#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 1.23 0.00 0.00 1.35 -2.10 -3.45 112.91 109.95 2k8f h THR 2 Ca 0.00 -1.07 -0.31 0.00 -0.55 0.00 0.00 66.41 64.48 2k8f h THR 2 Cb 0.00 1.38 -0.03 0.00 -1.73 0.00 0.00 68.15 67.78 2k8f h THR 2 CO 0.00 0.33 0.68 0.00 -0.25 0.00 0.00 175.52 176.27 2k8f n GLN 3 N -4.18 0.00 -2.65 4.72 6.02 -1.26 -4.89 117.38 115.15 2k8f n GLN 3 Ca -0.01 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.77 2k8f n GLN 3 Cb 0.35 -0.69 0.10 0.00 1.02 0.00 0.00 30.24 31.01 2k8f n GLN 3 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2k8f n SER 4 N 3.93 1.58 -0.26 1.08 2.88 -1.26 -4.82 113.62 116.74 2k8f n SER 4 Ca 0.27 -2.24 0.09 0.00 -1.33 0.00 0.00 58.87 55.66 2k8f n SER 4 Cb -0.01 -0.54 0.33 0.00 -0.75 0.00 0.00 64.21 63.24 2k8f n SER 4 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2k8f h PRO 5 N 0.00 0.77 -0.53 -1.46 0.11 -1.97 0.94 132.00 129.87 2k8f h PRO 5 Ca -0.30 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.79 2k8f h PRO 5 Cb 1.19 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 2k8f h PRO 5 CO 0.35 0.51 0.35 0.78 -0.21 0.00 0.00 178.00 179.79 2k8f h GLY 6 N 0.80 0.71 1.67 -0.55 0.00 -1.98 1.25 103.07 104.97 2k8f h GLY 6 Ca 0.41 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.38 2k8f h GLY 6 CO -0.18 0.23 -0.72 -0.55 0.00 0.00 0.00 176.54 175.33 2k8f h ASP 7 N 0.65 0.00 0.14 0.19 3.32 -0.14 -2.48 116.42 118.10 2k8f h ASP 7 Ca 0.20 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.07 2k8f h ASP 7 Cb 0.02 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 2k8f h ASP 7 CO -0.05 0.43 -0.69 -1.28 -1.72 0.00 0.00 179.24 175.94 2k8f h SER 8 N 0.00 0.58 -0.34 6.45 0.87 0.37 0.69 113.55 122.16 2k8f h SER 8 Ca -0.04 -0.36 -0.13 0.00 -1.23 0.00 0.00 61.79 60.03 2k8f h SER 8 Cb 1.37 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 2k8f h SER 8 CO 0.05 1.10 -0.26 0.03 -0.53 0.00 0.00 176.83 177.21 2k8f h ARG 9 N 0.35 0.85 -0.13 2.24 3.08 0.14 1.77 114.38 122.68 2k8f h ARG 9 Ca -0.02 -0.37 -0.18 0.00 0.07 0.00 0.00 59.98 59.47 2k8f h ARG 9 Cb 1.26 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.28 2k8f h ARG 9 CO 0.12 1.01 -0.67 0.00 -1.07 0.00 0.00 179.97 179.36 2k8f h ARG 10 N 0.73 0.53 0.00 0.04 2.47 -1.22 -2.29 114.38 114.64 2k8f h ARG 10 Ca 0.09 -0.39 -0.13 0.00 -1.26 0.00 0.00 59.98 58.29 2k8f h ARG 10 Cb 0.80 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.18 2k8f h ARG 10 CO 0.07 1.01 -0.60 -0.07 0.56 0.00 0.00 179.97 180.94 2k8f h LEU 11 N 0.38 0.00 -0.13 3.04 3.38 0.69 -2.01 115.31 120.66 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 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2k8f h LEU 11 CO 0.12 0.60 0.04 -1.28 0.09 0.00 0.00 178.44 178.01 2k8f h SER 12 N 0.00 0.18 0.76 -0.43 0.87 0.30 -2.00 113.55 113.23 2k8f h SER 12 Ca -0.01 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.26 2k8f h SER 12 Cb 1.34 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.24 2k8f h SER 12 CO 0.08 0.33 -0.46 0.16 -0.53 0.00 0.00 176.83 176.41 2k8f h ILE 13 N 0.03 1.08 -0.68 2.23 3.07 -1.42 -2.40 117.51 119.43 2k8f h ILE 13 Ca 0.04 -1.73 -0.02 0.00 1.55 0.00 0.00 64.86 64.70 2k8f h ILE 13 Cb 0.21 2.00 -0.03 0.00 -0.27 0.00 0.00 36.82 38.73 2k8f h ILE 13 CO -0.00 0.45 0.35 -0.61 -1.05 0.00 0.00 178.15 177.29 2k8f h GLN 14 N 0.00 0.96 -0.28 0.16 4.15 -1.01 2.20 115.11 121.29 2k8f h GLN 14 Ca -0.00 -0.13 -0.18 0.00 0.77 0.00 0.00 58.65 59.11 2k8f h GLN 14 Cb 0.97 -0.18 -0.00 0.00 0.21 0.00 0.00 27.48 28.47 2k8f h GLN 14 CO 0.06 0.74 -0.52 0.00 -1.93 0.00 0.00 178.83 177.18 2k8f h ARG 15 N 0.94 0.81 -0.46 1.69 3.08 -1.29 0.82 114.38 119.97 2k8f h ARG 15 Ca 0.24 -0.50 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 2k8f h ARG 15 Cb 0.08 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2k8f h ARG 15 CO -0.03 1.13 -0.21 0.00 -1.07 0.00 0.00 179.97 179.78 2k8f h ALA 16 N 0.77 0.76 -0.21 0.04 0.00 -0.91 -2.29 119.26 117.42 2k8f h ALA 16 Ca 0.02 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2k8f h ALA 16 Cb 1.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2k8f h ALA 16 CO 0.11 0.66 0.04 0.82 0.00 0.00 0.00 179.25 180.89 2k8f h ILE 17 N 0.80 1.22 -0.87 0.00 1.08 0.39 1.49 117.51 121.62 2k8f h ILE 17 Ca 0.11 -0.70 0.19 0.00 -0.39 0.00 0.00 64.86 64.06 2k8f h ILE 17 Cb 0.77 1.28 -0.06 0.00 -3.07 0.00 0.00 36.82 35.74 2k8f h ILE 17 CO 0.06 0.22 0.58 1.56 -0.69 0.00 0.00 178.15 179.88 2k8f h GLN 18 N 0.15 0.41 0.13 2.37 4.20 0.91 1.35 115.11 124.62 2k8f h GLN 18 Ca 0.06 -0.02 -0.33 0.00 0.06 0.00 0.00 58.65 58.42 2k8f h GLN 18 Cb 0.29 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2k8f h GLN 18 CO 0.00 0.27 -1.76 1.03 -0.67 0.00 0.00 178.83 177.70 2k8f h SER 19 N 0.42 0.42 0.02 1.46 0.87 -0.86 -2.32 113.55 113.57 2k8f h SER 19 Ca 0.45 -0.89 -0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2k8f h SER 19 Cb 1.08 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 2k8f h SER 19 CO -0.17 1.77 -0.01 0.25 -0.53 0.00 0.00 176.83 178.15 2k8f h LEU 20 N -0.09 -0.02 -0.33 2.23 5.85 0.31 2.36 115.31 125.62 2k8f h LEU 20 Ca -0.38 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 2k8f h LEU 20 Cb 1.93 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.95 2k8f h LEU 20 CO 0.08 0.12 0.14 0.58 -0.34 0.00 0.00 178.44 179.02 2k8f h VAL 21 N -0.15 1.18 0.00 1.05 2.07 0.16 0.38 116.25 120.94 2k8f h VAL 21 Ca -0.00 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2k8f h VAL 21 Cb 0.14 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2k8f h VAL 21 CO 0.00 0.19 -0.00 -0.74 0.02 0.00 0.00 177.57 177.04 2k8f h HIS 22 N 0.39 -0.00 0.00 1.57 -0.00 -1.23 -1.90 115.15 113.97 2k8f h HIS 22 Ca 0.11 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.45 2k8f h HIS 22 Cb 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.57 2k8f h HIS 22 CO -0.01 0.49 -0.13 0.00 -0.00 0.00 0.00 177.93 178.29 2k8f h ALA 23 N 0.49 1.69 -0.01 5.26 0.00 0.40 2.03 119.26 129.12 2k8f h ALA 23 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k8f h ALA 23 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k8f h ALA 23 CO 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 179.25 179.28 2k8f n ALA 24 N -2.47 2.83 -0.02 0.00 0.00 0.13 -3.85 120.51 117.13 2k8f n ALA 24 Ca -0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 53.44 53.02 2k8f n ALA 24 Cb 0.20 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 -0.50 2.71 -3.40 0.00 1.13 -0.29 -4.05 117.38 112.98 2k8f n GLN 25 Ca 0.15 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.78 2k8f n GLN 25 Cb 0.32 -1.12 -0.01 0.00 0.11 0.00 0.00 30.24 29.54 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 2.67 2.12 -0.18 0.00 3.00 -1.26 -4.45 116.66 118.57 2k8f n ARG 27 Ca 0.23 -1.66 -0.10 0.00 -0.00 0.00 0.00 57.85 56.31 2k8f n ARG 27 Cb 0.39 -1.98 0.01 0.00 0.00 0.00 0.00 32.46 30.88 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 2.74 0.96 0.00 6.15 -0.73 -1.90 -3.47 115.58 119.33 2k8f h ASN 28 Ca 0.29 -0.34 0.00 0.00 1.87 0.00 0.00 56.30 58.12 2k8f h ASN 28 Cb 1.04 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 39.37 2k8f h ASN 28 CO 0.59 1.08 0.00 0.00 -0.37 0.00 0.00 177.43 178.72 2k8f n ALA 29 N -2.48 0.00 -0.11 1.57 0.00 -1.26 -4.70 120.51 113.53 2k8f n ALA 29 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.52 2k8f n ALA 29 Cb 0.38 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.11 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 1.68 3.80 -2.73 0.00 3.02 -1.26 -4.96 115.26 114.80 2k8f n ASN 30 Ca 0.00 -2.34 -0.32 0.00 -0.03 0.00 0.00 54.58 51.89 2k8f n ASN 30 Cb 0.00 -0.51 -0.03 0.00 -0.61 0.00 0.00 39.78 38.63 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 1.12 2.28 -4.38 0.00 3.41 -1.26 -4.72 113.62 110.06 2k8f n SER 32 Ca 0.12 -1.93 -0.44 0.00 -0.26 0.00 0.00 58.87 56.35 2k8f n SER 32 Cb 0.12 -0.25 -0.08 0.00 -0.26 0.00 0.00 64.21 63.74 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 -1.17 5.55 0.47 1.04 1.43 -1.26 -4.94 118.68 119.81 2k8f s LEU 33 Ca 0.31 -1.31 0.32 0.00 -1.03 0.00 0.00 54.13 52.41 2k8f s LEU 33 Cb 0.16 -2.17 1.43 0.00 0.03 0.00 0.00 46.19 45.65 2k8f s LEU 33 CO 0.22 -0.62 1.69 -0.65 0.23 0.00 0.00 176.35 177.22 2k8f h PRO 34 N 8.72 0.12 -0.43 1.29 0.11 -2.00 1.50 132.00 141.30 2k8f h PRO 34 Ca -0.28 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.78 2k8f h PRO 34 Cb 1.11 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 2k8f h PRO 34 CO 0.86 0.08 0.07 0.77 -0.21 0.00 0.00 178.00 179.56 2k8f h SER 35 N 0.12 0.61 0.21 -2.05 0.02 -1.97 -2.00 113.55 108.49 2k8f h SER 35 Ca 0.73 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.56 2k8f h SER 35 Cb 2.44 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.82 2k8f h SER 35 CO -0.24 0.64 -0.10 0.00 -1.14 0.00 0.00 176.83 175.99 2k8f h GLN 37 N -0.76 0.66 -0.00 0.00 4.20 -1.39 1.09 115.11 118.91 2k8f h GLN 37 Ca -0.03 -0.04 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 2k8f h GLN 37 Cb 0.51 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2k8f h GLN 37 CO 0.05 0.44 -0.83 -0.22 -0.67 0.00 0.00 178.83 177.59 2k8f h LYS 38 N 0.68 0.14 -0.03 1.46 3.11 -1.36 -1.71 116.57 118.87 2k8f h LYS 38 Ca 0.50 -0.15 -0.19 0.00 -2.81 0.00 0.00 60.65 58.00 2k8f h LYS 38 Cb 0.85 0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.12 2k8f h LYS 38 CO -0.25 0.89 -0.80 0.52 -2.81 0.00 0.00 179.45 177.00 2k8f h MET 39 N 0.08 0.28 -0.59 1.90 2.86 0.14 -1.76 114.93 117.84 2k8f h MET 39 Ca -0.03 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.27 2k8f h MET 39 Cb 1.44 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 2k8f h MET 39 CO 0.12 0.94 0.08 0.87 1.06 0.00 0.00 176.91 179.99 2k8f h LYS 40 N 0.18 0.99 -0.98 1.72 1.57 0.11 0.73 116.57 120.87 2k8f h LYS 40 Ca -0.04 -0.27 0.16 0.00 -1.87 0.00 0.00 60.65 58.63 2k8f h LYS 40 Cb 1.39 -0.11 -0.10 0.00 0.08 0.00 0.00 32.23 33.49 2k8f h LYS 40 CO 0.13 0.94 0.60 -0.09 -0.57 0.00 0.00 179.45 180.45 2k8f h ARG 41 N 0.89 0.82 -0.08 3.15 2.43 -1.02 2.84 114.38 123.40 2k8f h ARG 41 Ca 0.18 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.24 2k8f h ARG 41 Cb 0.44 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2k8f h ARG 41 CO 0.01 0.54 -0.18 0.28 -1.51 0.00 0.00 179.97 179.11 2k8f h VAL 42 N 0.84 1.41 0.05 0.20 2.07 -0.14 -1.45 116.25 119.23 2k8f h VAL 42 Ca 0.53 -1.50 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 2k8f h VAL 42 Cb 0.70 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 2k8f h VAL 42 CO -0.33 0.43 -0.03 0.58 0.02 0.00 0.00 177.57 178.24 2k8f h VAL 43 N -0.22 1.30 -0.84 2.57 2.07 0.16 0.22 116.25 121.52 2k8f h VAL 43 Ca -0.00 -1.45 0.12 0.00 0.82 0.00 0.00 66.70 66.19 2k8f h VAL 43 Cb 0.78 2.21 -0.06 0.00 -1.52 0.00 0.00 31.29 32.70 2k8f h VAL 43 CO 0.04 0.35 0.54 1.56 0.02 0.00 0.00 177.57 180.08 2k8f h GLN 44 N -0.75 0.67 0.12 1.57 1.08 0.49 -0.05 115.11 118.23 2k8f h GLN 44 Ca -0.01 -0.04 -0.27 0.00 -1.45 0.00 0.00 58.65 56.88 2k8f h GLN 44 Cb 0.62 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2k8f h GLN 44 CO 0.01 0.44 -1.22 1.25 -0.95 0.00 0.00 178.83 178.37 2k8f h HIS 45 N 0.69 0.47 -0.49 2.96 -0.00 -1.26 -3.23 115.15 114.29 2k8f h HIS 45 Ca 0.40 -0.34 0.05 0.00 -0.00 0.00 0.00 60.37 60.48 2k8f h HIS 45 Cb 0.60 -0.02 -0.04 0.00 -0.00 0.00 0.00 27.41 27.95 2k8f h HIS 45 CO -0.00 1.26 0.24 1.15 -0.00 0.00 0.00 177.93 180.58 2k8f h THR 46 N 0.07 0.95 -0.39 6.26 2.02 0.14 -2.69 112.91 119.27 2k8f h THR 46 Ca -0.12 -0.16 -0.14 0.00 0.77 0.00 0.00 66.41 66.75 2k8f h THR 46 Cb 1.95 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 2k8f h THR 46 CO 0.20 0.09 -0.32 0.11 0.37 0.00 0.00 175.52 175.96 2k8f h LYS 47 N 0.47 0.91 -0.32 6.66 1.57 -1.50 -2.86 116.57 121.50 2k8f h LYS 47 Ca 0.22 -0.45 0.09 0.00 -1.87 0.00 0.00 60.65 58.64 2k8f h LYS 47 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2k8f h LYS 47 CO -0.16 1.11 0.74 0.78 -0.57 0.00 0.00 179.45 181.35 2k8f h GLY 48 N 0.72 0.00 -6.52 3.86 0.00 -1.49 -3.34 103.07 96.30 2k8f h GLY 48 Ca 0.07 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.74 2k8f h GLY 48 CO 0.08 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.88 2k8f h LYS 50 N 7.86 0.15 -0.44 0.00 1.79 -1.82 -2.67 116.57 121.44 2k8f h LYS 50 Ca -0.40 -0.26 -0.07 0.00 -2.18 0.00 0.00 60.65 57.74 2k8f h LYS 50 Cb 1.17 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.90 2k8f h LYS 50 CO 0.60 1.03 0.01 -0.09 -1.08 0.00 0.00 179.45 179.92 2k8f h ARG 51 N 0.04 0.77 -0.46 3.15 1.12 -1.94 -2.68 114.38 114.38 2k8f h ARG 51 Ca -0.16 -0.24 -0.09 0.00 -1.11 0.00 0.00 59.98 58.38 2k8f h ARG 51 Cb 1.94 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 31.81 2k8f h ARG 51 CO 0.15 0.84 -0.07 -0.22 -3.11 0.00 0.00 179.97 177.56 2k8f h LYS 52 N 0.62 0.81 0.00 0.20 3.64 -1.89 -1.85 116.57 118.09 2k8f h LYS 52 Ca 0.13 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2k8f h LYS 52 Cb 0.48 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2k8f h LYS 52 CO 0.02 0.86 -0.02 1.15 -2.27 0.00 0.00 179.45 179.19 2k8f h THR 53 N 0.74 0.15 0.00 1.00 2.02 -1.15 0.42 112.91 116.09 2k8f h THR 53 Ca 0.13 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2k8f h THR 53 Cb 0.55 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 2k8f h THR 53 CO 0.03 0.02 0.00 -3.20 0.37 0.00 0.00 175.52 172.74 2k8f n ASN 54 N -3.27 0.00 0.00 4.18 5.15 -0.71 -4.81 115.26 115.80 2k8f n ASN 54 Ca -0.02 -0.50 0.00 0.00 -0.60 0.00 0.00 54.58 53.45 2k8f n ASN 54 Cb 0.14 -0.14 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2k8f n ASN 54 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k8f n GLY 55 N 0.90 0.59 0.29 8.20 0.00 0.14 -4.98 105.19 110.34 2k8f n GLY 55 Ca 0.17 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 1.29 -4.79 -0.02 0.00 -1.34 -3.31 103.07 94.90 2k8f h GLY 56 Ca 0.00 -0.10 -0.56 0.00 0.00 0.00 0.00 47.33 46.67 2k8f h GLY 56 CO 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 176.54 176.34 2k8f h PRO 58 N 5.55 0.00 -0.39 0.00 0.11 -1.95 0.94 132.00 136.26 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 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2k8f h PRO 58 CO 0.69 0.00 0.06 0.82 -0.21 0.00 0.00 178.00 179.36 2k8f h ILE 59 N 0.00 1.24 0.05 4.15 2.04 -1.91 0.30 117.51 123.37 2k8f h ILE 59 Ca 0.43 -0.87 -0.25 0.00 1.00 0.00 0.00 64.86 65.16 2k8f h ILE 59 Cb 1.83 1.05 0.02 0.00 -0.74 0.00 0.00 36.82 38.98 2k8f h ILE 59 CO -0.00 0.30 -1.02 0.00 0.00 0.00 0.00 178.15 177.42 2k8f h LYS 61 N 0.23 0.15 -0.32 0.00 3.64 0.21 0.53 116.57 121.01 2k8f h LYS 61 Ca -0.14 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 2k8f h LYS 61 Cb 1.70 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 2k8f h LYS 61 CO 0.20 0.10 -0.30 1.96 -2.27 0.00 0.00 179.45 179.14 2k8f h GLN 62 N 0.15 0.76 -0.58 1.90 4.20 -0.46 -2.28 115.11 118.79 2k8f h GLN 62 Ca 0.08 -0.40 -0.04 0.00 0.06 0.00 0.00 58.65 58.35 2k8f h GLN 62 Cb 0.05 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2k8f h GLN 62 CO -0.08 1.02 0.21 1.25 -0.67 0.00 0.00 178.83 180.56 2k8f h LEU 63 N 0.53 0.83 -0.66 1.46 5.85 -0.50 0.53 115.31 123.35 2k8f h LEU 63 Ca 0.05 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2k8f h LEU 63 Cb 0.88 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 2k8f h LEU 63 CO 0.08 0.80 0.32 0.40 -0.34 0.00 0.00 178.44 179.69 2k8f h ILE 64 N 0.82 1.22 -0.35 4.05 2.04 0.07 0.92 117.51 126.27 2k8f h ILE 64 Ca 0.19 -0.61 -0.09 0.00 1.00 0.00 0.00 64.86 65.36 2k8f h ILE 64 Cb 0.24 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2k8f h ILE 64 CO -0.01 0.25 -0.11 0.00 0.00 0.00 0.00 178.15 178.28 2k8f h ALA 65 N 1.15 0.49 -0.75 1.87 0.00 -1.03 0.55 119.26 121.55 2k8f h ALA 65 Ca 0.23 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2k8f h ALA 65 Cb 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2k8f h ALA 65 CO -0.03 0.37 0.42 1.25 0.00 0.00 0.00 179.25 181.26 2k8f h LEU 66 N 0.49 0.93 -1.31 0.00 5.85 0.44 0.47 115.31 122.19 2k8f h LEU 66 Ca 0.09 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2k8f h LEU 66 Cb 0.63 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2k8f h LEU 66 CO 0.04 0.75 0.06 0.00 -0.34 0.00 0.00 178.44 178.95 2k8f h ALA 67 N 1.22 1.44 -0.26 1.25 0.00 0.12 -2.30 119.26 120.74 2k8f h ALA 67 Ca 0.27 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2k8f h ALA 67 Cb 0.02 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2k8f h ALA 67 CO -0.04 0.40 0.10 0.00 0.00 0.00 0.00 179.25 179.71 2k8f h ALA 68 N 1.56 0.30 -0.51 0.00 0.00 0.23 1.00 119.26 121.84 2k8f h ALA 68 Ca 0.12 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2k8f h ALA 68 Cb 0.24 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k8f h ALA 68 CO 0.00 -0.31 0.28 1.88 0.00 0.00 0.00 179.25 181.10 2k8f h TYR 69 N 0.23 0.70 -0.08 0.00 0.05 -0.95 -0.91 116.97 116.00 2k8f h TYR 69 Ca 0.11 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 2k8f h TYR 69 Cb 0.07 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 37.59 2k8f h TYR 69 CO -0.12 0.52 -0.05 1.25 -1.05 0.00 0.00 178.16 178.71 2k8f h HIS 70 N 0.68 0.21 0.00 4.88 2.76 -0.93 -2.15 115.15 120.59 2k8f h HIS 70 Ca 0.18 -0.06 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2k8f h HIS 70 Cb 0.05 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 2k8f h HIS 70 CO -0.02 0.57 -0.02 0.00 -1.30 0.00 0.00 177.93 177.16 2k8f h ALA 71 N 0.61 1.41 0.07 5.26 0.00 0.11 0.99 119.26 127.70 2k8f h ALA 71 Ca 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k8f h ALA 71 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k8f h ALA 71 CO 0.01 0.03 -0.03 0.87 0.00 0.00 0.00 179.25 180.13 2k8f h LYS 72 N 0.00 -0.09 -0.90 0.00 1.57 -0.99 -3.30 116.57 112.86 2k8f h LYS 72 Ca -0.00 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 2k8f h LYS 72 Cb 0.06 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 2k8f h LYS 72 CO 0.00 0.47 0.59 1.25 -0.57 0.00 0.00 179.45 181.19 2k8f h HIS 73 N -0.90 1.10 -2.70 -1.35 2.76 -0.93 -3.35 115.15 109.79 2k8f h HIS 73 Ca -0.01 0.03 -0.54 0.00 -2.20 0.00 0.00 60.37 57.65 2k8f h HIS 73 Cb 0.60 -0.37 -0.06 0.00 1.55 0.00 0.00 27.41 29.13 2k8f h HIS 73 CO 0.14 0.65 1.12 0.00 -1.30 0.00 0.00 177.93 178.54 2k8f n GLN 75 N 8.78 1.05 -4.46 0.00 -0.06 -1.26 -4.77 117.38 116.67 2k8f n GLN 75 Ca 0.12 -0.13 -0.30 0.00 -2.00 0.00 0.00 57.00 54.69 2k8f n GLN 75 Cb 0.49 -1.50 -0.12 0.00 -4.06 0.00 0.00 30.24 25.05 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 -2.04 1.81 -1.00 3.69 2.12 -1.26 -5.06 118.70 116.96 2k8f s GLU 76 Ca 0.45 -1.14 -0.22 0.00 0.36 0.00 0.00 54.97 54.42 2k8f s GLU 76 Cb 0.22 -2.10 0.07 0.00 0.26 0.00 0.00 34.13 32.58 2k8f s GLU 76 CO 0.37 0.50 1.38 -0.80 -0.54 0.00 0.00 175.26 176.17 2k8f s ASN 77 N -1.87 6.53 0.19 -1.70 0.01 -1.26 -4.87 114.94 111.98 2k8f s ASN 77 Ca 0.16 -1.60 -0.24 0.00 -0.71 0.00 0.00 52.86 50.47 2k8f s ASN 77 Cb -0.10 -2.53 0.09 0.00 0.41 0.00 0.00 41.25 39.11 2k8f s ASN 77 CO 0.08 -1.40 1.56 0.11 -1.51 0.00 0.00 177.10 175.93 2k8f h LYS 78 N 9.55 -0.09 0.00 -0.60 1.79 -1.94 -3.47 116.57 121.82 2k8f h LYS 78 Ca 0.19 0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2k8f h LYS 78 Cb 1.01 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2k8f h LYS 78 CO 1.36 -0.06 0.00 0.00 -1.08 0.00 0.00 179.45 179.67 2k8f h PRO 80 N 0.00 0.12 -6.29 0.00 0.13 -1.91 -3.43 132.00 120.63 2k8f h PRO 80 Ca 0.00 -0.08 -0.58 0.00 -0.87 0.00 0.00 66.00 64.47 2k8f h PRO 80 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 2k8f h PRO 80 CO 0.00 0.68 1.26 0.08 -0.23 0.00 0.00 178.00 179.79 2k8f s VAL 81 N -3.73 3.50 0.11 1.56 1.01 -1.26 -4.91 120.40 116.69 2k8f s VAL 81 Ca -0.03 0.51 -0.23 0.00 0.00 0.00 0.00 61.98 62.23 2k8f s VAL 81 Cb 0.12 -3.68 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 2k8f s VAL 81 CO 0.78 -0.44 1.69 -0.65 0.00 0.00 0.00 175.10 176.48 2k8f h PRO 82 N 12.72 -0.17 -0.42 2.72 0.11 -1.92 -3.12 132.00 141.92 2k8f h PRO 82 Ca -0.33 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.81 2k8f h PRO 82 Cb 1.16 0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2k8f h PRO 82 CO 1.03 -0.11 0.25 0.74 -0.21 0.00 0.00 178.00 179.70 2k8f h PHE 83 N -0.17 0.47 -0.57 0.65 0.04 -1.98 -1.66 116.94 113.72 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 0.24 -0.15 -0.08 0.00 2.20 0.00 0.00 35.95 38.16 2k8f h PHE 83 CO -0.18 0.27 0.12 0.00 -0.60 0.00 0.00 178.31 177.92 2k8f h LEU 85 N 0.26 0.78 -1.28 0.00 3.38 -1.43 1.12 115.31 118.14 2k8f h LEU 85 Ca 0.29 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2k8f h LEU 85 Cb 0.42 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2k8f h LEU 85 CO -0.37 0.76 -0.03 0.78 0.09 0.00 0.00 178.44 179.67 2k8f h ASN 86 N 0.80 0.42 0.00 -0.43 2.35 0.14 0.11 115.58 118.98 2k8f h ASN 86 Ca 0.18 -0.08 -0.34 0.00 -0.55 0.00 0.00 56.30 55.51 2k8f h ASN 86 Cb 0.29 -0.11 -0.05 0.00 0.05 0.00 0.00 38.32 38.50 2k8f h ASN 86 CO -0.00 0.51 -1.89 -0.38 -1.65 0.00 0.00 177.43 174.02 2k8f n ILE 87 N -4.28 1.53 -0.02 2.81 5.41 -0.06 -3.50 119.36 121.24 2k8f n ILE 87 Ca 0.01 -0.20 -0.17 0.00 1.00 0.00 0.00 62.75 63.39 2k8f n ILE 87 Cb 0.25 -1.98 -0.08 0.00 -0.71 0.00 0.00 39.64 37.11 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 0.65 0.00 0.38 1.79 0.12 -3.28 116.57 115.23 2k8f h LYS 88 Ca -0.51 -0.55 -0.17 0.00 -2.18 0.00 0.00 60.65 57.23 2k8f h LYS 88 Cb 1.43 0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 32.18 2k8f h LYS 88 CO -0.31 1.17 -0.89 0.37 -1.08 0.00 0.00 179.45 178.71 2k8f h GLN 89 N 0.31 0.00 0.00 3.15 4.15 -0.88 -3.49 115.11 118.34 2k8f h GLN 89 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2k8f h GLN 89 Cb 1.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.01 2k8f h GLN 89 CO 0.14 0.72 0.00 1.17 -1.93 0.00 0.00 178.83 178.93