#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 1.13 -3.34 0.00 2.02 -2.07 -3.41 112.91 107.24 2k8f h THR 2 Ca 0.00 -0.40 -0.60 0.00 0.77 0.00 0.00 66.41 66.18 2k8f h THR 2 Cb 0.00 1.17 -0.12 0.00 -1.74 0.00 0.00 68.15 67.46 2k8f h THR 2 CO 0.00 0.12 -0.44 -1.10 0.37 0.00 0.00 175.52 174.48 2k8f s GLN 3 N -5.63 4.19 0.09 6.66 -0.21 -1.26 -4.72 119.66 118.78 2k8f s GLN 3 Ca -0.14 -0.13 -0.19 0.00 0.02 0.00 0.00 55.36 54.93 2k8f s GLN 3 Cb 0.06 -3.45 0.07 0.00 1.00 0.00 0.00 33.01 30.69 2k8f s GLN 3 CO 0.69 0.22 0.90 -1.13 -2.12 0.00 0.00 175.29 173.85 2k8f n SER 4 N 3.72 -1.25 -0.13 5.90 3.41 -1.26 -4.95 113.62 119.07 2k8f n SER 4 Ca -0.14 -1.55 0.13 0.00 -0.26 0.00 0.00 58.87 57.05 2k8f n SER 4 Cb 0.52 2.00 0.49 0.00 -0.26 0.00 0.00 64.21 66.97 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 0.42 -0.47 4.33 0.11 -1.97 1.07 132.00 135.49 2k8f h PRO 5 Ca -0.20 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.92 2k8f h PRO 5 Cb 0.95 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.94 2k8f h PRO 5 CO 0.28 0.28 0.31 0.78 -0.21 0.00 0.00 178.00 179.44 2k8f h GLY 6 N 0.43 0.56 1.90 -0.55 0.00 -1.95 1.35 103.07 104.80 2k8f h GLY 6 Ca 0.32 -0.19 -0.14 0.00 0.00 0.00 0.00 47.33 47.33 2k8f h GLY 6 CO -0.10 0.16 -0.71 -1.80 0.00 0.00 0.00 176.54 174.09 2k8f h ASP 7 N 0.47 0.00 0.22 0.19 1.82 0.74 -2.39 116.42 117.47 2k8f h ASP 7 Ca 0.20 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.66 2k8f h ASP 7 Cb 0.18 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.19 2k8f h ASP 7 CO -0.05 0.63 -0.68 -1.28 -1.61 0.00 0.00 179.24 176.25 2k8f h SER 8 N 0.00 0.48 -0.08 2.28 0.87 0.27 0.31 113.55 117.68 2k8f h SER 8 Ca -0.02 -0.30 -0.14 0.00 -1.23 0.00 0.00 61.79 60.10 2k8f h SER 8 Cb 1.50 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 2k8f h SER 8 CO 0.08 1.02 -0.40 0.03 -0.53 0.00 0.00 176.83 177.03 2k8f h ARG 9 N 0.29 0.61 -0.11 2.24 3.08 0.16 1.52 114.38 122.16 2k8f h ARG 9 Ca -0.02 -0.31 -0.15 0.00 0.07 0.00 0.00 59.98 59.56 2k8f h ARG 9 Cb 1.24 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 2k8f h ARG 9 CO 0.12 0.91 -0.58 0.00 -1.07 0.00 0.00 179.97 179.34 2k8f h ARG 10 N 0.50 0.36 0.00 0.04 2.47 -1.20 -2.05 114.38 114.51 2k8f h ARG 10 Ca 0.04 -0.24 -0.12 0.00 -1.26 0.00 0.00 59.98 58.40 2k8f h ARG 10 Cb 0.92 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.25 2k8f h ARG 10 CO 0.08 0.84 -0.58 -0.07 0.56 0.00 0.00 179.97 180.80 2k8f h LEU 11 N 0.27 0.00 -0.18 3.04 3.38 0.06 -2.27 115.31 119.62 2k8f h LEU 11 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2k8f h LEU 11 Cb 1.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2k8f h LEU 11 CO 0.10 0.58 0.02 -1.28 0.09 0.00 0.00 178.44 177.96 2k8f h SER 12 N 0.00 0.29 0.34 -0.43 0.87 0.25 -2.00 113.55 112.87 2k8f h SER 12 Ca -0.01 -0.27 -0.13 0.00 -1.23 0.00 0.00 61.79 60.16 2k8f h SER 12 Cb 1.42 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 2k8f h SER 12 CO 0.08 0.48 -0.53 0.16 -0.53 0.00 0.00 176.83 176.49 2k8f h ILE 13 N 0.08 1.36 -0.81 2.23 3.07 -1.41 -2.23 117.51 119.80 2k8f h ILE 13 Ca 0.05 -1.81 0.03 0.00 1.55 0.00 0.00 64.86 64.69 2k8f h ILE 13 Cb 0.32 1.89 -0.05 0.00 -0.27 0.00 0.00 36.82 38.71 2k8f h ILE 13 CO 0.00 0.53 0.52 -0.61 -1.05 0.00 0.00 178.15 177.55 2k8f h GLN 14 N 0.17 0.98 -0.30 0.16 4.15 -1.18 2.55 115.11 121.64 2k8f h GLN 14 Ca 0.00 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.19 2k8f h GLN 14 Cb 0.99 -0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.45 2k8f h GLN 14 CO 0.08 0.65 -0.50 0.00 -1.93 0.00 0.00 178.83 177.13 2k8f h ARG 15 N 1.01 0.83 -0.48 1.69 3.08 -1.25 1.10 114.38 120.36 2k8f h ARG 15 Ca 0.32 -0.50 -0.13 0.00 0.07 0.00 0.00 59.98 59.75 2k8f h ARG 15 Cb 0.01 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2k8f h ARG 15 CO -0.11 1.13 -0.21 0.00 -1.07 0.00 0.00 179.97 179.71 2k8f h ALA 16 N 0.78 0.72 -0.10 0.04 0.00 -0.71 -2.36 119.26 117.63 2k8f h ALA 16 Ca 0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2k8f h ALA 16 Cb 1.09 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2k8f h ALA 16 CO 0.11 0.67 0.02 0.82 0.00 0.00 0.00 179.25 180.87 2k8f h ILE 17 N 0.85 1.21 -0.98 0.00 1.08 0.47 1.35 117.51 121.48 2k8f h ILE 17 Ca 0.11 -0.65 0.23 0.00 -0.39 0.00 0.00 64.86 64.16 2k8f h ILE 17 Cb 0.78 1.45 -0.08 0.00 -3.07 0.00 0.00 36.82 35.90 2k8f h ILE 17 CO 0.06 0.19 0.64 1.56 -0.69 0.00 0.00 178.15 179.91 2k8f h GLN 18 N -0.05 0.41 0.14 2.37 4.20 0.15 1.89 115.11 124.22 2k8f h GLN 18 Ca 0.03 -0.02 -0.36 0.00 0.06 0.00 0.00 58.65 58.36 2k8f h GLN 18 Cb 0.28 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2k8f h GLN 18 CO 0.00 0.27 -1.90 1.03 -0.67 0.00 0.00 178.83 177.57 2k8f h SER 19 N 0.43 0.48 0.13 1.46 0.87 -0.96 -2.39 113.55 113.57 2k8f h SER 19 Ca 0.54 -0.91 -0.01 0.00 -1.23 0.00 0.00 61.79 60.18 2k8f h SER 19 Cb 1.32 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2k8f h SER 19 CO -0.24 1.80 -0.06 0.25 -0.53 0.00 0.00 176.83 178.05 2k8f h LEU 20 N 0.08 -0.15 -0.35 2.23 5.85 0.34 2.04 115.31 125.34 2k8f h LEU 20 Ca -0.39 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 2k8f h LEU 20 Cb 2.06 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 43.11 2k8f h LEU 20 CO 0.12 0.10 0.18 0.58 -0.34 0.00 0.00 178.44 179.07 2k8f h VAL 21 N -0.40 1.16 -0.05 1.05 2.07 0.27 0.68 116.25 121.03 2k8f h VAL 21 Ca -0.02 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2k8f h VAL 21 Cb 0.32 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2k8f h VAL 21 CO 0.03 0.16 -0.02 -0.74 0.02 0.00 0.00 177.57 177.02 2k8f h HIS 22 N 0.43 0.11 0.00 1.57 -0.00 -1.33 -1.16 115.15 114.77 2k8f h HIS 22 Ca 0.12 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.43 2k8f h HIS 22 Cb 0.10 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.48 2k8f h HIS 22 CO -0.02 0.47 -0.18 0.00 -0.00 0.00 0.00 177.93 178.20 2k8f h ALA 23 N 0.62 1.40 -0.01 5.26 0.00 0.34 1.90 119.26 128.77 2k8f h ALA 23 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k8f h ALA 23 Cb 0.44 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2k8f h ALA 23 CO 0.01 0.23 -0.15 0.00 0.00 0.00 0.00 179.25 179.33 2k8f n ALA 24 N -2.37 2.88 -0.01 0.00 0.00 0.24 -4.04 120.51 117.20 2k8f n ALA 24 Ca -0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 53.44 52.98 2k8f n ALA 24 Cb 0.27 -1.14 -0.02 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.30 2.11 -3.39 0.00 1.13 -0.45 -3.94 117.38 112.55 2k8f n GLN 25 Ca 0.15 0.01 -0.44 0.00 -1.94 0.00 0.00 57.00 54.78 2k8f n GLN 25 Cb 0.35 -1.06 -0.01 0.00 0.11 0.00 0.00 30.24 29.63 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 2.69 2.72 -0.12 0.00 3.00 -1.26 -4.50 116.66 119.20 2k8f n ARG 27 Ca 0.23 -2.02 -0.12 0.00 -0.00 0.00 0.00 57.85 55.94 2k8f n ARG 27 Cb 0.39 -2.24 -0.03 0.00 0.00 0.00 0.00 32.46 30.59 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 3.45 0.83 0.00 6.15 -0.73 -1.90 -3.47 115.58 119.91 2k8f h ASN 28 Ca 0.42 -0.43 0.00 0.00 1.87 0.00 0.00 56.30 58.16 2k8f h ASN 28 Cb 0.89 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 39.25 2k8f h ASN 28 CO 0.84 1.09 0.00 0.00 -0.37 0.00 0.00 177.43 178.99 2k8f n ALA 29 N -2.49 0.00 -0.18 1.57 0.00 -1.26 -4.70 120.51 113.44 2k8f n ALA 29 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.48 2k8f n ALA 29 Cb 0.45 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.19 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 1.75 3.97 -2.74 0.00 3.02 -1.26 -4.95 115.26 115.05 2k8f n ASN 30 Ca 0.00 -2.43 -0.33 0.00 -0.03 0.00 0.00 54.58 51.80 2k8f n ASN 30 Cb 0.00 -0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.60 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 1.09 1.96 -4.36 0.00 3.41 -1.26 -4.71 113.62 109.75 2k8f n SER 32 Ca 0.12 -1.94 -0.44 0.00 -0.26 0.00 0.00 58.87 56.35 2k8f n SER 32 Cb 0.11 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.12 5.61 0.51 1.04 1.43 -1.26 -4.94 118.68 119.95 2k8f s LEU 33 Ca 0.27 -1.42 0.36 0.00 -1.03 0.00 0.00 54.13 52.32 2k8f s LEU 33 Cb 0.14 -2.15 1.52 0.00 0.03 0.00 0.00 46.19 45.72 2k8f s LEU 33 CO 0.19 -0.65 1.70 -0.65 0.23 0.00 0.00 176.35 177.17 2k8f h PRO 34 N 8.71 0.07 -0.26 1.29 0.11 -2.00 1.62 132.00 141.53 2k8f h PRO 34 Ca -0.28 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.76 2k8f h PRO 34 Cb 1.10 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2k8f h PRO 34 CO 0.88 0.05 -0.14 0.77 -0.21 0.00 0.00 178.00 179.34 2k8f h SER 35 N 0.07 0.43 0.22 -2.05 0.02 -1.97 -2.09 113.55 108.18 2k8f h SER 35 Ca 0.72 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.54 2k8f h SER 35 Cb 2.61 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 65.04 2k8f h SER 35 CO -0.13 0.60 -0.11 0.00 -1.14 0.00 0.00 176.83 176.05 2k8f h GLN 37 N -0.82 0.68 -0.00 0.00 4.20 -1.42 1.38 115.11 119.13 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 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2k8f h GLN 37 CO 0.05 0.45 -0.82 -0.22 -0.67 0.00 0.00 178.83 177.62 2k8f h LYS 38 N 0.70 0.08 0.00 1.46 3.11 -1.38 -1.33 116.57 119.21 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 0.92 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.17 2k8f h LYS 38 CO -0.31 0.86 -0.88 0.52 -2.81 0.00 0.00 179.45 176.82 2k8f h MET 39 N 0.05 0.25 -0.55 1.90 2.86 0.16 -1.86 114.93 117.74 2k8f h MET 39 Ca -0.02 -0.27 -0.08 0.00 -2.06 0.00 0.00 59.70 57.27 2k8f h MET 39 Cb 1.44 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 2k8f h MET 39 CO 0.12 0.98 0.02 0.87 1.06 0.00 0.00 176.91 179.96 2k8f h LYS 40 N 0.14 0.95 -0.93 1.72 1.57 0.17 0.81 116.57 121.00 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 1.51 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.65 2k8f h LYS 40 CO 0.14 0.95 0.59 -0.09 -0.57 0.00 0.00 179.45 180.47 2k8f h ARG 41 N 0.83 0.72 -0.03 3.15 2.43 -1.05 3.08 114.38 123.52 2k8f h ARG 41 Ca 0.16 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2k8f h ARG 41 Cb 0.51 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2k8f h ARG 41 CO 0.02 0.47 -0.21 0.28 -1.51 0.00 0.00 179.97 179.02 2k8f h VAL 42 N 0.74 1.50 0.06 0.20 2.07 -0.21 -2.05 116.25 118.56 2k8f h VAL 42 Ca 0.48 -1.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.23 2k8f h VAL 42 Cb 0.74 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2k8f h VAL 42 CO -0.24 0.49 -0.03 0.58 0.02 0.00 0.00 177.57 178.39 2k8f h VAL 43 N -0.41 1.25 -0.74 2.57 2.07 0.18 0.31 116.25 121.49 2k8f h VAL 43 Ca -0.02 -1.31 0.12 0.00 0.82 0.00 0.00 66.70 66.31 2k8f h VAL 43 Cb 0.91 2.08 -0.05 0.00 -1.52 0.00 0.00 31.29 32.70 2k8f h VAL 43 CO 0.04 0.32 0.49 1.56 0.02 0.00 0.00 177.57 180.00 2k8f h GLN 44 N -0.70 0.50 0.04 1.57 1.08 0.54 0.14 115.11 118.27 2k8f h GLN 44 Ca -0.01 -0.03 -0.26 0.00 -1.45 0.00 0.00 58.65 56.91 2k8f h GLN 44 Cb 0.58 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.87 2k8f h GLN 44 CO 0.01 0.33 -1.30 1.25 -0.95 0.00 0.00 178.83 178.18 2k8f h HIS 45 N 0.51 0.15 -0.33 2.96 -0.00 -1.34 -3.11 115.15 113.99 2k8f h HIS 45 Ca 0.36 -0.11 0.02 0.00 -0.00 0.00 0.00 60.37 60.64 2k8f h HIS 45 Cb 0.68 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.06 2k8f h HIS 45 CO -0.00 1.11 0.18 1.15 -0.00 0.00 0.00 177.93 180.37 2k8f h THR 46 N 0.02 1.02 -0.29 6.26 2.02 0.16 -2.84 112.91 119.26 2k8f h THR 46 Ca -0.13 -0.13 -0.18 0.00 0.77 0.00 0.00 66.41 66.73 2k8f h THR 46 Cb 1.90 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.92 2k8f h THR 46 CO 0.13 0.07 -0.53 0.11 0.37 0.00 0.00 175.52 175.67 2k8f h LYS 47 N 0.38 0.87 0.00 6.66 1.57 -1.43 -2.91 116.57 121.70 2k8f h LYS 47 Ca 0.13 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 2k8f h LYS 47 Cb 0.02 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2k8f h LYS 47 CO -0.07 1.18 0.68 0.78 -0.57 0.00 0.00 179.45 181.45 2k8f h GLY 48 N 0.72 0.00 -5.53 3.86 0.00 -1.43 -3.36 103.07 97.34 2k8f h GLY 48 Ca 0.02 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.69 2k8f h GLY 48 CO 0.12 0.00 -0.74 0.00 0.00 0.00 0.00 176.54 175.92 2k8f h LYS 50 N 6.38 0.02 -0.01 0.00 1.79 -1.84 -2.64 116.57 120.28 2k8f h LYS 50 Ca -0.32 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.06 2k8f h LYS 50 Cb 1.20 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2k8f h LYS 50 CO 0.56 0.70 -0.19 -0.09 -1.08 0.00 0.00 179.45 179.35 2k8f h ARG 51 N 0.01 0.14 -0.55 3.15 1.12 -1.94 -3.20 114.38 113.10 2k8f h ARG 51 Ca -0.21 -0.14 -0.09 0.00 -1.11 0.00 0.00 59.98 58.43 2k8f h ARG 51 Cb 1.95 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 31.92 2k8f h ARG 51 CO 0.10 0.87 -0.01 -0.22 -3.11 0.00 0.00 179.97 177.60 2k8f h LYS 52 N -0.54 0.94 0.00 0.20 3.64 -1.88 -1.98 116.57 116.96 2k8f h LYS 52 Ca -0.02 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2k8f h LYS 52 Cb 0.93 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2k8f h LYS 52 CO 0.04 0.94 0.05 1.15 -2.27 0.00 0.00 179.45 179.36 2k8f h THR 53 N 0.87 0.00 -0.28 1.00 2.02 -1.52 0.33 112.91 115.33 2k8f h THR 53 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.34 2k8f h THR 53 Cb 0.52 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2k8f h THR 53 CO 0.03 0.00 0.00 0.59 0.37 0.00 0.00 175.52 176.51 2k8f n ASN 54 N -2.38 2.27 0.00 4.18 3.02 -0.76 -4.86 115.26 116.74 2k8f n ASN 54 Ca -0.02 -1.84 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 2k8f n ASN 54 Cb 0.09 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 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 1.24 0.55 0.40 7.41 0.00 0.11 -4.94 105.19 109.97 2k8f n GLY 55 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.47 -2.40 -0.02 0.00 -1.30 -3.27 103.07 95.61 2k8f h GLY 56 Ca 0.00 0.66 -0.50 0.00 0.00 0.00 0.00 47.33 47.50 2k8f h GLY 56 CO 0.00 -0.08 0.05 0.00 0.00 0.00 0.00 176.54 176.51 2k8f h PRO 58 N 0.83 0.00 -0.23 0.00 0.11 -1.96 0.38 132.00 131.13 2k8f h PRO 58 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 2k8f h PRO 58 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2k8f h PRO 58 CO 0.63 0.00 0.03 0.82 -0.21 0.00 0.00 178.00 179.27 2k8f h ILE 59 N 0.00 1.23 -0.01 4.15 2.04 -1.93 0.75 117.51 123.75 2k8f h ILE 59 Ca 0.04 -0.77 -0.23 0.00 1.00 0.00 0.00 64.86 64.90 2k8f h ILE 59 Cb 0.16 1.30 0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2k8f h ILE 59 CO -0.00 0.24 -0.91 0.00 0.00 0.00 0.00 178.15 177.48 2k8f h LYS 61 N 0.27 0.30 -0.37 0.00 3.64 -0.24 0.49 116.57 120.66 2k8f h LYS 61 Ca -0.11 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 2k8f h LYS 61 Cb 1.58 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.32 2k8f h LYS 61 CO 0.18 0.22 -0.18 0.37 -2.27 0.00 0.00 179.45 177.78 2k8f h GLN 62 N 0.29 0.77 -0.69 1.90 4.15 0.51 -2.50 115.11 119.54 2k8f h GLN 62 Ca 0.08 -0.34 -0.06 0.00 0.77 0.00 0.00 58.65 59.10 2k8f h GLN 62 Cb -0.01 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 2k8f h GLN 62 CO -0.02 0.96 0.20 1.25 -1.93 0.00 0.00 178.83 179.29 2k8f h LEU 63 N 0.57 1.02 -0.76 -2.39 5.85 -0.18 0.28 115.31 119.70 2k8f h LEU 63 Ca 0.08 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.59 2k8f h LEU 63 Cb 0.72 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 2k8f h LEU 63 CO 0.05 0.97 0.50 0.40 -0.34 0.00 0.00 178.44 180.03 2k8f h ILE 64 N 1.02 1.19 -0.03 4.05 2.04 0.04 1.15 117.51 126.97 2k8f h ILE 64 Ca 0.22 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 2k8f h ILE 64 Cb 0.33 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2k8f h ILE 64 CO -0.00 0.19 -0.02 0.00 0.00 0.00 0.00 178.15 178.31 2k8f h ALA 65 N 1.28 0.05 -0.98 1.87 0.00 -1.02 0.49 119.26 120.95 2k8f h ALA 65 Ca 0.28 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 55.00 2k8f h ALA 65 Cb -0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 2k8f h ALA 65 CO -0.06 -0.20 0.63 1.25 0.00 0.00 0.00 179.25 180.86 2k8f h LEU 66 N -0.35 1.03 -1.15 0.00 5.85 -0.17 0.33 115.31 120.86 2k8f h LEU 66 Ca 0.01 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 2k8f h LEU 66 Cb 0.48 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2k8f h LEU 66 CO 0.01 0.68 -0.08 0.00 -0.34 0.00 0.00 178.44 178.70 2k8f h ALA 67 N 1.43 1.29 -0.34 1.25 0.00 0.15 -2.31 119.26 120.73 2k8f h ALA 67 Ca 0.41 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2k8f h ALA 67 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2k8f h ALA 67 CO -0.15 0.47 0.17 0.00 0.00 0.00 0.00 179.25 179.74 2k8f h ALA 68 N 1.45 0.44 -0.34 0.00 0.00 0.39 0.78 119.26 121.98 2k8f h ALA 68 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k8f h ALA 68 Cb 0.43 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2k8f h ALA 68 CO 0.02 0.00 0.17 1.88 0.00 0.00 0.00 179.25 181.32 2k8f h TYR 69 N 0.42 0.48 -0.04 0.00 0.05 -0.89 -0.73 116.97 116.26 2k8f h TYR 69 Ca 0.12 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 2k8f h TYR 69 Cb 0.11 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.70 2k8f h TYR 69 CO -0.02 0.41 -0.06 1.25 -1.05 0.00 0.00 178.16 178.70 2k8f h HIS 70 N 0.41 0.13 0.00 4.88 2.76 -1.24 -2.20 115.15 119.90 2k8f h HIS 70 Ca 0.12 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2k8f h HIS 70 Cb 0.10 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.04 2k8f h HIS 70 CO -0.02 0.62 -0.01 0.00 -1.30 0.00 0.00 177.93 177.22 2k8f h ALA 71 N 0.49 1.15 0.00 5.26 0.00 0.58 -1.22 119.26 125.53 2k8f h ALA 71 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k8f h ALA 71 Cb 0.61 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k8f h ALA 71 CO 0.01 0.02 -0.08 0.87 0.00 0.00 0.00 179.25 180.08 2k8f h LYS 72 N 0.00 0.00 -1.00 0.00 1.57 -1.04 -3.33 116.57 112.76 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 0.09 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.31 2k8f h LYS 72 CO 0.00 0.45 0.63 1.25 -0.57 0.00 0.00 179.45 181.21 2k8f h HIS 73 N -1.00 1.12 -2.70 -1.35 2.76 -1.16 -3.31 115.15 109.51 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 0.49 -0.35 -0.07 0.00 1.55 0.00 0.00 27.41 29.03 2k8f h HIS 73 CO 0.11 0.39 1.08 0.00 -1.30 0.00 0.00 177.93 178.21 2k8f n GLN 75 N 8.87 0.92 -4.70 0.00 1.13 -1.25 -4.72 117.38 117.63 2k8f n GLN 75 Ca 0.09 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.83 2k8f n GLN 75 Cb 0.49 -1.43 -0.12 0.00 0.11 0.00 0.00 30.24 29.30 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 -2.00 2.43 -1.03 -1.09 2.12 -1.26 -5.05 118.70 112.82 2k8f s GLU 76 Ca 0.38 -0.76 -0.23 0.00 0.36 0.00 0.00 54.97 54.72 2k8f s GLU 76 Cb 0.17 -2.38 0.04 0.00 0.26 0.00 0.00 34.13 32.23 2k8f s GLU 76 CO 0.29 0.60 1.50 1.21 -0.54 0.00 0.00 175.26 178.32 2k8f s ASN 77 N -1.09 6.43 0.10 -1.70 2.47 -1.26 -4.86 114.94 115.02 2k8f s ASN 77 Ca 0.14 -1.46 -0.19 0.00 0.42 0.00 0.00 52.86 51.77 2k8f s ASN 77 Cb -0.11 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 37.08 2k8f s ASN 77 CO 0.04 -1.57 1.16 0.29 -3.72 0.00 0.00 177.10 173.30 2k8f n LYS 78 N 8.86 -0.27 0.00 0.43 4.76 -1.26 -4.90 118.16 125.78 2k8f n LYS 78 Ca 0.34 1.15 0.00 0.00 -2.87 0.00 0.00 58.31 56.93 2k8f n LYS 78 Cb 0.50 -1.69 0.00 0.00 -1.84 0.00 0.00 35.03 32.00 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 0.17 -6.23 0.00 0.13 -1.90 -3.42 132.00 120.74 2k8f h PRO 80 Ca 0.00 -0.07 -0.58 0.00 -0.87 0.00 0.00 66.00 64.49 2k8f h PRO 80 Cb 0.00 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.10 2k8f h PRO 80 CO 0.00 0.49 1.29 0.08 -0.23 0.00 0.00 178.00 179.63 2k8f s VAL 81 N -4.29 3.42 0.13 1.56 1.01 -1.25 -4.91 120.40 116.08 2k8f s VAL 81 Ca -0.04 0.44 -0.21 0.00 0.00 0.00 0.00 61.98 62.17 2k8f s VAL 81 Cb 0.14 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2k8f s VAL 81 CO 0.75 -0.32 1.68 -0.65 0.00 0.00 0.00 175.10 176.56 2k8f h PRO 82 N 12.84 -0.09 -0.42 2.72 0.11 -1.91 -3.00 132.00 142.25 2k8f h PRO 82 Ca -0.35 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.79 2k8f h PRO 82 Cb 1.18 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2k8f h PRO 82 CO 1.01 -0.06 0.23 0.74 -0.21 0.00 0.00 178.00 179.72 2k8f h PHE 83 N -0.09 0.43 -0.71 0.65 0.04 -1.97 -1.72 116.94 113.58 2k8f h PHE 83 Ca 0.11 0.02 0.12 0.00 2.80 0.00 0.00 57.97 61.01 2k8f h PHE 83 Cb 0.25 -0.13 -0.08 0.00 2.20 0.00 0.00 35.95 38.18 2k8f h PHE 83 CO -0.26 0.24 0.29 0.00 -0.60 0.00 0.00 178.31 177.99 2k8f h LEU 85 N 0.47 1.00 -0.95 0.00 3.38 -1.33 1.40 115.31 119.28 2k8f h LEU 85 Ca 0.37 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 2k8f h LEU 85 Cb 0.50 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2k8f h LEU 85 CO -0.35 0.83 -0.47 0.78 0.09 0.00 0.00 178.44 179.32 2k8f h ASN 86 N 1.11 0.00 0.00 -0.43 2.35 0.32 -1.45 115.58 117.48 2k8f h ASN 86 Ca 0.27 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.63 2k8f h ASN 86 Cb 0.08 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 2k8f h ASN 86 CO -0.04 0.47 -2.16 -0.38 -1.65 0.00 0.00 177.43 173.68 2k8f n ILE 87 N -3.75 1.53 -0.02 2.81 5.41 0.15 -3.61 119.36 121.87 2k8f n ILE 87 Ca -0.01 -0.28 -0.16 0.00 1.00 0.00 0.00 62.75 63.30 2k8f n ILE 87 Cb 0.53 -1.92 -0.12 0.00 -0.71 0.00 0.00 39.64 37.42 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 -0.97 0.19 0.00 0.38 1.79 0.17 -3.31 116.57 114.82 2k8f h LYS 88 Ca -0.60 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 57.66 2k8f h LYS 88 Cb 1.53 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 2k8f h LYS 88 CO -0.35 0.96 -0.43 1.04 -1.08 0.00 0.00 179.45 179.58 2k8f n GLN 89 N -4.46 0.21 0.00 3.15 6.02 -0.69 -5.03 117.38 116.57 2k8f n GLN 89 Ca -0.10 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2k8f n GLN 89 Cb 0.54 -1.65 0.00 0.00 1.02 0.00 0.00 30.24 30.14 2k8f n GLN 89 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22