#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 4.16 -0.13 2.12 3.01 -1.26 -5.02 119.74 122.63 1j3c s LYS 2 Ca 0.00 0.54 -0.31 0.00 -1.01 0.00 0.00 55.97 55.19 1j3c s LYS 2 Cb 0.00 -3.60 0.13 0.00 -1.01 0.00 0.00 37.83 33.34 1j3c s LYS 2 CO 0.00 -0.29 1.04 0.21 0.51 0.00 0.00 175.35 176.82 1j3c s LYS 3 N 2.09 0.55 0.00 1.68 2.20 -1.26 -5.14 119.74 119.86 1j3c s LYS 3 Ca 0.27 -0.08 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 1j3c s LYS 3 Cb -0.16 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.42 1j3c s LYS 3 CO 0.09 -0.22 0.00 1.17 -0.36 0.00 0.00 175.35 176.04 1j3c n LYS 4 N 0.19 0.00 -1.81 4.03 4.81 -1.26 -5.12 118.16 119.00 1j3c n LYS 4 Ca -0.06 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.99 1j3c n LYS 4 Cb 0.59 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.67 1j3c n LYS 4 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1j3c s ASP 5 N 2.00 5.53 0.17 3.14 1.11 -1.26 -4.92 116.67 122.44 1j3c s ASP 5 Ca 0.00 2.80 0.01 0.00 0.18 0.00 0.00 52.55 55.54 1j3c s ASP 5 Cb 0.00 -2.64 0.04 0.00 1.07 0.00 0.00 42.92 41.39 1j3c s ASP 5 CO 0.00 -1.40 1.41 1.55 1.18 0.00 0.00 175.17 177.91 1j3c h PRO 6 N 1.80 0.29 0.00 8.23 0.13 -2.03 -3.17 132.00 137.25 1j3c h PRO 6 Ca -0.51 -0.27 -0.00 0.00 -0.87 0.00 0.00 66.00 64.35 1j3c h PRO 6 Cb 1.29 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.48 1j3c h PRO 6 CO 0.59 0.95 -0.02 -0.97 -0.23 0.00 0.00 178.00 178.32 1j3c h ASN 7 N 0.18 0.00 -3.30 1.44 -1.24 -2.08 -3.44 115.58 107.15 1j3c h ASN 7 Ca -0.04 0.00 -0.57 0.00 0.71 0.00 0.00 56.30 56.40 1j3c h ASN 7 Cb 1.40 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 40.40 1j3c h ASN 7 CO 0.13 0.02 -0.01 0.00 -1.29 0.00 0.00 177.43 176.28 1j3c s ALA 8 N -3.23 3.51 -0.66 1.57 0.00 -1.20 -4.99 121.76 116.75 1j3c s ALA 8 Ca 0.06 0.05 -0.27 0.00 0.00 0.00 0.00 51.96 51.81 1j3c s ALA 8 Cb 0.05 -2.73 -0.00 0.00 0.00 0.00 0.00 23.12 20.44 1j3c s ALA 8 CO 0.66 0.23 1.68 -1.25 0.00 0.00 0.00 175.76 177.08 1j3c s PRO 9 N -0.48 2.81 0.00 0.00 0.04 -1.26 -4.75 135.00 131.36 1j3c s PRO 9 Ca 0.31 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1j3c s PRO 9 Cb -0.19 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 30.01 1j3c s PRO 9 CO 0.18 -2.56 0.00 0.36 0.04 0.00 0.00 177.00 175.02 1j3c n LYS 10 N 9.24 -0.08 -1.99 4.56 2.85 -1.26 -4.87 118.16 126.61 1j3c n LYS 10 Ca 0.15 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 57.01 1j3c n LYS 10 Cb 0.51 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.88 1j3c n LYS 10 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1j3c s ARG 11 N -1.09 4.11 0.09 -1.58 3.00 -1.26 -4.96 118.95 117.27 1j3c s ARG 11 Ca 0.00 2.31 -0.30 0.00 0.00 0.00 0.00 55.73 57.74 1j3c s ARG 11 Cb 0.00 -2.91 -0.06 0.00 0.00 0.00 0.00 34.95 31.98 1j3c s ARG 11 CO 0.00 -0.43 1.13 -1.25 0.00 0.00 0.00 175.30 174.75 1j3c s PRO 12 N -2.07 4.51 0.12 3.54 0.04 -1.26 -5.04 135.00 134.84 1j3c s PRO 12 Ca 0.53 1.69 -0.02 0.00 0.04 0.00 0.00 61.00 63.25 1j3c s PRO 12 Cb -0.41 -3.34 0.03 0.00 0.04 0.00 0.00 34.50 30.81 1j3c s PRO 12 CO 0.55 -0.10 0.16 -0.35 0.04 0.00 0.00 177.00 177.30 1j3c n PRO 13 N 3.36 -0.09 -2.71 0.56 -0.04 -1.26 -5.07 135.00 129.74 1j3c n PRO 13 Ca 0.06 -0.26 -0.07 0.00 -0.04 0.00 0.00 63.50 63.19 1j3c n PRO 13 Cb 0.47 -0.16 0.09 0.00 -0.04 0.00 0.00 33.50 33.86 1j3c n PRO 13 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j3c n SER 14 N -3.09 -2.04 0.00 3.54 2.88 -1.26 -4.82 113.62 108.83 1j3c n SER 14 Ca 0.02 -2.93 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 1j3c n SER 14 Cb 0.07 1.57 0.00 0.00 -0.75 0.00 0.00 64.21 65.11 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 0.77 0.00 -0.22 -1.46 0.00 -1.26 -4.05 120.51 114.28 1j3c n ALA 15 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.48 1j3c n ALA 15 Cb 0.70 0.00 0.09 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 -0.21 -0.22 0.00 3.04 -1.97 0.41 116.94 118.00 1j3c h PHE 16 Ca 0.00 0.05 0.06 0.00 3.98 0.00 0.00 57.97 62.06 1j3c h PHE 16 Cb 0.00 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.69 1j3c h PHE 16 CO 0.00 -0.24 0.16 0.35 -2.02 0.00 0.00 178.31 176.55 1j3c h PHE 17 N 0.05 0.03 0.03 0.41 3.57 -1.95 -0.39 116.94 118.69 1j3c h PHE 17 Ca 0.33 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.61 1j3c h PHE 17 Cb 0.54 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1j3c h PHE 17 CO -0.46 0.02 -1.03 -0.07 -2.23 0.00 0.00 178.31 174.54 1j3c h LEU 18 N 0.03 0.15 0.02 0.59 3.38 -0.54 -2.99 115.31 115.95 1j3c h LEU 18 Ca 0.10 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1j3c h LEU 18 Cb 0.37 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1j3c h LEU 18 CO -0.00 1.08 -0.01 0.15 0.09 0.00 0.00 178.44 179.75 1j3c h PHE 19 N 0.04 -0.03 0.23 1.13 3.57 -0.03 -3.13 116.94 118.72 1j3c h PHE 19 Ca -0.05 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.46 1j3c h PHE 19 Cb 1.75 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.48 1j3c h PHE 19 CO 0.02 0.46 -0.26 0.00 -2.23 0.00 0.00 178.31 176.31 1j3c h SER 21 N -0.53 0.00 0.00 0.00 4.64 -1.69 -1.15 113.55 114.82 1j3c h SER 21 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 1j3c h SER 21 Cb 0.50 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.56 1j3c h SER 21 CO -0.07 0.00 -2.12 -0.62 -0.87 0.00 0.00 176.83 173.15 1j3c n GLU 22 N -3.18 0.75 -0.37 4.77 -0.58 -0.44 -4.35 120.64 117.24 1j3c n GLU 22 Ca -0.01 -0.10 0.09 0.00 -0.42 0.00 0.00 57.16 56.72 1j3c n GLU 22 Cb 0.30 -1.49 0.27 0.00 -0.57 0.00 0.00 31.44 29.95 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 -2.45 0.94 -0.02 -0.32 4.02 0.28 -4.36 117.16 115.25 1j3c n TYR 23 Ca -0.17 -0.42 -0.21 0.00 -0.01 0.00 0.00 57.90 57.09 1j3c n TYR 23 Cb 0.82 -0.08 -0.13 0.00 -0.02 0.00 0.00 39.34 39.93 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 3.36 0.17 0.00 -0.72 3.08 -1.54 -3.33 114.38 115.39 1j3c h ARG 24 Ca 0.00 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1j3c h ARG 24 Cb 0.94 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1j3c h ARG 24 CO 0.07 1.14 0.00 -1.00 -1.07 0.00 0.00 179.97 179.11 1j3c h PRO 25 N -0.47 0.00 -0.03 0.04 0.13 -1.84 -2.61 132.00 127.21 1j3c h PRO 25 Ca -0.31 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.79 1j3c h PRO 25 Cb 1.64 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.77 1j3c h PRO 25 CO -0.01 0.00 -0.07 -0.22 -0.23 0.00 0.00 178.00 177.47 1j3c h LYS 26 N 0.00 0.11 -0.56 0.86 3.11 -1.80 -2.82 116.57 115.47 1j3c h LYS 26 Ca 0.00 -0.07 0.09 0.00 -2.81 0.00 0.00 60.65 57.86 1j3c h LYS 26 Cb 0.29 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.49 1j3c h LYS 26 CO 0.00 0.66 0.38 0.82 -2.81 0.00 0.00 179.45 178.50 1j3c h ILE 27 N -0.43 0.91 -0.20 2.00 1.08 -1.58 -2.07 117.51 117.22 1j3c h ILE 27 Ca 0.00 -0.13 -0.19 0.00 -0.39 0.00 0.00 64.86 64.15 1j3c h ILE 27 Cb 0.66 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1j3c h ILE 27 CO 0.02 0.07 -0.63 0.11 -0.69 0.00 0.00 178.15 177.03 1j3c h LYS 28 N 0.39 0.72 -0.14 2.37 1.79 -1.46 0.96 116.57 121.20 1j3c h LYS 28 Ca 0.26 -0.51 0.04 0.00 -2.18 0.00 0.00 60.65 58.26 1j3c h LYS 28 Cb 0.50 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1j3c h LYS 28 CO -0.07 1.13 0.14 1.03 -1.08 0.00 0.00 179.45 180.60 1j3c h SER 29 N 0.53 0.00 0.00 0.86 0.87 -1.11 -2.90 113.55 111.80 1j3c h SER 29 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1j3c h SER 29 Cb 1.23 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.18 1j3c h SER 29 CO 0.13 0.00 -1.28 -0.62 -0.53 0.00 0.00 176.83 174.53 1j3c n GLU 30 N -3.93 0.97 -3.94 2.24 -0.58 -1.15 -4.89 120.64 109.35 1j3c n GLU 30 Ca 0.00 -0.04 -0.30 0.00 -0.42 0.00 0.00 57.16 56.40 1j3c n GLU 30 Cb 0.25 -1.13 -0.14 0.00 -0.57 0.00 0.00 31.44 29.85 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 -2.32 3.20 0.13 -0.32 3.76 0.33 -4.95 115.29 115.13 1j3c s HIS 31 Ca -0.02 -2.88 -0.05 0.00 -0.15 0.00 0.00 55.06 51.95 1j3c s HIS 31 Cb 0.03 -2.67 -0.08 0.00 1.11 0.00 0.00 32.58 30.97 1j3c s HIS 31 CO 0.23 -0.86 1.32 -1.00 -0.85 0.00 0.00 174.74 173.58 1j3c h PRO 32 N 7.20 0.46 0.00 8.40 0.13 -1.80 -3.11 132.00 143.27 1j3c h PRO 32 Ca -0.06 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1j3c h PRO 32 Cb 0.97 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1j3c h PRO 32 CO 0.57 1.11 0.00 0.78 -0.23 0.00 0.00 178.00 180.23 1j3c h GLY 33 N 1.14 0.00 -7.21 1.56 0.00 -1.92 -3.42 103.07 93.22 1j3c h GLY 33 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1j3c h GLY 33 CO 0.16 0.00 0.36 1.04 0.00 0.00 0.00 176.54 178.10 1j3c n LEU 34 N -2.75 0.97 -4.72 3.11 7.99 -1.18 -4.91 117.00 115.52 1j3c n LEU 34 Ca 0.03 -1.59 -0.29 0.00 -0.01 0.00 0.00 56.01 54.15 1j3c n LEU 34 Cb 0.39 -1.45 0.17 0.00 -0.11 0.00 0.00 43.42 42.42 1j3c n LEU 34 CO 0.29 -2.66 0.68 -0.55 -1.51 0.00 0.00 177.39 173.64 1j3c s SER 35 N 8.08 2.71 0.54 -1.43 0.15 -1.26 -4.51 113.70 117.98 1j3c s SER 35 Ca 0.90 0.95 0.25 0.00 0.70 0.00 0.00 55.95 58.75 1j3c s SER 35 Cb -0.21 -1.48 1.43 0.00 -1.71 0.00 0.00 66.02 64.04 1j3c s SER 35 CO 0.17 -3.05 2.04 0.40 1.20 0.00 0.00 173.24 174.00 1j3c h ILE 36 N -1.84 0.71 0.59 6.45 1.08 -1.95 0.62 117.51 123.17 1j3c h ILE 36 Ca -0.51 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.93 1j3c h ILE 36 Cb 1.32 0.79 0.01 0.00 -3.07 0.00 0.00 36.82 35.87 1j3c h ILE 36 CO 0.55 0.00 -0.29 1.23 -0.69 0.00 0.00 178.15 178.95 1j3c h GLY 37 N 0.00 -0.84 1.66 5.37 0.00 -1.97 0.23 103.07 107.52 1j3c h GLY 37 Ca 0.18 0.31 -0.16 0.00 0.00 0.00 0.00 47.33 47.66 1j3c h GLY 37 CO -0.00 -0.30 -0.62 -1.80 0.00 0.00 0.00 176.54 173.81 1j3c h ASP 38 N -0.80 0.39 -0.09 0.19 3.58 -1.82 -3.03 116.42 114.85 1j3c h ASP 38 Ca -0.08 -0.23 -0.05 0.00 0.42 0.00 0.00 57.03 57.09 1j3c h ASP 38 Cb 0.61 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1j3c h ASP 38 CO 0.13 0.92 -0.08 0.74 -2.88 0.00 0.00 179.24 178.07 1j3c h THR 39 N 0.25 1.19 -0.17 2.25 2.02 0.26 0.86 112.91 119.56 1j3c h THR 39 Ca -0.01 -0.79 -0.18 0.00 0.77 0.00 0.00 66.41 66.20 1j3c h THR 39 Cb 1.15 1.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.66 1j3c h THR 39 CO 0.10 0.26 -0.62 0.00 0.37 0.00 0.00 175.52 175.63 1j3c h ALA 40 N 1.58 0.59 -0.00 6.16 0.00 -0.43 -3.23 119.26 123.93 1j3c h ALA 40 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1j3c h ALA 40 Cb 0.36 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1j3c h ALA 40 CO 0.02 0.70 -0.78 0.36 0.00 0.00 0.00 179.25 179.55 1j3c n LYS 41 N -3.94 0.09 -0.12 0.00 2.85 -0.98 -4.07 118.16 112.00 1j3c n LYS 41 Ca -0.04 -0.07 0.08 0.00 -1.05 0.00 0.00 58.31 57.23 1j3c n LYS 41 Cb 0.65 -1.50 0.26 0.00 -0.65 0.00 0.00 35.03 33.79 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 -1.39 1.71 -0.07 -1.58 3.00 0.30 -3.79 118.16 116.33 1j3c n LYS 42 Ca 0.05 -1.09 -0.07 0.00 -0.00 0.00 0.00 58.31 57.19 1j3c n LYS 42 Cb 0.34 -1.32 -0.11 0.00 0.00 0.00 0.00 35.03 33.94 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 0.35 0.05 0.20 3.14 4.77 -1.24 -4.40 117.00 119.86 1j3c n LEU 43 Ca 0.13 -0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.15 1j3c n LEU 43 Cb 0.29 0.34 0.40 0.00 -2.33 0.00 0.00 43.42 42.13 1j3c n LEU 43 CO 0.10 0.37 0.75 1.23 -1.33 0.00 0.00 177.39 178.51 1j3c h GLY 44 N 2.85 0.00 0.51 -0.72 0.00 -1.77 -2.26 103.07 101.68 1j3c h GLY 44 Ca -0.40 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.02 1j3c h GLY 44 CO 0.02 0.00 0.35 -2.09 0.00 0.00 0.00 176.54 174.82 1j3c h GLU 45 N 0.00 0.58 0.07 4.80 4.81 -1.77 -0.54 114.58 122.54 1j3c h GLU 45 Ca -0.00 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.04 1j3c h GLU 45 Cb 0.64 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1j3c h GLU 45 CO 0.04 0.39 -0.72 0.52 -0.73 0.00 0.00 179.01 178.51 1j3c h MET 46 N 0.60 0.16 -0.11 1.92 2.86 -1.78 -2.69 114.93 115.89 1j3c h MET 46 Ca 0.34 -0.27 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1j3c h MET 46 Cb 0.33 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.09 1j3c h MET 46 CO -0.25 1.13 0.29 2.35 1.06 0.00 0.00 176.91 181.49 1j3c h TRP 47 N -0.63 0.00 0.01 -0.22 2.91 -1.24 -1.30 115.95 115.47 1j3c h TRP 47 Ca -0.15 0.00 -0.36 0.00 1.13 0.00 0.00 58.89 59.51 1j3c h TRP 47 Cb 1.42 0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 30.01 1j3c h TRP 47 CO 0.20 0.00 -2.26 0.45 -1.03 0.00 0.00 178.44 175.80 1j3c n SER 48 N -3.22 0.79 -0.11 2.65 2.88 -0.22 -4.30 113.62 112.08 1j3c n SER 48 Ca 0.00 0.06 -0.01 0.00 -1.33 0.00 0.00 58.87 57.59 1j3c n SER 48 Cb 0.38 0.33 0.24 0.00 -0.75 0.00 0.00 64.21 64.41 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 0.78 -7.15 -1.46 4.39 -0.90 -3.43 114.58 106.80 1j3c h GLU 49 Ca -0.50 -0.13 -0.53 0.00 0.34 0.00 0.00 59.36 58.54 1j3c h GLU 49 Cb 2.11 -0.13 0.19 0.00 -0.10 0.00 0.00 28.75 30.81 1j3c h GLU 49 CO 0.02 0.66 0.20 1.04 -1.16 0.00 0.00 179.01 179.77 1j3c n GLN 50 N -4.32 0.01 0.00 2.33 1.13 -0.89 -5.03 117.38 110.61 1j3c n GLN 50 Ca 0.04 0.08 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1j3c n GLN 50 Cb 0.18 -2.35 0.00 0.00 0.11 0.00 0.00 30.24 28.18 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 -3.19 0.00 -2.31 1.08 2.88 -1.26 -4.88 113.62 105.94 1j3c n SER 51 Ca 0.13 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.44 1j3c n SER 51 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 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 6.32 0.00 -1.46 0.00 -1.26 -4.04 120.51 117.07 1j3c n ALA 52 Ca 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 53.44 50.83 1j3c n ALA 52 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.32 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 1.28 0.00 -0.06 0.00 5.02 -1.26 -4.64 118.16 118.50 1j3c n LYS 53 Ca 0.46 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.89 1j3c n LYS 53 Cb 0.65 -0.82 0.56 0.00 -0.02 0.00 0.00 35.03 35.39 1j3c n LYS 53 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1j3c h ASP 54 N 0.00 0.26 -0.71 4.39 3.04 -1.93 -0.73 116.42 120.74 1j3c h ASP 54 Ca 0.00 0.01 -0.27 0.00 -3.24 0.00 0.00 57.03 53.52 1j3c h ASP 54 Cb 0.67 -0.05 -0.16 0.00 -1.04 0.00 0.00 39.33 38.75 1j3c h ASP 54 CO 0.00 0.15 0.30 1.17 -2.04 0.00 0.00 179.24 178.82 1j3c n LYS 55 N -4.45 2.97 -0.11 4.15 4.81 -1.26 -4.23 118.16 120.04 1j3c n LYS 55 Ca 0.10 -3.07 -0.19 0.00 -0.87 0.00 0.00 58.31 54.28 1j3c n LYS 55 Cb 0.44 -2.11 -0.07 0.00 0.02 0.00 0.00 35.03 33.31 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 -0.61 0.55 0.06 1.64 6.02 -0.28 -4.14 117.38 120.63 1j3c n GLN 56 Ca 0.43 0.27 -0.16 0.00 -0.01 0.00 0.00 57.00 57.53 1j3c n GLN 56 Cb 1.37 -1.49 -0.14 0.00 1.02 0.00 0.00 30.24 31.00 1j3c n GLN 56 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1j3c h PRO 57 N -1.00 0.23 -0.03 -1.09 0.13 -1.80 -3.31 132.00 125.13 1j3c h PRO 57 Ca -0.34 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 1j3c h PRO 57 Cb 1.27 0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.54 1j3c h PRO 57 CO -0.20 1.09 0.00 0.66 -0.23 0.00 0.00 178.00 179.32 1j3c n TYR 58 N -3.44 0.03 -0.00 1.56 4.01 -1.26 -3.50 117.16 114.56 1j3c n TYR 58 Ca -0.15 -0.02 0.05 0.00 -0.16 0.00 0.00 57.90 57.62 1j3c n TYR 58 Cb 1.04 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.94 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 -0.61 0.65 0.21 -0.72 -0.00 -1.24 -4.09 120.64 114.83 1j3c n GLU 59 Ca 0.14 -0.04 0.10 0.00 -0.00 0.00 0.00 57.16 57.36 1j3c n GLU 59 Cb 0.10 -1.62 0.31 0.00 -0.00 0.00 0.00 31.44 30.23 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 -0.79 3.44 3.07 -1.72 -3.20 115.11 115.90 1j3c h GLN 60 Ca -0.14 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.60 1j3c h GLN 60 Cb 1.35 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.87 1j3c h GLN 60 CO 0.01 0.21 0.47 -0.22 0.09 0.00 0.00 178.83 179.40 1j3c h LYS 61 N 0.00 1.08 0.00 0.06 3.64 -1.74 -0.87 116.57 118.73 1j3c h LYS 61 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1j3c h LYS 61 Cb 0.94 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1j3c h LYS 61 CO 0.03 0.76 0.00 0.00 -2.27 0.00 0.00 179.45 177.97 1j3c n ALA 62 N -2.35 1.78 1.29 5.00 0.00 -1.21 -2.33 120.51 122.69 1j3c n ALA 62 Ca 0.08 -0.02 0.08 0.00 0.00 0.00 0.00 53.44 53.58 1j3c n ALA 62 Cb 0.06 -1.31 0.32 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.58 2.51 -0.08 0.00 0.00 -0.33 -3.78 120.51 117.26 1j3c n ALA 63 Ca 0.04 -0.46 -0.09 0.00 0.00 0.00 0.00 53.44 52.93 1j3c n ALA 63 Cb 0.22 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 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 0.17 1.22 0.00 0.00 4.76 -0.98 -4.38 118.16 118.95 1j3c n LYS 64 Ca 0.14 0.04 0.15 0.00 -2.87 0.00 0.00 58.31 55.76 1j3c n LYS 64 Cb 0.26 -1.36 0.86 0.00 -1.84 0.00 0.00 35.03 32.96 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 -2.72 0.00 0.02 -0.35 4.32 -1.25 -3.23 117.00 113.79 1j3c n LEU 65 Ca -0.26 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.72 1j3c n LEU 65 Cb 0.91 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.62 1j3c n LEU 65 CO 0.25 0.00 -0.41 1.17 -1.22 0.00 0.00 177.39 177.19 1j3c n LYS 66 N -0.97 0.63 0.07 3.23 4.81 -1.25 -2.70 118.16 121.99 1j3c n LYS 66 Ca 0.22 0.18 0.12 0.00 -0.87 0.00 0.00 58.31 57.97 1j3c n LYS 66 Cb 0.10 -1.77 0.28 0.00 0.02 0.00 0.00 35.03 33.66 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 -2.85 0.26 -0.08 1.64 -0.58 -1.20 -2.98 120.64 114.84 1j3c n GLU 67 Ca -0.12 0.13 -0.08 0.00 -0.42 0.00 0.00 57.16 56.67 1j3c n GLU 67 Cb 0.86 -1.71 -0.14 0.00 -0.57 0.00 0.00 31.44 29.88 1j3c n GLU 67 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1j3c n LYS 68 N -2.12 1.17 0.00 3.49 5.02 -1.25 -3.97 118.16 120.51 1j3c n LYS 68 Ca 0.04 -0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 1j3c n LYS 68 Cb 0.43 -1.44 -0.09 0.00 -0.02 0.00 0.00 35.03 33.91 1j3c n LYS 68 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1j3c h TYR 69 N 0.00 -0.10 0.00 2.13 5.03 -1.63 0.90 116.97 123.30 1j3c h TYR 69 Ca -0.47 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.84 1j3c h TYR 69 Cb 2.06 0.03 0.00 0.00 1.55 0.00 0.00 36.73 40.37 1j3c h TYR 69 CO 0.00 0.45 0.00 0.39 -1.32 0.00 0.00 178.16 177.68 1j3c n GLU 70 N -4.82 0.05 -0.06 1.82 1.02 -1.16 -1.37 120.64 116.12 1j3c n GLU 70 Ca -0.08 0.24 -0.07 0.00 -0.02 0.00 0.00 57.16 57.23 1j3c n GLU 70 Cb 0.29 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.13 1j3c n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1j3c n LYS 71 N -1.45 1.51 0.02 3.49 5.02 -1.22 -4.56 118.16 120.97 1j3c n LYS 71 Ca 0.04 0.03 -0.14 0.00 -2.02 0.00 0.00 58.31 56.22 1j3c n LYS 71 Cb 0.15 -1.29 -0.14 0.00 -0.02 0.00 0.00 35.03 33.73 1j3c n LYS 71 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1j3c h ASP 72 N 0.00 0.22 0.33 4.39 1.82 -0.77 -3.33 116.42 119.08 1j3c h ASP 72 Ca -0.31 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 55.96 1j3c h ASP 72 Cb 1.62 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.55 1j3c h ASP 72 CO -0.01 1.32 0.00 -0.29 -1.61 0.00 0.00 179.24 178.66 1j3c h ILE 73 N 0.04 0.00 -0.09 2.25 6.09 -1.38 0.89 117.51 125.31 1j3c h ILE 73 Ca -0.27 -0.17 -0.02 0.00 -1.37 0.00 0.00 64.86 63.03 1j3c h ILE 73 Cb 2.00 1.16 -0.00 0.00 0.47 0.00 0.00 36.82 40.44 1j3c h ILE 73 CO 0.12 0.00 -0.04 0.00 -3.07 0.00 0.00 178.15 175.16 1j3c h ALA 74 N 2.00 0.13 0.00 0.18 0.00 -1.79 -2.79 119.26 117.00 1j3c h ALA 74 Ca 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 1j3c h ALA 74 Cb 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1j3c h ALA 74 CO 0.00 -0.12 -1.14 0.00 0.00 0.00 0.00 179.25 177.99 1j3c h ALA 75 N 0.65 0.62 0.00 0.00 0.00 -1.68 -3.31 119.26 115.54 1j3c h ALA 75 Ca 0.02 -0.87 -0.03 0.00 0.00 0.00 0.00 54.91 54.03 1j3c h ALA 75 Cb 0.47 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1j3c h ALA 75 CO 0.01 1.04 -0.12 -0.92 0.00 0.00 0.00 179.25 179.26 1j3c h TYR 76 N 0.00 0.00 0.00 0.00 3.20 -0.85 -3.28 116.97 116.04 1j3c h TYR 76 Ca -0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.76 1j3c h TYR 76 Cb 1.65 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.92 1j3c h TYR 76 CO 0.00 0.12 0.00 0.54 -1.64 0.00 0.00 178.16 177.18 1j3c n ARG 77 N -4.31 0.00 -2.50 1.82 1.74 -1.05 -5.04 116.66 107.32 1j3c n ARG 77 Ca -0.03 0.29 -0.03 0.00 -0.77 0.00 0.00 57.85 57.32 1j3c n ARG 77 Cb 0.19 -0.94 -0.02 0.00 -1.02 0.00 0.00 32.46 30.67 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 -1.38 -2.70 -0.48 7.54 0.00 -1.24 -5.14 120.51 117.11 1j3c n ALA 78 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 53.44 54.82 1j3c n ALA 78 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 19.45 16.48 1j3c n ALA 78 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86