#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3d n LYS 2 N 0.00 0.16 -2.79 0.03 5.02 -1.26 -5.06 118.16 114.26 1j3d n LYS 2 Ca 0.00 -0.80 -0.03 0.00 -2.02 0.00 0.00 58.31 55.46 1j3d n LYS 2 Cb 0.00 0.72 -0.02 0.00 -0.02 0.00 0.00 35.03 35.71 1j3d n LYS 2 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1j3d n LYS 3 N -0.16 -3.26 -1.65 1.97 4.81 -1.26 -4.96 118.16 113.66 1j3d n LYS 3 Ca 0.01 2.59 -0.29 0.00 -0.87 0.00 0.00 58.31 59.75 1j3d n LYS 3 Cb 0.16 -3.76 0.10 0.00 0.02 0.00 0.00 35.03 31.55 1j3d n LYS 3 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1j3d s ASP 4 N -0.71 4.28 0.19 3.14 1.01 -1.26 -4.97 116.67 118.35 1j3d s ASP 4 Ca -0.15 1.08 -0.01 0.00 0.71 0.00 0.00 52.55 54.19 1j3d s ASP 4 Cb 0.01 -1.73 0.11 0.00 1.01 0.00 0.00 42.92 42.32 1j3d s ASP 4 CO 0.54 -2.08 1.48 1.55 0.21 0.00 0.00 175.17 176.87 1j3d h PRO 5 N -1.17 0.40 0.05 8.23 0.13 -1.99 -3.22 132.00 134.44 1j3d h PRO 5 Ca -0.48 -0.30 -0.26 0.00 -0.87 0.00 0.00 66.00 64.10 1j3d h PRO 5 Cb 1.30 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 1j3d h PRO 5 CO 0.62 0.92 -1.29 -0.91 -0.23 0.00 0.00 178.00 177.12 1j3d h ASN 6 N 0.29 0.16 -3.69 1.44 2.35 -2.02 -3.47 115.58 110.65 1j3d h ASN 6 Ca -0.02 -0.20 -0.49 0.00 -0.55 0.00 0.00 56.30 55.04 1j3d h ASN 6 Cb 1.21 -0.05 0.21 0.00 0.05 0.00 0.00 38.32 39.74 1j3d h ASN 6 CO 0.11 1.16 -0.06 0.00 -1.65 0.00 0.00 177.43 176.99 1j3d n ALA 7 N -2.49 -1.95 -1.79 -0.83 0.00 -1.22 -4.97 120.51 107.26 1j3d n ALA 7 Ca -0.08 -0.81 -0.32 0.00 0.00 0.00 0.00 53.44 52.23 1j3d n ALA 7 Cb 1.00 -2.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.41 1j3d n ALA 7 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j3d s PRO 8 N -4.33 3.68 0.70 0.00 0.04 -1.26 -4.83 135.00 128.99 1j3d s PRO 8 Ca 0.65 0.97 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 1j3d s PRO 8 Cb -0.23 -2.09 0.18 0.00 0.04 0.00 0.00 34.50 32.40 1j3d s PRO 8 CO 0.62 -0.50 0.40 1.63 0.04 0.00 0.00 177.00 179.20 1j3d n LYS 9 N -2.00 -3.26 -2.69 4.56 5.02 -1.26 -4.92 118.16 113.61 1j3d n LYS 9 Ca 0.07 -0.68 -0.39 0.00 -2.02 0.00 0.00 58.31 55.29 1j3d n LYS 9 Cb 0.54 -0.90 -0.06 0.00 -0.02 0.00 0.00 35.03 34.59 1j3d n LYS 9 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1j3d s ARG 10 N -3.91 4.65 0.20 1.97 0.52 -1.26 -5.01 118.95 116.10 1j3d s ARG 10 Ca 0.31 1.49 -0.30 0.00 -0.52 0.00 0.00 55.73 56.71 1j3d s ARG 10 Cb -0.06 -3.01 -0.08 0.00 0.52 0.00 0.00 34.95 32.32 1j3d s ARG 10 CO 0.26 0.31 1.14 -1.25 0.02 0.00 0.00 175.30 175.78 1j3d s PRO 11 N -1.68 4.56 0.91 3.54 0.04 -1.26 -5.04 135.00 136.07 1j3d s PRO 11 Ca 0.47 1.80 -0.15 0.00 0.04 0.00 0.00 61.00 63.15 1j3d s PRO 11 Cb -0.24 -3.25 0.22 0.00 0.04 0.00 0.00 34.50 31.28 1j3d s PRO 11 CO 0.30 0.03 0.94 -0.35 0.04 0.00 0.00 177.00 177.96 1j3d n PRO 12 N 2.21 -2.15 -2.39 0.56 -0.04 -1.26 -5.04 135.00 126.90 1j3d n PRO 12 Ca 0.03 -1.48 -0.03 0.00 -0.04 0.00 0.00 63.50 61.98 1j3d n PRO 12 Cb 0.45 -1.23 0.10 0.00 -0.04 0.00 0.00 33.50 32.78 1j3d n PRO 12 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1j3d n SER 13 N -4.22 -1.33 0.00 3.54 7.64 -1.26 -4.89 113.62 113.09 1j3d n SER 13 Ca 0.12 -2.12 0.00 0.00 1.01 0.00 0.00 58.87 57.89 1j3d n SER 13 Cb 0.47 0.60 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 1j3d n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j3d n ALA 14 N -1.28 0.00 0.28 -0.43 0.00 -1.26 -4.02 120.51 113.81 1j3d n ALA 14 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.38 1j3d n ALA 14 Cb 0.83 0.00 0.79 0.00 0.00 0.00 0.00 19.45 21.08 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 -0.08 0.00 3.57 -1.96 -1.50 116.94 116.97 1j3d h PHE 15 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1j3d h PHE 15 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1j3d h PHE 15 CO 0.00 0.01 -0.49 0.35 -2.23 0.00 0.00 178.31 175.95 1j3d h PHE 16 N 0.00 0.26 0.00 0.41 3.04 -1.94 -2.40 116.94 116.31 1j3d h PHE 16 Ca -0.00 -0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.87 1j3d h PHE 16 Cb 0.03 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.49 1j3d h PHE 16 CO 0.00 0.67 0.00 1.28 -2.02 0.00 0.00 178.31 178.24 1j3d n LEU 17 N -3.96 0.14 -0.32 0.59 4.32 -0.57 -0.43 117.00 116.77 1j3d n LEU 17 Ca -0.02 0.76 -0.03 0.00 -0.02 0.00 0.00 56.01 56.70 1j3d n LEU 17 Cb 0.54 -0.43 -0.00 0.00 -1.62 0.00 0.00 43.42 41.90 1j3d n LEU 17 CO 0.43 -0.43 0.45 0.33 -1.22 0.00 0.00 177.39 176.94 1j3d n PHE 18 N -1.79 -0.10 -0.20 -1.77 7.35 -1.16 0.61 117.46 120.40 1j3d n PHE 18 Ca 0.00 1.00 -0.08 0.00 -0.76 0.00 0.00 57.45 57.61 1j3d n PHE 18 Cb 0.00 -0.72 0.02 0.00 0.35 0.00 0.00 39.48 39.13 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 0.80 0.28 0.68 0.00 0.87 0.30 0.11 113.55 116.58 1j3d h SER 20 Ca 0.18 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.54 1j3d h SER 20 Cb 0.28 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.15 1j3d h SER 20 CO -0.01 0.17 -1.46 1.05 -0.53 0.00 0.00 176.83 176.06 1j3d h GLU 21 N 0.31 0.00 -0.60 2.24 4.11 -0.72 -3.34 114.58 116.57 1j3d h GLU 21 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 1j3d h GLU 21 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1j3d h GLU 21 CO -0.05 0.39 0.00 0.72 0.07 0.00 0.00 179.01 180.14 1j3d n HIS 22 N -2.98 1.90 0.04 2.06 8.25 -0.47 -4.47 115.22 119.56 1j3d n HIS 22 Ca -0.11 -0.70 -0.20 0.00 -0.26 0.00 0.00 57.72 56.45 1j3d n HIS 22 Cb 0.91 -0.43 -0.14 0.00 1.12 0.00 0.00 29.99 31.45 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 4.02 0.28 0.00 -0.41 2.43 -1.13 -3.26 114.38 116.32 1j3d h ARG 23 Ca 0.00 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1j3d h ARG 23 Cb 1.82 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 1j3d h ARG 23 CO 0.41 1.23 0.00 -0.35 -1.51 0.00 0.00 179.97 179.75 1j3d n PRO 24 N -4.09 0.38 0.01 0.20 -0.04 -1.26 -3.25 135.00 126.94 1j3d n PRO 24 Ca -0.16 0.06 -0.22 0.00 -0.04 0.00 0.00 63.50 63.14 1j3d n PRO 24 Cb 0.83 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.65 1j3d n PRO 24 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1j3d n LYS 25 N -1.24 0.76 0.25 0.54 3.00 -1.24 -3.89 118.16 116.34 1j3d n LYS 25 Ca 0.12 0.27 0.14 0.00 -0.00 0.00 0.00 58.31 58.83 1j3d n LYS 25 Cb 0.16 -1.72 0.56 0.00 0.00 0.00 0.00 35.03 34.03 1j3d n LYS 25 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1j3d h ILE 26 N 0.06 0.26 0.00 3.15 1.08 -1.59 -2.66 117.51 117.81 1j3d h ILE 26 Ca -0.42 -0.81 0.00 0.00 -0.39 0.00 0.00 64.86 63.24 1j3d h ILE 26 Cb 2.03 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 37.43 1j3d h ILE 26 CO 0.09 0.10 0.00 0.11 -0.69 0.00 0.00 178.15 177.76 1j3d h LYS 27 N 0.00 0.00 0.01 2.37 1.57 -1.69 -2.73 116.57 116.10 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 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1j3d h LYS 27 CO 0.01 0.00 -0.01 0.77 -0.57 0.00 0.00 179.45 179.66 1j3d h SER 28 N 0.00 -0.01 -0.04 0.86 0.02 -1.58 -3.18 113.55 109.61 1j3d h SER 28 Ca 0.00 -0.69 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 1j3d h SER 28 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1j3d h SER 28 CO 0.00 0.69 0.00 -0.62 -1.14 0.00 0.00 176.83 175.76 1j3d n GLU 29 N -4.76 1.23 -3.23 3.45 -0.58 -1.24 -4.42 120.64 111.09 1j3d n GLU 29 Ca -0.09 -0.34 -0.14 0.00 -0.42 0.00 0.00 57.16 56.17 1j3d n GLU 29 Cb 0.34 -1.35 -0.06 0.00 -0.57 0.00 0.00 31.44 29.81 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 -1.94 -0.47 0.05 -0.32 3.76 -1.03 -5.10 115.29 110.23 1j3d s HIS 30 Ca 0.32 -0.93 -0.31 0.00 -0.15 0.00 0.00 55.06 53.99 1j3d s HIS 30 Cb 0.15 -0.27 -0.07 0.00 1.11 0.00 0.00 32.58 33.50 1j3d s HIS 30 CO 0.25 -1.03 1.49 -1.25 -0.85 0.00 0.00 174.74 173.35 1j3d s PRO 31 N 1.11 4.26 0.00 8.40 0.04 -1.22 -2.01 135.00 145.58 1j3d s PRO 31 Ca 0.22 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.40 1j3d s PRO 31 Cb -0.08 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1j3d s PRO 31 CO -0.06 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1j3d n GLY 32 N 3.74 2.22 3.50 0.56 0.00 -1.26 -4.99 105.19 108.96 1j3d n GLY 32 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1j3d n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1j3d n LEU 33 N 0.00 1.82 0.00 0.99 -0.00 -0.85 -4.92 117.00 114.04 1j3d n LEU 33 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 56.01 56.03 1j3d n LEU 33 Cb 0.00 -1.31 0.00 0.00 -0.00 0.00 0.00 43.42 42.11 1j3d n LEU 33 CO 0.00 -1.03 0.00 -1.54 -0.00 0.00 0.00 177.39 174.82 1j3d n SER 34 N 12.24 -1.71 -1.37 1.96 3.41 -1.26 -4.86 113.62 122.04 1j3d n SER 34 Ca 0.45 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 59.11 1j3d n SER 34 Cb 0.31 0.00 0.27 0.00 -0.26 0.00 0.00 64.21 64.53 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 -2.80 1.67 -0.11 -1.33 2.08 -1.26 -4.16 119.36 113.45 1j3d n ILE 35 Ca 0.00 -0.91 -0.16 0.00 0.56 0.00 0.00 62.75 62.24 1j3d n ILE 35 Cb 0.00 -0.22 -0.05 0.00 -0.75 0.00 0.00 39.64 38.62 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 -0.51 0.26 7.39 0.00 -1.26 -3.56 105.19 108.12 1j3d n GLY 36 Ca 0.19 -0.27 -0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.00 0.78 0.74 1.61 3.32 -1.94 -0.73 116.42 119.21 1j3d h ASP 37 Ca -0.24 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 56.62 1j3d h ASP 37 Cb 1.20 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.54 1j3d h ASP 37 CO -0.14 0.63 -0.54 0.00 -1.72 0.00 0.00 179.24 177.47 1j3d h THR 38 N 0.86 1.23 0.00 0.35 1.03 -1.81 -2.22 112.91 112.35 1j3d h THR 38 Ca 0.22 -1.95 -0.12 0.00 -0.01 0.00 0.00 66.41 64.55 1j3d h THR 38 Cb 0.02 2.10 -0.02 0.00 -1.07 0.00 0.00 68.15 69.18 1j3d h THR 38 CO -0.04 0.53 -0.56 0.00 -0.01 0.00 0.00 175.52 175.45 1j3d h ALA 39 N 1.46 0.99 -0.02 0.00 0.00 -1.47 0.51 119.26 120.73 1j3d h ALA 39 Ca -0.01 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 54.19 1j3d h ALA 39 Cb 1.06 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.77 1j3d h ALA 39 CO 0.07 0.69 -0.82 0.87 0.00 0.00 0.00 179.25 180.07 1j3d h LYS 40 N 0.00 0.59 0.15 0.00 1.57 -0.90 -2.63 116.57 115.35 1j3d h LYS 40 Ca -0.01 -0.61 -0.01 0.00 -1.87 0.00 0.00 60.65 58.16 1j3d h LYS 40 Cb 1.04 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1j3d h LYS 40 CO 0.07 1.22 -0.07 0.87 -0.57 0.00 0.00 179.45 180.97 1j3d h LYS 41 N 0.20 -0.20 -0.52 3.15 1.57 -1.29 -3.09 116.57 116.40 1j3d h LYS 41 Ca -0.10 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1j3d h LYS 41 Cb 1.49 0.04 -0.09 0.00 0.08 0.00 0.00 32.23 33.76 1j3d h LYS 41 CO 0.16 0.16 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.13 1j3d h LEU 42 N -0.59 -0.23 -2.04 2.94 4.07 -0.99 0.22 115.31 118.70 1j3d h LEU 42 Ca -0.02 0.13 0.12 0.00 0.08 0.00 0.00 57.88 58.19 1j3d h LEU 42 Cb 0.45 0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 1j3d h LEU 42 CO 0.03 -0.08 0.36 1.23 -1.08 0.00 0.00 178.44 178.90 1j3d h GLY 43 N 0.11 0.00 1.33 0.83 0.00 -1.48 0.91 103.07 104.78 1j3d h GLY 43 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.38 1j3d h GLY 43 CO -0.44 0.00 -0.76 -2.09 0.00 0.00 0.00 176.54 173.26 1j3d h GLU 44 N 0.00 0.66 0.12 4.80 4.57 -0.48 -2.23 114.58 122.01 1j3d h GLU 44 Ca 0.20 -0.53 -0.28 0.00 -1.18 0.00 0.00 59.36 57.57 1j3d h GLU 44 Cb 0.91 0.11 0.02 0.00 -0.16 0.00 0.00 28.75 29.63 1j3d h GLU 44 CO -0.00 1.15 -1.22 0.52 -1.18 0.00 0.00 179.01 178.28 1j3d h MET 45 N 0.45 0.46 0.19 1.92 2.86 -0.02 -2.98 114.93 117.81 1j3d h MET 45 Ca -0.04 -0.66 0.00 0.00 -2.06 0.00 0.00 59.70 56.94 1j3d h MET 45 Cb 1.36 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 33.24 1j3d h MET 45 CO 0.15 1.29 -0.18 2.35 1.06 0.00 0.00 176.91 181.58 1j3d h TRP 46 N 0.19 -0.46 0.00 -0.22 -0.00 0.65 0.32 115.95 116.42 1j3d h TRP 46 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.73 1j3d h TRP 46 Cb 1.90 0.18 0.00 0.00 -0.00 0.00 0.00 29.16 31.24 1j3d h TRP 46 CO 0.09 -0.27 0.00 0.43 -0.00 0.00 0.00 178.44 178.69 1j3d n SER 47 N -5.30 0.34 -0.00 2.65 7.64 -0.84 -1.41 113.62 116.69 1j3d n SER 47 Ca -0.08 0.62 0.09 0.00 1.01 0.00 0.00 58.87 60.51 1j3d n SER 47 Cb 0.22 -0.68 -0.11 0.00 -1.01 0.00 0.00 64.21 62.62 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 -1.92 0.50 -2.27 1.43 1.02 -0.07 -4.95 120.64 114.39 1j3d n GLU 48 Ca 0.01 -0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1j3d n GLU 48 Cb 0.11 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.08 1j3d n GLU 48 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1j3d s GLN 49 N -2.88 3.91 0.00 3.49 2.00 0.92 -5.03 119.66 122.07 1j3d s GLN 49 Ca 0.07 1.81 0.00 0.00 -2.00 0.00 0.00 55.36 55.24 1j3d s GLN 49 Cb 0.15 -2.55 0.00 0.00 0.80 0.00 0.00 33.01 31.41 1j3d s GLN 49 CO 0.81 -0.44 0.00 -1.13 -0.50 0.00 0.00 175.29 174.03 1j3d n SER 50 N -0.20 0.00 -0.02 6.67 3.41 -1.26 -4.89 113.62 117.32 1j3d n SER 50 Ca 0.06 0.00 0.04 0.00 -0.26 0.00 0.00 58.87 58.71 1j3d n SER 50 Cb 0.47 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 2.33 0.02 7.33 0.00 -1.26 -4.20 120.51 121.73 1j3d n ALA 51 Ca 0.00 -0.53 -0.10 0.00 0.00 0.00 0.00 53.44 52.81 1j3d n ALA 51 Cb 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.12 -2.21 0.00 1.63 -2.01 -3.01 116.57 110.85 1j3d h LYS 52 Ca -0.10 0.01 -0.57 0.00 -0.85 0.00 0.00 60.65 59.13 1j3d h LYS 52 Cb 1.03 0.03 -0.42 0.00 -0.60 0.00 0.00 32.23 32.27 1j3d h LYS 52 CO 0.01 -0.08 -0.74 -0.25 -3.45 0.00 0.00 179.45 174.93 1j3d n ASP 53 N -5.23 3.52 0.00 4.20 9.92 -1.26 -4.71 116.55 123.00 1j3d n ASP 53 Ca -0.04 -3.47 0.00 0.00 -0.53 0.00 0.00 54.79 50.74 1j3d n ASP 53 Cb 0.15 -0.60 0.00 0.00 -0.64 0.00 0.00 41.12 40.03 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 0.16 0.00 -0.03 -1.24 4.81 -1.24 -4.75 118.16 115.88 1j3d n LYS 54 Ca 0.29 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.63 1j3d n LYS 54 Cb 0.44 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 -0.06 0.00 1.64 1.08 -1.69 -2.56 115.11 113.52 1j3d h GLN 55 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1j3d h GLN 55 Cb 0.00 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1j3d h GLN 55 CO 0.00 0.56 0.00 -0.35 -0.95 0.00 0.00 178.83 178.09 1j3d n PRO 56 N -4.75 0.02 -0.05 1.46 -0.04 -1.26 -2.25 135.00 128.13 1j3d n PRO 56 Ca -0.07 0.19 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 1j3d n PRO 56 Cb 0.31 -1.53 -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 -1.57 0.71 0.06 0.54 4.01 -1.24 -3.62 117.16 116.05 1j3d n TYR 57 Ca 0.04 0.22 -0.09 0.00 -0.16 0.00 0.00 57.90 57.92 1j3d n TYR 57 Cb 0.23 -1.12 -0.13 0.00 -0.31 0.00 0.00 39.34 38.01 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 0.01 0.06 0.16 -0.72 4.11 -1.36 -3.19 114.58 113.65 1j3d h GLU 58 Ca -0.40 -0.11 -0.01 0.00 0.07 0.00 0.00 59.36 58.91 1j3d h GLU 58 Cb 2.07 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.36 1j3d h GLU 58 CO 0.05 1.00 -0.08 1.96 0.07 0.00 0.00 179.01 182.02 1j3d h GLN 59 N 0.02 -0.20 -0.20 1.06 4.20 -1.63 0.59 115.11 118.94 1j3d h GLN 59 Ca -0.07 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.71 1j3d h GLN 59 Cb 1.84 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.66 1j3d h GLN 59 CO 0.14 -0.14 0.58 -0.22 -0.67 0.00 0.00 178.83 178.52 1j3d h LYS 60 N -0.39 0.00 0.06 1.46 3.64 -1.73 0.72 116.57 120.33 1j3d h LYS 60 Ca -0.02 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.00 1j3d h LYS 60 Cb 0.16 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1j3d h LYS 60 CO 0.04 0.00 -2.10 0.00 -2.27 0.00 0.00 179.45 175.11 1j3d n ALA 61 N -1.96 1.19 -0.07 5.00 0.00 -1.20 -3.06 120.51 120.40 1j3d n ALA 61 Ca 0.03 -0.82 -0.03 0.00 0.00 0.00 0.00 53.44 52.63 1j3d n ALA 61 Cb 0.68 -0.52 0.21 0.00 0.00 0.00 0.00 19.45 19.81 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 0.31 1.20 0.10 0.00 0.00 0.14 -1.72 119.26 119.29 1j3d h ALA 62 Ca -0.45 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 1j3d h ALA 62 Cb 2.02 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1j3d h ALA 62 CO 0.04 0.53 -0.05 -0.22 0.00 0.00 0.00 179.25 179.55 1j3d h LYS 63 N 0.65 -0.13 -0.62 0.00 3.64 -1.41 -3.15 116.57 115.54 1j3d h LYS 63 Ca 0.13 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.70 1j3d h LYS 63 Cb 0.41 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1j3d h LYS 63 CO 0.02 -0.09 0.62 -0.07 -2.27 0.00 0.00 179.45 177.66 1j3d h LEU 64 N -0.97 0.00 -0.09 5.20 3.38 -1.60 0.16 115.31 121.39 1j3d h LEU 64 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1j3d h LEU 64 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1j3d h LEU 64 CO 0.02 0.00 -0.12 0.50 0.09 0.00 0.00 178.44 178.93 1j3d h LYS 65 N 0.00 0.25 -0.96 1.13 3.64 -1.38 -0.53 116.57 118.71 1j3d h LYS 65 Ca 0.29 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 1j3d h LYS 65 Cb 1.54 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 33.31 1j3d h LYS 65 CO -0.00 0.69 0.62 0.93 -2.27 0.00 0.00 179.45 179.42 1j3d h GLU 66 N -0.18 1.15 0.00 1.90 5.08 -0.65 -1.15 114.58 120.73 1j3d h GLU 66 Ca 0.01 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1j3d h GLU 66 Cb 0.66 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1j3d h GLU 66 CO 0.03 0.76 -0.35 -0.22 -1.00 0.00 0.00 179.01 178.23 1j3d h LYS 67 N 1.19 0.00 -0.01 2.33 3.64 -1.39 -3.26 116.57 119.06 1j3d h LYS 67 Ca 0.39 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1j3d h LYS 67 Cb 0.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1j3d h LYS 67 CO -0.14 0.35 0.00 -0.92 -2.27 0.00 0.00 179.45 176.48 1j3d h TYR 68 N 0.00 0.02 -0.93 1.91 5.03 0.17 0.16 116.97 123.33 1j3d h TYR 68 Ca -0.00 -0.00 0.20 0.00 2.58 0.00 0.00 58.73 61.50 1j3d h TYR 68 Cb 1.06 -0.01 -0.08 0.00 1.55 0.00 0.00 36.73 39.26 1j3d h TYR 68 CO 0.00 0.31 0.60 0.93 -1.32 0.00 0.00 178.16 178.68 1j3d h GLU 69 N -0.27 0.49 0.19 1.82 5.08 -1.49 1.03 114.58 121.43 1j3d h GLU 69 Ca 0.00 -0.03 -0.31 0.00 -1.00 0.00 0.00 59.36 58.02 1j3d h GLU 69 Cb 0.30 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.46 1j3d h GLU 69 CO 0.00 0.32 -1.40 0.87 -1.00 0.00 0.00 179.01 177.80 1j3d h LYS 70 N 0.50 0.41 0.50 2.33 6.56 -1.59 -2.54 116.57 122.75 1j3d h LYS 70 Ca 0.50 -0.70 -0.02 0.00 -1.06 0.00 0.00 60.65 59.37 1j3d h LYS 70 Cb 1.10 0.26 0.00 0.00 -0.57 0.00 0.00 32.23 33.02 1j3d h LYS 70 CO -0.22 1.33 -0.24 -0.44 -2.06 0.00 0.00 179.45 177.81 1j3d h ASP 71 N 0.11 -0.57 -0.58 0.86 3.32 0.20 -1.69 116.42 118.07 1j3d h ASP 71 Ca -0.21 -0.05 0.07 0.00 0.02 0.00 0.00 57.03 56.86 1j3d h ASP 71 Cb 2.08 0.15 -0.06 0.00 0.22 0.00 0.00 39.33 41.72 1j3d h ASP 71 CO 0.24 -0.29 0.25 0.40 -1.72 0.00 0.00 179.24 178.12 1j3d h ILE 72 N -0.83 0.86 0.11 0.35 1.08 0.84 0.59 117.51 120.51 1j3d h ILE 72 Ca -0.07 -0.16 0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1j3d h ILE 72 Cb 0.58 0.34 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1j3d h ILE 72 CO 0.11 0.09 -0.20 0.00 -0.69 0.00 0.00 178.15 177.45 1j3d h ALA 73 N 1.36 -0.34 -0.18 1.87 0.00 -1.34 0.71 119.26 121.33 1j3d h ALA 73 Ca 0.28 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 1j3d h ALA 73 Cb 0.27 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1j3d h ALA 73 CO -0.24 -0.73 -0.45 0.00 0.00 0.00 0.00 179.25 177.83 1j3d h ALA 74 N 0.41 0.89 -0.00 0.00 0.00 -0.92 -2.72 119.26 116.91 1j3d h ALA 74 Ca 0.03 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1j3d h ALA 74 Cb 0.41 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1j3d h ALA 74 CO -0.11 0.65 -0.04 0.98 0.00 0.00 0.00 179.25 180.73 1j3d n TYR 75 N -4.00 0.00 -0.98 0.00 4.19 0.20 -3.49 117.16 113.08 1j3d n TYR 75 Ca -0.02 0.00 -0.31 0.00 3.31 0.00 0.00 57.90 60.88 1j3d n TYR 75 Cb 0.53 -0.29 -0.03 0.00 0.49 0.00 0.00 39.34 40.04 1j3d n TYR 75 CO 0.00 0.00 0.00 -2.13 0.91 0.00 0.00 176.86 175.64 1j3d n ARG 76 N -1.26 2.20 -3.30 2.98 0.63 0.24 -4.38 116.66 113.78 1j3d n ARG 76 Ca 0.13 -1.73 -0.16 0.00 -0.92 0.00 0.00 57.85 55.18 1j3d n ARG 76 Cb 0.27 -2.67 0.05 0.00 0.45 0.00 0.00 32.46 30.56 1j3d n ARG 76 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1j3d n ALA 77 N 5.05 -2.51 0.00 5.13 0.00 -1.26 -5.04 120.51 121.88 1j3d n ALA 77 Ca 0.50 0.05 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1j3d n ALA 77 Cb 0.23 -4.86 0.00 0.00 0.00 0.00 0.00 19.45 14.81 1j3d n ALA 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67