#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 0.62 -4.40 0.03 4.81 -1.26 -5.12 118.16 112.84 1j3d n LYS 2 Ca 0.00 -1.58 -0.21 0.00 -0.87 0.00 0.00 58.31 55.65 1j3d n LYS 2 Cb 0.00 0.11 -0.13 0.00 0.02 0.00 0.00 35.03 35.03 1j3d n LYS 2 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1j3d s LYS 3 N -0.47 1.02 0.81 1.64 2.47 -1.26 -5.15 119.74 118.81 1j3d s LYS 3 Ca 0.12 -0.81 -0.12 0.00 -1.56 0.00 0.00 55.97 53.61 1j3d s LYS 3 Cb 0.24 -1.06 0.08 0.00 -1.46 0.00 0.00 37.83 35.63 1j3d s LYS 3 CO -0.07 0.26 1.15 -0.51 0.16 0.00 0.00 175.35 176.34 1j3d s ASP 4 N -1.17 4.50 0.29 1.43 1.11 -1.26 -4.97 116.67 116.60 1j3d s ASP 4 Ca 0.03 0.91 0.11 0.00 0.18 0.00 0.00 52.55 53.78 1j3d s ASP 4 Cb -0.08 -1.48 0.40 0.00 1.07 0.00 0.00 42.92 42.82 1j3d s ASP 4 CO 0.01 -1.92 1.63 1.55 1.18 0.00 0.00 175.17 177.63 1j3d h PRO 5 N -1.06 0.00 0.03 8.23 0.13 -2.01 -3.09 132.00 134.23 1j3d h PRO 5 Ca -0.47 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.45 1j3d h PRO 5 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 1j3d h PRO 5 CO 0.64 0.59 -1.01 -0.91 -0.23 0.00 0.00 178.00 177.08 1j3d h ASN 6 N 0.00 0.16 -4.24 1.44 2.35 -2.05 -3.46 115.58 109.78 1j3d h ASN 6 Ca -0.01 -0.15 -0.52 0.00 -0.55 0.00 0.00 56.30 55.08 1j3d h ASN 6 Cb 1.06 -0.05 0.19 0.00 0.05 0.00 0.00 38.32 39.57 1j3d h ASN 6 CO 0.08 1.07 0.23 0.00 -1.65 0.00 0.00 177.43 177.15 1j3d s ALA 7 N -2.85 1.53 0.89 -0.83 0.00 -1.17 -5.01 121.76 114.31 1j3d s ALA 7 Ca -0.01 0.51 -0.14 0.00 0.00 0.00 0.00 51.96 52.32 1j3d s ALA 7 Cb 0.09 -3.41 0.14 0.00 0.00 0.00 0.00 23.12 19.94 1j3d s ALA 7 CO 0.83 -2.64 1.24 -1.25 0.00 0.00 0.00 175.76 173.94 1j3d s PRO 8 N -4.69 1.29 0.88 0.00 0.04 -1.26 -4.87 135.00 126.40 1j3d s PRO 8 Ca 0.66 -0.12 -0.15 0.00 0.04 0.00 0.00 61.00 61.43 1j3d s PRO 8 Cb -0.22 -1.89 0.22 0.00 0.04 0.00 0.00 34.50 32.65 1j3d s PRO 8 CO 0.58 -2.02 0.67 1.63 0.04 0.00 0.00 177.00 177.90 1j3d n LYS 9 N -3.56 -3.01 -3.56 4.56 4.76 -1.26 -4.97 118.16 111.13 1j3d n LYS 9 Ca 0.11 -1.09 -0.36 0.00 -2.87 0.00 0.00 58.31 54.10 1j3d n LYS 9 Cb 0.60 -1.16 -0.06 0.00 -1.84 0.00 0.00 35.03 32.58 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 -4.56 3.81 0.32 1.97 0.52 -1.26 -5.07 118.95 114.69 1j3d s ARG 10 Ca 0.46 0.26 -0.27 0.00 -0.52 0.00 0.00 55.73 55.67 1j3d s ARG 10 Cb -0.06 -3.10 -0.09 0.00 0.52 0.00 0.00 34.95 32.22 1j3d s ARG 10 CO 0.37 0.63 1.01 -1.25 0.02 0.00 0.00 175.30 176.08 1j3d s PRO 11 N -1.52 4.54 0.72 3.54 0.04 -1.26 -5.05 135.00 136.01 1j3d s PRO 11 Ca 0.28 1.53 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 1j3d s PRO 11 Cb -0.15 -2.93 0.18 0.00 0.04 0.00 0.00 34.50 31.64 1j3d s PRO 11 CO 0.15 0.20 0.70 -0.35 0.04 0.00 0.00 177.00 177.74 1j3d n PRO 12 N 0.74 -2.00 -2.40 0.56 -0.04 -1.26 -4.98 135.00 125.62 1j3d n PRO 12 Ca 0.01 -1.10 -0.03 0.00 -0.04 0.00 0.00 63.50 62.34 1j3d n PRO 12 Cb 0.48 -0.96 0.08 0.00 -0.04 0.00 0.00 33.50 33.06 1j3d n PRO 12 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j3d n SER 13 N -4.01 -1.16 0.00 3.54 3.41 -1.26 -4.71 113.62 109.42 1j3d n SER 13 Ca 0.09 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 1j3d n SER 13 Cb 0.36 0.62 0.00 0.00 -0.26 0.00 0.00 64.21 64.92 1j3d n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3d n ALA 14 N -0.92 0.00 0.28 7.33 0.00 -1.26 -4.13 120.51 121.82 1j3d n ALA 14 Ca -0.12 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.47 1j3d n ALA 14 Cb 0.76 0.00 0.89 0.00 0.00 0.00 0.00 19.45 21.10 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 -0.04 0.00 3.57 -1.96 -1.35 116.94 117.16 1j3d h PHE 15 Ca 0.00 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.34 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 0.00 -0.68 0.35 -2.23 0.00 0.00 178.31 175.75 1j3d h PHE 16 N 0.00 0.24 0.00 0.41 3.57 -1.94 -2.48 116.94 116.74 1j3d h PHE 16 Ca 0.01 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1j3d h PHE 16 Cb 0.06 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1j3d h PHE 16 CO 0.00 0.80 0.00 1.28 -2.23 0.00 0.00 178.31 178.16 1j3d n LEU 17 N -3.79 0.07 -0.33 0.59 4.32 -0.52 -0.73 117.00 116.60 1j3d n LEU 17 Ca -0.02 0.77 -0.05 0.00 -0.02 0.00 0.00 56.01 56.69 1j3d n LEU 17 Cb 0.67 -0.47 -0.02 0.00 -1.62 0.00 0.00 43.42 41.98 1j3d n LEU 17 CO 0.45 -0.47 0.44 0.33 -1.22 0.00 0.00 177.39 176.91 1j3d n PHE 18 N -1.91 -0.16 -0.16 -1.77 7.35 -1.12 0.33 117.46 120.01 1j3d n PHE 18 Ca 0.00 1.01 -0.08 0.00 -0.76 0.00 0.00 57.45 57.62 1j3d n PHE 18 Cb 0.00 -0.69 0.01 0.00 0.35 0.00 0.00 39.48 39.15 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 0.61 0.10 0.52 0.00 0.87 0.21 -0.73 113.55 115.13 1j3d h SER 20 Ca 0.16 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.54 1j3d h SER 20 Cb 0.14 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1j3d h SER 20 CO -0.02 0.06 -1.62 -1.84 -0.53 0.00 0.00 176.83 172.88 1j3d n GLU 21 N -4.44 0.63 -0.75 2.24 0.28 -0.16 -4.14 120.64 114.30 1j3d n GLU 21 Ca 0.07 0.15 0.08 0.00 -0.16 0.00 0.00 57.16 57.30 1j3d n GLU 21 Cb 0.44 -1.74 0.37 0.00 1.43 0.00 0.00 31.44 31.94 1j3d n GLU 21 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1j3d n HIS 22 N -2.81 1.75 0.02 -1.84 8.25 -0.33 -4.48 115.22 115.79 1j3d n HIS 22 Ca -0.13 -0.70 -0.21 0.00 -0.26 0.00 0.00 57.72 56.43 1j3d n HIS 22 Cb 0.86 -0.39 -0.14 0.00 1.12 0.00 0.00 29.99 31.44 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 3.81 0.26 0.00 -0.41 2.43 -1.31 -3.30 114.38 115.85 1j3d h ARG 23 Ca 0.00 -0.45 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1j3d h ARG 23 Cb 1.73 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.45 1j3d h ARG 23 CO 0.37 1.21 0.00 -0.35 -1.51 0.00 0.00 179.97 179.69 1j3d n PRO 24 N -4.01 0.20 0.08 0.20 -0.04 -1.26 -3.08 135.00 127.09 1j3d n PRO 24 Ca -0.21 0.08 -0.18 0.00 -0.04 0.00 0.00 63.50 63.15 1j3d n PRO 24 Cb 0.87 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.30 0.00 0.54 1.63 -1.82 -3.27 116.57 113.95 1j3d h LYS 25 Ca 0.00 -0.51 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1j3d h LYS 25 Cb 0.29 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1j3d h LYS 25 CO 0.00 1.19 0.00 0.82 -3.45 0.00 0.00 179.45 178.01 1j3d h ILE 26 N 0.08 0.00 0.00 2.00 1.08 -1.62 -2.88 117.51 116.17 1j3d h ILE 26 Ca -0.24 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 63.79 1j3d h ILE 26 Cb 2.03 1.32 -0.00 0.00 -3.07 0.00 0.00 36.82 37.10 1j3d h ILE 26 CO 0.18 0.00 -0.04 0.11 -0.69 0.00 0.00 178.15 177.71 1j3d h LYS 27 N 0.00 0.00 0.31 2.37 1.57 -1.61 0.19 116.57 119.40 1j3d h LYS 27 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1j3d h LYS 27 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1j3d h LYS 27 CO 0.00 0.04 -0.15 1.03 -0.57 0.00 0.00 179.45 179.80 1j3d h SER 28 N 0.00 -0.36 0.54 0.86 0.87 -1.64 -2.73 113.55 111.09 1j3d h SER 28 Ca -0.00 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1j3d h SER 28 Cb 0.79 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 1j3d h SER 28 CO 0.01 0.10 -0.18 -0.62 -0.53 0.00 0.00 176.83 175.60 1j3d n GLU 29 N -5.06 0.37 -3.08 2.24 1.02 -1.25 -4.41 120.64 110.48 1j3d n GLU 29 Ca -0.05 -0.13 -0.17 0.00 -0.02 0.00 0.00 57.16 56.78 1j3d n GLU 29 Cb 0.17 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.05 1j3d n GLU 29 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1j3d n HIS 30 N -1.20 -1.96 0.13 -0.32 8.25 0.67 -5.01 115.22 115.77 1j3d n HIS 30 Ca 0.10 -2.60 -0.13 0.00 -0.26 0.00 0.00 57.72 54.83 1j3d n HIS 30 Cb 0.31 0.66 -0.08 0.00 1.12 0.00 0.00 29.99 32.00 1j3d n HIS 30 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1j3d h PRO 31 N 4.84 -0.33 0.00 -0.41 0.13 -1.60 -2.96 132.00 131.67 1j3d h PRO 31 Ca 0.10 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1j3d h PRO 31 Cb 0.97 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1j3d h PRO 31 CO 0.29 0.01 0.00 0.78 -0.23 0.00 0.00 178.00 178.85 1j3d h GLY 32 N -0.75 0.00 -7.21 1.56 0.00 -1.92 -3.43 103.07 91.32 1j3d h GLY 32 Ca -0.04 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.76 1j3d h GLY 32 CO 0.06 0.00 1.62 -0.10 0.00 0.00 0.00 176.54 178.12 1j3d n LEU 33 N -2.61 1.49 0.00 3.11 -0.00 -1.12 -4.92 117.00 112.96 1j3d n LEU 33 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1j3d n LEU 33 Cb 0.12 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.30 1j3d n LEU 33 CO 0.17 -1.03 0.00 -1.54 -0.00 0.00 0.00 177.39 174.99 1j3d n SER 34 N 12.20 -1.49 -1.16 1.96 3.41 -1.26 -4.86 113.62 122.42 1j3d n SER 34 Ca 0.49 -0.08 0.05 0.00 -0.26 0.00 0.00 58.87 59.08 1j3d n SER 34 Cb 0.26 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.44 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 -2.55 1.29 -0.10 -1.33 2.08 -1.26 -3.96 119.36 113.52 1j3d n ILE 35 Ca 0.00 -0.75 -0.17 0.00 0.56 0.00 0.00 62.75 62.39 1j3d n ILE 35 Cb 0.00 -0.14 -0.06 0.00 -0.75 0.00 0.00 39.64 38.68 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 0.66 -0.65 0.13 7.39 0.00 -1.26 -3.63 105.19 107.82 1j3d n GLY 36 Ca 0.16 -0.16 -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 -1.00 0.34 -0.92 1.61 5.19 -1.94 -1.29 116.42 118.41 1j3d h ASP 37 Ca -0.28 -0.41 0.02 0.00 -0.62 0.00 0.00 57.03 55.73 1j3d h ASP 37 Cb 1.15 -0.09 -0.05 0.00 0.18 0.00 0.00 39.33 40.52 1j3d h ASP 37 CO -0.17 0.67 0.61 0.74 -3.12 0.00 0.00 179.24 177.97 1j3d h THR 38 N -0.00 1.21 0.00 0.35 2.02 -1.81 0.38 112.91 115.06 1j3d h THR 38 Ca 0.04 -0.42 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 1j3d h THR 38 Cb 0.55 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1j3d h THR 38 CO 0.02 0.22 -0.31 0.00 0.37 0.00 0.00 175.52 175.82 1j3d h ALA 39 N 1.35 1.12 0.18 6.16 0.00 -1.60 0.18 119.26 126.64 1j3d h ALA 39 Ca 0.35 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.67 1j3d h ALA 39 Cb -0.10 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.66 1j3d h ALA 39 CO -0.09 0.39 -1.34 0.87 0.00 0.00 0.00 179.25 179.08 1j3d h LYS 40 N 0.00 0.43 0.19 0.00 1.57 0.09 -2.94 116.57 115.90 1j3d h LYS 40 Ca -0.00 -0.70 -0.01 0.00 -1.87 0.00 0.00 60.65 58.06 1j3d h LYS 40 Cb 0.73 0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1j3d h LYS 40 CO 0.04 1.33 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.94 1j3d h LYS 41 N 0.13 -0.24 -0.15 3.15 3.64 -0.05 -3.05 116.57 120.01 1j3d h LYS 41 Ca -0.19 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.24 1j3d h LYS 41 Cb 2.05 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.86 1j3d h LYS 41 CO 0.24 0.16 -0.48 -0.07 -2.27 0.00 0.00 179.45 177.03 1j3d h LEU 42 N -0.86 -1.52 -1.97 5.20 4.07 -0.79 0.20 115.31 119.64 1j3d h LEU 42 Ca -0.03 0.19 0.20 0.00 0.08 0.00 0.00 57.88 58.33 1j3d h LEU 42 Cb 0.52 0.61 -0.03 0.00 1.08 0.00 0.00 40.66 42.83 1j3d h LEU 42 CO 0.04 -0.45 0.56 1.23 -1.08 0.00 0.00 178.44 178.74 1j3d h GLY 43 N -0.53 0.00 1.28 0.83 0.00 -1.64 1.05 103.07 104.06 1j3d h GLY 43 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.19 1j3d h GLY 43 CO -0.43 0.00 -0.66 -2.09 0.00 0.00 0.00 176.54 173.36 1j3d h GLU 44 N 0.00 0.73 0.13 4.80 4.22 -0.54 -2.78 114.58 121.14 1j3d h GLU 44 Ca 0.33 -0.53 -0.24 0.00 0.08 0.00 0.00 59.36 59.00 1j3d h GLU 44 Cb 1.45 0.09 0.03 0.00 0.50 0.00 0.00 28.75 30.82 1j3d h GLU 44 CO -0.00 1.15 -1.02 0.52 -2.18 0.00 0.00 179.01 177.47 1j3d h MET 45 N 0.53 0.46 -0.72 1.92 2.86 0.16 -3.28 114.93 116.85 1j3d h MET 45 Ca -0.02 -0.67 0.14 0.00 -2.06 0.00 0.00 59.70 57.09 1j3d h MET 45 Cb 1.26 0.23 -0.10 0.00 0.06 0.00 0.00 31.60 33.06 1j3d h MET 45 CO 0.13 1.30 0.24 2.35 1.06 0.00 0.00 176.91 181.99 1j3d h TRP 46 N -0.05 0.39 0.00 -0.22 -0.00 0.75 0.93 115.95 117.75 1j3d h TRP 46 Ca -0.17 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.76 1j3d h TRP 46 Cb 1.76 -0.06 0.00 0.00 -0.00 0.00 0.00 29.16 30.86 1j3d h TRP 46 CO 0.15 0.00 0.00 0.45 -0.00 0.00 0.00 178.44 179.05 1j3d n SER 47 N -5.07 0.00 -0.00 2.65 2.88 -1.05 -2.12 113.62 110.91 1j3d n SER 47 Ca 0.13 0.25 0.05 0.00 -1.33 0.00 0.00 58.87 57.98 1j3d n SER 47 Cb 0.41 -0.37 -0.07 0.00 -0.75 0.00 0.00 64.21 63.44 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 -1.37 2.70 -1.75 -1.46 -0.58 0.30 -5.00 120.64 113.47 1j3d n GLU 48 Ca 0.05 -0.02 -0.39 0.00 -0.42 0.00 0.00 57.16 56.38 1j3d n GLU 48 Cb 0.12 -1.07 0.04 0.00 -0.57 0.00 0.00 31.44 29.96 1j3d n GLU 48 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1j3d n GLN 49 N -1.40 1.76 0.00 3.49 1.13 0.35 -5.02 117.38 117.69 1j3d n GLN 49 Ca 0.01 0.64 0.00 0.00 -1.94 0.00 0.00 57.00 55.71 1j3d n GLN 49 Cb 0.20 -2.59 0.00 0.00 0.11 0.00 0.00 30.24 27.95 1j3d n GLN 49 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1j3d n SER 50 N -0.96 0.00 0.00 1.08 3.41 -1.26 -4.86 113.62 111.03 1j3d n SER 50 Ca 0.10 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.84 1j3d n SER 50 Cb 0.44 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.09 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 2.38 0.06 7.33 0.00 -1.26 -3.27 120.51 122.75 1j3d n ALA 51 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 1j3d n ALA 51 Cb 0.00 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 17.87 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 0.45 -2.00 0.00 3.64 -2.01 -3.27 116.57 113.38 1j3d h LYS 52 Ca 0.00 -0.64 -0.57 0.00 -1.27 0.00 0.00 60.65 58.18 1j3d h LYS 52 Cb 0.23 0.22 -0.42 0.00 -0.41 0.00 0.00 32.23 31.85 1j3d h LYS 52 CO 0.00 1.27 -0.75 -0.25 -2.27 0.00 0.00 179.45 177.45 1j3d n ASP 53 N -4.01 4.01 0.00 4.20 8.00 -1.23 -4.71 116.55 122.81 1j3d n ASP 53 Ca -0.13 -3.58 0.00 0.00 0.71 0.00 0.00 54.79 51.79 1j3d n ASP 53 Cb 0.86 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1j3d n ASP 53 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1j3d n LYS 54 N -0.24 0.00 0.06 -1.24 4.81 -1.20 -4.67 118.16 115.68 1j3d n LYS 54 Ca 0.31 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.64 1j3d n LYS 54 Cb 0.51 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.48 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 -0.21 0.00 1.64 1.08 -1.73 -2.88 115.11 113.01 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 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1j3d h GLN 55 CO 0.00 0.21 0.00 -0.35 -0.95 0.00 0.00 178.83 177.74 1j3d n PRO 56 N -4.94 0.22 0.02 1.46 -0.04 -1.26 -2.88 135.00 127.58 1j3d n PRO 56 Ca -0.08 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.35 1j3d n PRO 56 Cb 0.27 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.09 1j3d n PRO 56 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1j3d h TYR 57 N 0.00 0.31 0.00 0.54 -1.99 -1.90 -3.23 116.97 110.70 1j3d h TYR 57 Ca 0.00 -0.22 -0.03 0.00 2.00 0.00 0.00 58.73 60.48 1j3d h TYR 57 Cb 0.21 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 38.92 1j3d h TYR 57 CO 0.00 1.37 -0.35 1.05 -0.00 0.00 0.00 178.16 180.23 1j3d h GLU 58 N 0.05 0.00 0.00 4.88 4.11 -1.38 -3.21 114.58 119.03 1j3d h GLU 58 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.13 1j3d h GLU 58 Cb 2.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.26 1j3d h GLU 58 CO 0.11 0.10 0.00 1.04 0.07 0.00 0.00 179.01 180.34 1j3d n GLN 59 N -3.03 0.00 0.01 1.06 6.02 -1.14 -1.53 117.38 118.78 1j3d n GLN 59 Ca 0.02 0.48 0.22 0.00 -0.01 0.00 0.00 57.00 57.71 1j3d n GLN 59 Cb 0.59 -1.02 0.58 0.00 1.02 0.00 0.00 30.24 31.41 1j3d n GLN 59 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1j3d h LYS 60 N 0.00 0.00 0.09 -1.09 3.64 -1.74 0.53 116.57 118.00 1j3d h LYS 60 Ca 0.00 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.05 1j3d h LYS 60 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1j3d h LYS 60 CO 0.00 0.00 -1.78 0.00 -2.27 0.00 0.00 179.45 175.40 1j3d h ALA 61 N 1.00 0.49 -0.59 5.00 0.00 -1.66 -3.05 119.26 120.44 1j3d h ALA 61 Ca 0.28 -1.34 0.01 0.00 0.00 0.00 0.00 54.91 53.87 1j3d h ALA 61 Cb 1.83 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 20.11 1j3d h ALA 61 CO -0.00 1.34 0.38 0.00 0.00 0.00 0.00 179.25 180.97 1j3d h ALA 62 N 0.46 0.76 0.00 0.00 0.00 0.11 0.22 119.26 120.81 1j3d h ALA 62 Ca -0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1j3d h ALA 62 Cb 2.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1j3d h ALA 62 CO 0.11 0.16 0.00 1.17 0.00 0.00 0.00 179.25 180.69 1j3d n LYS 63 N -4.69 0.12 0.02 0.00 4.81 -0.74 -2.59 118.16 115.08 1j3d n LYS 63 Ca 0.05 0.14 -0.13 0.00 -0.87 0.00 0.00 58.31 57.49 1j3d n LYS 63 Cb 0.04 -1.65 -0.14 0.00 0.02 0.00 0.00 35.03 33.30 1j3d n LYS 63 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1j3d h LEU 64 N 0.00 0.19 -0.09 3.14 3.38 -1.03 -3.21 115.31 117.68 1j3d h LEU 64 Ca 0.00 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.57 1j3d h LEU 64 Cb 0.57 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1j3d h LEU 64 CO 0.00 1.29 -0.20 0.50 0.09 0.00 0.00 178.44 180.12 1j3d h LYS 65 N 0.03 0.29 -0.24 1.13 3.64 -0.58 -3.07 116.57 117.78 1j3d h LYS 65 Ca -0.27 -0.19 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1j3d h LYS 65 Cb 1.99 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 33.80 1j3d h LYS 65 CO 0.11 0.79 -0.04 0.93 -2.27 0.00 0.00 179.45 178.97 1j3d h GLU 66 N -0.16 0.02 0.00 1.90 4.39 -1.64 -0.61 114.58 118.48 1j3d h GLU 66 Ca 0.00 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 1j3d h GLU 66 Cb 0.79 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1j3d h GLU 66 CO 0.04 0.02 -0.01 1.57 -1.16 0.00 0.00 179.01 179.47 1j3d h LYS 67 N 0.02 0.00 -0.42 2.33 2.10 -1.61 -1.07 116.57 117.93 1j3d h LYS 67 Ca 0.11 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.68 1j3d h LYS 67 Cb 0.16 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.48 1j3d h LYS 67 CO -0.22 0.01 -0.09 -0.92 -2.00 0.00 0.00 179.45 176.22 1j3d h TYR 68 N 0.00 0.79 -0.86 0.07 3.20 -1.00 -1.00 116.97 118.17 1j3d h TYR 68 Ca -0.00 -0.13 0.07 0.00 3.14 0.00 0.00 58.73 61.81 1j3d h TYR 68 Cb 0.04 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.05 1j3d h TYR 68 CO 0.00 0.79 0.56 0.93 -1.64 0.00 0.00 178.16 178.80 1j3d h GLU 69 N 0.67 0.92 0.09 1.82 5.08 -1.14 1.03 114.58 123.05 1j3d h GLU 69 Ca 0.12 -0.06 -0.26 0.00 -1.00 0.00 0.00 59.36 58.16 1j3d h GLU 69 Cb 0.54 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.59 1j3d h GLU 69 CO 0.03 0.61 -1.14 0.87 -1.00 0.00 0.00 179.01 178.38 1j3d h LYS 70 N 0.95 0.34 0.17 2.33 6.56 -1.53 0.13 116.57 125.52 1j3d h LYS 70 Ca 0.38 -0.48 -0.01 0.00 -1.06 0.00 0.00 60.65 59.47 1j3d h LYS 70 Cb 0.24 0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 1j3d h LYS 70 CO -0.14 1.19 -0.08 -0.44 -2.06 0.00 0.00 179.45 177.92 1j3d h ASP 71 N 0.14 -0.19 -0.11 0.86 5.19 0.06 -2.93 116.42 119.44 1j3d h ASP 71 Ca -0.12 -0.22 -0.09 0.00 -0.62 0.00 0.00 57.03 55.98 1j3d h ASP 71 Cb 1.83 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.37 1j3d h ASP 71 CO 0.19 0.13 -0.20 0.40 -3.12 0.00 0.00 179.24 176.64 1j3d h ILE 72 N -0.52 1.26 -1.02 0.35 1.08 0.98 -2.80 117.51 116.83 1j3d h ILE 72 Ca -0.02 -1.19 0.29 0.00 -0.39 0.00 0.00 64.86 63.54 1j3d h ILE 72 Cb 0.40 1.27 -0.05 0.00 -3.07 0.00 0.00 36.82 35.36 1j3d h ILE 72 CO 0.04 0.38 0.72 0.00 -0.69 0.00 0.00 178.15 178.60 1j3d h ALA 73 N 1.32 2.80 0.00 1.87 0.00 -0.55 1.10 119.26 125.80 1j3d h ALA 73 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1j3d h ALA 73 Cb 0.62 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1j3d h ALA 73 CO 0.04 -1.11 -0.21 0.00 0.00 0.00 0.00 179.25 177.97 1j3d h ALA 74 N 1.52 0.02 0.00 0.00 0.00 -1.43 -3.26 119.26 116.11 1j3d h ALA 74 Ca 0.50 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1j3d h ALA 74 Cb 1.83 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1j3d h ALA 74 CO -0.07 0.17 0.02 -0.92 0.00 0.00 0.00 179.25 178.45 1j3d h TYR 75 N -1.00 0.00 0.40 0.00 3.20 -1.33 -2.89 116.97 115.36 1j3d h TYR 75 Ca -0.03 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.82 1j3d h TYR 75 Cb 0.42 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1j3d h TYR 75 CO 0.02 0.00 -0.19 -0.09 -1.64 0.00 0.00 178.16 176.26 1j3d h ARG 76 N 0.00 -0.52 -3.68 1.82 2.43 0.11 -3.40 114.38 111.15 1j3d h ARG 76 Ca 0.00 0.04 -0.70 0.00 -0.81 0.00 0.00 59.98 58.51 1j3d h ARG 76 Cb 0.03 0.12 -0.35 0.00 -0.42 0.00 0.00 29.97 29.35 1j3d h ARG 76 CO 0.00 -0.28 -0.39 0.00 -1.51 0.00 0.00 179.97 177.79 1j3d s ALA 77 N -4.07 3.54 0.00 2.80 0.00 -1.09 -5.09 121.76 117.84 1j3d s ALA 77 Ca -0.10 -3.19 0.00 0.00 0.00 0.00 0.00 51.96 48.67 1j3d s ALA 77 Cb 0.01 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1j3d s ALA 77 CO 0.31 -2.07 0.32 1.17 0.00 0.00 0.00 175.76 175.49