#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3c n LYS 2 N 0.00 -1.70 -2.70 2.12 4.01 -1.26 -4.95 118.16 113.69 1j3c n LYS 2 Ca 0.00 0.56 -0.06 0.00 -0.51 0.00 0.00 58.31 58.31 1j3c n LYS 2 Cb 0.00 -4.60 0.07 0.00 -0.51 0.00 0.00 35.03 29.99 1j3c n LYS 2 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1j3c n LYS 3 N -3.96 0.39 0.00 1.97 4.81 -1.26 -5.00 118.16 115.11 1j3c n LYS 3 Ca -0.10 -1.10 0.00 0.00 -0.87 0.00 0.00 58.31 56.24 1j3c n LYS 3 Cb 0.60 -0.65 0.00 0.00 0.02 0.00 0.00 35.03 35.01 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 1.34 0.00 -4.42 1.64 5.02 -1.26 -4.88 118.16 115.60 1j3c n LYS 4 Ca 0.03 0.16 -0.24 0.00 -2.02 0.00 0.00 58.31 56.24 1j3c n LYS 4 Cb 0.69 -1.15 -0.11 0.00 -0.02 0.00 0.00 35.03 34.44 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 -2.01 3.30 0.30 4.39 1.01 -1.26 -5.02 116.67 117.38 1j3c s ASP 5 Ca 0.00 -0.95 0.26 0.00 0.71 0.00 0.00 52.55 52.57 1j3c s ASP 5 Cb 0.00 -0.25 0.95 0.00 1.01 0.00 0.00 42.92 44.63 1j3c s ASP 5 CO 0.00 0.03 1.76 1.55 0.21 0.00 0.00 175.17 178.73 1j3c h PRO 6 N 2.76 0.00 0.00 8.23 0.13 -2.03 -3.23 132.00 137.86 1j3c h PRO 6 Ca -0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.68 1j3c h PRO 6 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1j3c h PRO 6 CO 0.55 0.00 -1.35 0.09 -0.23 0.00 0.00 178.00 177.06 1j3c n ASN 7 N -2.42 3.39 -4.83 1.44 4.13 -1.26 -5.00 115.26 110.71 1j3c n ASN 7 Ca 0.03 0.00 -0.37 0.00 1.68 0.00 0.00 54.58 55.92 1j3c n ASN 7 Cb 0.32 1.17 -0.06 0.00 -1.54 0.00 0.00 39.78 39.67 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1j3c s ALA 8 N -2.41 3.59 -0.03 5.41 0.00 -1.22 -5.03 121.76 122.06 1j3c s ALA 8 Ca -0.03 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 1j3c s ALA 8 Cb 0.04 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 1j3c s ALA 8 CO 0.29 0.43 1.22 -1.25 0.00 0.00 0.00 175.76 176.44 1j3c s PRO 9 N -1.44 4.36 0.00 0.00 0.04 -1.26 -4.27 135.00 132.42 1j3c s PRO 9 Ca 0.32 1.72 -0.00 0.00 0.04 0.00 0.00 61.00 63.08 1j3c s PRO 9 Cb -0.17 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.85 1j3c s PRO 9 CO 0.19 -0.42 0.00 0.36 0.04 0.00 0.00 177.00 177.17 1j3c n LYS 10 N 4.96 -1.40 -2.15 4.56 0.00 -1.26 -4.89 118.16 117.98 1j3c n LYS 10 Ca 0.11 -0.00 -0.38 0.00 -0.00 0.00 0.00 58.31 58.04 1j3c n LYS 10 Cb 0.46 -0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.49 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 -2.55 3.71 0.03 -1.58 3.00 -1.26 -4.97 118.95 115.34 1j3c s ARG 11 Ca 0.00 1.91 -0.30 0.00 0.00 0.00 0.00 55.73 57.34 1j3c s ARG 11 Cb -0.00 -2.46 -0.05 0.00 0.00 0.00 0.00 34.95 32.45 1j3c s ARG 11 CO 0.00 -0.63 1.12 -1.25 0.00 0.00 0.00 175.30 174.55 1j3c s PRO 12 N -2.62 4.47 0.35 3.54 0.04 -1.26 -5.04 135.00 134.48 1j3c s PRO 12 Ca 0.63 1.64 -0.05 0.00 0.04 0.00 0.00 61.00 63.26 1j3c s PRO 12 Cb -0.32 -3.40 0.08 0.00 0.04 0.00 0.00 34.50 30.90 1j3c s PRO 12 CO 0.39 -0.20 0.48 -0.35 0.04 0.00 0.00 177.00 177.36 1j3c n PRO 13 N 4.01 -0.37 -2.72 0.56 -0.04 -1.26 -5.07 135.00 130.11 1j3c n PRO 13 Ca 0.08 -0.80 -0.08 0.00 -0.04 0.00 0.00 63.50 62.65 1j3c n PRO 13 Cb 0.48 -0.47 0.09 0.00 -0.04 0.00 0.00 33.50 33.56 1j3c n PRO 13 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1j3c n SER 14 N -3.27 -2.22 0.00 3.54 3.41 -1.26 -4.79 113.62 109.03 1j3c n SER 14 Ca 0.06 -3.48 0.00 0.00 -0.26 0.00 0.00 58.87 55.19 1j3c n SER 14 Cb 0.22 1.83 0.00 0.00 -0.26 0.00 0.00 64.21 66.00 1j3c n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3c n ALA 15 N 0.34 0.00 -0.21 7.33 0.00 -1.25 -4.12 120.51 122.59 1j3c n ALA 15 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.48 1j3c n ALA 15 Cb 0.71 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.31 -0.68 0.00 3.04 -1.97 0.24 116.94 117.26 1j3c h PHE 16 Ca 0.00 0.05 0.05 0.00 3.98 0.00 0.00 57.97 62.06 1j3c h PHE 16 Cb 0.00 0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.70 1j3c h PHE 16 CO 0.00 -0.26 0.45 0.35 -2.02 0.00 0.00 178.31 176.83 1j3c h PHE 17 N 0.01 0.73 -0.22 0.41 3.04 -1.95 0.86 116.94 119.82 1j3c h PHE 17 Ca 0.30 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 62.11 1j3c h PHE 17 Cb 0.46 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 1j3c h PHE 17 CO -0.50 0.40 -0.52 -0.07 -2.02 0.00 0.00 178.31 175.61 1j3c h LEU 18 N 0.74 0.68 0.08 0.59 3.38 -0.91 -2.02 115.31 117.85 1j3c h LEU 18 Ca 0.29 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1j3c h LEU 18 Cb 0.20 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1j3c h LEU 18 CO -0.09 1.08 -0.04 0.15 0.09 0.00 0.00 178.44 179.63 1j3c h PHE 19 N 0.48 -0.10 0.06 1.13 3.04 -0.18 -3.03 116.94 118.35 1j3c h PHE 19 Ca 0.02 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.97 1j3c h PHE 19 Cb 1.07 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.60 1j3c h PHE 19 CO 0.05 0.40 -0.11 0.00 -2.02 0.00 0.00 178.31 176.63 1j3c h SER 21 N -0.22 0.00 0.00 0.00 4.64 -1.51 -2.23 113.55 114.23 1j3c h SER 21 Ca 0.02 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.18 1j3c h SER 21 Cb 0.23 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.29 1j3c h SER 21 CO -0.06 0.00 -2.04 -0.62 -0.87 0.00 0.00 176.83 173.24 1j3c n GLU 22 N -3.45 0.85 -0.34 4.77 -0.58 -0.62 -4.39 120.64 116.89 1j3c n GLU 22 Ca -0.01 -0.09 0.07 0.00 -0.42 0.00 0.00 57.16 56.71 1j3c n GLU 22 Cb 0.21 -1.45 0.23 0.00 -0.57 0.00 0.00 31.44 29.86 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 -2.41 0.84 -0.02 -0.32 4.02 0.30 -4.29 117.16 115.29 1j3c n TYR 23 Ca -0.16 -0.37 -0.21 0.00 -0.01 0.00 0.00 57.90 57.16 1j3c n TYR 23 Cb 0.78 -0.10 -0.13 0.00 -0.02 0.00 0.00 39.34 39.87 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 2.80 0.18 0.00 -0.72 3.08 -1.65 -3.32 114.38 114.75 1j3c h ARG 24 Ca 0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1j3c h ARG 24 Cb 0.87 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.04 1j3c h ARG 24 CO 0.09 1.15 0.00 -1.00 -1.07 0.00 0.00 179.97 179.14 1j3c h PRO 25 N -0.48 0.00 0.06 0.04 0.13 -1.86 -2.52 132.00 127.36 1j3c h PRO 25 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1j3c h PRO 25 Cb 1.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.74 1j3c h PRO 25 CO 0.01 0.00 -0.03 -0.22 -0.23 0.00 0.00 178.00 177.54 1j3c h LYS 26 N 0.00 -0.07 -0.84 0.86 3.11 -1.80 -2.91 116.57 114.92 1j3c h LYS 26 Ca 0.00 0.00 0.19 0.00 -2.81 0.00 0.00 60.65 58.04 1j3c h LYS 26 Cb 0.22 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.42 1j3c h LYS 26 CO 0.00 0.51 0.57 0.82 -2.81 0.00 0.00 179.45 178.54 1j3c h ILE 27 N -0.74 0.69 -0.18 2.00 1.08 -1.55 -0.92 117.51 117.89 1j3c h ILE 27 Ca -0.01 -0.11 -0.18 0.00 -0.39 0.00 0.00 64.86 64.17 1j3c h ILE 27 Cb 0.62 0.34 -0.00 0.00 -3.07 0.00 0.00 36.82 34.71 1j3c h ILE 27 CO 0.01 0.06 -0.64 0.11 -0.69 0.00 0.00 178.15 177.00 1j3c h LYS 28 N 0.32 0.64 -0.05 2.37 1.79 -1.49 0.95 116.57 121.11 1j3c h LYS 28 Ca 0.42 -0.45 0.01 0.00 -2.18 0.00 0.00 60.65 58.46 1j3c h LYS 28 Cb 1.16 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.88 1j3c h LYS 28 CO -0.13 1.07 0.05 1.03 -1.08 0.00 0.00 179.45 180.40 1j3c h SER 29 N 0.47 0.00 0.00 0.86 0.87 -0.96 -3.05 113.55 111.74 1j3c h SER 29 Ca -0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 1j3c h SER 29 Cb 1.22 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1j3c h SER 29 CO 0.12 0.00 -1.18 -0.62 -0.53 0.00 0.00 176.83 174.62 1j3c n GLU 30 N -3.85 1.24 -3.98 2.24 -0.58 -1.15 -4.90 120.64 109.65 1j3c n GLU 30 Ca -0.02 -0.02 -0.31 0.00 -0.42 0.00 0.00 57.16 56.39 1j3c n GLU 30 Cb 0.15 -1.08 -0.15 0.00 -0.57 0.00 0.00 31.44 29.79 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 -2.19 3.45 0.18 -0.32 3.76 0.33 -4.94 115.29 115.56 1j3c s HIS 31 Ca -0.01 -3.01 0.03 0.00 -0.15 0.00 0.00 55.06 51.92 1j3c s HIS 31 Cb 0.02 -2.82 0.04 0.00 1.11 0.00 0.00 32.58 30.93 1j3c s HIS 31 CO 0.14 -0.87 1.41 -1.00 -0.85 0.00 0.00 174.74 173.57 1j3c h PRO 32 N 7.22 0.19 0.00 8.40 0.13 -1.80 -3.08 132.00 143.07 1j3c h PRO 32 Ca -0.06 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1j3c h PRO 32 Cb 0.97 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1j3c h PRO 32 CO 0.58 0.91 -0.03 0.41 -0.23 0.00 0.00 178.00 179.64 1j3c n GLY 33 N 0.76 -1.64 3.57 1.56 0.00 -1.26 -4.67 105.19 103.51 1j3c n GLY 33 Ca -0.03 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.09 2.52 0.93 0.99 2.01 -1.16 -4.92 118.68 114.96 1j3c s LEU 34 Ca 0.11 -0.70 -0.13 0.00 0.01 0.00 0.00 54.13 53.42 1j3c s LEU 34 Cb 0.14 -2.58 0.15 0.00 0.01 0.00 0.00 46.19 43.91 1j3c s LEU 34 CO 0.58 -4.47 1.14 -0.94 1.01 0.00 0.00 176.35 173.68 1j3c s SER 35 N 9.13 3.34 0.57 2.29 1.04 -1.26 -4.54 113.70 124.26 1j3c s SER 35 Ca 0.84 0.93 0.29 0.00 0.48 0.00 0.00 55.95 58.49 1j3c s SER 35 Cb -0.07 -1.48 1.47 0.00 0.10 0.00 0.00 66.02 66.04 1j3c s SER 35 CO 0.15 -2.65 1.92 0.40 0.98 0.00 0.00 173.24 174.04 1j3c h ILE 36 N -1.57 0.48 0.00 -1.02 1.08 -1.96 0.53 117.51 115.06 1j3c h ILE 36 Ca -0.50 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 1j3c h ILE 36 Cb 1.33 0.63 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1j3c h ILE 36 CO 0.60 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.67 1j3c n GLY 37 N -1.58 -2.34 0.24 5.37 0.00 -1.26 -0.06 105.19 105.56 1j3c n GLY 37 Ca 0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 1j3c n GLY 37 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1j3c h ASP 38 N 0.00 0.00 -0.08 1.61 3.58 -1.84 -3.04 116.42 116.65 1j3c h ASP 38 Ca 0.00 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 1j3c h ASP 38 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1j3c h ASP 38 CO 0.00 0.18 -0.18 0.74 -2.88 0.00 0.00 179.24 177.11 1j3c h THR 39 N 0.00 1.41 -0.89 2.25 2.02 0.08 -0.79 112.91 116.98 1j3c h THR 39 Ca -0.00 -1.49 0.15 0.00 0.77 0.00 0.00 66.41 65.84 1j3c h THR 39 Cb 0.51 2.18 -0.09 0.00 -1.74 0.00 0.00 68.15 69.01 1j3c h THR 39 CO 0.02 0.42 0.49 0.00 0.37 0.00 0.00 175.52 176.83 1j3c h ALA 40 N 0.49 1.37 0.00 6.16 0.00 -0.36 0.12 119.26 127.04 1j3c h ALA 40 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1j3c h ALA 40 Cb 0.77 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1j3c h ALA 40 CO 0.04 -0.03 -0.31 0.36 0.00 0.00 0.00 179.25 179.31 1j3c n LYS 41 N -4.81 0.01 0.11 0.00 2.85 -1.20 -3.92 118.16 111.20 1j3c n LYS 41 Ca 0.18 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.38 1j3c n LYS 41 Cb 0.44 -1.51 -0.03 0.00 -0.65 0.00 0.00 35.03 33.28 1j3c n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1j3c h LYS 42 N 0.00 -0.36 -0.50 -1.58 1.63 0.77 -3.25 116.57 113.28 1j3c h LYS 42 Ca 0.00 0.02 0.15 0.00 -0.85 0.00 0.00 60.65 59.97 1j3c h LYS 42 Cb 0.51 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1j3c h LYS 42 CO 0.00 -0.20 0.43 -0.07 -3.45 0.00 0.00 179.45 176.16 1j3c h LEU 43 N -1.09 0.00 -0.45 5.20 3.38 -1.65 -0.98 115.31 119.72 1j3c h LEU 43 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1j3c h LEU 43 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1j3c h LEU 43 CO 0.06 0.00 0.29 1.23 0.09 0.00 0.00 178.44 180.11 1j3c h GLY 44 N 0.00 0.64 0.90 0.83 0.00 -1.67 -1.25 103.07 102.52 1j3c h GLY 44 Ca 0.24 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1j3c h GLY 44 CO -0.00 0.24 0.05 -2.09 0.00 0.00 0.00 176.54 174.74 1j3c h GLU 45 N 0.61 0.14 0.00 4.80 4.81 -1.24 -1.30 114.58 122.40 1j3c h GLU 45 Ca 0.16 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1j3c h GLU 45 Cb -0.05 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1j3c h GLU 45 CO -0.03 0.21 -0.00 0.52 -0.73 0.00 0.00 179.01 178.97 1j3c h MET 46 N 0.03 0.00 0.03 1.92 2.86 -1.43 0.13 114.93 118.47 1j3c h MET 46 Ca 0.03 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 1j3c h MET 46 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1j3c h MET 46 CO -0.00 0.00 -0.16 2.35 1.06 0.00 0.00 176.91 180.16 1j3c h TRP 47 N 0.00 0.11 0.00 -0.22 2.91 -0.56 -3.03 115.95 115.16 1j3c h TRP 47 Ca -0.00 -0.08 -0.06 0.00 1.13 0.00 0.00 58.89 59.89 1j3c h TRP 47 Cb 0.01 -0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.65 1j3c h TRP 47 CO 0.00 1.05 -0.27 1.03 -1.03 0.00 0.00 178.44 179.22 1j3c h SER 48 N -0.86 0.00 -0.26 2.65 0.87 -0.84 -2.91 113.55 112.20 1j3c h SER 48 Ca -0.03 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 1j3c h SER 48 Cb 1.11 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1j3c h SER 48 CO 0.03 0.27 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.15 1j3c h GLU 49 N 0.00 0.53 -7.00 2.24 4.39 -0.83 -3.44 114.58 110.47 1j3c h GLU 49 Ca -0.00 -0.23 -0.55 0.00 0.34 0.00 0.00 59.36 58.92 1j3c h GLU 49 Cb 0.59 -0.02 0.18 0.00 -0.10 0.00 0.00 28.75 29.40 1j3c h GLU 49 CO 0.03 0.78 0.17 1.04 -1.16 0.00 0.00 179.01 179.87 1j3c n GLN 50 N -4.48 0.51 0.00 2.33 1.13 -1.10 -5.03 117.38 110.74 1j3c n GLN 50 Ca -0.04 0.23 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1j3c n GLN 50 Cb 0.35 -2.28 0.00 0.00 0.11 0.00 0.00 30.24 28.42 1j3c n GLN 50 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1j3c n SER 51 N -1.91 0.00 -2.34 1.08 2.88 -1.26 -4.94 113.62 107.12 1j3c n SER 51 Ca 0.13 0.00 -0.23 0.00 -1.33 0.00 0.00 58.87 57.44 1j3c n SER 51 Cb 0.49 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.87 1j3c n SER 51 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1j3c n ALA 52 N -3.00 6.37 0.00 -1.46 0.00 -1.26 -4.14 120.51 117.03 1j3c n ALA 52 Ca 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.75 1j3c n ALA 52 Cb 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.30 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 1.25 0.00 0.22 0.00 5.02 -1.26 -4.57 118.16 118.81 1j3c n LYS 53 Ca 0.46 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.82 1j3c n LYS 53 Cb 0.64 -0.36 0.49 0.00 -0.02 0.00 0.00 35.03 35.79 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 0.00 0.48 4.39 1.82 -1.96 -3.02 116.42 118.13 1j3c h ASP 54 Ca 0.00 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.34 1j3c h ASP 54 Cb 0.63 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.65 1j3c h ASP 54 CO 0.00 0.27 -1.40 0.50 -1.61 0.00 0.00 179.24 177.00 1j3c h LYS 55 N 0.00 0.33 -0.75 0.28 3.64 -1.87 -3.19 116.57 115.02 1j3c h LYS 55 Ca -0.00 -0.57 0.13 0.00 -1.27 0.00 0.00 60.65 58.94 1j3c h LYS 55 Cb 0.56 0.21 -0.14 0.00 -0.41 0.00 0.00 32.23 32.46 1j3c h LYS 55 CO 0.03 1.25 -0.31 1.96 -2.27 0.00 0.00 179.45 180.11 1j3c h GLN 56 N 0.09 -0.07 0.12 1.90 4.20 -1.77 1.08 115.11 120.66 1j3c h GLN 56 Ca -0.20 0.01 -0.28 0.00 0.06 0.00 0.00 58.65 58.23 1j3c h GLN 56 Cb 2.04 0.02 0.02 0.00 0.30 0.00 0.00 27.48 29.85 1j3c h GLN 56 CO 0.21 -0.05 -1.22 -1.00 -0.67 0.00 0.00 178.83 176.10 1j3c h PRO 57 N -0.08 0.44 -0.03 1.46 0.13 -1.72 -3.28 132.00 128.92 1j3c h PRO 57 Ca 0.30 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1j3c h PRO 57 Cb 0.57 0.22 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1j3c h PRO 57 CO -0.80 1.27 0.00 0.98 -0.23 0.00 0.00 178.00 179.22 1j3c n TYR 58 N -3.68 0.03 -0.02 1.56 9.36 -0.65 -3.73 117.16 120.04 1j3c n TYR 58 Ca -0.11 -0.02 0.03 0.00 3.32 0.00 0.00 57.90 61.13 1j3c n TYR 58 Cb 0.99 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 39.56 1j3c n TYR 58 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1j3c n GLU 59 N -0.39 0.66 0.19 2.98 -0.00 0.37 -3.97 120.64 120.47 1j3c n GLU 59 Ca 0.19 -0.05 0.08 0.00 -0.00 0.00 0.00 57.16 57.39 1j3c n GLU 59 Cb 0.21 -1.59 0.20 0.00 -0.00 0.00 0.00 31.44 30.26 1j3c n GLU 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.13 176.57 1j3c h GLN 60 N 0.00 0.00 -0.64 3.44 3.07 -1.67 -3.26 115.11 116.05 1j3c h GLN 60 Ca -0.19 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.54 1j3c h GLN 60 Cb 1.46 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.99 1j3c h GLN 60 CO 0.02 0.23 0.36 -0.22 0.09 0.00 0.00 178.83 179.31 1j3c h LYS 61 N 0.00 0.88 0.00 0.06 3.64 -1.73 -1.29 116.57 118.13 1j3c h LYS 61 Ca -0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1j3c h LYS 61 Cb 1.07 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1j3c h LYS 61 CO 0.03 0.65 0.00 0.00 -2.27 0.00 0.00 179.45 177.86 1j3c n ALA 62 N -2.31 1.94 1.57 5.00 0.00 -1.23 -2.56 120.51 122.92 1j3c n ALA 62 Ca 0.05 -0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1j3c n ALA 62 Cb 0.08 -1.35 0.51 0.00 0.00 0.00 0.00 19.45 18.69 1j3c n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3c n ALA 63 N -1.55 2.57 -0.08 0.00 0.00 -0.49 -3.73 120.51 117.24 1j3c n ALA 63 Ca 0.05 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.04 1j3c n ALA 63 Cb 0.25 -1.21 -0.11 0.00 0.00 0.00 0.00 19.45 18.39 1j3c n ALA 63 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1j3c n LYS 64 N -0.15 1.44 -0.01 0.00 4.76 -1.06 -4.36 118.16 118.79 1j3c n LYS 64 Ca 0.17 0.01 0.13 0.00 -2.87 0.00 0.00 58.31 55.75 1j3c n LYS 64 Cb 0.24 -1.37 0.71 0.00 -1.84 0.00 0.00 35.03 32.76 1j3c n LYS 64 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j3c n LEU 65 N -2.62 0.38 -0.01 -0.35 4.32 -1.24 -3.42 117.00 114.05 1j3c n LEU 65 Ca -0.25 -0.14 -0.06 0.00 -0.02 0.00 0.00 56.01 55.54 1j3c n LEU 65 Cb 0.95 -0.01 -0.12 0.00 -1.62 0.00 0.00 43.42 42.62 1j3c n LEU 65 CO 0.29 0.07 -0.53 1.17 -1.22 0.00 0.00 177.39 177.17 1j3c n LYS 66 N -0.64 0.63 0.01 3.23 4.81 -1.25 -2.64 118.16 122.33 1j3c n LYS 66 Ca 0.19 0.23 0.13 0.00 -0.87 0.00 0.00 58.31 57.99 1j3c n LYS 66 Cb 0.15 -1.76 0.33 0.00 0.02 0.00 0.00 35.03 33.77 1j3c n LYS 66 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1j3c n GLU 67 N -2.95 0.05 -0.09 1.64 1.02 -1.22 -3.02 120.64 116.07 1j3c n GLU 67 Ca -0.16 0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 56.89 1j3c n GLU 67 Cb 0.99 -1.54 -0.12 0.00 -0.02 0.00 0.00 31.44 30.75 1j3c n GLU 67 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1j3c n LYS 68 N -1.62 0.98 0.03 3.49 4.76 -1.25 -3.91 118.16 120.65 1j3c n LYS 68 Ca 0.06 0.05 -0.11 0.00 -2.87 0.00 0.00 58.31 55.43 1j3c n LYS 68 Cb 0.35 -1.42 -0.08 0.00 -1.84 0.00 0.00 35.03 32.04 1j3c n LYS 68 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 1j3c h TYR 69 N 0.00 -0.15 0.00 2.13 5.03 -1.64 0.23 116.97 122.57 1j3c h TYR 69 Ca -0.46 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.85 1j3c h TYR 69 Cb 1.90 0.05 0.00 0.00 1.55 0.00 0.00 36.73 40.23 1j3c h TYR 69 CO 0.01 0.33 0.00 0.39 -1.32 0.00 0.00 178.16 177.57 1j3c n GLU 70 N -4.87 0.09 -0.07 1.82 1.02 -1.17 -1.09 120.64 116.36 1j3c n GLU 70 Ca -0.08 0.37 -0.08 0.00 -0.02 0.00 0.00 57.16 57.36 1j3c n GLU 70 Cb 0.27 -1.69 -0.11 0.00 -0.02 0.00 0.00 31.44 29.90 1j3c n GLU 70 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1j3c n LYS 71 N -1.87 1.45 -0.02 3.49 0.00 -1.21 -4.58 118.16 115.43 1j3c n LYS 71 Ca 0.02 0.01 -0.16 0.00 0.00 0.00 0.00 58.31 58.19 1j3c n LYS 71 Cb 0.17 -1.37 -0.14 0.00 0.00 0.00 0.00 35.03 33.69 1j3c n LYS 71 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1j3c n ASP 72 N -2.62 1.53 -0.33 3.14 2.03 0.80 -4.22 116.55 116.89 1j3c n ASP 72 Ca -0.25 0.26 0.10 0.00 0.52 0.00 0.00 54.79 55.43 1j3c n ASP 72 Cb 0.95 -0.44 0.31 0.00 -0.72 0.00 0.00 41.12 41.21 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 0.04 0.84 0.12 5.18 6.09 -1.25 -1.40 117.51 127.13 1j3c h ILE 73 Ca -0.38 -0.28 0.01 0.00 -1.37 0.00 0.00 64.86 62.83 1j3c h ILE 73 Cb 2.03 -0.06 -0.03 0.00 0.47 0.00 0.00 36.82 39.23 1j3c h ILE 73 CO 0.07 0.15 -0.20 0.00 -3.07 0.00 0.00 178.15 175.10 1j3c h ALA 74 N 1.58 -0.35 -0.19 0.18 0.00 -1.78 -1.16 119.26 117.55 1j3c h ALA 74 Ca 0.50 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1j3c h ALA 74 Cb 0.67 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1j3c h ALA 74 CO -0.27 -0.73 -0.07 0.00 0.00 0.00 0.00 179.25 178.18 1j3c h ALA 75 N 0.41 1.53 -0.70 0.00 0.00 -1.61 0.25 119.26 119.15 1j3c h ALA 75 Ca 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1j3c h ALA 75 Cb 0.40 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1j3c h ALA 75 CO -0.11 0.34 0.34 -0.92 0.00 0.00 0.00 179.25 178.90 1j3c h TYR 76 N 0.28 0.99 0.00 0.00 3.20 -0.42 -3.38 116.97 117.65 1j3c h TYR 76 Ca 0.06 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1j3c h TYR 76 Cb 0.31 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1j3c h TYR 76 CO 0.01 0.73 0.00 0.54 -1.64 0.00 0.00 178.16 177.80 1j3c n ARG 77 N -4.45 0.00 -2.38 1.82 1.74 -0.52 -4.97 116.66 107.90 1j3c n ARG 77 Ca 0.06 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.11 1j3c n ARG 77 Cb 0.12 -0.40 0.07 0.00 -1.02 0.00 0.00 32.46 31.23 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 -0.80 0.25 -0.37 7.54 0.00 -0.77 -5.10 120.51 121.26 1j3c n ALA 78 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1j3c n ALA 78 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13