#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3c s LYS 2 N 0.00 1.30 -0.16 2.12 1.02 -1.26 -4.81 119.74 117.95 1j3c s LYS 2 Ca 0.00 -1.00 -0.04 0.00 0.02 0.00 0.00 55.97 54.95 1j3c s LYS 2 Cb 0.00 -2.20 0.01 0.00 -0.52 0.00 0.00 37.83 35.12 1j3c s LYS 2 CO 0.00 -1.77 0.08 1.17 -0.92 0.00 0.00 175.35 173.90 1j3c n LYS 3 N -3.11 -2.86 0.00 1.68 4.81 -1.26 -4.93 118.16 112.48 1j3c n LYS 3 Ca 0.16 2.36 0.00 0.00 -0.87 0.00 0.00 58.31 59.96 1j3c n LYS 3 Cb 0.60 -3.71 0.00 0.00 0.02 0.00 0.00 35.03 31.95 1j3c n LYS 3 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1j3c n LYS 4 N 1.42 0.00 -4.46 1.64 5.02 -1.26 -4.87 118.16 115.66 1j3c n LYS 4 Ca -0.13 0.47 -0.26 0.00 -2.02 0.00 0.00 58.31 56.37 1j3c n LYS 4 Cb 0.30 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 33.74 1j3c n LYS 4 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1j3c s ASP 5 N -2.00 3.95 0.51 4.39 1.01 -1.26 -5.02 116.67 118.24 1j3c s ASP 5 Ca 0.00 -1.14 0.30 0.00 0.71 0.00 0.00 52.55 52.41 1j3c s ASP 5 Cb 0.00 -0.43 1.07 0.00 1.01 0.00 0.00 42.92 44.57 1j3c s ASP 5 CO 0.00 -0.27 1.87 1.55 0.21 0.00 0.00 175.17 178.53 1j3c h PRO 6 N 1.87 0.00 0.00 8.23 0.13 -2.01 -3.21 132.00 137.01 1j3c h PRO 6 Ca -0.43 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 1j3c h PRO 6 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1j3c h PRO 6 CO 0.71 0.05 -1.85 -1.71 -0.23 0.00 0.00 178.00 174.97 1j3c n ASN 7 N -3.15 1.40 -4.77 1.44 5.15 -1.26 -4.97 115.26 109.10 1j3c n ASN 7 Ca 0.01 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.60 1j3c n ASN 7 Cb 0.38 1.32 -0.06 0.00 -0.53 0.00 0.00 39.78 40.89 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1j3c s ALA 8 N -2.75 3.32 0.24 5.20 0.00 -1.21 -5.02 121.76 121.54 1j3c s ALA 8 Ca -0.06 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 1j3c s ALA 8 Cb 0.07 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.97 1j3c s ALA 8 CO 0.63 0.22 1.12 -1.25 0.00 0.00 0.00 175.76 176.48 1j3c s PRO 9 N -1.49 4.60 0.00 0.00 0.04 -1.26 -4.37 135.00 132.52 1j3c s PRO 9 Ca 0.43 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1j3c s PRO 9 Cb -0.23 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1j3c s PRO 9 CO 0.28 0.13 0.00 0.36 0.04 0.00 0.00 177.00 177.80 1j3c n LYS 10 N 1.67 -0.72 -2.30 4.56 0.00 -1.26 -4.83 118.16 115.28 1j3c n LYS 10 Ca 0.01 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 1j3c n LYS 10 Cb 0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.46 1j3c n LYS 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1j3c s ARG 11 N -1.79 3.88 0.01 -1.58 3.00 -1.26 -4.98 118.95 116.23 1j3c s ARG 11 Ca 0.00 1.76 -0.30 0.00 0.00 0.00 0.00 55.73 57.19 1j3c s ARG 11 Cb 0.00 -2.49 -0.04 0.00 0.00 0.00 0.00 34.95 32.42 1j3c s ARG 11 CO 0.00 -0.45 1.13 -1.25 0.00 0.00 0.00 175.30 174.73 1j3c s PRO 12 N -2.58 4.45 0.56 3.54 0.04 -1.26 -5.04 135.00 134.71 1j3c s PRO 12 Ca 0.61 1.64 -0.09 0.00 0.04 0.00 0.00 61.00 63.21 1j3c s PRO 12 Cb -0.28 -3.43 0.13 0.00 0.04 0.00 0.00 34.50 30.96 1j3c s PRO 12 CO 0.35 -0.24 0.77 -0.35 0.04 0.00 0.00 177.00 177.56 1j3c n PRO 13 N 4.22 -0.65 -2.69 0.56 -0.04 -1.26 -5.02 135.00 130.13 1j3c n PRO 13 Ca 0.09 -1.28 -0.06 0.00 -0.04 0.00 0.00 63.50 62.21 1j3c n PRO 13 Cb 0.48 -0.76 0.09 0.00 -0.04 0.00 0.00 33.50 33.26 1j3c n PRO 13 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3c n SER 14 N -3.44 -1.68 0.00 3.54 2.88 -1.26 -4.79 113.62 108.87 1j3c n SER 14 Ca 0.10 -2.52 0.00 0.00 -1.33 0.00 0.00 58.87 55.12 1j3c n SER 14 Cb 0.34 1.36 0.00 0.00 -0.75 0.00 0.00 64.21 65.17 1j3c n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3c n ALA 15 N 0.11 0.00 -0.18 -1.46 0.00 -1.23 -4.20 120.51 113.54 1j3c n ALA 15 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.37 1j3c n ALA 15 Cb 0.74 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.23 1j3c n ALA 15 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1j3c h PHE 16 N 0.00 -0.26 -0.83 0.00 3.57 -1.97 0.22 116.94 117.68 1j3c h PHE 16 Ca 0.00 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1j3c h PHE 16 Cb 0.00 0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 1j3c h PHE 16 CO 0.00 -0.23 0.54 0.35 -2.23 0.00 0.00 178.31 176.75 1j3c h PHE 17 N 0.01 0.94 -0.25 0.41 3.57 -1.95 0.16 116.94 119.83 1j3c h PHE 17 Ca 0.27 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.74 1j3c h PHE 17 Cb 0.41 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1j3c h PHE 17 CO -0.44 0.51 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.04 1j3c h LEU 18 N 0.95 0.48 0.01 0.59 3.38 -0.98 0.73 115.31 120.46 1j3c h LEU 18 Ca 0.35 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j3c h LEU 18 Cb 0.17 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1j3c h LEU 18 CO -0.12 0.71 -0.01 0.15 0.09 0.00 0.00 178.44 179.27 1j3c h PHE 19 N 0.23 -0.02 0.00 1.13 3.57 -0.26 -0.12 116.94 121.47 1j3c h PHE 19 Ca 0.07 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1j3c h PHE 19 Cb 0.50 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.24 1j3c h PHE 19 CO 0.05 0.17 -0.13 0.00 -2.23 0.00 0.00 178.31 176.16 1j3c n SER 21 N -4.29 3.81 0.00 0.00 3.41 0.24 -3.81 113.62 112.99 1j3c n SER 21 Ca -0.03 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.24 1j3c n SER 21 Cb 0.21 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1j3c n SER 21 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1j3c n GLU 22 N 0.84 0.07 0.00 4.33 -0.58 -0.10 -4.90 120.64 120.30 1j3c n GLU 22 Ca 0.20 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1j3c n GLU 22 Cb 0.72 -0.26 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 1j3c n GLU 22 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1j3c n TYR 23 N -0.01 0.00 -0.16 -0.32 4.02 -0.35 -4.75 117.16 115.59 1j3c n TYR 23 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 1j3c n TYR 23 Cb 0.12 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.45 1j3c n TYR 23 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1j3c h ARG 24 N 0.00 -0.17 -0.11 -0.72 3.08 -1.75 0.17 114.38 114.89 1j3c h ARG 24 Ca 0.00 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1j3c h ARG 24 Cb 0.87 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 1j3c h ARG 24 CO 0.00 -0.11 0.09 -1.00 -1.07 0.00 0.00 179.97 177.88 1j3c h PRO 25 N -0.17 0.00 -0.18 0.04 0.13 -1.88 0.01 132.00 129.95 1j3c h PRO 25 Ca 0.21 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 1j3c h PRO 25 Cb 0.52 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.64 1j3c h PRO 25 CO -0.59 0.00 -0.14 -0.22 -0.23 0.00 0.00 178.00 176.82 1j3c h LYS 26 N 0.00 0.41 0.00 0.86 3.11 -1.00 -2.63 116.57 117.33 1j3c h LYS 26 Ca 0.05 -0.20 0.00 0.00 -2.81 0.00 0.00 60.65 57.69 1j3c h LYS 26 Cb 0.24 -0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.47 1j3c h LYS 26 CO -0.00 0.75 0.00 0.82 -2.81 0.00 0.00 179.45 178.21 1j3c h ILE 27 N 0.08 0.00 0.00 2.00 1.08 0.12 -1.95 117.51 118.84 1j3c h ILE 27 Ca 0.03 -0.02 -0.20 0.00 -0.39 0.00 0.00 64.86 64.29 1j3c h ILE 27 Cb 0.66 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 1j3c h ILE 27 CO 0.04 0.00 -1.27 0.11 -0.69 0.00 0.00 178.15 176.34 1j3c h LYS 28 N 0.00 0.00 0.00 2.37 1.79 -1.06 -1.90 116.57 117.77 1j3c h LYS 28 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1j3c h LYS 28 Cb 0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.67 1j3c h LYS 28 CO 0.00 0.48 0.00 0.45 -1.08 0.00 0.00 179.45 179.30 1j3c n SER 29 N -3.06 0.62 0.00 0.86 2.88 -0.73 -3.45 113.62 110.74 1j3c n SER 29 Ca -0.08 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 1j3c n SER 29 Cb 0.89 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1j3c n SER 29 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1j3c n GLU 30 N -2.19 -0.00 -3.45 -1.46 -0.58 -1.24 -4.97 120.64 106.74 1j3c n GLU 30 Ca 0.02 -0.33 -0.25 0.00 -0.42 0.00 0.00 57.16 56.18 1j3c n GLU 30 Cb 0.23 -0.67 -0.12 0.00 -0.57 0.00 0.00 31.44 30.31 1j3c n GLU 30 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1j3c s HIS 31 N -0.08 0.29 0.17 -0.32 3.76 -0.71 -4.98 115.29 113.41 1j3c s HIS 31 Ca 0.00 -1.13 0.00 0.00 -0.15 0.00 0.00 55.06 53.78 1j3c s HIS 31 Cb 0.00 -0.75 0.02 0.00 1.11 0.00 0.00 32.58 32.95 1j3c s HIS 31 CO 0.00 -0.87 1.39 -1.00 -0.85 0.00 0.00 174.74 173.41 1j3c h PRO 32 N 7.48 0.30 -0.02 8.40 0.13 -1.83 -3.13 132.00 143.33 1j3c h PRO 32 Ca -0.02 -0.29 -0.14 0.00 -0.87 0.00 0.00 66.00 64.68 1j3c h PRO 32 Cb 1.01 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1j3c h PRO 32 CO 0.30 0.97 -0.63 0.78 -0.23 0.00 0.00 178.00 179.19 1j3c h GLY 33 N 1.54 0.09 -7.11 1.56 0.00 -1.95 -3.42 103.07 93.77 1j3c h GLY 33 Ca -0.05 -0.11 -0.27 0.00 0.00 0.00 0.00 47.33 46.91 1j3c h GLY 33 CO 0.13 0.10 1.45 1.04 0.00 0.00 0.00 176.54 179.26 1j3c n LEU 34 N -3.81 -0.40 -4.95 3.11 7.99 -1.18 -4.89 117.00 112.86 1j3c n LEU 34 Ca -0.02 -0.78 -0.24 0.00 -0.01 0.00 0.00 56.01 54.96 1j3c n LEU 34 Cb 0.63 -0.89 0.06 0.00 -0.11 0.00 0.00 43.42 43.11 1j3c n LEU 34 CO 0.43 -1.75 0.53 -0.55 -1.51 0.00 0.00 177.39 174.54 1j3c s SER 35 N 3.72 4.89 0.61 -1.43 0.15 -1.26 -4.67 113.70 115.70 1j3c s SER 35 Ca 1.21 0.20 0.29 0.00 0.70 0.00 0.00 55.95 58.35 1j3c s SER 35 Cb -0.65 -0.89 1.53 0.00 -1.71 0.00 0.00 66.02 64.29 1j3c s SER 35 CO 0.42 -1.49 1.93 0.40 1.20 0.00 0.00 173.24 175.70 1j3c h ILE 36 N -0.38 0.30 0.32 6.45 5.03 -1.94 0.83 117.51 128.13 1j3c h ILE 36 Ca -0.43 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.30 1j3c h ILE 36 Cb 1.30 0.66 0.00 0.00 -3.03 0.00 0.00 36.82 35.75 1j3c h ILE 36 CO 0.55 0.00 -0.16 1.23 -0.68 0.00 0.00 178.15 179.09 1j3c h GLY 37 N 0.00 -0.46 2.00 5.37 0.00 -1.96 0.92 103.07 108.94 1j3c h GLY 37 Ca 0.15 0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.52 1j3c h GLY 37 CO -0.00 -0.17 -0.63 -1.80 0.00 0.00 0.00 176.54 173.94 1j3c h ASP 38 N -0.48 0.00 0.51 0.19 1.82 -1.81 -3.10 116.42 113.55 1j3c h ASP 38 Ca -0.04 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.52 1j3c h ASP 38 Cb 0.33 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.33 1j3c h ASP 38 CO 0.07 0.63 -0.38 0.74 -1.61 0.00 0.00 179.24 178.69 1j3c h THR 39 N 0.00 1.12 0.00 2.25 2.02 0.65 0.74 112.91 119.69 1j3c h THR 39 Ca -0.01 -1.36 -0.11 0.00 0.77 0.00 0.00 66.41 65.70 1j3c h THR 39 Cb 1.24 1.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.40 1j3c h THR 39 CO 0.08 0.37 -0.53 0.00 0.37 0.00 0.00 175.52 175.81 1j3c h ALA 40 N 1.62 0.67 0.00 6.16 0.00 -0.73 -3.29 119.26 123.69 1j3c h ALA 40 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1j3c h ALA 40 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1j3c h ALA 40 CO 0.05 0.66 -0.94 0.36 0.00 0.00 0.00 179.25 179.38 1j3c n LYS 41 N -3.25 1.55 0.01 0.00 2.85 -1.03 -4.34 118.16 113.96 1j3c n LYS 41 Ca 0.02 -0.03 0.13 0.00 -1.05 0.00 0.00 58.31 57.38 1j3c n LYS 41 Cb 0.74 -1.27 0.42 0.00 -0.65 0.00 0.00 35.03 34.26 1j3c n LYS 41 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1j3c n LYS 42 N -1.50 0.04 -0.02 -1.58 3.00 0.25 -3.46 118.16 114.90 1j3c n LYS 42 Ca 0.02 0.02 -0.11 0.00 -0.00 0.00 0.00 58.31 58.24 1j3c n LYS 42 Cb 0.28 -1.54 -0.14 0.00 0.00 0.00 0.00 35.03 33.63 1j3c n LYS 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1j3c n LEU 43 N -1.61 1.23 0.10 3.14 4.77 -1.24 -3.92 117.00 119.47 1j3c n LEU 43 Ca 0.06 0.38 -0.02 0.00 -0.03 0.00 0.00 56.01 56.39 1j3c n LEU 43 Cb 0.35 -0.09 0.21 0.00 -2.33 0.00 0.00 43.42 41.57 1j3c n LEU 43 CO 0.31 0.48 0.61 1.23 -1.33 0.00 0.00 177.39 178.70 1j3c h GLY 44 N 3.03 0.24 0.60 -0.72 0.00 -1.76 -2.63 103.07 101.83 1j3c h GLY 44 Ca -0.31 -0.24 0.09 0.00 0.00 0.00 0.00 47.33 46.87 1j3c h GLY 44 CO 0.08 0.22 0.64 0.83 0.00 0.00 0.00 176.54 178.31 1j3c h GLU 45 N 0.18 1.06 0.07 4.80 5.08 -1.67 -1.09 114.58 123.00 1j3c h GLU 45 Ca 0.01 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 1j3c h GLU 45 Cb 0.87 -0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.89 1j3c h GLU 45 CO 0.07 0.70 -0.53 0.52 -1.00 0.00 0.00 179.01 178.77 1j3c h MET 46 N 1.09 0.23 0.00 2.33 2.86 -1.68 -2.10 114.93 117.66 1j3c h MET 46 Ca 0.47 -0.35 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1j3c h MET 46 Cb 0.33 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1j3c h MET 46 CO -0.22 1.12 0.00 2.35 1.06 0.00 0.00 176.91 181.23 1j3c h TRP 47 N -0.48 0.00 0.00 -0.22 2.91 -1.17 -2.01 115.95 114.98 1j3c h TRP 47 Ca -0.09 0.00 -0.32 0.00 1.13 0.00 0.00 58.89 59.62 1j3c h TRP 47 Cb 1.36 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 29.96 1j3c h TRP 47 CO 0.20 0.00 -2.21 0.45 -1.03 0.00 0.00 178.44 175.86 1j3c n SER 48 N -2.65 2.00 0.08 2.65 2.88 -0.44 -4.58 113.62 113.56 1j3c n SER 48 Ca -0.02 -0.09 -0.08 0.00 -1.33 0.00 0.00 58.87 57.35 1j3c n SER 48 Cb 0.05 -0.05 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1j3c n SER 48 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1j3c h GLU 49 N 0.00 0.21 -7.17 -1.46 4.11 -1.18 -3.46 114.58 105.63 1j3c h GLU 49 Ca -0.47 -0.21 -0.53 0.00 0.07 0.00 0.00 59.36 58.21 1j3c h GLU 49 Cb 1.81 0.06 0.19 0.00 0.50 0.00 0.00 28.75 31.30 1j3c h GLU 49 CO -0.05 0.92 0.24 1.04 0.07 0.00 0.00 179.01 181.23 1j3c n GLN 50 N -3.71 0.04 0.00 1.06 1.13 -0.77 -5.03 117.38 110.10 1j3c n GLN 50 Ca -0.03 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1j3c n GLN 50 Cb 0.76 -2.38 0.00 0.00 0.11 0.00 0.00 30.24 28.74 1j3c n GLN 50 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 1j3c n SER 51 N -3.27 0.00 -1.82 1.08 3.41 -1.26 -4.82 113.62 106.94 1j3c n SER 51 Ca 0.13 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.58 1j3c n SER 51 Cb 0.51 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.52 1j3c n SER 51 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3c n ALA 52 N -3.00 4.80 -0.02 7.33 0.00 -1.26 -4.02 120.51 124.34 1j3c n ALA 52 Ca 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 53.44 51.70 1j3c n ALA 52 Cb 0.00 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 1j3c n ALA 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j3c n LYS 53 N -0.00 1.56 -1.80 0.00 4.01 -1.26 -4.16 118.16 116.51 1j3c n LYS 53 Ca 0.32 0.02 -0.34 0.00 -0.51 0.00 0.00 58.31 57.80 1j3c n LYS 53 Cb 0.79 -1.10 -0.02 0.00 -0.51 0.00 0.00 35.03 34.19 1j3c n LYS 53 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1j3c n ASP 54 N -2.42 7.14 0.04 4.39 2.03 -1.26 -4.27 116.55 122.21 1j3c n ASP 54 Ca -0.08 -3.33 0.00 0.00 0.52 0.00 0.00 54.79 51.90 1j3c n ASP 54 Cb 0.61 -1.24 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1j3c n ASP 54 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1j3c n LYS 55 N 0.79 0.00 -0.40 -0.67 5.02 -1.26 -4.77 118.16 116.86 1j3c n LYS 55 Ca 0.53 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.74 1j3c n LYS 55 Cb 0.39 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.35 1j3c n LYS 55 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1j3c h GLN 56 N 0.00 -0.01 -0.13 1.97 7.50 -1.74 1.24 115.11 123.94 1j3c h GLN 56 Ca 0.00 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.06 1j3c h GLN 56 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 1j3c h GLN 56 CO 0.00 -0.01 -0.31 -1.00 -1.50 0.00 0.00 178.83 176.01 1j3c h PRO 57 N -0.01 0.25 0.00 1.46 0.13 -1.85 -2.52 132.00 129.45 1j3c h PRO 57 Ca 0.22 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1j3c h PRO 57 Cb 0.48 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1j3c h PRO 57 CO -0.95 0.54 -0.21 0.66 -0.23 0.00 0.00 178.00 177.81 1j3c n TYR 58 N -4.11 0.70 0.01 1.56 4.01 0.37 -3.72 117.16 115.97 1j3c n TYR 58 Ca -0.01 0.20 -0.01 0.00 -0.16 0.00 0.00 57.90 57.92 1j3c n TYR 58 Cb 0.41 -0.79 -0.01 0.00 -0.31 0.00 0.00 39.34 38.64 1j3c n TYR 58 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 1j3c h GLU 59 N 0.00 -0.08 -0.24 -0.72 4.39 0.19 -3.27 114.58 114.84 1j3c h GLU 59 Ca 0.00 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.78 1j3c h GLU 59 Cb 0.71 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1j3c h GLU 59 CO 0.00 -0.06 0.40 -0.56 -1.16 0.00 0.00 179.01 177.64 1j3c h GLN 60 N -0.62 0.00 -0.10 2.33 3.07 -1.70 -1.53 115.11 116.56 1j3c h GLN 60 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.73 1j3c h GLN 60 Cb 0.07 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.62 1j3c h GLN 60 CO 0.01 0.00 0.04 -0.22 0.09 0.00 0.00 178.83 178.76 1j3c h LYS 61 N 0.00 0.15 0.00 0.06 3.64 -1.65 -2.53 116.57 116.24 1j3c h LYS 61 Ca 0.12 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1j3c h LYS 61 Cb 0.92 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1j3c h LYS 61 CO -0.00 0.26 0.00 0.00 -2.27 0.00 0.00 179.45 177.44 1j3c h ALA 62 N 0.89 1.00 -0.46 5.00 0.00 -1.40 -3.24 119.26 121.06 1j3c h ALA 62 Ca 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1j3c h ALA 62 Cb 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1j3c h ALA 62 CO -0.00 0.00 0.21 0.00 0.00 0.00 0.00 179.25 179.45 1j3c h ALA 63 N 2.33 1.50 0.18 0.00 0.00 -0.99 -2.51 119.26 119.78 1j3c h ALA 63 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1j3c h ALA 63 Cb 0.74 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1j3c h ALA 63 CO 0.00 0.39 -0.09 0.87 0.00 0.00 0.00 179.25 180.43 1j3c h LYS 64 N 0.64 -0.24 -0.95 0.00 1.79 -1.57 -3.28 116.57 112.97 1j3c h LYS 64 Ca 0.16 0.02 0.28 0.00 -2.18 0.00 0.00 60.65 58.92 1j3c h LYS 64 Cb 0.09 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 1j3c h LYS 64 CO -0.02 -0.16 0.93 -0.07 -1.08 0.00 0.00 179.45 179.05 1j3c h LEU 65 N -0.73 0.00 -0.32 2.94 4.07 -1.69 0.28 115.31 119.87 1j3c h LEU 65 Ca -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 1j3c h LEU 65 Cb 0.19 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 1j3c h LEU 65 CO 0.04 0.00 0.03 0.50 -1.08 0.00 0.00 178.44 177.93 1j3c h LYS 66 N 0.00 0.54 0.36 1.13 1.63 -1.51 -1.18 116.57 117.55 1j3c h LYS 66 Ca 0.45 -0.16 -0.02 0.00 -0.85 0.00 0.00 60.65 60.07 1j3c h LYS 66 Cb 2.30 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.88 1j3c h LYS 66 CO -0.00 0.66 -0.17 1.49 -3.45 0.00 0.00 179.45 177.97 1j3c h GLU 67 N 0.36 -0.47 -0.58 1.90 4.81 -0.53 -1.00 114.58 119.07 1j3c h GLU 67 Ca 0.09 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.50 1j3c h GLU 67 Cb 0.39 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.85 1j3c h GLU 67 CO 0.01 -0.16 0.40 0.87 -0.73 0.00 0.00 179.01 179.40 1j3c h LYS 68 N -0.80 0.15 0.03 1.92 6.56 -1.53 0.03 116.57 122.93 1j3c h LYS 68 Ca -0.05 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1j3c h LYS 68 Cb 0.52 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.15 1j3c h LYS 68 CO 0.08 0.10 -0.01 -0.92 -2.06 0.00 0.00 179.45 176.64 1j3c h TYR 69 N 0.15 -0.04 -0.95 -1.35 3.20 -1.05 -0.04 116.97 116.89 1j3c h TYR 69 Ca 0.28 -0.00 0.28 0.00 3.14 0.00 0.00 58.73 62.42 1j3c h TYR 69 Cb 0.88 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 1j3c h TYR 69 CO -0.00 -0.02 0.77 0.93 -1.64 0.00 0.00 178.16 178.20 1j3c h GLU 70 N -0.15 0.00 0.00 1.82 5.08 -1.09 0.52 114.58 120.77 1j3c h GLU 70 Ca -0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1j3c h GLU 70 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1j3c h GLU 70 CO 0.01 0.00 -0.42 0.87 -1.00 0.00 0.00 179.01 178.47 1j3c h LYS 71 N 0.00 0.00 -0.08 2.33 1.79 -1.08 -3.20 116.57 116.33 1j3c h LYS 71 Ca 0.45 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.89 1j3c h LYS 71 Cb 1.99 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.64 1j3c h LYS 71 CO -0.00 0.23 -0.10 0.22 -1.08 0.00 0.00 179.45 178.72 1j3c h ASP 72 N -1.00 0.10 0.13 0.86 3.58 -0.51 -2.57 116.42 117.01 1j3c h ASP 72 Ca -0.05 -0.01 -0.17 0.00 0.42 0.00 0.00 57.03 57.22 1j3c h ASP 72 Cb 0.51 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1j3c h ASP 72 CO -0.03 0.22 -0.62 -0.29 -2.88 0.00 0.00 179.24 175.64 1j3c h ILE 73 N 0.11 1.34 -0.80 2.25 6.09 -0.13 -2.37 117.51 124.00 1j3c h ILE 73 Ca 0.02 -1.93 0.07 0.00 -1.37 0.00 0.00 64.86 61.65 1j3c h ILE 73 Cb 0.25 1.92 -0.06 0.00 0.47 0.00 0.00 36.82 39.39 1j3c h ILE 73 CO 0.01 0.59 0.47 0.00 -3.07 0.00 0.00 178.15 176.16 1j3c h ALA 74 N 0.97 1.10 0.00 0.18 0.00 -1.45 -0.98 119.26 119.07 1j3c h ALA 74 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j3c h ALA 74 Cb 1.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1j3c h ALA 74 CO 0.11 0.17 -0.31 0.00 0.00 0.00 0.00 179.25 179.23 1j3c n ALA 75 N -2.36 2.89 0.12 0.00 0.00 -1.20 -3.56 120.51 116.41 1j3c n ALA 75 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1j3c n ALA 75 Cb 0.20 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.38 1j3c n ALA 75 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1j3c h TYR 76 N 0.00 0.00 -0.18 0.00 3.20 -0.64 -3.24 116.97 116.11 1j3c h TYR 76 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1j3c h TYR 76 Cb 0.58 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1j3c h TYR 76 CO 0.00 0.61 0.00 0.54 -1.64 0.00 0.00 178.16 177.67 1j3c n ARG 77 N -3.28 2.20 -2.85 1.82 1.74 -0.99 -5.05 116.66 110.25 1j3c n ARG 77 Ca 0.01 -1.99 -0.02 0.00 -0.77 0.00 0.00 57.85 55.09 1j3c n ARG 77 Cb 0.77 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.75 1j3c n ARG 77 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1j3c n ALA 78 N 1.29 -2.74 -1.08 7.54 0.00 -1.23 -5.13 120.51 119.17 1j3c n ALA 78 Ca 0.15 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.55 1j3c n ALA 78 Cb 0.56 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 17.92 1j3c n ALA 78 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86