#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8f h THR 2 N 0.00 1.22 -1.05 0.00 1.35 -2.08 -3.45 112.91 108.89 2k8f h THR 2 Ca 0.00 -1.01 -0.31 0.00 -0.55 0.00 0.00 66.41 64.53 2k8f h THR 2 Cb 0.00 1.34 0.10 0.00 -1.73 0.00 0.00 68.15 67.86 2k8f h THR 2 CO 0.00 0.31 -0.62 0.00 -0.25 0.00 0.00 175.52 174.96 2k8f n GLN 3 N -4.20 0.00 0.00 4.72 6.02 -1.26 -4.87 117.38 117.79 2k8f n GLN 3 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.98 2k8f n GLN 3 Cb 0.33 -0.52 0.00 0.00 1.02 0.00 0.00 30.24 31.07 2k8f n GLN 3 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2k8f n SER 4 N 1.34 0.00 -0.29 1.08 3.41 -1.26 -4.90 113.62 113.00 2k8f n SER 4 Ca 0.04 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.72 2k8f n SER 4 Cb 0.25 0.00 0.30 0.00 -0.26 0.00 0.00 64.21 64.49 2k8f n SER 4 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2k8f h PRO 5 N 0.00 0.86 -0.37 4.33 0.11 -1.97 1.69 132.00 136.65 2k8f h PRO 5 Ca 0.00 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 2k8f h PRO 5 Cb 0.00 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 2k8f h PRO 5 CO 0.00 0.57 0.21 0.78 -0.21 0.00 0.00 178.00 179.35 2k8f h GLY 6 N 0.89 0.53 1.56 -0.55 0.00 -1.96 1.06 103.07 104.59 2k8f h GLY 6 Ca 0.42 -0.21 -0.14 0.00 0.00 0.00 0.00 47.33 47.40 2k8f h GLY 6 CO -0.18 0.21 -0.92 -0.55 0.00 0.00 0.00 176.54 175.09 2k8f h ASP 7 N 0.50 0.00 0.11 0.19 3.32 0.10 -2.42 116.42 118.23 2k8f h ASP 7 Ca 0.13 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.01 2k8f h ASP 7 Cb -0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 2k8f h ASP 7 CO -0.02 0.56 -0.65 -1.28 -1.72 0.00 0.00 179.24 176.12 2k8f h SER 8 N 0.00 0.59 -0.02 6.45 0.87 0.44 0.61 113.55 122.49 2k8f h SER 8 Ca -0.07 -0.35 -0.16 0.00 -1.23 0.00 0.00 61.79 59.97 2k8f h SER 8 Cb 1.49 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 2k8f h SER 8 CO 0.06 1.08 -0.54 0.03 -0.53 0.00 0.00 176.83 176.94 2k8f h ARG 9 N 0.37 0.60 -0.05 2.24 3.08 0.10 0.78 114.38 121.50 2k8f h ARG 9 Ca -0.02 -0.37 -0.16 0.00 0.07 0.00 0.00 59.98 59.50 2k8f h ARG 9 Cb 1.22 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 2k8f h ARG 9 CO 0.12 0.99 -0.68 0.00 -1.07 0.00 0.00 179.97 179.33 2k8f h ARG 10 N 0.47 0.24 0.00 0.04 2.47 -1.22 -2.22 114.38 114.16 2k8f h ARG 10 Ca 0.01 -0.19 -0.13 0.00 -1.26 0.00 0.00 59.98 58.41 2k8f h ARG 10 Cb 1.09 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 29.42 2k8f h ARG 10 CO 0.10 0.83 -0.64 -0.07 0.56 0.00 0.00 179.97 180.76 2k8f h LEU 11 N 0.17 0.00 -0.14 3.04 3.38 0.51 -2.02 115.31 120.26 2k8f h LEU 11 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2k8f h LEU 11 Cb 1.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 2k8f h LEU 11 CO 0.11 0.64 0.03 -1.28 0.09 0.00 0.00 178.44 178.03 2k8f h SER 12 N 0.00 0.21 0.71 -0.43 0.87 0.98 -2.05 113.55 113.84 2k8f h SER 12 Ca -0.01 -0.23 -0.10 0.00 -1.23 0.00 0.00 61.79 60.22 2k8f h SER 12 Cb 1.35 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 2k8f h SER 12 CO 0.08 0.39 -0.49 0.16 -0.53 0.00 0.00 176.83 176.44 2k8f h ILE 13 N 0.03 1.17 -0.66 2.23 3.07 -1.41 -2.27 117.51 119.66 2k8f h ILE 13 Ca 0.04 -1.79 -0.02 0.00 1.55 0.00 0.00 64.86 64.64 2k8f h ILE 13 Cb 0.26 2.02 -0.03 0.00 -0.27 0.00 0.00 36.82 38.79 2k8f h ILE 13 CO 0.00 0.48 0.32 -0.61 -1.05 0.00 0.00 178.15 177.29 2k8f h GLN 14 N 0.00 0.95 -0.30 0.16 4.15 -1.09 2.12 115.11 121.10 2k8f h GLN 14 Ca -0.00 -0.14 -0.17 0.00 0.77 0.00 0.00 58.65 59.11 2k8f h GLN 14 Cb 0.98 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.49 2k8f h GLN 14 CO 0.06 0.75 -0.48 0.00 -1.93 0.00 0.00 178.83 177.24 2k8f h ARG 15 N 0.92 0.82 -0.47 1.69 3.08 -1.29 0.93 114.38 120.06 2k8f h ARG 15 Ca 0.23 -0.48 -0.14 0.00 0.07 0.00 0.00 59.98 59.66 2k8f h ARG 15 Cb 0.11 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 2k8f h ARG 15 CO -0.03 1.11 -0.24 0.00 -1.07 0.00 0.00 179.97 179.74 2k8f h ALA 16 N 0.80 0.67 -0.19 0.04 0.00 -0.90 -2.30 119.26 117.38 2k8f h ALA 16 Ca 0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2k8f h ALA 16 Cb 1.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2k8f h ALA 16 CO 0.11 0.68 0.06 0.82 0.00 0.00 0.00 179.25 180.91 2k8f h ILE 17 N 0.85 1.19 -0.92 0.00 1.08 0.37 1.50 117.51 121.59 2k8f h ILE 17 Ca 0.10 -0.61 0.19 0.00 -0.39 0.00 0.00 64.86 64.16 2k8f h ILE 17 Cb 0.83 1.23 -0.08 0.00 -3.07 0.00 0.00 36.82 35.74 2k8f h ILE 17 CO 0.07 0.19 0.60 1.56 -0.69 0.00 0.00 178.15 179.88 2k8f h GLN 18 N 0.13 0.51 0.16 2.37 4.20 0.11 1.52 115.11 124.10 2k8f h GLN 18 Ca 0.06 -0.03 -0.36 0.00 0.06 0.00 0.00 58.65 58.38 2k8f h GLN 18 Cb 0.24 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2k8f h GLN 18 CO -0.00 0.33 -1.88 1.03 -0.67 0.00 0.00 178.83 177.64 2k8f h SER 19 N 0.52 0.51 0.06 1.46 0.87 -0.86 -2.40 113.55 113.71 2k8f h SER 19 Ca 0.49 -0.94 -0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2k8f h SER 19 Cb 1.05 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2k8f h SER 19 CO -0.22 1.82 -0.03 0.25 -0.53 0.00 0.00 176.83 178.12 2k8f h LEU 20 N 0.09 -0.07 -0.31 2.23 5.85 0.32 2.29 115.31 125.71 2k8f h LEU 20 Ca -0.39 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.16 2k8f h LEU 20 Cb 2.07 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 43.10 2k8f h LEU 20 CO 0.13 0.13 0.15 0.58 -0.34 0.00 0.00 178.44 179.09 2k8f h VAL 21 N -0.26 1.16 -0.01 1.05 2.07 0.19 0.55 116.25 120.99 2k8f h VAL 21 Ca -0.01 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2k8f h VAL 21 Cb 0.23 0.87 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2k8f h VAL 21 CO 0.01 0.16 -0.01 -0.74 0.02 0.00 0.00 177.57 177.02 2k8f h HIS 22 N 0.37 0.03 0.00 1.57 -0.00 -1.29 -1.37 115.15 114.47 2k8f h HIS 22 Ca 0.11 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 2k8f h HIS 22 Cb 0.12 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.51 2k8f h HIS 22 CO -0.02 0.44 -0.15 0.00 -0.00 0.00 0.00 177.93 178.20 2k8f h ALA 23 N 0.59 1.64 -0.01 5.26 0.00 0.39 2.01 119.26 129.13 2k8f h ALA 23 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k8f h ALA 23 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k8f h ALA 23 CO 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 179.25 179.33 2k8f n ALA 24 N -2.46 2.79 -0.01 0.00 0.00 0.19 -3.92 120.51 117.09 2k8f n ALA 24 Ca -0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 53.44 52.99 2k8f n ALA 24 Cb 0.23 -1.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.48 2k8f n ALA 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k8f n GLN 25 N -0.28 3.17 -3.39 0.00 1.13 -0.45 -3.97 117.38 113.59 2k8f n GLN 25 Ca 0.16 0.00 -0.44 0.00 -1.94 0.00 0.00 57.00 54.79 2k8f n GLN 25 Cb 0.34 -1.07 -0.01 0.00 0.11 0.00 0.00 30.24 29.61 2k8f n GLN 25 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k8f n ARG 27 N 2.70 2.35 -0.11 0.00 3.00 -1.26 -4.45 116.66 118.90 2k8f n ARG 27 Ca 0.23 -1.76 -0.13 0.00 -0.00 0.00 0.00 57.85 56.18 2k8f n ARG 27 Cb 0.39 -2.12 -0.03 0.00 0.00 0.00 0.00 32.46 30.70 2k8f n ARG 27 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 2k8f h ASN 28 N 3.13 0.87 0.00 6.15 -0.73 -1.90 -3.47 115.58 119.63 2k8f h ASN 28 Ca 0.33 -0.47 0.00 0.00 1.87 0.00 0.00 56.30 58.03 2k8f h ASN 28 Cb 1.06 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.40 2k8f h ASN 28 CO 0.63 1.16 0.00 0.00 -0.37 0.00 0.00 177.43 178.85 2k8f n ALA 29 N -2.52 0.00 -0.29 1.57 0.00 -1.26 -4.70 120.51 113.31 2k8f n ALA 29 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.48 2k8f n ALA 29 Cb 0.50 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.26 2k8f n ALA 29 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2k8f n ASN 30 N 1.78 4.22 -2.70 0.00 3.02 -1.26 -4.96 115.26 115.36 2k8f n ASN 30 Ca 0.00 -2.49 -0.31 0.00 -0.03 0.00 0.00 54.58 51.76 2k8f n ASN 30 Cb 0.00 -0.56 -0.02 0.00 -0.61 0.00 0.00 39.78 38.58 2k8f n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k8f n SER 32 N 1.16 2.27 -4.38 0.00 3.41 -1.26 -4.72 113.62 110.10 2k8f n SER 32 Ca 0.11 -1.91 -0.44 0.00 -0.26 0.00 0.00 58.87 56.37 2k8f n SER 32 Cb 0.13 -0.23 -0.08 0.00 -0.26 0.00 0.00 64.21 63.77 2k8f n SER 32 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2k8f s LEU 33 N -1.22 5.56 0.48 1.04 1.43 -1.26 -4.94 118.68 119.77 2k8f s LEU 33 Ca 0.31 -1.32 0.33 0.00 -1.03 0.00 0.00 54.13 52.42 2k8f s LEU 33 Cb 0.17 -2.17 1.45 0.00 0.03 0.00 0.00 46.19 45.67 2k8f s LEU 33 CO 0.23 -0.63 1.70 -0.65 0.23 0.00 0.00 176.35 177.23 2k8f h PRO 34 N 8.72 0.11 -0.39 1.29 0.11 -2.00 1.57 132.00 141.40 2k8f h PRO 34 Ca -0.28 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.77 2k8f h PRO 34 Cb 1.11 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2k8f h PRO 34 CO 0.86 0.07 0.02 0.77 -0.21 0.00 0.00 178.00 179.52 2k8f h SER 35 N 0.11 0.57 0.16 -2.05 0.02 -1.97 -1.97 113.55 108.42 2k8f h SER 35 Ca 0.72 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.55 2k8f h SER 35 Cb 2.46 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 64.85 2k8f h SER 35 CO -0.21 0.63 -0.07 0.00 -1.14 0.00 0.00 176.83 176.04 2k8f h GLN 37 N -0.73 0.68 -0.01 0.00 4.20 -1.38 1.33 115.11 119.20 2k8f h GLN 37 Ca -0.02 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 2k8f h GLN 37 Cb 0.52 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2k8f h GLN 37 CO 0.04 0.45 -0.81 -0.22 -0.67 0.00 0.00 178.83 177.62 2k8f h LYS 38 N 0.70 0.19 -0.03 1.46 3.11 -1.35 -1.13 116.57 119.52 2k8f h LYS 38 Ca 0.51 -0.19 -0.21 0.00 -2.81 0.00 0.00 60.65 57.96 2k8f h LYS 38 Cb 0.87 0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 32.14 2k8f h LYS 38 CO -0.28 0.90 -0.85 0.52 -2.81 0.00 0.00 179.45 176.93 2k8f h MET 39 N 0.11 0.38 -0.62 1.90 2.86 0.14 -1.80 114.93 117.91 2k8f h MET 39 Ca -0.03 -0.37 -0.07 0.00 -2.06 0.00 0.00 59.70 57.16 2k8f h MET 39 Cb 1.41 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.14 2k8f h MET 39 CO 0.12 1.04 0.10 0.87 1.06 0.00 0.00 176.91 180.10 2k8f h LYS 40 N 0.23 1.03 -1.00 1.72 1.57 0.16 0.79 116.57 121.07 2k8f h LYS 40 Ca -0.06 -0.27 0.16 0.00 -1.87 0.00 0.00 60.65 58.61 2k8f h LYS 40 Cb 1.47 -0.12 -0.10 0.00 0.08 0.00 0.00 32.23 33.56 2k8f h LYS 40 CO 0.15 0.96 0.62 -0.09 -0.57 0.00 0.00 179.45 180.51 2k8f h ARG 41 N 0.94 0.84 -0.02 3.15 2.43 -0.98 3.02 114.38 123.76 2k8f h ARG 41 Ca 0.19 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2k8f h ARG 41 Cb 0.43 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2k8f h ARG 41 CO 0.01 0.56 -0.06 0.28 -1.51 0.00 0.00 179.97 179.26 2k8f h VAL 42 N 0.87 1.46 0.03 0.20 2.07 -0.17 -1.19 116.25 119.52 2k8f h VAL 42 Ca 0.54 -1.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 2k8f h VAL 42 Cb 0.70 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 2k8f h VAL 42 CO -0.33 0.38 -0.01 0.58 0.02 0.00 0.00 177.57 178.21 2k8f h VAL 43 N -0.49 1.32 -0.85 2.57 2.07 0.17 0.70 116.25 121.74 2k8f h VAL 43 Ca -0.00 -1.13 0.15 0.00 0.82 0.00 0.00 66.70 66.53 2k8f h VAL 43 Cb 0.66 2.07 -0.06 0.00 -1.52 0.00 0.00 31.29 32.43 2k8f h VAL 43 CO 0.01 0.29 0.55 1.56 0.02 0.00 0.00 177.57 180.00 2k8f h GLN 44 N -0.54 0.58 0.19 1.57 1.08 0.53 0.04 115.11 118.56 2k8f h GLN 44 Ca -0.00 -0.04 -0.31 0.00 -1.45 0.00 0.00 58.65 56.85 2k8f h GLN 44 Cb 0.50 -0.13 0.03 0.00 -0.05 0.00 0.00 27.48 27.83 2k8f h GLN 44 CO 0.01 0.39 -1.34 1.25 -0.95 0.00 0.00 178.83 178.18 2k8f h HIS 45 N 0.60 1.00 -0.62 2.96 -0.00 -1.05 -3.02 115.15 115.02 2k8f h HIS 45 Ca 0.42 -0.67 0.13 0.00 -0.00 0.00 0.00 60.37 60.24 2k8f h HIS 45 Cb 0.76 -0.06 -0.10 0.00 -0.00 0.00 0.00 27.41 28.01 2k8f h HIS 45 CO -0.00 1.52 0.06 1.15 -0.00 0.00 0.00 177.93 180.66 2k8f h THR 46 N 0.20 0.55 -0.11 6.26 2.02 0.24 -1.44 112.91 120.62 2k8f h THR 46 Ca -0.22 -0.06 -0.23 0.00 0.77 0.00 0.00 66.41 66.67 2k8f h THR 46 Cb 2.03 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 68.80 2k8f h THR 46 CO 0.26 0.03 -0.83 0.11 0.37 0.00 0.00 175.52 175.46 2k8f h LYS 47 N 0.18 0.71 -0.77 6.66 1.57 -1.47 -3.07 116.57 120.37 2k8f h LYS 47 Ca 0.33 -0.61 0.22 0.00 -1.87 0.00 0.00 60.65 58.71 2k8f h LYS 47 Cb 0.52 0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2k8f h LYS 47 CO -0.48 1.22 0.85 0.78 -0.57 0.00 0.00 179.45 181.25 2k8f h GLY 48 N 0.67 0.00 -6.13 3.86 0.00 -1.13 -3.34 103.07 97.00 2k8f h GLY 48 Ca -0.06 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.61 2k8f h GLY 48 CO 0.16 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.96 2k8f h LYS 50 N 7.34 0.00 -0.37 0.00 1.79 -1.82 -2.66 116.57 120.85 2k8f h LYS 50 Ca -0.34 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.01 2k8f h LYS 50 Cb 1.19 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.83 2k8f h LYS 50 CO 0.59 0.84 -0.25 -0.09 -1.08 0.00 0.00 179.45 179.46 2k8f h ARG 51 N 0.00 0.82 -0.37 3.15 1.12 -1.94 -2.93 114.38 114.23 2k8f h ARG 51 Ca -0.08 -0.39 -0.11 0.00 -1.11 0.00 0.00 59.98 58.29 2k8f h ARG 51 Cb 1.80 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 31.74 2k8f h ARG 51 CO 0.11 1.02 -0.23 -0.22 -3.11 0.00 0.00 179.97 177.54 2k8f h LYS 52 N 0.61 0.73 0.00 0.20 3.64 -1.86 -2.31 116.57 117.58 2k8f h LYS 52 Ca 0.07 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2k8f h LYS 52 Cb 0.81 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2k8f h LYS 52 CO 0.07 0.90 -0.01 1.15 -2.27 0.00 0.00 179.45 179.29 2k8f h THR 53 N 0.64 0.04 -0.00 1.00 2.02 -1.34 0.13 112.91 115.40 2k8f h THR 53 Ca 0.09 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2k8f h THR 53 Cb 0.73 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2k8f h THR 53 CO 0.06 0.01 0.00 0.59 0.37 0.00 0.00 175.52 176.54 2k8f n ASN 54 N -3.12 0.29 0.00 4.18 5.03 -0.89 -4.82 115.26 115.91 2k8f n ASN 54 Ca -0.02 -1.10 0.00 0.00 0.87 0.00 0.00 54.58 54.33 2k8f n ASN 54 Cb 0.15 -0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 2k8f n ASN 54 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2k8f n GLY 55 N 1.03 0.55 0.30 7.41 0.00 0.44 -4.98 105.19 109.94 2k8f n GLY 55 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 2k8f n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k8f h GLY 56 N 0.00 0.30 -4.38 -0.02 0.00 -1.34 -3.30 103.07 94.34 2k8f h GLY 56 Ca 0.00 0.31 -0.54 0.00 0.00 0.00 0.00 47.33 47.10 2k8f h GLY 56 CO 0.00 -0.25 0.19 0.00 0.00 0.00 0.00 176.54 176.48 2k8f h PRO 58 N 5.29 0.00 -0.36 0.00 0.11 -1.96 1.04 132.00 136.13 2k8f h PRO 58 Ca -0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 2k8f h PRO 58 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2k8f h PRO 58 CO 0.70 0.00 0.03 0.82 -0.21 0.00 0.00 178.00 179.33 2k8f h ILE 59 N 0.00 1.25 0.02 4.15 2.04 -1.91 0.77 117.51 123.83 2k8f h ILE 59 Ca 0.37 -0.92 -0.22 0.00 1.00 0.00 0.00 64.86 65.09 2k8f h ILE 59 Cb 1.71 1.15 0.02 0.00 -0.74 0.00 0.00 36.82 38.96 2k8f h ILE 59 CO -0.00 0.31 -0.87 0.00 0.00 0.00 0.00 178.15 177.58 2k8f h LYS 61 N 0.15 0.37 -0.33 0.00 3.64 0.22 0.63 116.57 121.24 2k8f h LYS 61 Ca -0.11 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 2k8f h LYS 61 Cb 1.56 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 2k8f h LYS 61 CO 0.17 0.25 -0.24 0.37 -2.27 0.00 0.00 179.45 177.73 2k8f h GLN 62 N 0.39 0.75 -0.65 1.90 4.15 0.56 -2.35 115.11 119.85 2k8f h GLN 62 Ca 0.15 -0.36 -0.05 0.00 0.77 0.00 0.00 58.65 59.16 2k8f h GLN 62 Cb 0.05 -0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 2k8f h GLN 62 CO -0.10 0.98 0.20 1.25 -1.93 0.00 0.00 178.83 179.23 2k8f h LEU 63 N 0.52 0.94 -0.73 -2.39 5.85 0.17 0.45 115.31 120.12 2k8f h LEU 63 Ca 0.06 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 2k8f h LEU 63 Cb 0.80 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2k8f h LEU 63 CO 0.06 0.90 0.41 0.40 -0.34 0.00 0.00 178.44 179.87 2k8f h ILE 64 N 0.94 1.22 -0.36 4.05 2.04 0.28 0.95 117.51 126.63 2k8f h ILE 64 Ca 0.21 -0.53 -0.11 0.00 1.00 0.00 0.00 64.86 65.43 2k8f h ILE 64 Cb 0.29 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2k8f h ILE 64 CO -0.01 0.24 -0.19 0.00 0.00 0.00 0.00 178.15 178.19 2k8f h ALA 65 N 1.21 0.51 -0.79 1.87 0.00 -0.99 0.53 119.26 121.60 2k8f h ALA 65 Ca 0.26 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2k8f h ALA 65 Cb 0.02 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2k8f h ALA 65 CO -0.04 0.46 0.44 1.25 0.00 0.00 0.00 179.25 181.35 2k8f h LEU 66 N 0.56 0.99 -1.14 0.00 5.85 0.40 0.01 115.31 121.99 2k8f h LEU 66 Ca 0.08 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2k8f h LEU 66 Cb 0.74 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2k8f h LEU 66 CO 0.06 0.80 -0.01 0.00 -0.34 0.00 0.00 178.44 178.94 2k8f h ALA 67 N 1.23 1.29 -0.12 1.25 0.00 0.13 -2.20 119.26 120.85 2k8f h ALA 67 Ca 0.28 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k8f h ALA 67 Cb 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2k8f h ALA 67 CO -0.05 0.48 -0.06 0.00 0.00 0.00 0.00 179.25 179.63 2k8f h ALA 68 N 1.43 0.04 -0.53 0.00 0.00 0.20 1.11 119.26 121.53 2k8f h ALA 68 Ca 0.12 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2k8f h ALA 68 Cb 0.38 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2k8f h ALA 68 CO 0.01 -0.51 0.24 1.88 0.00 0.00 0.00 179.25 180.87 2k8f h TYR 69 N -0.05 0.77 -0.27 0.00 0.05 -1.16 -1.65 116.97 114.66 2k8f h TYR 69 Ca 0.07 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.75 2k8f h TYR 69 Cb 0.15 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.64 2k8f h TYR 69 CO -0.18 0.62 -0.05 1.25 -1.05 0.00 0.00 178.16 178.75 2k8f h HIS 70 N 0.71 0.56 0.00 4.88 2.76 -0.93 -2.15 115.15 120.98 2k8f h HIS 70 Ca 0.18 -0.11 -0.01 0.00 -2.20 0.00 0.00 60.37 58.23 2k8f h HIS 70 Cb 0.15 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 28.96 2k8f h HIS 70 CO -0.00 0.70 -0.04 0.00 -1.30 0.00 0.00 177.93 177.29 2k8f h ALA 71 N 0.79 1.41 0.07 5.26 0.00 0.14 0.14 119.26 127.07 2k8f h ALA 71 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k8f h ALA 71 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k8f h ALA 71 CO 0.02 0.05 -0.03 0.87 0.00 0.00 0.00 179.25 180.15 2k8f h LYS 72 N 0.00 -0.09 -0.81 0.00 1.57 -0.97 -3.30 116.57 112.97 2k8f h LYS 72 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2k8f h LYS 72 Cb 0.10 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 2k8f h LYS 72 CO 0.00 0.48 0.52 1.25 -0.57 0.00 0.00 179.45 181.13 2k8f h HIS 73 N -0.87 1.04 -2.68 -1.35 2.76 -0.94 -3.35 115.15 109.76 2k8f h HIS 73 Ca -0.01 0.01 -0.54 0.00 -2.20 0.00 0.00 60.37 57.63 2k8f h HIS 73 Cb 0.61 -0.35 -0.06 0.00 1.55 0.00 0.00 27.41 29.16 2k8f h HIS 73 CO 0.14 0.67 1.11 0.00 -1.30 0.00 0.00 177.93 178.55 2k8f n GLN 75 N 8.82 1.36 -4.29 0.00 -0.06 -1.26 -4.75 117.38 117.20 2k8f n GLN 75 Ca 0.11 -0.55 -0.23 0.00 -2.00 0.00 0.00 57.00 54.34 2k8f n GLN 75 Cb 0.49 -1.19 -0.12 0.00 -4.06 0.00 0.00 30.24 25.36 2k8f n GLN 75 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2k8f s GLU 76 N -1.82 1.13 -1.07 3.69 2.12 -1.26 -5.06 118.70 116.43 2k8f s GLU 76 Ca 0.17 -1.21 -0.20 0.00 0.36 0.00 0.00 54.97 54.09 2k8f s GLU 76 Cb 0.09 -1.31 0.08 0.00 0.26 0.00 0.00 34.13 33.25 2k8f s GLU 76 CO 0.13 0.29 1.43 -0.80 -0.54 0.00 0.00 175.26 175.77 2k8f s ASN 77 N -2.11 6.64 0.17 -1.70 0.01 -1.26 -4.86 114.94 111.83 2k8f s ASN 77 Ca 0.08 -1.88 -0.28 0.00 -0.71 0.00 0.00 52.86 50.06 2k8f s ASN 77 Cb -0.09 -2.52 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 2k8f s ASN 77 CO 0.05 -1.29 1.54 0.11 -1.51 0.00 0.00 177.10 176.00 2k8f h LYS 78 N 8.97 -0.02 0.00 -0.60 1.79 -1.94 -3.47 116.57 121.30 2k8f h LYS 78 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 2k8f h LYS 78 Cb 0.98 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 2k8f h LYS 78 CO 1.35 -0.01 0.00 0.00 -1.08 0.00 0.00 179.45 179.71 2k8f h PRO 80 N 0.00 0.20 -6.19 0.00 0.13 -1.91 -3.42 132.00 120.81 2k8f h PRO 80 Ca 0.00 -0.11 -0.57 0.00 -0.87 0.00 0.00 66.00 64.45 2k8f h PRO 80 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2k8f h PRO 80 CO 0.00 0.64 1.32 0.08 -0.23 0.00 0.00 178.00 179.81 2k8f s VAL 81 N -4.00 3.39 0.11 1.56 1.01 -1.25 -4.90 120.40 116.31 2k8f s VAL 81 Ca -0.04 0.38 -0.23 0.00 0.00 0.00 0.00 61.98 62.09 2k8f s VAL 81 Cb 0.13 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.88 2k8f s VAL 81 CO 0.77 -0.38 1.69 -0.65 0.00 0.00 0.00 175.10 176.53 2k8f h PRO 82 N 13.55 -0.19 -0.47 2.72 0.11 -1.92 -3.13 132.00 142.67 2k8f h PRO 82 Ca -0.34 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.80 2k8f h PRO 82 Cb 1.18 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2k8f h PRO 82 CO 1.04 -0.12 0.30 0.74 -0.21 0.00 0.00 178.00 179.75 2k8f h PHE 83 N -0.19 0.57 -0.57 0.65 0.04 -1.97 -2.02 116.94 113.44 2k8f h PHE 83 Ca 0.05 0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.94 2k8f h PHE 83 Cb 0.25 -0.19 -0.08 0.00 2.20 0.00 0.00 35.95 38.13 2k8f h PHE 83 CO -0.18 0.35 0.12 0.00 -0.60 0.00 0.00 178.31 177.99 2k8f h LEU 85 N 0.26 0.84 -1.24 0.00 3.38 -1.44 1.24 115.31 118.34 2k8f h LEU 85 Ca 0.30 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 2k8f h LEU 85 Cb 0.42 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2k8f h LEU 85 CO -0.38 0.75 -0.03 0.78 0.09 0.00 0.00 178.44 179.65 2k8f h ASN 86 N 0.91 0.45 0.00 -0.43 2.35 -0.01 0.12 115.58 118.96 2k8f h ASN 86 Ca 0.22 -0.09 -0.32 0.00 -0.55 0.00 0.00 56.30 55.55 2k8f h ASN 86 Cb 0.17 -0.12 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 2k8f h ASN 86 CO -0.02 0.54 -1.81 -0.38 -1.65 0.00 0.00 177.43 174.11 2k8f n ILE 87 N -4.27 1.53 -0.05 2.81 5.41 -0.01 -3.31 119.36 121.46 2k8f n ILE 87 Ca 0.01 -0.18 -0.16 0.00 1.00 0.00 0.00 62.75 63.43 2k8f n ILE 87 Cb 0.26 -1.99 -0.06 0.00 -0.71 0.00 0.00 39.64 37.13 2k8f n ILE 87 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2k8f h LYS 88 N -1.00 0.72 0.00 0.38 1.79 0.14 -3.25 116.57 115.35 2k8f h LYS 88 Ca -0.49 -0.51 -0.16 0.00 -2.18 0.00 0.00 60.65 57.31 2k8f h LYS 88 Cb 1.41 0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 32.12 2k8f h LYS 88 CO -0.30 1.13 -0.83 0.37 -1.08 0.00 0.00 179.45 178.74 2k8f h GLN 89 N 0.42 0.00 0.00 3.15 4.15 -0.86 -3.50 115.11 118.48 2k8f h GLN 89 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2k8f h GLN 89 Cb 1.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2k8f h GLN 89 CO 0.12 0.66 0.00 1.17 -1.93 0.00 0.00 178.83 178.85