#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 0.93 -2.79 2.12 5.02 -1.26 -5.05 118.16 117.13 1j3d n LYS 2 Ca 0.00 -2.90 -0.03 0.00 -2.02 0.00 0.00 58.31 53.36 1j3d n LYS 2 Cb 0.00 -1.46 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 1j3d n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1j3d n LYS 3 N 0.54 -3.25 -1.85 1.97 4.01 -1.26 -4.97 118.16 113.36 1j3d n LYS 3 Ca 0.19 2.58 -0.29 0.00 -0.51 0.00 0.00 58.31 60.28 1j3d n LYS 3 Cb 0.65 -3.77 0.08 0.00 -0.51 0.00 0.00 35.03 31.48 1j3d n LYS 3 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1j3d s ASP 4 N -0.73 4.66 0.22 4.39 1.01 -1.26 -4.98 116.67 119.98 1j3d s ASP 4 Ca -0.14 0.91 0.03 0.00 0.71 0.00 0.00 52.55 54.05 1j3d s ASP 4 Cb 0.01 -1.49 0.18 0.00 1.01 0.00 0.00 42.92 42.62 1j3d s ASP 4 CO 0.54 -1.82 1.51 1.55 0.21 0.00 0.00 175.17 177.16 1j3d h PRO 5 N -0.99 0.27 -0.18 8.23 0.13 -1.97 -3.18 132.00 134.31 1j3d h PRO 5 Ca -0.46 -0.20 -0.18 0.00 -0.87 0.00 0.00 66.00 64.29 1j3d h PRO 5 Cb 1.31 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1j3d h PRO 5 CO 0.65 0.83 -0.62 -0.91 -0.23 0.00 0.00 178.00 177.72 1j3d h ASN 6 N 0.19 0.70 -3.82 1.44 2.35 -2.04 -3.44 115.58 110.96 1j3d h ASN 6 Ca -0.01 -0.40 -0.49 0.00 -0.55 0.00 0.00 56.30 54.84 1j3d h ASN 6 Cb 1.19 -0.20 0.05 0.00 0.05 0.00 0.00 38.32 39.40 1j3d h ASN 6 CO 0.10 1.15 0.21 0.00 -1.65 0.00 0.00 177.43 177.24 1j3d s ALA 7 N -3.90 3.29 0.85 -0.83 0.00 -1.20 -5.08 121.76 114.89 1j3d s ALA 7 Ca -0.08 -0.42 -0.13 0.00 0.00 0.00 0.00 51.96 51.33 1j3d s ALA 7 Cb 0.11 -2.73 0.12 0.00 0.00 0.00 0.00 23.12 20.61 1j3d s ALA 7 CO 0.86 -0.53 1.21 -1.25 0.00 0.00 0.00 175.76 176.05 1j3d s PRO 8 N -4.91 1.53 0.52 0.00 0.04 -1.26 -4.61 135.00 126.31 1j3d s PRO 8 Ca 0.51 -0.11 0.03 0.00 0.04 0.00 0.00 61.00 61.47 1j3d s PRO 8 Cb -0.11 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1j3d s PRO 8 CO 0.48 -1.85 0.15 0.15 0.04 0.00 0.00 177.00 175.97 1j3d s LYS 9 N -5.66 2.22 0.28 4.56 1.02 -1.26 -4.79 119.74 116.12 1j3d s LYS 9 Ca 0.66 -2.27 -0.30 0.00 0.02 0.00 0.00 55.97 54.09 1j3d s LYS 9 Cb -0.08 -1.74 -0.13 0.00 -0.52 0.00 0.00 37.83 35.36 1j3d s LYS 9 CO 0.50 -0.45 1.40 2.89 -0.92 0.00 0.00 175.35 178.77 1j3d n ARG 10 N -1.45 2.18 -1.56 1.68 1.85 -1.26 -4.97 116.66 113.14 1j3d n ARG 10 Ca -0.13 0.77 -0.29 0.00 -1.00 0.00 0.00 57.85 57.20 1j3d n ARG 10 Cb 0.66 -2.43 0.16 0.00 -1.05 0.00 0.00 32.46 29.80 1j3d n ARG 10 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1j3d s PRO 11 N -0.93 0.69 0.00 2.89 0.04 -1.26 -5.06 135.00 131.36 1j3d s PRO 11 Ca 0.63 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1j3d s PRO 11 Cb -0.60 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1j3d s PRO 11 CO 0.54 -2.47 0.00 -0.35 0.04 0.00 0.00 177.00 174.76 1j3d n PRO 12 N -3.91 0.40 -2.66 0.56 -0.04 -1.26 -5.01 135.00 123.07 1j3d n PRO 12 Ca 0.09 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.52 1j3d n PRO 12 Cb 0.59 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.08 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 -0.87 -1.22 0.00 3.54 3.41 -1.26 -4.85 113.62 112.37 1j3d n SER 13 Ca 0.00 -1.78 0.00 0.00 -0.26 0.00 0.00 58.87 56.83 1j3d n SER 13 Cb 0.00 1.06 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 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 -0.25 0.00 0.29 7.33 0.00 -1.26 -4.03 120.51 122.59 1j3d n ALA 14 Ca -0.20 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.38 1j3d n ALA 14 Cb 0.69 0.00 0.86 0.00 0.00 0.00 0.00 19.45 21.00 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 -1.95 -1.69 116.94 116.82 1j3d h PHE 15 Ca 0.00 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.35 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 0.04 -0.65 0.35 -2.23 0.00 0.00 178.31 175.82 1j3d h PHE 16 N 0.00 0.22 0.00 0.41 3.04 -1.92 -2.62 116.94 116.06 1j3d h PHE 16 Ca -0.00 -0.09 0.00 0.00 3.98 0.00 0.00 57.97 61.86 1j3d h PHE 16 Cb 0.11 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 38.58 1j3d h PHE 16 CO 0.00 0.76 0.00 1.28 -2.02 0.00 0.00 178.31 178.33 1j3d n LEU 17 N -3.82 0.38 -0.30 0.59 7.99 -0.64 -0.28 117.00 120.92 1j3d n LEU 17 Ca -0.02 0.64 -0.01 0.00 -0.01 0.00 0.00 56.01 56.61 1j3d n LEU 17 Cb 0.64 -0.28 0.03 0.00 -0.11 0.00 0.00 43.42 43.70 1j3d n LEU 17 CO 0.44 -0.28 0.44 0.33 -1.51 0.00 0.00 177.39 176.82 1j3d n PHE 18 N -1.34 0.01 -0.19 -1.77 7.35 -1.19 0.92 117.46 121.25 1j3d n PHE 18 Ca 0.00 0.94 -0.08 0.00 -0.76 0.00 0.00 57.45 57.55 1j3d n PHE 18 Cb 0.00 -0.78 0.01 0.00 0.35 0.00 0.00 39.48 39.07 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 0.73 0.03 0.58 0.00 0.02 0.37 0.16 113.55 115.44 1j3d h SER 20 Ca 0.17 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.94 1j3d h SER 20 Cb 0.30 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 1j3d h SER 20 CO -0.00 0.02 -1.56 -1.84 -1.14 0.00 0.00 176.83 172.31 1j3d n GLU 21 N -4.49 0.63 -0.75 3.45 0.28 -0.22 -4.05 120.64 115.49 1j3d n GLU 21 Ca 0.01 0.17 0.08 0.00 -0.16 0.00 0.00 57.16 57.27 1j3d n GLU 21 Cb 0.25 -1.76 0.38 0.00 1.43 0.00 0.00 31.44 31.74 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 -2.83 1.75 0.02 -1.84 8.25 -0.25 -4.48 115.22 115.84 1j3d n HIS 22 Ca -0.12 -0.68 -0.20 0.00 -0.26 0.00 0.00 57.72 56.46 1j3d n HIS 22 Cb 0.86 -0.38 -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 3.90 0.24 0.00 -0.41 2.43 -1.13 -3.25 114.38 116.17 1j3d h ARG 23 Ca 0.00 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1j3d h ARG 23 Cb 1.71 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 31.42 1j3d h ARG 23 CO 0.36 1.20 0.00 -0.35 -1.51 0.00 0.00 179.97 179.67 1j3d n PRO 24 N -4.13 0.26 0.02 0.20 -0.04 -1.26 -3.25 135.00 126.80 1j3d n PRO 24 Ca -0.17 0.08 -0.19 0.00 -0.04 0.00 0.00 63.50 63.18 1j3d n PRO 24 Cb 0.81 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.24 0.00 0.54 3.64 -1.82 -3.32 116.57 115.84 1j3d h LYS 25 Ca 0.00 -0.40 -0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1j3d h LYS 25 Cb 0.25 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1j3d h LYS 25 CO 0.00 1.09 -0.14 0.82 -2.27 0.00 0.00 179.45 178.95 1j3d h ILE 26 N 0.06 0.29 0.00 2.00 1.08 -1.58 -2.98 117.51 116.38 1j3d h ILE 26 Ca -0.36 -1.08 0.00 0.00 -0.39 0.00 0.00 64.86 63.03 1j3d h ILE 26 Cb 2.04 1.86 0.00 0.00 -3.07 0.00 0.00 36.82 37.65 1j3d h ILE 26 CO 0.11 0.14 0.00 0.11 -0.69 0.00 0.00 178.15 177.82 1j3d h LYS 27 N 0.00 0.00 -0.01 2.37 1.57 -1.68 -2.76 116.57 116.06 1j3d h LYS 27 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1j3d h LYS 27 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1j3d h LYS 27 CO 0.02 0.00 -0.19 0.77 -0.57 0.00 0.00 179.45 179.47 1j3d h SER 28 N 0.00 0.18 -0.15 0.86 0.02 -1.62 -3.21 113.55 109.64 1j3d h SER 28 Ca 0.00 -0.76 0.00 0.00 -0.84 0.00 0.00 61.79 60.19 1j3d h SER 28 Cb 0.92 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1j3d h SER 28 CO 0.00 0.92 0.00 -0.62 -1.14 0.00 0.00 176.83 175.99 1j3d n GLU 29 N -4.55 1.43 -3.10 3.45 -0.58 -1.24 -4.44 120.64 111.62 1j3d n GLU 29 Ca -0.10 -0.66 -0.09 0.00 -0.42 0.00 0.00 57.16 55.89 1j3d n GLU 29 Cb 0.47 -1.25 -0.03 0.00 -0.57 0.00 0.00 31.44 30.06 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 -1.81 -0.96 0.06 -0.32 3.76 -1.04 -5.11 115.29 109.88 1j3d s HIS 30 Ca 0.21 -0.69 -0.31 0.00 -0.15 0.00 0.00 55.06 54.13 1j3d s HIS 30 Cb 0.11 -0.02 -0.07 0.00 1.11 0.00 0.00 32.58 33.70 1j3d s HIS 30 CO 0.16 -1.12 1.51 -1.25 -0.85 0.00 0.00 174.74 173.19 1j3d s PRO 31 N 1.11 4.25 0.00 8.40 0.04 -1.22 -2.00 135.00 145.57 1j3d s PRO 31 Ca 0.24 2.16 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1j3d s PRO 31 Cb -0.04 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 31.02 1j3d s PRO 31 CO -0.07 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 176.77 1j3d n GLY 32 N 3.76 3.35 3.50 0.56 0.00 -1.26 -4.99 105.19 110.11 1j3d n GLY 32 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 1.33 0.00 0.99 -0.00 -0.85 -4.91 117.00 113.57 1j3d n LEU 33 Ca 0.00 -0.03 -0.09 0.00 -0.00 0.00 0.00 56.01 55.89 1j3d n LEU 33 Cb 0.00 -1.22 0.09 0.00 -0.00 0.00 0.00 43.42 42.29 1j3d n LEU 33 CO 0.00 -1.04 0.10 -1.54 -0.00 0.00 0.00 177.39 174.91 1j3d n SER 34 N 12.33 -2.41 -1.23 1.96 3.41 -1.26 -4.85 113.62 121.57 1j3d n SER 34 Ca 0.51 -0.26 0.05 0.00 -0.26 0.00 0.00 58.87 58.92 1j3d n SER 34 Cb 0.25 -0.32 0.24 0.00 -0.26 0.00 0.00 64.21 64.12 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 -3.72 1.43 -0.12 -1.33 2.08 -1.26 -4.13 119.36 112.30 1j3d n ILE 35 Ca 0.04 -0.80 -0.24 0.00 0.56 0.00 0.00 62.75 62.31 1j3d n ILE 35 Cb 0.18 -0.19 -0.08 0.00 -0.75 0.00 0.00 39.64 38.80 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 0.61 -0.45 0.13 7.39 0.00 -1.26 -3.75 105.19 107.86 1j3d n GLY 36 Ca 0.17 -0.18 -0.10 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 -0.95 0.30 0.24 1.61 3.32 -1.94 -2.02 116.42 116.98 1j3d h ASP 37 Ca -0.51 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.32 1j3d h ASP 37 Cb 1.43 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 1j3d h ASP 37 CO -0.31 0.37 -0.28 0.00 -1.72 0.00 0.00 179.24 177.30 1j3d h THR 38 N 0.21 1.22 0.00 0.35 1.03 -1.82 -1.44 112.91 112.47 1j3d h THR 38 Ca 0.07 -1.06 -0.05 0.00 -0.01 0.00 0.00 66.41 65.36 1j3d h THR 38 Cb 0.16 1.51 -0.01 0.00 -1.07 0.00 0.00 68.15 68.74 1j3d h THR 38 CO -0.01 0.31 -0.25 0.00 -0.01 0.00 0.00 175.52 175.56 1j3d h ALA 39 N 1.64 1.43 0.04 0.00 0.00 -1.54 0.38 119.26 121.20 1j3d h ALA 39 Ca 0.01 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 1j3d h ALA 39 Cb 0.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1j3d h ALA 39 CO 0.04 0.31 -1.01 0.87 0.00 0.00 0.00 179.25 179.47 1j3d h LYS 40 N 0.00 0.16 0.00 0.00 1.57 -0.56 -2.33 116.57 115.41 1j3d h LYS 40 Ca -0.00 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 1j3d h LYS 40 Cb 0.49 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1j3d h LYS 40 CO 0.03 1.04 -0.58 -0.22 -0.57 0.00 0.00 179.45 179.15 1j3d h LYS 41 N 0.07 0.00 0.03 3.15 3.64 -0.85 -3.24 116.57 119.37 1j3d h LYS 41 Ca -0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1j3d h LYS 41 Cb 1.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1j3d h LYS 41 CO 0.15 0.14 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.39 1j3d h LEU 42 N 0.00 -0.04 -1.85 5.20 4.07 -0.27 -3.16 115.31 119.27 1j3d h LEU 42 Ca -0.02 -0.20 0.16 0.00 0.08 0.00 0.00 57.88 57.90 1j3d h LEU 42 Cb 1.16 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.89 1j3d h LEU 42 CO 0.02 0.56 0.58 1.23 -1.08 0.00 0.00 178.44 179.75 1j3d h GLY 43 N -1.00 0.00 1.06 0.83 0.00 -1.57 0.62 103.07 103.00 1j3d h GLY 43 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1j3d h GLY 43 CO 0.01 0.00 -0.45 -2.09 0.00 0.00 0.00 176.54 174.01 1j3d h GLU 44 N 0.00 0.79 0.14 4.80 4.81 -1.61 -2.28 114.58 121.23 1j3d h GLU 44 Ca 0.26 -0.48 -0.30 0.00 -0.13 0.00 0.00 59.36 58.72 1j3d h GLU 44 Cb 1.42 0.05 0.02 0.00 0.63 0.00 0.00 28.75 30.88 1j3d h GLU 44 CO -0.00 1.11 -1.27 0.52 -0.73 0.00 0.00 179.01 178.64 1j3d h MET 45 N 0.54 0.53 -0.26 1.92 2.86 0.02 -3.16 114.93 117.38 1j3d h MET 45 Ca 0.02 -0.76 0.05 0.00 -2.06 0.00 0.00 59.70 56.95 1j3d h MET 45 Cb 1.05 0.26 -0.04 0.00 0.06 0.00 0.00 31.60 32.92 1j3d h MET 45 CO 0.10 1.34 -0.03 2.35 1.06 0.00 0.00 176.91 181.73 1j3d h TRP 46 N 0.21 -0.07 0.00 -0.22 -0.00 -0.21 0.26 115.95 115.92 1j3d h TRP 46 Ca -0.18 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.73 1j3d h TRP 46 Cb 1.95 0.07 0.00 0.00 -0.00 0.00 0.00 29.16 31.18 1j3d h TRP 46 CO 0.10 -0.07 0.00 0.45 -0.00 0.00 0.00 178.44 178.92 1j3d n SER 47 N -5.19 0.00 -0.07 2.65 2.88 -0.86 -1.75 113.62 111.29 1j3d n SER 47 Ca -0.01 0.43 0.09 0.00 -1.33 0.00 0.00 58.87 58.04 1j3d n SER 47 Cb 0.14 -0.46 -0.08 0.00 -0.75 0.00 0.00 64.21 63.06 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 -1.46 1.19 -2.43 -1.46 -0.58 0.73 -4.96 120.64 111.67 1j3d n GLU 48 Ca 0.03 -0.15 -0.37 0.00 -0.42 0.00 0.00 57.16 56.25 1j3d n GLU 48 Cb 0.12 -1.34 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 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 -2.59 4.08 0.00 3.49 1.11 -0.07 -5.03 119.66 120.65 1j3d s GLN 49 Ca 0.08 1.65 0.00 0.00 0.01 0.00 0.00 55.36 57.10 1j3d s GLN 49 Cb 0.14 -2.58 0.00 0.00 -1.01 0.00 0.00 33.01 29.56 1j3d s GLN 49 CO 0.69 -0.25 0.00 -1.13 0.01 0.00 0.00 175.29 174.61 1j3d n SER 50 N -0.06 0.00 -0.04 5.90 3.41 -1.26 -4.90 113.62 116.67 1j3d n SER 50 Ca 0.05 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.67 1j3d n SER 50 Cb 0.48 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.32 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 2.15 0.01 7.33 0.00 -1.26 -4.22 120.51 121.52 1j3d n ALA 51 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.70 1j3d n ALA 51 Cb 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.15 -2.24 0.00 3.64 -2.01 -2.96 116.57 112.85 1j3d h LYS 52 Ca -0.18 0.01 -0.58 0.00 -1.27 0.00 0.00 60.65 58.63 1j3d h LYS 52 Cb 1.25 0.03 -0.42 0.00 -0.41 0.00 0.00 32.23 32.69 1j3d h LYS 52 CO 0.01 -0.10 -0.70 -0.25 -2.27 0.00 0.00 179.45 176.15 1j3d n ASP 53 N -5.25 3.94 0.00 4.20 9.92 -1.26 -4.69 116.55 123.40 1j3d n ASP 53 Ca -0.04 -3.56 0.00 0.00 -0.53 0.00 0.00 54.79 50.66 1j3d n ASP 53 Cb 0.17 -0.59 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 0.01 0.00 -0.03 -1.24 4.81 -1.23 -4.75 118.16 115.73 1j3d n LYS 54 Ca 0.30 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.61 1j3d n LYS 54 Cb 0.42 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.36 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 -0.03 0.00 1.64 1.08 -1.70 -3.04 115.11 113.06 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 0.69 0.00 -0.35 -0.95 0.00 0.00 178.83 178.22 1j3d n PRO 56 N -4.74 0.04 0.01 1.46 -0.04 -1.26 -3.17 135.00 127.30 1j3d n PRO 56 Ca -0.09 0.13 -0.14 0.00 -0.04 0.00 0.00 63.50 63.36 1j3d n PRO 56 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.25 0.00 0.54 0.05 -1.92 -3.09 116.97 112.79 1j3d h TYR 57 Ca 0.00 -0.18 -0.05 0.00 0.05 0.00 0.00 58.73 58.55 1j3d h TYR 57 Cb 0.34 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 1j3d h TYR 57 CO 0.00 1.32 -0.23 1.05 -1.05 0.00 0.00 178.16 179.25 1j3d h GLU 58 N 0.04 0.00 0.00 4.88 4.11 -1.49 -2.47 114.58 119.65 1j3d h GLU 58 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 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 0.10 0.23 -0.56 1.04 0.07 0.00 0.00 179.01 179.89 1j3d n GLN 59 N -3.23 0.11 -0.02 1.06 1.13 -1.19 -1.94 117.38 113.29 1j3d n GLN 59 Ca 0.02 0.02 -0.13 0.00 -1.94 0.00 0.00 57.00 54.97 1j3d n GLN 59 Cb 0.54 -1.56 -0.14 0.00 0.11 0.00 0.00 30.24 29.18 1j3d n GLN 59 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1j3d n LYS 60 N -1.71 0.68 0.03 -1.09 4.81 -1.12 -3.70 118.16 116.06 1j3d n LYS 60 Ca 0.05 0.26 -0.10 0.00 -0.87 0.00 0.00 58.31 57.65 1j3d n LYS 60 Cb 0.37 -1.74 -0.13 0.00 0.02 0.00 0.00 35.03 33.55 1j3d n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1j3d h ALA 61 N 0.68 0.52 0.83 3.14 0.00 -1.56 -3.19 119.26 119.69 1j3d h ALA 61 Ca -0.36 -1.19 -0.04 0.00 0.00 0.00 0.00 54.91 53.32 1j3d h ALA 61 Cb 2.04 0.20 0.00 0.00 0.00 0.00 0.00 17.79 20.03 1j3d h ALA 61 CO 0.07 1.37 -0.45 0.00 0.00 0.00 0.00 179.25 180.25 1j3d h ALA 62 N 0.89 -1.21 0.00 0.00 0.00 -1.54 0.13 119.26 117.53 1j3d h ALA 62 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1j3d h ALA 62 Cb 1.92 0.52 0.00 0.00 0.00 0.00 0.00 17.79 20.23 1j3d h ALA 62 CO 0.11 -1.19 0.00 -0.22 0.00 0.00 0.00 179.25 177.96 1j3d h LYS 63 N -1.18 0.00 0.15 0.00 3.64 -1.72 -1.98 116.57 115.47 1j3d h LYS 63 Ca -0.11 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.97 1j3d h LYS 63 Cb 0.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1j3d h LYS 63 CO 0.15 0.00 -1.43 -0.07 -2.27 0.00 0.00 179.45 175.83 1j3d h LEU 64 N 0.00 0.48 -0.06 5.20 3.38 -1.30 -3.17 115.31 119.85 1j3d h LEU 64 Ca 0.00 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 1j3d h LEU 64 Cb 0.18 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1j3d h LEU 64 CO 0.00 1.47 0.01 0.50 0.09 0.00 0.00 178.44 180.51 1j3d h LYS 65 N 0.08 0.10 -0.39 1.13 3.64 -0.02 -2.53 116.57 118.59 1j3d h LYS 65 Ca -0.21 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1j3d h LYS 65 Cb 2.03 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.82 1j3d h LYS 65 CO 0.20 0.33 0.30 1.49 -2.27 0.00 0.00 179.45 179.50 1j3d h GLU 66 N -0.15 0.00 0.00 1.90 4.81 -1.60 0.11 114.58 119.65 1j3d h GLU 66 Ca 0.02 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.13 1j3d h GLU 66 Cb 0.28 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1j3d h GLU 66 CO 0.00 0.00 -0.57 0.87 -0.73 0.00 0.00 179.01 178.58 1j3d h LYS 67 N 0.00 0.00 -0.39 1.92 1.57 -1.42 -2.96 116.57 115.28 1j3d h LYS 67 Ca 0.18 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1j3d h LYS 67 Cb 0.78 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 1j3d h LYS 67 CO -0.00 0.57 -0.14 -0.92 -0.57 0.00 0.00 179.45 178.38 1j3d h TYR 68 N 0.00 0.79 -0.99 -1.35 3.20 -0.58 0.25 116.97 118.29 1j3d h TYR 68 Ca -0.01 -0.15 0.06 0.00 3.14 0.00 0.00 58.73 61.78 1j3d h TYR 68 Cb 1.02 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 39.03 1j3d h TYR 68 CO 0.00 0.81 0.64 0.93 -1.64 0.00 0.00 178.16 178.91 1j3d h GLU 69 N 0.64 1.14 0.19 1.82 5.08 -1.40 0.71 114.58 122.76 1j3d h GLU 69 Ca 0.11 -0.07 -0.33 0.00 -1.00 0.00 0.00 59.36 58.07 1j3d h GLU 69 Cb 0.61 -0.26 0.02 0.00 0.50 0.00 0.00 28.75 29.62 1j3d h GLU 69 CO 0.04 0.75 -1.56 0.87 -1.00 0.00 0.00 179.01 178.11 1j3d h LYS 70 N 1.17 0.41 0.42 2.33 6.56 -1.56 -2.71 116.57 123.18 1j3d h LYS 70 Ca 0.42 -0.69 -0.02 0.00 -1.06 0.00 0.00 60.65 59.30 1j3d h LYS 70 Cb 0.15 0.26 0.00 0.00 -0.57 0.00 0.00 32.23 32.07 1j3d h LYS 70 CO -0.16 1.31 -0.20 -0.44 -2.06 0.00 0.00 179.45 177.90 1j3d h ASP 71 N 0.11 -0.47 -0.61 0.86 3.32 -0.45 -2.46 116.42 116.72 1j3d h ASP 71 Ca -0.27 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 56.78 1j3d h ASP 71 Cb 2.10 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 41.74 1j3d h ASP 71 CO 0.21 -0.30 0.41 0.40 -1.72 0.00 0.00 179.24 178.24 1j3d h ILE 72 N -0.61 1.13 -0.56 0.35 1.08 0.29 -2.45 117.51 116.74 1j3d h ILE 72 Ca -0.06 -0.27 0.07 0.00 -0.39 0.00 0.00 64.86 64.21 1j3d h ILE 72 Cb 0.46 0.27 -0.06 0.00 -3.07 0.00 0.00 36.82 34.42 1j3d h ILE 72 CO 0.09 0.14 0.24 0.00 -0.69 0.00 0.00 178.15 177.94 1j3d h ALA 73 N 1.63 0.72 0.00 1.87 0.00 -1.11 1.08 119.26 123.45 1j3d h ALA 73 Ca 0.23 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1j3d h ALA 73 Cb -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1j3d h ALA 73 CO -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 179.25 179.03 1j3d h ALA 74 N 1.35 1.02 -0.01 0.00 0.00 -1.07 -2.47 119.26 118.09 1j3d h ALA 74 Ca 0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1j3d h ALA 74 Cb 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1j3d h ALA 74 CO -0.23 0.02 -0.48 0.98 0.00 0.00 0.00 179.25 179.54 1j3d n TYR 75 N -3.14 0.00 0.33 0.00 9.36 -0.04 -4.46 117.16 119.21 1j3d n TYR 75 Ca -0.01 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.08 1j3d n TYR 75 Cb 0.24 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.89 1j3d n TYR 75 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1j3d h ARG 76 N 1.18 -0.83 0.00 2.98 2.43 0.16 -3.45 114.38 116.85 1j3d h ARG 76 Ca 0.00 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1j3d h ARG 76 Cb 0.49 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 1j3d h ARG 76 CO 0.00 -0.55 0.00 0.00 -1.51 0.00 0.00 179.97 177.91 1j3d n ALA 77 N -2.53 2.13 -0.32 2.80 0.00 -1.26 -5.10 120.51 116.23 1j3d n ALA 77 Ca -0.11 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1j3d n ALA 77 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1j3d n ALA 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67