#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kjs n LEU 2 N 0.00 0.55 0.00 4.03 7.94 -1.24 0.31 117.00 128.59 1kjs n LEU 2 Ca 0.00 -0.28 0.00 0.00 -1.11 0.00 0.00 56.01 54.62 1kjs n LEU 2 Cb 0.00 -0.28 0.00 0.00 0.53 0.00 0.00 43.42 43.67 1kjs n LEU 2 CO 0.00 0.14 0.00 0.00 -1.11 0.00 0.00 177.39 176.42 1kjs n GLN 3 N -0.09 0.00 -0.08 1.96 10.64 -1.25 -4.80 117.38 123.76 1kjs n GLN 3 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 1kjs n GLN 3 Cb 0.14 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.46 1kjs n GLN 3 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1kjs h LYS 4 N 0.00 0.00 0.00 2.61 3.11 -1.83 -1.69 116.57 118.77 1kjs h LYS 4 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1kjs h LYS 4 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1kjs h LYS 4 CO 0.00 0.39 0.00 1.17 -2.81 0.00 0.00 179.45 178.20 1kjs n LYS 5 N -4.56 0.04 -0.11 1.90 3.00 -1.26 -1.97 118.16 115.20 1kjs n LYS 5 Ca -0.16 0.08 -0.12 0.00 -0.00 0.00 0.00 58.31 58.11 1kjs n LYS 5 Cb 0.40 -1.55 -0.15 0.00 0.00 0.00 0.00 35.03 33.74 1kjs n LYS 5 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1kjs n ILE 6 N -1.61 1.43 0.23 3.15 2.08 -1.26 -3.59 119.36 119.79 1kjs n ILE 6 Ca 0.06 -0.77 0.13 0.00 0.56 0.00 0.00 62.75 62.73 1kjs n ILE 6 Cb 0.32 -0.76 0.34 0.00 -0.75 0.00 0.00 39.64 38.78 1kjs n ILE 6 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1kjs h GLU 7 N 0.00 0.00 -0.00 0.38 4.57 -1.28 -1.10 114.58 117.15 1kjs h GLU 7 Ca -0.55 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 57.58 1kjs h GLU 7 Cb 2.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.73 1kjs h GLU 7 CO -0.01 0.06 -0.18 1.05 -1.18 0.00 0.00 179.01 178.76 1kjs h GLU 8 N 0.00 0.13 -0.08 1.92 4.11 -1.55 -1.08 114.58 118.02 1kjs h GLU 8 Ca -0.00 -0.13 -0.18 0.00 0.07 0.00 0.00 59.36 59.11 1kjs h GLU 8 Cb 0.86 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1kjs h GLU 8 CO 0.01 0.89 -0.72 0.97 0.07 0.00 0.00 179.01 180.22 1kjs h ILE 9 N -0.58 1.38 -0.04 -1.06 -0.00 -1.61 -0.86 117.51 114.73 1kjs h ILE 9 Ca -0.02 -2.13 -0.00 0.00 -0.00 0.00 0.00 64.86 62.71 1kjs h ILE 9 Cb 0.95 2.10 -0.00 0.00 -0.00 0.00 0.00 36.82 39.87 1kjs h ILE 9 CO 0.04 0.64 0.01 0.00 -0.00 0.00 0.00 178.15 178.84 1kjs h ALA 10 N 0.93 0.06 -0.22 0.18 0.00 -1.27 -2.54 119.26 116.40 1kjs h ALA 10 Ca -0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1kjs h ALA 10 Cb 1.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1kjs h ALA 10 CO 0.13 -0.32 -0.05 0.00 0.00 0.00 0.00 179.25 179.00 1kjs h ALA 11 N 0.79 1.51 -0.30 0.00 0.00 -1.16 -2.57 119.26 117.54 1kjs h ALA 11 Ca 0.01 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 1kjs h ALA 11 Cb 0.24 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.82 1kjs h ALA 11 CO 0.00 0.35 0.19 0.36 0.00 0.00 0.00 179.25 180.15 1kjs n LYS 12 N -4.31 1.74 -4.10 0.00 -0.00 -0.33 -4.88 118.16 106.28 1kjs n LYS 12 Ca 0.00 -1.23 -0.30 0.00 -0.00 0.00 0.00 58.31 56.78 1kjs n LYS 12 Cb 0.23 -1.61 -0.07 0.00 -0.00 0.00 0.00 35.03 33.58 1kjs n LYS 12 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1kjs s TYR 13 N -0.93 3.08 -0.24 5.58 2.02 -0.97 -4.96 117.35 120.93 1kjs s TYR 13 Ca 0.33 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.07 1kjs s TYR 13 Cb 0.22 -1.58 0.27 0.00 -0.40 0.00 0.00 41.96 40.46 1kjs s TYR 13 CO -0.04 0.50 1.65 1.17 -1.57 0.00 0.00 175.55 177.25 1kjs n LYS 14 N 0.59 1.65 -3.20 -0.62 4.81 -1.26 -4.70 118.16 115.42 1kjs n LYS 14 Ca -0.10 -1.42 0.04 0.00 -0.87 0.00 0.00 58.31 55.96 1kjs n LYS 14 Cb 0.52 -1.56 -0.02 0.00 0.02 0.00 0.00 35.03 33.99 1kjs n LYS 14 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1kjs s HIS 15 N -1.60 -0.73 0.33 5.64 2.46 -1.26 -5.03 115.29 115.10 1kjs s HIS 15 Ca 0.27 0.87 0.09 0.00 0.47 0.00 0.00 55.06 56.77 1kjs s HIS 15 Cb 0.22 0.29 0.97 0.00 -0.13 0.00 0.00 32.58 33.93 1kjs s HIS 15 CO 0.03 -0.39 1.60 0.66 -2.47 0.00 0.00 174.74 174.17 1kjs h SER 16 N 7.88 -0.03 -0.80 9.88 4.64 -1.96 0.34 113.55 133.51 1kjs h SER 16 Ca -0.16 0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 1kjs h SER 16 Cb 1.16 0.34 -0.04 0.00 -0.31 0.00 0.00 62.40 63.55 1kjs h SER 16 CO 0.00 -0.32 0.42 0.58 -0.87 0.00 0.00 176.83 176.64 1kjs h VAL 17 N 0.08 1.24 -0.23 0.95 2.07 -1.98 -0.84 116.25 117.54 1kjs h VAL 17 Ca 0.68 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1kjs h VAL 17 Cb 1.57 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1kjs h VAL 17 CO -0.79 0.28 0.44 0.58 0.02 0.00 0.00 177.57 178.10 1kjs h VAL 18 N 1.13 0.17 -0.12 2.57 2.07 -0.68 0.19 116.25 121.60 1kjs h VAL 18 Ca 0.28 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.79 1kjs h VAL 18 Cb 0.06 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 1kjs h VAL 18 CO -0.04 0.00 0.04 0.50 0.02 0.00 0.00 177.57 178.09 1kjs h LYS 19 N 0.00 0.18 -0.22 1.57 3.64 -1.15 -1.51 116.57 119.07 1kjs h LYS 19 Ca 0.11 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1kjs h LYS 19 Cb 0.99 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 1kjs h LYS 19 CO -0.00 0.30 0.07 -0.22 -2.27 0.00 0.00 179.45 177.33 1kjs h LYS 20 N 0.02 0.34 -0.60 1.90 1.63 -0.75 0.60 116.57 119.72 1kjs h LYS 20 Ca 0.04 -0.08 0.12 0.00 -0.85 0.00 0.00 60.65 59.88 1kjs h LYS 20 Cb 0.20 -0.05 -0.10 0.00 -0.60 0.00 0.00 32.23 31.68 1kjs h LYS 20 CO -0.00 0.44 0.01 0.00 -3.45 0.00 0.00 179.45 176.45 1kjs h TYR 23 N 0.00 -0.42 -0.05 0.00 0.05 0.26 -1.47 116.97 115.34 1kjs h TYR 23 Ca -0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1kjs h TYR 23 Cb 0.83 0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.72 1kjs h TYR 23 CO 0.00 -0.25 0.00 -0.44 -1.05 0.00 0.00 178.16 176.42 1kjs h ASP 24 N -0.38 0.08 -0.92 3.88 3.32 -1.12 -0.98 116.42 120.29 1kjs h ASP 24 Ca -0.02 -0.30 0.13 0.00 0.02 0.00 0.00 57.03 56.87 1kjs h ASP 24 Cb 0.33 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 39.72 1kjs h ASP 24 CO 0.00 0.36 -0.42 1.23 -1.72 0.00 0.00 179.24 178.70 1kjs h GLY 25 N -0.20 -0.12 1.41 2.75 0.00 -1.12 1.89 103.07 107.67 1kjs h GLY 25 Ca 0.01 0.56 -0.07 0.00 0.00 0.00 0.00 47.33 47.84 1kjs h GLY 25 CO 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.38 1kjs h ALA 26 N 1.15 1.17 -0.18 3.60 0.00 -1.16 -1.08 119.26 122.76 1kjs h ALA 26 Ca 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1kjs h ALA 26 Cb 0.56 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1kjs h ALA 26 CO -0.93 0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.86 1kjs n VAL 28 N 0.05 0.57 -0.11 0.00 3.14 0.54 -4.89 118.33 117.64 1kjs n VAL 28 Ca 0.06 -0.22 -0.16 0.00 -2.96 0.00 0.00 64.34 61.06 1kjs n VAL 28 Cb 0.20 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.85 1kjs n VAL 28 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1kjs n ASN 29 N 0.94 1.57 -4.89 6.55 5.15 -1.26 -4.94 115.26 118.38 1kjs n ASN 29 Ca 0.06 -0.06 -0.32 0.00 -0.60 0.00 0.00 54.58 53.66 1kjs n ASN 29 Cb 0.14 -0.17 -0.05 0.00 -0.53 0.00 0.00 39.78 39.17 1kjs n ASN 29 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1kjs s ASN 30 N -6.36 6.52 0.00 1.20 3.04 -1.26 -5.02 114.94 113.06 1kjs s ASN 30 Ca -0.28 0.65 0.00 0.00 0.04 0.00 0.00 52.86 53.27 1kjs s ASN 30 Cb 0.08 -2.12 0.00 0.00 -1.54 0.00 0.00 41.25 37.67 1kjs s ASN 30 CO 0.67 0.05 0.92 -0.67 -3.04 0.00 0.00 177.10 175.03 1kjs n ASP 31 N 0.16 0.00 0.00 -4.21 2.03 -1.26 -4.44 116.55 108.83 1kjs n ASP 31 Ca -0.03 0.92 0.00 0.00 0.52 0.00 0.00 54.79 56.20 1kjs n ASP 31 Cb 0.52 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1kjs n ASP 31 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1kjs n GLU 32 N -2.25 0.00 -1.35 -0.67 1.02 -1.26 -4.71 120.64 111.42 1kjs n GLU 32 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 1kjs n GLU 32 Cb 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 31.44 31.22 1kjs n GLU 32 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1kjs n THR 33 N 0.00 0.00 0.00 2.62 -2.24 -1.26 -4.79 114.28 108.61 1kjs n THR 33 Ca 0.00 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1kjs n THR 33 Cb 0.00 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 1kjs n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kjs h GLU 35 N 0.00 0.47 -0.75 0.00 4.22 -1.95 0.29 114.58 116.85 1kjs h GLU 35 Ca 0.00 -0.03 0.13 0.00 0.08 0.00 0.00 59.36 59.55 1kjs h GLU 35 Cb 0.00 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.05 1kjs h GLU 35 CO 0.00 0.31 0.32 1.96 -2.18 0.00 0.00 179.01 179.42 1kjs h GLN 36 N 0.48 0.47 -0.30 1.92 4.20 -1.92 1.34 115.11 121.30 1kjs h GLN 36 Ca 0.17 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.77 1kjs h GLN 36 Cb 0.09 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1kjs h GLN 36 CO -0.04 0.31 -0.17 -0.09 -0.67 0.00 0.00 178.83 178.17 1kjs h ARG 37 N 0.49 0.54 -0.28 1.46 1.12 0.20 -3.02 114.38 114.89 1kjs h ARG 37 Ca 0.41 -0.18 0.03 0.00 -1.11 0.00 0.00 59.98 59.13 1kjs h ARG 37 Cb 0.58 -0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.46 1kjs h ARG 37 CO -0.38 0.69 -0.23 0.00 -3.11 0.00 0.00 179.97 176.94 1kjs h ALA 38 N 1.33 -0.37 0.00 2.80 0.00 0.31 -3.45 119.26 119.88 1kjs h ALA 38 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1kjs h ALA 38 Cb 0.57 1.01 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1kjs h ALA 38 CO 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 178.78 1kjs n ALA 39 N -2.97 0.00 0.00 0.00 0.00 -0.73 -5.09 120.51 111.71 1kjs n ALA 39 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kjs n ALA 39 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.57 1kjs n ALA 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1kjs n ARG 40 N 0.00 0.00 -1.54 0.00 1.74 -1.25 -4.97 116.66 110.63 1kjs n ARG 40 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 1kjs n ARG 40 Cb 0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.34 1kjs n ARG 40 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1kjs n ILE 41 N 0.00 -0.02 -2.65 0.55 0.13 -1.26 -4.62 119.36 111.49 1kjs n ILE 41 Ca 0.00 -0.52 -0.13 0.00 -1.10 0.00 0.00 62.75 61.00 1kjs n ILE 41 Cb 0.00 -1.63 0.02 0.00 -0.84 0.00 0.00 39.64 37.19 1kjs n ILE 41 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1kjs n SER 42 N 15.03 2.04 -0.00 9.51 3.41 -1.26 -4.75 113.62 137.61 1kjs n SER 42 Ca 0.51 -2.92 0.03 0.00 -0.26 0.00 0.00 58.87 56.23 1kjs n SER 42 Cb 0.36 -0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 63.76 1kjs n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1kjs n LEU 43 N -0.12 0.28 0.00 1.04 4.32 -1.26 -5.09 117.00 116.17 1kjs n LEU 43 Ca 0.15 -0.48 0.00 0.00 -0.02 0.00 0.00 56.01 55.66 1kjs n LEU 43 Cb 0.78 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.58 1kjs n LEU 43 CO 0.28 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.13 1kjs n GLY 44 N 1.18 1.37 0.03 -0.72 0.00 -1.26 -4.95 105.19 100.85 1kjs n GLY 44 Ca 0.01 -1.29 -0.00 0.00 0.00 0.00 0.00 46.02 44.74 1kjs n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kjs h PRO 45 N 0.00 0.00 -1.18 1.61 0.13 -1.98 -3.27 132.00 127.31 1kjs h PRO 45 Ca 0.00 0.00 0.34 0.00 -0.87 0.00 0.00 66.00 65.47 1kjs h PRO 45 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 1kjs h PRO 45 CO 0.00 0.00 1.04 0.07 -0.23 0.00 0.00 178.00 178.88 1kjs h ARG 46 N -0.59 0.00 0.78 0.86 -0.00 -2.00 0.40 114.38 113.82 1kjs h ARG 46 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 59.94 1kjs h ARG 46 Cb 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 29.99 1kjs h ARG 46 CO 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 179.97 179.60 1kjs n ILE 48 N -5.49 -0.33 0.27 0.00 -0.00 0.13 0.17 119.36 114.11 1kjs n ILE 48 Ca -0.14 1.66 0.12 0.00 -0.00 0.00 0.00 62.75 64.39 1kjs n ILE 48 Cb 0.42 -2.09 0.18 0.00 -0.00 0.00 0.00 39.64 38.15 1kjs n ILE 48 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 1kjs h LYS 49 N 0.00 0.00 0.19 0.38 1.57 -1.66 -1.05 116.57 115.99 1kjs h LYS 49 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1kjs h LYS 49 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1kjs h LYS 49 CO -0.46 0.00 -0.09 0.00 -0.57 0.00 0.00 179.45 178.33 1kjs h ALA 50 N 2.09 -0.33 -0.38 3.86 0.00 0.24 -0.40 119.26 124.34 1kjs h ALA 50 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1kjs h ALA 50 Cb 0.96 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1kjs h ALA 50 CO 0.00 -0.31 0.18 0.27 0.00 0.00 0.00 179.25 179.39 1kjs h PHE 51 N -0.76 0.55 -0.97 0.00 -5.15 -0.27 -0.13 116.94 110.20 1kjs h PHE 51 Ca -0.03 -0.03 0.05 0.00 -0.20 0.00 0.00 57.97 57.77 1kjs h PHE 51 Cb 0.19 -0.17 -0.06 0.00 0.22 0.00 0.00 35.95 36.13 1kjs h PHE 51 CO 0.02 0.47 0.63 1.15 -2.00 0.00 0.00 178.31 178.58 1kjs h THR 52 N 0.47 1.12 -0.15 0.88 2.02 -1.22 0.38 112.91 116.40 1kjs h THR 52 Ca 0.13 -0.41 -0.13 0.00 0.77 0.00 0.00 66.41 66.77 1kjs h THR 52 Cb 0.13 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.36 1kjs h THR 52 CO -0.02 0.22 -0.46 -0.08 0.37 0.00 0.00 175.52 175.55 1kjs h GLU 53 N 1.18 0.39 0.00 6.66 4.57 -0.51 0.11 114.58 126.97 1kjs h GLU 53 Ca 0.41 -0.21 -0.08 0.00 -1.18 0.00 0.00 59.36 58.29 1kjs h GLU 53 Cb 0.09 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1kjs h GLU 53 CO -0.15 0.77 -0.65 0.00 -1.18 0.00 0.00 179.01 177.80 1kjs h VAL 56 N 0.01 1.55 -0.66 0.00 2.07 -0.78 0.55 116.25 118.99 1kjs h VAL 56 Ca -0.09 -2.49 -0.06 0.00 0.82 0.00 0.00 66.70 64.89 1kjs h VAL 56 Cb 1.84 3.22 -0.03 0.00 -1.52 0.00 0.00 31.29 34.80 1kjs h VAL 56 CO 0.12 0.69 0.20 -0.37 0.02 0.00 0.00 177.57 178.23 1kjs h VAL 57 N -0.52 1.25 0.00 2.57 -1.51 -1.28 0.43 116.25 117.19 1kjs h VAL 57 Ca -0.12 -0.88 -0.04 0.00 -1.23 0.00 0.00 66.70 64.43 1kjs h VAL 57 Cb 1.50 0.57 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 1kjs h VAL 57 CO 0.11 0.34 -0.18 0.00 -1.23 0.00 0.00 177.57 176.61 1kjs h ALA 58 N 1.08 1.31 -0.45 5.19 0.00 -0.96 -0.08 119.26 125.35 1kjs h ALA 58 Ca 0.21 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1kjs h ALA 58 Cb 0.31 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1kjs h ALA 58 CO -0.00 0.22 0.06 1.03 0.00 0.00 0.00 179.25 180.56 1kjs h SER 59 N 0.00 0.72 1.36 0.00 0.87 0.45 0.30 113.55 117.25 1kjs h SER 59 Ca -0.00 -0.27 -0.13 0.00 -1.23 0.00 0.00 61.79 60.16 1kjs h SER 59 Cb 0.43 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1kjs h SER 59 CO 0.02 0.81 -0.64 1.56 -0.53 0.00 0.00 176.83 178.05 1kjs h GLN 60 N 0.61 0.00 -0.01 2.24 4.20 -0.41 0.26 115.11 121.99 1kjs h GLN 60 Ca 0.13 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 1kjs h GLN 60 Cb 0.40 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1kjs h GLN 60 CO 0.01 0.62 -0.72 -0.07 -0.67 0.00 0.00 178.83 178.00 1kjs h LEU 61 N 0.00 0.11 0.00 1.46 3.38 -0.80 -0.39 115.31 119.07 1kjs h LEU 61 Ca -0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1kjs h LEU 61 Cb 1.48 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1kjs h LEU 61 CO 0.08 0.79 -1.49 -2.11 0.09 0.00 0.00 178.44 175.80 1kjs n ARG 62 N -3.73 0.36 0.00 1.13 1.85 0.07 -3.55 116.66 112.79 1kjs n ARG 62 Ca -0.02 -0.10 0.10 0.00 -1.00 0.00 0.00 57.85 56.84 1kjs n ARG 62 Cb 0.70 -1.53 -0.09 0.00 -1.05 0.00 0.00 32.46 30.49 1kjs n ARG 62 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1kjs n ALA 63 N -1.92 4.44 -0.11 2.89 0.00 0.89 -4.38 120.51 122.33 1kjs n ALA 63 Ca -0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 53.44 52.69 1kjs n ALA 63 Cb 0.46 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 19.02 1kjs n ALA 63 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1kjs n ASN 64 N -1.11 1.51 0.00 0.00 2.85 -0.16 -5.00 115.26 113.35 1kjs n ASN 64 Ca 0.05 -0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1kjs n ASN 64 Cb 0.37 0.11 0.00 0.00 1.24 0.00 0.00 39.78 41.49 1kjs n ASN 64 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1kjs n ILE 65 N -3.01 0.00 0.00 -1.44 2.08 -1.23 -5.08 119.36 110.67 1kjs n ILE 65 Ca -0.38 0.00 0.00 0.00 0.56 0.00 0.00 62.75 62.93 1kjs n ILE 65 Cb 1.01 -0.25 0.00 0.00 -0.75 0.00 0.00 39.64 39.65 1kjs n ILE 65 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1kjs n SER 66 N 0.00 0.00 0.00 4.38 3.41 -1.26 -4.83 113.62 115.32 1kjs n SER 66 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1kjs n SER 66 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1kjs n SER 66 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1kjs n HIS 67 N 0.00 0.00 -0.27 7.33 -0.00 -1.26 -4.58 115.22 116.44 1kjs n HIS 67 Ca 0.00 0.00 0.19 0.00 0.46 0.00 0.00 57.72 58.37 1kjs n HIS 67 Cb 0.00 0.00 0.36 0.00 -0.12 0.00 0.00 29.99 30.23 1kjs n HIS 67 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1kjs n LYS 68 N 0.00 -0.06 0.28 1.57 5.02 -1.26 0.18 118.16 123.89 1kjs n LYS 68 Ca 0.00 1.16 -0.15 0.00 -2.02 0.00 0.00 58.31 57.30 1kjs n LYS 68 Cb 0.00 -1.96 -0.08 0.00 -0.02 0.00 0.00 35.03 32.97 1kjs n LYS 68 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1kjs h ASP 69 N 0.00 -0.60 0.07 4.39 1.82 -1.93 0.13 116.42 120.30 1kjs h ASP 69 Ca 0.59 -0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 57.17 1kjs h ASP 69 Cb 1.42 0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.59 1kjs h ASP 69 CO -0.69 -0.27 -0.03 -0.03 -1.61 0.00 0.00 179.24 176.61 1kjs h MET 70 N -0.96 -0.09 -1.00 0.28 4.05 0.98 2.30 114.93 120.50 1kjs h MET 70 Ca -0.07 0.01 0.38 0.00 -0.28 0.00 0.00 59.70 59.73 1kjs h MET 70 Cb 0.62 0.02 -0.17 0.00 -0.80 0.00 0.00 31.60 31.27 1kjs h MET 70 CO 0.12 -0.06 0.49 0.37 0.23 0.00 0.00 176.91 178.07 1kjs h GLN 71 N -0.18 0.07 0.00 0.39 5.75 0.17 0.49 115.11 121.81 1kjs h GLN 71 Ca -0.01 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1kjs h GLN 71 Cb 0.07 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.60 1kjs h GLN 71 CO 0.01 0.05 0.00 1.28 -2.65 0.00 0.00 178.83 177.52 1kjs n LEU 72 N -5.24 0.00 -0.67 -2.39 4.32 -0.11 -4.53 117.00 108.37 1kjs n LEU 72 Ca 0.35 0.00 0.52 0.00 -0.02 0.00 0.00 56.01 56.86 1kjs n LEU 72 Cb 1.16 -0.17 0.82 0.00 -1.62 0.00 0.00 43.42 43.61 1kjs n LEU 72 CO 0.02 -0.24 1.47 1.23 -1.22 0.00 0.00 177.39 178.66 1kjs h GLY 73 N 0.00 0.07 0.00 -0.72 0.00 1.89 -3.30 103.07 101.01 1kjs h GLY 73 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1kjs h GLY 73 CO 0.00 -0.03 0.00 -0.96 0.00 0.00 0.00 176.54 175.55