#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 0.30 0.00 2.12 4.01 -1.26 -5.11 118.16 118.22 1j3c n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1j3c n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 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 0.00 0.00 -4.19 1.97 4.81 -1.26 -4.96 118.16 114.54 1j3c n LYS 3 Ca 0.00 0.00 -0.15 0.00 -0.87 0.00 0.00 58.31 57.29 1j3c n LYS 3 Cb 0.00 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.97 1j3c n LYS 3 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 1j3c s LYS 4 N 0.00 1.55 0.19 1.64 0.00 -1.26 -5.03 119.74 116.82 1j3c s LYS 4 Ca 0.00 -1.74 0.03 0.00 0.00 0.00 0.00 55.97 54.26 1j3c s LYS 4 Cb 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 37.83 38.14 1j3c s LYS 4 CO 0.00 -0.57 0.32 0.34 0.00 0.00 0.00 175.35 175.44 1j3c s ASP 5 N -3.23 6.34 0.52 0.03 2.15 -1.24 -5.00 116.67 116.24 1j3c s ASP 5 Ca 0.36 0.16 0.31 0.00 0.43 0.00 0.00 52.55 53.81 1j3c s ASP 5 Cb 0.03 -1.90 1.20 0.00 -0.30 0.00 0.00 42.92 41.95 1j3c s ASP 5 CO 0.18 -0.00 1.93 1.55 -0.17 0.00 0.00 175.17 178.66 1j3c h PRO 6 N 1.78 0.00 0.00 4.34 0.13 -2.04 -3.09 132.00 133.13 1j3c h PRO 6 Ca -0.50 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.37 1j3c h PRO 6 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1j3c h PRO 6 CO 0.66 0.06 -2.04 0.09 -0.23 0.00 0.00 178.00 176.54 1j3c n ASN 7 N -3.17 0.31 -4.24 1.44 4.13 -1.26 -4.76 115.26 107.70 1j3c n ASN 7 Ca 0.01 0.14 -0.41 0.00 1.68 0.00 0.00 54.58 55.99 1j3c n ASN 7 Cb 0.35 0.80 -0.08 0.00 -1.54 0.00 0.00 39.78 39.31 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 -2.73 3.41 -1.02 5.41 0.00 -1.17 -5.01 121.76 120.64 1j3c s ALA 8 Ca -0.07 -2.46 -0.23 0.00 0.00 0.00 0.00 51.96 49.20 1j3c s ALA 8 Cb 0.08 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1j3c s ALA 8 CO 0.84 -1.87 1.86 -1.25 0.00 0.00 0.00 175.76 175.34 1j3c s PRO 9 N 1.41 2.78 0.00 0.00 0.04 -1.26 -3.63 135.00 134.33 1j3c s PRO 9 Ca 0.05 -0.76 0.00 0.00 0.04 0.00 0.00 61.00 60.33 1j3c s PRO 9 Cb -0.26 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.09 1j3c s PRO 9 CO 0.00 -3.31 0.00 1.17 0.04 0.00 0.00 177.00 174.91 1j3c n LYS 10 N 8.67 1.56 -1.79 4.56 3.00 -1.26 -4.84 118.16 128.06 1j3c n LYS 10 Ca 0.41 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 58.30 1j3c n LYS 10 Cb 0.47 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.48 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 0.00 4.14 0.21 1.64 3.00 -1.26 -4.95 118.95 121.72 1j3c s ARG 11 Ca 0.00 2.55 -0.30 0.00 0.00 0.00 0.00 55.73 57.99 1j3c s ARG 11 Cb 0.00 -3.04 -0.08 0.00 0.00 0.00 0.00 34.95 31.82 1j3c s ARG 11 CO 0.00 -0.64 1.04 -1.25 0.00 0.00 0.00 175.30 174.46 1j3c s PRO 12 N -0.10 4.68 0.00 3.54 0.04 -1.26 -5.05 135.00 136.85 1j3c s PRO 12 Ca 0.65 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1j3c s PRO 12 Cb -0.48 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1j3c s PRO 12 CO 0.44 0.23 0.00 -0.35 0.04 0.00 0.00 177.00 177.36 1j3c n PRO 13 N 1.91 -0.01 -2.72 0.56 -0.04 -1.26 -5.07 135.00 128.36 1j3c n PRO 13 Ca 0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 1j3c n PRO 13 Cb 0.46 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.00 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 -2.82 -2.32 0.00 3.54 3.41 -1.26 -4.79 113.62 109.37 1j3c n SER 14 Ca 0.00 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.36 1j3c n SER 14 Cb 0.00 1.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.69 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 0.84 0.00 -0.22 7.33 0.00 -1.26 -4.08 120.51 123.13 1j3c n ALA 15 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.51 1j3c n ALA 15 Cb 0.69 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.07 -0.42 0.00 3.04 -1.97 0.31 116.94 117.84 1j3c h PHE 16 Ca 0.00 0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.01 1j3c h PHE 16 Cb 0.00 0.13 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 1j3c h PHE 16 CO 0.00 -0.19 0.28 0.35 -2.02 0.00 0.00 178.31 176.72 1j3c h PHE 17 N 0.10 0.50 -0.07 0.41 3.57 -1.95 -0.32 116.94 119.18 1j3c h PHE 17 Ca 0.34 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.70 1j3c h PHE 17 Cb 0.57 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1j3c h PHE 17 CO -0.39 0.31 -0.63 -0.07 -2.23 0.00 0.00 178.31 175.30 1j3c h LEU 18 N 0.54 0.30 0.08 0.59 3.38 -0.78 -2.36 115.31 117.06 1j3c h LEU 18 Ca 0.16 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1j3c h LEU 18 Cb -0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1j3c h LEU 18 CO -0.04 0.85 -0.04 0.15 0.09 0.00 0.00 178.44 179.45 1j3c h PHE 19 N 0.19 -0.11 -0.17 1.13 3.04 0.24 -3.06 116.94 118.21 1j3c h PHE 19 Ca -0.01 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1j3c h PHE 19 Cb 1.15 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 1j3c h PHE 19 CO 0.02 0.43 0.07 0.00 -2.02 0.00 0.00 178.31 176.82 1j3c h SER 21 N 0.24 0.00 0.00 0.00 4.64 -1.45 -3.14 113.55 113.84 1j3c h SER 21 Ca 0.06 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 1j3c h SER 21 Cb 0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1j3c h SER 21 CO -0.01 0.22 -1.42 -1.84 -0.87 0.00 0.00 176.83 172.91 1j3c n GLU 22 N -3.39 1.45 0.12 4.77 -0.00 -0.81 -4.68 120.64 118.10 1j3c n GLU 22 Ca 0.00 -0.04 -0.19 0.00 -0.00 0.00 0.00 57.16 56.93 1j3c n GLU 22 Cb 0.42 -1.18 -0.15 0.00 -0.00 0.00 0.00 31.44 30.53 1j3c n GLU 22 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.13 179.01 1j3c h TYR 23 N 0.00 0.68 -0.48 -1.84 -1.99 -0.91 -3.35 116.97 109.08 1j3c h TYR 23 Ca -0.09 -0.50 0.09 0.00 2.00 0.00 0.00 58.73 60.24 1j3c h TYR 23 Cb 0.87 -0.03 -0.10 0.00 2.00 0.00 0.00 36.73 39.47 1j3c h TYR 23 CO 0.00 1.40 -0.27 0.00 -0.00 0.00 0.00 178.16 179.29 1j3c h ARG 24 N 0.10 -0.15 -0.03 4.88 3.08 -1.74 0.20 114.38 120.72 1j3c h ARG 24 Ca -0.19 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.88 1j3c h ARG 24 Cb 2.05 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 32.14 1j3c h ARG 24 CO 0.23 -0.10 0.02 -1.00 -1.07 0.00 0.00 179.97 178.05 1j3c h PRO 25 N -0.16 0.00 -0.16 0.04 0.13 -1.85 -1.06 132.00 128.94 1j3c h PRO 25 Ca 0.22 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 1j3c h PRO 25 Cb 0.50 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 1j3c h PRO 25 CO -0.58 0.00 -0.15 -0.22 -0.23 0.00 0.00 178.00 176.82 1j3c h LYS 26 N 0.00 0.39 -0.22 0.86 3.11 -0.79 -2.87 116.57 117.06 1j3c h LYS 26 Ca 0.01 -0.20 0.06 0.00 -2.81 0.00 0.00 60.65 57.71 1j3c h LYS 26 Cb 0.06 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 1j3c h LYS 26 CO -0.00 0.75 0.16 0.82 -2.81 0.00 0.00 179.45 178.37 1j3c h ILE 27 N 0.03 0.86 -0.10 2.00 1.08 0.06 -2.04 117.51 119.41 1j3c h ILE 27 Ca 0.03 0.00 -0.18 0.00 -0.39 0.00 0.00 64.86 64.31 1j3c h ILE 27 Cb 0.68 0.89 -0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1j3c h ILE 27 CO 0.04 0.00 -0.70 0.11 -0.69 0.00 0.00 178.15 176.90 1j3c h LYS 28 N 0.00 0.45 0.00 2.37 1.79 -1.21 0.89 116.57 120.86 1j3c h LYS 28 Ca 0.10 -0.35 -0.02 0.00 -2.18 0.00 0.00 60.65 58.20 1j3c h LYS 28 Cb 0.42 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1j3c h LYS 28 CO -0.00 0.98 -0.08 1.03 -1.08 0.00 0.00 179.45 180.30 1j3c h SER 29 N 0.31 0.00 0.00 0.86 0.87 -1.27 -3.14 113.55 111.18 1j3c h SER 29 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1j3c h SER 29 Cb 1.28 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1j3c h SER 29 CO 0.12 0.08 -0.80 -0.62 -0.53 0.00 0.00 176.83 175.09 1j3c n GLU 30 N -3.37 2.31 -3.74 2.24 1.02 -1.15 -4.89 120.64 113.06 1j3c n GLU 30 Ca -0.01 -0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.81 1j3c n GLU 30 Cb 0.25 -0.94 -0.14 0.00 -0.02 0.00 0.00 31.44 30.59 1j3c n GLU 30 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1j3c s HIS 31 N -1.93 2.02 0.14 -0.32 3.76 0.31 -4.96 115.29 114.30 1j3c s HIS 31 Ca -0.00 -2.20 -0.04 0.00 -0.15 0.00 0.00 55.06 52.67 1j3c s HIS 31 Cb 0.03 -1.90 -0.05 0.00 1.11 0.00 0.00 32.58 31.77 1j3c s HIS 31 CO 0.17 -0.83 1.35 -1.00 -0.85 0.00 0.00 174.74 173.57 1j3c h PRO 32 N 7.35 0.46 0.00 8.40 0.13 -1.80 -3.08 132.00 143.46 1j3c h PRO 32 Ca -0.06 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1j3c h PRO 32 Cb 0.97 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1j3c h PRO 32 CO 0.48 1.08 0.00 0.78 -0.23 0.00 0.00 178.00 180.11 1j3c h GLY 33 N 1.15 0.00 -7.18 1.56 0.00 -1.93 -3.42 103.07 93.25 1j3c h GLY 33 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 1j3c h GLY 33 CO 0.15 0.00 0.40 1.04 0.00 0.00 0.00 176.54 178.13 1j3c n LEU 34 N -2.96 0.82 -4.91 3.11 7.99 -1.16 -4.91 117.00 114.99 1j3c n LEU 34 Ca 0.03 -1.62 -0.29 0.00 -0.01 0.00 0.00 56.01 54.11 1j3c n LEU 34 Cb 0.41 -1.42 0.10 0.00 -0.11 0.00 0.00 43.42 42.41 1j3c n LEU 34 CO 0.30 -2.67 0.79 -0.55 -1.51 0.00 0.00 177.39 173.76 1j3c s SER 35 N 7.60 4.31 0.58 -1.43 0.15 -1.26 -4.61 113.70 119.04 1j3c s SER 35 Ca 0.87 0.68 0.29 0.00 0.70 0.00 0.00 55.95 58.49 1j3c s SER 35 Cb -0.21 -1.11 1.51 0.00 -1.71 0.00 0.00 66.02 64.50 1j3c s SER 35 CO 0.18 -2.02 1.94 0.40 1.20 0.00 0.00 173.24 174.94 1j3c h ILE 36 N -1.12 0.41 0.00 6.45 1.08 -1.95 0.52 117.51 122.91 1j3c h ILE 36 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.01 1j3c h ILE 36 Cb 1.31 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.73 1j3c h ILE 36 CO 0.61 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.68 1j3c n GLY 37 N -1.50 -2.40 0.19 5.37 0.00 -1.26 -0.16 105.19 105.43 1j3c n GLY 37 Ca 0.07 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.13 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 0.23 1.61 3.58 -1.86 -2.74 116.42 117.24 1j3c h ASP 38 Ca 0.00 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1j3c h ASP 38 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1j3c h ASP 38 CO 0.00 0.38 -0.40 0.74 -2.88 0.00 0.00 179.24 177.09 1j3c h THR 39 N 0.00 1.30 -0.37 2.25 2.02 0.03 0.65 112.91 118.80 1j3c h THR 39 Ca -0.00 -1.48 -0.16 0.00 0.77 0.00 0.00 66.41 65.54 1j3c h THR 39 Cb 0.76 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 1j3c h THR 39 CO 0.05 0.44 -0.40 0.00 0.37 0.00 0.00 175.52 175.98 1j3c h ALA 40 N 1.40 0.59 0.00 6.16 0.00 -0.25 -3.17 119.26 123.99 1j3c h ALA 40 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1j3c h ALA 40 Cb 0.79 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1j3c h ALA 40 CO 0.06 0.68 -0.87 0.36 0.00 0.00 0.00 179.25 179.48 1j3c n LYS 41 N -4.05 0.31 -0.01 0.00 2.85 -1.10 -3.88 118.16 112.28 1j3c n LYS 41 Ca -0.02 0.04 0.14 0.00 -1.05 0.00 0.00 58.31 57.41 1j3c n LYS 41 Cb 0.55 -1.65 0.72 0.00 -0.65 0.00 0.00 35.03 34.01 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 -2.07 1.23 -0.09 -1.58 3.00 0.23 -3.50 118.16 115.37 1j3c n LYS 42 Ca 0.02 -0.33 -0.14 0.00 -0.00 0.00 0.00 58.31 57.86 1j3c n LYS 42 Cb 0.45 -1.45 -0.14 0.00 0.00 0.00 0.00 35.03 33.89 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 -0.56 1.59 0.11 3.14 4.77 -1.22 -4.22 117.00 120.61 1j3c n LEU 43 Ca 0.20 0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 56.19 1j3c n LEU 43 Cb 0.18 -0.29 0.23 0.00 -2.33 0.00 0.00 43.42 41.21 1j3c n LEU 43 CO 0.16 0.70 0.62 1.23 -1.33 0.00 0.00 177.39 178.77 1j3c h GLY 44 N 2.80 0.21 0.54 -0.72 0.00 -1.74 -2.35 103.07 101.80 1j3c h GLY 44 Ca -0.51 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 46.67 1j3c h GLY 44 CO -0.00 0.19 0.11 0.83 0.00 0.00 0.00 176.54 177.66 1j3c h GLU 45 N 0.16 0.24 -0.03 4.80 5.08 -1.73 0.41 114.58 123.51 1j3c h GLU 45 Ca 0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1j3c h GLU 45 Cb 0.85 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1j3c h GLU 45 CO 0.07 0.16 -0.05 0.52 -1.00 0.00 0.00 179.01 178.71 1j3c h MET 46 N 0.25 0.09 0.20 2.33 2.86 -1.71 -1.41 114.93 117.54 1j3c h MET 46 Ca 0.20 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.79 1j3c h MET 46 Cb 0.22 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 1j3c h MET 46 CO -0.24 0.60 -0.46 2.35 1.06 0.00 0.00 176.91 180.22 1j3c h TRP 47 N -0.40 -1.29 -0.42 -0.22 2.91 -1.05 -1.63 115.95 113.85 1j3c h TRP 47 Ca 0.00 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 1j3c h TRP 47 Cb 0.59 0.54 -0.02 0.00 -0.51 0.00 0.00 29.16 29.75 1j3c h TRP 47 CO 0.11 -0.56 0.23 1.03 -1.03 0.00 0.00 178.44 178.22 1j3c h SER 48 N -0.75 0.50 -0.94 2.65 0.87 -0.27 -2.18 113.55 113.44 1j3c h SER 48 Ca -0.00 -0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.58 1j3c h SER 48 Cb 0.73 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.51 1j3c h SER 48 CO -0.21 0.40 0.61 -0.33 -0.53 0.00 0.00 176.83 176.77 1j3c h GLU 49 N 0.57 1.09 -7.30 2.24 5.08 -0.35 -3.42 114.58 112.49 1j3c h GLU 49 Ca 0.15 -0.07 -0.48 0.00 -1.00 0.00 0.00 59.36 57.96 1j3c h GLU 49 Cb 0.01 -0.25 0.16 0.00 0.50 0.00 0.00 28.75 29.17 1j3c h GLU 49 CO -0.03 0.72 0.22 -0.65 -1.00 0.00 0.00 179.01 178.27 1j3c s GLN 50 N -5.97 0.95 -0.25 2.33 -1.52 -0.78 -5.05 119.66 109.37 1j3c s GLN 50 Ca -0.12 0.91 -0.02 0.00 -1.95 0.00 0.00 55.36 54.18 1j3c s GLN 50 Cb 0.19 -1.77 0.13 0.00 -0.22 0.00 0.00 33.01 31.35 1j3c s GLN 50 CO 0.81 -2.48 0.35 -1.12 -0.25 0.00 0.00 175.29 172.60 1j3c s SER 51 N -3.22 0.59 -1.39 5.90 0.01 -1.26 -4.92 113.70 109.41 1j3c s SER 51 Ca 0.64 -0.05 -0.04 0.00 1.31 0.00 0.00 55.95 57.81 1j3c s SER 51 Cb -0.19 0.94 0.03 0.00 0.21 0.00 0.00 66.02 67.00 1j3c s SER 51 CO 0.58 -0.32 0.75 0.00 0.41 0.00 0.00 173.24 174.65 1j3c n ALA 52 N 5.35 -1.80 0.10 1.44 0.00 -1.26 -4.79 120.51 119.55 1j3c n ALA 52 Ca -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1j3c n ALA 52 Cb 0.49 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.33 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 -4.41 0.00 0.17 0.00 5.02 -1.26 -4.84 118.16 112.84 1j3c n LYS 53 Ca -0.20 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.16 1j3c n LYS 53 Cb 0.63 0.00 0.57 0.00 -0.02 0.00 0.00 35.03 36.22 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 0.15 -0.54 4.39 3.58 -1.94 -1.49 116.42 120.57 1j3c h ASP 54 Ca 0.00 -0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 1j3c h ASP 54 Cb 0.00 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 40.95 1j3c h ASP 54 CO 0.00 0.11 0.12 1.17 -2.88 0.00 0.00 179.24 177.76 1j3c n LYS 55 N -4.51 3.66 -0.11 0.28 4.81 -1.26 -3.94 118.16 117.08 1j3c n LYS 55 Ca -0.01 -2.52 -0.19 0.00 -0.87 0.00 0.00 58.31 54.73 1j3c n LYS 55 Cb 0.10 -2.08 -0.06 0.00 0.02 0.00 0.00 35.03 33.00 1j3c n LYS 55 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1j3c n GLN 56 N 0.19 0.56 0.08 1.64 1.13 -0.56 -4.15 117.38 116.26 1j3c n GLN 56 Ca 0.29 0.26 -0.18 0.00 -1.94 0.00 0.00 57.00 55.42 1j3c n GLN 56 Cb 1.12 -1.48 -0.14 0.00 0.11 0.00 0.00 30.24 29.84 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 0.30 -0.01 -1.09 0.13 -1.77 -3.31 132.00 125.25 1j3c h PRO 57 Ca -0.34 -0.52 0.00 0.00 -0.87 0.00 0.00 66.00 64.27 1j3c h PRO 57 Cb 1.27 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.60 1j3c h PRO 57 CO -0.20 1.19 0.00 0.66 -0.23 0.00 0.00 178.00 179.41 1j3c n TYR 58 N -3.51 0.02 0.01 1.56 4.01 -1.25 -3.39 117.16 114.61 1j3c n TYR 58 Ca -0.17 -0.01 0.10 0.00 -0.16 0.00 0.00 57.90 57.66 1j3c n TYR 58 Cb 1.05 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.95 1j3c n TYR 58 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 1j3c n GLU 59 N -0.67 0.65 0.17 -0.72 -0.00 -1.25 -3.98 120.64 114.84 1j3c n GLU 59 Ca 0.11 -0.12 0.05 0.00 -0.00 0.00 0.00 57.16 57.21 1j3c n GLU 59 Cb 0.07 -1.59 0.15 0.00 -0.00 0.00 0.00 31.44 30.07 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 -0.50 3.44 3.07 -1.72 -3.27 115.11 116.12 1j3c h GLN 60 Ca -0.02 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.75 1j3c h GLN 60 Cb 1.04 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.57 1j3c h GLN 60 CO 0.00 0.38 0.30 -0.22 0.09 0.00 0.00 178.83 179.38 1j3c h LYS 61 N 0.00 0.58 0.00 0.06 3.64 -1.74 -0.30 116.57 118.81 1j3c h LYS 61 Ca -0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1j3c h LYS 61 Cb 1.18 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 1j3c h LYS 61 CO 0.05 0.38 0.00 0.00 -2.27 0.00 0.00 179.45 177.61 1j3c n ALA 62 N -2.27 1.78 1.56 5.00 0.00 -1.23 -2.30 120.51 123.04 1j3c n ALA 62 Ca 0.03 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.53 1j3c n ALA 62 Cb 0.07 -1.28 0.51 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.50 2.57 -0.08 0.00 0.00 -0.12 -3.75 120.51 117.63 1j3c n ALA 63 Ca 0.04 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.02 1j3c n ALA 63 Cb 0.20 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.34 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 -0.13 1.24 -0.01 0.00 4.76 -0.97 -4.36 118.16 118.70 1j3c n LYS 64 Ca 0.17 0.03 0.09 0.00 -2.87 0.00 0.00 58.31 55.73 1j3c n LYS 64 Cb 0.25 -1.39 0.53 0.00 -1.84 0.00 0.00 35.03 32.58 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 -2.70 0.14 -0.05 -0.35 4.32 -1.25 -3.36 117.00 113.76 1j3c n LEU 65 Ca -0.27 -0.06 -0.03 0.00 -0.02 0.00 0.00 56.01 55.63 1j3c n LEU 65 Cb 0.95 -0.01 -0.14 0.00 -1.62 0.00 0.00 43.42 42.60 1j3c n LEU 65 CO 0.28 0.03 -0.84 1.17 -1.22 0.00 0.00 177.39 176.81 1j3c n LYS 66 N -0.69 0.66 0.07 3.23 4.81 -1.25 -3.09 118.16 121.91 1j3c n LYS 66 Ca 0.14 0.01 0.12 0.00 -0.87 0.00 0.00 58.31 57.72 1j3c n LYS 66 Cb 0.09 -1.60 0.28 0.00 0.02 0.00 0.00 35.03 33.82 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 -2.68 0.26 -0.08 1.64 1.02 -1.21 -2.94 120.64 116.64 1j3c n GLU 67 Ca -0.20 0.13 -0.07 0.00 -0.02 0.00 0.00 57.16 57.00 1j3c n GLU 67 Cb 0.95 -1.72 -0.13 0.00 -0.02 0.00 0.00 31.44 30.51 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 -2.13 1.22 0.00 3.49 4.76 -1.25 -4.13 118.16 120.12 1j3c n LYS 68 Ca 0.04 -0.02 -0.11 0.00 -2.87 0.00 0.00 58.31 55.36 1j3c n LYS 68 Cb 0.43 -1.43 -0.09 0.00 -1.84 0.00 0.00 35.03 32.11 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 -0.10 0.00 2.13 3.20 -1.65 0.13 116.97 120.68 1j3c h TYR 69 Ca -0.42 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1j3c h TYR 69 Cb 1.93 0.03 0.00 0.00 1.54 0.00 0.00 36.73 40.23 1j3c h TYR 69 CO 0.00 0.45 0.00 0.39 -1.64 0.00 0.00 178.16 177.36 1j3c n GLU 70 N -4.81 0.11 -0.06 1.82 -0.58 -1.15 -0.83 120.64 115.13 1j3c n GLU 70 Ca -0.08 0.51 -0.07 0.00 -0.42 0.00 0.00 57.16 57.10 1j3c n GLU 70 Cb 0.29 -1.80 -0.09 0.00 -0.57 0.00 0.00 31.44 29.27 1j3c n GLU 70 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1j3c n LYS 71 N -2.03 1.63 0.00 3.49 4.76 -1.22 -4.51 118.16 120.29 1j3c n LYS 71 Ca 0.00 0.02 -0.17 0.00 -2.87 0.00 0.00 58.31 55.29 1j3c n LYS 71 Cb 0.10 -1.31 -0.14 0.00 -1.84 0.00 0.00 35.03 31.84 1j3c n LYS 71 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1j3c h ASP 72 N 0.00 0.28 0.52 4.39 1.82 -0.57 -3.35 116.42 119.52 1j3c h ASP 72 Ca -0.33 -0.61 0.00 0.00 -0.39 0.00 0.00 57.03 55.70 1j3c h ASP 72 Cb 1.69 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 41.61 1j3c h ASP 72 CO 0.00 1.55 0.00 -0.29 -1.61 0.00 0.00 179.24 178.89 1j3c h ILE 73 N 0.05 0.00 -0.19 2.25 6.09 -1.14 -0.01 117.51 124.57 1j3c h ILE 73 Ca -0.36 -0.25 -0.06 0.00 -1.37 0.00 0.00 64.86 62.82 1j3c h ILE 73 Cb 2.03 1.16 -0.00 0.00 0.47 0.00 0.00 36.82 40.47 1j3c h ILE 73 CO 0.09 0.00 -0.12 0.00 -3.07 0.00 0.00 178.15 175.06 1j3c h ALA 74 N 2.03 0.27 0.00 0.18 0.00 -1.75 -2.76 119.26 117.24 1j3c h ALA 74 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 1j3c h ALA 74 Cb 0.26 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1j3c h ALA 74 CO 0.00 0.12 -1.18 0.00 0.00 0.00 0.00 179.25 178.20 1j3c h ALA 75 N 0.68 0.65 0.00 0.00 0.00 -1.69 0.41 119.26 119.30 1j3c h ALA 75 Ca 0.04 -0.78 -0.00 0.00 0.00 0.00 0.00 54.91 54.17 1j3c h ALA 75 Cb 0.62 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1j3c h ALA 75 CO 0.03 0.90 -0.00 -0.92 0.00 0.00 0.00 179.25 179.26 1j3c h TYR 76 N 0.00 -0.00 -0.52 0.00 3.20 -1.02 -3.13 116.97 115.49 1j3c h TYR 76 Ca -0.12 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.75 1j3c h TYR 76 Cb 1.57 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.84 1j3c h TYR 76 CO 0.00 0.09 0.00 0.54 -1.64 0.00 0.00 178.16 177.15 1j3c n ARG 77 N -5.05 2.84 -3.19 1.82 1.74 -1.04 -5.00 116.66 108.78 1j3c n ARG 77 Ca -0.07 -2.35 -0.05 0.00 -0.77 0.00 0.00 57.85 54.61 1j3c n ARG 77 Cb 0.08 -1.43 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.00 -2.55 0.83 7.54 0.00 -0.66 -5.05 120.51 121.61 1j3c n ALA 78 Ca 0.18 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.67 1j3c n ALA 78 Cb 0.53 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.63 1j3c n ALA 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67