#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 -2.80 0.00 1.35 -2.08 -3.42 112.91 107.20 2k8f h THR 2 Ca 0.00 -0.72 -0.65 0.00 -0.55 0.00 0.00 66.41 64.50 2k8f h THR 2 Cb 0.00 0.52 -0.07 0.00 -1.73 0.00 0.00 68.15 66.87 2k8f h THR 2 CO 0.00 0.28 -0.38 -1.10 -0.25 0.00 0.00 175.52 174.07 2k8f s GLN 3 N -5.57 3.64 0.10 4.72 -0.21 -1.26 -4.85 119.66 116.23 2k8f s GLN 3 Ca -0.13 0.06 -0.13 0.00 0.02 0.00 0.00 55.36 55.18 2k8f s GLN 3 Cb 0.13 -3.21 0.05 0.00 1.00 0.00 0.00 33.01 30.98 2k8f s GLN 3 CO 0.80 0.73 0.62 -1.13 -2.12 0.00 0.00 175.29 174.19 2k8f n SER 4 N 2.00 -1.00 -0.09 5.90 3.41 -1.26 -4.95 113.62 117.62 2k8f n SER 4 Ca -0.18 -1.50 0.15 0.00 -0.26 0.00 0.00 58.87 57.08 2k8f n SER 4 Cb 0.54 1.62 0.55 0.00 -0.26 0.00 0.00 64.21 66.66 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 0.30 -0.31 4.33 0.11 -1.97 1.17 132.00 135.63 2k8f h PRO 5 Ca -0.16 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.96 2k8f h PRO 5 Cb 0.71 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.73 2k8f h PRO 5 CO 0.21 0.20 0.21 0.78 -0.21 0.00 0.00 178.00 179.19 2k8f h GLY 6 N 0.31 0.37 1.80 -0.55 0.00 -1.97 1.10 103.07 104.13 2k8f h GLY 6 Ca 0.31 -0.13 -0.22 0.00 0.00 0.00 0.00 47.33 47.28 2k8f h GLY 6 CO -0.08 0.12 -1.13 -1.80 0.00 0.00 0.00 176.54 173.65 2k8f h ASP 7 N 0.34 0.00 -0.05 0.19 3.58 0.96 -2.28 116.42 119.15 2k8f h ASP 7 Ca 0.12 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.41 2k8f h ASP 7 Cb 0.08 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 2k8f h ASP 7 CO -0.03 1.00 -0.55 0.28 -2.88 0.00 0.00 179.24 177.06 2k8f h SER 8 N 0.00 0.71 -0.43 2.28 0.02 0.15 0.56 113.55 116.84 2k8f h SER 8 Ca -0.06 -0.38 -0.10 0.00 -0.84 0.00 0.00 61.79 60.41 2k8f h SER 8 Cb 1.81 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 64.13 2k8f h SER 8 CO 0.12 1.12 -0.09 0.03 -1.14 0.00 0.00 176.83 176.87 2k8f h ARG 9 N 0.49 0.89 -0.28 3.45 3.08 0.11 1.78 114.38 123.90 2k8f h ARG 9 Ca 0.01 -0.30 -0.16 0.00 0.07 0.00 0.00 59.98 59.61 2k8f h ARG 9 Cb 1.11 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 2k8f h ARG 9 CO 0.11 0.93 -0.46 0.00 -1.07 0.00 0.00 179.97 179.49 2k8f h ARG 10 N 0.80 0.72 -0.01 0.04 2.47 -1.09 -1.85 114.38 115.45 2k8f h ARG 10 Ca 0.14 -0.41 -0.14 0.00 -1.26 0.00 0.00 59.98 58.31 2k8f h ARG 10 Cb 0.60 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.93 2k8f h ARG 10 CO 0.04 1.03 -0.64 -0.07 0.56 0.00 0.00 179.97 180.88 2k8f h LEU 11 N 0.58 0.06 -0.40 3.04 3.38 0.70 -2.24 115.31 120.43 2k8f h LEU 11 Ca 0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k8f h LEU 11 Cb 1.02 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2k8f h LEU 11 CO 0.10 0.69 0.19 -1.28 0.09 0.00 0.00 178.44 178.23 2k8f h SER 12 N 0.04 0.53 0.70 -0.43 0.87 0.31 -1.95 113.55 113.61 2k8f h SER 12 Ca -0.01 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.32 2k8f h SER 12 Cb 1.14 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 2k8f h SER 12 CO 0.09 0.51 -0.50 0.16 -0.53 0.00 0.00 176.83 176.56 2k8f h ILE 13 N 0.51 1.19 -0.61 2.23 3.07 -1.25 -1.94 117.51 120.71 2k8f h ILE 13 Ca 0.14 -1.80 -0.04 0.00 1.55 0.00 0.00 64.86 64.70 2k8f h ILE 13 Cb 0.12 2.02 -0.03 0.00 -0.27 0.00 0.00 36.82 38.66 2k8f h ILE 13 CO -0.02 0.49 0.22 1.56 -1.05 0.00 0.00 178.15 179.35 2k8f h GLN 14 N 0.00 0.94 -0.34 0.16 4.20 -0.95 2.18 115.11 121.30 2k8f h GLN 14 Ca -0.00 -0.18 -0.15 0.00 0.06 0.00 0.00 58.65 58.37 2k8f h GLN 14 Cb 0.98 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 2k8f h GLN 14 CO 0.06 0.81 -0.38 0.00 -0.67 0.00 0.00 178.83 178.65 2k8f h ARG 15 N 0.87 0.81 -0.37 1.46 3.08 -1.26 1.07 114.38 120.04 2k8f h ARG 15 Ca 0.20 -0.42 -0.12 0.00 0.07 0.00 0.00 59.98 59.72 2k8f h ARG 15 Cb 0.24 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2k8f h ARG 15 CO -0.01 1.05 -0.22 0.00 -1.07 0.00 0.00 179.97 179.72 2k8f h ALA 16 N 0.90 0.52 -0.24 0.04 0.00 -0.84 -2.23 119.26 117.40 2k8f h ALA 16 Ca 0.06 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2k8f h ALA 16 Cb 0.94 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2k8f h ALA 16 CO 0.09 0.49 0.09 0.82 0.00 0.00 0.00 179.25 180.74 2k8f h ILE 17 N 0.59 1.18 -0.84 0.00 1.08 0.39 1.78 117.51 121.68 2k8f h ILE 17 Ca 0.08 -0.55 0.18 0.00 -0.39 0.00 0.00 64.86 64.18 2k8f h ILE 17 Cb 0.78 1.08 -0.06 0.00 -3.07 0.00 0.00 36.82 35.55 2k8f h ILE 17 CO 0.06 0.18 0.56 1.56 -0.69 0.00 0.00 178.15 179.82 2k8f h GLN 18 N 0.24 0.41 0.12 2.37 4.20 0.14 1.51 115.11 124.10 2k8f h GLN 18 Ca 0.08 -0.02 -0.33 0.00 0.06 0.00 0.00 58.65 58.43 2k8f h GLN 18 Cb 0.20 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2k8f h GLN 18 CO -0.01 0.27 -1.78 1.03 -0.67 0.00 0.00 178.83 177.68 2k8f h SER 19 N 0.42 0.40 0.21 1.46 0.87 -0.74 -2.36 113.55 113.80 2k8f h SER 19 Ca 0.43 -0.88 -0.01 0.00 -1.23 0.00 0.00 61.79 60.09 2k8f h SER 19 Cb 1.02 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.86 2k8f h SER 19 CO -0.15 1.77 -0.10 0.25 -0.53 0.00 0.00 176.83 178.07 2k8f h LEU 20 N -0.11 -0.24 -0.43 2.23 5.85 0.36 2.45 115.31 125.42 2k8f h LEU 20 Ca -0.38 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.17 2k8f h LEU 20 Cb 1.92 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.99 2k8f h LEU 20 CO 0.06 -0.00 0.15 0.58 -0.34 0.00 0.00 178.44 178.89 2k8f h VAL 21 N -0.47 1.21 0.10 1.05 2.07 0.19 0.22 116.25 120.63 2k8f h VAL 21 Ca -0.03 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.79 2k8f h VAL 21 Cb 0.36 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2k8f h VAL 21 CO 0.05 0.25 -0.05 -0.74 0.02 0.00 0.00 177.57 177.10 2k8f h HIS 22 N 0.56 -0.13 0.00 1.57 -0.00 -1.30 -1.92 115.15 113.92 2k8f h HIS 22 Ca 0.14 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 2k8f h HIS 22 Cb 0.24 0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.69 2k8f h HIS 22 CO 0.01 0.32 -0.12 0.00 -0.00 0.00 0.00 177.93 178.14 2k8f h ALA 23 N 0.15 1.35 0.00 5.26 0.00 0.42 1.99 119.26 128.42 2k8f h ALA 23 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2k8f h ALA 23 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k8f h ALA 23 CO 0.02 0.15 -0.75 0.00 0.00 0.00 0.00 179.25 178.67 2k8f n ALA 24 N -2.31 3.22 -0.05 0.00 0.00 0.78 -4.10 120.51 118.06 2k8f n ALA 24 Ca -0.02 -0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.05 2k8f n ALA 24 Cb 0.23 -1.09 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.94 1.82 -3.39 0.00 1.13 -0.70 -3.91 117.38 110.39 2k8f n GLN 25 Ca 0.03 -0.02 -0.44 0.00 -1.94 0.00 0.00 57.00 54.63 2k8f n GLN 25 Cb 0.42 -1.31 -0.01 0.00 0.11 0.00 0.00 30.24 29.45 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 2.71 3.59 -0.05 0.00 3.00 -1.26 -4.50 116.66 120.15 2k8f n ARG 27 Ca 0.23 -2.50 -0.15 0.00 -0.00 0.00 0.00 57.85 55.43 2k8f n ARG 27 Cb 0.39 -2.53 -0.07 0.00 0.00 0.00 0.00 32.46 30.25 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 4.27 0.55 0.00 6.15 -0.73 -1.91 -3.48 115.58 120.44 2k8f h ASN 28 Ca 0.65 -0.57 0.00 0.00 1.87 0.00 0.00 56.30 58.24 2k8f h ASN 28 Cb 0.53 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.97 2k8f h ASN 28 CO 1.32 1.02 0.00 0.00 -0.37 0.00 0.00 177.43 179.39 2k8f n ALA 29 N -2.50 0.00 -0.05 1.57 0.00 -1.26 -4.73 120.51 113.53 2k8f n ALA 29 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.45 2k8f n ALA 29 Cb 0.50 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.22 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 1.40 3.65 -2.71 0.00 3.02 -1.26 -4.99 115.26 114.37 2k8f n ASN 30 Ca 0.00 -2.27 -0.35 0.00 -0.03 0.00 0.00 54.58 51.93 2k8f n ASN 30 Cb 0.00 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 38.65 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 0.96 1.60 -4.33 0.00 3.41 -1.26 -4.70 113.62 109.30 2k8f n SER 32 Ca 0.12 -1.90 -0.44 0.00 -0.26 0.00 0.00 58.87 56.39 2k8f n SER 32 Cb 0.07 -0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 63.78 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 -1.18 5.81 0.49 1.04 1.43 -1.26 -4.93 118.68 120.08 2k8f s LEU 33 Ca 0.24 -1.58 0.34 0.00 -1.03 0.00 0.00 54.13 52.10 2k8f s LEU 33 Cb 0.13 -2.16 1.46 0.00 0.03 0.00 0.00 46.19 45.65 2k8f s LEU 33 CO 0.18 -0.73 1.70 -0.65 0.23 0.00 0.00 176.35 177.08 2k8f h PRO 34 N 8.75 0.10 -0.58 1.29 0.11 -2.00 1.81 132.00 141.47 2k8f h PRO 34 Ca -0.28 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 2k8f h PRO 34 Cb 1.10 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2k8f h PRO 34 CO 0.93 0.07 0.29 0.77 -0.21 0.00 0.00 178.00 179.85 2k8f h SER 35 N 0.10 0.73 0.13 -2.05 0.02 -1.96 -1.94 113.55 108.59 2k8f h SER 35 Ca 0.71 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.59 2k8f h SER 35 Cb 2.49 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.84 2k8f h SER 35 CO -0.18 0.62 -0.06 0.00 -1.14 0.00 0.00 176.83 176.06 2k8f h GLN 37 N -0.56 0.85 -0.07 0.00 4.20 -1.30 1.25 115.11 119.48 2k8f h GLN 37 Ca -0.02 -0.05 -0.16 0.00 0.06 0.00 0.00 58.65 58.48 2k8f h GLN 37 Cb 0.44 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 2k8f h GLN 37 CO 0.03 0.56 -0.67 -0.22 -0.67 0.00 0.00 178.83 177.86 2k8f h LYS 38 N 0.87 0.29 -0.06 1.46 3.11 -1.31 -1.19 116.57 119.74 2k8f h LYS 38 Ca 0.52 -0.22 -0.19 0.00 -2.81 0.00 0.00 60.65 57.94 2k8f h LYS 38 Cb 0.63 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.90 2k8f h LYS 38 CO -0.31 0.86 -0.77 0.52 -2.81 0.00 0.00 179.45 176.93 2k8f h MET 39 N 0.20 0.37 -0.59 1.90 2.86 0.17 -1.80 114.93 118.06 2k8f h MET 39 Ca -0.02 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.26 2k8f h MET 39 Cb 1.22 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 2k8f h MET 39 CO 0.11 0.98 0.22 0.87 1.06 0.00 0.00 176.91 180.15 2k8f h LYS 40 N 0.24 0.89 -0.85 1.72 1.57 0.15 0.77 116.57 121.06 2k8f h LYS 40 Ca -0.04 -0.17 0.17 0.00 -1.87 0.00 0.00 60.65 58.74 2k8f h LYS 40 Cb 1.36 -0.14 -0.10 0.00 0.08 0.00 0.00 32.23 33.43 2k8f h LYS 40 CO 0.13 0.77 0.42 -0.09 -0.57 0.00 0.00 179.45 180.11 2k8f h ARG 41 N 0.82 0.53 -0.08 3.15 2.43 -0.97 2.95 114.38 123.21 2k8f h ARG 41 Ca 0.19 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 2k8f h ARG 41 Cb 0.23 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2k8f h ARG 41 CO -0.01 0.35 -0.09 0.28 -1.51 0.00 0.00 179.97 178.99 2k8f h VAL 42 N 0.55 1.37 0.04 0.20 2.07 -0.04 -0.00 116.25 120.44 2k8f h VAL 42 Ca 0.49 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 2k8f h VAL 42 Cb 0.76 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 2k8f h VAL 42 CO -0.41 0.35 -0.02 0.58 0.02 0.00 0.00 177.57 178.09 2k8f h VAL 43 N -0.22 1.34 -0.60 2.57 2.07 0.18 0.88 116.25 122.47 2k8f h VAL 43 Ca 0.01 -1.32 0.13 0.00 0.82 0.00 0.00 66.70 66.34 2k8f h VAL 43 Cb 0.60 2.20 -0.03 0.00 -1.52 0.00 0.00 31.29 32.54 2k8f h VAL 43 CO 0.02 0.33 0.41 1.56 0.02 0.00 0.00 177.57 179.91 2k8f h GLN 44 N -0.64 0.24 0.19 1.57 4.20 0.51 0.13 115.11 121.31 2k8f h GLN 44 Ca -0.01 -0.01 -0.32 0.00 0.06 0.00 0.00 58.65 58.37 2k8f h GLN 44 Cb 0.58 -0.05 0.03 0.00 0.30 0.00 0.00 27.48 28.34 2k8f h GLN 44 CO 0.01 0.16 -1.36 1.25 -0.67 0.00 0.00 178.83 178.22 2k8f h HIS 45 N 0.24 1.00 -0.57 2.96 2.76 -0.80 -2.97 115.15 117.78 2k8f h HIS 45 Ca 0.28 -0.68 0.12 0.00 -2.20 0.00 0.00 60.37 57.89 2k8f h HIS 45 Cb 0.79 -0.06 -0.10 0.00 1.55 0.00 0.00 27.41 29.58 2k8f h HIS 45 CO -0.00 1.52 -0.06 1.15 -1.30 0.00 0.00 177.93 179.24 2k8f h THR 46 N 0.21 0.49 -0.03 6.26 2.02 0.35 -1.82 112.91 120.39 2k8f h THR 46 Ca -0.22 -0.02 -0.25 0.00 0.77 0.00 0.00 66.41 66.68 2k8f h THR 46 Cb 2.04 0.42 0.02 0.00 -1.74 0.00 0.00 68.15 68.89 2k8f h THR 46 CO 0.26 0.01 -0.97 0.11 0.37 0.00 0.00 175.52 175.30 2k8f h LYS 47 N 0.06 0.71 -0.45 6.66 1.57 -1.53 -3.18 116.57 120.41 2k8f h LYS 47 Ca 0.29 -0.72 0.13 0.00 -1.87 0.00 0.00 60.65 58.48 2k8f h LYS 47 Cb 0.45 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2k8f h LYS 47 CO -0.53 1.30 0.67 0.78 -0.57 0.00 0.00 179.45 181.11 2k8f h GLY 48 N 0.40 0.00 -6.49 3.86 0.00 -1.17 -3.36 103.07 96.32 2k8f h GLY 48 Ca -0.11 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.56 2k8f h GLY 48 CO 0.19 0.00 -0.75 0.00 0.00 0.00 0.00 176.54 175.98 2k8f h LYS 50 N 7.84 0.28 -0.73 0.00 1.79 -1.83 -2.48 116.57 121.44 2k8f h LYS 50 Ca -0.40 -0.43 -0.06 0.00 -2.18 0.00 0.00 60.65 57.58 2k8f h LYS 50 Cb 1.17 0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.94 2k8f h LYS 50 CO 0.60 1.17 0.22 -0.09 -1.08 0.00 0.00 179.45 180.27 2k8f h ARG 51 N 0.10 1.13 -0.54 3.15 1.12 -1.94 -2.38 114.38 115.02 2k8f h ARG 51 Ca -0.11 -0.25 -0.08 0.00 -1.11 0.00 0.00 59.98 58.43 2k8f h ARG 51 Cb 1.86 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 31.64 2k8f h ARG 51 CO 0.19 0.97 0.01 -0.22 -3.11 0.00 0.00 179.97 177.81 2k8f h LYS 52 N 1.08 0.95 -0.88 0.20 3.64 -1.87 -2.42 116.57 117.27 2k8f h LYS 52 Ca 0.23 -0.30 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2k8f h LYS 52 Cb 0.32 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 2k8f h LYS 52 CO -0.01 0.96 0.55 1.15 -2.27 0.00 0.00 179.45 179.83 2k8f h THR 53 N 0.83 1.06 0.00 1.00 2.02 -0.99 0.31 112.91 117.14 2k8f h THR 53 Ca 0.15 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2k8f h THR 53 Cb 0.52 -0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 2k8f h THR 53 CO 0.03 0.19 0.00 0.59 0.37 0.00 0.00 175.52 176.69 2k8f n ASN 54 N -4.59 0.00 0.00 4.18 5.03 -0.94 -4.68 115.26 114.26 2k8f n ASN 54 Ca 0.13 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.75 2k8f n ASN 54 Cb 0.16 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 38.73 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 -1.13 0.59 0.34 7.41 0.00 0.11 -4.98 105.19 107.53 2k8f n GLY 55 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 1.72 -5.20 -0.02 0.00 -1.14 -3.35 103.07 95.07 2k8f h GLY 56 Ca 0.00 -0.31 -0.57 0.00 0.00 0.00 0.00 47.33 46.45 2k8f h GLY 56 CO 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 176.54 176.38 2k8f h PRO 58 N 6.41 0.00 -0.49 0.00 0.11 -1.95 1.00 132.00 137.08 2k8f h PRO 58 Ca -0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2k8f h PRO 58 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2k8f h PRO 58 CO 0.74 0.00 0.23 0.82 -0.21 0.00 0.00 178.00 179.57 2k8f h ILE 59 N 0.00 1.19 -0.02 4.15 2.04 -1.91 1.14 117.51 124.11 2k8f h ILE 59 Ca 0.30 -0.56 -0.12 0.00 1.00 0.00 0.00 64.86 65.47 2k8f h ILE 59 Cb 1.35 0.66 0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2k8f h ILE 59 CO -0.00 0.22 -0.47 0.00 0.00 0.00 0.00 178.15 177.90 2k8f h LYS 61 N -0.20 0.25 -0.34 0.00 3.64 0.04 0.75 116.57 120.70 2k8f h LYS 61 Ca -0.05 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.18 2k8f h LYS 61 Cb 1.18 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 2k8f h LYS 61 CO 0.09 0.16 -0.29 0.37 -2.27 0.00 0.00 179.45 177.51 2k8f h GLN 62 N 0.25 0.80 -0.71 1.90 4.15 0.13 -2.49 115.11 119.14 2k8f h GLN 62 Ca 0.11 -0.41 -0.07 0.00 0.77 0.00 0.00 58.65 59.06 2k8f h GLN 62 Cb 0.05 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 2k8f h GLN 62 CO -0.09 1.04 0.19 1.25 -1.93 0.00 0.00 178.83 179.28 2k8f h LEU 63 N 0.59 1.07 -0.68 -2.39 5.85 0.03 0.12 115.31 119.90 2k8f h LEU 63 Ca 0.06 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2k8f h LEU 63 Cb 0.87 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2k8f h LEU 63 CO 0.08 1.02 0.37 0.40 -0.34 0.00 0.00 178.44 179.97 2k8f h ILE 64 N 1.08 1.21 -0.48 4.05 2.04 0.55 0.83 117.51 126.79 2k8f h ILE 64 Ca 0.23 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 2k8f h ILE 64 Cb 0.36 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 2k8f h ILE 64 CO 0.00 0.23 0.07 0.00 0.00 0.00 0.00 178.15 178.45 2k8f h ALA 65 N 1.19 0.63 -0.78 1.87 0.00 -1.04 0.74 119.26 121.87 2k8f h ALA 65 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k8f h ALA 65 Cb 0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2k8f h ALA 65 CO -0.04 0.37 0.44 1.25 0.00 0.00 0.00 179.25 181.28 2k8f h LEU 66 N 0.66 0.96 -1.25 0.00 5.85 -0.20 0.73 115.31 122.06 2k8f h LEU 66 Ca 0.14 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 2k8f h LEU 66 Cb 0.40 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 2k8f h LEU 66 CO 0.01 0.76 -0.02 0.00 -0.34 0.00 0.00 178.44 178.85 2k8f h ALA 67 N 1.23 1.38 -0.38 1.25 0.00 0.13 -2.42 119.26 120.45 2k8f h ALA 67 Ca 0.28 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2k8f h ALA 67 Cb 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2k8f h ALA 67 CO -0.05 0.43 0.02 0.00 0.00 0.00 0.00 179.25 179.65 2k8f h ALA 68 N 1.52 0.36 -0.56 0.00 0.00 0.29 1.13 119.26 122.01 2k8f h ALA 68 Ca 0.10 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2k8f h ALA 68 Cb 0.34 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2k8f h ALA 68 CO 0.01 -0.38 0.31 1.88 0.00 0.00 0.00 179.25 181.07 2k8f h TYR 69 N 0.13 0.77 -0.32 0.00 0.05 -1.02 -1.92 116.97 114.65 2k8f h TYR 69 Ca 0.18 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 58.89 2k8f h TYR 69 Cb 0.25 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.73 2k8f h TYR 69 CO -0.24 0.56 -0.02 1.25 -1.05 0.00 0.00 178.16 178.66 2k8f h HIS 70 N 0.75 0.63 0.00 4.88 2.76 -0.79 -2.22 115.15 121.17 2k8f h HIS 70 Ca 0.20 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2k8f h HIS 70 Cb 0.05 -0.16 -0.00 0.00 1.55 0.00 0.00 27.41 28.84 2k8f h HIS 70 CO -0.01 0.71 -0.02 0.00 -1.30 0.00 0.00 177.93 177.31 2k8f h ALA 71 N 0.83 1.59 0.10 5.26 0.00 0.14 0.40 119.26 127.59 2k8f h ALA 71 Ca 0.09 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2k8f h ALA 71 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2k8f h ALA 71 CO 0.02 0.03 -0.05 0.87 0.00 0.00 0.00 179.25 180.12 2k8f h LYS 72 N 0.00 -0.13 -0.46 0.00 1.57 -1.03 -3.32 116.57 113.21 2k8f h LYS 72 Ca -0.00 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2k8f h LYS 72 Cb 0.05 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2k8f h LYS 72 CO 0.00 0.38 0.22 1.25 -0.57 0.00 0.00 179.45 180.73 2k8f h HIS 73 N -0.87 0.67 -2.69 -1.35 2.76 -0.96 -3.36 115.15 109.36 2k8f h HIS 73 Ca -0.01 -0.03 -0.54 0.00 -2.20 0.00 0.00 60.37 57.58 2k8f h HIS 73 Cb 0.57 -0.21 -0.06 0.00 1.55 0.00 0.00 27.41 29.26 2k8f h HIS 73 CO 0.12 0.54 1.11 0.00 -1.30 0.00 0.00 177.93 178.40 2k8f n GLN 75 N 8.81 0.64 -4.50 0.00 -0.06 -1.26 -4.68 117.38 116.34 2k8f n GLN 75 Ca 0.11 -0.05 -0.31 0.00 -2.00 0.00 0.00 57.00 54.75 2k8f n GLN 75 Cb 0.49 -1.50 -0.11 0.00 -4.06 0.00 0.00 30.24 25.06 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 -2.40 2.20 -1.00 3.69 2.12 -1.26 -5.06 118.70 117.00 2k8f s GLU 76 Ca 0.34 -0.93 -0.21 0.00 0.36 0.00 0.00 54.97 54.53 2k8f s GLU 76 Cb 0.21 -2.29 0.09 0.00 0.26 0.00 0.00 34.13 32.40 2k8f s GLU 76 CO 0.44 0.55 1.32 -0.80 -0.54 0.00 0.00 175.26 176.22 2k8f s ASN 77 N -1.63 6.59 0.24 -1.70 -0.87 -1.26 -4.86 114.94 111.44 2k8f s ASN 77 Ca 0.17 -1.80 -0.08 0.00 -1.57 0.00 0.00 52.86 49.58 2k8f s ASN 77 Cb -0.11 -2.49 0.41 0.00 -0.02 0.00 0.00 41.25 39.04 2k8f s ASN 77 CO 0.08 -1.28 1.64 0.11 -2.57 0.00 0.00 177.10 175.08 2k8f h LYS 78 N 9.21 0.09 0.00 -0.60 1.79 -1.95 -3.47 116.57 121.65 2k8f h LYS 78 Ca 0.19 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 2k8f h LYS 78 Cb 1.01 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 2k8f h LYS 78 CO 1.28 0.06 0.00 0.00 -1.08 0.00 0.00 179.45 179.71 2k8f h PRO 80 N 0.00 -0.67 -6.06 0.00 0.11 -1.90 -3.40 132.00 120.08 2k8f h PRO 80 Ca 0.00 0.05 -0.58 0.00 0.11 0.00 0.00 66.00 65.58 2k8f h PRO 80 Cb 0.00 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 2k8f h PRO 80 CO 0.00 -0.42 1.43 0.54 -0.21 0.00 0.00 178.00 179.34 2k8f s VAL 81 N -5.84 3.16 0.16 3.15 0.11 -1.25 -4.88 120.40 115.00 2k8f s VAL 81 Ca -0.16 0.16 -0.16 0.00 -2.93 0.00 0.00 61.98 58.89 2k8f s VAL 81 Cb 0.04 -3.22 0.03 0.00 -1.53 0.00 0.00 36.38 31.69 2k8f s VAL 81 CO 0.61 -0.15 1.80 -0.65 -3.33 0.00 0.00 175.10 173.39 2k8f h PRO 82 N 14.60 0.50 -0.64 1.54 0.11 -1.94 -3.21 132.00 142.95 2k8f h PRO 82 Ca -0.38 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.81 2k8f h PRO 82 Cb 1.22 -0.11 -0.08 0.00 0.11 0.00 0.00 31.00 32.14 2k8f h PRO 82 CO 1.00 0.33 0.24 0.74 -0.21 0.00 0.00 178.00 180.09 2k8f h PHE 83 N 0.51 0.41 -0.69 0.65 0.04 -1.96 -0.44 116.94 115.46 2k8f h PHE 83 Ca 0.17 0.03 0.04 0.00 2.80 0.00 0.00 57.97 61.01 2k8f h PHE 83 Cb -0.00 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.02 2k8f h PHE 83 CO -0.07 0.08 0.42 0.00 -0.60 0.00 0.00 178.31 178.14 2k8f h LEU 85 N 0.80 0.75 -1.05 0.00 3.38 -1.27 2.63 115.31 120.55 2k8f h LEU 85 Ca 0.29 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.16 2k8f h LEU 85 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 2k8f h LEU 85 CO -0.13 0.58 0.05 0.78 0.09 0.00 0.00 178.44 179.80 2k8f h ASN 86 N 0.87 0.69 0.00 -0.43 2.35 0.62 -0.50 115.58 119.19 2k8f h ASN 86 Ca 0.23 -0.14 -0.26 0.00 -0.55 0.00 0.00 56.30 55.58 2k8f h ASN 86 Cb -0.04 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.11 2k8f h ASN 86 CO -0.04 0.73 -1.64 -0.38 -1.65 0.00 0.00 177.43 174.44 2k8f n ILE 87 N -4.26 1.51 -0.09 2.81 5.41 -0.20 -3.41 119.36 121.13 2k8f n ILE 87 Ca 0.03 -0.11 -0.12 0.00 1.00 0.00 0.00 62.75 63.54 2k8f n ILE 87 Cb 0.26 -2.07 -0.04 0.00 -0.71 0.00 0.00 39.64 37.07 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 0.60 0.00 0.38 1.79 0.44 -3.20 116.57 115.58 2k8f h LYS 88 Ca -0.39 -0.27 -0.03 0.00 -2.18 0.00 0.00 60.65 57.78 2k8f h LYS 88 Cb 1.28 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2k8f h LYS 88 CO -0.24 0.85 -0.59 0.37 -1.08 0.00 0.00 179.45 178.77 2k8f h GLN 89 N 0.34 0.00 0.00 3.15 4.15 -1.13 -3.49 115.11 118.13 2k8f h GLN 89 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2k8f h GLN 89 Cb 0.69 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.38 2k8f h GLN 89 CO 0.05 0.08 0.00 1.17 -1.93 0.00 0.00 178.83 178.20