#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 3.90 1.14 2.12 3.01 -1.26 -4.93 119.74 123.72 1j3c s LYS 2 Ca 0.00 0.48 0.00 0.00 -1.01 0.00 0.00 55.97 55.44 1j3c s LYS 2 Cb 0.00 -2.52 0.00 0.00 -1.01 0.00 0.00 37.83 34.30 1j3c s LYS 2 CO 0.00 0.21 0.00 1.17 0.51 0.00 0.00 175.35 177.24 1j3c n LYS 3 N -0.36 -0.43 0.00 1.68 4.81 -1.26 -5.01 118.16 117.59 1j3c n LYS 3 Ca 0.02 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.74 1j3c n LYS 3 Cb 0.53 -0.52 0.00 0.00 0.02 0.00 0.00 35.03 35.06 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 -1.74 0.00 -3.67 1.64 5.02 -1.26 -5.07 118.16 113.08 1j3c n LYS 4 Ca 0.00 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 1j3c n LYS 4 Cb 0.10 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.09 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 0.75 -0.20 0.11 4.39 1.01 -1.26 -5.00 116.67 116.46 1j3c s ASP 5 Ca 0.00 -0.26 -0.12 0.00 0.71 0.00 0.00 52.55 52.88 1j3c s ASP 5 Cb 0.00 0.41 -0.14 0.00 1.01 0.00 0.00 42.92 44.20 1j3c s ASP 5 CO 0.00 -0.73 1.33 1.55 0.21 0.00 0.00 175.17 177.53 1j3c h PRO 6 N 2.00 0.82 0.00 8.23 0.13 -2.03 -3.14 132.00 138.01 1j3c h PRO 6 Ca -0.24 -0.63 0.00 0.00 -0.87 0.00 0.00 66.00 64.26 1j3c h PRO 6 Cb 1.23 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1j3c h PRO 6 CO 0.27 1.25 0.00 0.27 -0.23 0.00 0.00 178.00 179.56 1j3c n ASN 7 N -3.95 0.71 -4.74 1.44 0.23 -1.26 -4.74 115.26 102.95 1j3c n ASN 7 Ca -0.07 0.58 -0.36 0.00 -0.53 0.00 0.00 54.58 54.20 1j3c n ASN 7 Cb 0.72 -0.76 -0.07 0.00 -2.08 0.00 0.00 39.78 37.59 1j3c n ASN 7 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1j3c s ALA 8 N -3.11 3.62 -0.50 -2.53 0.00 -1.19 -5.02 121.76 113.03 1j3c s ALA 8 Ca 0.10 -0.49 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 1j3c s ALA 8 Cb 0.13 -2.34 -0.00 0.00 0.00 0.00 0.00 23.12 20.90 1j3c s ALA 8 CO 0.57 0.14 1.62 -1.25 0.00 0.00 0.00 175.76 176.84 1j3c s PRO 9 N 0.31 3.17 0.00 0.00 0.04 -1.26 -4.49 135.00 132.77 1j3c s PRO 9 Ca 0.16 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.98 1j3c s PRO 9 Cb -0.13 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1j3c s PRO 9 CO 0.03 -2.08 0.00 0.36 0.04 0.00 0.00 177.00 175.35 1j3c n LYS 10 N 8.67 -0.26 -1.80 4.56 2.85 -1.26 -4.89 118.16 126.03 1j3c n LYS 10 Ca 0.17 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 57.03 1j3c n LYS 10 Cb 0.49 0.00 0.01 0.00 -0.65 0.00 0.00 35.03 34.89 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 -1.43 3.77 0.09 -1.58 3.00 -1.26 -4.94 118.95 116.59 1j3c s ARG 11 Ca 0.00 2.45 -0.30 0.00 0.00 0.00 0.00 55.73 57.88 1j3c s ARG 11 Cb 0.00 -2.72 -0.06 0.00 0.00 0.00 0.00 34.95 32.18 1j3c s ARG 11 CO 0.00 -0.76 1.15 -1.25 0.00 0.00 0.00 175.30 174.44 1j3c s PRO 12 N -2.38 4.49 0.68 3.54 0.04 -1.26 -5.04 135.00 135.07 1j3c s PRO 12 Ca 0.59 1.72 -0.10 0.00 0.04 0.00 0.00 61.00 63.25 1j3c s PRO 12 Cb -0.44 -3.34 0.15 0.00 0.04 0.00 0.00 34.50 30.91 1j3c s PRO 12 CO 0.58 -0.15 0.93 -0.35 0.04 0.00 0.00 177.00 178.05 1j3c n PRO 13 N 3.50 -0.80 -2.71 0.56 -0.04 -1.26 -5.07 135.00 129.18 1j3c n PRO 13 Ca 0.07 -1.56 -0.07 0.00 -0.04 0.00 0.00 63.50 61.91 1j3c n PRO 13 Cb 0.47 -0.92 0.08 0.00 -0.04 0.00 0.00 33.50 33.09 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 -3.53 -2.12 0.00 3.54 2.88 -1.26 -4.82 113.62 108.31 1j3c n SER 14 Ca 0.12 -2.87 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 1j3c n SER 14 Cb 0.42 1.53 0.00 0.00 -0.75 0.00 0.00 64.21 65.41 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 1.03 0.00 -0.24 -1.46 0.00 -1.26 -4.08 120.51 114.51 1j3c n ALA 15 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.52 1j3c n ALA 15 Cb 0.69 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.29 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 0.12 -0.27 0.00 3.57 -1.96 0.31 116.94 118.71 1j3c h PHE 16 Ca 0.00 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1j3c h PHE 16 Cb 0.00 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1j3c h PHE 16 CO 0.00 -0.14 0.16 0.35 -2.23 0.00 0.00 178.31 176.45 1j3c h PHE 17 N 0.19 0.35 0.01 0.41 3.04 -1.95 -0.66 116.94 118.34 1j3c h PHE 17 Ca 0.39 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 62.13 1j3c h PHE 17 Cb 0.66 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 39.03 1j3c h PHE 17 CO -0.32 0.24 -0.99 -0.07 -2.02 0.00 0.00 178.31 175.15 1j3c h LEU 18 N 0.37 0.04 0.06 0.59 3.38 -0.81 -3.00 115.31 115.94 1j3c h LEU 18 Ca 0.10 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1j3c h LEU 18 Cb -0.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1j3c h LEU 18 CO -0.02 1.00 -0.03 0.15 0.09 0.00 0.00 178.44 179.63 1j3c h PHE 19 N 0.01 -0.07 -0.07 1.13 3.04 -0.21 -3.05 116.94 117.71 1j3c h PHE 19 Ca -0.02 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.95 1j3c h PHE 19 Cb 1.73 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 40.25 1j3c h PHE 19 CO 0.01 0.44 -0.04 0.00 -2.02 0.00 0.00 178.31 176.69 1j3c h SER 21 N -0.05 0.00 0.05 0.00 4.64 -1.67 0.04 113.55 116.55 1j3c h SER 21 Ca 0.04 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.16 1j3c h SER 21 Cb 0.11 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 1j3c h SER 21 CO -0.10 0.00 -2.17 -0.62 -0.87 0.00 0.00 176.83 173.07 1j3c n GLU 22 N -3.70 0.67 0.03 4.77 -0.58 -0.61 -4.48 120.64 116.75 1j3c n GLU 22 Ca -0.02 -0.07 -0.14 0.00 -0.42 0.00 0.00 57.16 56.50 1j3c n GLU 22 Cb 0.15 -1.54 -0.14 0.00 -0.57 0.00 0.00 31.44 29.34 1j3c n GLU 22 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 1j3c h TYR 23 N 0.00 0.30 -0.52 -0.32 -1.99 0.95 -3.37 116.97 112.02 1j3c h TYR 23 Ca -0.30 -0.22 0.09 0.00 2.00 0.00 0.00 58.73 60.31 1j3c h TYR 23 Cb 1.69 -0.01 -0.10 0.00 2.00 0.00 0.00 36.73 40.31 1j3c h TYR 23 CO 0.00 1.31 -0.34 0.00 -0.00 0.00 0.00 178.16 179.13 1j3c h ARG 24 N 0.04 -0.19 0.00 4.88 3.08 -1.21 0.32 114.38 121.30 1j3c h ARG 24 Ca -0.26 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1j3c h ARG 24 Cb 2.00 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 32.09 1j3c h ARG 24 CO 0.12 -0.13 -0.03 -1.00 -1.07 0.00 0.00 179.97 177.86 1j3c h PRO 25 N -0.20 0.00 -0.13 0.04 0.13 -1.81 -1.57 132.00 128.45 1j3c h PRO 25 Ca 0.21 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 1j3c h PRO 25 Cb 0.55 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 1j3c h PRO 25 CO -0.63 0.03 -0.13 -0.22 -0.23 0.00 0.00 178.00 176.82 1j3c h LYS 26 N 0.00 0.32 -0.22 0.86 3.11 -0.59 -2.89 116.57 117.16 1j3c h LYS 26 Ca -0.00 -0.17 0.06 0.00 -2.81 0.00 0.00 60.65 57.73 1j3c h LYS 26 Cb 0.08 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.31 1j3c h LYS 26 CO 0.00 0.72 0.17 0.82 -2.81 0.00 0.00 179.45 178.35 1j3c h ILE 27 N -0.06 0.85 -0.07 2.00 1.08 -0.18 -1.98 117.51 119.14 1j3c h ILE 27 Ca 0.02 0.00 -0.20 0.00 -0.39 0.00 0.00 64.86 64.29 1j3c h ILE 27 Cb 0.66 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.30 1j3c h ILE 27 CO 0.03 0.00 -0.79 0.11 -0.69 0.00 0.00 178.15 176.81 1j3c h LYS 28 N 0.00 0.49 0.00 2.37 1.79 -1.27 0.80 116.57 120.75 1j3c h LYS 28 Ca 0.11 -0.43 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 1j3c h LYS 28 Cb 0.44 0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1j3c h LYS 28 CO -0.00 1.07 0.00 1.03 -1.08 0.00 0.00 179.45 180.46 1j3c h SER 29 N 0.32 0.00 0.00 0.86 0.87 -1.21 -3.13 113.55 111.27 1j3c h SER 29 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1j3c h SER 29 Cb 1.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1j3c h SER 29 CO 0.14 0.00 -0.30 -0.62 -0.53 0.00 0.00 176.83 175.53 1j3c n GLU 30 N -2.95 5.05 -3.65 2.24 1.02 -1.14 -4.91 120.64 116.30 1j3c n GLU 30 Ca -0.00 -0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.84 1j3c n GLU 30 Cb 0.23 -0.67 -0.14 0.00 -0.02 0.00 0.00 31.44 30.84 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 -1.36 1.47 0.16 -0.32 3.76 0.28 -4.96 115.29 114.32 1j3c s HIS 31 Ca 0.00 -1.88 0.00 0.00 -0.15 0.00 0.00 55.06 53.03 1j3c s HIS 31 Cb 0.01 -1.54 -0.01 0.00 1.11 0.00 0.00 32.58 32.15 1j3c s HIS 31 CO 0.06 -0.83 1.37 -1.00 -0.85 0.00 0.00 174.74 173.49 1j3c h PRO 32 N 7.40 0.27 0.00 8.40 0.13 -1.80 -3.10 132.00 143.30 1j3c h PRO 32 Ca -0.05 -0.28 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 1j3c h PRO 32 Cb 0.97 0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 1j3c h PRO 32 CO 0.43 0.99 -0.09 0.78 -0.23 0.00 0.00 178.00 179.87 1j3c h GLY 33 N 1.63 0.00 -7.19 1.56 0.00 -1.93 -3.43 103.07 93.70 1j3c h GLY 33 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.07 1j3c h GLY 33 CO 0.14 0.00 1.08 -0.10 0.00 0.00 0.00 176.54 177.66 1j3c n LEU 34 N -3.15 0.32 -4.84 3.11 -0.00 -1.17 -4.90 117.00 106.37 1j3c n LEU 34 Ca 0.02 -0.94 -0.30 0.00 -0.00 0.00 0.00 56.01 54.80 1j3c n LEU 34 Cb 0.49 -1.13 0.08 0.00 -0.00 0.00 0.00 43.42 42.86 1j3c n LEU 34 CO 0.33 -1.96 0.73 -0.94 -0.00 0.00 0.00 177.39 175.56 1j3c s SER 35 N 6.14 4.79 0.57 1.96 1.04 -1.26 -4.59 113.70 122.35 1j3c s SER 35 Ca 1.13 1.17 0.29 0.00 0.48 0.00 0.00 55.95 59.02 1j3c s SER 35 Cb -0.51 -1.90 1.47 0.00 0.10 0.00 0.00 66.02 65.18 1j3c s SER 35 CO 0.33 -1.76 1.90 0.40 0.98 0.00 0.00 173.24 175.08 1j3c h ILE 36 N -0.95 0.45 0.78 -1.02 5.03 -1.97 0.69 117.51 120.51 1j3c h ILE 36 Ca -0.46 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 64.24 1j3c h ILE 36 Cb 1.27 0.61 0.01 0.00 -3.03 0.00 0.00 36.82 35.68 1j3c h ILE 36 CO 0.62 0.00 -0.37 1.23 -0.68 0.00 0.00 178.15 178.94 1j3c h GLY 37 N 0.00 -1.09 2.00 5.37 0.00 -1.98 -2.98 103.07 104.39 1j3c h GLY 37 Ca 0.28 0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.92 1j3c h GLY 37 CO -0.00 -0.40 -0.44 -1.80 0.00 0.00 0.00 176.54 173.90 1j3c h ASP 38 N -1.14 0.00 -0.64 0.19 3.58 -1.70 -2.98 116.42 113.72 1j3c h ASP 38 Ca -0.11 0.00 0.11 0.00 0.42 0.00 0.00 57.03 57.45 1j3c h ASP 38 Cb 0.80 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.77 1j3c h ASP 38 CO 0.18 0.44 0.23 0.74 -2.88 0.00 0.00 179.24 177.95 1j3c h THR 39 N 0.00 0.72 0.01 2.25 2.02 0.38 1.34 112.91 119.64 1j3c h THR 39 Ca -0.00 -0.14 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 1j3c h THR 39 Cb 1.18 0.29 0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1j3c h THR 39 CO 0.06 0.07 -0.64 0.00 0.37 0.00 0.00 175.52 175.38 1j3c h ALA 40 N 1.46 0.06 -0.25 6.16 0.00 -1.58 -2.93 119.26 122.19 1j3c h ALA 40 Ca 0.33 -0.59 0.07 0.00 0.00 0.00 0.00 54.91 54.72 1j3c h ALA 40 Cb 0.45 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1j3c h ALA 40 CO -0.35 0.37 0.18 -0.22 0.00 0.00 0.00 179.25 179.23 1j3c h LYS 41 N -0.10 0.04 -0.01 0.00 1.63 -1.17 0.75 116.57 117.71 1j3c h LYS 41 Ca -0.08 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1j3c h LYS 41 Cb 1.36 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.98 1j3c h LYS 41 CO 0.13 0.02 -0.12 1.17 -3.45 0.00 0.00 179.45 177.20 1j3c n LYS 42 N -4.47 1.08 -0.02 1.90 3.00 0.45 -3.36 118.16 116.74 1j3c n LYS 42 Ca 0.03 -0.55 -0.22 0.00 -0.00 0.00 0.00 58.31 57.57 1j3c n LYS 42 Cb 0.31 -1.49 -0.13 0.00 0.00 0.00 0.00 35.03 33.71 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 -0.48 2.42 0.10 3.14 4.77 0.24 -3.66 117.00 123.53 1j3c n LEU 43 Ca 0.16 0.27 -0.03 0.00 -0.03 0.00 0.00 56.01 56.38 1j3c n LEU 43 Cb 0.32 -1.08 0.17 0.00 -2.33 0.00 0.00 43.42 40.50 1j3c n LEU 43 CO 0.22 0.70 0.55 1.23 -1.33 0.00 0.00 177.39 178.76 1j3c h GLY 44 N 0.51 0.22 0.87 -0.72 0.00 -1.65 -1.56 103.07 100.74 1j3c h GLY 44 Ca -0.41 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1j3c h GLY 44 CO 0.01 0.22 -0.22 0.83 0.00 0.00 0.00 176.54 177.38 1j3c h GLU 45 N 0.16 -0.52 0.33 4.80 4.39 -1.70 0.43 114.58 122.47 1j3c h GLU 45 Ca 0.00 0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.72 1j3c h GLU 45 Cb 0.98 0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1j3c h GLU 45 CO 0.08 -0.35 -0.16 0.52 -1.16 0.00 0.00 179.01 177.94 1j3c h MET 46 N -0.54 -0.43 -0.07 2.33 2.86 -1.62 -0.01 114.93 117.45 1j3c h MET 46 Ca -0.03 0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1j3c h MET 46 Cb 0.46 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 1j3c h MET 46 CO 0.02 -0.13 -0.38 2.35 1.06 0.00 0.00 176.91 179.83 1j3c h TRP 47 N -0.74 -1.08 -0.40 -0.22 2.91 -1.24 -0.80 115.95 114.38 1j3c h TRP 47 Ca -0.05 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.00 1j3c h TRP 47 Cb 0.50 0.48 -0.02 0.00 -0.51 0.00 0.00 29.16 29.61 1j3c h TRP 47 CO 0.01 -0.46 0.18 1.03 -1.03 0.00 0.00 178.44 178.18 1j3c h SER 48 N -0.50 0.49 -0.89 2.65 0.87 -0.17 -2.27 113.55 113.74 1j3c h SER 48 Ca 0.07 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1j3c h SER 48 Cb 0.61 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 1j3c h SER 48 CO -0.34 0.43 0.48 -0.33 -0.53 0.00 0.00 176.83 176.53 1j3c h GLU 49 N 0.56 1.24 -7.08 2.24 5.08 0.34 -3.43 114.58 113.52 1j3c h GLU 49 Ca 0.14 -0.15 -0.54 0.00 -1.00 0.00 0.00 59.36 57.81 1j3c h GLU 49 Cb 0.07 -0.24 0.19 0.00 0.50 0.00 0.00 28.75 29.27 1j3c h GLU 49 CO -0.02 0.92 0.16 1.04 -1.00 0.00 0.00 179.01 180.10 1j3c n GLN 50 N -4.33 0.19 0.00 2.33 1.13 -0.45 -5.03 117.38 111.23 1j3c n GLN 50 Ca 0.09 0.13 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 1j3c n GLN 50 Cb 0.11 -2.30 0.00 0.00 0.11 0.00 0.00 30.24 28.15 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 -2.62 0.00 -2.36 1.08 2.88 -1.26 -4.91 113.62 106.43 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 0.50 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.87 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 6.45 0.00 -1.46 0.00 -1.26 -4.02 120.51 117.22 1j3c n ALA 52 Ca 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 53.44 50.76 1j3c n ALA 52 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.22 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 1.46 0.00 0.26 0.00 4.01 -1.26 -4.73 118.16 117.89 1j3c n LYS 53 Ca 0.48 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 58.36 1j3c n LYS 53 Cb 0.66 -0.61 0.65 0.00 -0.51 0.00 0.00 35.03 35.22 1j3c n LYS 53 CO 0.00 0.00 0.00 0.22 -1.11 0.00 0.00 177.40 176.51 1j3c h ASP 54 N 0.00 0.00 -0.53 4.39 3.58 -1.94 -1.51 116.42 120.40 1j3c h ASP 54 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1j3c h ASP 54 Cb 0.52 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.51 1j3c h ASP 54 CO 0.00 0.00 0.14 1.17 -2.88 0.00 0.00 179.24 177.67 1j3c n LYS 55 N -4.50 3.46 -0.08 0.28 4.81 -1.26 -4.02 118.16 116.85 1j3c n LYS 55 Ca -0.03 -2.40 -0.08 0.00 -0.87 0.00 0.00 58.31 54.93 1j3c n LYS 55 Cb 0.09 -2.04 -0.03 0.00 0.02 0.00 0.00 35.03 33.07 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 0.15 0.46 0.08 1.64 3.00 -0.57 -4.17 117.38 117.97 1j3c n GLN 56 Ca 0.28 0.18 -0.16 0.00 -0.01 0.00 0.00 57.00 57.29 1j3c n GLN 56 Cb 1.10 -1.31 -0.08 0.00 0.00 0.00 0.00 30.24 29.94 1j3c n GLN 56 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1j3c h PRO 57 N -0.88 0.45 0.00 -1.09 0.13 -1.78 -3.22 132.00 125.62 1j3c h PRO 57 Ca 0.00 -0.55 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1j3c h PRO 57 Cb 0.88 0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1j3c h PRO 57 CO 0.00 1.20 0.00 0.66 -0.23 0.00 0.00 178.00 179.63 1j3c n TYR 58 N -3.73 0.00 0.12 1.56 4.01 -1.26 -3.39 117.16 114.48 1j3c n TYR 58 Ca -0.09 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.76 1j3c n TYR 58 Cb 0.90 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.80 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 -0.82 0.58 0.17 -0.72 -0.00 -1.21 -4.01 120.64 114.62 1j3c n GLU 59 Ca 0.15 -0.13 0.05 0.00 -0.00 0.00 0.00 57.16 57.23 1j3c n GLU 59 Cb 0.07 -1.56 0.15 0.00 -0.00 0.00 0.00 31.44 30.10 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 -1.01 3.44 3.07 -1.69 -3.23 115.11 115.69 1j3c h GLN 60 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.75 1j3c h GLN 60 Cb 0.94 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.45 1j3c h GLN 60 CO 0.00 0.39 0.67 -0.22 0.09 0.00 0.00 178.83 179.75 1j3c h LYS 61 N 0.00 1.32 0.00 0.06 3.64 -1.75 0.20 116.57 120.04 1j3c h LYS 61 Ca -0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1j3c h LYS 61 Cb 1.18 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1j3c h LYS 61 CO 0.05 0.87 0.00 0.00 -2.27 0.00 0.00 179.45 178.10 1j3c n ALA 62 N -2.38 1.63 1.24 5.00 0.00 -1.22 -2.10 120.51 122.68 1j3c n ALA 62 Ca 0.12 -0.03 0.08 0.00 0.00 0.00 0.00 53.44 53.61 1j3c n ALA 62 Cb 0.02 -1.25 0.29 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.54 2.50 -0.08 0.00 0.00 0.06 -3.78 120.51 117.66 1j3c n ALA 63 Ca 0.03 -0.47 -0.10 0.00 0.00 0.00 0.00 53.44 52.90 1j3c n ALA 63 Cb 0.17 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 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 0.22 1.05 0.00 0.00 4.76 -0.89 -4.37 118.16 118.93 1j3c n LYS 64 Ca 0.13 0.05 0.15 0.00 -2.87 0.00 0.00 58.31 55.77 1j3c n LYS 64 Cb 0.27 -1.37 0.87 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 -2.79 0.00 0.03 -0.35 4.32 -1.25 -3.13 117.00 113.84 1j3c n LEU 65 Ca -0.28 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.70 1j3c n LEU 65 Cb 0.91 -0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.63 1j3c n LEU 65 CO 0.24 -0.00 -0.26 0.50 -1.22 0.00 0.00 177.39 176.66 1j3c h LYS 66 N 0.00 0.00 0.00 3.23 3.64 -1.76 -2.83 116.57 118.84 1j3c h LYS 66 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1j3c h LYS 66 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1j3c h LYS 66 CO 0.00 0.33 -0.26 0.93 -2.27 0.00 0.00 179.45 178.18 1j3c h GLU 67 N 0.00 0.00 0.00 1.90 5.08 -1.79 -3.00 114.58 116.77 1j3c h GLU 67 Ca -0.16 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 57.95 1j3c h GLU 67 Cb 1.61 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.81 1j3c h GLU 67 CO 0.05 0.00 -2.18 1.63 -1.00 0.00 0.00 179.01 177.51 1j3c n LYS 68 N -2.34 0.84 -0.05 2.33 5.02 -1.25 -3.95 118.16 118.76 1j3c n LYS 68 Ca 0.04 -0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 1j3c n LYS 68 Cb 0.45 -1.48 -0.11 0.00 -0.02 0.00 0.00 35.03 33.87 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 -0.02 0.00 2.13 5.03 -1.59 -0.36 116.97 122.15 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 1.81 0.01 0.00 0.00 1.55 0.00 0.00 36.73 40.10 1j3c h TYR 69 CO 0.00 0.74 0.00 0.39 -1.32 0.00 0.00 178.16 177.97 1j3c n GLU 70 N -4.70 0.17 -0.05 1.82 1.02 -1.13 -1.24 120.64 116.53 1j3c n GLU 70 Ca -0.09 0.16 -0.06 0.00 -0.02 0.00 0.00 57.16 57.16 1j3c n GLU 70 Cb 0.37 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 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 -1.34 1.61 0.00 3.49 5.02 -1.23 -4.54 118.16 121.17 1j3c n LYS 71 Ca 0.07 0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.30 1j3c n LYS 71 Cb 0.14 -1.24 -0.13 0.00 -0.02 0.00 0.00 35.03 33.77 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 0.00 0.54 4.39 1.82 -1.02 -3.33 116.42 118.82 1j3c h ASP 72 Ca -0.26 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.35 1j3c h ASP 72 Cb 1.52 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.53 1j3c h ASP 72 CO -0.01 0.99 -0.14 -0.29 -1.61 0.00 0.00 179.24 178.18 1j3c h ILE 73 N 0.00 0.53 -0.48 2.25 6.09 -1.34 -2.71 117.51 121.84 1j3c h ILE 73 Ca -0.21 -0.69 0.13 0.00 -1.37 0.00 0.00 64.86 62.73 1j3c h ILE 73 Cb 1.93 1.46 -0.02 0.00 0.47 0.00 0.00 36.82 40.67 1j3c h ILE 73 CO 0.09 0.14 0.34 0.00 -3.07 0.00 0.00 178.15 175.66 1j3c h ALA 74 N 1.86 2.38 0.00 0.18 0.00 -1.78 0.38 119.26 122.28 1j3c h ALA 74 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1j3c h ALA 74 Cb 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1j3c h ALA 74 CO 0.02 -0.51 -0.23 0.00 0.00 0.00 0.00 179.25 178.53 1j3c n ALA 75 N -2.61 2.80 -1.19 0.00 0.00 -1.02 -3.54 120.51 114.94 1j3c n ALA 75 Ca 0.08 -0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.26 1j3c n ALA 75 Cb 0.52 -1.32 0.24 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.62 1.98 0.00 0.00 9.36 0.13 -4.46 117.16 122.56 1j3c n TYR 76 Ca 0.06 -1.41 0.00 0.00 3.32 0.00 0.00 57.90 59.87 1j3c n TYR 76 Cb 0.35 -0.63 0.00 0.00 -0.63 0.00 0.00 39.34 38.43 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 -0.70 1.58 -3.25 2.98 1.74 -1.15 -5.06 116.66 112.80 1j3c n ARG 77 Ca 0.40 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.37 1j3c n ARG 77 Cb 1.28 -0.79 0.01 0.00 -1.02 0.00 0.00 32.46 31.93 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 -1.60 -2.65 0.68 7.54 0.00 -1.26 -5.16 120.51 118.07 1j3c n ALA 78 Ca 0.00 0.19 0.08 0.00 0.00 0.00 0.00 53.44 53.71 1j3c n ALA 78 Cb 0.29 -1.81 0.07 0.00 0.00 0.00 0.00 19.45 18.00 1j3c n ALA 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67