#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 0.00 0.00 4.03 7.94 -1.24 0.32 117.00 128.05 1kjs n LEU 2 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1kjs n LEU 2 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1kjs n LEU 2 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 1kjs n GLN 3 N -0.63 0.00 -0.03 1.96 10.64 -1.26 -4.74 117.38 123.32 1kjs n GLN 3 Ca 0.04 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.17 1kjs n GLN 3 Cb 0.02 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.39 1kjs n GLN 3 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1kjs n LYS 4 N 0.00 0.20 0.14 2.61 3.00 -1.25 -3.04 118.16 119.82 1kjs n LYS 4 Ca 0.00 0.08 0.11 0.00 -0.00 0.00 0.00 58.31 58.50 1kjs n LYS 4 Cb 0.00 -0.84 0.52 0.00 0.00 0.00 0.00 35.03 34.71 1kjs n LYS 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1kjs n LYS 5 N -3.29 0.16 -0.11 1.64 5.02 -1.26 -1.87 118.16 118.45 1kjs n LYS 5 Ca -0.05 0.51 -0.14 0.00 -2.02 0.00 0.00 58.31 56.61 1kjs n LYS 5 Cb 0.20 -1.89 -0.14 0.00 -0.02 0.00 0.00 35.03 33.18 1kjs n LYS 5 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1kjs n ILE 6 N -2.22 1.41 0.43 -0.18 2.08 -1.26 -3.93 119.36 115.69 1kjs n ILE 6 Ca 0.01 -0.71 0.13 0.00 0.56 0.00 0.00 62.75 62.74 1kjs n ILE 6 Cb 0.14 -0.91 0.47 0.00 -0.75 0.00 0.00 39.64 38.60 1kjs n ILE 6 CO 0.00 0.00 0.00 1.05 0.56 0.00 0.00 176.55 178.16 1kjs h GLU 7 N 0.00 0.00 0.17 0.38 -0.00 -1.41 -1.31 114.58 112.42 1kjs h GLU 7 Ca -0.55 0.00 -0.32 0.00 -0.00 0.00 0.00 59.36 58.49 1kjs h GLU 7 Cb 2.07 0.00 0.03 0.00 -0.00 0.00 0.00 28.75 30.85 1kjs h GLU 7 CO -0.03 0.00 -1.34 1.05 -0.00 0.00 0.00 179.01 178.69 1kjs h GLU 8 N 0.00 0.60 0.06 1.06 4.11 -1.53 -0.84 114.58 118.04 1kjs h GLU 8 Ca 0.00 -0.88 -0.25 0.00 0.07 0.00 0.00 59.36 58.30 1kjs h GLU 8 Cb 0.54 0.31 0.00 0.00 0.50 0.00 0.00 28.75 30.10 1kjs h GLU 8 CO 0.00 1.41 -1.09 0.97 0.07 0.00 0.00 179.01 180.37 1kjs h ILE 9 N 0.23 1.44 -0.16 -1.06 6.09 -1.63 0.95 117.51 123.36 1kjs h ILE 9 Ca -0.22 -2.71 -0.06 0.00 -1.37 0.00 0.00 64.86 60.50 1kjs h ILE 9 Cb 2.02 2.66 -0.00 0.00 0.47 0.00 0.00 36.82 41.97 1kjs h ILE 9 CO 0.26 0.80 -0.13 0.00 -3.07 0.00 0.00 178.15 176.00 1kjs h ALA 10 N 0.65 0.23 0.00 0.18 0.00 -1.32 -2.98 119.26 116.03 1kjs h ALA 10 Ca -0.11 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1kjs h ALA 10 Cb 1.76 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 1kjs h ALA 10 CO 0.18 0.10 -0.52 0.00 0.00 0.00 0.00 179.25 179.01 1kjs h ALA 11 N 0.64 1.02 -0.47 0.00 0.00 -1.20 -3.07 119.26 116.18 1kjs h ALA 11 Ca 0.03 -0.47 -0.36 0.00 0.00 0.00 0.00 54.91 54.10 1kjs h ALA 11 Cb 0.65 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.21 1kjs h ALA 11 CO 0.03 0.65 0.39 0.36 0.00 0.00 0.00 179.25 180.68 1kjs n LYS 12 N -3.74 1.95 -4.52 0.00 -0.00 0.33 -4.87 118.16 107.31 1kjs n LYS 12 Ca -0.01 -1.73 -0.34 0.00 -0.00 0.00 0.00 58.31 56.23 1kjs n LYS 12 Cb 0.56 -1.75 -0.11 0.00 -0.00 0.00 0.00 35.03 33.73 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 -1.70 3.01 -0.22 5.58 2.02 -1.16 -4.92 117.35 119.96 1kjs s TYR 13 Ca 0.39 0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 57.10 1kjs s TYR 13 Cb 0.28 -1.77 0.18 0.00 -0.40 0.00 0.00 41.96 40.24 1kjs s TYR 13 CO -0.06 0.31 1.86 1.63 -1.57 0.00 0.00 175.55 177.72 1kjs n LYS 14 N 2.43 1.56 -3.15 -0.62 4.76 -1.26 -4.63 118.16 117.24 1kjs n LYS 14 Ca -0.18 -1.14 0.04 0.00 -2.87 0.00 0.00 58.31 54.16 1kjs n LYS 14 Cb 0.53 -1.45 -0.00 0.00 -1.84 0.00 0.00 35.03 32.27 1kjs n LYS 14 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1kjs s HIS 15 N -1.31 -1.66 0.50 2.13 2.46 -1.26 -5.01 115.29 111.14 1kjs s HIS 15 Ca 0.22 1.29 0.43 0.00 0.47 0.00 0.00 55.06 57.47 1kjs s HIS 15 Cb 0.18 0.41 1.60 0.00 -0.13 0.00 0.00 32.58 34.63 1kjs s HIS 15 CO 0.01 -0.94 1.51 0.45 -2.47 0.00 0.00 174.74 173.30 1kjs n SER 16 N 5.41 0.08 -0.06 9.88 2.88 -1.26 0.34 113.62 130.89 1kjs n SER 16 Ca 0.02 1.11 -0.16 0.00 -1.33 0.00 0.00 58.87 58.51 1kjs n SER 16 Cb 0.53 -0.55 -0.06 0.00 -0.75 0.00 0.00 64.21 63.38 1kjs n SER 16 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1kjs h VAL 17 N 0.00 1.30 -0.36 2.46 2.07 -1.96 -2.90 116.25 116.86 1kjs h VAL 17 Ca 0.89 -1.77 0.10 0.00 0.82 0.00 0.00 66.70 66.75 1kjs h VAL 17 Cb 3.33 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 34.92 1kjs h VAL 17 CO -0.18 0.56 0.57 0.58 0.02 0.00 0.00 177.57 179.13 1kjs h VAL 18 N 0.49 0.18 0.53 2.57 2.07 -0.47 -1.70 116.25 119.92 1kjs h VAL 18 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1kjs h VAL 18 Cb 1.18 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1kjs h VAL 18 CO 0.12 0.00 -0.31 0.50 0.02 0.00 0.00 177.57 177.90 1kjs h LYS 19 N 0.00 -0.75 -0.74 1.57 3.64 -1.55 -1.56 116.57 117.18 1kjs h LYS 19 Ca 0.17 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.72 1kjs h LYS 19 Cb 1.31 0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 33.22 1kjs h LYS 19 CO -0.00 -0.50 0.35 -0.22 -2.27 0.00 0.00 179.45 176.81 1kjs h LYS 20 N -0.78 0.54 -0.27 1.90 1.63 -1.49 0.66 116.57 118.77 1kjs h LYS 20 Ca -0.07 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.76 1kjs h LYS 20 Cb 0.62 -0.12 -0.07 0.00 -0.60 0.00 0.00 32.23 32.05 1kjs h LYS 20 CO 0.08 0.36 -0.25 0.00 -3.45 0.00 0.00 179.45 176.19 1kjs h TYR 23 N 0.00 0.05 -0.05 0.00 0.05 0.19 -1.56 116.97 115.65 1kjs h TYR 23 Ca -0.00 -0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 1kjs h TYR 23 Cb 0.58 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.30 1kjs h TYR 23 CO 0.00 0.24 -0.09 -0.44 -1.05 0.00 0.00 178.16 176.82 1kjs h ASP 24 N -0.16 0.17 -0.86 3.88 3.32 -1.09 -0.35 116.42 121.34 1kjs h ASP 24 Ca 0.01 -0.56 0.12 0.00 0.02 0.00 0.00 57.03 56.63 1kjs h ASP 24 Cb 0.22 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 39.58 1kjs h ASP 24 CO -0.00 0.69 -0.43 1.23 -1.72 0.00 0.00 179.24 179.01 1kjs h GLY 25 N -0.35 -0.22 1.70 2.75 0.00 -1.26 2.09 103.07 107.78 1kjs h GLY 25 Ca 0.00 0.57 -0.09 0.00 0.00 0.00 0.00 47.33 47.81 1kjs h GLY 25 CO 0.02 -0.15 -0.28 0.00 0.00 0.00 0.00 176.54 176.13 1kjs h ALA 26 N 1.02 1.18 -0.25 3.60 0.00 -1.27 -1.75 119.26 121.79 1kjs h ALA 26 Ca 0.27 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1kjs h ALA 26 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1kjs h ALA 26 CO -0.88 0.53 0.00 0.00 0.00 0.00 0.00 179.25 178.90 1kjs n VAL 28 N 0.26 0.12 0.00 0.00 3.14 0.61 -4.78 118.33 117.69 1kjs n VAL 28 Ca 0.09 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.44 1kjs n VAL 28 Cb 0.36 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.14 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 0.53 0.00 0.07 6.55 5.15 -1.26 -4.88 115.26 121.42 1kjs n ASN 29 Ca 0.07 0.71 0.00 0.00 -0.60 0.00 0.00 54.58 54.76 1kjs n ASN 29 Cb 0.04 -0.22 0.00 0.00 -0.53 0.00 0.00 39.78 39.06 1kjs n ASN 29 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1kjs n ASN 30 N -1.89 -1.23 -4.67 1.20 5.15 -1.26 -5.11 115.26 107.45 1kjs n ASN 30 Ca 0.00 0.31 -0.44 0.00 -0.60 0.00 0.00 54.58 53.85 1kjs n ASN 30 Cb 0.00 1.41 -0.02 0.00 -0.53 0.00 0.00 39.78 40.65 1kjs n ASN 30 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1kjs n ASP 31 N -2.66 2.49 -0.04 1.20 8.00 -1.26 -4.85 116.55 119.43 1kjs n ASP 31 Ca 0.00 1.18 -0.01 0.00 0.71 0.00 0.00 54.79 56.67 1kjs n ASP 31 Cb 0.00 -1.43 -0.01 0.00 -0.02 0.00 0.00 41.12 39.66 1kjs n ASP 31 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1kjs n GLU 32 N 1.12 -0.04 -1.49 -1.24 1.02 -1.26 -3.54 120.64 115.21 1kjs n GLU 32 Ca 0.08 0.67 -0.16 0.00 -0.02 0.00 0.00 57.16 57.73 1kjs n GLU 32 Cb 0.33 -1.00 -0.13 0.00 -0.02 0.00 0.00 31.44 30.62 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 -2.95 0.00 0.00 2.62 -2.24 -1.26 -4.80 114.28 105.65 1kjs n THR 33 Ca 0.00 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1kjs n THR 33 Cb 0.02 -0.99 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 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 0.60 -0.95 0.00 4.39 -1.93 0.39 114.58 117.07 1kjs h GLU 35 Ca 0.00 -0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.82 1kjs h GLU 35 Cb 0.00 -0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 28.42 1kjs h GLU 35 CO 0.00 0.39 0.57 1.96 -1.16 0.00 0.00 179.01 180.77 1kjs h GLN 36 N 0.61 0.78 -0.25 2.33 4.20 -1.93 1.33 115.11 122.19 1kjs h GLN 36 Ca 0.23 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.76 1kjs h GLN 36 Cb 0.14 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1kjs h GLN 36 CO -0.06 0.51 -0.38 -0.09 -0.67 0.00 0.00 178.83 178.15 1kjs h ARG 37 N 0.80 0.56 0.00 1.46 9.65 0.27 -3.23 114.38 123.89 1kjs h ARG 37 Ca 0.51 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 59.12 1kjs h ARG 37 Cb 0.68 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1kjs h ARG 37 CO -0.33 0.85 0.00 0.00 2.80 0.00 0.00 179.97 183.29 1kjs n ALA 38 N -2.50 -0.12 0.00 2.80 0.00 0.45 -4.88 120.51 116.26 1kjs n ALA 38 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1kjs n ALA 38 Cb 0.50 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.27 1kjs n ALA 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kjs n ALA 39 N -2.35 0.00 0.00 0.00 0.00 -0.65 -5.09 120.51 112.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.52 0.00 1.74 -1.25 -4.98 116.66 110.65 1kjs n ARG 40 Ca 0.00 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.73 1kjs n ARG 40 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 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 -2.69 0.55 0.13 -1.26 -4.65 119.36 111.41 1kjs n ILE 41 Ca 0.00 -0.30 -0.11 0.00 -1.10 0.00 0.00 62.75 61.25 1kjs n ILE 41 Cb 0.00 -1.09 0.02 0.00 -0.84 0.00 0.00 39.64 37.74 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 11.65 1.59 -0.04 9.51 3.41 -1.26 -4.77 113.62 133.71 1kjs n SER 42 Ca 0.58 -2.79 0.02 0.00 -0.26 0.00 0.00 58.87 56.42 1kjs n SER 42 Cb 0.20 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.60 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 -0.06 0.43 0.00 1.04 4.77 -1.26 -5.10 117.00 116.82 1kjs n LEU 43 Ca 0.12 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1kjs n LEU 43 Cb 0.80 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1kjs n LEU 43 CO 0.27 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1kjs n GLY 44 N 0.94 1.38 0.03 -0.72 0.00 -1.26 -4.92 105.19 100.65 1kjs n GLY 44 Ca 0.01 -1.50 -0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.03 1.61 0.13 -1.98 -3.22 132.00 127.50 1kjs h PRO 45 Ca 0.00 0.00 0.30 0.00 -0.87 0.00 0.00 66.00 65.43 1kjs h PRO 45 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1kjs h PRO 45 CO 0.00 -0.00 0.95 0.07 -0.23 0.00 0.00 178.00 178.79 1kjs h ARG 46 N -0.61 0.00 0.18 0.86 -0.00 -2.00 0.18 114.38 112.99 1kjs h ARG 46 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.97 1kjs h ARG 46 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.98 1kjs h ARG 46 CO 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 179.97 179.88 1kjs n ILE 48 N -5.07 -0.25 0.20 0.00 2.08 0.65 0.10 119.36 117.07 1kjs n ILE 48 Ca -0.09 1.69 0.10 0.00 0.56 0.00 0.00 62.75 65.01 1kjs n ILE 48 Cb 0.22 -2.16 0.14 0.00 -0.75 0.00 0.00 39.64 37.08 1kjs n ILE 48 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 1kjs h LYS 49 N 0.00 0.00 0.26 0.38 3.64 -1.67 -1.07 116.57 118.11 1kjs h LYS 49 Ca 0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1kjs h LYS 49 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1kjs h LYS 49 CO -0.34 0.07 -0.13 0.00 -2.27 0.00 0.00 179.45 176.78 1kjs h ALA 50 N 1.92 -0.51 -0.10 5.00 0.00 0.11 -0.52 119.26 125.16 1kjs h ALA 50 Ca -0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1kjs h ALA 50 Cb 1.06 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1kjs h ALA 50 CO 0.01 -0.48 0.05 0.27 0.00 0.00 0.00 179.25 179.09 1kjs h PHE 51 N -0.71 0.15 -0.82 0.00 -5.15 -0.37 -0.92 116.94 109.11 1kjs h PHE 51 Ca -0.04 -0.01 0.10 0.00 -0.20 0.00 0.00 57.97 57.83 1kjs h PHE 51 Cb 0.27 -0.05 -0.08 0.00 0.22 0.00 0.00 35.95 36.32 1kjs h PHE 51 CO 0.04 0.22 0.46 1.15 -2.00 0.00 0.00 178.31 178.17 1kjs h THR 52 N 0.04 0.88 -0.48 0.88 2.02 -1.22 0.30 112.91 115.33 1kjs h THR 52 Ca 0.03 -0.26 -0.13 0.00 0.77 0.00 0.00 66.41 66.83 1kjs h THR 52 Cb 0.13 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1kjs h THR 52 CO -0.00 0.14 -0.20 -0.08 0.37 0.00 0.00 175.52 175.74 1kjs h GLU 53 N 0.76 0.98 0.00 6.66 4.57 -0.76 0.14 114.58 126.93 1kjs h GLU 53 Ca 0.41 -0.41 -0.10 0.00 -1.18 0.00 0.00 59.36 58.07 1kjs h GLU 53 Cb 0.41 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1kjs h GLU 53 CO -0.27 1.09 -0.46 0.00 -1.18 0.00 0.00 179.01 178.19 1kjs h VAL 56 N 0.00 1.46 -0.36 0.00 2.07 -0.67 0.56 116.25 119.31 1kjs h VAL 56 Ca -0.11 -2.55 -0.07 0.00 0.82 0.00 0.00 66.70 64.79 1kjs h VAL 56 Cb 1.65 3.16 -0.01 0.00 -1.52 0.00 0.00 31.29 34.56 1kjs h VAL 56 CO 0.08 0.73 -0.06 -0.37 0.02 0.00 0.00 177.57 177.96 1kjs h VAL 57 N -0.31 1.27 0.00 2.57 -1.51 -1.31 1.00 116.25 117.96 1kjs h VAL 57 Ca -0.17 -1.11 -0.03 0.00 -1.23 0.00 0.00 66.70 64.16 1kjs h VAL 57 Cb 1.71 1.26 -0.00 0.00 -2.13 0.00 0.00 31.29 32.13 1kjs h VAL 57 CO 0.16 0.37 -0.13 0.00 -1.23 0.00 0.00 177.57 176.74 1kjs h ALA 58 N 0.83 1.48 0.28 5.19 0.00 -1.07 -0.04 119.26 125.93 1kjs h ALA 58 Ca 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1kjs h ALA 58 Cb 0.56 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1kjs h ALA 58 CO 0.03 0.16 -0.13 1.03 0.00 0.00 0.00 179.25 180.34 1kjs h SER 59 N 0.00 -0.31 0.86 0.00 0.87 0.26 -0.27 113.55 114.95 1kjs h SER 59 Ca -0.00 -0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1kjs h SER 59 Cb 0.29 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1kjs h SER 59 CO 0.02 -0.15 -0.26 1.56 -0.53 0.00 0.00 176.83 177.47 1kjs h GLN 60 N -0.46 0.00 -0.22 2.24 4.20 -0.62 0.43 115.11 120.68 1kjs h GLN 60 Ca -0.04 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 1kjs h GLN 60 Cb 0.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1kjs h GLN 60 CO 0.06 0.26 -0.44 -0.07 -0.67 0.00 0.00 178.83 177.97 1kjs h LEU 61 N 0.00 0.58 -0.33 1.46 3.38 -0.59 -3.03 115.31 116.78 1kjs h LEU 61 Ca -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1kjs h LEU 61 Cb 0.76 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1kjs h LEU 61 CO 0.03 0.94 -0.82 -2.11 0.09 0.00 0.00 178.44 176.57 1kjs n ARG 62 N -4.01 0.40 -1.08 1.13 1.85 -0.15 -3.87 116.66 110.93 1kjs n ARG 62 Ca -0.02 -0.33 -0.12 0.00 -1.00 0.00 0.00 57.85 56.38 1kjs n ARG 62 Cb 0.53 -1.49 0.26 0.00 -1.05 0.00 0.00 32.46 30.71 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 -1.01 4.91 -0.53 2.89 0.00 0.15 -4.75 120.51 122.16 1kjs n ALA 63 Ca 0.06 -2.56 0.00 0.00 0.00 0.00 0.00 53.44 50.93 1kjs n ALA 63 Cb 0.38 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1kjs n ALA 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1kjs n ASN 64 N -0.52 0.00 -3.13 0.00 3.02 -1.20 -4.94 115.26 108.49 1kjs n ASN 64 Ca 0.47 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.84 1kjs n ASN 64 Cb 1.47 0.20 0.17 0.00 -0.61 0.00 0.00 39.78 41.01 1kjs n ASN 64 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1kjs n ILE 65 N -1.71 0.00 -2.31 2.41 2.08 -1.25 -5.00 119.36 113.58 1kjs n ILE 65 Ca 0.00 -0.02 -0.01 0.00 0.56 0.00 0.00 62.75 63.27 1kjs n ILE 65 Cb 0.00 -0.62 0.03 0.00 -0.75 0.00 0.00 39.64 38.30 1kjs n ILE 65 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1kjs n SER 66 N -4.61 -0.55 0.00 4.38 2.88 -1.26 -4.75 113.62 109.71 1kjs n SER 66 Ca 0.08 -1.30 0.00 0.00 -1.33 0.00 0.00 58.87 56.33 1kjs n SER 66 Cb 0.35 0.24 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1kjs n SER 66 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1kjs n HIS 67 N -0.45 0.00 -0.31 0.66 -0.00 -1.26 -4.59 115.22 109.28 1kjs n HIS 67 Ca -0.09 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.69 1kjs n HIS 67 Cb 0.59 0.00 0.15 0.00 -0.00 0.00 0.00 29.99 30.73 1kjs n HIS 67 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.34 177.21 1kjs h LYS 68 N 0.00 0.02 0.49 1.57 1.79 -2.00 2.32 116.57 120.76 1kjs h LYS 68 Ca 0.00 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1kjs h LYS 68 Cb 0.00 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1kjs h LYS 68 CO 0.00 0.01 -0.23 -0.44 -1.08 0.00 0.00 179.45 177.71 1kjs h ASP 69 N 0.02 -0.55 0.00 0.86 3.32 -1.93 0.45 116.42 118.59 1kjs h ASP 69 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.51 1kjs h ASP 69 Cb 0.75 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.44 1kjs h ASP 69 CO -0.88 -0.38 0.00 0.80 -1.72 0.00 0.00 179.24 177.07 1kjs n MET 70 N -5.36 0.00 -0.43 3.56 1.56 0.97 0.23 117.12 117.65 1kjs n MET 70 Ca -0.12 0.33 0.36 0.00 -0.27 0.00 0.00 57.70 58.01 1kjs n MET 70 Cb 0.28 -0.97 0.60 0.00 2.15 0.00 0.00 33.22 35.28 1kjs n MET 70 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1kjs n GLN 71 N -1.50 -0.03 0.00 2.12 7.27 0.74 0.03 117.38 126.02 1kjs n GLN 71 Ca 0.00 1.07 0.00 0.00 0.07 0.00 0.00 57.00 58.14 1kjs n GLN 71 Cb 0.00 -2.14 0.00 0.00 2.41 0.00 0.00 30.24 30.51 1kjs n GLN 71 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1kjs n LEU 72 N -4.35 0.00 -0.29 1.69 4.32 -0.00 -4.67 117.00 113.70 1kjs n LEU 72 Ca 0.35 0.00 0.21 0.00 -0.02 0.00 0.00 56.01 56.56 1kjs n LEU 72 Cb 1.40 -0.10 0.40 0.00 -1.62 0.00 0.00 43.42 43.50 1kjs n LEU 72 CO 0.18 -0.20 0.82 0.61 -1.22 0.00 0.00 177.39 177.59 1kjs n GLY 73 N 2.97 -0.90 0.84 -0.72 0.00 0.95 -3.66 105.19 104.67 1kjs n GLY 73 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1kjs n GLY 73 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36