#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 3.25 -0.40 2.12 3.01 -1.26 -4.85 119.74 121.62 1j3c s LYS 2 Ca 0.00 -1.90 0.01 0.00 -1.01 0.00 0.00 55.97 53.06 1j3c s LYS 2 Cb 0.00 -4.38 0.25 0.00 -1.01 0.00 0.00 37.83 32.70 1j3c s LYS 2 CO 0.00 -1.38 1.08 1.17 0.51 0.00 0.00 175.35 176.73 1j3c n LYS 3 N 5.08 0.37 0.51 1.68 4.81 -1.26 -5.05 118.16 124.31 1j3c n LYS 3 Ca -0.01 -1.13 -0.20 0.00 -0.87 0.00 0.00 58.31 56.09 1j3c n LYS 3 Cb 0.43 -0.70 -0.10 0.00 0.02 0.00 0.00 35.03 34.69 1j3c n LYS 3 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1j3c h LYS 4 N 3.62 -1.25 -2.74 1.64 1.57 -1.98 -3.47 116.57 113.95 1j3c h LYS 4 Ca -0.17 0.09 0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1j3c h LYS 4 Cb 1.14 0.28 -0.11 0.00 0.08 0.00 0.00 32.23 33.62 1j3c h LYS 4 CO 0.01 -0.84 0.32 -0.51 -0.57 0.00 0.00 179.45 177.86 1j3c s ASP 5 N -4.05 -0.41 -0.01 0.86 1.01 -1.26 -5.03 116.67 107.77 1j3c s ASP 5 Ca -0.20 -0.17 -0.23 0.00 0.71 0.00 0.00 52.55 52.67 1j3c s ASP 5 Cb 0.02 0.56 -0.20 0.00 1.01 0.00 0.00 42.92 44.31 1j3c s ASP 5 CO 0.60 -0.95 1.17 1.55 0.21 0.00 0.00 175.17 177.75 1j3c h PRO 6 N 2.00 0.23 -0.88 8.23 0.13 -2.04 -3.22 132.00 136.45 1j3c h PRO 6 Ca -0.27 -0.18 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 1j3c h PRO 6 Cb 1.27 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.32 1j3c h PRO 6 CO 0.32 0.82 0.26 -1.71 -0.23 0.00 0.00 178.00 177.46 1j3c n ASN 7 N -4.54 3.80 -4.75 1.44 2.85 -1.26 -4.90 115.26 107.90 1j3c n ASN 7 Ca -0.08 -2.89 -0.36 0.00 -0.11 0.00 0.00 54.58 51.13 1j3c n ASN 7 Cb 0.44 -0.69 -0.07 0.00 1.24 0.00 0.00 39.78 40.70 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1j3c s ALA 8 N -2.21 3.64 -1.22 5.20 0.00 -1.22 -4.99 121.76 120.95 1j3c s ALA 8 Ca 0.38 -0.49 -0.21 0.00 0.00 0.00 0.00 51.96 51.64 1j3c s ALA 8 Cb 0.31 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.06 1j3c s ALA 8 CO 0.09 0.17 1.87 -0.35 0.00 0.00 0.00 175.76 177.54 1j3c n PRO 9 N 3.31 2.13 -0.82 0.00 -0.04 -1.26 -4.66 135.00 133.66 1j3c n PRO 9 Ca -0.13 -2.73 -0.04 0.00 -0.04 0.00 0.00 63.50 60.56 1j3c n PRO 9 Cb 0.52 -3.64 0.23 0.00 -0.04 0.00 0.00 33.50 30.57 1j3c n PRO 9 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1j3c n LYS 10 N 8.28 2.53 -3.14 0.54 2.85 -1.26 -4.82 118.16 123.14 1j3c n LYS 10 Ca 0.46 -3.06 0.03 0.00 -1.05 0.00 0.00 58.31 54.69 1j3c n LYS 10 Cb 0.46 -1.95 -0.00 0.00 -0.65 0.00 0.00 35.03 32.89 1j3c n LYS 10 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1j3c s ARG 11 N -3.11 0.56 -0.30 -1.58 6.06 -1.26 -5.12 118.95 114.20 1j3c s ARG 11 Ca 0.48 0.16 -0.29 0.00 -2.50 0.00 0.00 55.73 53.58 1j3c s ARG 11 Cb 0.41 0.15 0.00 0.00 0.06 0.00 0.00 34.95 35.57 1j3c s ARG 11 CO 0.06 -0.93 1.32 -1.25 -2.50 0.00 0.00 175.30 172.00 1j3c s PRO 12 N 2.43 3.89 0.55 5.12 0.04 -1.26 -5.01 135.00 140.76 1j3c s PRO 12 Ca 0.15 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.31 1j3c s PRO 12 Cb -0.06 -3.89 -0.06 0.00 0.04 0.00 0.00 34.50 30.54 1j3c s PRO 12 CO -0.18 -1.15 0.97 -1.25 0.04 0.00 0.00 177.00 175.43 1j3c s PRO 13 N 4.22 3.73 -0.40 0.56 0.04 -1.26 -5.03 135.00 136.86 1j3c s PRO 13 Ca 0.57 0.75 0.10 0.00 0.04 0.00 0.00 61.00 62.46 1j3c s PRO 13 Cb -0.17 -2.16 0.37 0.00 0.04 0.00 0.00 34.50 32.59 1j3c s PRO 13 CO 0.24 -0.38 1.06 0.45 0.04 0.00 0.00 177.00 178.40 1j3c n SER 14 N -2.16 -0.83 0.00 6.66 2.88 -1.26 -4.73 113.62 114.17 1j3c n SER 14 Ca 0.05 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.53 1j3c n SER 14 Cb 0.54 0.68 0.00 0.00 -0.75 0.00 0.00 64.21 64.68 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 0.03 0.00 -0.18 -1.46 0.00 -1.26 -4.20 120.51 113.43 1j3c n ALA 15 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.50 1j3c n ALA 15 Cb 0.75 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.49 -0.86 0.00 3.57 -1.96 0.78 116.94 117.98 1j3c h PHE 16 Ca 0.00 0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.61 1j3c h PHE 16 Cb 0.00 0.30 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1j3c h PHE 16 CO 0.00 -0.30 0.54 0.35 -2.23 0.00 0.00 178.31 176.68 1j3c h PHE 17 N -0.07 1.01 -0.35 0.41 3.57 -1.96 0.20 116.94 119.76 1j3c h PHE 17 Ca 0.26 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.80 1j3c h PHE 17 Cb 0.47 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1j3c h PHE 17 CO -0.52 0.54 0.22 -0.07 -2.23 0.00 0.00 178.31 176.26 1j3c h LEU 18 N 1.02 0.38 0.07 0.59 3.38 -1.23 0.49 115.31 120.01 1j3c h LEU 18 Ca 0.36 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 1j3c h LEU 18 Cb 0.10 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1j3c h LEU 18 CO -0.15 0.27 -0.03 0.15 0.09 0.00 0.00 178.44 178.77 1j3c h PHE 19 N 0.45 -0.09 0.17 1.13 3.57 -0.56 -2.41 116.94 119.21 1j3c h PHE 19 Ca 0.13 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1j3c h PHE 19 Cb -0.04 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 1j3c h PHE 19 CO -0.06 0.36 -0.25 0.00 -2.23 0.00 0.00 178.31 176.14 1j3c h SER 21 N -0.48 0.08 0.71 0.00 0.87 -0.98 0.22 113.55 113.96 1j3c h SER 21 Ca 0.01 -0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.33 1j3c h SER 21 Cb 0.48 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.38 1j3c h SER 21 CO -0.11 0.05 -1.42 -0.33 -0.53 0.00 0.00 176.83 174.50 1j3c h GLU 22 N 0.09 0.00 -0.72 2.24 4.39 -0.79 -3.34 114.58 116.46 1j3c h GLU 22 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1j3c h GLU 22 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1j3c h GLU 22 CO -0.01 0.63 0.00 0.66 -1.16 0.00 0.00 179.01 179.13 1j3c n TYR 23 N -3.13 0.96 -0.07 4.33 4.02 0.29 -4.47 117.16 119.09 1j3c n TYR 23 Ca -0.10 -0.48 -0.14 0.00 -0.01 0.00 0.00 57.90 57.17 1j3c n TYR 23 Cb 0.99 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 40.18 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 4.29 -0.00 0.00 -0.72 3.08 -0.72 -3.26 114.38 117.05 1j3c h ARG 24 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1j3c h ARG 24 Cb 0.98 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.03 1j3c h ARG 24 CO 0.00 0.98 0.00 -1.00 -1.07 0.00 0.00 179.97 178.88 1j3c h PRO 25 N -0.99 0.00 -0.00 0.04 0.13 -1.80 -2.27 132.00 127.11 1j3c h PRO 25 Ca -0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1j3c h PRO 25 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1j3c h PRO 25 CO 0.00 0.00 -0.01 -0.22 -0.23 0.00 0.00 178.00 177.54 1j3c h LYS 26 N 0.00 0.01 -0.90 0.86 3.11 -1.81 -2.74 116.57 115.10 1j3c h LYS 26 Ca 0.00 -0.01 0.10 0.00 -2.81 0.00 0.00 60.65 57.93 1j3c h LYS 26 Cb 0.15 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.31 1j3c h LYS 26 CO 0.00 0.64 0.58 0.82 -2.81 0.00 0.00 179.45 178.68 1j3c h ILE 27 N -0.61 0.95 -0.45 2.00 1.08 -1.46 -2.11 117.51 116.91 1j3c h ILE 27 Ca -0.00 -0.30 -0.12 0.00 -0.39 0.00 0.00 64.86 64.05 1j3c h ILE 27 Cb 0.65 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 1j3c h ILE 27 CO 0.00 0.16 -0.19 0.11 -0.69 0.00 0.00 178.15 177.54 1j3c h LYS 28 N 0.87 0.92 -0.08 2.37 1.79 -1.51 1.05 116.57 121.98 1j3c h LYS 28 Ca 0.42 -0.39 0.02 0.00 -2.18 0.00 0.00 60.65 58.53 1j3c h LYS 28 Cb 0.45 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 1j3c h LYS 28 CO -0.19 1.05 0.12 1.03 -1.08 0.00 0.00 179.45 180.38 1j3c h SER 29 N 0.75 0.00 0.00 0.86 0.87 -1.06 -2.83 113.55 112.14 1j3c h SER 29 Ca 0.10 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.62 1j3c h SER 29 Cb 0.76 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 1j3c h SER 29 CO 0.06 0.00 -1.32 -0.62 -0.53 0.00 0.00 176.83 174.42 1j3c n GLU 30 N -3.62 1.22 -3.99 2.24 -0.58 -1.07 -4.89 120.64 109.96 1j3c n GLU 30 Ca -0.01 -0.04 -0.31 0.00 -0.42 0.00 0.00 57.16 56.38 1j3c n GLU 30 Cb 0.21 -1.15 -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 -2.33 3.58 0.14 -0.32 3.76 0.36 -4.94 115.29 115.54 1j3c s HIS 31 Ca -0.02 -3.04 0.13 0.00 -0.15 0.00 0.00 55.06 51.98 1j3c s HIS 31 Cb 0.03 -2.91 0.30 0.00 1.11 0.00 0.00 32.58 31.11 1j3c s HIS 31 CO 0.25 -0.88 1.56 -1.00 -0.85 0.00 0.00 174.74 173.81 1j3c h PRO 32 N 7.27 0.00 0.00 8.40 0.13 -1.81 -3.04 132.00 142.95 1j3c h PRO 32 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1j3c h PRO 32 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1j3c h PRO 32 CO 0.58 0.60 -0.32 0.41 -0.23 0.00 0.00 178.00 179.04 1j3c n GLY 33 N 0.62 -1.40 3.58 1.56 0.00 -1.26 -4.71 105.19 103.58 1j3c n GLY 33 Ca -0.00 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.36 2.54 1.01 0.99 2.01 -1.15 -4.92 118.68 115.80 1j3c s LEU 34 Ca 0.11 -0.95 -0.13 0.00 0.01 0.00 0.00 54.13 53.16 1j3c s LEU 34 Cb 0.17 -2.59 0.20 0.00 0.01 0.00 0.00 46.19 43.97 1j3c s LEU 34 CO 0.64 -4.37 1.11 -0.44 1.01 0.00 0.00 176.35 174.30 1j3c s SER 35 N 8.48 2.52 0.54 2.29 0.01 -1.26 -4.47 113.70 121.82 1j3c s SER 35 Ca 0.80 1.04 0.30 0.00 1.31 0.00 0.00 55.95 59.41 1j3c s SER 35 Cb -0.05 -1.63 1.47 0.00 0.21 0.00 0.00 66.02 66.01 1j3c s SER 35 CO 0.16 -3.18 1.91 0.40 0.41 0.00 0.00 173.24 172.94 1j3c h ILE 36 N -1.93 0.56 0.09 1.44 1.08 -1.96 0.42 117.51 117.23 1j3c h ILE 36 Ca -0.53 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1j3c h ILE 36 Cb 1.33 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 1j3c h ILE 36 CO 0.56 0.00 -0.05 1.23 -0.69 0.00 0.00 178.15 179.20 1j3c h GLY 37 N 0.00 -0.13 2.00 5.37 0.00 -1.97 -1.03 103.07 107.31 1j3c h GLY 37 Ca 0.37 0.05 -0.06 0.00 0.00 0.00 0.00 47.33 47.69 1j3c h GLY 37 CO -0.00 -0.05 -0.31 -1.80 0.00 0.00 0.00 176.54 174.38 1j3c h ASP 38 N -0.13 0.00 0.32 0.19 3.58 -1.80 -2.52 116.42 116.07 1j3c h ASP 38 Ca -0.01 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 1j3c h ASP 38 Cb 0.10 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1j3c h ASP 38 CO 0.02 0.31 -0.21 0.74 -2.88 0.00 0.00 179.24 177.22 1j3c h THR 39 N 0.00 0.93 0.03 2.25 2.02 -0.12 0.46 112.91 118.48 1j3c h THR 39 Ca -0.00 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 1j3c h THR 39 Cb 0.60 1.44 0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1j3c h THR 39 CO 0.04 0.20 -0.34 0.00 0.37 0.00 0.00 175.52 175.80 1j3c h ALA 40 N 1.79 0.00 0.00 6.16 0.00 -0.73 -3.20 119.26 123.29 1j3c h ALA 40 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1j3c h ALA 40 Cb 0.42 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1j3c h ALA 40 CO 0.03 0.14 -0.16 0.36 0.00 0.00 0.00 179.25 179.62 1j3c n LYS 41 N -4.43 0.13 -0.02 0.00 2.85 -1.13 -3.81 118.16 111.76 1j3c n LYS 41 Ca -0.11 0.09 -0.01 0.00 -1.05 0.00 0.00 58.31 57.23 1j3c n LYS 41 Cb 0.58 -1.63 -0.01 0.00 -0.65 0.00 0.00 35.03 33.32 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 -0.07 -0.47 -1.58 1.63 -0.16 -3.28 116.57 112.64 1j3c h LYS 42 Ca 0.00 0.00 0.14 0.00 -0.85 0.00 0.00 60.65 59.94 1j3c h LYS 42 Cb 0.62 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 1j3c h LYS 42 CO 0.00 -0.05 0.55 -0.07 -3.45 0.00 0.00 179.45 176.44 1j3c h LEU 43 N -0.97 0.00 -0.51 5.20 3.38 -1.71 0.20 115.31 120.90 1j3c h LEU 43 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1j3c h LEU 43 Cb 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1j3c h LEU 43 CO 0.01 0.00 -0.13 1.23 0.09 0.00 0.00 178.44 179.64 1j3c h GLY 44 N 0.00 1.08 0.64 0.83 0.00 -1.66 -2.85 103.07 101.11 1j3c h GLY 44 Ca 0.22 -0.89 0.12 0.00 0.00 0.00 0.00 47.33 46.78 1j3c h GLY 44 CO -0.00 0.82 0.56 -2.09 0.00 0.00 0.00 176.54 175.83 1j3c h GLU 45 N 0.86 0.73 0.15 4.80 4.81 -0.66 -2.09 114.58 123.19 1j3c h GLU 45 Ca 0.13 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1j3c h GLU 45 Cb 0.70 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1j3c h GLU 45 CO 0.05 0.48 -0.07 0.52 -0.73 0.00 0.00 179.01 179.26 1j3c h MET 46 N 0.75 -0.20 -0.31 1.92 2.86 -1.56 -2.76 114.93 115.65 1j3c h MET 46 Ca 0.42 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 58.14 1j3c h MET 46 Cb 0.58 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 32.21 1j3c h MET 46 CO -0.19 0.23 -0.32 2.35 1.06 0.00 0.00 176.91 180.04 1j3c h TRP 47 N -0.72 -0.89 -0.75 -0.22 2.91 -1.24 -0.01 115.95 115.03 1j3c h TRP 47 Ca -0.02 0.05 0.07 0.00 1.13 0.00 0.00 58.89 60.12 1j3c h TRP 47 Cb 0.52 0.43 -0.05 0.00 -0.51 0.00 0.00 29.16 29.55 1j3c h TRP 47 CO 0.07 -0.38 0.49 1.03 -1.03 0.00 0.00 178.44 178.62 1j3c h SER 48 N -0.30 0.69 -0.66 2.65 0.87 -1.48 -1.59 113.55 113.74 1j3c h SER 48 Ca 0.15 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 1j3c h SER 48 Cb 0.54 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1j3c h SER 48 CO -0.47 0.44 0.22 -0.33 -0.53 0.00 0.00 176.83 176.16 1j3c h GLU 49 N 0.78 1.01 -7.22 2.24 4.39 -0.74 -3.43 114.58 111.62 1j3c h GLU 49 Ca 0.32 -0.21 -0.53 0.00 0.34 0.00 0.00 59.36 59.28 1j3c h GLU 49 Cb 0.27 -0.15 0.19 0.00 -0.10 0.00 0.00 28.75 28.95 1j3c h GLU 49 CO -0.11 0.88 0.32 -0.65 -1.16 0.00 0.00 179.01 178.28 1j3c s GLN 50 N -5.44 1.48 0.00 2.33 -1.52 -0.47 -5.04 119.66 111.00 1j3c s GLN 50 Ca -0.13 1.73 0.00 0.00 -1.95 0.00 0.00 55.36 55.01 1j3c s GLN 50 Cb 0.14 -1.76 0.00 0.00 -0.22 0.00 0.00 33.01 31.17 1j3c s GLN 50 CO 0.82 -2.32 0.00 0.43 -0.25 0.00 0.00 175.29 173.97 1j3c n SER 51 N -3.50 0.01 -2.47 5.90 7.64 -1.26 -4.94 113.62 115.00 1j3c n SER 51 Ca 0.13 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.77 1j3c n SER 51 Cb 0.51 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 1j3c n SER 51 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j3c n ALA 52 N -3.00 6.50 0.00 -0.43 0.00 -1.26 -4.14 120.51 118.19 1j3c n ALA 52 Ca 0.00 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.62 1j3c n ALA 52 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.16 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 1.47 0.00 0.18 0.00 5.02 -1.26 -4.49 118.16 119.07 1j3c n LYS 53 Ca 0.49 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.92 1j3c n LYS 53 Cb 0.62 -0.24 0.54 0.00 -0.02 0.00 0.00 35.03 35.92 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 0.00 4.39 3.58 -1.96 -3.29 116.42 119.14 1j3c h ASP 54 Ca 0.00 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.20 1j3c h ASP 54 Cb 0.48 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.48 1j3c h ASP 54 CO 0.00 0.00 -1.94 2.29 -2.88 0.00 0.00 179.24 176.71 1j3c n LYS 55 N -2.51 0.81 -0.29 0.28 2.85 -1.26 -4.24 118.16 113.79 1j3c n LYS 55 Ca 0.02 0.07 -0.07 0.00 -1.05 0.00 0.00 58.31 57.28 1j3c n LYS 55 Cb 0.27 -1.34 -0.03 0.00 -0.65 0.00 0.00 35.03 33.29 1j3c n LYS 55 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1j3c h GLN 56 N 0.00 -0.12 -0.09 -1.58 1.08 -1.79 1.00 115.11 113.61 1j3c h GLN 56 Ca -0.37 0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 56.67 1j3c h GLN 56 Cb 1.64 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 29.09 1j3c h GLN 56 CO -0.04 -0.08 -0.65 -1.00 -0.95 0.00 0.00 178.83 176.11 1j3c h PRO 57 N -0.13 0.35 0.00 1.46 0.13 -1.84 -2.85 132.00 129.13 1j3c h PRO 57 Ca 0.22 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1j3c h PRO 57 Cb 0.54 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1j3c h PRO 57 CO -0.81 0.88 0.00 0.98 -0.23 0.00 0.00 178.00 178.82 1j3c n TYR 58 N -3.87 0.00 0.01 1.56 9.36 0.01 -3.74 117.16 120.50 1j3c n TYR 58 Ca -0.03 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.14 1j3c n TYR 58 Cb 0.65 -0.41 -0.03 0.00 -0.63 0.00 0.00 39.34 38.93 1j3c n TYR 58 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1j3c h GLU 59 N 0.00 -0.14 -1.01 2.98 4.39 0.12 -3.30 114.58 117.62 1j3c h GLU 59 Ca 0.00 0.01 0.29 0.00 0.34 0.00 0.00 59.36 60.00 1j3c h GLU 59 Cb 0.32 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1j3c h GLU 59 CO 0.00 0.05 0.83 -0.56 -1.16 0.00 0.00 179.01 178.17 1j3c h GLN 60 N -1.02 0.00 0.03 2.33 3.07 -1.65 -0.26 115.11 117.62 1j3c h GLN 60 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.72 1j3c h GLN 60 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.81 1j3c h GLN 60 CO 0.02 0.00 -0.02 -0.22 0.09 0.00 0.00 178.83 178.71 1j3c h LYS 61 N 0.00 -0.05 0.00 0.06 3.64 -1.70 -1.42 116.57 117.11 1j3c h LYS 61 Ca 0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1j3c h LYS 61 Cb 2.14 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.97 1j3c h LYS 61 CO -0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 179.45 177.16 1j3c n ALA 62 N -2.12 1.91 1.71 5.00 0.00 -0.13 -2.35 120.51 124.53 1j3c n ALA 62 Ca -0.07 -0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.44 1j3c n ALA 62 Cb 0.06 -1.30 0.69 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.41 2.62 -0.07 0.00 0.00 -0.54 -3.03 120.51 118.08 1j3c n ALA 63 Ca 0.06 -0.34 -0.06 0.00 0.00 0.00 0.00 53.44 53.10 1j3c n ALA 63 Cb 0.19 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.33 1.49 0.00 0.00 4.76 -0.99 -4.37 118.16 118.72 1j3c n LYS 64 Ca 0.21 -0.02 0.12 0.00 -2.87 0.00 0.00 58.31 55.75 1j3c n LYS 64 Cb 0.24 -1.38 0.31 0.00 -1.84 0.00 0.00 35.03 32.37 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 -2.52 0.45 0.06 -0.35 4.32 -1.24 -3.76 117.00 113.95 1j3c n LEU 65 Ca -0.23 0.06 -0.09 0.00 -0.02 0.00 0.00 56.01 55.73 1j3c n LEU 65 Cb 0.95 -0.28 -0.13 0.00 -1.62 0.00 0.00 43.42 42.34 1j3c n LEU 65 CO 0.32 0.11 -0.00 0.50 -1.22 0.00 0.00 177.39 177.09 1j3c h LYS 66 N 0.06 0.06 0.53 3.23 1.63 -1.74 -2.88 116.57 117.46 1j3c h LYS 66 Ca 0.00 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 59.67 1j3c h LYS 66 Cb 0.50 0.04 0.01 0.00 -0.60 0.00 0.00 32.23 32.17 1j3c h LYS 66 CO 0.00 0.98 -0.26 1.49 -3.45 0.00 0.00 179.45 178.21 1j3c h GLU 67 N 0.02 -0.69 -0.09 1.90 4.81 -1.76 -1.77 114.58 116.99 1j3c h GLU 67 Ca -0.08 0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 1j3c h GLU 67 Cb 1.85 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 31.38 1j3c h GLU 67 CO 0.14 -0.46 0.14 0.87 -0.73 0.00 0.00 179.01 178.97 1j3c h LYS 68 N -1.06 0.00 0.29 1.92 1.57 -1.71 0.82 116.57 118.40 1j3c h LYS 68 Ca -0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1j3c h LYS 68 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1j3c h LYS 68 CO 0.12 0.00 -0.14 -0.92 -0.57 0.00 0.00 179.45 177.94 1j3c h TYR 69 N 0.00 -0.36 0.00 -1.35 5.03 -1.40 -1.90 116.97 116.99 1j3c h TYR 69 Ca 0.04 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1j3c h TYR 69 Cb 0.33 0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.72 1j3c h TYR 69 CO 0.00 -0.22 -0.02 0.93 -1.32 0.00 0.00 178.16 177.53 1j3c h GLU 70 N -1.08 0.00 0.00 1.82 5.08 -1.06 -2.71 114.58 116.63 1j3c h GLU 70 Ca -0.04 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1j3c h GLU 70 Cb 0.29 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1j3c h GLU 70 CO 0.06 0.00 -2.05 1.17 -1.00 0.00 0.00 179.01 177.19 1j3c n LYS 71 N -2.74 0.67 -0.09 2.33 4.81 0.28 -4.53 118.16 118.89 1j3c n LYS 71 Ca 0.05 -0.09 -0.10 0.00 -0.87 0.00 0.00 58.31 57.29 1j3c n LYS 71 Cb 0.49 -1.55 -0.13 0.00 0.02 0.00 0.00 35.03 33.85 1j3c n LYS 71 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1j3c n ASP 72 N -2.48 0.89 -0.12 3.14 2.03 -0.72 -4.43 116.55 114.87 1j3c n ASP 72 Ca -0.14 -0.02 0.13 0.00 0.52 0.00 0.00 54.79 55.28 1j3c n ASP 72 Cb 0.79 0.68 0.50 0.00 -0.72 0.00 0.00 41.12 42.37 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 0.86 0.52 5.18 6.09 -1.52 0.43 117.51 129.06 1j3c h ILE 73 Ca -0.49 -0.14 -0.03 0.00 -1.37 0.00 0.00 64.86 62.83 1j3c h ILE 73 Cb 2.05 0.41 0.01 0.00 0.47 0.00 0.00 36.82 39.75 1j3c h ILE 73 CO 0.01 0.08 -0.25 0.00 -3.07 0.00 0.00 178.15 174.91 1j3c h ALA 74 N 1.67 -0.70 -0.65 0.18 0.00 -1.79 -2.43 119.26 115.54 1j3c h ALA 74 Ca 0.31 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1j3c h ALA 74 Cb 0.67 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1j3c h ALA 74 CO -0.09 -0.87 0.22 0.00 0.00 0.00 0.00 179.25 178.51 1j3c h ALA 75 N -0.28 1.17 -3.00 0.00 0.00 -1.62 -3.42 119.26 112.11 1j3c h ALA 75 Ca -0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1j3c h ALA 75 Cb 0.56 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1j3c h ALA 75 CO 0.12 0.58 0.00 0.98 0.00 0.00 0.00 179.25 180.93 1j3c n TYR 76 N -4.29 -0.01 0.00 0.00 9.36 0.14 -4.34 117.16 118.04 1j3c n TYR 76 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 1j3c n TYR 76 Cb 0.20 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.91 1j3c n TYR 76 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1j3c n ARG 77 N 0.00 0.00 -3.49 2.98 1.74 -1.19 -4.60 116.66 112.10 1j3c n ARG 77 Ca 0.00 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.89 1j3c n ARG 77 Cb 0.00 0.00 0.08 0.00 -1.02 0.00 0.00 32.46 31.52 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 0.00 -1.86 0.81 7.54 0.00 -1.26 -5.18 120.51 120.56 1j3c n ALA 78 Ca 0.00 0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.57 1j3c n ALA 78 Cb 0.00 -3.07 0.08 0.00 0.00 0.00 0.00 19.45 16.46 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13