#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxb n THR 3 N 0.00 0.85 -1.30 -0.44 5.66 -1.26 -4.40 114.28 113.40 3jxb n THR 3 Ca 0.00 -0.93 -0.27 0.00 -3.05 0.00 0.00 64.05 59.80 3jxb n THR 3 Cb 0.00 0.59 0.21 0.00 -1.55 0.00 0.00 70.33 69.59 3jxb n THR 3 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3jxb n GLN 4 N 0.14 -2.32 -2.86 1.09 6.02 -1.26 -5.04 117.38 113.13 3jxb n GLN 4 Ca 0.06 -1.69 -0.30 0.00 -0.01 0.00 0.00 57.00 55.06 3jxb n GLN 4 Cb 0.33 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 3jxb n GLN 4 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3jxb s LEU 5 N 0.00 3.83 0.27 1.08 1.43 -1.26 -4.96 118.68 119.07 3jxb s LEU 5 Ca 0.66 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 3jxb s LEU 5 Cb -0.05 -4.00 0.61 0.00 0.03 0.00 0.00 46.19 42.78 3jxb s LEU 5 CO 0.49 -0.40 1.70 -0.03 0.23 0.00 0.00 176.35 178.35 3jxb h MET 6 N 1.26 0.38 -0.82 1.70 1.85 -1.81 -1.08 114.93 116.42 3jxb h MET 6 Ca -0.47 -0.02 0.05 0.00 -0.61 0.00 0.00 59.70 58.64 3jxb h MET 6 Cb 1.19 -0.09 -0.05 0.00 0.43 0.00 0.00 31.60 33.08 3jxb h MET 6 CO 0.64 0.25 0.54 0.78 -0.40 0.00 0.00 176.91 178.72 3jxb h GLY 7 N 0.39 1.16 1.21 1.39 0.00 -1.78 0.20 103.07 105.63 3jxb h GLY 7 Ca 0.50 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 47.35 3jxb h GLY 7 CO -0.50 0.31 -0.02 0.83 0.00 0.00 0.00 176.54 177.17 3jxb h GLU 8 N 0.97 0.95 -0.29 4.80 5.08 -1.33 -1.36 114.58 123.41 3jxb h GLU 8 Ca 0.34 -0.29 -0.17 0.00 -1.00 0.00 0.00 59.36 58.24 3jxb h GLU 8 Cb 0.11 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3jxb h GLU 8 CO -0.11 0.95 -0.48 0.00 -1.00 0.00 0.00 179.01 178.37 3jxb h ARG 9 N 0.87 0.79 -0.07 2.33 3.08 -0.87 -1.36 114.38 119.15 3jxb h ARG 9 Ca 0.16 -0.46 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 3jxb h ARG 9 Cb 0.54 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 3jxb h ARG 9 CO 0.03 1.09 0.04 0.82 -1.07 0.00 0.00 179.97 180.88 3jxb h ILE 10 N 0.62 1.10 -0.64 2.04 2.04 -0.90 -2.12 117.51 119.66 3jxb h ILE 10 Ca 0.03 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 3jxb h ILE 10 Cb 1.06 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 38.28 3jxb h ILE 10 CO 0.11 0.09 0.20 -0.09 0.00 0.00 0.00 178.15 178.45 3jxb h ARG 11 N 0.00 0.99 -0.81 2.37 2.43 -1.18 -0.40 114.38 117.78 3jxb h ARG 11 Ca 0.03 -0.21 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 3jxb h ARG 11 Cb 0.11 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3jxb h ARG 11 CO -0.00 0.87 0.42 0.00 -1.51 0.00 0.00 179.97 179.75 3jxb h ALA 12 N 1.07 1.04 -0.14 2.80 0.00 -1.17 -0.21 119.26 122.64 3jxb h ALA 12 Ca 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3jxb h ALA 12 Cb 0.30 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3jxb h ALA 12 CO -0.01 0.57 -0.13 -0.09 0.00 0.00 0.00 179.25 179.60 3jxb h ARG 13 N 1.13 0.34 -0.45 0.00 9.65 -1.10 -1.30 114.38 122.65 3jxb h ARG 13 Ca 0.28 -0.17 0.05 0.00 -1.10 0.00 0.00 59.98 59.04 3jxb h ARG 13 Cb 0.06 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.60 3jxb h ARG 13 CO -0.04 0.71 0.18 -0.09 2.80 0.00 0.00 179.97 183.53 3jxb h ARG 14 N -0.03 0.35 -0.30 0.20 2.43 -0.83 -1.46 114.38 114.74 3jxb h ARG 14 Ca 0.03 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 3jxb h ARG 14 Cb 0.64 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3jxb h ARG 14 CO 0.03 0.23 -0.25 0.87 -1.51 0.00 0.00 179.97 179.35 3jxb h LYS 15 N 0.36 0.59 -0.63 0.20 1.57 -1.00 -1.43 116.57 116.23 3jxb h LYS 15 Ca 0.21 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 3jxb h LYS 15 Cb 0.18 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 3jxb h LYS 15 CO -0.20 0.79 0.17 -0.22 -0.57 0.00 0.00 179.45 179.42 3jxb h LYS 16 N 0.52 0.98 -0.00 3.15 1.63 -0.67 -1.61 116.57 120.57 3jxb h LYS 16 Ca 0.07 -0.21 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 3jxb h LYS 16 Cb 0.70 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 3jxb h LYS 16 CO 0.05 0.86 -0.00 1.28 -3.45 0.00 0.00 179.45 178.19 3jxb n LEU 17 N -4.26 0.01 -3.25 5.20 4.32 -0.60 -4.92 117.00 113.49 3jxb n LEU 17 Ca 0.05 0.36 -0.21 0.00 -0.02 0.00 0.00 56.01 56.19 3jxb n LEU 17 Cb 0.23 -0.36 0.07 0.00 -1.62 0.00 0.00 43.42 41.75 3jxb n LEU 17 CO 0.41 0.00 0.21 0.29 -1.22 0.00 0.00 177.39 177.08 3jxb n LYS 18 N -1.36 -7.01 -4.17 3.23 5.02 -0.59 -5.01 118.16 108.27 3jxb n LYS 18 Ca 0.12 0.74 -0.35 0.00 -2.02 0.00 0.00 58.31 56.80 3jxb n LYS 18 Cb 0.28 -5.52 -0.09 0.00 -0.02 0.00 0.00 35.03 29.68 3jxb n LYS 18 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3jxb s ILE 19 N -3.29 4.65 0.67 -0.18 1.01 -0.90 -5.04 121.20 118.11 3jxb s ILE 19 Ca 0.47 -0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.91 3jxb s ILE 19 Cb -0.21 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 3jxb s ILE 19 CO 0.65 0.56 1.06 -0.13 0.00 0.00 0.00 174.94 177.08 3jxb s ARG 20 N -0.45 3.18 0.16 2.79 1.81 -1.26 -4.57 118.95 120.61 3jxb s ARG 20 Ca 0.09 0.63 -0.15 0.00 -1.72 0.00 0.00 55.73 54.58 3jxb s ARG 20 Cb -0.12 -2.04 0.05 0.00 -0.45 0.00 0.00 34.95 32.39 3jxb s ARG 20 CO 0.02 -0.84 1.82 1.96 -0.68 0.00 0.00 175.30 177.58 3jxb h GLN 21 N -0.52 0.56 -0.66 3.54 4.20 -1.98 -0.74 115.11 119.51 3jxb h GLN 21 Ca -0.45 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.20 3jxb h GLN 21 Cb 1.22 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.85 3jxb h GLN 21 CO 0.62 0.37 0.28 0.00 -0.67 0.00 0.00 178.83 179.43 3jxb h ALA 22 N 1.18 0.86 -0.64 3.87 0.00 -1.93 0.19 119.26 122.79 3jxb h ALA 22 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3jxb h ALA 22 Cb -0.03 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3jxb h ALA 22 CO -0.06 0.47 0.27 0.00 0.00 0.00 0.00 179.25 179.93 3jxb h ALA 23 N 1.12 0.83 -0.63 0.00 0.00 -1.86 -1.64 119.26 117.09 3jxb h ALA 23 Ca 0.22 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3jxb h ALA 23 Cb 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3jxb h ALA 23 CO -0.02 0.44 0.21 1.25 0.00 0.00 0.00 179.25 181.13 3jxb h LEU 24 N 0.90 0.91 -0.38 0.00 5.85 -0.45 -2.26 115.31 119.88 3jxb h LEU 24 Ca 0.22 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3jxb h LEU 24 Cb 0.19 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 3jxb h LEU 24 CO -0.02 0.87 -0.05 1.23 -0.34 0.00 0.00 178.44 180.12 3jxb h GLY 25 N 0.90 0.32 0.59 3.75 0.00 -0.34 -1.23 103.07 107.06 3jxb h GLY 25 Ca 0.21 0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.71 3jxb h GLY 25 CO -0.01 -0.12 0.51 0.50 0.00 0.00 0.00 176.54 177.42 3jxb h LYS 26 N 0.04 0.85 -0.14 4.80 6.56 -1.04 0.32 116.57 127.96 3jxb h LYS 26 Ca 0.18 -0.05 -0.09 0.00 -1.06 0.00 0.00 60.65 59.64 3jxb h LYS 26 Cb 0.27 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.73 3jxb h LYS 26 CO -0.36 0.56 -0.30 0.52 -2.06 0.00 0.00 179.45 177.81 3jxb h MET 27 N 0.87 0.27 0.01 3.15 2.86 -0.81 -3.26 114.93 118.02 3jxb h MET 27 Ca 0.40 -0.10 -0.32 0.00 -2.06 0.00 0.00 59.70 57.62 3jxb h MET 27 Cb 0.31 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.90 3jxb h MET 27 CO -0.22 0.55 -1.89 0.28 1.06 0.00 0.00 176.91 176.69 3jxb n VAL 28 N -4.12 1.58 -0.05 -2.22 0.31 -0.52 -4.95 118.33 108.36 3jxb n VAL 28 Ca -0.01 -0.79 0.00 0.00 -0.01 0.00 0.00 64.34 63.53 3jxb n VAL 28 Cb 0.40 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 32.34 3jxb n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jxb n GLY 29 N 1.65 1.93 3.28 2.92 0.00 0.95 -4.84 105.19 111.09 3jxb n GLY 29 Ca -0.22 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 3jxb n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jxb s VAL 30 N -2.00 0.39 0.74 1.61 -7.23 -0.12 -5.03 120.40 108.77 3jxb s VAL 30 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.07 3jxb s VAL 30 Cb 0.00 -2.57 0.04 0.00 0.56 0.00 0.00 36.38 34.41 3jxb s VAL 30 CO 0.00 -0.03 1.08 -0.94 -0.31 0.00 0.00 175.10 174.90 3jxb s SER 31 N -3.26 4.86 0.50 4.85 1.04 -1.26 -3.76 113.70 116.66 3jxb s SER 31 Ca 0.37 1.74 0.20 0.00 0.48 0.00 0.00 55.95 58.75 3jxb s SER 31 Cb 0.08 -2.51 1.27 0.00 0.10 0.00 0.00 66.02 64.95 3jxb s SER 31 CO 0.13 -1.80 2.01 -0.55 0.98 0.00 0.00 173.24 174.01 3jxb h ASN 32 N -0.95 0.11 -0.54 7.02 -1.07 -1.84 -2.38 115.58 115.93 3jxb h ASN 32 Ca -0.44 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 55.83 3jxb h ASN 32 Cb 1.22 -0.02 -0.02 0.00 -2.07 0.00 0.00 38.32 37.44 3jxb h ASN 32 CO 0.54 0.06 -0.09 0.58 0.07 0.00 0.00 177.43 178.59 3jxb h VAL 33 N 0.12 1.27 -0.49 6.14 2.07 -1.93 -1.50 116.25 121.92 3jxb h VAL 33 Ca 0.22 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.52 3jxb h VAL 33 Cb 0.73 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3jxb h VAL 33 CO -0.03 0.44 0.30 0.00 0.02 0.00 0.00 177.57 178.30 3jxb h ALA 34 N 0.92 0.63 -0.42 1.67 0.00 -1.80 0.11 119.26 120.38 3jxb h ALA 34 Ca 0.14 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3jxb h ALA 34 Cb 0.66 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3jxb h ALA 34 CO 0.05 0.00 0.19 0.82 0.00 0.00 0.00 179.25 180.31 3jxb h ILE 35 N 0.60 0.95 -0.42 0.00 1.08 -1.30 -0.46 117.51 117.95 3jxb h ILE 35 Ca 0.20 -0.14 0.03 0.00 -0.39 0.00 0.00 64.86 64.56 3jxb h ILE 35 Cb 0.01 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 34.24 3jxb h ILE 35 CO -0.08 0.07 0.22 -1.28 -0.69 0.00 0.00 178.15 176.38 3jxb h SER 36 N 0.39 0.32 -0.56 1.72 0.87 -0.71 -0.80 113.55 114.78 3jxb h SER 36 Ca 0.18 0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 3jxb h SER 36 Cb 0.11 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 3jxb h SER 36 CO -0.14 0.23 0.36 1.56 -0.53 0.00 0.00 176.83 178.30 3jxb h GLN 37 N 0.44 0.69 -0.51 2.24 4.20 -0.37 -0.72 115.11 121.07 3jxb h GLN 37 Ca 0.18 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3jxb h GLN 37 Cb 0.08 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3jxb h GLN 37 CO -0.12 0.46 0.31 -1.49 -0.67 0.00 0.00 178.83 177.32 3jxb h TRP 38 N 0.71 0.67 -0.15 2.96 6.55 -0.72 0.88 115.95 126.84 3jxb h TRP 38 Ca 0.22 -0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.95 3jxb h TRP 38 Cb -0.03 -0.22 -0.01 0.00 -0.86 0.00 0.00 29.16 28.04 3jxb h TRP 38 CO -0.05 0.46 -0.36 0.93 -1.05 0.00 0.00 178.44 178.37 3jxb h GLU 39 N 0.68 0.32 -0.27 0.49 5.08 -0.65 -1.89 114.58 118.35 3jxb h GLU 39 Ca 0.18 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3jxb h GLU 39 Cb -0.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3jxb h GLU 39 CO -0.03 0.64 0.00 0.54 -1.00 0.00 0.00 179.01 179.16 3jxb n ARG 40 N -4.06 1.78 -2.18 2.33 1.74 -0.32 -3.95 116.66 111.99 3jxb n ARG 40 Ca -0.01 -1.19 -0.19 0.00 -0.77 0.00 0.00 57.85 55.68 3jxb n ARG 40 Cb 0.45 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.53 3jxb n ARG 40 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3jxb n SER 41 N 0.44 -5.45 -0.04 0.55 7.64 -0.71 -4.88 113.62 111.17 3jxb n SER 41 Ca 0.14 0.14 -0.10 0.00 1.01 0.00 0.00 58.87 60.07 3jxb n SER 41 Cb 0.31 -4.63 0.05 0.00 -1.01 0.00 0.00 64.21 58.94 3jxb n SER 41 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3jxb h GLU 42 N 0.00 0.69 -4.10 1.43 4.81 -1.09 -3.47 114.58 112.85 3jxb h GLU 42 Ca -0.44 -0.37 -0.16 0.00 -0.13 0.00 0.00 59.36 58.25 3jxb h GLU 42 Cb 1.32 0.02 -0.11 0.00 0.63 0.00 0.00 28.75 30.61 3jxb h GLU 42 CO 0.55 0.99 -0.33 0.95 -0.73 0.00 0.00 179.01 180.44 3jxb s THR 43 N -4.23 0.00 0.10 0.32 -4.23 -1.18 -5.03 115.64 101.39 3jxb s THR 43 Ca -0.09 -1.68 0.10 0.00 -1.18 0.00 0.00 61.69 58.84 3jxb s THR 43 Cb 0.12 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 3jxb s THR 43 CO 0.85 0.00 -0.25 -1.61 -0.54 0.00 0.00 174.62 173.07 3jxb s GLU 44 N -3.97 1.44 0.48 3.99 2.02 -1.26 -4.08 118.70 117.31 3jxb s GLU 44 Ca 0.30 -1.22 -0.24 0.00 0.02 0.00 0.00 54.97 53.83 3jxb s GLU 44 Cb 0.02 -1.79 -0.07 0.00 0.10 0.00 0.00 34.13 32.39 3jxb s GLU 44 CO 0.12 0.44 1.38 -1.25 0.02 0.00 0.00 175.26 175.96 3jxb s PRO 45 N -1.76 3.55 0.85 0.39 0.04 -1.26 -5.02 135.00 131.79 3jxb s PRO 45 Ca 0.12 2.31 -0.14 0.00 0.04 0.00 0.00 61.00 63.32 3jxb s PRO 45 Cb -0.10 -2.53 0.21 0.00 0.04 0.00 0.00 34.50 32.12 3jxb s PRO 45 CO 0.04 -0.89 0.77 0.27 0.04 0.00 0.00 177.00 177.24 3jxb n ASN 46 N -0.43 -1.69 0.25 6.66 0.23 -1.26 -4.56 115.26 114.46 3jxb n ASN 46 Ca 0.07 -0.98 -0.16 0.00 -0.53 0.00 0.00 54.58 52.98 3jxb n ASN 46 Cb 0.43 -0.70 -0.08 0.00 -2.08 0.00 0.00 39.78 37.35 3jxb n ASN 46 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3jxb h GLY 47 N -2.01 -0.77 0.79 4.83 0.00 -1.99 0.82 103.07 104.73 3jxb h GLY 47 Ca -0.29 0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.42 3jxb h GLY 47 CO 0.19 -0.28 0.31 -2.09 0.00 0.00 0.00 176.54 174.66 3jxb h GLU 48 N -0.71 0.58 -0.06 4.80 4.81 -2.00 -2.51 114.58 119.48 3jxb h GLU 48 Ca -0.04 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.01 3jxb h GLU 48 Cb 0.61 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 3jxb h GLU 48 CO 0.01 0.39 -0.61 -0.91 -0.73 0.00 0.00 179.01 177.16 3jxb h ASN 49 N 0.60 0.25 -0.52 1.04 2.35 -1.86 -1.84 115.58 115.60 3jxb h ASN 49 Ca 0.23 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3jxb h ASN 49 Cb 0.09 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3jxb h ASN 49 CO -0.13 0.80 0.22 0.25 -1.65 0.00 0.00 177.43 176.91 3jxb h LEU 50 N 0.16 0.72 -0.56 1.61 5.85 -0.60 0.28 115.31 122.78 3jxb h LEU 50 Ca -0.01 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 3jxb h LEU 50 Cb 1.11 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3jxb h LEU 50 CO 0.09 0.69 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.72 3jxb h LEU 51 N 0.71 1.05 -0.47 2.25 3.38 -1.29 -0.16 115.31 120.78 3jxb h LEU 51 Ca 0.18 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3jxb h LEU 51 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3jxb h LEU 51 CO -0.02 1.14 0.04 0.00 0.09 0.00 0.00 178.44 179.70 3jxb h ALA 52 N 0.94 0.63 -0.67 1.53 0.00 -1.08 -2.00 119.26 118.61 3jxb h ALA 52 Ca 0.15 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3jxb h ALA 52 Cb 0.66 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3jxb h ALA 52 CO 0.05 0.39 0.41 1.25 0.00 0.00 0.00 179.25 181.35 3jxb h LEU 53 N 0.66 0.79 -0.94 0.00 5.85 -0.27 -1.46 115.31 119.94 3jxb h LEU 53 Ca 0.14 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3jxb h LEU 53 Cb 0.45 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3jxb h LEU 53 CO 0.02 0.61 0.47 0.28 -0.34 0.00 0.00 178.44 179.48 3jxb h SER 54 N 0.90 1.09 -0.38 1.25 0.02 -0.81 -0.92 113.55 114.70 3jxb h SER 54 Ca 0.24 -0.10 -0.15 0.00 -0.84 0.00 0.00 61.79 60.94 3jxb h SER 54 Cb -0.05 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 3jxb h SER 54 CO -0.05 0.88 -0.35 0.11 -1.14 0.00 0.00 176.83 176.29 3jxb h LYS 55 N 1.22 0.93 -0.32 3.45 1.57 -1.14 -0.72 116.57 121.56 3jxb h LYS 55 Ca 0.31 -0.46 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 3jxb h LYS 55 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3jxb h LYS 55 CO -0.05 1.12 -0.06 0.00 -0.57 0.00 0.00 179.45 179.89 3jxb h ALA 56 N 0.83 1.30 -0.02 3.86 0.00 -0.78 -2.69 119.26 121.76 3jxb h ALA 56 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3jxb h ALA 56 Cb 0.93 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3jxb h ALA 56 CO 0.09 0.47 -0.05 1.28 0.00 0.00 0.00 179.25 181.04 3jxb n LEU 57 N -4.24 2.00 -3.96 0.00 4.77 -0.40 -4.98 117.00 110.19 3jxb n LEU 57 Ca 0.01 -0.66 -0.26 0.00 -0.03 0.00 0.00 56.01 55.07 3jxb n LEU 57 Cb 0.29 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3jxb n LEU 57 CO 0.40 0.34 -0.22 0.00 -1.33 0.00 0.00 177.39 176.57 3jxb n GLN 58 N 0.49 -3.32 -4.33 3.23 6.02 -0.36 -5.01 117.38 114.09 3jxb n GLN 58 Ca 0.16 0.41 -0.19 0.00 -0.01 0.00 0.00 57.00 57.37 3jxb n GLN 58 Cb 0.44 -4.56 -0.10 0.00 1.02 0.00 0.00 30.24 27.04 3jxb n GLN 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jxb s SER 60 N -3.17 6.45 0.44 0.00 1.04 -1.26 -4.44 113.70 112.76 3jxb s SER 60 Ca 0.20 1.96 0.13 0.00 0.48 0.00 0.00 55.95 58.72 3jxb s SER 60 Cb -0.02 -2.57 1.03 0.00 0.10 0.00 0.00 66.02 64.57 3jxb s SER 60 CO 0.06 -0.71 2.02 -0.65 0.98 0.00 0.00 173.24 174.94 3jxb h PRO 61 N 1.80 0.37 -0.28 4.02 0.11 -1.91 -2.33 132.00 133.80 3jxb h PRO 61 Ca -0.49 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 3jxb h PRO 61 Cb 1.22 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3jxb h PRO 61 CO 0.60 0.25 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.87 3jxb h ASP 62 N 0.38 0.63 -0.00 -2.05 3.32 -1.95 -0.20 116.42 116.55 3jxb h ASP 62 Ca 0.22 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.02 3jxb h ASP 62 Cb 0.36 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3jxb h ASP 62 CO -0.05 0.91 -0.04 0.22 -1.72 0.00 0.00 179.24 178.56 3jxb h TYR 63 N 0.51 -0.10 0.05 4.55 3.20 -1.70 -0.64 116.97 122.84 3jxb h TYR 63 Ca 0.06 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 3jxb h TYR 63 Cb 0.82 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.13 3jxb h TYR 63 CO 0.03 -0.06 -0.03 -0.07 -1.64 0.00 0.00 178.16 176.40 3jxb h LEU 64 N -0.07 -0.06 -0.15 2.82 3.38 -1.25 0.12 115.31 120.10 3jxb h LEU 64 Ca 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3jxb h LEU 64 Cb 0.09 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3jxb h LEU 64 CO -0.04 -0.03 0.07 0.25 0.09 0.00 0.00 178.44 178.78 3jxb h LEU 65 N -0.09 0.20 0.00 1.67 5.85 -0.97 -3.39 115.31 118.58 3jxb h LEU 65 Ca -0.01 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3jxb h LEU 65 Cb 0.07 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3jxb h LEU 65 CO 0.01 0.27 -0.11 0.29 -0.34 0.00 0.00 178.44 178.57 3jxb n LYS 66 N -4.90 5.50 -1.01 1.25 5.02 -0.26 -4.57 118.16 119.19 3jxb n LYS 66 Ca -0.05 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.24 3jxb n LYS 66 Cb 0.10 -0.50 -0.00 0.00 -0.02 0.00 0.00 35.03 34.60 3jxb n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jxb n GLY 67 N 1.05 0.47 0.00 0.72 0.00 0.41 -4.76 105.19 103.08 3jxb n GLY 67 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3jxb n GLY 67 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41