#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 3.29 0.00 2.12 3.01 -1.26 -4.94 119.74 121.96 1j3c s LYS 2 Ca 0.00 -1.70 0.00 0.00 -1.01 0.00 0.00 55.97 53.26 1j3c s LYS 2 Cb 0.00 -4.44 0.00 0.00 -1.01 0.00 0.00 37.83 32.38 1j3c s LYS 2 CO 0.00 -1.52 0.00 1.17 0.51 0.00 0.00 175.35 175.51 1j3c n LYS 3 N 5.77 0.00 0.00 1.68 4.81 -1.26 -5.19 118.16 123.97 1j3c n LYS 3 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 1j3c n LYS 3 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 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 0.00 0.00 -2.13 1.64 5.02 -1.26 -5.14 118.16 116.29 1j3c n LYS 4 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1j3c n LYS 4 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 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 1.36 5.62 0.09 4.39 1.11 -1.26 -4.95 116.67 123.03 1j3c s ASP 5 Ca 0.00 2.34 -0.14 0.00 0.18 0.00 0.00 52.55 54.93 1j3c s ASP 5 Cb 0.00 -2.60 -0.15 0.00 1.07 0.00 0.00 42.92 41.24 1j3c s ASP 5 CO 0.00 -1.30 1.31 1.55 1.18 0.00 0.00 175.17 177.91 1j3c h PRO 6 N 1.35 0.75 0.00 8.23 0.13 -2.05 -3.06 132.00 137.35 1j3c h PRO 6 Ca -0.50 -0.59 0.00 0.00 -0.87 0.00 0.00 66.00 64.04 1j3c h PRO 6 Cb 1.27 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1j3c h PRO 6 CO 0.57 1.20 0.00 -1.71 -0.23 0.00 0.00 178.00 177.83 1j3c n ASN 7 N -4.02 0.00 -4.73 1.44 2.85 -1.26 -4.78 115.26 104.77 1j3c n ASN 7 Ca -0.07 -1.07 -0.37 0.00 -0.11 0.00 0.00 54.58 52.96 1j3c n ASN 7 Cb 0.69 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.65 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 -2.00 3.52 -0.97 5.20 0.00 -1.16 -5.00 121.76 121.35 1j3c s ALA 8 Ca 0.43 -0.28 -0.24 0.00 0.00 0.00 0.00 51.96 51.88 1j3c s ALA 8 Cb 0.20 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 1j3c s ALA 8 CO 0.33 0.04 1.75 -1.25 0.00 0.00 0.00 175.76 176.63 1j3c s PRO 9 N 0.53 3.00 -0.47 0.00 0.04 -1.26 -4.77 135.00 132.06 1j3c s PRO 9 Ca 0.23 -0.70 0.04 0.00 0.04 0.00 0.00 61.00 60.60 1j3c s PRO 9 Cb -0.14 -5.20 0.57 0.00 0.04 0.00 0.00 34.50 29.76 1j3c s PRO 9 CO 0.08 -2.92 1.81 0.36 0.04 0.00 0.00 177.00 176.38 1j3c n LYS 10 N 8.83 2.37 -3.15 4.56 2.85 -1.26 -4.81 118.16 127.55 1j3c n LYS 10 Ca 0.38 -3.20 0.05 0.00 -1.05 0.00 0.00 58.31 54.49 1j3c n LYS 10 Cb 0.48 -2.14 -0.00 0.00 -0.65 0.00 0.00 35.03 32.72 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 -3.45 0.29 -0.26 -1.58 6.06 -1.26 -5.12 118.95 113.63 1j3c s ARG 11 Ca 0.56 0.30 -0.29 0.00 -2.50 0.00 0.00 55.73 53.81 1j3c s ARG 11 Cb 0.47 0.14 -0.00 0.00 0.06 0.00 0.00 34.95 35.62 1j3c s ARG 11 CO 0.05 -0.53 1.31 -1.25 -2.50 0.00 0.00 175.30 172.38 1j3c s PRO 12 N 2.91 4.00 0.66 5.12 0.04 -1.26 -5.01 135.00 141.46 1j3c s PRO 12 Ca 0.20 1.39 -0.10 0.00 0.04 0.00 0.00 61.00 62.54 1j3c s PRO 12 Cb -0.05 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.64 1j3c s PRO 12 CO -0.23 -1.01 1.04 -1.25 0.04 0.00 0.00 177.00 175.58 1j3c s PRO 13 N 4.01 2.99 -0.43 0.56 0.04 -1.26 -5.01 135.00 135.90 1j3c s PRO 13 Ca 0.57 0.40 0.05 0.00 0.04 0.00 0.00 61.00 62.05 1j3c s PRO 13 Cb -0.19 -2.09 0.30 0.00 0.04 0.00 0.00 34.50 32.57 1j3c s PRO 13 CO 0.21 -0.88 1.15 0.45 0.04 0.00 0.00 177.00 177.97 1j3c n SER 14 N -2.86 -2.12 0.00 6.66 2.88 -1.26 -4.75 113.62 112.16 1j3c n SER 14 Ca 0.06 -3.09 0.00 0.00 -1.33 0.00 0.00 58.87 54.51 1j3c n SER 14 Cb 0.57 1.66 0.00 0.00 -0.75 0.00 0.00 64.21 65.68 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 0.69 0.00 -0.21 -1.46 0.00 -1.26 -4.04 120.51 114.23 1j3c n ALA 15 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 1j3c n ALA 15 Cb 0.70 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.34 -0.77 0.00 3.04 -1.96 0.19 116.94 117.09 1j3c h PHE 16 Ca 0.00 0.06 0.04 0.00 3.98 0.00 0.00 57.97 62.05 1j3c h PHE 16 Cb 0.00 0.25 -0.05 0.00 2.56 0.00 0.00 35.95 38.71 1j3c h PHE 16 CO 0.00 -0.27 0.51 0.74 -2.02 0.00 0.00 178.31 177.27 1j3c h PHE 17 N -0.01 0.89 -0.49 0.41 0.04 -1.95 0.24 116.94 116.07 1j3c h PHE 17 Ca 0.29 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.96 1j3c h PHE 17 Cb 0.45 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1j3c h PHE 17 CO -0.51 0.51 -0.19 -0.07 -0.60 0.00 0.00 178.31 177.44 1j3c h LEU 18 N 0.91 1.01 0.11 1.54 3.38 -1.00 -1.91 115.31 119.35 1j3c h LEU 18 Ca 0.32 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1j3c h LEU 18 Cb 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1j3c h LEU 18 CO -0.10 1.17 -0.05 0.15 0.09 0.00 0.00 178.44 179.70 1j3c h PHE 19 N 0.86 -0.13 -0.08 1.13 3.04 -0.34 -2.74 116.94 118.68 1j3c h PHE 19 Ca 0.12 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.08 1j3c h PHE 19 Cb 0.77 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.30 1j3c h PHE 19 CO 0.05 0.37 -0.05 0.00 -2.02 0.00 0.00 178.31 176.65 1j3c h SER 21 N -0.06 0.00 0.38 0.00 4.64 -1.45 0.13 113.55 117.18 1j3c h SER 21 Ca 0.05 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.24 1j3c h SER 21 Cb 0.13 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1j3c h SER 21 CO -0.11 0.01 -1.74 -0.62 -0.87 0.00 0.00 176.83 173.49 1j3c n GLU 22 N -4.09 0.65 -0.02 4.77 -0.58 -0.65 -4.40 120.64 116.31 1j3c n GLU 22 Ca -0.03 0.02 -0.13 0.00 -0.42 0.00 0.00 57.16 56.60 1j3c n GLU 22 Cb 0.09 -1.66 -0.14 0.00 -0.57 0.00 0.00 31.44 29.16 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 -2.62 0.95 -0.14 -0.32 4.02 0.23 -4.26 117.16 115.02 1j3c n TYR 23 Ca -0.11 0.28 -0.05 0.00 -0.01 0.00 0.00 57.90 58.01 1j3c n TYR 23 Cb 0.77 -1.15 0.01 0.00 -0.02 0.00 0.00 39.34 38.95 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 0.02 -0.15 -0.03 -0.72 3.08 -0.95 0.17 114.38 115.80 1j3c h ARG 24 Ca -0.37 0.01 0.01 0.00 0.07 0.00 0.00 59.98 59.70 1j3c h ARG 24 Cb 2.04 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 32.12 1j3c h ARG 24 CO 0.07 -0.10 0.02 -1.00 -1.07 0.00 0.00 179.97 177.89 1j3c h PRO 25 N -0.16 0.00 -0.26 0.04 0.13 -1.79 -0.88 132.00 129.08 1j3c h PRO 25 Ca 0.21 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.26 1j3c h PRO 25 Cb 0.49 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1j3c h PRO 25 CO -0.55 0.00 -0.15 -0.22 -0.23 0.00 0.00 178.00 176.85 1j3c h LYS 26 N 0.00 0.55 -0.14 0.86 3.11 -0.90 -2.80 116.57 117.26 1j3c h LYS 26 Ca 0.01 -0.25 0.01 0.00 -2.81 0.00 0.00 60.65 57.61 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 0.82 0.10 0.82 -2.81 0.00 0.00 179.45 178.38 1j3c h ILE 27 N 0.28 1.01 -0.16 2.00 1.08 -0.01 -2.51 117.51 119.20 1j3c h ILE 27 Ca 0.05 -0.05 -0.20 0.00 -0.39 0.00 0.00 64.86 64.27 1j3c h ILE 27 Cb 0.67 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.27 1j3c h ILE 27 CO 0.04 0.03 -0.70 0.11 -0.69 0.00 0.00 178.15 176.94 1j3c h LYS 28 N 0.15 0.69 -0.15 2.37 1.79 -1.17 0.94 116.57 121.19 1j3c h LYS 28 Ca 0.06 -0.52 0.04 0.00 -2.18 0.00 0.00 60.65 58.05 1j3c h LYS 28 Cb 0.05 0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 1j3c h LYS 28 CO -0.01 1.14 0.15 1.03 -1.08 0.00 0.00 179.45 180.68 1j3c h SER 29 N 0.49 0.00 0.00 0.86 0.87 -1.26 -2.93 113.55 111.58 1j3c h SER 29 Ca -0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1j3c h SER 29 Cb 1.30 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1j3c h SER 29 CO 0.14 0.00 -1.26 -0.62 -0.53 0.00 0.00 176.83 174.55 1j3c n GLU 30 N -3.95 1.03 -3.94 2.24 -0.58 -1.17 -4.89 120.64 109.38 1j3c n GLU 30 Ca 0.01 -0.03 -0.30 0.00 -0.42 0.00 0.00 57.16 56.41 1j3c n GLU 30 Cb 0.27 -1.12 -0.14 0.00 -0.57 0.00 0.00 31.44 29.87 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 -2.29 3.18 0.08 -0.32 3.76 0.33 -4.95 115.29 115.07 1j3c s HIS 31 Ca -0.02 -2.88 -0.14 0.00 -0.15 0.00 0.00 55.06 51.87 1j3c s HIS 31 Cb 0.03 -2.67 -0.21 0.00 1.11 0.00 0.00 32.58 30.84 1j3c s HIS 31 CO 0.21 -0.85 1.22 -1.00 -0.85 0.00 0.00 174.74 173.46 1j3c h PRO 32 N 7.19 0.70 0.00 8.40 0.13 -1.79 -3.12 132.00 143.51 1j3c h PRO 32 Ca -0.06 -0.70 0.00 0.00 -0.87 0.00 0.00 66.00 64.37 1j3c h PRO 32 Cb 0.97 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1j3c h PRO 32 CO 0.57 1.28 0.00 0.78 -0.23 0.00 0.00 178.00 180.40 1j3c h GLY 33 N 0.39 0.00 -7.18 1.56 0.00 -1.92 -3.41 103.07 92.50 1j3c h GLY 33 Ca -0.10 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1j3c h GLY 33 CO 0.18 0.00 0.26 1.04 0.00 0.00 0.00 176.54 178.02 1j3c n LEU 34 N -2.98 1.03 -4.73 3.11 7.99 -1.18 -4.91 117.00 115.33 1j3c n LEU 34 Ca 0.01 -1.80 -0.29 0.00 -0.01 0.00 0.00 56.01 53.92 1j3c n LEU 34 Cb 0.30 -1.51 0.19 0.00 -0.11 0.00 0.00 43.42 42.28 1j3c n LEU 34 CO 0.26 -2.87 0.70 -0.44 -1.51 0.00 0.00 177.39 173.53 1j3c s SER 35 N 8.18 2.35 0.45 -1.43 0.01 -1.26 -4.47 113.70 117.53 1j3c s SER 35 Ca 0.85 0.73 0.18 0.00 1.31 0.00 0.00 55.95 59.01 1j3c s SER 35 Cb -0.15 -1.09 1.13 0.00 0.21 0.00 0.00 66.02 66.12 1j3c s SER 35 CO 0.16 -3.25 1.94 0.40 0.41 0.00 0.00 173.24 172.90 1j3c h ILE 36 N -1.98 0.79 0.42 1.44 1.08 -1.95 0.69 117.51 118.00 1j3c h ILE 36 Ca -0.48 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 1j3c h ILE 36 Cb 1.30 0.44 -0.00 0.00 -3.07 0.00 0.00 36.82 35.49 1j3c h ILE 36 CO 0.46 0.06 -0.26 1.23 -0.69 0.00 0.00 178.15 178.96 1j3c h GLY 37 N 0.32 -0.83 1.47 5.37 0.00 -1.97 0.36 103.07 107.79 1j3c h GLY 37 Ca 0.34 0.34 -0.13 0.00 0.00 0.00 0.00 47.33 47.88 1j3c h GLY 37 CO -0.09 -0.29 -0.37 -0.55 0.00 0.00 0.00 176.54 175.25 1j3c h ASP 38 N -0.63 0.62 0.06 0.19 5.19 -1.82 -2.68 116.42 117.35 1j3c h ASP 38 Ca -0.06 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.06 1j3c h ASP 38 Cb 0.50 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 1j3c h ASP 38 CO 0.06 0.93 -0.10 0.74 -3.12 0.00 0.00 179.24 177.75 1j3c h THR 39 N 0.49 1.11 0.01 0.35 2.02 0.46 0.84 112.91 118.20 1j3c h THR 39 Ca 0.05 -0.48 -0.16 0.00 0.77 0.00 0.00 66.41 66.59 1j3c h THR 39 Cb 0.87 1.17 0.01 0.00 -1.74 0.00 0.00 68.15 68.46 1j3c h THR 39 CO 0.07 0.14 -0.62 0.00 0.37 0.00 0.00 175.52 175.49 1j3c h ALA 40 N 1.82 0.06 0.00 6.16 0.00 0.00 -3.31 119.26 123.99 1j3c h ALA 40 Ca 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1j3c h ALA 40 Cb 0.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1j3c h ALA 40 CO 0.01 0.35 -0.47 0.36 0.00 0.00 0.00 179.25 179.51 1j3c n LYS 41 N -4.21 0.24 -0.09 0.00 2.85 -1.04 -3.66 118.16 112.26 1j3c n LYS 41 Ca -0.11 0.10 0.07 0.00 -1.05 0.00 0.00 58.31 57.32 1j3c n LYS 41 Cb 0.69 -1.68 0.28 0.00 -0.65 0.00 0.00 35.03 33.67 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 -2.05 1.57 -0.08 -1.58 3.00 0.29 -3.70 118.16 115.60 1j3c n LYS 42 Ca 0.04 -0.87 -0.07 0.00 -0.00 0.00 0.00 58.31 57.41 1j3c n LYS 42 Cb 0.42 -1.29 -0.13 0.00 0.00 0.00 0.00 35.03 34.03 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 0.14 0.00 0.20 3.14 4.77 -1.24 -4.36 117.00 119.64 1j3c n LEU 43 Ca 0.12 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.14 1j3c n LEU 43 Cb 0.24 0.39 0.41 0.00 -2.33 0.00 0.00 43.42 42.13 1j3c n LEU 43 CO 0.09 0.39 0.77 1.23 -1.33 0.00 0.00 177.39 178.54 1j3c h GLY 44 N 3.22 0.00 0.24 -0.72 0.00 -1.73 -2.01 103.07 102.07 1j3c h GLY 44 Ca -0.42 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.03 1j3c h GLY 44 CO 0.02 0.00 0.32 -2.09 0.00 0.00 0.00 176.54 174.79 1j3c h GLU 45 N 0.00 0.48 0.14 4.80 4.81 -1.76 -0.50 114.58 122.55 1j3c h GLU 45 Ca -0.00 -0.03 -0.31 0.00 -0.13 0.00 0.00 59.36 58.89 1j3c h GLU 45 Cb 0.59 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1j3c h GLU 45 CO 0.04 0.31 -1.59 0.52 -0.73 0.00 0.00 179.01 177.57 1j3c h MET 46 N 0.49 0.30 -0.15 1.92 2.86 -1.78 -3.10 114.93 115.46 1j3c h MET 46 Ca 0.40 -0.51 0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1j3c h MET 46 Cb 0.55 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1j3c h MET 46 CO -0.36 1.24 0.27 2.35 1.06 0.00 0.00 176.91 181.47 1j3c h TRP 47 N -0.13 0.00 0.02 -0.22 2.91 -1.06 -1.01 115.95 116.46 1j3c h TRP 47 Ca -0.33 0.00 -0.34 0.00 1.13 0.00 0.00 58.89 59.35 1j3c h TRP 47 Cb 1.90 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 30.50 1j3c h TRP 47 CO 0.11 0.00 -2.07 0.45 -1.03 0.00 0.00 178.44 175.90 1j3c n SER 48 N -3.40 0.94 -0.15 2.65 2.88 -0.22 -4.20 113.62 112.12 1j3c n SER 48 Ca 0.01 0.18 -0.02 0.00 -1.33 0.00 0.00 58.87 57.71 1j3c n SER 48 Cb 0.38 0.10 0.21 0.00 -0.75 0.00 0.00 64.21 64.14 1j3c n SER 48 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1j3c h GLU 49 N 0.01 0.87 -7.22 -1.46 4.39 -1.12 -3.43 114.58 106.62 1j3c h GLU 49 Ca -0.43 -0.14 -0.53 0.00 0.34 0.00 0.00 59.36 58.61 1j3c h GLU 49 Cb 2.08 -0.15 0.16 0.00 -0.10 0.00 0.00 28.75 30.74 1j3c h GLU 49 CO 0.04 0.72 0.34 -0.65 -1.16 0.00 0.00 179.01 178.30 1j3c s GLN 50 N -5.39 1.90 0.00 2.33 -1.52 -0.84 -5.05 119.66 111.09 1j3c s GLN 50 Ca -0.10 1.61 0.00 0.00 -1.95 0.00 0.00 55.36 54.92 1j3c s GLN 50 Cb 0.16 -1.82 0.00 0.00 -0.22 0.00 0.00 33.01 31.13 1j3c s GLN 50 CO 0.79 -1.99 0.00 0.43 -0.25 0.00 0.00 175.29 174.28 1j3c n SER 51 N -3.19 0.11 -2.70 5.90 7.64 -1.26 -4.95 113.62 115.17 1j3c n SER 51 Ca 0.12 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.73 1j3c n SER 51 Cb 0.51 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.63 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 6.76 0.02 -0.43 0.00 -1.26 -4.08 120.51 118.51 1j3c n ALA 52 Ca 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 53.44 50.49 1j3c n ALA 52 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 16.84 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 2.19 0.00 0.20 0.00 5.02 -1.26 -4.60 118.16 119.72 1j3c n LYS 53 Ca 0.56 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.94 1j3c n LYS 53 Cb 0.54 -0.25 0.30 0.00 -0.02 0.00 0.00 35.03 35.60 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 0.13 4.39 3.58 -1.96 -3.31 116.42 119.24 1j3c h ASP 54 Ca 0.00 0.00 -0.36 0.00 0.42 0.00 0.00 57.03 57.09 1j3c h ASP 54 Cb 0.42 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1j3c h ASP 54 CO 0.00 0.26 -1.96 0.11 -2.88 0.00 0.00 179.24 174.77 1j3c h LYS 55 N 0.00 0.27 -0.69 0.28 6.56 -1.88 -3.31 116.57 117.81 1j3c h LYS 55 Ca -0.00 -0.46 0.10 0.00 -1.06 0.00 0.00 60.65 59.22 1j3c h LYS 55 Cb 0.96 0.17 -0.12 0.00 -0.57 0.00 0.00 32.23 32.68 1j3c h LYS 55 CO 0.03 1.22 -0.45 1.96 -2.06 0.00 0.00 179.45 180.16 1j3c h GLN 56 N 0.05 -0.16 -0.20 3.15 1.08 -1.81 0.97 115.11 118.18 1j3c h GLN 56 Ca -0.42 0.01 -0.15 0.00 -1.45 0.00 0.00 58.65 56.65 1j3c h GLN 56 Cb 2.02 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.48 1j3c h GLN 56 CO 0.09 -0.11 -0.49 -1.00 -0.95 0.00 0.00 178.83 176.37 1j3c h PRO 57 N -0.17 0.53 0.00 1.46 0.13 -1.78 -2.76 132.00 129.42 1j3c h PRO 57 Ca 0.20 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1j3c h PRO 57 Cb 0.55 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1j3c h PRO 57 CO -0.76 0.90 0.00 0.98 -0.23 0.00 0.00 178.00 178.89 1j3c n TYR 58 N -3.98 0.00 0.04 1.56 9.36 -0.26 -3.77 117.16 120.11 1j3c n TYR 58 Ca -0.02 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.14 1j3c n TYR 58 Cb 0.56 -0.49 -0.03 0.00 -0.63 0.00 0.00 39.34 38.75 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 -0.20 -0.89 2.98 4.39 0.12 -3.29 114.58 117.69 1j3c h GLU 59 Ca 0.00 0.01 0.26 0.00 0.34 0.00 0.00 59.36 59.97 1j3c h GLU 59 Cb 0.40 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1j3c h GLU 59 CO 0.00 -0.00 0.76 -0.56 -1.16 0.00 0.00 179.01 178.04 1j3c h GLN 60 N -1.03 0.00 0.23 2.33 3.07 -1.65 -1.20 115.11 116.86 1j3c h GLN 60 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.72 1j3c h GLN 60 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 1j3c h GLN 60 CO 0.03 0.00 -0.18 -0.22 0.09 0.00 0.00 178.83 178.55 1j3c h LYS 61 N 0.00 -0.40 0.00 0.06 3.64 -1.69 -1.16 116.57 117.02 1j3c h LYS 61 Ca 0.42 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1j3c h LYS 61 Cb 1.93 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 1j3c h LYS 61 CO -0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 179.45 176.91 1j3c n ALA 62 N -2.39 1.90 1.84 5.00 0.00 -0.48 -2.39 120.51 123.99 1j3c n ALA 62 Ca -0.09 -0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.44 1j3c n ALA 62 Cb 0.22 -1.32 0.82 0.00 0.00 0.00 0.00 19.45 19.17 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 2.66 -0.06 0.00 0.00 -0.45 -2.90 120.51 118.26 1j3c n ALA 63 Ca 0.05 -0.27 -0.04 0.00 0.00 0.00 0.00 53.44 53.17 1j3c n ALA 63 Cb 0.23 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.67 1.39 0.00 0.00 4.76 -1.00 -4.37 118.16 118.27 1j3c n LYS 64 Ca 0.22 -0.03 0.12 0.00 -2.87 0.00 0.00 58.31 55.75 1j3c n LYS 64 Cb 0.18 -1.38 0.30 0.00 -1.84 0.00 0.00 35.03 32.30 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 -2.45 0.44 0.08 -0.35 4.32 -1.23 -3.78 117.00 114.03 1j3c n LEU 65 Ca -0.20 0.10 -0.12 0.00 -0.02 0.00 0.00 56.01 55.77 1j3c n LEU 65 Cb 0.87 -0.29 -0.13 0.00 -1.62 0.00 0.00 43.42 42.26 1j3c n LEU 65 CO 0.32 0.09 0.00 0.50 -1.22 0.00 0.00 177.39 177.08 1j3c h LYS 66 N 0.00 0.15 0.60 3.23 1.63 -1.73 -2.82 116.57 117.63 1j3c h LYS 66 Ca 0.00 -0.25 -0.03 0.00 -0.85 0.00 0.00 60.65 59.52 1j3c h LYS 66 Cb 0.52 0.09 0.01 0.00 -0.60 0.00 0.00 32.23 32.25 1j3c h LYS 66 CO 0.00 1.10 -0.29 0.93 -3.45 0.00 0.00 179.45 177.74 1j3c h GLU 67 N 0.04 -0.78 -0.13 1.90 4.39 -1.76 -1.88 114.58 116.36 1j3c h GLU 67 Ca -0.09 0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.70 1j3c h GLU 67 Cb 1.89 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 30.71 1j3c h GLU 67 CO 0.17 -0.52 0.16 0.87 -1.16 0.00 0.00 179.01 178.53 1j3c h LYS 68 N -1.20 0.00 0.12 2.33 1.79 -1.70 0.38 116.57 118.29 1j3c h LYS 68 Ca -0.08 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1j3c h LYS 68 Cb 0.62 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1j3c h LYS 68 CO 0.14 0.00 -0.06 -0.92 -1.08 0.00 0.00 179.45 177.53 1j3c h TYR 69 N 0.00 -0.15 0.00 -1.35 3.20 -1.38 0.12 116.97 117.41 1j3c h TYR 69 Ca 0.06 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1j3c h TYR 69 Cb 0.38 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.70 1j3c h TYR 69 CO 0.00 -0.09 0.00 0.93 -1.64 0.00 0.00 178.16 177.36 1j3c h GLU 70 N -0.39 0.00 0.00 1.82 5.08 -1.18 0.34 114.58 120.26 1j3c h GLU 70 Ca -0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1j3c h GLU 70 Cb 0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1j3c h GLU 70 CO 0.03 0.00 -1.97 1.17 -1.00 0.00 0.00 179.01 177.24 1j3c n LYS 71 N -2.49 0.66 -0.08 2.33 4.81 0.11 -4.33 118.16 119.17 1j3c n LYS 71 Ca -0.01 -0.05 -0.08 0.00 -0.87 0.00 0.00 58.31 57.30 1j3c n LYS 71 Cb 0.07 -1.59 -0.13 0.00 0.02 0.00 0.00 35.03 33.41 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 -2.55 0.97 0.24 3.14 -0.08 0.03 -4.40 116.55 113.91 1j3c n ASP 72 Ca -0.14 -0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.23 1j3c n ASP 72 Cb 0.80 0.89 0.62 0.00 2.34 0.00 0.00 41.12 45.78 1j3c n ASP 72 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1j3c h ILE 73 N 0.00 0.85 0.42 5.18 6.09 -0.49 -0.57 117.51 128.99 1j3c h ILE 73 Ca -0.45 -0.56 -0.02 0.00 -1.37 0.00 0.00 64.86 62.47 1j3c h ILE 73 Cb 2.01 1.32 0.00 0.00 0.47 0.00 0.00 36.82 40.63 1j3c h ILE 73 CO 0.02 0.15 -0.20 0.00 -3.07 0.00 0.00 178.15 175.05 1j3c h ALA 74 N 1.85 -0.57 0.00 0.18 0.00 -1.76 -2.26 119.26 116.70 1j3c h ALA 74 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1j3c h ALA 74 Cb 0.31 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1j3c h ALA 74 CO 0.02 -0.64 -0.14 0.00 0.00 0.00 0.00 179.25 178.49 1j3c h ALA 75 N -0.57 1.21 -0.51 0.00 0.00 -1.74 -2.14 119.26 115.51 1j3c h ALA 75 Ca -0.06 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1j3c h ALA 75 Cb 0.56 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1j3c h ALA 75 CO 0.10 0.17 -0.16 -0.92 0.00 0.00 0.00 179.25 178.43 1j3c h TYR 76 N 0.00 1.15 -0.60 0.00 5.03 -0.96 -2.87 116.97 118.72 1j3c h TYR 76 Ca -0.00 -0.26 0.00 0.00 2.58 0.00 0.00 58.73 61.05 1j3c h TYR 76 Cb 0.42 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.42 1j3c h TYR 76 CO 0.00 1.08 0.00 0.54 -1.32 0.00 0.00 178.16 178.46 1j3c n ARG 77 N -4.13 2.65 -3.00 1.82 1.74 -0.86 -5.00 116.66 109.88 1j3c n ARG 77 Ca 0.01 -2.25 -0.09 0.00 -0.77 0.00 0.00 57.85 54.74 1j3c n ARG 77 Cb 0.43 -1.56 0.01 0.00 -1.02 0.00 0.00 32.46 30.32 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 1.19 -2.83 1.62 7.54 0.00 -0.84 -5.07 120.51 122.12 1j3c n ALA 78 Ca 0.21 0.55 0.14 0.00 0.00 0.00 0.00 53.44 54.34 1j3c n ALA 78 Cb 0.58 -1.89 0.63 0.00 0.00 0.00 0.00 19.45 18.77 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13