#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 1.24 -0.41 0.00 1.35 -2.09 -3.45 112.91 109.55 2k8f h THR 2 Ca 0.00 -1.02 -0.29 0.00 -0.55 0.00 0.00 66.41 64.55 2k8f h THR 2 Cb 0.00 1.05 0.04 0.00 -1.73 0.00 0.00 68.15 67.50 2k8f h THR 2 CO 0.00 0.34 -0.13 0.00 -0.25 0.00 0.00 175.52 175.48 2k8f n GLN 3 N -4.21 0.00 -3.15 4.72 6.02 -1.26 -4.94 117.38 114.56 2k8f n GLN 3 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.95 2k8f n GLN 3 Cb 0.32 -0.48 0.02 0.00 1.02 0.00 0.00 30.24 31.12 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 0.75 -1.62 -0.11 1.08 2.88 -1.26 -4.96 113.62 110.38 2k8f n SER 4 Ca 0.08 -2.05 0.15 0.00 -1.33 0.00 0.00 58.87 55.72 2k8f n SER 4 Cb 0.08 2.68 0.53 0.00 -0.75 0.00 0.00 64.21 66.74 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 0.34 -0.46 -1.46 0.11 -1.97 1.11 132.00 129.67 2k8f h PRO 5 Ca -0.24 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.89 2k8f h PRO 5 Cb 0.93 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 2k8f h PRO 5 CO 0.31 0.23 0.31 0.78 -0.21 0.00 0.00 178.00 179.41 2k8f h GLY 6 N 0.35 0.56 1.77 -0.55 0.00 -1.96 1.88 103.07 105.12 2k8f h GLY 6 Ca 0.32 -0.19 -0.20 0.00 0.00 0.00 0.00 47.33 47.26 2k8f h GLY 6 CO -0.09 0.16 -1.03 -1.80 0.00 0.00 0.00 176.54 173.79 2k8f h ASP 7 N 0.49 0.00 0.34 0.19 1.82 0.73 -2.43 116.42 117.55 2k8f h ASP 7 Ca 0.19 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.66 2k8f h ASP 7 Cb 0.15 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 2k8f h ASP 7 CO -0.05 0.86 -0.70 -1.28 -1.61 0.00 0.00 179.24 176.46 2k8f h SER 8 N 0.00 0.38 -0.10 2.28 0.87 0.24 0.15 113.55 117.37 2k8f h SER 8 Ca -0.06 -0.25 -0.14 0.00 -1.23 0.00 0.00 61.79 60.11 2k8f h SER 8 Cb 1.71 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.55 2k8f h SER 8 CO 0.10 0.96 -0.40 0.03 -0.53 0.00 0.00 176.83 177.00 2k8f h ARG 9 N 0.22 0.63 -0.15 2.24 3.08 0.28 1.27 114.38 121.95 2k8f h ARG 9 Ca -0.02 -0.32 -0.15 0.00 0.07 0.00 0.00 59.98 59.55 2k8f h ARG 9 Cb 1.26 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.31 2k8f h ARG 9 CO 0.12 0.92 -0.56 0.00 -1.07 0.00 0.00 179.97 179.38 2k8f h ARG 10 N 0.52 0.46 0.00 0.04 2.47 -1.21 -1.87 114.38 114.79 2k8f h ARG 10 Ca 0.04 -0.29 -0.11 0.00 -1.26 0.00 0.00 59.98 58.36 2k8f h ARG 10 Cb 0.92 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.26 2k8f h ARG 10 CO 0.08 0.90 -0.54 -0.07 0.56 0.00 0.00 179.97 180.90 2k8f h LEU 11 N 0.35 0.00 -0.19 3.04 3.38 -0.30 -2.54 115.31 119.06 2k8f h LEU 11 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2k8f h LEU 11 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2k8f h LEU 11 CO 0.10 0.54 -0.02 -1.28 0.09 0.00 0.00 178.44 177.86 2k8f h SER 12 N 0.00 0.35 0.31 -0.43 0.87 0.20 -2.41 113.55 112.44 2k8f h SER 12 Ca -0.01 -0.34 -0.12 0.00 -1.23 0.00 0.00 61.79 60.09 2k8f h SER 12 Cb 1.31 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 2k8f h SER 12 CO 0.07 0.61 -0.48 0.16 -0.53 0.00 0.00 176.83 176.65 2k8f h ILE 13 N 0.08 1.34 -0.94 2.23 3.07 -1.36 -1.48 117.51 120.45 2k8f h ILE 13 Ca 0.05 -1.70 -0.01 0.00 1.55 0.00 0.00 64.86 64.76 2k8f h ILE 13 Cb 0.44 1.82 -0.05 0.00 -0.27 0.00 0.00 36.82 38.77 2k8f h ILE 13 CO 0.01 0.50 0.56 1.56 -1.05 0.00 0.00 178.15 179.74 2k8f h GLN 14 N 0.17 1.29 -0.15 0.16 4.20 -1.32 2.65 115.11 122.10 2k8f h GLN 14 Ca 0.01 -0.12 -0.20 0.00 0.06 0.00 0.00 58.65 58.39 2k8f h GLN 14 Cb 0.92 -0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.44 2k8f h GLN 14 CO 0.07 0.91 -0.72 0.00 -0.67 0.00 0.00 178.83 178.42 2k8f h ARG 15 N 1.31 0.68 -0.40 1.46 3.08 -1.27 0.51 114.38 119.75 2k8f h ARG 15 Ca 0.34 -0.53 -0.14 0.00 0.07 0.00 0.00 59.98 59.72 2k8f h ARG 15 Cb -0.04 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2k8f h ARG 15 CO -0.06 1.15 -0.30 0.00 -1.07 0.00 0.00 179.97 179.68 2k8f h ALA 16 N 0.71 0.71 -0.11 0.04 0.00 -0.57 -2.35 119.26 117.69 2k8f h ALA 16 Ca -0.03 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2k8f h ALA 16 Cb 1.32 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2k8f h ALA 16 CO 0.14 0.66 0.04 0.82 0.00 0.00 0.00 179.25 180.91 2k8f h ILE 17 N 0.74 1.17 -0.94 0.00 1.08 0.48 1.68 117.51 121.72 2k8f h ILE 17 Ca 0.08 -0.53 0.21 0.00 -0.39 0.00 0.00 64.86 64.23 2k8f h ILE 17 Cb 0.86 1.32 -0.08 0.00 -3.07 0.00 0.00 36.82 35.86 2k8f h ILE 17 CO 0.08 0.16 0.61 1.56 -0.69 0.00 0.00 178.15 179.86 2k8f h GLN 18 N -0.00 0.46 0.15 2.37 4.20 0.23 1.67 115.11 124.18 2k8f h GLN 18 Ca 0.04 -0.03 -0.35 0.00 0.06 0.00 0.00 58.65 58.37 2k8f h GLN 18 Cb 0.21 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2k8f h GLN 18 CO -0.00 0.30 -1.82 1.03 -0.67 0.00 0.00 178.83 177.67 2k8f h SER 19 N 0.47 0.48 0.08 1.46 0.87 -0.88 -2.45 113.55 113.58 2k8f h SER 19 Ca 0.50 -0.93 -0.00 0.00 -1.23 0.00 0.00 61.79 60.13 2k8f h SER 19 Cb 1.16 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 2k8f h SER 19 CO -0.22 1.80 -0.04 0.25 -0.53 0.00 0.00 176.83 178.09 2k8f h LEU 20 N 0.01 -0.09 -0.37 2.23 5.85 0.37 2.26 115.31 125.58 2k8f h LEU 20 Ca -0.38 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 2k8f h LEU 20 Cb 2.01 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 43.05 2k8f h LEU 20 CO 0.11 0.09 0.21 0.58 -0.34 0.00 0.00 178.44 179.09 2k8f h VAL 21 N -0.26 1.14 -0.06 1.05 2.07 0.23 0.64 116.25 121.04 2k8f h VAL 21 Ca -0.01 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 2k8f h VAL 21 Cb 0.22 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2k8f h VAL 21 CO 0.02 0.14 -0.02 -0.74 0.02 0.00 0.00 177.57 176.98 2k8f h HIS 22 N 0.47 0.14 0.00 1.57 -0.00 -1.26 -1.36 115.15 114.71 2k8f h HIS 22 Ca 0.13 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 2k8f h HIS 22 Cb 0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 2k8f h HIS 22 CO -0.03 0.48 -0.17 0.00 -0.00 0.00 0.00 177.93 178.21 2k8f h ALA 23 N 0.64 1.49 -0.01 5.26 0.00 0.39 1.79 119.26 128.83 2k8f h ALA 23 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k8f h ALA 23 Cb 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k8f h ALA 23 CO 0.01 0.21 -0.12 0.00 0.00 0.00 0.00 179.25 179.36 2k8f n ALA 24 N -2.41 2.80 -0.02 0.00 0.00 0.22 -4.02 120.51 117.09 2k8f n ALA 24 Ca -0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 53.44 52.96 2k8f n ALA 24 Cb 0.25 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.13 2.28 -3.40 0.00 1.13 -0.53 -3.95 117.38 112.79 2k8f n GLN 25 Ca 0.16 0.01 -0.44 0.00 -1.94 0.00 0.00 57.00 54.79 2k8f n GLN 25 Cb 0.36 -1.08 -0.02 0.00 0.11 0.00 0.00 30.24 29.62 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 2.86 1.78 -0.22 0.00 3.00 -1.26 -4.45 116.66 118.37 2k8f n ARG 27 Ca 0.21 -1.10 -0.07 0.00 -0.00 0.00 0.00 57.85 56.89 2k8f n ARG 27 Cb 0.40 -1.70 0.03 0.00 0.00 0.00 0.00 32.46 31.19 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 2.21 0.82 0.00 6.15 -0.00 -1.91 -3.47 115.58 119.39 2k8f h ASN 28 Ca 0.20 -0.15 0.00 0.00 -0.00 0.00 0.00 56.30 56.34 2k8f h ASN 28 Cb 1.12 -0.21 0.00 0.00 -0.00 0.00 0.00 38.32 39.23 2k8f h ASN 28 CO 0.39 0.75 0.00 0.00 -0.00 0.00 0.00 177.43 178.57 2k8f n ALA 29 N -2.36 0.00 -0.09 1.57 0.00 -1.26 -4.70 120.51 113.67 2k8f n ALA 29 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.56 2k8f n ALA 29 Cb 0.15 0.00 0.28 0.00 0.00 0.00 0.00 19.45 19.88 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 1.63 3.72 -2.68 0.00 3.02 -1.26 -4.97 115.26 114.72 2k8f n ASN 30 Ca 0.00 -2.28 -0.30 0.00 -0.03 0.00 0.00 54.58 51.97 2k8f n ASN 30 Cb 0.00 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.66 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 1.18 2.85 -4.35 0.00 3.41 -1.26 -4.75 113.62 110.70 2k8f n SER 32 Ca 0.11 -1.97 -0.44 0.00 -0.26 0.00 0.00 58.87 56.32 2k8f n SER 32 Cb 0.14 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 63.69 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 -1.13 5.66 0.54 1.04 1.43 -1.26 -4.94 118.68 120.03 2k8f s LEU 33 Ca 0.36 -1.47 0.42 0.00 -1.03 0.00 0.00 54.13 52.41 2k8f s LEU 33 Cb 0.19 -2.15 1.62 0.00 0.03 0.00 0.00 46.19 45.88 2k8f s LEU 33 CO 0.26 -0.67 1.70 -0.65 0.23 0.00 0.00 176.35 177.21 2k8f h PRO 34 N 8.71 0.01 -0.26 1.29 0.11 -2.00 1.69 132.00 141.55 2k8f h PRO 34 Ca -0.28 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 2k8f h PRO 34 Cb 1.10 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2k8f h PRO 34 CO 0.89 0.01 -0.20 0.77 -0.21 0.00 0.00 178.00 179.26 2k8f h SER 35 N 0.02 0.47 0.27 -2.05 0.02 -1.97 -2.24 113.55 108.06 2k8f h SER 35 Ca 0.74 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.53 2k8f h SER 35 Cb 2.90 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 65.32 2k8f h SER 35 CO -0.04 0.68 -0.13 0.00 -1.14 0.00 0.00 176.83 176.20 2k8f h GLN 37 N -0.91 0.46 0.01 0.00 4.20 -1.47 1.27 115.11 118.66 2k8f h GLN 37 Ca -0.04 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.45 2k8f h GLN 37 Cb 0.50 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2k8f h GLN 37 CO 0.06 0.30 -0.89 -0.22 -0.67 0.00 0.00 178.83 177.41 2k8f h LYS 38 N 0.47 0.07 -0.00 1.46 3.11 -1.41 -1.60 116.57 118.67 2k8f h LYS 38 Ca 0.54 -0.09 -0.20 0.00 -2.81 0.00 0.00 60.65 58.09 2k8f h LYS 38 Cb 1.25 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.50 2k8f h LYS 38 CO -0.26 0.92 -0.88 0.52 -2.81 0.00 0.00 179.45 176.94 2k8f h MET 39 N 0.04 0.23 -0.52 1.90 2.86 0.17 -1.95 114.93 117.65 2k8f h MET 39 Ca -0.03 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.29 2k8f h MET 39 Cb 1.56 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 33.27 2k8f h MET 39 CO 0.12 0.97 0.00 0.87 1.06 0.00 0.00 176.91 179.93 2k8f h LYS 40 N 0.13 0.92 -0.91 1.72 1.57 0.13 0.75 116.57 120.87 2k8f h LYS 40 Ca -0.05 -0.29 0.15 0.00 -1.87 0.00 0.00 60.65 58.59 2k8f h LYS 40 Cb 1.50 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.65 2k8f h LYS 40 CO 0.14 0.94 0.59 -0.09 -0.57 0.00 0.00 179.45 180.45 2k8f h ARG 41 N 0.79 0.68 -0.01 3.15 2.43 -1.09 3.09 114.38 123.41 2k8f h ARG 41 Ca 0.15 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2k8f h ARG 41 Cb 0.52 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2k8f h ARG 41 CO 0.03 0.45 -0.19 0.28 -1.51 0.00 0.00 179.97 179.02 2k8f h VAL 42 N 0.70 1.53 0.07 0.20 2.07 -0.35 -1.88 116.25 118.58 2k8f h VAL 42 Ca 0.47 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.17 2k8f h VAL 42 Cb 0.76 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 2k8f h VAL 42 CO -0.22 0.49 -0.03 0.58 0.02 0.00 0.00 177.57 178.41 2k8f h VAL 43 N -0.49 1.23 -0.77 2.57 2.07 0.16 0.25 116.25 121.26 2k8f h VAL 43 Ca -0.02 -1.37 0.13 0.00 0.82 0.00 0.00 66.70 66.26 2k8f h VAL 43 Cb 0.91 2.07 -0.05 0.00 -1.52 0.00 0.00 31.29 32.70 2k8f h VAL 43 CO 0.04 0.32 0.51 1.56 0.02 0.00 0.00 177.57 180.02 2k8f h GLN 44 N -0.75 0.52 0.01 1.57 1.08 0.54 0.72 115.11 118.80 2k8f h GLN 44 Ca -0.01 -0.03 -0.26 0.00 -1.45 0.00 0.00 58.65 56.89 2k8f h GLN 44 Cb 0.60 -0.12 0.02 0.00 -0.05 0.00 0.00 27.48 27.93 2k8f h GLN 44 CO 0.02 0.34 -1.05 1.25 -0.95 0.00 0.00 178.83 178.44 2k8f h HIS 45 N 0.54 0.99 -0.89 2.96 -0.00 -1.29 -3.03 115.15 114.42 2k8f h HIS 45 Ca 0.37 -0.55 0.18 0.00 -0.00 0.00 0.00 60.37 60.38 2k8f h HIS 45 Cb 0.70 -0.11 -0.11 0.00 -0.00 0.00 0.00 27.41 27.89 2k8f h HIS 45 CO -0.00 1.38 0.45 1.15 -0.00 0.00 0.00 177.93 180.91 2k8f h THR 46 N 0.37 0.62 0.02 6.26 2.02 0.19 -1.77 112.91 120.62 2k8f h THR 46 Ca -0.13 -0.19 -0.18 0.00 0.77 0.00 0.00 66.41 66.69 2k8f h THR 46 Cb 1.70 0.02 0.02 0.00 -1.74 0.00 0.00 68.15 68.15 2k8f h THR 46 CO 0.20 0.10 -0.70 0.11 0.37 0.00 0.00 175.52 175.61 2k8f h LYS 47 N 0.55 0.44 -0.27 6.66 1.57 -1.49 -3.19 116.57 120.84 2k8f h LYS 47 Ca 0.52 -0.50 0.08 0.00 -1.87 0.00 0.00 60.65 58.88 2k8f h LYS 47 Cb 0.87 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2k8f h LYS 47 CO -0.43 1.15 0.79 0.78 -0.57 0.00 0.00 179.45 181.17 2k8f h GLY 48 N -0.07 0.00 -5.84 3.86 0.00 -1.20 -3.35 103.07 96.48 2k8f h GLY 48 Ca -0.09 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.58 2k8f h GLY 48 CO 0.14 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.93 2k8f h LYS 50 N 6.97 0.06 -0.24 0.00 1.79 -1.83 -2.64 116.57 120.67 2k8f h LYS 50 Ca -0.29 -0.10 -0.15 0.00 -2.18 0.00 0.00 60.65 57.93 2k8f h LYS 50 Cb 1.20 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2k8f h LYS 50 CO 0.57 0.77 -0.45 -0.09 -1.08 0.00 0.00 179.45 179.17 2k8f h ARG 51 N 0.02 0.73 -0.29 3.15 1.12 -1.94 -2.94 114.38 114.23 2k8f h ARG 51 Ca -0.21 -0.47 -0.15 0.00 -1.11 0.00 0.00 59.98 58.04 2k8f h ARG 51 Cb 1.95 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 31.96 2k8f h ARG 51 CO 0.11 1.09 -0.43 -0.22 -3.11 0.00 0.00 179.97 177.41 2k8f h LYS 52 N 0.45 0.72 -0.72 0.20 3.64 -1.88 -2.57 116.57 116.42 2k8f h LYS 52 Ca 0.01 -0.39 0.05 0.00 -1.27 0.00 0.00 60.65 59.05 2k8f h LYS 52 Cb 1.06 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.85 2k8f h LYS 52 CO 0.10 1.01 0.47 1.15 -2.27 0.00 0.00 179.45 179.91 2k8f h THR 53 N 0.58 1.06 0.00 1.00 2.02 -1.44 0.50 112.91 116.64 2k8f h THR 53 Ca 0.04 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2k8f h THR 53 Cb 0.97 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.57 2k8f h THR 53 CO 0.09 0.15 0.00 0.59 0.37 0.00 0.00 175.52 176.72 2k8f n ASN 54 N -4.47 0.00 0.00 4.18 3.02 -1.11 -4.73 115.26 112.16 2k8f n ASN 54 Ca 0.10 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2k8f n ASN 54 Cb 0.17 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 2k8f n ASN 54 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k8f n GLY 55 N -0.53 0.57 0.36 7.41 0.00 0.17 -4.97 105.19 108.19 2k8f n GLY 55 Ca 0.05 0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.30 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 1.87 -4.84 -0.02 0.00 -1.20 -3.23 103.07 95.65 2k8f h GLY 56 Ca 0.00 -0.24 -0.57 0.00 0.00 0.00 0.00 47.33 46.51 2k8f h GLY 56 CO 0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 176.54 176.13 2k8f h PRO 58 N 5.24 0.00 -0.25 0.00 0.11 -1.95 0.98 132.00 136.13 2k8f h PRO 58 Ca -0.47 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.57 2k8f h PRO 58 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2k8f h PRO 58 CO 0.67 0.00 -0.12 0.82 -0.21 0.00 0.00 178.00 179.16 2k8f h ILE 59 N 0.00 1.30 0.04 4.15 2.04 -1.92 0.46 117.51 123.59 2k8f h ILE 59 Ca 0.38 -1.20 -0.27 0.00 1.00 0.00 0.00 64.86 64.77 2k8f h ILE 59 Cb 1.67 1.55 0.02 0.00 -0.74 0.00 0.00 36.82 39.33 2k8f h ILE 59 CO -0.00 0.37 -1.09 0.00 0.00 0.00 0.00 178.15 177.43 2k8f h LYS 61 N 0.31 0.39 -0.38 0.00 3.64 0.72 0.59 116.57 121.85 2k8f h LYS 61 Ca -0.15 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.09 2k8f h LYS 61 Cb 1.75 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.48 2k8f h LYS 61 CO 0.21 0.27 -0.22 0.37 -2.27 0.00 0.00 179.45 177.81 2k8f h GLN 62 N 0.40 0.81 -0.43 1.90 4.15 -0.09 -2.19 115.11 119.66 2k8f h GLN 62 Ca 0.11 -0.37 -0.03 0.00 0.77 0.00 0.00 58.65 59.13 2k8f h GLN 62 Cb -0.03 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.62 2k8f h GLN 62 CO -0.02 1.00 0.16 1.25 -1.93 0.00 0.00 178.83 179.29 2k8f h LEU 63 N 0.61 0.61 -1.11 -2.39 5.85 0.01 0.58 115.31 119.48 2k8f h LEU 63 Ca 0.08 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2k8f h LEU 63 Cb 0.78 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2k8f h LEU 63 CO 0.06 0.63 0.60 0.40 -0.34 0.00 0.00 178.44 179.79 2k8f h ILE 64 N 0.56 1.19 -0.07 4.05 2.04 0.22 1.03 117.51 126.52 2k8f h ILE 64 Ca 0.14 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 2k8f h ILE 64 Cb 0.22 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.20 2k8f h ILE 64 CO -0.01 0.22 -0.08 0.00 0.00 0.00 0.00 178.15 178.28 2k8f h ALA 65 N 1.45 0.10 -0.96 1.87 0.00 -0.81 0.33 119.26 121.24 2k8f h ALA 65 Ca 0.35 -0.29 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2k8f h ALA 65 Cb -0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.66 2k8f h ALA 65 CO -0.10 -0.07 0.62 1.25 0.00 0.00 0.00 179.25 180.96 2k8f h LEU 66 N -0.26 1.02 -1.13 0.00 5.85 0.70 0.27 115.31 121.75 2k8f h LEU 66 Ca 0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 2k8f h LEU 66 Cb 0.60 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2k8f h LEU 66 CO 0.02 0.67 0.02 0.00 -0.34 0.00 0.00 178.44 178.81 2k8f h ALA 67 N 1.42 1.29 -0.41 1.25 0.00 0.13 -2.46 119.26 120.47 2k8f h ALA 67 Ca 0.40 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2k8f h ALA 67 Cb 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 2k8f h ALA 67 CO -0.15 0.48 0.12 0.00 0.00 0.00 0.00 179.25 179.71 2k8f h ALA 68 N 1.43 0.48 -0.59 0.00 0.00 0.33 1.28 119.26 122.18 2k8f h ALA 68 Ca 0.13 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2k8f h ALA 68 Cb 0.35 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2k8f h ALA 68 CO 0.01 -0.27 0.31 1.88 0.00 0.00 0.00 179.25 181.18 2k8f h TYR 69 N 0.27 0.83 -0.10 0.00 0.05 -1.01 -0.76 116.97 116.25 2k8f h TYR 69 Ca 0.20 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.91 2k8f h TYR 69 Cb 0.21 -0.26 -0.00 0.00 1.01 0.00 0.00 36.73 37.68 2k8f h TYR 69 CO -0.17 0.61 -0.08 1.25 -1.05 0.00 0.00 178.16 178.72 2k8f h HIS 70 N 0.81 0.26 0.00 4.88 2.76 -0.87 -1.83 115.15 121.15 2k8f h HIS 70 Ca 0.21 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2k8f h HIS 70 Cb 0.07 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 28.97 2k8f h HIS 70 CO -0.01 0.62 0.00 0.00 -1.30 0.00 0.00 177.93 177.25 2k8f h ALA 71 N 0.60 1.00 0.00 5.26 0.00 0.17 0.13 119.26 126.41 2k8f h ALA 71 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2k8f h ALA 71 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k8f h ALA 71 CO 0.02 0.00 -0.16 0.87 0.00 0.00 0.00 179.25 179.98 2k8f h LYS 72 N 0.00 0.00 -0.95 0.00 1.57 -0.95 -3.36 116.57 112.88 2k8f h LYS 72 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 2k8f h LYS 72 Cb 0.15 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.38 2k8f h LYS 72 CO 0.00 0.00 0.60 1.25 -0.57 0.00 0.00 179.45 180.73 2k8f h HIS 73 N -0.89 0.96 -2.78 -1.35 2.76 -1.22 -3.33 115.15 109.31 2k8f h HIS 73 Ca 0.00 0.03 -0.54 0.00 -2.20 0.00 0.00 60.37 57.65 2k8f h HIS 73 Cb 0.16 -0.30 -0.07 0.00 1.55 0.00 0.00 27.41 28.75 2k8f h HIS 73 CO -0.07 0.35 1.07 0.00 -1.30 0.00 0.00 177.93 177.98 2k8f n GLN 75 N 8.79 0.85 -5.01 0.00 1.13 -1.25 -4.72 117.38 117.16 2k8f n GLN 75 Ca 0.10 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.84 2k8f n GLN 75 Cb 0.49 -1.50 -0.14 0.00 0.11 0.00 0.00 30.24 29.20 2k8f n GLN 75 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2k8f s GLU 76 N -2.09 2.37 -1.02 -1.09 2.12 -1.26 -5.05 118.70 112.68 2k8f s GLU 76 Ca 0.42 -0.78 -0.23 0.00 0.36 0.00 0.00 54.97 54.74 2k8f s GLU 76 Cb 0.20 -2.27 0.05 0.00 0.26 0.00 0.00 34.13 32.37 2k8f s GLU 76 CO 0.36 0.60 1.48 1.21 -0.54 0.00 0.00 175.26 178.37 2k8f s ASN 77 N -0.72 6.44 0.07 -1.70 3.84 -1.26 -4.87 114.94 116.74 2k8f s ASN 77 Ca 0.11 -1.43 -0.13 0.00 0.21 0.00 0.00 52.86 51.62 2k8f s ASN 77 Cb -0.10 -2.57 -0.03 0.00 -0.55 0.00 0.00 41.25 38.00 2k8f s ASN 77 CO 0.00 -1.57 0.96 0.29 -2.79 0.00 0.00 177.10 174.00 2k8f n LYS 78 N 8.88 -0.19 0.00 0.43 4.76 -1.26 -4.89 118.16 125.89 2k8f n LYS 78 Ca 0.34 0.95 0.00 0.00 -2.87 0.00 0.00 58.31 56.73 2k8f n LYS 78 Cb 0.51 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.29 2k8f n LYS 78 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k8f h PRO 80 N 0.00 0.98 -5.99 0.00 0.13 -1.90 -3.41 132.00 121.81 2k8f h PRO 80 Ca 0.00 -0.21 -0.58 0.00 -0.87 0.00 0.00 66.00 64.34 2k8f h PRO 80 Cb 0.00 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 30.98 2k8f h PRO 80 CO 0.00 0.86 1.48 0.08 -0.23 0.00 0.00 178.00 180.19 2k8f s VAL 81 N -5.29 3.05 0.12 1.56 1.01 -1.25 -4.88 120.40 114.71 2k8f s VAL 81 Ca -0.11 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 61.68 2k8f s VAL 81 Cb 0.15 -3.07 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 2k8f s VAL 81 CO 0.82 -0.05 1.66 -0.65 0.00 0.00 0.00 175.10 176.88 2k8f h PRO 82 N 15.19 -0.28 -0.57 2.72 0.11 -1.92 -3.02 132.00 144.24 2k8f h PRO 82 Ca -0.39 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.78 2k8f h PRO 82 Cb 1.23 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 2k8f h PRO 82 CO 0.98 -0.19 0.32 0.74 -0.21 0.00 0.00 178.00 179.64 2k8f h PHE 83 N -0.29 0.59 -0.62 0.65 0.04 -1.96 -2.18 116.94 113.16 2k8f h PHE 83 Ca 0.06 0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.96 2k8f h PHE 83 Cb 0.38 -0.18 -0.08 0.00 2.20 0.00 0.00 35.95 38.26 2k8f h PHE 83 CO -0.24 0.31 0.17 0.00 -0.60 0.00 0.00 178.31 177.95 2k8f h LEU 85 N 0.31 0.74 -0.92 0.00 3.38 -1.34 1.61 115.31 119.10 2k8f h LEU 85 Ca 0.33 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 2k8f h LEU 85 Cb 0.47 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2k8f h LEU 85 CO -0.38 0.58 -0.53 0.78 0.09 0.00 0.00 178.44 178.98 2k8f h ASN 86 N 0.85 0.02 0.00 -0.43 2.35 0.14 -2.04 115.58 116.48 2k8f h ASN 86 Ca 0.22 -0.01 -0.39 0.00 -0.55 0.00 0.00 56.30 55.57 2k8f h ASN 86 Cb -0.01 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.30 2k8f h ASN 86 CO -0.04 0.55 -2.16 -0.38 -1.65 0.00 0.00 177.43 173.76 2k8f n ILE 87 N -3.91 1.54 -0.04 2.81 5.41 0.71 -3.34 119.36 122.54 2k8f n ILE 87 Ca -0.01 -0.30 -0.14 0.00 1.00 0.00 0.00 62.75 63.30 2k8f n ILE 87 Cb 0.55 -1.90 -0.09 0.00 -0.71 0.00 0.00 39.64 37.49 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 -0.91 0.25 0.00 0.38 1.79 0.22 -3.26 116.57 115.05 2k8f h LYS 88 Ca -0.59 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 57.72 2k8f h LYS 88 Cb 1.56 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.23 2k8f h LYS 88 CO -0.33 0.74 -0.56 1.96 -1.08 0.00 0.00 179.45 180.18 2k8f h GLN 89 N -0.21 0.00 0.00 3.15 4.20 -1.45 -3.50 115.11 117.30 2k8f h GLN 89 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k8f h GLN 89 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.51 2k8f h GLN 89 CO 0.03 0.00 0.00 1.17 -0.67 0.00 0.00 178.83 179.36