#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jxc s GLN 4 N 0.00 4.36 0.44 -2.82 0.74 -1.26 -5.02 119.66 116.10 3jxc s GLN 4 Ca 0.00 1.98 -0.12 0.00 0.05 0.00 0.00 55.36 57.27 3jxc s GLN 4 Cb 0.00 -3.28 -0.07 0.00 1.10 0.00 0.00 33.01 30.77 3jxc s GLN 4 CO 0.00 -0.37 0.83 -0.51 -0.55 0.00 0.00 175.29 174.69 3jxc s LEU 5 N 1.06 3.76 0.29 3.68 1.43 -1.26 -4.97 118.68 122.66 3jxc s LEU 5 Ca 0.62 1.24 0.03 0.00 -1.03 0.00 0.00 54.13 55.00 3jxc s LEU 5 Cb -0.34 -4.14 0.66 0.00 0.03 0.00 0.00 46.19 42.39 3jxc s LEU 5 CO 0.30 -0.46 1.78 -0.03 0.23 0.00 0.00 176.35 178.16 3jxc h MET 6 N 1.10 0.72 -0.92 1.70 1.85 -1.82 -2.45 114.93 115.11 3jxc h MET 6 Ca -0.47 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 58.57 3jxc h MET 6 Cb 1.19 -0.16 -0.04 0.00 0.43 0.00 0.00 31.60 33.01 3jxc h MET 6 CO 0.63 0.48 0.53 0.78 -0.40 0.00 0.00 176.91 178.92 3jxc h GLY 7 N 0.74 1.35 1.34 1.39 0.00 -1.78 -0.68 103.07 105.43 3jxc h GLY 7 Ca 0.54 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 47.20 3jxc h GLY 7 CO -0.37 0.57 -0.02 0.83 0.00 0.00 0.00 176.54 177.55 3jxc h GLU 8 N 1.27 0.80 -0.57 4.80 5.08 -1.56 -0.89 114.58 123.51 3jxc h GLU 8 Ca 0.33 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 3jxc h GLU 8 Cb -0.01 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 3jxc h GLU 8 CO -0.06 0.81 -0.02 0.00 -1.00 0.00 0.00 179.01 178.75 3jxc h ARG 9 N 0.74 1.00 0.23 2.33 3.08 -1.01 -1.40 114.38 119.35 3jxc h ARG 9 Ca 0.14 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 3jxc h ARG 9 Cb 0.47 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3jxc h ARG 9 CO 0.02 1.00 -0.11 0.82 -1.07 0.00 0.00 179.97 180.63 3jxc h ILE 10 N 0.91 0.81 -0.44 2.04 2.04 -0.90 -1.95 117.51 120.02 3jxc h ILE 10 Ca 0.16 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3jxc h ILE 10 Cb 0.56 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 3jxc h ILE 10 CO 0.03 0.05 0.29 -0.09 0.00 0.00 0.00 178.15 178.43 3jxc h ARG 11 N -0.42 0.58 -0.79 2.37 2.43 -1.14 -0.51 114.38 116.90 3jxc h ARG 11 Ca -0.03 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3jxc h ARG 11 Cb 0.32 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 3jxc h ARG 11 CO 0.05 0.39 0.52 0.00 -1.51 0.00 0.00 179.97 179.42 3jxc h ALA 12 N 1.16 1.02 -0.38 2.80 0.00 -1.20 -0.82 119.26 121.84 3jxc h ALA 12 Ca 0.16 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3jxc h ALA 12 Cb -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3jxc h ALA 12 CO -0.03 0.37 0.03 -0.09 0.00 0.00 0.00 179.25 179.53 3jxc h ARG 13 N 1.03 0.66 -0.49 0.00 9.65 -1.06 -1.95 114.38 122.22 3jxc h ARG 13 Ca 0.30 -0.19 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 3jxc h ARG 13 Cb -0.06 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.42 3jxc h ARG 13 CO -0.09 0.74 0.30 -0.09 2.80 0.00 0.00 179.97 183.63 3jxc h ARG 14 N 0.49 0.58 -0.76 0.20 2.43 -0.71 -2.32 114.38 114.30 3jxc h ARG 14 Ca 0.11 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 3jxc h ARG 14 Cb 0.42 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 3jxc h ARG 14 CO 0.01 0.39 0.37 0.87 -1.51 0.00 0.00 179.97 180.10 3jxc h LYS 15 N 0.60 1.08 -0.87 0.20 1.79 -1.05 -1.25 116.57 117.09 3jxc h LYS 15 Ca 0.19 -0.15 0.06 0.00 -2.18 0.00 0.00 60.65 58.57 3jxc h LYS 15 Cb -0.01 -0.20 -0.05 0.00 -1.58 0.00 0.00 32.23 30.39 3jxc h LYS 15 CO -0.08 0.83 0.57 -0.22 -1.08 0.00 0.00 179.45 179.47 3jxc h LYS 16 N 1.08 0.97 0.00 3.15 1.63 -1.01 -2.30 116.57 120.08 3jxc h LYS 16 Ca 0.26 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 3jxc h LYS 16 Cb 0.10 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 3jxc h LYS 16 CO -0.03 0.64 -0.03 1.28 -3.45 0.00 0.00 179.45 177.85 3jxc n LEU 17 N -4.48 0.57 -3.33 5.20 7.99 -0.57 -4.94 117.00 117.46 3jxc n LEU 17 Ca 0.13 0.53 -0.21 0.00 -0.01 0.00 0.00 56.01 56.45 3jxc n LEU 17 Cb 0.18 -0.36 0.08 0.00 -0.11 0.00 0.00 43.42 43.20 3jxc n LEU 17 CO 0.33 -0.12 0.20 0.29 -1.51 0.00 0.00 177.39 176.59 3jxc n LYS 18 N -2.03 -7.11 -4.40 3.23 5.02 -0.61 -5.02 118.16 107.24 3jxc n LYS 18 Ca 0.06 0.77 -0.26 0.00 -2.02 0.00 0.00 58.31 56.85 3jxc n LYS 18 Cb 0.40 -5.61 -0.11 0.00 -0.02 0.00 0.00 35.03 29.69 3jxc n LYS 18 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3jxc s ILE 19 N -3.30 2.57 0.79 -0.18 -4.36 -1.20 -5.07 121.20 110.45 3jxc s ILE 19 Ca 0.43 -2.00 -0.12 0.00 -0.26 0.00 0.00 60.65 58.70 3jxc s ILE 19 Cb -0.19 -2.26 0.07 0.00 1.25 0.00 0.00 42.46 41.33 3jxc s ILE 19 CO 0.67 -0.16 1.16 0.00 0.24 0.00 0.00 174.94 176.85 3jxc s ARG 20 N -2.84 2.11 0.18 0.37 1.70 -1.26 -4.72 118.95 114.49 3jxc s ARG 20 Ca 0.23 0.20 -0.10 0.00 -0.47 0.00 0.00 55.73 55.59 3jxc s ARG 20 Cb -0.08 -1.96 0.08 0.00 -0.57 0.00 0.00 34.95 32.42 3jxc s ARG 20 CO 0.12 -1.51 1.69 1.96 -1.08 0.00 0.00 175.30 176.48 3jxc h GLN 21 N -1.00 1.00 -0.76 3.89 4.20 -1.99 -1.93 115.11 118.53 3jxc h GLN 21 Ca -0.46 -0.24 0.01 0.00 0.06 0.00 0.00 58.65 58.01 3jxc h GLN 21 Cb 1.31 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.92 3jxc h GLN 21 CO 0.65 0.91 0.49 0.00 -0.67 0.00 0.00 178.83 180.22 3jxc h ALA 22 N 1.05 1.44 -0.34 3.87 0.00 -1.92 0.17 119.26 123.53 3jxc h ALA 22 Ca 0.20 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3jxc h ALA 22 Cb 0.36 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3jxc h ALA 22 CO 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 179.25 179.65 3jxc h ALA 23 N 1.51 0.47 -0.54 0.00 0.00 -1.83 -1.19 119.26 117.68 3jxc h ALA 23 Ca 0.28 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3jxc h ALA 23 Cb -0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3jxc h ALA 23 CO -0.06 0.34 0.24 1.25 0.00 0.00 0.00 179.25 181.02 3jxc h LEU 24 N 0.45 0.72 -0.77 0.00 5.85 -0.93 -2.51 115.31 118.11 3jxc h LEU 24 Ca 0.08 -0.15 0.11 0.00 0.84 0.00 0.00 57.88 58.76 3jxc h LEU 24 Cb 0.63 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.39 3jxc h LEU 24 CO 0.04 0.67 0.40 1.23 -0.34 0.00 0.00 178.44 180.44 3jxc h GLY 25 N 0.72 1.19 1.01 3.75 0.00 -0.55 -1.39 103.07 107.81 3jxc h GLY 25 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3jxc h GLY 25 CO -0.02 0.05 0.48 1.70 0.00 0.00 0.00 176.54 178.75 3jxc h LYS 26 N 0.65 0.99 -0.26 4.80 1.63 -1.02 0.25 116.57 123.62 3jxc h LYS 26 Ca 0.39 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 60.07 3jxc h LYS 26 Cb 0.44 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.83 3jxc h LYS 26 CO -0.29 0.67 -0.08 0.52 -3.45 0.00 0.00 179.45 176.82 3jxc h MET 27 N 1.01 0.41 0.02 1.90 2.86 -0.90 -3.23 114.93 117.00 3jxc h MET 27 Ca 0.27 -0.10 -0.30 0.00 -2.06 0.00 0.00 59.70 57.51 3jxc h MET 27 Cb -0.09 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.47 3jxc h MET 27 CO -0.06 0.50 -1.74 0.28 1.06 0.00 0.00 176.91 176.95 3jxc n VAL 28 N -4.26 1.64 0.00 -2.22 0.31 -0.61 -4.93 118.33 108.27 3jxc n VAL 28 Ca 0.00 -0.78 0.00 0.00 -0.01 0.00 0.00 64.34 63.56 3jxc n VAL 28 Cb 0.27 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 3jxc n VAL 28 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3jxc n GLY 29 N 1.62 1.56 3.37 2.92 0.00 0.73 -4.86 105.19 110.53 3jxc n GLY 29 Ca -0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 3jxc n GLY 29 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jxc s VAL 30 N -2.00 0.98 0.75 1.61 -7.23 -0.41 -5.03 120.40 109.07 3jxc s VAL 30 Ca 0.00 -2.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 3jxc s VAL 30 Cb 0.00 -2.58 0.04 0.00 0.56 0.00 0.00 36.38 34.40 3jxc s VAL 30 CO 0.00 -0.13 1.08 -0.94 -0.31 0.00 0.00 175.10 174.80 3jxc s SER 31 N -3.37 4.78 0.45 4.85 1.04 -1.26 -3.84 113.70 116.34 3jxc s SER 31 Ca 0.34 1.68 0.11 0.00 0.48 0.00 0.00 55.95 58.55 3jxc s SER 31 Cb 0.07 -2.45 1.01 0.00 0.10 0.00 0.00 66.02 64.75 3jxc s SER 31 CO 0.12 -1.84 2.08 -0.55 0.98 0.00 0.00 173.24 174.04 3jxc h ASN 32 N -0.99 0.31 -0.62 7.02 -1.07 -1.86 -2.33 115.58 116.04 3jxc h ASN 32 Ca -0.44 -0.01 -0.06 0.00 0.07 0.00 0.00 56.30 55.86 3jxc h ASN 32 Cb 1.23 -0.08 -0.02 0.00 -2.07 0.00 0.00 38.32 37.38 3jxc h ASN 32 CO 0.54 0.22 0.14 0.58 0.07 0.00 0.00 177.43 178.98 3jxc h VAL 33 N 0.37 1.25 -0.60 6.14 2.07 -1.92 -1.07 116.25 122.49 3jxc h VAL 33 Ca 0.12 -0.94 0.07 0.00 0.82 0.00 0.00 66.70 66.77 3jxc h VAL 33 Cb 0.02 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 3jxc h VAL 33 CO -0.03 0.35 0.28 0.00 0.02 0.00 0.00 177.57 178.20 3jxc h ALA 34 N 1.04 0.78 -0.21 1.67 0.00 -1.80 0.14 119.26 120.88 3jxc h ALA 34 Ca 0.19 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.17 3jxc h ALA 34 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3jxc h ALA 34 CO 0.00 -0.10 0.07 0.82 0.00 0.00 0.00 179.25 180.05 3jxc h ILE 35 N 0.51 0.95 -0.52 0.00 1.08 -1.20 -1.31 117.51 117.02 3jxc h ILE 35 Ca 0.28 -0.06 0.08 0.00 -0.39 0.00 0.00 64.86 64.77 3jxc h ILE 35 Cb 0.26 0.76 -0.06 0.00 -3.07 0.00 0.00 36.82 34.71 3jxc h ILE 35 CO -0.23 0.03 0.16 -1.28 -0.69 0.00 0.00 178.15 176.15 3jxc h SER 36 N 0.17 0.13 -0.59 1.72 0.87 -0.44 -0.08 113.55 115.33 3jxc h SER 36 Ca 0.09 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 3jxc h SER 36 Cb 0.06 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.06 3jxc h SER 36 CO -0.09 0.10 0.38 1.56 -0.53 0.00 0.00 176.83 178.25 3jxc h GLN 37 N 0.33 0.76 -0.23 2.24 4.20 -0.43 -0.96 115.11 121.02 3jxc h GLN 37 Ca 0.26 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 3jxc h GLN 37 Cb 0.31 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3jxc h GLN 37 CO -0.29 0.50 0.04 -1.49 -0.67 0.00 0.00 178.83 176.92 3jxc h TRP 38 N 0.78 0.41 -0.57 2.96 6.55 -0.84 0.27 115.95 125.51 3jxc h TRP 38 Ca 0.22 -0.06 -0.01 0.00 0.95 0.00 0.00 58.89 60.00 3jxc h TRP 38 Cb -0.07 -0.11 -0.03 0.00 -0.86 0.00 0.00 29.16 28.09 3jxc h TRP 38 CO -0.04 0.51 0.33 0.93 -1.05 0.00 0.00 178.44 179.12 3jxc h GLU 39 N 0.19 0.77 -0.24 0.49 5.08 -0.76 -1.44 114.58 118.67 3jxc h GLU 39 Ca 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3jxc h GLU 39 Cb 0.32 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3jxc h GLU 39 CO 0.00 0.55 0.00 0.54 -1.00 0.00 0.00 179.01 179.10 3jxc n ARG 40 N -4.41 1.78 -2.13 2.33 1.74 -0.39 -3.87 116.66 111.72 3jxc n ARG 40 Ca 0.05 -1.19 -0.20 0.00 -0.77 0.00 0.00 57.85 55.74 3jxc n ARG 40 Cb 0.08 -1.35 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 3jxc n ARG 40 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3jxc n SER 41 N 0.43 -5.55 -0.20 0.55 7.64 -0.54 -4.87 113.62 111.08 3jxc n SER 41 Ca 0.15 0.17 -0.09 0.00 1.01 0.00 0.00 58.87 60.11 3jxc n SER 41 Cb 0.32 -4.72 0.03 0.00 -1.01 0.00 0.00 64.21 58.84 3jxc n SER 41 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3jxc h GLU 42 N 0.00 1.06 -4.39 1.43 4.81 -1.20 -3.46 114.58 112.82 3jxc h GLU 42 Ca -0.45 -0.35 -0.25 0.00 -0.13 0.00 0.00 59.36 58.18 3jxc h GLU 42 Cb 1.33 -0.09 -0.13 0.00 0.63 0.00 0.00 28.75 30.50 3jxc h GLU 42 CO 0.57 1.05 -0.44 0.95 -0.73 0.00 0.00 179.01 180.41 3jxc s THR 43 N -4.97 0.00 0.10 0.32 -4.23 -1.13 -5.03 115.64 100.70 3jxc s THR 43 Ca -0.12 -1.82 0.10 0.00 -1.18 0.00 0.00 61.69 58.67 3jxc s THR 43 Cb 0.14 -2.46 -0.04 0.00 1.34 0.00 0.00 72.50 71.48 3jxc s THR 43 CO 0.86 0.00 -0.26 -1.61 -0.54 0.00 0.00 174.62 173.07 3jxc s GLU 44 N -3.86 1.56 0.45 3.99 2.02 -1.26 -4.14 118.70 117.46 3jxc s GLU 44 Ca 0.35 -1.26 -0.24 0.00 0.02 0.00 0.00 54.97 53.83 3jxc s GLU 44 Cb 0.04 -1.95 -0.08 0.00 0.10 0.00 0.00 34.13 32.24 3jxc s GLU 44 CO 0.15 0.47 1.31 -1.25 0.02 0.00 0.00 175.26 175.97 3jxc s PRO 45 N -1.84 3.70 0.80 0.39 0.04 -1.26 -5.03 135.00 131.80 3jxc s PRO 45 Ca 0.14 2.15 -0.13 0.00 0.04 0.00 0.00 61.00 63.20 3jxc s PRO 45 Cb -0.10 -2.57 0.20 0.00 0.04 0.00 0.00 34.50 32.07 3jxc s PRO 45 CO 0.05 -0.72 0.74 0.27 0.04 0.00 0.00 177.00 177.39 3jxc n ASN 46 N -0.29 -1.57 0.20 6.66 0.23 -1.26 -4.58 115.26 114.65 3jxc n ASN 46 Ca 0.06 -0.98 -0.15 0.00 -0.53 0.00 0.00 54.58 52.99 3jxc n ASN 46 Cb 0.44 -0.67 -0.08 0.00 -2.08 0.00 0.00 39.78 37.39 3jxc n ASN 46 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3jxc h GLY 47 N -1.90 -0.48 0.90 4.83 0.00 -1.99 0.79 103.07 105.21 3jxc h GLY 47 Ca -0.27 0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.26 3jxc h GLY 47 CO 0.18 -0.17 0.45 -2.09 0.00 0.00 0.00 176.54 174.91 3jxc h GLU 48 N -0.56 0.86 -0.10 4.80 4.81 -2.00 -2.69 114.58 119.70 3jxc h GLU 48 Ca -0.05 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 58.96 3jxc h GLU 48 Cb 0.42 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 3jxc h GLU 48 CO 0.08 0.57 -0.68 -0.91 -0.73 0.00 0.00 179.01 177.34 3jxc h ASN 49 N 0.89 0.49 -0.56 1.04 2.35 -1.88 -2.04 115.58 115.87 3jxc h ASN 49 Ca 0.28 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3jxc h ASN 49 Cb -0.01 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3jxc h ASN 49 CO -0.10 1.03 0.16 0.25 -1.65 0.00 0.00 177.43 177.12 3jxc h LEU 50 N 0.29 0.83 -0.34 1.61 5.85 -0.64 0.15 115.31 123.07 3jxc h LEU 50 Ca -0.02 -0.22 -0.13 0.00 0.84 0.00 0.00 57.88 58.35 3jxc h LEU 50 Cb 1.24 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3jxc h LEU 50 CO 0.12 0.83 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.68 3jxc h LEU 51 N 0.79 0.84 -0.83 2.25 -0.00 -1.43 0.22 115.31 117.15 3jxc h LEU 51 Ca 0.18 -0.46 -0.02 0.00 -0.00 0.00 0.00 57.88 57.58 3jxc h LEU 51 Cb 0.31 -0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 40.69 3jxc h LEU 51 CO -0.00 1.13 0.44 0.00 -0.00 0.00 0.00 178.44 180.00 3jxc h ALA 52 N 0.74 1.07 -0.33 1.53 0.00 -1.23 -2.40 119.26 118.64 3jxc h ALA 52 Ca 0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3jxc h ALA 52 Cb 0.87 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3jxc h ALA 52 CO 0.08 0.60 0.06 1.25 0.00 0.00 0.00 179.25 181.24 3jxc h LEU 53 N 1.17 0.52 -1.16 0.00 5.85 -0.50 -1.66 115.31 119.52 3jxc h LEU 53 Ca 0.29 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3jxc h LEU 53 Cb 0.06 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3jxc h LEU 53 CO -0.04 0.63 0.57 0.77 -0.34 0.00 0.00 178.44 180.03 3jxc h SER 54 N 0.38 0.96 -0.33 1.25 4.64 -0.79 -0.43 113.55 119.23 3jxc h SER 54 Ca 0.10 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.26 3jxc h SER 54 Cb 0.33 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 3jxc h SER 54 CO 0.00 0.68 -0.35 0.11 -0.87 0.00 0.00 176.83 176.40 3jxc h LYS 55 N 1.13 0.82 -0.46 4.77 1.57 -1.28 -0.05 116.57 123.08 3jxc h LYS 55 Ca 0.33 -0.44 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3jxc h LYS 55 Cb -0.06 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3jxc h LYS 55 CO -0.09 1.08 0.16 0.00 -0.57 0.00 0.00 179.45 180.03 3jxc h ALA 56 N 0.73 1.42 -0.02 3.86 0.00 -0.98 -2.62 119.26 121.65 3jxc h ALA 56 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3jxc h ALA 56 Cb 0.94 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3jxc h ALA 56 CO 0.09 0.43 -0.06 1.28 0.00 0.00 0.00 179.25 180.99 3jxc n LEU 57 N -4.34 1.75 -3.60 0.00 4.77 -0.20 -4.97 117.00 110.42 3jxc n LEU 57 Ca 0.03 -0.58 -0.22 0.00 -0.03 0.00 0.00 56.01 55.22 3jxc n LEU 57 Cb 0.17 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 3jxc n LEU 57 CO 0.38 0.30 0.14 0.00 -1.33 0.00 0.00 177.39 176.87 3jxc n GLN 58 N 0.28 -6.74 -4.17 3.23 6.02 -0.52 -5.00 117.38 110.49 3jxc n GLN 58 Ca 0.17 0.77 -0.15 0.00 -0.01 0.00 0.00 57.00 57.78 3jxc n GLN 58 Cb 0.41 -5.72 -0.07 0.00 1.02 0.00 0.00 30.24 25.88 3jxc n GLN 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jxc s SER 60 N -3.25 6.58 0.31 0.00 1.04 -1.26 -4.29 113.70 112.83 3jxc s SER 60 Ca 0.35 1.16 -0.01 0.00 0.48 0.00 0.00 55.95 57.92 3jxc s SER 60 Cb 0.02 -2.33 0.48 0.00 0.10 0.00 0.00 66.02 64.28 3jxc s SER 60 CO 0.20 -0.34 1.94 -0.65 0.98 0.00 0.00 173.24 175.37 3jxc h PRO 61 N 1.53 0.96 -0.73 4.02 0.11 -1.91 -2.67 132.00 133.30 3jxc h PRO 61 Ca -0.47 -0.09 0.02 0.00 0.11 0.00 0.00 66.00 65.56 3jxc h PRO 61 Cb 1.18 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.05 3jxc h PRO 61 CO 0.64 0.69 0.47 -0.44 -0.21 0.00 0.00 178.00 179.16 3jxc h ASP 62 N 0.97 0.80 -0.04 -2.05 3.32 -1.98 0.00 116.42 117.45 3jxc h ASP 62 Ca 0.25 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.30 3jxc h ASP 62 Cb -0.01 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3jxc h ASP 62 CO -0.04 0.56 -0.01 0.22 -1.72 0.00 0.00 179.24 178.25 3jxc h TYR 63 N 0.94 -0.02 -0.31 4.55 3.20 -1.76 0.09 116.97 123.66 3jxc h TYR 63 Ca 0.28 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.20 3jxc h TYR 63 Cb -0.04 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.21 3jxc h TYR 63 CO -0.03 -0.02 0.08 -0.07 -1.64 0.00 0.00 178.16 176.49 3jxc h LEU 64 N -0.00 0.06 -0.32 2.82 3.38 -1.14 0.48 115.31 120.60 3jxc h LEU 64 Ca 0.02 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3jxc h LEU 64 Cb 0.03 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3jxc h LEU 64 CO -0.04 0.07 -0.07 -0.07 0.09 0.00 0.00 178.44 178.42 3jxc h LEU 65 N 0.21 0.61 0.00 1.67 3.38 -0.79 -3.39 115.31 117.00 3jxc h LEU 65 Ca 0.14 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3jxc h LEU 65 Cb 0.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3jxc h LEU 65 CO -0.17 0.83 -0.47 0.29 0.09 0.00 0.00 178.44 179.01 3jxc n LYS 66 N -4.46 3.11 0.00 1.13 5.02 -0.00 -4.62 118.16 118.34 3jxc n LYS 66 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 3jxc n LYS 66 Cb 0.32 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.63 3jxc n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3jxc n GLY 67 N 1.55 -0.16 0.89 0.72 0.00 0.17 -5.01 105.19 103.35 3jxc n GLY 67 Ca 0.00 -1.01 0.11 0.00 0.00 0.00 0.00 46.02 45.12 3jxc n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54