#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 0.51 0.00 2.12 5.02 -1.26 -5.08 118.16 119.47 1j3c n LYS 2 Ca 0.00 -2.14 0.00 0.00 -2.02 0.00 0.00 58.31 54.15 1j3c n LYS 2 Cb 0.00 -0.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 1j3c n LYS 2 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1j3c n LYS 3 N -0.21 0.50 0.00 1.97 4.81 -1.26 -5.09 118.16 118.89 1j3c n LYS 3 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 1j3c n LYS 3 Cb 0.89 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.94 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 -0.35 0.00 -2.98 1.64 5.02 -1.26 -5.16 118.16 115.07 1j3c n LYS 4 Ca 0.00 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 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 1.24 5.94 0.27 4.39 1.11 -1.26 -5.00 116.67 123.36 1j3c s ASP 5 Ca 0.00 0.41 0.11 0.00 0.18 0.00 0.00 52.55 53.25 1j3c s ASP 5 Cb 0.00 -1.71 0.34 0.00 1.07 0.00 0.00 42.92 42.62 1j3c s ASP 5 CO 0.00 -0.64 1.60 1.55 1.18 0.00 0.00 175.17 178.85 1j3c h PRO 6 N 0.40 0.00 -0.88 8.23 0.13 -2.06 -3.07 132.00 134.75 1j3c h PRO 6 Ca -0.47 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.22 1j3c h PRO 6 Cb 1.24 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.11 1j3c h PRO 6 CO 0.59 0.62 0.52 0.27 -0.23 0.00 0.00 178.00 179.77 1j3c n ASN 7 N -3.73 3.69 -4.80 1.44 6.94 -1.26 -4.95 115.26 112.59 1j3c n ASN 7 Ca -0.01 -3.59 -0.36 0.00 -0.02 0.00 0.00 54.58 50.60 1j3c n ASN 7 Cb 0.63 -0.80 -0.07 0.00 -2.36 0.00 0.00 39.78 37.18 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1j3c s ALA 8 N -3.26 3.77 -0.94 -2.53 0.00 -1.16 -4.94 121.76 112.70 1j3c s ALA 8 Ca 0.55 -0.67 -0.19 0.00 0.00 0.00 0.00 51.96 51.65 1j3c s ALA 8 Cb 0.47 -2.07 -0.11 0.00 0.00 0.00 0.00 23.12 21.41 1j3c s ALA 8 CO 0.10 0.38 2.01 -0.35 0.00 0.00 0.00 175.76 177.90 1j3c n PRO 9 N 2.78 1.86 0.00 0.00 -0.04 -1.26 -4.92 135.00 133.42 1j3c n PRO 9 Ca -0.18 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.28 1j3c n PRO 9 Cb 0.53 -2.98 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 1j3c n PRO 9 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1j3c n LYS 10 N 6.65 0.00 -4.14 0.54 4.01 -1.26 -4.72 118.16 119.24 1j3c n LYS 10 Ca 0.50 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 58.03 1j3c n LYS 10 Cb 0.39 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.84 1j3c n LYS 10 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1j3c s ARG 11 N 0.00 2.63 -0.29 1.97 3.00 -1.26 -5.06 118.95 119.93 1j3c s ARG 11 Ca 0.00 -0.97 -0.29 0.00 0.00 0.00 0.00 55.73 54.48 1j3c s ARG 11 Cb 0.00 -2.50 -0.01 0.00 0.00 0.00 0.00 34.95 32.44 1j3c s ARG 11 CO 0.00 0.48 1.45 -1.25 0.00 0.00 0.00 175.30 175.99 1j3c s PRO 12 N -2.89 3.79 0.81 3.54 0.04 -1.26 -5.01 135.00 134.02 1j3c s PRO 12 Ca 0.29 1.35 -0.10 0.00 0.04 0.00 0.00 61.00 62.58 1j3c s PRO 12 Cb -0.10 -3.97 0.11 0.00 0.04 0.00 0.00 34.50 30.58 1j3c s PRO 12 CO 0.20 -1.29 1.15 -1.25 0.04 0.00 0.00 177.00 175.86 1j3c s PRO 13 N 4.54 1.61 -0.42 0.56 0.04 -1.26 -5.05 135.00 135.01 1j3c s PRO 13 Ca 0.63 -0.29 0.05 0.00 0.04 0.00 0.00 61.00 61.43 1j3c s PRO 13 Cb -0.19 -2.03 0.30 0.00 0.04 0.00 0.00 34.50 32.62 1j3c s PRO 13 CO 0.27 -1.71 1.14 0.45 0.04 0.00 0.00 177.00 177.19 1j3c n SER 14 N -3.27 -2.12 0.00 6.66 2.88 -1.26 -4.87 113.62 111.63 1j3c n SER 14 Ca 0.11 -3.02 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 1j3c n SER 14 Cb 0.60 1.62 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 0.80 0.00 -0.21 -1.46 0.00 -1.25 -4.12 120.51 114.27 1j3c n ALA 15 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1j3c n ALA 15 Cb 0.70 0.00 0.08 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 -0.26 -0.63 0.00 3.57 -1.97 0.27 116.94 117.93 1j3c h PHE 16 Ca 0.00 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.58 1j3c h PHE 16 Cb 0.00 0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 1j3c h PHE 16 CO 0.00 -0.25 0.42 0.35 -2.23 0.00 0.00 178.31 176.60 1j3c h PHE 17 N 0.03 0.73 -0.03 0.41 3.04 -1.95 0.12 116.94 119.28 1j3c h PHE 17 Ca 0.31 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 62.11 1j3c h PHE 17 Cb 0.49 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1j3c h PHE 17 CO -0.48 0.43 -0.75 -0.07 -2.02 0.00 0.00 178.31 175.42 1j3c h LEU 18 N 0.76 0.25 0.01 0.59 3.38 -0.90 -2.65 115.31 116.76 1j3c h LEU 18 Ca 0.25 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1j3c h LEU 18 Cb 0.05 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1j3c h LEU 18 CO -0.07 0.91 -0.00 0.15 0.09 0.00 0.00 178.44 179.52 1j3c h PHE 19 N 0.13 -0.01 0.26 1.13 3.57 0.01 -3.15 116.94 118.88 1j3c h PHE 19 Ca -0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1j3c h PHE 19 Cb 1.33 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 1j3c h PHE 19 CO 0.02 0.46 -0.25 0.00 -2.23 0.00 0.00 178.31 176.31 1j3c h SER 21 N -0.54 0.00 0.00 0.00 0.87 -1.64 -1.26 113.55 110.98 1j3c h SER 21 Ca -0.01 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.37 1j3c h SER 21 Cb 0.50 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 1j3c h SER 21 CO -0.05 0.00 -2.14 -0.62 -0.53 0.00 0.00 176.83 173.49 1j3c n GLU 22 N -3.32 0.74 -0.43 2.24 -0.58 -0.56 -4.35 120.64 114.38 1j3c n GLU 22 Ca 0.00 -0.10 0.09 0.00 -0.42 0.00 0.00 57.16 56.73 1j3c n GLU 22 Cb 0.33 -1.50 0.29 0.00 -0.57 0.00 0.00 31.44 29.99 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 -2.47 1.06 -0.02 -0.32 4.02 0.29 -4.38 117.16 115.33 1j3c n TYR 23 Ca -0.18 -0.46 -0.21 0.00 -0.01 0.00 0.00 57.90 57.04 1j3c n TYR 23 Cb 0.84 -0.11 -0.13 0.00 -0.02 0.00 0.00 39.34 39.92 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 3.58 0.18 0.00 -0.72 3.08 -1.50 -3.33 114.38 115.67 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 1.06 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1j3c h ARG 24 CO 0.10 1.15 0.00 -1.00 -1.07 0.00 0.00 179.97 179.15 1j3c h PRO 25 N -0.45 0.00 0.01 0.04 0.13 -1.84 -2.63 132.00 127.25 1j3c h PRO 25 Ca -0.31 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1j3c h PRO 25 Cb 1.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.78 1j3c h PRO 25 CO -0.00 0.00 -0.00 -0.22 -0.23 0.00 0.00 178.00 177.55 1j3c h LYS 26 N 0.00 -0.01 -0.68 0.86 3.11 -1.81 -2.93 116.57 115.12 1j3c h LYS 26 Ca 0.00 0.00 0.15 0.00 -2.81 0.00 0.00 60.65 57.99 1j3c h LYS 26 Cb 0.26 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.45 1j3c h LYS 26 CO 0.00 0.63 0.46 0.82 -2.81 0.00 0.00 179.45 178.55 1j3c h ILE 27 N -0.65 0.79 -0.15 2.00 1.08 -1.58 -1.36 117.51 117.64 1j3c h ILE 27 Ca -0.00 -0.10 -0.18 0.00 -0.39 0.00 0.00 64.86 64.19 1j3c h ILE 27 Cb 0.64 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1j3c h ILE 27 CO 0.00 0.05 -0.64 0.11 -0.69 0.00 0.00 178.15 176.98 1j3c h LYS 28 N 0.30 0.56 0.00 2.37 1.79 -1.48 0.96 116.57 121.07 1j3c h LYS 28 Ca 0.33 -0.40 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1j3c h LYS 28 Cb 0.87 0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 31.58 1j3c h LYS 28 CO -0.08 1.02 -0.00 1.03 -1.08 0.00 0.00 179.45 180.34 1j3c h SER 29 N 0.41 0.00 0.00 0.86 0.87 -1.05 -3.04 113.55 111.60 1j3c h SER 29 Ca -0.01 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1j3c h SER 29 Cb 1.21 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 -1.26 -0.62 -0.53 0.00 0.00 176.83 174.54 1j3c n GLU 30 N -3.92 0.99 -3.96 2.24 -0.58 -1.14 -4.89 120.64 109.38 1j3c n GLU 30 Ca -0.03 -0.03 -0.30 0.00 -0.42 0.00 0.00 57.16 56.37 1j3c n GLU 30 Cb 0.08 -1.12 -0.15 0.00 -0.57 0.00 0.00 31.44 29.69 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 3.32 0.20 -0.32 3.76 0.33 -4.94 115.29 115.36 1j3c s HIS 31 Ca -0.02 -2.94 0.06 0.00 -0.15 0.00 0.00 55.06 52.01 1j3c s HIS 31 Cb 0.03 -2.75 0.10 0.00 1.11 0.00 0.00 32.58 31.07 1j3c s HIS 31 CO 0.21 -0.86 1.46 -1.00 -0.85 0.00 0.00 174.74 173.69 1j3c h PRO 32 N 7.22 0.09 0.00 8.40 0.13 -1.80 -3.07 132.00 142.96 1j3c h PRO 32 Ca -0.06 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1j3c h PRO 32 Cb 0.97 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1j3c h PRO 32 CO 0.57 0.83 -0.03 0.78 -0.23 0.00 0.00 178.00 179.92 1j3c h GLY 33 N 2.07 0.00 -7.14 1.56 0.00 -1.92 -3.42 103.07 94.21 1j3c h GLY 33 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1j3c h GLY 33 CO 0.11 0.00 0.05 1.04 0.00 0.00 0.00 176.54 177.74 1j3c n LEU 34 N -2.51 1.31 -4.64 3.11 7.99 -1.16 -4.91 117.00 116.19 1j3c n LEU 34 Ca 0.05 -2.19 -0.29 0.00 -0.01 0.00 0.00 56.01 53.57 1j3c n LEU 34 Cb 0.46 -1.67 0.20 0.00 -0.11 0.00 0.00 43.42 42.30 1j3c n LEU 34 CO 0.32 -3.35 0.63 -0.44 -1.51 0.00 0.00 177.39 173.03 1j3c s SER 35 N 8.81 1.95 0.55 -1.43 0.01 -1.26 -4.47 113.70 117.86 1j3c s SER 35 Ca 0.83 1.00 0.25 0.00 1.31 0.00 0.00 55.95 59.34 1j3c s SER 35 Cb -0.08 -1.54 1.46 0.00 0.21 0.00 0.00 66.02 66.08 1j3c s SER 35 CO 0.16 -3.53 2.05 0.40 0.41 0.00 0.00 173.24 172.73 1j3c h ILE 36 N -2.17 0.68 0.46 1.44 5.03 -1.96 0.51 117.51 121.50 1j3c h ILE 36 Ca -0.52 0.00 -0.02 0.00 -0.12 0.00 0.00 64.86 64.20 1j3c h ILE 36 Cb 1.32 0.81 0.00 0.00 -3.03 0.00 0.00 36.82 35.92 1j3c h ILE 36 CO 0.50 0.00 -0.22 1.23 -0.68 0.00 0.00 178.15 178.98 1j3c h GLY 37 N 0.00 -0.64 1.93 5.37 0.00 -1.97 -0.12 103.07 107.64 1j3c h GLY 37 Ca 0.15 0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.61 1j3c h GLY 37 CO -0.00 -0.23 -0.49 -1.80 0.00 0.00 0.00 176.54 174.01 1j3c h ASP 38 N -0.63 0.08 0.14 0.19 1.82 -1.82 -2.81 116.42 113.38 1j3c h ASP 38 Ca -0.06 -0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.50 1j3c h ASP 38 Cb 0.47 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.45 1j3c h ASP 38 CO 0.10 0.57 -0.17 0.74 -1.61 0.00 0.00 179.24 178.87 1j3c h THR 39 N 0.06 1.15 -0.01 2.25 2.02 0.05 0.65 112.91 119.09 1j3c h THR 39 Ca -0.00 -0.70 -0.18 0.00 0.77 0.00 0.00 66.41 66.30 1j3c h THR 39 Cb 0.90 1.30 0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1j3c h THR 39 CO 0.07 0.21 -0.69 0.00 0.37 0.00 0.00 175.52 175.47 1j3c h ALA 40 N 1.76 0.09 0.00 6.16 0.00 -0.75 -3.20 119.26 123.32 1j3c h ALA 40 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1j3c h ALA 40 Cb 0.35 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1j3c h ALA 40 CO 0.02 0.43 -0.39 0.36 0.00 0.00 0.00 179.25 179.67 1j3c n LYS 41 N -4.14 0.00 -0.05 0.00 2.85 -1.07 -4.06 118.16 111.69 1j3c n LYS 41 Ca -0.10 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.15 1j3c n LYS 41 Cb 0.72 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.59 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 0.00 -0.61 -1.58 1.63 0.25 -3.32 116.57 112.94 1j3c h LYS 42 Ca 0.00 0.00 0.18 0.00 -0.85 0.00 0.00 60.65 59.98 1j3c h LYS 42 Cb 0.50 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.11 1j3c h LYS 42 CO 0.00 0.00 0.67 -0.07 -3.45 0.00 0.00 179.45 176.60 1j3c h LEU 43 N -0.90 0.00 -0.85 5.20 3.38 -1.74 0.32 115.31 120.73 1j3c h LEU 43 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 1j3c h LEU 43 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1j3c h LEU 43 CO 0.00 0.00 -0.10 1.23 0.09 0.00 0.00 178.44 179.66 1j3c h GLY 44 N 0.00 0.81 0.30 0.83 0.00 -1.71 -2.56 103.07 100.74 1j3c h GLY 44 Ca 0.29 -0.60 0.21 0.00 0.00 0.00 0.00 47.33 47.23 1j3c h GLY 44 CO -0.00 0.55 0.60 -2.09 0.00 0.00 0.00 176.54 175.60 1j3c h GLU 45 N 0.68 0.37 0.14 4.80 4.81 -0.45 -1.82 114.58 123.10 1j3c h GLU 45 Ca 0.12 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 59.04 1j3c h GLU 45 Cb 0.57 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1j3c h GLU 45 CO 0.04 0.24 -1.42 0.52 -0.73 0.00 0.00 179.01 177.66 1j3c h MET 46 N 0.38 0.29 -0.96 1.92 2.86 -1.61 -3.07 114.93 114.72 1j3c h MET 46 Ca 0.47 -0.49 0.21 0.00 -2.06 0.00 0.00 59.70 57.83 1j3c h MET 46 Cb 1.21 0.18 -0.08 0.00 0.06 0.00 0.00 31.60 32.97 1j3c h MET 46 CO -0.17 1.23 0.62 2.35 1.06 0.00 0.00 176.91 182.01 1j3c h TRP 47 N -0.22 0.72 0.00 -0.22 2.91 -0.95 0.21 115.95 118.39 1j3c h TRP 47 Ca -0.29 0.02 -0.20 0.00 1.13 0.00 0.00 58.89 59.55 1j3c h TRP 47 Cb 1.82 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 30.22 1j3c h TRP 47 CO 0.13 0.16 -1.20 1.03 -1.03 0.00 0.00 178.44 177.52 1j3c h SER 48 N 0.51 0.00 -0.93 2.65 0.87 -1.54 -3.32 113.55 111.79 1j3c h SER 48 Ca 0.53 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 61.13 1j3c h SER 48 Cb 1.16 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 63.07 1j3c h SER 48 CO -0.26 0.78 0.61 -0.33 -0.53 0.00 0.00 176.83 177.10 1j3c h GLU 49 N 0.00 1.12 -7.34 2.24 4.39 -0.86 -3.42 114.58 110.71 1j3c h GLU 49 Ca -0.12 -0.07 -0.47 0.00 0.34 0.00 0.00 59.36 59.04 1j3c h GLU 49 Cb 1.70 -0.25 0.16 0.00 -0.10 0.00 0.00 28.75 30.26 1j3c h GLU 49 CO 0.08 0.74 0.21 -0.65 -1.16 0.00 0.00 179.01 178.23 1j3c s GLN 50 N -5.98 0.74 -0.28 2.33 -1.52 -1.00 -5.05 119.66 108.90 1j3c s GLN 50 Ca -0.12 0.68 -0.01 0.00 -1.95 0.00 0.00 55.36 53.96 1j3c s GLN 50 Cb 0.19 -1.76 0.13 0.00 -0.22 0.00 0.00 33.01 31.35 1j3c s GLN 50 CO 0.80 -2.56 0.28 -1.12 -0.25 0.00 0.00 175.29 172.44 1j3c s SER 51 N -3.39 1.74 -1.38 5.90 0.01 -1.26 -4.92 113.70 110.39 1j3c s SER 51 Ca 0.65 -0.71 -0.02 0.00 1.31 0.00 0.00 55.95 57.17 1j3c s SER 51 Cb -0.19 0.45 0.02 0.00 0.21 0.00 0.00 66.02 66.51 1j3c s SER 51 CO 0.58 -0.38 0.63 0.00 0.41 0.00 0.00 173.24 174.47 1j3c n ALA 52 N 5.31 -1.91 0.07 1.44 0.00 -1.26 -4.83 120.51 119.33 1j3c n ALA 52 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1j3c n ALA 52 Cb 0.46 -2.10 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1j3c n ALA 52 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1j3c n LYS 53 N -4.37 0.00 0.27 0.00 4.81 -1.26 -4.76 118.16 112.85 1j3c n LYS 53 Ca -0.25 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.31 1j3c n LYS 53 Cb 0.66 0.00 0.74 0.00 0.02 0.00 0.00 35.03 36.45 1j3c n LYS 53 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1j3c h ASP 54 N 0.00 0.00 0.61 3.14 3.58 -1.95 -2.71 116.42 119.08 1j3c h ASP 54 Ca 0.00 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.17 1j3c h ASP 54 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1j3c h ASP 54 CO 0.00 0.11 -1.28 0.11 -2.88 0.00 0.00 179.24 175.30 1j3c h LYS 55 N 0.00 0.28 -0.58 0.28 1.57 -1.94 -3.13 116.57 113.05 1j3c h LYS 55 Ca -0.00 -0.47 0.11 0.00 -1.87 0.00 0.00 60.65 58.41 1j3c h LYS 55 Cb 0.31 0.18 -0.11 0.00 0.08 0.00 0.00 32.23 32.68 1j3c h LYS 55 CO 0.01 1.22 -0.30 1.96 -0.57 0.00 0.00 179.45 181.77 1j3c h GLN 56 N 0.08 -0.14 0.11 3.15 1.08 -1.78 0.52 115.11 118.13 1j3c h GLN 56 Ca -0.15 0.01 -0.30 0.00 -1.45 0.00 0.00 58.65 56.76 1j3c h GLN 56 Cb 1.98 0.03 0.03 0.00 -0.05 0.00 0.00 27.48 29.47 1j3c h GLN 56 CO 0.20 -0.09 -1.23 -1.00 -0.95 0.00 0.00 178.83 175.76 1j3c h PRO 57 N -0.14 0.64 -0.00 1.46 0.13 -1.71 -3.27 132.00 129.11 1j3c h PRO 57 Ca 0.24 -0.84 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1j3c h PRO 57 Cb 0.53 0.27 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1j3c h PRO 57 CO -0.66 1.38 0.00 0.98 -0.23 0.00 0.00 178.00 179.47 1j3c n TYR 58 N -3.80 0.01 0.12 1.56 4.19 -0.87 -3.41 117.16 114.96 1j3c n TYR 58 Ca -0.14 -0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.18 1j3c n TYR 58 Cb 0.98 0.00 -0.16 0.00 0.49 0.00 0.00 39.34 40.65 1j3c n TYR 58 CO 0.00 0.00 0.00 -0.85 0.91 0.00 0.00 176.86 176.92 1j3c n GLU 59 N -0.71 0.58 0.09 2.98 -0.00 0.18 -3.94 120.64 119.82 1j3c n GLU 59 Ca 0.11 -0.17 -0.03 0.00 -0.00 0.00 0.00 57.16 57.07 1j3c n GLU 59 Cb 0.06 -1.51 -0.06 0.00 -0.00 0.00 0.00 31.44 29.93 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 -0.87 3.44 3.07 -1.69 -3.29 115.11 115.77 1j3c h GLN 60 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1j3c h GLN 60 Cb 0.92 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.44 1j3c h GLN 60 CO 0.00 0.81 0.56 -0.22 0.09 0.00 0.00 178.83 180.07 1j3c h LYS 61 N 0.00 1.16 0.00 0.06 3.64 -1.75 -0.60 116.57 119.07 1j3c h LYS 61 Ca -0.01 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1j3c h LYS 61 Cb 1.61 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1j3c h LYS 61 CO 0.10 0.78 0.00 0.00 -2.27 0.00 0.00 179.45 178.06 1j3c n ALA 62 N -2.35 1.60 1.05 5.00 0.00 -1.24 -2.06 120.51 122.51 1j3c n ALA 62 Ca 0.09 -0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.61 1j3c n ALA 62 Cb 0.03 -1.25 0.30 0.00 0.00 0.00 0.00 19.45 18.53 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 2.49 -0.08 0.00 0.00 -0.23 -3.93 120.51 117.19 1j3c n ALA 63 Ca 0.03 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.77 1j3c n ALA 63 Cb 0.17 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.48 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 0.46 0.84 0.00 0.00 4.76 -0.88 -4.39 118.16 118.95 1j3c n LYS 64 Ca 0.15 0.07 0.13 0.00 -2.87 0.00 0.00 58.31 55.80 1j3c n LYS 64 Cb 0.34 -1.36 0.80 0.00 -1.84 0.00 0.00 35.03 32.97 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 -2.87 0.00 0.06 -0.35 4.32 -1.24 -3.01 117.00 113.91 1j3c n LEU 65 Ca -0.29 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 55.76 1j3c n LEU 65 Cb 0.87 -0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.61 1j3c n LEU 65 CO 0.22 -0.00 -0.22 1.17 -1.22 0.00 0.00 177.39 177.33 1j3c n LYS 66 N -1.00 0.62 0.11 3.23 4.81 -1.25 -2.82 118.16 121.85 1j3c n LYS 66 Ca 0.20 0.13 0.12 0.00 -0.87 0.00 0.00 58.31 57.90 1j3c n LYS 66 Cb 0.09 -1.78 0.24 0.00 0.02 0.00 0.00 35.03 33.61 1j3c n LYS 66 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1j3c h GLU 67 N 0.00 0.00 0.00 1.64 5.08 -1.78 -2.99 114.58 116.53 1j3c h GLU 67 Ca -0.09 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.02 1j3c h GLU 67 Cb 1.29 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.50 1j3c h GLU 67 CO 0.02 0.00 -2.15 1.63 -1.00 0.00 0.00 179.01 177.51 1j3c n LYS 68 N -2.38 0.94 -0.05 2.33 4.01 -1.25 -4.20 118.16 117.56 1j3c n LYS 68 Ca 0.04 -0.05 -0.13 0.00 -0.51 0.00 0.00 58.31 57.66 1j3c n LYS 68 Cb 0.46 -1.46 -0.11 0.00 -0.51 0.00 0.00 35.03 33.41 1j3c n LYS 68 CO 0.00 0.00 0.00 -0.92 -1.11 0.00 0.00 177.40 175.37 1j3c h TYR 69 N 0.00 -0.01 0.00 2.13 5.03 -1.63 -0.40 116.97 122.09 1j3c h TYR 69 Ca -0.37 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.94 1j3c h TYR 69 Cb 1.82 0.00 0.00 0.00 1.55 0.00 0.00 36.73 40.10 1j3c h TYR 69 CO 0.00 0.80 0.00 0.93 -1.32 0.00 0.00 178.16 178.57 1j3c h GLU 70 N -0.92 0.00 0.00 1.82 5.08 -1.76 0.31 114.58 119.11 1j3c h GLU 70 Ca -0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 1j3c h GLU 70 Cb 0.82 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1j3c h GLU 70 CO 0.00 0.00 -1.89 1.63 -1.00 0.00 0.00 179.01 177.76 1j3c n LYS 71 N -2.37 1.83 0.02 2.33 5.02 -1.23 -4.41 118.16 119.35 1j3c n LYS 71 Ca -0.01 -0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.18 1j3c n LYS 71 Cb 0.05 -1.33 -0.13 0.00 -0.02 0.00 0.00 35.03 33.60 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 0.08 0.33 4.39 1.82 -0.63 -3.32 116.42 119.09 1j3c h ASP 72 Ca -0.35 -0.12 -0.06 0.00 -0.39 0.00 0.00 57.03 56.11 1j3c h ASP 72 Cb 1.78 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 41.76 1j3c h ASP 72 CO 0.02 1.10 -0.30 -0.29 -1.61 0.00 0.00 179.24 178.16 1j3c h ILE 73 N 0.01 1.17 -0.96 2.25 6.09 -0.59 -2.82 117.51 122.67 1j3c h ILE 73 Ca -0.20 -1.05 0.25 0.00 -1.37 0.00 0.00 64.86 62.49 1j3c h ILE 73 Cb 1.94 1.57 -0.06 0.00 0.47 0.00 0.00 36.82 40.75 1j3c h ILE 73 CO 0.11 0.30 0.66 0.00 -3.07 0.00 0.00 178.15 176.14 1j3c h ALA 74 N 1.70 2.56 0.00 0.18 0.00 -1.76 0.93 119.26 122.87 1j3c h ALA 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j3c h ALA 74 Cb 0.55 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1j3c h ALA 74 CO 0.04 -0.86 0.00 0.00 0.00 0.00 0.00 179.25 178.43 1j3c n ALA 75 N -2.61 2.15 0.71 0.00 0.00 -1.06 -1.86 120.51 117.83 1j3c n ALA 75 Ca 0.21 -0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1j3c n ALA 75 Cb 0.89 -1.39 0.03 0.00 0.00 0.00 0.00 19.45 18.99 1j3c n ALA 75 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1j3c n TYR 76 N -1.40 0.00 -0.00 0.00 9.36 0.32 -4.57 117.16 120.87 1j3c n TYR 76 Ca 0.08 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.30 1j3c n TYR 76 Cb 0.24 0.00 -0.00 0.00 -0.63 0.00 0.00 39.34 38.94 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 0.34 3.56 -3.21 2.98 1.74 -1.05 -5.08 116.66 115.93 1j3c n ARG 77 Ca 0.08 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.02 1j3c n ARG 77 Cb 0.38 -1.01 0.01 0.00 -1.02 0.00 0.00 32.46 30.82 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 -1.96 -2.68 0.38 7.54 0.00 -0.78 -5.12 120.51 117.89 1j3c n ALA 78 Ca -0.01 0.38 0.05 0.00 0.00 0.00 0.00 53.44 53.86 1j3c n ALA 78 Cb 0.46 -2.20 0.04 0.00 0.00 0.00 0.00 19.45 17.75 1j3c n ALA 78 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86