#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 2.93 -0.79 2.12 3.01 -1.26 -4.98 119.74 120.78 1j3c s LYS 2 Ca 0.00 -1.15 -0.19 0.00 -1.01 0.00 0.00 55.97 53.62 1j3c s LYS 2 Cb 0.00 -3.99 -0.14 0.00 -1.01 0.00 0.00 37.83 32.70 1j3c s LYS 2 CO 0.00 -0.84 1.95 1.17 0.51 0.00 0.00 175.35 178.14 1j3c n LYS 3 N 5.14 1.59 0.00 1.68 4.81 -1.26 -4.87 118.16 125.25 1j3c n LYS 3 Ca -0.11 -1.77 0.00 0.00 -0.87 0.00 0.00 58.31 55.56 1j3c n LYS 3 Cb 0.46 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.67 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 6.51 2.37 -3.81 1.64 5.02 -1.26 -5.10 118.16 123.53 1j3c n LYS 4 Ca 0.48 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.76 1j3c n LYS 4 Cb 0.35 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.37 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 -1.67 -0.05 0.24 4.39 1.01 -1.26 -5.03 116.67 114.30 1j3c s ASP 5 Ca 0.00 -0.41 0.01 0.00 0.71 0.00 0.00 52.55 52.86 1j3c s ASP 5 Cb 0.00 0.36 0.27 0.00 1.01 0.00 0.00 42.92 44.56 1j3c s ASP 5 CO 0.00 -0.69 1.61 1.55 0.21 0.00 0.00 175.17 177.84 1j3c h PRO 6 N 2.00 0.44 0.00 8.23 0.13 -2.04 -2.95 132.00 137.81 1j3c h PRO 6 Ca -0.26 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1j3c h PRO 6 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1j3c h PRO 6 CO 0.31 0.80 0.00 0.27 -0.23 0.00 0.00 178.00 179.16 1j3c n ASN 7 N -4.00 0.00 -4.94 1.44 0.23 -1.26 -4.78 115.26 101.94 1j3c n ASN 7 Ca -0.02 -1.34 -0.26 0.00 -0.53 0.00 0.00 54.58 52.43 1j3c n ASN 7 Cb 0.53 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.20 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j3c s ALA 8 N -2.00 3.89 -0.17 -2.53 0.00 -1.12 -4.99 121.76 114.85 1j3c s ALA 8 Ca 0.17 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 1j3c s ALA 8 Cb 0.08 -1.88 0.03 0.00 0.00 0.00 0.00 23.12 21.35 1j3c s ALA 8 CO 0.13 0.42 2.43 -0.35 0.00 0.00 0.00 175.76 178.39 1j3c n PRO 9 N -0.78 1.66 -1.46 0.00 -0.04 -1.26 -4.93 135.00 128.18 1j3c n PRO 9 Ca -0.06 -1.05 -0.47 0.00 -0.04 0.00 0.00 63.50 61.88 1j3c n PRO 9 Cb 0.54 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.42 1j3c n PRO 9 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1j3c n LYS 10 N 1.22 0.45 -2.85 0.54 5.02 -1.26 -4.15 118.16 117.13 1j3c n LYS 10 Ca 0.25 0.16 -0.03 0.00 -2.02 0.00 0.00 58.31 56.67 1j3c n LYS 10 Cb 0.61 -1.28 -0.02 0.00 -0.02 0.00 0.00 35.03 34.31 1j3c n LYS 10 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1j3c n ARG 11 N 0.92 -2.94 -2.51 1.97 3.00 -1.26 -4.88 116.66 110.96 1j3c n ARG 11 Ca 0.15 2.35 -0.42 0.00 -0.00 0.00 0.00 57.85 59.93 1j3c n ARG 11 Cb 0.27 -2.93 -0.03 0.00 0.00 0.00 0.00 32.46 29.76 1j3c n ARG 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1j3c s PRO 12 N -0.35 4.52 0.54 -0.14 0.04 -1.26 -5.02 135.00 133.33 1j3c s PRO 12 Ca -0.14 1.68 -0.15 0.00 0.04 0.00 0.00 61.00 62.43 1j3c s PRO 12 Cb 0.01 -3.34 -0.07 0.00 0.04 0.00 0.00 34.50 31.14 1j3c s PRO 12 CO 0.40 -0.09 0.99 -1.25 0.04 0.00 0.00 177.00 177.09 1j3c s PRO 13 N 0.51 3.86 -0.40 0.56 0.04 -1.26 -5.00 135.00 133.30 1j3c s PRO 13 Ca 0.54 0.90 0.09 0.00 0.04 0.00 0.00 61.00 62.57 1j3c s PRO 13 Cb -0.28 -2.12 0.38 0.00 0.04 0.00 0.00 34.50 32.52 1j3c s PRO 13 CO 0.31 -0.34 1.30 0.45 0.04 0.00 0.00 177.00 178.76 1j3c n SER 14 N -1.88 -1.76 0.00 6.66 2.88 -1.26 -4.60 113.62 113.66 1j3c n SER 14 Ca 0.06 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.96 1j3c n SER 14 Cb 0.54 1.04 0.00 0.00 -0.75 0.00 0.00 64.21 65.04 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 -0.43 0.00 -0.18 -1.46 0.00 -1.26 -4.36 120.51 112.82 1j3c n ALA 15 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 1j3c n ALA 15 Cb 0.83 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.85 -0.93 0.00 3.57 -1.96 0.12 116.94 116.88 1j3c h PHE 16 Ca 0.00 0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.66 1j3c h PHE 16 Cb 0.00 0.45 -0.08 0.00 2.79 0.00 0.00 35.95 39.12 1j3c h PHE 16 CO 0.00 -0.37 0.58 0.35 -2.23 0.00 0.00 178.31 176.64 1j3c h PHE 17 N -0.17 1.05 -0.75 0.41 3.57 -1.95 0.41 116.94 119.51 1j3c h PHE 17 Ca 0.22 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 1j3c h PHE 17 Cb 0.54 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1j3c h PHE 17 CO -0.59 0.46 0.38 -0.07 -2.23 0.00 0.00 178.31 176.26 1j3c h LEU 18 N 0.97 0.97 0.10 0.59 3.38 -1.17 0.62 115.31 120.77 1j3c h LEU 18 Ca 0.44 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1j3c h LEU 18 Cb 0.35 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1j3c h LEU 18 CO -0.23 0.81 -0.05 0.15 0.09 0.00 0.00 178.44 179.22 1j3c h PHE 19 N 1.05 -0.12 0.24 1.13 3.57 0.10 -2.90 116.94 120.01 1j3c h PHE 19 Ca 0.26 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.77 1j3c h PHE 19 Cb 0.09 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 1j3c h PHE 19 CO 0.01 0.39 -0.33 0.00 -2.23 0.00 0.00 178.31 176.15 1j3c h SER 21 N -0.63 0.00 0.47 0.00 4.64 -1.01 0.99 113.55 118.01 1j3c h SER 21 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 1j3c h SER 21 Cb 0.61 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 1j3c h SER 21 CO -0.12 0.00 -1.68 -0.33 -0.87 0.00 0.00 176.83 173.84 1j3c h GLU 22 N 0.00 0.08 -0.60 4.77 4.39 -1.02 -3.35 114.58 118.85 1j3c h GLU 22 Ca 0.30 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1j3c h GLU 22 Cb 1.22 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1j3c h GLU 22 CO -0.00 0.74 0.00 0.66 -1.16 0.00 0.00 179.01 179.25 1j3c n TYR 23 N -3.20 1.02 -0.01 4.33 4.02 0.28 -4.32 117.16 119.29 1j3c n TYR 23 Ca -0.18 -0.43 -0.22 0.00 -0.01 0.00 0.00 57.90 57.07 1j3c n TYR 23 Cb 1.04 -0.15 -0.14 0.00 -0.02 0.00 0.00 39.34 40.08 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 3.11 0.23 0.00 -0.72 3.08 -1.00 -3.34 114.38 115.74 1j3c h ARG 24 Ca 0.00 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1j3c h ARG 24 Cb 1.04 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1j3c h ARG 24 CO 0.13 1.19 0.00 -1.00 -1.07 0.00 0.00 179.97 179.22 1j3c h PRO 25 N -0.23 0.00 0.03 0.04 0.13 -1.80 -2.65 132.00 127.52 1j3c h PRO 25 Ca -0.37 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1j3c h PRO 25 Cb 1.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.96 1j3c h PRO 25 CO 0.04 0.00 -0.01 -0.22 -0.23 0.00 0.00 178.00 177.57 1j3c h LYS 26 N 0.00 -0.04 -0.79 0.86 3.11 -1.81 -2.95 116.57 114.95 1j3c h LYS 26 Ca 0.00 0.00 0.19 0.00 -2.81 0.00 0.00 60.65 58.03 1j3c h LYS 26 Cb 0.30 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 31.49 1j3c h LYS 26 CO 0.00 0.55 0.54 0.82 -2.81 0.00 0.00 179.45 178.55 1j3c h ILE 27 N -0.66 0.69 -0.17 2.00 1.08 -1.59 -0.90 117.51 117.97 1j3c h ILE 27 Ca -0.00 -0.08 -0.19 0.00 -0.39 0.00 0.00 64.86 64.20 1j3c h ILE 27 Cb 0.60 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 34.78 1j3c h ILE 27 CO 0.01 0.04 -0.65 0.11 -0.69 0.00 0.00 178.15 176.97 1j3c h LYS 28 N 0.24 0.63 -0.00 2.37 1.79 -1.46 0.92 116.57 121.06 1j3c h LYS 28 Ca 0.39 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1j3c h LYS 28 Cb 1.17 0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.90 1j3c h LYS 28 CO -0.09 1.07 0.01 1.03 -1.08 0.00 0.00 179.45 180.39 1j3c h SER 29 N 0.46 0.00 0.00 0.86 0.87 -0.99 -3.01 113.55 111.74 1j3c h SER 29 Ca -0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1j3c h SER 29 Cb 1.24 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1j3c h SER 29 CO 0.13 0.00 -1.19 -0.62 -0.53 0.00 0.00 176.83 174.61 1j3c n GLU 30 N -3.74 0.72 -3.95 2.24 -0.58 -1.14 -4.90 120.64 109.28 1j3c n GLU 30 Ca -0.03 -0.03 -0.30 0.00 -0.42 0.00 0.00 57.16 56.38 1j3c n GLU 30 Cb 0.09 -1.09 -0.15 0.00 -0.57 0.00 0.00 31.44 29.72 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 -2.24 3.29 0.18 -0.32 3.76 0.32 -4.94 115.29 115.33 1j3c s HIS 31 Ca -0.02 -2.91 0.02 0.00 -0.15 0.00 0.00 55.06 52.01 1j3c s HIS 31 Cb 0.02 -2.72 0.04 0.00 1.11 0.00 0.00 32.58 31.04 1j3c s HIS 31 CO 0.16 -0.87 1.41 -1.00 -0.85 0.00 0.00 174.74 173.59 1j3c h PRO 32 N 7.26 0.24 0.00 8.40 0.13 -1.80 -3.04 132.00 143.18 1j3c h PRO 32 Ca -0.06 -0.24 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1j3c h PRO 32 Cb 0.97 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1j3c h PRO 32 CO 0.56 0.93 0.00 0.41 -0.23 0.00 0.00 178.00 179.68 1j3c n GLY 33 N 0.73 -1.55 3.58 1.56 0.00 -1.26 -4.64 105.19 103.60 1j3c n GLY 33 Ca -0.04 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 1j3c n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j3c s LEU 34 N -3.58 2.55 1.08 0.99 2.01 -1.15 -4.92 118.68 115.67 1j3c s LEU 34 Ca 0.12 -0.98 -0.18 0.00 0.01 0.00 0.00 54.13 53.10 1j3c s LEU 34 Cb 0.16 -2.59 0.24 0.00 0.01 0.00 0.00 46.19 44.01 1j3c s LEU 34 CO 0.54 -4.33 1.22 -0.55 1.01 0.00 0.00 176.35 174.24 1j3c s SER 35 N 8.40 2.02 0.37 2.29 0.15 -1.26 -4.42 113.70 121.24 1j3c s SER 35 Ca 0.80 0.45 0.13 0.00 0.70 0.00 0.00 55.95 58.03 1j3c s SER 35 Cb -0.05 -0.59 0.94 0.00 -1.71 0.00 0.00 66.02 64.60 1j3c s SER 35 CO 0.16 -3.43 1.81 0.40 1.20 0.00 0.00 173.24 173.38 1j3c h ILE 36 N -2.11 0.67 0.06 6.45 1.08 -1.95 0.82 117.51 122.53 1j3c h ILE 36 Ca -0.45 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 63.83 1j3c h ILE 36 Cb 1.26 0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 35.07 1j3c h ILE 36 CO 0.36 0.10 -0.05 1.23 -0.69 0.00 0.00 178.15 179.10 1j3c h GLY 37 N 0.56 -0.68 2.00 5.37 0.00 -1.97 0.17 103.07 108.52 1j3c h GLY 37 Ca 0.53 0.30 -0.06 0.00 0.00 0.00 0.00 47.33 48.10 1j3c h GLY 37 CO -0.28 -0.25 -0.30 -0.55 0.00 0.00 0.00 176.54 175.17 1j3c h ASP 38 N -0.11 0.00 0.35 0.19 5.19 -1.81 -2.48 116.42 117.75 1j3c h ASP 38 Ca -0.01 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.34 1j3c h ASP 38 Cb 0.10 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.60 1j3c h ASP 38 CO -0.00 0.30 -0.30 0.74 -3.12 0.00 0.00 179.24 176.85 1j3c h THR 39 N 0.00 1.14 -0.09 0.35 2.02 0.89 0.15 112.91 117.37 1j3c h THR 39 Ca -0.00 -1.07 -0.11 0.00 0.77 0.00 0.00 66.41 66.00 1j3c h THR 39 Cb 0.54 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1j3c h THR 39 CO 0.04 0.30 -0.37 0.00 0.37 0.00 0.00 175.52 175.86 1j3c h ALA 40 N 1.70 0.16 0.00 6.16 0.00 -0.19 -3.28 119.26 123.81 1j3c h ALA 40 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1j3c h ALA 40 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1j3c h ALA 40 CO 0.04 0.25 -0.26 1.57 0.00 0.00 0.00 179.25 180.85 1j3c h LYS 41 N -0.05 0.00 -0.03 0.00 2.10 -1.44 -3.26 116.57 113.89 1j3c h LYS 41 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1j3c h LYS 41 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1j3c h LYS 41 CO 0.08 0.00 0.00 1.17 -2.00 0.00 0.00 179.45 178.70 1j3c n LYS 42 N -2.64 1.16 -0.07 0.07 3.00 0.50 -3.48 118.16 116.70 1j3c n LYS 42 Ca 0.04 -0.24 -0.06 0.00 -0.00 0.00 0.00 58.31 58.05 1j3c n LYS 42 Cb 0.49 -1.36 -0.11 0.00 0.00 0.00 0.00 35.03 34.05 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 -0.59 0.00 -0.07 3.14 4.77 -1.23 -4.49 117.00 118.53 1j3c n LEU 43 Ca 0.16 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.05 1j3c n LEU 43 Cb 0.13 0.34 0.05 0.00 -2.33 0.00 0.00 43.42 41.61 1j3c n LEU 43 CO 0.13 0.34 0.61 1.23 -1.33 0.00 0.00 177.39 178.36 1j3c h GLY 44 N 2.84 0.83 0.03 -0.72 0.00 -1.69 -2.41 103.07 101.94 1j3c h GLY 44 Ca -0.37 -0.80 0.24 0.00 0.00 0.00 0.00 47.33 46.41 1j3c h GLY 44 CO 0.02 0.72 0.65 -2.09 0.00 0.00 0.00 176.54 175.84 1j3c h GLU 45 N 0.64 0.41 0.15 4.80 4.81 -1.79 -1.11 114.58 122.49 1j3c h GLU 45 Ca 0.06 -0.02 -0.35 0.00 -0.13 0.00 0.00 59.36 58.92 1j3c h GLU 45 Cb 0.88 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 1j3c h GLU 45 CO 0.08 0.27 -1.82 0.52 -0.73 0.00 0.00 179.01 177.32 1j3c h MET 46 N 0.42 0.32 -0.50 1.92 2.86 -1.78 -3.18 114.93 114.98 1j3c h MET 46 Ca 0.55 -0.55 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 1j3c h MET 46 Cb 1.37 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 33.21 1j3c h MET 46 CO -0.25 1.24 0.35 2.35 1.06 0.00 0.00 176.91 181.66 1j3c h TRP 47 N 0.09 0.13 0.05 -0.22 2.91 -0.73 -1.56 115.95 116.62 1j3c h TRP 47 Ca -0.36 0.00 -0.29 0.00 1.13 0.00 0.00 58.89 59.37 1j3c h TRP 47 Cb 2.07 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 30.65 1j3c h TRP 47 CO 0.09 0.06 -1.61 1.03 -1.03 0.00 0.00 178.44 176.97 1j3c h SER 48 N 0.11 0.15 -0.50 2.65 0.87 -1.43 -3.34 113.55 112.07 1j3c h SER 48 Ca 0.24 -0.27 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1j3c h SER 48 Cb 0.80 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.68 1j3c h SER 48 CO -0.03 1.23 0.14 -0.33 -0.53 0.00 0.00 176.83 177.32 1j3c h GLU 49 N 0.03 0.84 -7.09 2.24 4.39 -1.29 -3.43 114.58 110.27 1j3c h GLU 49 Ca -0.26 -0.17 -0.56 0.00 0.34 0.00 0.00 59.36 58.72 1j3c h GLU 49 Cb 1.98 -0.13 0.16 0.00 -0.10 0.00 0.00 28.75 30.66 1j3c h GLU 49 CO 0.11 0.75 0.50 1.04 -1.16 0.00 0.00 179.01 180.25 1j3c n GLN 50 N -4.28 1.15 0.00 2.33 1.13 -0.75 -5.03 117.38 111.93 1j3c n GLN 50 Ca 0.04 0.45 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 1j3c n GLN 50 Cb 0.22 -2.52 0.00 0.00 0.11 0.00 0.00 30.24 28.05 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 -1.78 0.00 -2.84 1.08 3.41 -1.26 -4.91 113.62 107.33 1j3c n SER 51 Ca 0.15 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.47 1j3c n SER 51 Cb 0.48 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.36 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 6.91 0.00 7.33 0.00 -1.26 -3.93 120.51 126.56 1j3c n ALA 52 Ca 0.00 -3.07 0.00 0.00 0.00 0.00 0.00 53.44 50.37 1j3c n ALA 52 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 19.45 16.69 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 2.48 0.00 0.02 0.00 5.02 -1.26 -4.73 118.16 119.70 1j3c n LYS 53 Ca 0.61 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.92 1j3c n LYS 53 Cb 0.48 -0.42 0.36 0.00 -0.02 0.00 0.00 35.03 35.44 1j3c n LYS 53 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1j3c h ASP 54 N 0.00 0.43 -0.57 4.39 3.58 -1.94 -2.15 116.42 120.16 1j3c h ASP 54 Ca 0.00 -0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.29 1j3c h ASP 54 Cb 0.20 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.08 1j3c h ASP 54 CO 0.00 0.44 0.13 1.17 -2.88 0.00 0.00 179.24 178.10 1j3c n LYS 55 N -4.36 3.80 -0.08 0.28 0.00 -1.26 -4.02 118.16 112.51 1j3c n LYS 55 Ca 0.02 -2.65 -0.10 0.00 0.00 0.00 0.00 58.31 55.58 1j3c n LYS 55 Cb 0.18 -2.12 -0.04 0.00 0.00 0.00 0.00 35.03 33.05 1j3c n LYS 55 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1j3c n GLN 56 N 0.20 0.49 0.09 1.64 1.13 -0.81 -3.66 117.38 116.46 1j3c n GLN 56 Ca 0.30 0.47 -0.00 0.00 -1.94 0.00 0.00 57.00 55.83 1j3c n GLN 56 Cb 1.16 -1.65 -0.04 0.00 0.11 0.00 0.00 30.24 29.82 1j3c n GLN 56 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1j3c h PRO 57 N -1.00 0.00 0.00 -1.09 0.13 -1.78 -3.32 132.00 124.93 1j3c h PRO 57 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1j3c h PRO 57 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1j3c h PRO 57 CO -0.07 0.54 -0.30 1.88 -0.23 0.00 0.00 178.00 179.83 1j3c h TYR 58 N 0.00 0.00 0.00 1.56 -1.99 -1.80 -3.31 116.97 111.43 1j3c h TYR 58 Ca -0.06 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.56 1j3c h TYR 58 Cb 1.53 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 40.25 1j3c h TYR 58 CO 0.00 0.00 -0.53 1.05 -0.00 0.00 0.00 178.16 178.68 1j3c h GLU 59 N 0.00 0.00 0.00 4.88 -0.00 -1.66 -3.17 114.58 114.63 1j3c h GLU 59 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 1j3c h GLU 59 Cb 0.93 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.67 1j3c h GLU 59 CO 0.00 0.53 -0.13 -0.56 -0.00 0.00 0.00 179.01 178.85 1j3c h GLN 60 N 0.00 0.00 -0.36 1.06 3.07 -1.72 -3.00 115.11 114.16 1j3c h GLN 60 Ca -0.01 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.68 1j3c h GLN 60 Cb 1.27 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.81 1j3c h GLN 60 CO 0.07 0.13 0.02 -0.22 0.09 0.00 0.00 178.83 178.91 1j3c h LYS 61 N 0.00 0.62 0.00 0.06 3.64 -1.68 -2.64 116.57 116.58 1j3c h LYS 61 Ca -0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1j3c h LYS 61 Cb 1.07 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1j3c h LYS 61 CO 0.02 0.72 0.00 0.00 -2.27 0.00 0.00 179.45 177.92 1j3c h ALA 62 N 0.88 1.00 -0.28 5.00 0.00 -1.68 -3.24 119.26 120.94 1j3c h ALA 62 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1j3c h ALA 62 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1j3c h ALA 62 CO 0.01 0.00 0.13 0.00 0.00 0.00 0.00 179.25 179.39 1j3c h ALA 63 N 2.49 1.70 0.08 0.00 0.00 -1.31 -0.61 119.26 121.60 1j3c h ALA 63 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1j3c h ALA 63 Cb 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1j3c h ALA 63 CO 0.00 0.25 -0.04 0.87 0.00 0.00 0.00 179.25 180.33 1j3c h LYS 64 N 0.39 -0.10 -0.56 0.00 1.79 -1.60 -3.22 116.57 113.27 1j3c h LYS 64 Ca 0.10 0.01 0.16 0.00 -2.18 0.00 0.00 60.65 58.74 1j3c h LYS 64 Cb 0.06 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1j3c h LYS 64 CO -0.01 -0.06 0.62 -0.07 -1.08 0.00 0.00 179.45 178.84 1j3c h LEU 65 N -0.64 0.00 -0.00 2.94 4.07 -1.67 0.10 115.31 120.10 1j3c h LEU 65 Ca -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1j3c h LEU 65 Cb 0.08 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 1j3c h LEU 65 CO 0.02 0.00 -0.00 0.50 -1.08 0.00 0.00 178.44 177.88 1j3c h LYS 66 N 0.00 0.00 -0.06 1.13 1.63 -1.18 0.25 116.57 118.34 1j3c h LYS 66 Ca 0.27 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 60.06 1j3c h LYS 66 Cb 1.50 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.13 1j3c h LYS 66 CO -0.00 0.36 0.03 0.93 -3.45 0.00 0.00 179.45 177.32 1j3c h GLU 67 N -0.35 0.09 0.00 1.90 5.08 -1.00 -0.81 114.58 119.48 1j3c h GLU 67 Ca 0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1j3c h GLU 67 Cb 0.36 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1j3c h GLU 67 CO 0.00 0.16 -0.01 0.87 -1.00 0.00 0.00 179.01 179.02 1j3c h LYS 68 N -0.01 0.00 0.14 2.33 1.57 -1.40 0.17 116.57 119.38 1j3c h LYS 68 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1j3c h LYS 68 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1j3c h LYS 68 CO -0.00 0.01 -0.07 -0.92 -0.57 0.00 0.00 179.45 177.90 1j3c h TYR 69 N 0.00 -0.18 -0.10 -1.35 5.03 -0.15 -1.14 116.97 119.07 1j3c h TYR 69 Ca -0.00 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.34 1j3c h TYR 69 Cb 0.03 0.06 -0.00 0.00 1.55 0.00 0.00 36.73 38.36 1j3c h TYR 69 CO 0.00 -0.11 0.12 0.93 -1.32 0.00 0.00 178.16 177.78 1j3c h GLU 70 N -0.54 0.00 0.00 1.82 5.08 -1.08 0.40 114.58 120.26 1j3c h GLU 70 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1j3c h GLU 70 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1j3c h GLU 70 CO 0.03 0.00 -0.84 1.63 -1.00 0.00 0.00 179.01 178.83 1j3c n LYS 71 N -3.83 0.26 -0.04 2.33 4.76 0.58 -4.08 118.16 118.14 1j3c n LYS 71 Ca -0.00 0.03 -0.04 0.00 -2.87 0.00 0.00 58.31 55.42 1j3c n LYS 71 Cb 0.22 -1.62 -0.07 0.00 -1.84 0.00 0.00 35.03 31.73 1j3c n LYS 71 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1j3c n ASP 72 N -1.97 2.96 -0.05 4.39 2.03 -0.43 -4.54 116.55 118.94 1j3c n ASP 72 Ca 0.03 -0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.28 1j3c n ASP 72 Cb 0.43 0.69 0.15 0.00 -0.72 0.00 0.00 41.12 41.67 1j3c n ASP 72 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1j3c h ILE 73 N 0.00 1.26 -0.07 5.18 6.09 -0.44 -0.78 117.51 128.76 1j3c h ILE 73 Ca -0.22 -1.23 0.01 0.00 -1.37 0.00 0.00 64.86 62.05 1j3c h ILE 73 Cb 1.51 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 39.98 1j3c h ILE 73 CO 0.01 0.41 -0.00 0.00 -3.07 0.00 0.00 178.15 175.50 1j3c h ALA 74 N 1.21 0.05 0.00 0.18 0.00 -1.76 -0.66 119.26 118.29 1j3c h ALA 74 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1j3c h ALA 74 Cb 0.64 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1j3c h ALA 74 CO 0.05 -0.48 0.00 0.00 0.00 0.00 0.00 179.25 178.82 1j3c h ALA 75 N 1.06 1.00 0.05 0.00 0.00 -1.78 -3.14 119.26 116.45 1j3c h ALA 75 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.70 1j3c h ALA 75 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1j3c h ALA 75 CO -0.05 0.00 -1.05 -0.92 0.00 0.00 0.00 179.25 177.22 1j3c h TYR 76 N 0.00 0.51 -0.12 0.00 3.20 -0.29 -3.16 116.97 117.11 1j3c h TYR 76 Ca 0.00 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1j3c h TYR 76 Cb 0.69 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.92 1j3c h TYR 76 CO 0.00 1.18 0.00 0.54 -1.64 0.00 0.00 178.16 178.24 1j3c n ARG 77 N -3.64 1.36 -2.96 1.82 1.74 -0.33 -4.97 116.66 109.67 1j3c n ARG 77 Ca -0.07 -0.56 -0.03 0.00 -0.77 0.00 0.00 57.85 56.42 1j3c n ARG 77 Cb 0.91 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 31.11 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 -0.15 -2.81 -0.33 7.54 0.00 -1.19 -5.10 120.51 118.47 1j3c n ALA 78 Ca 0.11 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1j3c n ALA 78 Cb 0.17 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1j3c n ALA 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67