.00 -1.06 0.00 0.00 33.84 32.11 1qkf n VAL 45 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1qkf n GLY 46 N -0.99 1.21 3.11 7.55 0.00 -1.00 -4.11 105.19 110.96 1qkf n GLY 46 Ca 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 1qkf n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qkf s HIS 47 N -0.78 0.17 -1.01 1.61 4.02 -0.80 -4.53 115.29 113.96 1qkf s HIS 47 Ca 0.18 -0.42 -0.11 0.00 1.02 0.00 0.00 55.06 55.74 1qkf s HIS 47 Cb 0.28 -0.12 0.26 0.00 -1.02 0.00 0.00 32.58 31.97 1qkf s HIS 47 CO -0.09 -0.34 0.99 0.99 1.02 0.00 0.00 174.74 177.32 1qkf s THR 48 N -2.27 5.86 -0.19 1.30 2.01 -0.78 -1.16 115.64 120.42 1qkf s THR 48 Ca -0.08 -3.08 -0.23 0.00 0.31 0.00 0.00 61.69 58.60 1qkf s THR 48 Cb -0.03 -4.56 -0.02 0.00 0.01 0.00 0.00 72.50 67.90 1qkf s THR 48 CO -0.03 -1.13 0.75 -0.63 -0.69 0.00 0.00 174.62 172.89 1qkf s ILE 49 N -0.74 4.93 -1.26 1.82 1.09 -0.87 -2.26 121.20 123.90 1qkf s ILE 49 Ca 0.26 1.45 -0.19 0.00 -1.10 0.00 0.00 60.65 61.07 1qkf s ILE 49 Cb -0.10 -4.06 0.04 0.00 -1.06 0.00 0.00 42.46 37.28 1qkf s ILE 49 CO -0.08 0.04 1.75 0.00 -0.10 0.00 0.00 174.94 176.55 1qkf s ALA 50 N 2.16 3.02 0.22 9.38 0.00 0.72 -1.12 121.76 136.13 1qkf s ALA 50 Ca 0.34 -2.74 -0.32 0.00 0.00 0.00 0.00 51.96 49.25 1qkf s ALA 50 Cb -0.16 -4.64 -0.13 0.00 0.00 0.00 0.00 23.12 18.19 1qkf s ALA 50 CO 0.11 -3.65 1.59 1.33 0.00 0.00 0.00 175.76 175.14 1qkf n VAL 51 N 6.67 0.44 -2.35 0.00 0.24 -0.77 -1.73 118.33 120.84 1qkf n VAL 51 Ca 0.47 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.34 62.25 1qkf n VAL 51 Cb 0.46 -1.75 -0.03 0.00 -1.47 0.00 0.00 33.84 31.06 1qkf n VAL 51 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1qkf s TYR 52 N 0.56 2.23 -1.86 6.34 5.04 -1.24 -1.74 117.35 126.70 1qkf s TYR 52 Ca 0.72 0.51 0.18 0.00 -2.44 0.00 0.00 57.07 56.04 1qkf s TYR 52 Cb -0.58 -4.36 1.02 0.00 0.35 0.00 0.00 41.96 38.39 1qkf s TYR 52 CO 0.41 -2.04 1.48 -1.71 -1.34 0.00 0.00 175.55 172.36 1qkf n ASN 53 N 9.74 0.00 0.00 4.32 5.15 -0.06 -3.93 115.26 130.48 1qkf n ASN 53 Ca 0.14 -0.41 0.00 0.00 -0.60 0.00 0.00 54.58 53.70 1qkf n ASN 53 Cb 0.49 -0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 1qkf n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1qkf n GLY 54 N 0.14 1.79 0.00 8.20 0.00 -1.26 -4.80 105.19 109.25 1qkf n GLY 54 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1qkf n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1qkf n LYS 55 N -0.07 0.00 -4.29 1.61 2.85 -1.26 -5.02 118.16 111.99 1qkf n LYS 55 Ca 0.00 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.07 1qkf n LYS 55 Cb 0.00 -0.49 -0.11 0.00 -0.65 0.00 0.00 35.03 33.79 1qkf n LYS 55 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1qkf s GLN 56 N -1.00 1.15 -0.45 -1.58 1.03 -1.26 -5.11 119.66 112.44 1qkf s GLN 56 Ca 0.00 -1.36 -0.14 0.00 0.04 0.00 0.00 55.36 53.90 1qkf s GLN 56 Cb 0.00 -1.05 0.06 0.00 0.03 0.00 0.00 33.01 32.05 1qkf s GLN 56 CO 0.00 0.20 0.35 -1.01 -2.54 0.00 0.00 175.29 172.29 1qkf s HIS 57 N -2.31 3.26 -0.58 9.60 3.76 -1.26 -0.88 115.29 126.88 1qkf s HIS 57 Ca 0.14 -0.96 -0.18 0.00 -0.15 0.00 0.00 55.06 53.90 1qkf s HIS 57 Cb -0.04 -3.00 0.11 0.00 1.11 0.00 0.00 32.58 30.76 1qkf s HIS 57 CO 0.05 -0.76 0.64 0.08 -0.85 0.00 0.00 174.74 173.90 1qkf s VAL 58 N 1.61 4.93 -0.87 -0.90 1.01 -0.71 -4.75 120.40 120.73 1qkf s VAL 58 Ca 0.04 -1.13 -0.25 0.00 0.00 0.00 0.00 61.98 60.64 1qkf s VAL 58 Cb -0.23 -4.44 -0.09 0.00 0.00 0.00 0.00 36.38 31.62 1qkf s VAL 58 CO 0.07 -1.05 2.12 -2.16 0.00 0.00 0.00 175.10 174.08 1qkf s PRO 59 N 2.38 2.17 -0.28 2.72 0.04 -1.25 -1.84 135.00 138.93 1qkf s PRO 59 Ca 0.09 -0.02 -0.14 0.00 0.04 0.00 0.00 61.00 60.98 1qkf s PRO 59 Cb -0.26 -4.96 -0.04 0.00 0.04 0.00 0.00 34.50 29.28 1qkf s PRO 59 CO 0.05 -3.84 0.30 0.08 0.04 0.00 0.00 177.00 173.64 1qkf s VAL 60 N 12.01 5.22 -0.55 -0.36 1.01 -0.28 -4.66 120.40 132.80 1qkf s VAL 60 Ca 0.79 0.35 -0.28 0.00 0.00 0.00 0.00 61.98 62.85 1qkf s VAL 60 Cb -0.09 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1qkf s VAL 60 CO 0.03 0.16 1.58 -0.47 0.00 0.00 0.00 175.10 176.40 1qkf s TYR 61 N 1.95 2.05 0.18 5.22 6.14 -1.25 -2.05 117.35 129.58 1qkf s TYR 61 Ca 0.12 0.55 -0.25 0.00 0.64 0.00 0.00 57.07 58.13 1qkf s TYR 61 Cb -0.16 -4.28 -0.08 0.00 0.42 0.00 0.00 41.96 37.85 1qkf s TYR 61 CO 0.11 -2.21 0.78 0.42 0.64 0.00 0.00 175.55 175.29 1qkf s ILE 62 N 6.97 4.38 0.00 3.14 1.09 -0.30 -4.92 121.20 131.57 1qkf s ILE 62 Ca 0.59 1.65 0.00 0.00 -1.10 0.00 0.00 60.65 61.80 1qkf s ILE 62 Cb -0.13 -4.09 0.00 0.00 -1.06 0.00 0.00 42.46 37.18 1qkf s ILE 62 CO 0.25 0.46 0.00 0.35 -0.10 0.00 0.00 174.94 175.89 1qkf n THR 63 N 1.40 0.00 0.04 2.92 -2.24 -1.26 -2.38 114.28 112.77 1qkf n THR 63 Ca -0.05 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.77 1qkf n THR 63 Cb 0.49 -0.67 0.21 0.00 -2.10 0.00 0.00 70.33 68.27 1qkf n THR 63 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1qkf n GLU 64 N 0.00 3.01 0.00 -0.78 2.13 -1.26 -4.08 120.64 119.66 1qkf n GLU 64 Ca 0.00 -1.65 0.00 0.00 0.66 0.00 0.00 57.16 56.17 1qkf n GLU 64 Cb 0.00 -1.88 0.00 0.00 0.27 0.00 0.00 31.44 29.83 1qkf n GLU 64 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1qkf n ASN 65 N 0.34 0.02 0.11 4.31 5.15 -1.26 -4.85 115.26 119.09 1qkf n ASN 65 Ca 0.15 -0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.18 1qkf n ASN 65 Cb 0.73 0.01 0.01 0.00 -0.53 0.00 0.00 39.78 40.00 1qkf n ASN 65 CO 0.00 0.00 0.00 0.24 1.40 0.00 0.00 177.26 178.90 1qkf h MET 66 N 0.00 0.00 -7.29 1.20 2.86 -1.86 -3.47 114.93 106.37 1qkf h MET 66 Ca 0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 57.14 1qkf h MET 66 Cb 0.00 0.00 0.16 0.00 0.06 0.00 0.00 31.60 31.82 1qkf h MET 66 CO 0.00 0.24 0.24 0.54 1.06 0.00 0.00 176.91 178.99 1qkf s VAL 67 N -3.08 2.64 0.00 -2.22 0.11 -1.26 -4.32 120.40 112.27 1qkf s VAL 67 Ca 0.02 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.27 1qkf s VAL 67 Cb 0.08 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 1qkf s VAL 67 CO 0.76 -0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.87 1qkf n GLY 68 N -0.57 1.87 0.00 6.54 0.00 -1.26 -4.98 105.19 106.79 1qkf n GLY 68 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1qkf n GLY 68 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1qkf n HIS 69 N -0.40 0.00 0.00 1.61 8.25 -1.26 -4.97 115.22 118.45 1qkf n HIS 69 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1qkf n HIS 69 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1qkf n HIS 69 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1qkf n LYS 70 N -0.76 0.00 0.00 -0.41 -0.00 -1.26 -4.32 118.16 111.41 1qkf n LYS 70 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1qkf n LYS 70 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1qkf n LYS 70 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1qkf n LEU 71 N 0.00 0.00 0.22 -5.58 -0.00 -1.26 -4.57 117.00 105.81 1qkf n LEU 71 Ca 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 56.01 56.16 1qkf n LEU 71 Cb 0.00 0.00 0.62 0.00 -0.00 0.00 0.00 43.42 44.04 1qkf n LEU 71 CO 0.00 0.00 0.94 1.23 -0.00 0.00 0.00 177.39 179.56 1qkf h GLY 72 N 0.00 0.00 1.39 1.47 0.00 -1.92 -1.30 103.07 102.71 1qkf h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qkf h GLY 72 CO 0.00 0.00 -0.50 0.83 0.00 0.00 0.00 176.54 176.87 1qkf h GLU 73 N 0.00 0.00 0.00 4.80 5.08 -1.94 -2.47 114.58 120.05 1qkf h GLU 73 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qkf h GLU 73 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1qkf h GLU 73 CO 0.00 0.00 -1.70 1.19 -1.00 0.00 0.00 179.01 177.50 1qkf n PHE 74 N -2.36 0.29 -2.72 4.33 3.01 -0.76 -4.46 117.46 114.79 1qkf n PHE 74 Ca 0.03 0.08 -0.16 0.00 1.01 0.00 0.00 57.45 58.41 1qkf n PHE 74 Cb 0.47 -0.64 0.01 0.00 -0.01 0.00 0.00 39.48 39.31 1qkf n PHE 74 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qkf n ALA 75 N -2.23 3.73 -1.24 4.37 0.00 -0.57 -4.93 120.51 119.64 1qkf n ALA 75 Ca -0.03 -3.61 -0.20 0.00 0.00 0.00 0.00 53.44 49.61 1qkf n ALA 75 Cb 0.56 -0.82 -0.11 0.00 0.00 0.00 0.00 19.45 19.08 1qkf n ALA 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1qkf n PRO 76 N -0.13 2.27 -2.61 0.00 -0.04 -0.93 -4.73 135.00 128.83 1qkf n PRO 76 Ca 0.21 -1.66 -0.42 0.00 -0.04 0.00 0.00 63.50 61.59 1qkf n PRO 76 Cb 0.72 -2.09 0.01 0.00 -0.04 0.00 0.00 33.50 32.10 1qkf n PRO 76 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1qkf n THR 77 N 1.80 5.52 -3.89 0.52 -1.04 -1.26 -5.02 114.28 110.91 1qkf n THR 77 Ca 0.47 -5.50 0.00 0.00 -2.04 0.00 0.00 64.05 56.98 1qkf n THR 77 Cb 0.73 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.34 1qkf n THR 77 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1qkf n ARG 78 N 1.15 0.00 -3.93 -2.82 3.00 -1.26 -4.84 116.66 107.96 1qkf n ARG 78 Ca 0.42 0.00 -0.21 0.00 -0.01 0.00 0.00 57.85 58.05 1qkf n ARG 78 Cb 0.29 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.71 1qkf n ARG 78 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1qkf s THR 79 N 0.00 3.83 0.00 0.55 -1.32 -1.26 -5.17 115.64 112.27 1qkf s THR 79 Ca 0.00 -1.40 0.00 0.00 -1.21 0.00 0.00 61.69 59.08 1qkf s THR 79 Cb 0.00 -3.25 0.00 0.00 -1.51 0.00 0.00 72.50 67.74 1qkf s THR 79 CO 0.00 -0.24 0.00 -1.22 -2.21 0.00 0.00 174.62 170.95