#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 1.02 0.04 2.12 2.20 -1.26 -5.16 119.74 118.70 1j3d s LYS 2 Ca 0.00 -0.29 -0.11 0.00 -0.36 0.00 0.00 55.97 55.21 1j3d s LYS 2 Cb 0.00 0.47 -0.06 0.00 -1.51 0.00 0.00 37.83 36.73 1j3d s LYS 2 CO 0.00 -0.43 0.38 0.21 -0.36 0.00 0.00 175.35 175.15 1j3d s LYS 3 N -3.08 3.78 0.80 4.03 2.47 -1.26 -5.09 119.74 121.39 1j3d s LYS 3 Ca 0.02 0.21 -0.11 0.00 -1.56 0.00 0.00 55.97 54.52 1j3d s LYS 3 Cb -0.01 -3.08 0.08 0.00 -1.46 0.00 0.00 37.83 33.36 1j3d s LYS 3 CO -0.08 0.62 1.16 -0.51 0.16 0.00 0.00 175.35 176.69 1j3d s ASP 4 N -1.51 4.54 0.40 1.43 1.11 -1.26 -4.96 116.67 116.41 1j3d s ASP 4 Ca 0.29 0.74 0.21 0.00 0.18 0.00 0.00 52.55 53.97 1j3d s ASP 4 Cb -0.15 -1.25 0.79 0.00 1.07 0.00 0.00 42.92 43.39 1j3d s ASP 4 CO 0.16 -1.87 1.78 1.55 1.18 0.00 0.00 175.17 177.96 1j3d h PRO 5 N -1.01 0.00 -0.17 8.23 0.13 -2.04 -3.01 132.00 134.13 1j3d h PRO 5 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1j3d h PRO 5 Cb 1.33 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 1j3d h PRO 5 CO 0.65 0.31 0.09 -0.91 -0.23 0.00 0.00 178.00 177.91 1j3d h ASN 6 N 0.00 0.21 -4.16 1.44 2.35 -2.04 -3.43 115.58 109.94 1j3d h ASN 6 Ca -0.00 -0.01 -0.49 0.00 -0.55 0.00 0.00 56.30 55.25 1j3d h ASN 6 Cb 0.82 -0.05 0.06 0.00 0.05 0.00 0.00 38.32 39.20 1j3d h ASN 6 CO 0.04 0.18 0.38 0.00 -1.65 0.00 0.00 177.43 176.38 1j3d s ALA 7 N -5.19 2.72 -1.52 -0.83 0.00 -1.14 -4.92 121.76 110.89 1j3d s ALA 7 Ca -0.06 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.28 1j3d s ALA 7 Cb 0.17 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 1j3d s ALA 7 CO 0.70 -0.79 2.54 -0.35 0.00 0.00 0.00 175.76 177.86 1j3d n PRO 8 N -1.83 3.35 -0.85 0.00 -0.04 -1.26 -4.94 135.00 129.42 1j3d n PRO 8 Ca 0.09 -2.51 0.11 0.00 -0.04 0.00 0.00 63.50 61.15 1j3d n PRO 8 Cb 0.52 -3.02 -0.03 0.00 -0.04 0.00 0.00 33.50 30.93 1j3d n PRO 8 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1j3d n LYS 9 N 4.66 -1.68 -3.97 0.54 4.76 -1.26 -4.88 118.16 116.34 1j3d n LYS 9 Ca 0.64 1.12 -0.22 0.00 -2.87 0.00 0.00 58.31 56.98 1j3d n LYS 9 Cb 0.31 -2.07 -0.04 0.00 -1.84 0.00 0.00 35.03 31.40 1j3d n LYS 9 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1j3d s ARG 10 N -1.83 2.83 -0.34 1.97 0.52 -1.26 -5.05 118.95 115.78 1j3d s ARG 10 Ca 0.00 -1.17 -0.29 0.00 -0.52 0.00 0.00 55.73 53.75 1j3d s ARG 10 Cb 0.00 -2.52 -0.00 0.00 0.52 0.00 0.00 34.95 32.95 1j3d s ARG 10 CO 0.00 0.25 1.44 -1.25 0.02 0.00 0.00 175.30 175.76 1j3d s PRO 11 N -3.92 3.69 0.34 3.54 0.04 -1.26 -4.97 135.00 132.46 1j3d s PRO 11 Ca 0.37 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.46 1j3d s PRO 11 Cb -0.07 -3.99 -0.08 0.00 0.04 0.00 0.00 34.50 30.40 1j3d s PRO 11 CO 0.26 -1.41 0.71 -1.25 0.04 0.00 0.00 177.00 175.35 1j3d s PRO 12 N 4.72 3.89 0.18 0.56 0.04 -1.26 -5.07 135.00 138.05 1j3d s PRO 12 Ca 0.63 0.52 0.08 0.00 0.04 0.00 0.00 61.00 62.27 1j3d s PRO 12 Cb -0.17 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 1j3d s PRO 12 CO 0.29 0.12 -0.06 0.45 0.04 0.00 0.00 177.00 177.84 1j3d s SER 13 N -2.61 4.45 0.12 6.66 0.15 -1.26 -4.64 113.70 116.57 1j3d s SER 13 Ca 0.52 -0.50 -0.22 0.00 0.70 0.00 0.00 55.95 56.45 1j3d s SER 13 Cb -0.10 -0.83 -0.05 0.00 -1.71 0.00 0.00 66.02 63.32 1j3d s SER 13 CO 0.23 0.10 1.70 0.00 1.20 0.00 0.00 173.24 176.47 1j3d h ALA 14 N 2.86 0.00 0.00 5.45 0.00 -1.92 0.57 119.26 126.22 1j3d h ALA 14 Ca -0.47 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1j3d h ALA 14 Cb 1.20 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1j3d h ALA 14 CO 0.56 -0.54 -0.01 0.35 0.00 0.00 0.00 179.25 179.60 1j3d h PHE 15 N -0.10 0.00 -0.07 0.00 3.57 -1.96 -1.36 116.94 117.03 1j3d h PHE 15 Ca 0.07 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.37 1j3d h PHE 15 Cb 0.20 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 1j3d h PHE 15 CO -0.20 0.01 -0.79 0.35 -2.23 0.00 0.00 178.31 175.45 1j3d h PHE 16 N 0.00 0.61 0.00 0.41 3.04 -1.31 -2.37 116.94 117.32 1j3d h PHE 16 Ca -0.00 -0.29 0.00 0.00 3.98 0.00 0.00 57.97 61.66 1j3d h PHE 16 Cb 0.03 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.45 1j3d h PHE 16 CO 0.00 1.07 0.00 1.28 -2.02 0.00 0.00 178.31 178.64 1j3d n LEU 17 N -3.82 0.24 -0.30 0.59 4.32 -0.53 0.05 117.00 117.55 1j3d n LEU 17 Ca -0.05 0.71 -0.01 0.00 -0.02 0.00 0.00 56.01 56.63 1j3d n LEU 17 Cb 0.74 -0.33 0.02 0.00 -1.62 0.00 0.00 43.42 42.24 1j3d n LEU 17 CO 0.49 -0.33 0.45 0.33 -1.22 0.00 0.00 177.39 177.12 1j3d n PHE 18 N -1.48 -0.00 -0.18 -1.77 7.35 -1.11 0.79 117.46 121.06 1j3d n PHE 18 Ca 0.00 0.97 -0.09 0.00 -0.76 0.00 0.00 57.45 57.57 1j3d n PHE 18 Cb 0.00 -0.78 0.01 0.00 0.35 0.00 0.00 39.48 39.06 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 0.69 0.38 0.85 0.00 0.02 0.43 0.16 113.55 116.07 1j3d h SER 20 Ca 0.16 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.96 1j3d h SER 20 Cb 0.28 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 1j3d h SER 20 CO -0.00 0.25 -1.25 1.05 -1.14 0.00 0.00 176.83 175.74 1j3d h GLU 21 N 0.43 0.00 -0.55 3.45 4.11 -0.70 -3.33 114.58 117.99 1j3d h GLU 21 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 1j3d h GLU 21 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1j3d h GLU 21 CO -0.06 0.34 0.00 0.72 0.07 0.00 0.00 179.01 180.08 1j3d n HIS 22 N -2.96 1.98 0.00 2.06 8.25 -0.24 -4.45 115.22 119.88 1j3d n HIS 22 Ca -0.07 -0.75 -0.21 0.00 -0.26 0.00 0.00 57.72 56.43 1j3d n HIS 22 Cb 0.82 -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 3.79 0.24 0.00 -0.41 2.43 -1.11 -3.30 114.38 116.03 1j3d h ARG 23 Ca 0.00 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1j3d h ARG 23 Cb 1.94 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.64 1j3d h ARG 23 CO 0.47 1.19 0.00 -0.35 -1.51 0.00 0.00 179.97 179.77 1j3d n PRO 24 N -3.91 0.06 0.10 0.20 -0.04 -1.26 -3.24 135.00 126.90 1j3d n PRO 24 Ca -0.26 0.06 -0.20 0.00 -0.04 0.00 0.00 63.50 63.07 1j3d n PRO 24 Cb 0.90 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.71 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 -1.81 -3.22 116.57 116.09 1j3d h LYS 25 Ca 0.00 -0.61 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 1j3d h LYS 25 Cb 0.41 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 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 0.84 0.28 2.00 2.08 -1.20 -2.38 119.36 117.41 1j3d n ILE 26 Ca -0.15 0.19 0.12 0.00 0.56 0.00 0.00 62.75 63.48 1j3d n ILE 26 Cb 1.06 -0.99 0.17 0.00 -0.75 0.00 0.00 39.64 39.13 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 -0.02 0.38 1.57 -1.63 -2.83 116.57 114.03 1j3d h LYS 27 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1j3d h LYS 27 Cb 0.34 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.65 1j3d h LYS 27 CO 0.00 0.00 -0.33 0.77 -0.57 0.00 0.00 179.45 179.32 1j3d h SER 28 N 0.00 0.33 -0.10 0.86 0.02 -1.59 -3.22 113.55 109.85 1j3d h SER 28 Ca 0.00 -0.73 0.00 0.00 -0.84 0.00 0.00 61.79 60.22 1j3d h SER 28 Cb 0.95 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.39 1j3d h SER 28 CO 0.00 1.01 0.00 -0.62 -1.14 0.00 0.00 176.83 176.08 1j3d n GLU 29 N -4.43 1.57 -3.26 3.45 1.02 -1.25 -4.51 120.64 113.22 1j3d n GLU 29 Ca -0.09 -0.84 -0.15 0.00 -0.02 0.00 0.00 57.16 56.05 1j3d n GLU 29 Cb 0.53 -1.40 -0.06 0.00 -0.02 0.00 0.00 31.44 30.49 1j3d n GLU 29 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1j3d s HIS 30 N -1.87 -0.42 -1.06 -0.32 3.76 -1.07 -5.05 115.29 109.25 1j3d s HIS 30 Ca 0.33 -0.92 -0.25 0.00 -0.15 0.00 0.00 55.06 54.08 1j3d s HIS 30 Cb 0.18 -0.30 -0.16 0.00 1.11 0.00 0.00 32.58 33.40 1j3d s HIS 30 CO 0.27 -1.02 1.98 -0.35 -0.85 0.00 0.00 174.74 174.78 1j3d n PRO 31 N 3.84 0.96 0.00 8.40 -0.04 -1.23 -3.09 135.00 143.84 1j3d n PRO 31 Ca 0.15 -2.07 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1j3d n PRO 31 Cb 0.48 -3.69 0.00 0.00 -0.04 0.00 0.00 33.50 30.25 1j3d n PRO 31 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1j3d n GLY 32 N 5.78 0.50 3.74 0.55 0.00 -1.26 -5.15 105.19 109.36 1j3d n GLY 32 Ca 0.44 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 3.68 0.00 0.99 1.98 -1.18 -5.13 118.68 119.02 1j3d s LEU 33 Ca 0.00 -0.08 0.00 0.00 -2.89 0.00 0.00 54.13 51.16 1j3d s LEU 33 Cb 0.00 -2.37 0.00 0.00 0.66 0.00 0.00 46.19 44.48 1j3d s LEU 33 CO 0.00 0.17 0.00 -1.54 -1.89 0.00 0.00 176.35 173.09 1j3d n SER 34 N 0.43 0.53 -1.01 3.68 3.41 -1.26 -4.99 113.62 114.42 1j3d n SER 34 Ca -0.09 -0.33 0.04 0.00 -0.26 0.00 0.00 58.87 58.23 1j3d n SER 34 Cb 0.52 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.25 1.05 -0.04 -1.33 2.08 -1.26 -3.74 119.36 115.88 1j3d n ILE 35 Ca 0.00 -0.62 -0.04 0.00 0.56 0.00 0.00 62.75 62.65 1j3d n ILE 35 Cb 0.00 -0.15 -0.01 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 0.60 -0.58 0.07 7.39 0.00 -1.26 -3.74 105.19 107.66 1j3d n GLY 36 Ca 0.13 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1j3d n GLY 36 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j3d h ASP 37 N -0.48 0.08 -0.47 1.61 5.19 -1.99 -1.66 116.42 118.70 1j3d h ASP 37 Ca 0.00 -0.33 0.02 0.00 -0.62 0.00 0.00 57.03 56.10 1j3d h ASP 37 Cb 0.40 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 1j3d h ASP 37 CO 0.00 0.38 0.31 0.74 -3.12 0.00 0.00 179.24 177.55 1j3d h THR 38 N -0.23 1.07 0.00 0.35 2.02 -1.83 -0.31 112.91 113.98 1j3d h THR 38 Ca 0.01 -0.19 -0.14 0.00 0.77 0.00 0.00 66.41 66.86 1j3d h THR 38 Cb 0.35 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1j3d h THR 38 CO 0.00 0.10 -0.67 0.00 0.37 0.00 0.00 175.52 175.32 1j3d h ALA 39 N 1.72 0.83 0.02 6.16 0.00 -1.61 -1.41 119.26 124.97 1j3d h ALA 39 Ca 0.18 -0.61 -0.21 0.00 0.00 0.00 0.00 54.91 54.27 1j3d h ALA 39 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1j3d h ALA 39 CO -0.04 0.84 -0.96 0.87 0.00 0.00 0.00 179.25 179.96 1j3d h LYS 40 N 0.00 0.14 0.00 0.00 1.57 -0.24 -2.48 116.57 115.56 1j3d h LYS 40 Ca -0.01 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.49 1j3d h LYS 40 Cb 1.24 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 1j3d h LYS 40 CO 0.09 0.99 -0.69 0.87 -0.57 0.00 0.00 179.45 180.14 1j3d h LYS 41 N 0.06 0.00 0.00 3.15 1.57 -1.05 -3.23 116.57 117.07 1j3d h LYS 41 Ca -0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1j3d h LYS 41 Cb 1.64 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.95 1j3d h LYS 41 CO 0.14 0.39 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.27 1j3d h LEU 42 N 0.00 0.00 -1.98 2.94 4.07 -1.27 -3.04 115.31 116.03 1j3d h LEU 42 Ca -0.04 -0.23 0.20 0.00 0.08 0.00 0.00 57.88 57.89 1j3d h LEU 42 Cb 1.38 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 43.09 1j3d h LEU 42 CO 0.05 0.66 0.55 1.23 -1.08 0.00 0.00 178.44 179.85 1j3d h GLY 43 N -1.00 0.00 1.38 0.83 0.00 -1.61 1.08 103.07 103.74 1j3d h GLY 43 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 1j3d h GLY 43 CO -0.01 0.00 -0.69 -2.09 0.00 0.00 0.00 176.54 173.76 1j3d h GLU 44 N 0.00 0.63 0.17 4.80 4.81 -1.65 -2.39 114.58 120.95 1j3d h GLU 44 Ca 0.33 -0.47 -0.30 0.00 -0.13 0.00 0.00 59.36 58.79 1j3d h GLU 44 Cb 1.43 0.09 0.02 0.00 0.63 0.00 0.00 28.75 30.91 1j3d h GLU 44 CO -0.00 1.09 -1.34 0.52 -0.73 0.00 0.00 179.01 178.55 1j3d h MET 45 N 0.45 0.37 0.35 1.92 2.86 0.27 -2.94 114.93 118.21 1j3d h MET 45 Ca -0.02 -0.63 -0.01 0.00 -2.06 0.00 0.00 59.70 56.98 1j3d h MET 45 Cb 1.28 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 33.16 1j3d h MET 45 CO 0.13 1.30 -0.28 2.35 1.06 0.00 0.00 176.91 181.47 1j3d h TRP 46 N 0.10 -0.75 0.00 -0.22 -0.00 0.86 0.94 115.95 116.88 1j3d h TRP 46 Ca -0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.71 1j3d h TRP 46 Cb 2.05 0.28 0.00 0.00 -0.00 0.00 0.00 29.16 31.49 1j3d h TRP 46 CO 0.09 -0.42 0.00 0.45 -0.00 0.00 0.00 178.44 178.56 1j3d n SER 47 N -5.41 0.09 -0.12 2.65 2.88 -0.90 -1.63 113.62 111.18 1j3d n SER 47 Ca -0.10 0.53 0.07 0.00 -1.33 0.00 0.00 58.87 58.04 1j3d n SER 47 Cb 0.31 -0.55 -0.05 0.00 -0.75 0.00 0.00 64.21 63.17 1j3d n SER 47 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1j3d n GLU 48 N -1.61 2.02 -2.39 -1.46 -0.58 0.01 -4.98 120.64 111.65 1j3d n GLU 48 Ca 0.02 -0.27 -0.36 0.00 -0.42 0.00 0.00 57.16 56.13 1j3d n GLU 48 Cb 0.10 -1.21 -0.02 0.00 -0.57 0.00 0.00 31.44 29.74 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 -2.19 3.79 0.00 3.49 1.11 0.31 -5.03 119.66 121.13 1j3d s GLN 49 Ca 0.08 1.59 0.00 0.00 0.01 0.00 0.00 55.36 57.04 1j3d s GLN 49 Cb 0.12 -2.29 0.00 0.00 -1.01 0.00 0.00 33.01 29.82 1j3d s GLN 49 CO 0.53 -0.48 0.00 -1.13 0.01 0.00 0.00 175.29 174.22 1j3d n SER 50 N -0.65 0.00 0.28 5.90 3.41 -1.26 -4.85 113.62 116.46 1j3d n SER 50 Ca 0.08 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.87 1j3d n SER 50 Cb 0.50 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.18 1j3d n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3d h ALA 51 N -1.29 1.00 -0.08 7.33 0.00 -1.96 -3.10 119.26 121.16 1j3d h ALA 51 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j3d h ALA 51 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1j3d h ALA 51 CO 0.00 0.01 0.04 -0.22 0.00 0.00 0.00 179.25 179.07 1j3d h LYS 52 N 0.00 0.08 -2.20 0.00 3.64 -2.01 -3.06 116.57 113.02 1j3d h LYS 52 Ca -0.00 -0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.80 1j3d h LYS 52 Cb 0.47 -0.02 -0.42 0.00 -0.41 0.00 0.00 32.23 31.86 1j3d h LYS 52 CO 0.00 0.05 -0.74 -0.25 -2.27 0.00 0.00 179.45 176.24 1j3d n ASP 53 N -5.05 3.50 0.00 4.20 9.92 -1.19 -4.72 116.55 123.21 1j3d n ASP 53 Ca -0.05 -3.47 0.00 0.00 -0.53 0.00 0.00 54.79 50.74 1j3d n ASP 53 Cb 0.04 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 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 0.18 0.00 0.01 -1.24 4.81 -1.18 -4.65 118.16 116.10 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 -0.08 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 -0.13 0.00 1.64 1.08 -1.70 -2.96 115.11 113.05 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 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 1j3d h GLN 55 CO 0.00 0.38 0.00 -0.35 -0.95 0.00 0.00 178.83 177.91 1j3d n PRO 56 N -4.84 0.05 -0.00 1.46 -0.04 -1.26 -2.28 135.00 128.08 1j3d n PRO 56 Ca -0.08 0.17 -0.16 0.00 -0.04 0.00 0.00 63.50 63.40 1j3d n PRO 56 Cb 0.28 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.10 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 1.17 0.08 0.54 4.01 -1.23 -3.45 117.16 116.82 1j3d n TYR 57 Ca 0.05 0.31 0.02 0.00 -0.16 0.00 0.00 57.90 58.12 1j3d n TYR 57 Cb 0.20 -1.18 -0.03 0.00 -0.31 0.00 0.00 39.34 38.02 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 0.04 0.00 -0.01 -0.72 -0.00 -1.46 -3.10 114.58 109.33 1j3d h GLU 58 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.00 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 0.37 -0.08 1.04 -0.00 0.00 0.00 179.01 180.42 1j3d n GLN 59 N -3.03 1.12 -0.07 1.06 6.02 -0.96 -1.74 117.38 119.78 1j3d n GLN 59 Ca -0.04 -0.52 -0.06 0.00 -0.01 0.00 0.00 57.00 56.37 1j3d n GLN 59 Cb 0.78 -1.49 -0.13 0.00 1.02 0.00 0.00 30.24 30.42 1j3d n GLN 59 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1j3d n LYS 60 N -0.48 1.30 -0.06 -1.09 0.00 -1.22 -3.98 118.16 112.63 1j3d n LYS 60 Ca 0.17 -0.03 -0.09 0.00 0.00 0.00 0.00 58.31 58.36 1j3d n LYS 60 Cb 0.30 -1.41 -0.15 0.00 0.00 0.00 0.00 35.03 33.77 1j3d n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1j3d n ALA 61 N -2.53 1.50 0.09 3.14 0.00 -1.17 -3.51 120.51 118.03 1j3d n ALA 61 Ca -0.23 -1.05 -0.07 0.00 0.00 0.00 0.00 53.44 52.09 1j3d n ALA 61 Cb 0.95 -0.52 0.04 0.00 0.00 0.00 0.00 19.45 19.92 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 1.00 0.64 -0.01 0.00 0.00 -1.57 -1.38 119.26 117.95 1j3d h ALA 62 Ca -0.42 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 53.82 1j3d h ALA 62 Cb 2.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1j3d h ALA 62 CO 0.05 0.88 -0.23 1.17 0.00 0.00 0.00 179.25 181.13 1j3d n LYS 63 N -3.70 0.70 -0.04 0.00 3.00 -1.26 -3.76 118.16 113.11 1j3d n LYS 63 Ca -0.03 -0.36 0.01 0.00 -0.00 0.00 0.00 58.31 57.93 1j3d n LYS 63 Cb 0.75 -1.49 -0.12 0.00 0.00 0.00 0.00 35.03 34.17 1j3d n LYS 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1j3d n LEU 64 N -0.83 0.00 -0.04 3.14 4.77 -1.16 -4.29 117.00 118.59 1j3d n LEU 64 Ca 0.12 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.94 1j3d n LEU 64 Cb 0.33 0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1j3d n LEU 64 CO 0.26 0.17 0.34 0.50 -1.33 0.00 0.00 177.39 177.33 1j3d h LYS 65 N 0.00 0.74 -0.33 3.23 3.64 -1.36 -2.90 116.57 119.60 1j3d h LYS 65 Ca -0.19 -0.56 -0.04 0.00 -1.27 0.00 0.00 60.65 58.59 1j3d h LYS 65 Cb 1.28 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.19 1j3d h LYS 65 CO 0.01 1.18 0.05 1.49 -2.27 0.00 0.00 179.45 179.91 1j3d h GLU 66 N 0.46 0.49 0.00 1.90 4.22 -1.79 -1.80 114.58 118.07 1j3d h GLU 66 Ca -0.03 -0.08 -0.03 0.00 0.08 0.00 0.00 59.36 59.30 1j3d h GLU 66 Cb 1.26 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 1j3d h GLU 66 CO 0.13 0.48 -0.12 -0.22 -2.18 0.00 0.00 179.01 177.10 1j3d h LYS 67 N 0.48 0.00 -0.06 1.92 1.63 -1.73 -3.08 116.57 115.73 1j3d h LYS 67 Ca 0.11 0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.74 1j3d h LYS 67 Cb 0.23 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 1j3d h LYS 67 CO 0.00 0.12 -0.72 -0.92 -3.45 0.00 0.00 179.45 174.49 1j3d h TYR 68 N 0.00 0.43 -0.71 1.91 3.20 -1.12 -0.98 116.97 119.70 1j3d h TYR 68 Ca -0.00 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.68 1j3d h TYR 68 Cb 0.80 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.97 1j3d h TYR 68 CO 0.00 0.93 0.45 0.93 -1.64 0.00 0.00 178.16 178.82 1j3d h GLU 69 N 0.22 0.95 0.10 1.82 5.08 -1.44 0.32 114.58 121.63 1j3d h GLU 69 Ca -0.03 -0.07 -0.22 0.00 -1.00 0.00 0.00 59.36 58.05 1j3d h GLU 69 Cb 1.28 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1j3d h GLU 69 CO 0.12 0.64 -1.08 0.87 -1.00 0.00 0.00 179.01 178.56 1j3d h LYS 70 N 0.97 0.22 0.11 2.33 1.79 -1.64 -3.05 116.57 117.29 1j3d h LYS 70 Ca 0.26 -0.37 0.02 0.00 -2.18 0.00 0.00 60.65 58.38 1j3d h LYS 70 Cb -0.07 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 1j3d h LYS 70 CO -0.05 1.18 -0.31 -0.44 -1.08 0.00 0.00 179.45 178.75 1j3d h ASP 71 N -0.45 -0.90 0.04 0.86 3.32 -0.96 -0.69 116.42 117.64 1j3d h ASP 71 Ca -0.23 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 1j3d h ASP 71 Cb 1.61 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 41.51 1j3d h ASP 71 CO 0.06 -0.40 -0.02 0.40 -1.72 0.00 0.00 179.24 177.56 1j3d h ILE 72 N -0.52 0.73 0.02 0.35 1.08 -0.52 -0.89 117.51 117.75 1j3d h ILE 72 Ca 0.03 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.43 1j3d h ILE 72 Cb 0.56 1.04 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 1j3d h ILE 72 CO -0.19 0.02 -0.01 0.00 -0.69 0.00 0.00 178.15 177.28 1j3d h ALA 73 N 1.98 -0.03 -0.00 1.87 0.00 -1.02 0.28 119.26 122.34 1j3d h ALA 73 Ca -0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1j3d h ALA 73 Cb 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1j3d h ALA 73 CO 0.00 -0.41 -0.78 0.00 0.00 0.00 0.00 179.25 178.06 1j3d h ALA 74 N 0.73 0.71 0.00 0.00 0.00 -1.11 -3.09 119.26 116.51 1j3d h ALA 74 Ca -0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 54.91 54.11 1j3d h ALA 74 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1j3d h ALA 74 CO 0.00 0.96 -0.43 -0.92 0.00 0.00 0.00 179.25 178.86 1j3d h TYR 75 N 0.01 0.00 0.00 0.00 3.20 -1.08 -3.31 116.97 115.80 1j3d h TYR 75 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1j3d h TYR 75 Cb 1.38 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.65 1j3d h TYR 75 CO 0.00 0.43 0.00 -2.13 -1.64 0.00 0.00 178.16 174.83 1j3d n ARG 76 N -3.38 0.00 -3.93 1.82 0.63 0.97 -4.66 116.66 108.11 1j3d n ARG 76 Ca 0.01 0.49 -0.31 0.00 -0.92 0.00 0.00 57.85 57.12 1j3d n ARG 76 Cb 0.61 -1.35 -0.15 0.00 0.45 0.00 0.00 32.46 32.02 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 -2.99 2.29 -0.81 5.13 0.00 -1.23 -5.11 121.76 119.04 1j3d s ALA 77 Ca 0.00 -1.96 0.06 0.00 0.00 0.00 0.00 51.96 50.06 1j3d s ALA 77 Cb 0.00 -1.72 0.05 0.00 0.00 0.00 0.00 23.12 21.45 1j3d s ALA 77 CO 0.00 -1.52 0.71 1.17 0.00 0.00 0.00 175.76 176.11