#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3d s LYS 2 N 0.00 2.25 -0.30 0.03 -0.14 -1.26 -4.82 119.74 115.49 1j3d s LYS 2 Ca 0.00 -1.19 0.18 0.00 -1.36 0.00 0.00 55.97 53.60 1j3d s LYS 2 Cb 0.00 -2.52 0.48 0.00 -1.68 0.00 0.00 37.83 34.10 1j3d s LYS 2 CO 0.00 -0.92 1.06 1.63 -0.76 0.00 0.00 175.35 176.36 1j3d n LYS 3 N -2.40 1.85 -1.27 1.68 4.76 -1.26 -5.04 118.16 116.49 1j3d n LYS 3 Ca 0.12 -3.57 0.15 0.00 -2.87 0.00 0.00 58.31 52.14 1j3d n LYS 3 Cb 0.60 -1.59 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 1j3d n LYS 3 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1j3d n ASP 4 N -0.39 -6.91 0.09 4.39 9.92 -1.26 -3.41 116.55 118.98 1j3d n ASP 4 Ca 0.14 0.85 -0.22 0.00 -0.53 0.00 0.00 54.79 55.03 1j3d n ASP 4 Cb 0.81 -4.09 -0.14 0.00 -0.64 0.00 0.00 41.12 37.06 1j3d n ASP 4 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1j3d h PRO 5 N -1.33 0.49 -0.52 -0.24 0.13 -2.00 -3.33 132.00 125.21 1j3d h PRO 5 Ca -0.08 -0.75 -0.12 0.00 -0.87 0.00 0.00 66.00 64.18 1j3d h PRO 5 Cb 1.29 0.27 -0.02 0.00 0.13 0.00 0.00 31.00 32.67 1j3d h PRO 5 CO 0.04 1.35 -0.16 -0.91 -0.23 0.00 0.00 178.00 178.09 1j3d h ASN 6 N 0.02 1.03 -4.34 1.44 -0.26 -2.07 -3.44 115.58 107.97 1j3d h ASN 6 Ca -0.19 -0.37 -0.51 0.00 -0.56 0.00 0.00 56.30 54.67 1j3d h ASN 6 Cb 1.89 -0.28 0.06 0.00 -1.06 0.00 0.00 38.32 38.92 1j3d h ASN 6 CO 0.22 1.17 0.41 0.00 -1.06 0.00 0.00 177.43 178.17 1j3d s ALA 7 N -4.77 3.08 0.26 -0.83 0.00 -1.22 -5.03 121.76 113.24 1j3d s ALA 7 Ca -0.12 -0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.53 1j3d s ALA 7 Cb 0.13 -3.09 -0.09 0.00 0.00 0.00 0.00 23.12 20.07 1j3d s ALA 7 CO 0.87 -0.65 0.89 -1.25 0.00 0.00 0.00 175.76 175.62 1j3d s PRO 8 N -5.03 4.65 0.51 0.00 0.04 -1.26 -4.66 135.00 129.25 1j3d s PRO 8 Ca 0.56 1.31 0.07 0.00 0.04 0.00 0.00 61.00 62.98 1j3d s PRO 8 Cb -0.11 -3.06 0.05 0.00 0.04 0.00 0.00 34.50 31.42 1j3d s PRO 8 CO 0.51 0.43 0.70 0.15 0.04 0.00 0.00 177.00 178.83 1j3d s LYS 9 N -1.58 2.54 0.21 4.56 1.02 -1.26 -4.69 119.74 120.54 1j3d s LYS 9 Ca 0.44 -1.33 -0.31 0.00 0.02 0.00 0.00 55.97 54.79 1j3d s LYS 9 Cb -0.22 -2.67 -0.15 0.00 -0.52 0.00 0.00 37.83 34.27 1j3d s LYS 9 CO 0.27 -0.60 1.03 0.54 -0.92 0.00 0.00 175.35 175.66 1j3d n ARG 10 N -2.10 1.04 -1.49 1.68 1.74 -1.26 -4.95 116.66 111.31 1j3d n ARG 10 Ca 0.11 0.37 -0.29 0.00 -0.77 0.00 0.00 57.85 57.27 1j3d n ARG 10 Cb 0.60 -1.76 0.17 0.00 -1.02 0.00 0.00 32.46 30.45 1j3d n ARG 10 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1j3d s PRO 11 N -0.83 0.53 0.00 5.56 0.04 -1.26 -5.06 135.00 133.99 1j3d s PRO 11 Ca 0.68 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1j3d s PRO 11 Cb -0.83 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1j3d s PRO 11 CO 0.55 -2.57 0.00 -0.35 0.04 0.00 0.00 177.00 174.67 1j3d n PRO 12 N -3.99 -0.86 -2.45 0.56 -0.04 -1.26 -5.03 135.00 121.92 1j3d n PRO 12 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 1j3d n PRO 12 Cb 0.59 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.15 1j3d n PRO 12 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3d n SER 13 N -2.69 -1.22 0.00 3.54 2.88 -1.26 -4.88 113.62 109.99 1j3d n SER 13 Ca 0.00 -1.99 0.00 0.00 -1.33 0.00 0.00 58.87 55.55 1j3d n SER 13 Cb 0.00 0.60 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1j3d n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3d n ALA 14 N -1.15 0.00 0.31 -1.46 0.00 -1.26 -4.12 120.51 112.83 1j3d n ALA 14 Ca -0.14 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.48 1j3d n ALA 14 Cb 0.80 0.00 1.00 0.00 0.00 0.00 0.00 19.45 21.25 1j3d n ALA 14 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1j3d h PHE 15 N 0.00 0.00 -0.01 0.00 3.04 -1.96 -1.69 116.94 116.32 1j3d h PHE 15 Ca 0.00 0.00 -0.19 0.00 3.98 0.00 0.00 57.97 61.76 1j3d h PHE 15 Cb 0.00 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 1j3d h PHE 15 CO 0.00 0.01 -0.85 0.35 -2.02 0.00 0.00 178.31 175.80 1j3d h PHE 16 N 0.00 0.32 0.00 0.41 3.57 -1.94 -2.74 116.94 116.56 1j3d h PHE 16 Ca -0.00 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1j3d h PHE 16 Cb 0.02 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1j3d h PHE 16 CO 0.00 0.96 0.00 1.28 -2.23 0.00 0.00 178.31 178.32 1j3d n LEU 17 N -3.69 0.23 -0.32 0.59 4.32 -0.65 -0.39 117.00 117.10 1j3d n LEU 17 Ca -0.04 0.72 -0.03 0.00 -0.02 0.00 0.00 56.01 56.65 1j3d n LEU 17 Cb 0.79 -0.37 0.01 0.00 -1.62 0.00 0.00 43.42 42.22 1j3d n LEU 17 CO 0.48 -0.37 0.45 0.33 -1.22 0.00 0.00 177.39 177.06 1j3d n PHE 18 N -1.62 -0.06 -0.15 -1.77 7.35 -1.16 0.58 117.46 120.63 1j3d n PHE 18 Ca 0.00 1.00 -0.09 0.00 -0.76 0.00 0.00 57.45 57.60 1j3d n PHE 18 Cb 0.00 -0.75 0.00 0.00 0.35 0.00 0.00 39.48 39.08 1j3d n PHE 18 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1j3d h SER 20 N 0.57 0.41 0.79 0.00 0.87 0.30 -0.24 113.55 116.26 1j3d h SER 20 Ca 0.15 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.55 1j3d h SER 20 Cb 0.15 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1j3d h SER 20 CO -0.02 0.26 -1.31 1.05 -0.53 0.00 0.00 176.83 176.29 1j3d h GLU 21 N 0.46 0.00 -0.55 2.24 4.11 -0.52 -3.34 114.58 116.99 1j3d h GLU 21 Ca 0.25 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.67 1j3d h GLU 21 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1j3d h GLU 21 CO -0.07 0.33 0.02 0.72 0.07 0.00 0.00 179.01 180.07 1j3d n HIS 22 N -2.94 1.98 0.01 2.06 8.25 0.04 -4.46 115.22 120.15 1j3d n HIS 22 Ca -0.08 -0.78 -0.21 0.00 -0.26 0.00 0.00 57.72 56.38 1j3d n HIS 22 Cb 0.83 -0.50 -0.14 0.00 1.12 0.00 0.00 29.99 31.30 1j3d n HIS 22 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1j3d h ARG 23 N 3.65 0.24 0.00 -0.41 2.43 -1.19 -3.32 114.38 115.79 1j3d h ARG 23 Ca 0.02 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1j3d h ARG 23 Cb 1.95 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.65 1j3d h ARG 23 CO 0.48 1.20 0.00 -0.35 -1.51 0.00 0.00 179.97 179.79 1j3d n PRO 24 N -3.91 0.13 0.10 0.20 -0.04 -1.26 -3.12 135.00 127.10 1j3d n PRO 24 Ca -0.25 0.08 -0.20 0.00 -0.04 0.00 0.00 63.50 63.09 1j3d n PRO 24 Cb 0.90 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.72 1j3d n PRO 24 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1j3d h LYS 25 N 0.00 0.36 0.00 0.54 3.64 -1.82 -3.23 116.57 116.07 1j3d h LYS 25 Ca 0.00 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 1j3d h LYS 25 Cb 0.34 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1j3d h LYS 25 CO 0.00 1.27 0.00 -0.89 -2.27 0.00 0.00 179.45 177.56 1j3d n ILE 26 N -3.57 0.73 0.23 2.00 2.08 -1.18 -2.62 119.36 117.03 1j3d n ILE 26 Ca -0.15 0.12 0.12 0.00 0.56 0.00 0.00 62.75 63.40 1j3d n ILE 26 Cb 1.06 -0.93 0.20 0.00 -0.75 0.00 0.00 39.64 39.23 1j3d n ILE 26 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1j3d h LYS 27 N 0.00 0.00 0.10 0.38 1.57 -1.61 -2.63 116.57 114.39 1j3d h LYS 27 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1j3d h LYS 27 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1j3d h LYS 27 CO 0.00 0.00 -0.05 0.77 -0.57 0.00 0.00 179.45 179.60 1j3d h SER 28 N 0.00 -0.12 -0.01 0.86 0.02 -1.63 -3.20 113.55 109.48 1j3d h SER 28 Ca 0.00 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1j3d h SER 28 Cb 0.97 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1j3d h SER 28 CO 0.00 0.47 0.00 -0.62 -1.14 0.00 0.00 176.83 175.54 1j3d n GLU 29 N -4.87 1.16 -3.38 3.45 -0.58 -1.25 -4.48 120.64 110.69 1j3d n GLU 29 Ca -0.08 -0.23 -0.17 0.00 -0.42 0.00 0.00 57.16 56.25 1j3d n GLU 29 Cb 0.28 -1.47 -0.09 0.00 -0.57 0.00 0.00 31.44 29.60 1j3d n GLU 29 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1j3d s HIS 30 N -1.99 -0.34 -0.20 -0.32 3.76 -0.99 -4.98 115.29 110.23 1j3d s HIS 30 Ca 0.43 -0.56 0.26 0.00 -0.15 0.00 0.00 55.06 55.04 1j3d s HIS 30 Cb 0.21 -0.45 1.24 0.00 1.11 0.00 0.00 32.58 34.69 1j3d s HIS 30 CO 0.34 -0.95 1.78 -1.00 -0.85 0.00 0.00 174.74 174.07 1j3d h PRO 31 N 7.59 0.00 -1.87 8.40 0.13 -1.78 -3.29 132.00 141.18 1j3d h PRO 31 Ca -0.03 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.60 1j3d h PRO 31 Cb 1.06 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.85 1j3d h PRO 31 CO 0.26 0.00 -0.95 0.41 -0.23 0.00 0.00 178.00 177.50 1j3d n GLY 32 N -0.66 2.00 3.66 1.56 0.00 -1.26 -5.09 105.19 105.40 1j3d n GLY 32 Ca -0.00 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 1j3d n GLY 32 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j3d s LEU 33 N -0.46 3.49 0.00 0.99 1.98 -1.24 -5.12 118.68 118.33 1j3d s LEU 33 Ca 0.33 0.10 0.00 0.00 -2.89 0.00 0.00 54.13 51.68 1j3d s LEU 33 Cb 0.11 -1.80 0.00 0.00 0.66 0.00 0.00 46.19 45.16 1j3d s LEU 33 CO -0.15 0.37 0.00 -1.54 -1.89 0.00 0.00 176.35 173.14 1j3d n SER 34 N 2.11 0.56 -0.06 3.68 3.41 -1.26 -4.97 113.62 117.09 1j3d n SER 34 Ca -0.18 -0.80 0.15 0.00 -0.26 0.00 0.00 58.87 57.78 1j3d n SER 34 Cb 0.53 0.00 0.82 0.00 -0.26 0.00 0.00 64.21 65.31 1j3d n SER 34 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1j3d n ILE 35 N -0.58 0.00 0.42 -1.33 2.08 -1.26 -3.13 119.36 115.57 1j3d n ILE 35 Ca 0.00 -0.03 0.05 0.00 0.56 0.00 0.00 62.75 63.33 1j3d n ILE 35 Cb 0.00 -0.36 0.20 0.00 -0.75 0.00 0.00 39.64 38.73 1j3d n ILE 35 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1j3d n GLY 36 N 1.12 1.46 2.04 7.39 0.00 -1.26 -3.85 105.19 112.08 1j3d n GLY 36 Ca 0.20 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1j3d n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j3d n ASP 37 N 0.54 -0.74 0.04 1.61 8.00 -1.22 -4.77 116.55 120.02 1j3d n ASP 37 Ca 0.14 0.30 0.04 0.00 0.71 0.00 0.00 54.79 55.98 1j3d n ASP 37 Cb 0.51 0.85 0.43 0.00 -0.02 0.00 0.00 41.12 42.89 1j3d n ASP 37 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1j3d h THR 38 N 0.00 1.11 0.00 -3.53 2.02 -1.77 0.33 112.91 111.07 1j3d h THR 38 Ca 0.00 -0.32 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 1j3d h THR 38 Cb 0.00 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1j3d h THR 38 CO 0.00 0.13 -0.36 0.00 0.37 0.00 0.00 175.52 175.66 1j3d h ALA 39 N 1.73 0.92 0.07 6.16 0.00 -1.79 -0.92 119.26 125.42 1j3d h ALA 39 Ca 0.12 -0.33 -0.26 0.00 0.00 0.00 0.00 54.91 54.43 1j3d h ALA 39 Cb 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1j3d h ALA 39 CO -0.02 0.46 -1.26 0.87 0.00 0.00 0.00 179.25 179.29 1j3d h LYS 40 N 0.00 0.15 0.00 0.00 1.57 -1.36 -2.76 116.57 114.16 1j3d h LYS 40 Ca -0.00 -0.25 -0.10 0.00 -1.87 0.00 0.00 60.65 58.43 1j3d h LYS 40 Cb 0.98 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1j3d h LYS 40 CO 0.05 1.05 -0.62 -0.22 -0.57 0.00 0.00 179.45 179.14 1j3d h LYS 41 N 0.04 0.00 0.00 3.15 3.64 -0.91 -3.17 116.57 119.31 1j3d h LYS 41 Ca -0.13 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1j3d h LYS 41 Cb 1.91 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.73 1j3d h LYS 41 CO 0.16 0.38 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.58 1j3d h LEU 42 N 0.00 0.00 -2.18 5.20 4.07 -1.24 -2.96 115.31 118.20 1j3d h LEU 42 Ca -0.03 -0.73 0.06 0.00 0.08 0.00 0.00 57.88 57.26 1j3d h LEU 42 Cb 1.35 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.08 1j3d h LEU 42 CO 0.05 0.90 0.19 1.23 -1.08 0.00 0.00 178.44 179.73 1j3d h GLY 43 N -1.00 0.00 1.20 0.83 0.00 -1.63 0.94 103.07 103.40 1j3d h GLY 43 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.08 1j3d h GLY 43 CO -0.01 0.00 -0.87 -2.09 0.00 0.00 0.00 176.54 173.57 1j3d h GLU 44 N 0.00 0.76 0.08 4.80 4.57 -1.62 -2.28 114.58 120.89 1j3d h GLU 44 Ca 0.09 -0.68 -0.26 0.00 -1.18 0.00 0.00 59.36 57.33 1j3d h GLU 44 Cb 0.46 0.16 0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1j3d h GLU 44 CO -0.00 1.28 -1.13 0.52 -1.18 0.00 0.00 179.01 178.50 1j3d h MET 45 N 0.49 0.41 0.41 1.92 2.86 -0.76 -2.93 114.93 117.33 1j3d h MET 45 Ca -0.08 -0.55 -0.01 0.00 -2.06 0.00 0.00 59.70 57.00 1j3d h MET 45 Cb 1.51 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 33.34 1j3d h MET 45 CO 0.18 1.21 -0.25 2.35 1.06 0.00 0.00 176.91 181.45 1j3d h TRP 46 N 0.18 -0.67 0.00 -0.22 -0.00 0.77 0.36 115.95 116.37 1j3d h TRP 46 Ca -0.13 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.76 1j3d h TRP 46 Cb 1.81 0.24 0.00 0.00 -0.00 0.00 0.00 29.16 31.21 1j3d h TRP 46 CO 0.07 -0.39 0.00 0.43 -0.00 0.00 0.00 178.44 178.55 1j3d n SER 47 N -5.39 0.24 -0.00 2.65 7.64 -0.86 -1.27 113.62 116.63 1j3d n SER 47 Ca -0.11 0.59 0.10 0.00 1.01 0.00 0.00 58.87 60.46 1j3d n SER 47 Cb 0.29 -0.63 -0.14 0.00 -1.01 0.00 0.00 64.21 62.72 1j3d n SER 47 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1j3d n GLU 48 N -1.80 0.38 -2.19 1.43 -0.58 -0.18 -4.95 120.64 112.75 1j3d n GLU 48 Ca 0.01 -0.08 -0.38 0.00 -0.42 0.00 0.00 57.16 56.29 1j3d n GLU 48 Cb 0.08 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.46 1j3d n GLU 48 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1j3d s GLN 49 N -3.15 3.84 0.00 3.49 1.11 0.11 -5.02 119.66 120.04 1j3d s GLN 49 Ca 0.02 1.90 0.00 0.00 0.01 0.00 0.00 55.36 57.29 1j3d s GLN 49 Cb 0.15 -2.54 0.00 0.00 -1.01 0.00 0.00 33.01 29.61 1j3d s GLN 49 CO 0.86 -0.52 0.00 -1.13 0.01 0.00 0.00 175.29 174.51 1j3d n SER 50 N -0.25 0.00 -0.04 5.90 3.41 -1.26 -4.89 113.62 116.50 1j3d n SER 50 Ca 0.06 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.68 1j3d n SER 50 Cb 0.46 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.30 1j3d n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3d n ALA 51 N -3.00 2.13 -0.02 7.33 0.00 -1.26 -4.16 120.51 121.53 1j3d n ALA 51 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 53.44 52.71 1j3d n ALA 51 Cb 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 1j3d n ALA 51 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1j3d h LYS 52 N 0.00 -0.13 -2.20 0.00 1.63 -2.01 -2.95 116.57 110.91 1j3d h LYS 52 Ca -0.18 0.01 -0.57 0.00 -0.85 0.00 0.00 60.65 59.05 1j3d h LYS 52 Cb 1.26 0.03 -0.41 0.00 -0.60 0.00 0.00 32.23 32.51 1j3d h LYS 52 CO 0.01 -0.09 -0.74 -0.25 -3.45 0.00 0.00 179.45 174.93 1j3d n ASP 53 N -5.28 3.48 0.00 4.20 9.92 -1.26 -4.71 116.55 122.89 1j3d n ASP 53 Ca -0.02 -3.46 0.00 0.00 -0.53 0.00 0.00 54.79 50.77 1j3d n ASP 53 Cb 0.20 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 40.07 1j3d n ASP 53 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1j3d n LYS 54 N 0.21 0.00 0.00 -1.24 4.81 -1.23 -4.75 118.16 115.96 1j3d n LYS 54 Ca 0.29 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.62 1j3d n LYS 54 Cb 0.45 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.41 1j3d n LYS 54 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1j3d h GLN 55 N 0.00 -0.10 0.00 1.64 1.08 -1.68 -3.00 115.11 113.05 1j3d h GLN 55 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1j3d h GLN 55 Cb 0.00 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1j3d h GLN 55 CO 0.00 0.45 0.00 -0.35 -0.95 0.00 0.00 178.83 177.98 1j3d n PRO 56 N -4.82 0.05 -0.00 1.46 -0.04 -1.26 -2.99 135.00 127.40 1j3d n PRO 56 Ca -0.08 0.14 -0.17 0.00 -0.04 0.00 0.00 63.50 63.35 1j3d n PRO 56 Cb 0.30 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.12 1j3d n PRO 56 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1j3d n TYR 57 N -1.46 1.20 0.14 0.54 4.01 -1.23 -3.67 117.16 116.69 1j3d n TYR 57 Ca 0.06 0.30 0.02 0.00 -0.16 0.00 0.00 57.90 58.11 1j3d n TYR 57 Cb 0.23 -1.17 0.06 0.00 -0.31 0.00 0.00 39.34 38.14 1j3d n TYR 57 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 1j3d h GLU 58 N 0.05 0.00 0.20 -0.72 -0.00 -1.53 -3.21 114.58 109.37 1j3d h GLU 58 Ca -0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 58.97 1j3d h GLU 58 Cb 2.03 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.78 1j3d h GLU 58 CO 0.09 0.56 -0.09 1.96 -0.00 0.00 0.00 179.01 181.52 1j3d h GLN 59 N 0.00 -0.25 -0.23 1.06 1.08 -1.69 -0.25 115.11 114.82 1j3d h GLN 59 Ca -0.01 0.02 0.07 0.00 -1.45 0.00 0.00 58.65 57.28 1j3d h GLN 59 Cb 1.36 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.84 1j3d h GLN 59 CO 0.07 -0.17 0.57 -0.22 -0.95 0.00 0.00 178.83 178.13 1j3d h LYS 60 N -0.48 0.00 0.10 1.46 3.64 -1.71 0.80 116.57 120.38 1j3d h LYS 60 Ca -0.03 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.00 1j3d h LYS 60 Cb 0.20 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1j3d h LYS 60 CO 0.04 0.00 -1.98 0.00 -2.27 0.00 0.00 179.45 175.25 1j3d n ALA 61 N -1.99 1.03 -0.10 5.00 0.00 -1.21 -3.27 120.51 119.96 1j3d n ALA 61 Ca 0.04 -0.65 -0.04 0.00 0.00 0.00 0.00 53.44 52.78 1j3d n ALA 61 Cb 0.67 -0.68 0.18 0.00 0.00 0.00 0.00 19.45 19.62 1j3d n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3d h ALA 62 N 0.25 1.14 -0.00 0.00 0.00 0.99 0.35 119.26 121.98 1j3d h ALA 62 Ca -0.41 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1j3d h ALA 62 Cb 2.03 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1j3d h ALA 62 CO 0.08 0.56 -0.17 1.17 0.00 0.00 0.00 179.25 180.89 1j3d n LYS 63 N -4.23 0.23 -0.08 0.00 4.81 -0.60 -3.49 118.16 114.79 1j3d n LYS 63 Ca 0.03 -0.07 -0.09 0.00 -0.87 0.00 0.00 58.31 57.30 1j3d n LYS 63 Cb 0.29 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.68 1j3d n LYS 63 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1j3d n LEU 64 N -1.32 0.16 0.09 3.14 4.77 -0.83 -4.11 117.00 118.89 1j3d n LEU 64 Ca 0.09 0.08 -0.13 0.00 -0.03 0.00 0.00 56.01 56.02 1j3d n LEU 64 Cb 0.32 0.42 -0.08 0.00 -2.33 0.00 0.00 43.42 41.75 1j3d n LEU 64 CO 0.28 0.46 0.61 0.50 -1.33 0.00 0.00 177.39 177.92 1j3d h LYS 65 N 0.00 -0.22 -0.33 3.23 3.64 -1.01 -2.70 116.57 119.19 1j3d h LYS 65 Ca -0.48 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.00 1j3d h LYS 65 Cb 2.17 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 34.02 1j3d h LYS 65 CO 0.04 0.12 0.31 1.49 -2.27 0.00 0.00 179.45 179.14 1j3d h GLU 66 N -0.57 0.00 0.00 1.90 4.81 -1.77 0.11 114.58 119.06 1j3d h GLU 66 Ca -0.02 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1j3d h GLU 66 Cb 0.43 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1j3d h GLU 66 CO 0.04 0.00 -0.55 -0.22 -0.73 0.00 0.00 179.01 177.55 1j3d h LYS 67 N 0.00 0.00 -0.51 1.92 3.64 -1.66 -3.27 116.57 116.69 1j3d h LYS 67 Ca 0.15 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.47 1j3d h LYS 67 Cb 0.78 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1j3d h LYS 67 CO -0.00 0.55 0.08 -0.92 -2.27 0.00 0.00 179.45 176.89 1j3d h TYR 68 N 0.00 0.91 -0.21 1.91 3.20 -0.46 0.50 116.97 122.82 1j3d h TYR 68 Ca -0.01 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.76 1j3d h TYR 68 Cb 1.38 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 1j3d h TYR 68 CO 0.00 0.82 0.14 0.93 -1.64 0.00 0.00 178.16 178.41 1j3d h GLU 69 N 0.73 0.19 0.08 1.82 5.08 -1.59 0.44 114.58 121.33 1j3d h GLU 69 Ca 0.16 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 58.17 1j3d h GLU 69 Cb 0.41 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 1j3d h GLU 69 CO 0.01 0.13 -1.88 1.63 -1.00 0.00 0.00 179.01 177.90 1j3d n LYS 70 N -4.50 0.71 0.34 2.33 5.02 -0.98 -3.23 118.16 117.84 1j3d n LYS 70 Ca 0.01 0.28 -0.16 0.00 -2.02 0.00 0.00 58.31 56.41 1j3d n LYS 70 Cb 0.14 -1.74 -0.08 0.00 -0.02 0.00 0.00 35.03 33.32 1j3d n LYS 70 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1j3d h ASP 71 N 0.05 -0.73 -0.31 4.39 5.19 0.60 -2.42 116.42 123.19 1j3d h ASP 71 Ca -0.37 -0.02 0.09 0.00 -0.62 0.00 0.00 57.03 56.11 1j3d h ASP 71 Cb 2.03 0.19 -0.01 0.00 0.18 0.00 0.00 39.33 41.71 1j3d h ASP 71 CO 0.09 -0.42 0.23 0.40 -3.12 0.00 0.00 179.24 176.41 1j3d h ILE 72 N -1.02 0.85 0.22 0.35 1.08 -0.33 0.24 117.51 118.89 1j3d h ILE 72 Ca -0.09 -0.01 -0.01 0.00 -0.39 0.00 0.00 64.86 64.36 1j3d h ILE 72 Cb 0.70 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1j3d h ILE 72 CO 0.14 0.00 -0.11 0.00 -0.69 0.00 0.00 178.15 177.50 1j3d h ALA 73 N 1.84 -0.30 -0.04 1.87 0.00 -1.46 0.02 119.26 121.19 1j3d h ALA 73 Ca 0.15 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1j3d h ALA 73 Cb 0.57 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1j3d h ALA 73 CO -0.00 -0.52 -0.84 0.00 0.00 0.00 0.00 179.25 177.88 1j3d h ALA 74 N 0.12 0.45 0.00 0.00 0.00 -0.99 -3.08 119.26 115.76 1j3d h ALA 74 Ca -0.03 -0.66 -0.04 0.00 0.00 0.00 0.00 54.91 54.18 1j3d h ALA 74 Cb 0.43 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1j3d h ALA 74 CO 0.05 0.78 -0.21 -0.92 0.00 0.00 0.00 179.25 178.95 1j3d h TYR 75 N 0.27 0.00 -0.00 0.00 5.03 -0.56 -2.33 116.97 119.37 1j3d h TYR 75 Ca -0.06 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.25 1j3d h TYR 75 Cb 1.45 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.73 1j3d h TYR 75 CO 0.06 0.21 -0.07 -2.13 -1.32 0.00 0.00 178.16 174.91 1j3d n ARG 76 N -3.53 0.67 -3.80 1.82 0.63 -0.01 -4.46 116.66 107.98 1j3d n ARG 76 Ca -0.01 -0.16 -0.29 0.00 -0.92 0.00 0.00 57.85 56.47 1j3d n ARG 76 Cb 0.37 -1.50 -0.13 0.00 0.45 0.00 0.00 32.46 31.65 1j3d n ARG 76 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j3d s ALA 77 N -2.44 2.77 0.00 5.13 0.00 -0.88 -5.08 121.76 121.26 1j3d s ALA 77 Ca 0.31 -3.03 0.00 0.00 0.00 0.00 0.00 51.96 49.24 1j3d s ALA 77 Cb 0.20 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1j3d s ALA 77 CO 0.46 -2.05 0.15 1.17 0.00 0.00 0.00 175.76 175.49