#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 4.34 0.34 -2.82 0.74 -1.26 -5.01 119.66 115.98 3jxc s GLN 4 Ca 0.00 1.92 -0.09 0.00 0.05 0.00 0.00 55.36 57.24 3jxc s GLN 4 Cb 0.00 -3.41 -0.06 0.00 1.10 0.00 0.00 33.01 30.64 3jxc s GLN 4 CO 0.00 -0.43 0.66 -0.51 -0.55 0.00 0.00 175.29 174.46 3jxc s LEU 5 N 1.62 3.97 0.31 3.68 1.43 -1.26 -4.97 118.68 123.45 3jxc s LEU 5 Ca 0.62 0.96 0.05 0.00 -1.03 0.00 0.00 54.13 54.73 3jxc s LEU 5 Cb -0.32 -3.80 0.70 0.00 0.03 0.00 0.00 46.19 42.80 3jxc s LEU 5 CO 0.28 -0.28 1.81 -0.03 0.23 0.00 0.00 176.35 178.36 3jxc h MET 6 N 1.62 0.80 -0.40 1.70 1.85 -1.84 -1.53 114.93 117.13 3jxc h MET 6 Ca -0.47 -0.05 -0.06 0.00 -0.61 0.00 0.00 59.70 58.51 3jxc h MET 6 Cb 1.19 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 33.02 3jxc h MET 6 CO 0.65 0.53 0.02 0.78 -0.40 0.00 0.00 176.91 178.49 3jxc h GLY 7 N 0.82 0.68 1.16 1.39 0.00 -1.79 -0.59 103.07 104.74 3jxc h GLY 7 Ca 0.54 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 3jxc h GLY 7 CO -0.32 0.39 0.30 0.83 0.00 0.00 0.00 176.54 177.74 3jxc h GLU 8 N 0.60 1.07 -0.35 4.80 5.08 -1.41 -1.18 114.58 123.20 3jxc h GLU 8 Ca 0.13 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 3jxc h GLU 8 Cb 0.36 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 3jxc h GLU 8 CO 0.01 0.86 -0.42 0.00 -1.00 0.00 0.00 179.01 178.46 3jxc h ARG 9 N 1.05 0.90 0.12 2.33 3.08 -1.04 -1.69 114.38 119.14 3jxc h ARG 9 Ca 0.25 -0.49 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 3jxc h ARG 9 Cb 0.18 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3jxc h ARG 9 CO -0.02 1.14 -0.07 0.82 -1.07 0.00 0.00 179.97 180.77 3jxc h ILE 10 N 0.72 0.85 -0.76 2.04 2.04 -0.98 -1.53 117.51 119.89 3jxc h ILE 10 Ca 0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.93 3jxc h ILE 10 Cb 1.02 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3jxc h ILE 10 CO 0.10 0.00 0.50 -0.09 0.00 0.00 0.00 178.15 178.66 3jxc h ARG 11 N -0.19 0.97 -0.81 2.37 2.43 -1.21 -0.91 114.38 117.03 3jxc h ARG 11 Ca -0.01 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.06 3jxc h ARG 11 Cb 0.16 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.45 3jxc h ARG 11 CO 0.01 0.64 0.33 0.00 -1.51 0.00 0.00 179.97 179.44 3jxc h ALA 12 N 1.30 1.05 -0.58 2.80 0.00 -1.15 0.23 119.26 122.89 3jxc h ALA 12 Ca 0.29 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3jxc h ALA 12 Cb -0.07 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3jxc h ALA 12 CO -0.08 0.67 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 3jxc h ARG 13 N 1.17 1.04 -0.68 0.00 2.47 -1.06 -2.05 114.38 115.28 3jxc h ARG 13 Ca 0.27 -0.34 -0.07 0.00 -1.26 0.00 0.00 59.98 58.58 3jxc h ARG 13 Cb 0.21 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 3jxc h ARG 13 CO -0.02 1.03 0.13 -0.09 0.56 0.00 0.00 179.97 181.58 3jxc h ARG 14 N 0.93 1.10 -0.09 0.04 2.43 -0.79 -2.73 114.38 115.28 3jxc h ARG 14 Ca 0.16 -0.28 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 3jxc h ARG 14 Cb 0.57 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3jxc h ARG 14 CO 0.03 1.00 -0.13 0.87 -1.51 0.00 0.00 179.97 180.23 3jxc h LYS 15 N 1.03 0.14 -0.46 0.20 1.79 -0.81 -1.03 116.57 117.43 3jxc h LYS 15 Ca 0.21 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.55 3jxc h LYS 15 Cb 0.41 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3jxc h LYS 15 CO 0.01 0.28 -0.13 -0.22 -1.08 0.00 0.00 179.45 178.31 3jxc h LYS 16 N 0.13 0.85 0.00 3.15 1.63 -1.13 -2.38 116.57 118.82 3jxc h LYS 16 Ca 0.03 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.53 3jxc h LYS 16 Cb 0.32 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 3jxc h LYS 16 CO 0.02 0.93 0.00 -0.07 -3.45 0.00 0.00 179.45 176.88 3jxc h LEU 17 N 0.76 0.00 2.01 5.20 3.38 -1.06 -3.47 115.31 122.12 3jxc h LEU 17 Ca 0.12 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.81 3jxc h LEU 17 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 3jxc h LEU 17 CO 0.04 0.00 -0.36 0.29 0.09 0.00 0.00 178.44 178.50 3jxc n LYS 18 N -3.09 -1.13 -4.06 1.13 5.02 -0.47 -5.03 118.16 110.53 3jxc n LYS 18 Ca 0.03 0.69 -0.22 0.00 -2.02 0.00 0.00 58.31 56.78 3jxc n LYS 18 Cb 0.44 -4.97 -0.04 0.00 -0.02 0.00 0.00 35.03 30.43 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 -2.70 4.11 0.60 -0.18 -4.36 -1.19 -5.05 121.20 112.43 3jxc s ILE 19 Ca 0.00 -1.45 -0.08 0.00 -0.26 0.00 0.00 60.65 58.86 3jxc s ILE 19 Cb 0.00 -3.29 -0.02 0.00 1.25 0.00 0.00 42.46 40.40 3jxc s ILE 19 CO 0.00 -0.31 0.95 -0.13 0.24 0.00 0.00 174.94 175.69 3jxc s ARG 20 N -3.86 3.28 0.25 0.37 3.00 -1.26 -4.75 118.95 115.97 3jxc s ARG 20 Ca 0.35 0.38 -0.04 0.00 0.00 0.00 0.00 55.73 56.41 3jxc s ARG 20 Cb -0.07 -2.19 0.38 0.00 0.00 0.00 0.00 34.95 33.07 3jxc s ARG 20 CO 0.25 -0.60 1.84 1.96 0.00 0.00 0.00 175.30 178.74 3jxc h GLN 21 N -0.22 0.90 -0.70 3.54 4.20 -1.99 -1.57 115.11 119.28 3jxc h GLN 21 Ca -0.45 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.18 3jxc h GLN 21 Cb 1.22 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 28.77 3jxc h GLN 21 CO 0.62 0.60 0.33 0.00 -0.67 0.00 0.00 178.83 179.70 3jxc h ALA 22 N 1.44 0.90 -0.65 3.87 0.00 -1.93 0.25 119.26 123.14 3jxc h ALA 22 Ca 0.40 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3jxc h ALA 22 Cb 0.26 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3jxc h ALA 22 CO -0.21 0.47 0.32 0.00 0.00 0.00 0.00 179.25 179.83 3jxc h ALA 23 N 1.15 0.83 -0.36 0.00 0.00 -1.79 -0.34 119.26 118.76 3jxc h ALA 23 Ca 0.24 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3jxc h ALA 23 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3jxc h ALA 23 CO -0.03 0.39 0.02 1.25 0.00 0.00 0.00 179.25 180.88 3jxc h LEU 24 N 0.89 0.60 -0.56 0.00 5.85 -0.86 -2.59 115.31 118.64 3jxc h LEU 24 Ca 0.22 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.71 3jxc h LEU 24 Cb 0.10 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 3jxc h LEU 24 CO -0.03 0.74 0.27 1.23 -0.34 0.00 0.00 178.44 180.31 3jxc h GLY 25 N 0.44 0.79 0.60 3.75 0.00 -0.24 -1.64 103.07 106.78 3jxc h GLY 25 Ca 0.10 -0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.33 3jxc h GLY 25 CO 0.01 0.08 0.40 1.70 0.00 0.00 0.00 176.54 178.73 3jxc h LYS 26 N 0.51 0.69 -0.72 4.80 3.64 -0.92 0.30 116.57 124.86 3jxc h LYS 26 Ca 0.26 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 3jxc h LYS 26 Cb 0.21 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3jxc h LYS 26 CO -0.20 0.45 0.38 0.52 -2.27 0.00 0.00 179.45 178.33 3jxc h MET 27 N 0.71 1.00 0.00 1.90 2.86 -0.98 -3.22 114.93 117.20 3jxc h MET 27 Ca 0.34 -0.12 -0.26 0.00 -2.06 0.00 0.00 59.70 57.60 3jxc h MET 27 Cb 0.26 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 3jxc h MET 27 CO -0.21 0.74 -1.51 0.28 1.06 0.00 0.00 176.91 177.27 3jxc h VAL 28 N 1.01 1.04 0.00 -2.22 2.07 -0.79 -3.48 116.25 113.87 3jxc h VAL 28 Ca 0.25 -2.84 0.00 0.00 0.82 0.00 0.00 66.70 64.94 3jxc h VAL 28 Cb 0.04 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3jxc h VAL 28 CO -0.04 0.59 0.00 0.61 0.02 0.00 0.00 177.57 178.75 3jxc n GLY 29 N 1.49 1.71 3.27 2.17 0.00 0.96 -4.85 105.19 109.94 3jxc n GLY 29 Ca -0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 0.30 0.72 1.61 -7.23 -0.64 -5.03 120.40 108.14 3jxc s VAL 30 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 3jxc s VAL 30 Cb 0.00 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 34.40 3jxc s VAL 30 CO 0.00 0.00 1.07 -0.94 -0.31 0.00 0.00 175.10 174.92 3jxc s SER 31 N -3.27 5.09 0.43 4.85 1.04 -1.26 -3.89 113.70 116.69 3jxc s SER 31 Ca 0.38 1.61 0.15 0.00 0.48 0.00 0.00 55.95 58.56 3jxc s SER 31 Cb 0.07 -2.43 1.03 0.00 0.10 0.00 0.00 66.02 64.79 3jxc s SER 31 CO 0.14 -1.63 1.94 -0.55 0.98 0.00 0.00 173.24 174.12 3jxc h ASN 32 N -0.85 0.40 -0.69 7.02 -1.07 -1.86 -1.99 115.58 116.55 3jxc h ASN 32 Ca -0.44 0.02 -0.07 0.00 0.07 0.00 0.00 56.30 55.87 3jxc h ASN 32 Cb 1.22 -0.06 -0.03 0.00 -2.07 0.00 0.00 38.32 37.38 3jxc h ASN 32 CO 0.56 0.22 0.15 0.58 0.07 0.00 0.00 177.43 179.01 3jxc h VAL 33 N 0.43 1.26 -0.67 6.14 2.07 -1.92 -1.13 116.25 122.43 3jxc h VAL 33 Ca 0.34 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 3jxc h VAL 33 Cb 0.74 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 3jxc h VAL 33 CO -0.11 0.38 0.34 0.00 0.02 0.00 0.00 177.57 178.21 3jxc h ALA 34 N 1.10 0.86 -0.31 1.67 0.00 -1.73 -0.20 119.26 120.66 3jxc h ALA 34 Ca 0.22 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.05 3jxc h ALA 34 Cb 0.39 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3jxc h ALA 34 CO 0.01 0.40 0.04 0.82 0.00 0.00 0.00 179.25 180.51 3jxc h ILE 35 N 0.92 0.82 -0.48 0.00 1.08 -1.19 0.12 117.51 118.78 3jxc h ILE 35 Ca 0.23 -0.05 0.06 0.00 -0.39 0.00 0.00 64.86 64.72 3jxc h ILE 35 Cb 0.08 0.67 -0.05 0.00 -3.07 0.00 0.00 36.82 34.45 3jxc h ILE 35 CO -0.03 0.02 0.18 -1.28 -0.69 0.00 0.00 178.15 176.35 3jxc h SER 36 N 0.14 0.20 -0.76 1.72 0.87 -0.83 -0.65 113.55 114.23 3jxc h SER 36 Ca 0.14 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 3jxc h SER 36 Cb 0.17 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3jxc h SER 36 CO -0.21 0.15 0.28 1.56 -0.53 0.00 0.00 176.83 178.07 3jxc h GLN 37 N 0.37 1.16 -0.23 2.24 4.20 -0.58 -1.17 115.11 121.09 3jxc h GLN 37 Ca 0.23 -0.22 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3jxc h GLN 37 Cb 0.23 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3jxc h GLN 37 CO -0.22 0.96 0.04 -1.49 -0.67 0.00 0.00 178.83 177.44 3jxc h TRP 38 N 1.13 0.41 -0.76 2.96 6.55 -0.66 0.24 115.95 125.83 3jxc h TRP 38 Ca 0.25 -0.06 0.01 0.00 0.95 0.00 0.00 58.89 60.04 3jxc h TRP 38 Cb 0.25 -0.11 -0.04 0.00 -0.86 0.00 0.00 29.16 28.40 3jxc h TRP 38 CO 0.02 0.52 0.50 0.93 -1.05 0.00 0.00 178.44 179.36 3jxc h GLU 39 N 0.19 0.99 -0.08 0.49 5.08 -0.99 -1.96 114.58 118.30 3jxc h GLU 39 Ca 0.07 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3jxc h GLU 39 Cb 0.33 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3jxc h GLU 39 CO 0.00 0.65 0.00 0.54 -1.00 0.00 0.00 179.01 179.21 3jxc n ARG 40 N -4.42 1.37 -2.17 2.33 1.74 -0.46 -3.94 116.66 111.10 3jxc n ARG 40 Ca 0.08 -0.55 -0.20 0.00 -0.77 0.00 0.00 57.85 56.41 3jxc n ARG 40 Cb 0.04 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 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 -0.23 -5.68 0.02 0.55 7.64 -0.73 -4.88 113.62 110.31 3jxc n SER 41 Ca 0.15 0.14 -0.12 0.00 1.01 0.00 0.00 58.87 60.05 3jxc n SER 41 Cb 0.20 -4.81 0.00 0.00 -1.01 0.00 0.00 64.21 58.59 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 0.53 -4.62 1.43 4.81 -1.19 -3.47 114.58 112.07 3jxc h GLU 42 Ca -0.47 -0.42 -0.29 0.00 -0.13 0.00 0.00 59.36 58.05 3jxc h GLU 42 Cb 1.35 0.08 -0.14 0.00 0.63 0.00 0.00 28.75 30.67 3jxc h GLU 42 CO 0.58 1.05 -0.56 0.95 -0.73 0.00 0.00 179.01 180.30 3jxc s THR 43 N -3.70 0.00 0.10 0.32 -4.23 -1.10 -5.03 115.64 102.00 3jxc s THR 43 Ca -0.07 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 58.57 3jxc s THR 43 Cb 0.10 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.41 3jxc s THR 43 CO 0.86 0.00 -0.25 -1.61 -0.54 0.00 0.00 174.62 173.08 3jxc s GLU 44 N -3.96 1.43 0.53 3.99 2.02 -1.26 -4.17 118.70 117.28 3jxc s GLU 44 Ca 0.39 -1.23 -0.22 0.00 0.02 0.00 0.00 54.97 53.93 3jxc s GLU 44 Cb 0.05 -1.78 -0.05 0.00 0.10 0.00 0.00 34.13 32.45 3jxc s GLU 44 CO 0.16 0.43 1.30 -1.25 0.02 0.00 0.00 175.26 175.93 3jxc s PRO 45 N -1.78 3.28 1.06 0.39 0.04 -1.26 -5.03 135.00 131.70 3jxc s PRO 45 Ca 0.11 2.10 -0.18 0.00 0.04 0.00 0.00 61.00 63.08 3jxc s PRO 45 Cb -0.10 -2.27 0.26 0.00 0.04 0.00 0.00 34.50 32.43 3jxc s PRO 45 CO 0.04 -1.04 1.02 0.27 0.04 0.00 0.00 177.00 177.34 3jxc n ASN 46 N -0.93 -1.59 0.40 6.66 0.23 -1.26 -4.61 115.26 114.16 3jxc n ASN 46 Ca 0.10 -1.16 -0.18 0.00 -0.53 0.00 0.00 54.58 52.80 3jxc n ASN 46 Cb 0.46 -0.90 -0.09 0.00 -2.08 0.00 0.00 39.78 37.17 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 -2.31 -1.02 0.58 4.83 0.00 -1.99 0.21 103.07 103.36 3jxc h GLY 47 Ca -0.37 0.38 0.08 0.00 0.00 0.00 0.00 47.33 47.42 3jxc h GLY 47 CO 0.25 -0.37 0.41 -2.09 0.00 0.00 0.00 176.54 174.73 3jxc h GLU 48 N -0.98 0.69 -0.07 4.80 4.81 -2.00 -2.47 114.58 119.36 3jxc h GLU 48 Ca -0.10 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 58.92 3jxc h GLU 48 Cb 0.75 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 3jxc h GLU 48 CO 0.16 0.46 -0.69 -0.91 -0.73 0.00 0.00 179.01 177.29 3jxc h ASN 49 N 0.71 0.40 -0.26 1.04 2.35 -1.86 -1.85 115.58 116.10 3jxc h ASN 49 Ca 0.35 -0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3jxc h ASN 49 Cb 0.29 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3jxc h ASN 49 CO -0.23 0.97 0.14 0.25 -1.65 0.00 0.00 177.43 176.91 3jxc h LEU 50 N 0.24 0.34 -0.42 1.61 5.85 -0.36 0.13 115.31 122.69 3jxc h LEU 50 Ca -0.02 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3jxc h LEU 50 Cb 1.25 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3jxc h LEU 50 CO 0.11 0.35 0.27 -0.07 -0.34 0.00 0.00 178.44 178.76 3jxc h LEU 51 N 0.30 0.50 -0.74 2.25 -0.00 -1.36 0.24 115.31 116.50 3jxc h LEU 51 Ca 0.09 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.93 3jxc h LEU 51 Cb 0.09 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 3jxc h LEU 51 CO -0.01 0.38 0.40 0.00 -0.00 0.00 0.00 178.44 179.21 3jxc h ALA 52 N 1.14 0.95 -0.14 1.53 0.00 -1.16 -2.25 119.26 119.33 3jxc h ALA 52 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3jxc h ALA 52 Cb -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3jxc h ALA 52 CO -0.03 0.46 0.06 1.25 0.00 0.00 0.00 179.25 180.99 3jxc h LEU 53 N 1.02 0.19 -1.01 0.00 5.85 -0.53 -1.20 115.31 119.64 3jxc h LEU 53 Ca 0.26 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3jxc h LEU 53 Cb 0.04 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 3jxc h LEU 53 CO -0.04 0.28 0.66 0.77 -0.34 0.00 0.00 178.44 179.77 3jxc h SER 54 N 0.08 1.12 0.16 1.25 4.64 -0.79 0.66 113.55 120.67 3jxc h SER 54 Ca 0.05 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3jxc h SER 54 Cb 0.15 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3jxc h SER 54 CO -0.00 0.78 -0.08 0.11 -0.87 0.00 0.00 176.83 176.77 3jxc h LYS 55 N 1.30 -0.21 -0.96 4.77 1.57 -1.29 -0.68 116.57 121.07 3jxc h LYS 55 Ca 0.39 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 59.34 3jxc h LYS 55 Cb -0.05 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 3jxc h LYS 55 CO -0.11 -0.02 0.61 0.00 -0.57 0.00 0.00 179.45 179.35 3jxc h ALA 56 N 0.47 1.73 -0.17 3.86 0.00 -0.80 -2.03 119.26 122.32 3jxc h ALA 56 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3jxc h ALA 56 Cb 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3jxc h ALA 56 CO 0.04 -0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.55 3jxc n LEU 57 N -4.64 2.09 -3.64 0.00 4.77 0.19 -4.95 117.00 110.83 3jxc n LEU 57 Ca 0.20 -0.84 -0.23 0.00 -0.03 0.00 0.00 56.01 55.10 3jxc n LEU 57 Cb 0.49 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.54 3jxc n LEU 57 CO 0.26 0.42 0.14 0.00 -1.33 0.00 0.00 177.39 176.89 3jxc n GLN 58 N 0.61 -6.74 -4.17 3.23 6.02 -0.51 -4.97 117.38 110.84 3jxc n GLN 58 Ca 0.17 0.76 -0.16 0.00 -0.01 0.00 0.00 57.00 57.76 3jxc n GLN 58 Cb 0.41 -5.70 -0.07 0.00 1.02 0.00 0.00 30.24 25.90 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 -3.26 6.58 0.32 0.00 1.04 -1.26 -4.26 113.70 112.86 3jxc s SER 60 Ca 0.35 1.01 0.01 0.00 0.48 0.00 0.00 55.95 57.80 3jxc s SER 60 Cb 0.02 -2.27 0.55 0.00 0.10 0.00 0.00 66.02 64.42 3jxc s SER 60 CO 0.21 -0.23 1.98 -0.65 0.98 0.00 0.00 173.24 175.53 3jxc h PRO 61 N 1.88 0.96 -0.90 4.02 0.11 -1.92 -2.47 132.00 133.68 3jxc h PRO 61 Ca -0.47 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3jxc h PRO 61 Cb 1.18 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 3jxc h PRO 61 CO 0.66 0.63 0.52 -0.44 -0.21 0.00 0.00 178.00 179.16 3jxc h ASP 62 N 0.98 1.11 -0.25 -2.05 5.19 -1.94 -1.03 116.42 118.44 3jxc h ASP 62 Ca 0.29 -0.09 0.04 0.00 -0.62 0.00 0.00 57.03 56.65 3jxc h ASP 62 Cb -0.04 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.15 3jxc h ASP 62 CO -0.07 0.87 0.04 0.22 -3.12 0.00 0.00 179.24 177.18 3jxc h TYR 63 N 1.25 0.06 -0.36 4.55 3.20 -1.51 0.95 116.97 125.12 3jxc h TYR 63 Ca 0.32 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.21 3jxc h TYR 63 Cb -0.01 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.25 3jxc h TYR 63 CO 0.01 0.01 0.22 -0.07 -1.64 0.00 0.00 178.16 176.69 3jxc h LEU 64 N 0.13 0.38 -0.30 2.82 3.38 -1.25 0.37 115.31 120.83 3jxc h LEU 64 Ca 0.11 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3jxc h LEU 64 Cb 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3jxc h LEU 64 CO -0.16 0.27 -0.12 -0.07 0.09 0.00 0.00 178.44 178.45 3jxc h LEU 65 N 0.46 0.63 -0.49 1.67 3.38 -0.87 -3.39 115.31 116.69 3jxc h LEU 65 Ca 0.14 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3jxc h LEU 65 Cb -0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3jxc h LEU 65 CO -0.05 0.88 0.00 2.29 0.09 0.00 0.00 178.44 181.66 3jxc n LYS 66 N -4.42 0.36 -1.47 1.13 2.85 0.30 -4.69 118.16 112.22 3jxc n LYS 66 Ca -0.03 -0.25 -0.00 0.00 -1.05 0.00 0.00 58.31 56.98 3jxc n LYS 66 Cb 0.36 -0.71 -0.00 0.00 -0.65 0.00 0.00 35.03 34.03 3jxc n LYS 66 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3jxc n GLY 67 N 0.12 -3.11 3.69 2.58 0.00 0.13 -5.00 105.19 103.61 3jxc n GLY 67 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3jxc n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54