#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 0.75 -0.02 2.12 -0.14 -1.26 -5.17 119.74 116.02 1j3c s LYS 2 Ca 0.00 -0.40 -0.30 0.00 -1.36 0.00 0.00 55.97 53.92 1j3c s LYS 2 Cb 0.00 0.33 0.10 0.00 -1.68 0.00 0.00 37.83 36.58 1j3c s LYS 2 CO 0.00 -0.23 1.03 0.21 -0.76 0.00 0.00 175.35 175.60 1j3c s LYS 3 N -2.11 0.73 0.57 1.68 2.20 -1.26 -5.01 119.74 116.54 1j3c s LYS 3 Ca -0.08 -0.32 0.25 0.00 -0.36 0.00 0.00 55.97 55.46 1j3c s LYS 3 Cb -0.02 0.30 1.64 0.00 -1.51 0.00 0.00 37.83 38.24 1j3c s LYS 3 CO -0.01 -0.33 2.22 0.87 -0.36 0.00 0.00 175.35 177.75 1j3c h LYS 4 N 2.00 0.00 -3.48 4.03 1.57 -1.96 -3.48 116.57 115.24 1j3c h LYS 4 Ca -0.21 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 58.93 1j3c h LYS 4 Cb 1.22 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.35 1j3c h LYS 4 CO 0.28 0.00 -1.16 -0.25 -0.57 0.00 0.00 179.45 177.74 1j3c n ASP 5 N -4.08 -8.04 0.25 0.86 8.00 -1.26 -3.00 116.55 109.28 1j3c n ASP 5 Ca -0.03 1.33 0.15 0.00 0.71 0.00 0.00 54.79 56.95 1j3c n ASP 5 Cb 0.09 -4.91 0.53 0.00 -0.02 0.00 0.00 41.12 36.81 1j3c n ASP 5 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1j3c h PRO 6 N -1.44 0.00 0.00 -0.24 0.13 -1.98 -3.12 132.00 125.35 1j3c h PRO 6 Ca -0.17 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.77 1j3c h PRO 6 Cb 1.38 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.48 1j3c h PRO 6 CO 0.07 0.00 -0.94 -0.97 -0.23 0.00 0.00 178.00 175.93 1j3c h ASN 7 N 0.00 0.00 -1.71 1.44 -1.24 -1.99 -3.46 115.58 108.62 1j3c h ASN 7 Ca 0.00 0.00 -0.47 0.00 0.71 0.00 0.00 56.30 56.54 1j3c h ASN 7 Cb 0.63 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.74 1j3c h ASN 7 CO 0.00 0.94 -0.01 0.00 -1.29 0.00 0.00 177.43 177.07 1j3c s ALA 8 N -2.84 4.12 0.17 1.57 0.00 -1.16 -5.05 121.76 118.57 1j3c s ALA 8 Ca 0.01 -1.80 -0.30 0.00 0.00 0.00 0.00 51.96 49.87 1j3c s ALA 8 Cb 0.10 -1.81 -0.08 0.00 0.00 0.00 0.00 23.12 21.34 1j3c s ALA 8 CO 0.81 -1.07 1.16 -1.25 0.00 0.00 0.00 175.76 175.41 1j3c s PRO 9 N -4.87 4.52 0.00 0.00 0.04 -1.26 -4.81 135.00 128.61 1j3c s PRO 9 Ca 0.63 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.47 1j3c s PRO 9 Cb -0.07 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1j3c s PRO 9 CO 0.41 -0.04 0.00 0.36 0.04 0.00 0.00 177.00 177.76 1j3c n LYS 10 N 2.59 -0.33 -1.71 4.56 0.00 -1.26 -4.87 118.16 117.14 1j3c n LYS 10 Ca 0.04 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.96 1j3c n LYS 10 Cb 0.45 0.00 0.04 0.00 -0.00 0.00 0.00 35.03 35.52 1j3c n LYS 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1j3c n ARG 11 N -0.99 1.56 -2.41 -1.58 3.00 -1.26 -4.91 116.66 110.08 1j3c n ARG 11 Ca 0.00 0.58 -0.42 0.00 -0.01 0.00 0.00 57.85 57.99 1j3c n ARG 11 Cb 0.00 -2.46 -0.03 0.00 0.00 0.00 0.00 32.46 29.97 1j3c n ARG 11 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1j3c s PRO 12 N -2.76 4.34 0.86 5.56 0.04 -1.26 -5.02 135.00 136.75 1j3c s PRO 12 Ca 0.71 1.74 -0.12 0.00 0.04 0.00 0.00 61.00 63.37 1j3c s PRO 12 Cb -0.43 -3.56 0.14 0.00 0.04 0.00 0.00 34.50 30.69 1j3c s PRO 12 CO 0.50 -0.47 1.20 -1.25 0.04 0.00 0.00 177.00 177.02 1j3c s PRO 13 N 2.23 1.32 -0.40 0.56 0.04 -1.26 -5.05 135.00 132.45 1j3c s PRO 13 Ca 0.58 -0.34 0.02 0.00 0.04 0.00 0.00 61.00 61.29 1j3c s PRO 13 Cb -0.26 -1.98 0.27 0.00 0.04 0.00 0.00 34.50 32.57 1j3c s PRO 13 CO 0.23 -1.93 1.10 0.43 0.04 0.00 0.00 177.00 176.88 1j3c n SER 14 N -3.42 -1.97 0.00 6.66 7.64 -1.26 -4.80 113.62 116.47 1j3c n SER 14 Ca 0.12 -2.46 0.00 0.00 1.01 0.00 0.00 58.87 57.54 1j3c n SER 14 Cb 0.60 1.22 0.00 0.00 -1.01 0.00 0.00 64.21 65.03 1j3c n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1j3c n ALA 15 N 1.47 0.00 -0.23 -0.43 0.00 -1.25 -4.14 120.51 115.92 1j3c n ALA 15 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.51 1j3c n ALA 15 Cb 0.68 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.04 0.00 0.00 3.04 -1.96 0.51 116.94 118.48 1j3c h PHE 16 Ca 0.00 0.05 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1j3c h PHE 16 Cb 0.00 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 38.63 1j3c h PHE 16 CO 0.00 -0.20 -0.09 0.74 -2.02 0.00 0.00 178.31 176.74 1j3c h PHE 17 N 0.11 0.00 0.00 0.41 0.04 -1.95 -0.19 116.94 115.37 1j3c h PHE 17 Ca 0.37 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.91 1j3c h PHE 17 Cb 0.63 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.74 1j3c h PHE 17 CO -0.40 0.09 -1.21 -0.07 -0.60 0.00 0.00 178.31 176.12 1j3c h LEU 18 N 0.00 0.00 0.06 1.54 3.38 -0.52 -3.09 115.31 116.68 1j3c h LEU 18 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1j3c h LEU 18 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1j3c h LEU 18 CO 0.01 0.99 -0.03 0.15 0.09 0.00 0.00 178.44 179.65 1j3c h PHE 19 N 0.00 -0.07 0.01 1.13 3.04 0.29 -3.08 116.94 118.25 1j3c h PHE 19 Ca -0.09 -0.00 0.01 0.00 3.98 0.00 0.00 57.97 61.86 1j3c h PHE 19 Cb 1.84 0.02 -0.01 0.00 2.56 0.00 0.00 35.95 40.36 1j3c h PHE 19 CO 0.00 0.43 -0.06 0.00 -2.02 0.00 0.00 178.31 176.66 1j3c h SER 21 N -0.12 0.00 0.00 0.00 0.87 -1.69 0.12 113.55 112.73 1j3c h SER 21 Ca 0.02 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.46 1j3c h SER 21 Cb 0.15 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 1j3c h SER 21 CO -0.06 0.00 -2.05 -0.62 -0.53 0.00 0.00 176.83 173.57 1j3c n GLU 22 N -3.27 0.73 0.03 2.24 -0.58 -0.58 -4.48 120.64 114.72 1j3c n GLU 22 Ca -0.02 -0.12 -0.14 0.00 -0.42 0.00 0.00 57.16 56.46 1j3c n GLU 22 Cb 0.17 -1.48 -0.14 0.00 -0.57 0.00 0.00 31.44 29.42 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 0.26 -0.49 -0.32 -1.99 0.97 -3.37 116.97 112.03 1j3c h TYR 23 Ca -0.18 -0.19 0.10 0.00 2.00 0.00 0.00 58.73 60.46 1j3c h TYR 23 Cb 1.36 -0.01 -0.10 0.00 2.00 0.00 0.00 36.73 39.98 1j3c h TYR 23 CO 0.00 1.28 -0.24 0.00 -0.00 0.00 0.00 178.16 179.20 1j3c h ARG 24 N 0.04 -0.12 0.00 4.88 3.08 -1.22 0.27 114.38 121.30 1j3c h ARG 24 Ca -0.26 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 1j3c h ARG 24 Cb 1.99 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 32.07 1j3c h ARG 24 CO 0.12 -0.08 -0.01 -1.00 -1.07 0.00 0.00 179.97 177.93 1j3c h PRO 25 N -0.13 0.00 -0.13 0.04 0.13 -1.81 -1.13 132.00 128.97 1j3c h PRO 25 Ca 0.22 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.30 1j3c h PRO 25 Cb 0.48 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1j3c h PRO 25 CO -0.57 0.01 -0.12 -0.22 -0.23 0.00 0.00 178.00 176.87 1j3c h LYS 26 N 0.00 0.32 -0.44 0.86 3.11 -0.70 -2.85 116.57 116.88 1j3c h LYS 26 Ca -0.00 -0.17 0.10 0.00 -2.81 0.00 0.00 60.65 57.78 1j3c h LYS 26 Cb 0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 1j3c h LYS 26 CO 0.00 0.71 0.30 0.82 -2.81 0.00 0.00 179.45 178.47 1j3c h ILE 27 N -0.06 0.85 -0.14 2.00 1.08 0.16 -1.84 117.51 119.55 1j3c h ILE 27 Ca 0.02 -0.05 -0.20 0.00 -0.39 0.00 0.00 64.86 64.25 1j3c h ILE 27 Cb 0.65 0.70 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 1j3c h ILE 27 CO 0.03 0.02 -0.71 0.11 -0.69 0.00 0.00 178.15 176.92 1j3c h LYS 28 N 0.14 0.63 0.00 2.37 1.79 -1.19 0.87 116.57 121.17 1j3c h LYS 28 Ca 0.20 -0.48 -0.00 0.00 -2.18 0.00 0.00 60.65 58.19 1j3c h LYS 28 Cb 0.63 0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.38 1j3c h LYS 28 CO -0.03 1.10 -0.01 1.03 -1.08 0.00 0.00 179.45 180.47 1j3c h SER 29 N 0.44 0.00 0.00 0.86 0.87 -1.15 -3.00 113.55 111.57 1j3c h SER 29 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1j3c h SER 29 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1j3c h SER 29 CO 0.14 0.01 -0.82 -0.62 -0.53 0.00 0.00 176.83 175.01 1j3c n GLU 30 N -3.71 1.89 -3.80 2.24 -0.58 -1.16 -4.90 120.64 110.62 1j3c n GLU 30 Ca -0.03 -0.02 -0.30 0.00 -0.42 0.00 0.00 57.16 56.40 1j3c n GLU 30 Cb 0.10 -0.93 -0.14 0.00 -0.57 0.00 0.00 31.44 29.89 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 -1.90 2.33 0.14 -0.32 3.76 0.30 -4.96 115.29 114.63 1j3c s HIS 31 Ca -0.00 -2.37 -0.05 0.00 -0.15 0.00 0.00 55.06 52.49 1j3c s HIS 31 Cb 0.02 -2.11 -0.07 0.00 1.11 0.00 0.00 32.58 31.53 1j3c s HIS 31 CO 0.11 -0.84 1.33 -1.00 -0.85 0.00 0.00 174.74 173.49 1j3c h PRO 32 N 7.33 0.46 0.00 8.40 0.13 -1.80 -3.10 132.00 143.41 1j3c h PRO 32 Ca -0.07 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.51 1.10 0.00 0.78 -0.23 0.00 0.00 178.00 180.15 1j3c h GLY 33 N 1.15 0.00 -7.20 1.56 0.00 -1.93 -3.43 103.07 93.22 1j3c h GLY 33 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 1j3c h GLY 33 CO 0.16 0.00 0.57 1.04 0.00 0.00 0.00 176.54 178.31 1j3c n LEU 34 N -2.85 0.70 -4.65 3.11 7.99 -1.17 -4.91 117.00 115.23 1j3c n LEU 34 Ca 0.03 -1.38 -0.30 0.00 -0.01 0.00 0.00 56.01 54.35 1j3c n LEU 34 Cb 0.40 -1.33 0.22 0.00 -0.11 0.00 0.00 43.42 42.60 1j3c n LEU 34 CO 0.29 -2.42 0.65 -0.55 -1.51 0.00 0.00 177.39 173.86 1j3c s SER 35 N 7.24 1.53 0.41 -1.43 0.15 -1.26 -4.49 113.70 115.85 1j3c s SER 35 Ca 0.96 0.72 0.07 0.00 0.70 0.00 0.00 55.95 58.40 1j3c s SER 35 Cb -0.29 -1.04 0.86 0.00 -1.71 0.00 0.00 66.02 63.83 1j3c s SER 35 CO 0.21 -3.75 2.05 0.40 1.20 0.00 0.00 173.24 173.35 1j3c h ILE 36 N -2.33 1.09 0.72 6.45 5.03 -1.96 0.72 117.51 127.23 1j3c h ILE 36 Ca -0.47 -0.20 -0.03 0.00 -0.12 0.00 0.00 64.86 64.04 1j3c h ILE 36 Cb 1.30 0.47 -0.00 0.00 -3.03 0.00 0.00 36.82 35.56 1j3c h ILE 36 CO 0.40 0.10 -0.44 1.23 -0.68 0.00 0.00 178.15 178.76 1j3c h GLY 37 N 0.57 -1.21 1.33 5.37 0.00 -1.98 0.39 103.07 107.54 1j3c h GLY 37 Ca 0.17 0.49 -0.15 0.00 0.00 0.00 0.00 47.33 47.84 1j3c h GLY 37 CO -0.04 -0.42 -0.45 -1.80 0.00 0.00 0.00 176.54 173.83 1j3c h ASP 38 N -1.10 0.78 -0.02 0.19 3.58 -1.83 -2.59 116.42 115.44 1j3c h ASP 38 Ca -0.09 -0.38 -0.02 0.00 0.42 0.00 0.00 57.03 56.96 1j3c h ASP 38 Cb 0.88 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1j3c h ASP 38 CO 0.10 1.11 -0.03 0.74 -2.88 0.00 0.00 179.24 178.28 1j3c h THR 39 N 0.58 1.09 0.00 2.25 2.02 0.61 0.86 112.91 120.32 1j3c h THR 39 Ca 0.04 -0.34 -0.19 0.00 0.77 0.00 0.00 66.41 66.68 1j3c h THR 39 Cb 1.01 1.05 0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1j3c h THR 39 CO 0.10 0.11 -0.73 0.00 0.37 0.00 0.00 175.52 175.36 1j3c h ALA 40 N 1.84 0.09 0.00 6.16 0.00 -0.00 -3.31 119.26 124.04 1j3c h ALA 40 Ca 0.03 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1j3c h ALA 40 Cb 0.15 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1j3c h ALA 40 CO 0.01 0.45 -0.61 0.36 0.00 0.00 0.00 179.25 179.45 1j3c n LYS 41 N -4.11 0.18 -0.10 0.00 2.85 -1.00 -3.83 118.16 112.15 1j3c n LYS 41 Ca -0.11 0.04 0.09 0.00 -1.05 0.00 0.00 58.31 57.29 1j3c n LYS 41 Cb 0.74 -1.60 0.33 0.00 -0.65 0.00 0.00 35.03 33.84 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 -1.86 1.70 -0.06 -1.58 3.00 0.29 -3.86 118.16 115.79 1j3c n LYS 42 Ca 0.04 -1.06 -0.07 0.00 -0.00 0.00 0.00 58.31 57.22 1j3c n LYS 42 Cb 0.40 -1.36 -0.09 0.00 0.00 0.00 0.00 35.03 33.98 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 0.30 0.37 0.13 3.14 4.77 -1.25 -4.47 117.00 119.99 1j3c n LEU 43 Ca 0.15 -0.01 0.03 0.00 -0.03 0.00 0.00 56.01 56.15 1j3c n LEU 43 Cb 0.30 0.20 0.42 0.00 -2.33 0.00 0.00 43.42 42.01 1j3c n LEU 43 CO 0.12 0.36 0.93 1.23 -1.33 0.00 0.00 177.39 178.69 1j3c h GLY 44 N 2.27 0.24 0.92 -0.72 0.00 -1.72 -2.21 103.07 101.85 1j3c h GLY 44 Ca -0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1j3c h GLY 44 CO 0.01 0.13 -0.17 -2.09 0.00 0.00 0.00 176.54 174.42 1j3c h GLU 45 N 0.22 -0.46 0.00 4.80 4.81 -1.78 -0.09 114.58 122.07 1j3c h GLU 45 Ca 0.05 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1j3c h GLU 45 Cb 0.30 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 1j3c h GLU 45 CO 0.02 -0.25 -0.07 0.52 -0.73 0.00 0.00 179.01 178.49 1j3c h MET 46 N -0.57 0.00 0.12 1.92 2.86 -1.74 -0.60 114.93 116.92 1j3c h MET 46 Ca -0.05 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.30 1j3c h MET 46 Cb 0.42 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.11 1j3c h MET 46 CO 0.08 0.07 -1.24 2.35 1.06 0.00 0.00 176.91 179.23 1j3c h TRP 47 N 0.00 0.91 0.00 -0.22 2.91 -0.87 -3.08 115.95 115.61 1j3c h TRP 47 Ca -0.00 -0.59 -0.11 0.00 1.13 0.00 0.00 58.89 59.33 1j3c h TRP 47 Cb 0.27 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 28.83 1j3c h TRP 47 CO 0.00 1.43 -0.52 0.77 -1.03 0.00 0.00 178.44 179.09 1j3c h SER 48 N 0.24 0.00 -0.22 2.65 0.02 -0.60 -3.30 113.55 112.34 1j3c h SER 48 Ca -0.18 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 1j3c h SER 48 Cb 1.92 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.45 1j3c h SER 48 CO 0.23 0.51 -0.27 -0.33 -1.14 0.00 0.00 176.83 175.83 1j3c h GLU 49 N 0.00 0.57 -6.96 3.45 4.39 -1.19 -3.44 114.58 111.40 1j3c h GLU 49 Ca -0.01 -0.32 -0.55 0.00 0.34 0.00 0.00 59.36 58.83 1j3c h GLU 49 Cb 1.39 0.02 0.18 0.00 -0.10 0.00 0.00 28.75 30.24 1j3c h GLU 49 CO 0.07 0.92 0.04 1.04 -1.16 0.00 0.00 179.01 179.91 1j3c n GLN 50 N -4.35 0.34 0.00 2.33 1.13 -1.16 -5.03 117.38 110.64 1j3c n GLN 50 Ca -0.05 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.19 1j3c n GLN 50 Cb 0.45 -2.20 0.00 0.00 0.11 0.00 0.00 30.24 28.61 1j3c n GLN 50 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1j3c n SER 51 N -1.85 0.00 -2.11 1.08 7.64 -1.26 -4.93 113.62 112.18 1j3c n SER 51 Ca 0.12 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.77 1j3c n SER 51 Cb 0.50 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.73 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 5.63 -0.00 -0.43 0.00 -1.26 -4.24 120.51 117.21 1j3c n ALA 52 Ca 0.00 -2.33 -0.01 0.00 0.00 0.00 0.00 53.44 51.10 1j3c n ALA 52 Cb 0.00 -1.60 -0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 0.13 0.02 0.27 0.00 4.01 -1.26 -4.39 118.16 116.93 1j3c n LYS 53 Ca 0.41 0.01 0.11 0.00 -0.51 0.00 0.00 58.31 58.32 1j3c n LYS 53 Cb 0.58 -0.57 0.72 0.00 -0.51 0.00 0.00 35.03 35.25 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 -0.02 0.00 0.58 4.39 1.82 -1.96 -2.47 116.42 118.76 1j3c h ASP 54 Ca -0.02 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.34 1j3c h ASP 54 Cb 1.02 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.02 1j3c h ASP 54 CO -0.01 0.06 -1.39 0.50 -1.61 0.00 0.00 179.24 176.79 1j3c h LYS 55 N 0.00 0.21 -0.78 0.28 3.64 -1.84 -3.25 116.57 114.83 1j3c h LYS 55 Ca -0.00 -0.35 0.14 0.00 -1.27 0.00 0.00 60.65 59.16 1j3c h LYS 55 Cb 0.13 0.13 -0.14 0.00 -0.41 0.00 0.00 32.23 31.94 1j3c h LYS 55 CO 0.01 1.09 -0.32 1.96 -2.27 0.00 0.00 179.45 179.91 1j3c h GLN 56 N 0.06 -0.07 0.13 1.90 4.20 -1.64 1.12 115.11 120.80 1j3c h GLN 56 Ca -0.18 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.25 1j3c h GLN 56 Cb 1.97 0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.78 1j3c h GLN 56 CO 0.16 -0.05 -1.24 -1.00 -0.67 0.00 0.00 178.83 176.04 1j3c h PRO 57 N -0.07 0.38 -0.01 1.46 0.13 -1.73 -3.30 132.00 128.86 1j3c h PRO 57 Ca 0.31 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1j3c h PRO 57 Cb 0.58 0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1j3c h PRO 57 CO -0.82 1.26 0.00 0.98 -0.23 0.00 0.00 178.00 179.18 1j3c n TYR 58 N -3.63 0.00 -0.04 1.56 4.19 -0.61 -3.82 117.16 114.81 1j3c n TYR 58 Ca -0.10 -0.00 -0.00 0.00 3.31 0.00 0.00 57.90 61.11 1j3c n TYR 58 Cb 1.01 0.00 -0.15 0.00 0.49 0.00 0.00 39.34 40.69 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 -0.39 0.66 0.23 2.98 -0.00 0.38 -3.95 120.64 120.56 1j3c n GLU 59 Ca 0.21 -0.03 0.13 0.00 -0.00 0.00 0.00 57.16 57.47 1j3c n GLU 59 Cb 0.24 -1.58 0.43 0.00 -0.00 0.00 0.00 31.44 30.52 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 -0.68 3.44 3.07 -1.67 -3.20 115.11 116.06 1j3c h GLN 60 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.48 1j3c h GLN 60 Cb 1.65 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.17 1j3c h GLN 60 CO 0.02 0.11 0.44 -0.22 0.09 0.00 0.00 178.83 179.27 1j3c h LYS 61 N 0.00 0.91 0.00 0.06 3.64 -1.74 -0.99 116.57 118.44 1j3c h LYS 61 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1j3c h LYS 61 Cb 0.78 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1j3c h LYS 61 CO 0.01 0.62 0.00 0.00 -2.27 0.00 0.00 179.45 177.81 1j3c n ALA 62 N -2.30 2.13 -0.32 5.00 0.00 -1.21 -3.33 120.51 120.49 1j3c n ALA 62 Ca 0.06 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.48 1j3c n ALA 62 Cb 0.03 -1.43 0.20 0.00 0.00 0.00 0.00 19.45 18.25 1j3c n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j3c h ALA 63 N 2.66 1.43 0.54 0.00 0.00 -1.22 -2.01 119.26 120.67 1j3c h ALA 63 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1j3c h ALA 63 Cb 0.53 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1j3c h ALA 63 CO 0.00 0.46 -0.26 -0.22 0.00 0.00 0.00 179.25 179.23 1j3c h LYS 64 N 1.13 -0.70 -0.55 0.00 3.64 -1.63 -3.06 116.57 115.40 1j3c h LYS 64 Ca 0.38 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.96 1j3c h LYS 64 Cb 0.06 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1j3c h LYS 64 CO -0.12 -0.47 0.89 -0.07 -2.27 0.00 0.00 179.45 177.40 1j3c h LEU 65 N -1.05 0.00 -0.14 5.20 4.07 -1.65 0.61 115.31 122.35 1j3c h LEU 65 Ca -0.07 0.00 -0.11 0.00 0.08 0.00 0.00 57.88 57.78 1j3c h LEU 65 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1j3c h LEU 65 CO 0.12 0.00 -0.34 0.50 -1.08 0.00 0.00 178.44 177.64 1j3c h LYS 66 N 0.00 0.48 -0.00 1.13 3.64 -1.26 0.45 116.57 121.01 1j3c h LYS 66 Ca 0.26 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1j3c h LYS 66 Cb 2.03 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.90 1j3c h LYS 66 CO -0.00 0.94 -0.11 0.39 -2.27 0.00 0.00 179.45 178.40 1j3c n GLU 67 N -4.35 0.01 -0.09 1.90 -0.58 0.19 -2.34 120.64 115.38 1j3c n GLU 67 Ca -0.07 -0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.55 1j3c n GLU 67 Cb 0.50 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.72 1j3c n GLU 67 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1j3c n LYS 68 N -1.49 0.68 -0.05 3.49 3.00 0.03 -3.51 118.16 120.30 1j3c n LYS 68 Ca 0.07 0.09 -0.13 0.00 -0.00 0.00 0.00 58.31 58.34 1j3c n LYS 68 Cb 0.34 -1.57 -0.11 0.00 0.00 0.00 0.00 35.03 33.68 1j3c n LYS 68 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1j3c h TYR 69 N 0.00 -0.02 0.00 5.64 5.03 -0.15 0.11 116.97 127.59 1j3c h TYR 69 Ca -0.51 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.80 1j3c h TYR 69 Cb 2.13 0.01 0.00 0.00 1.55 0.00 0.00 36.73 40.42 1j3c h TYR 69 CO 0.01 0.75 0.00 0.39 -1.32 0.00 0.00 178.16 177.99 1j3c n GLU 70 N -4.70 0.09 -0.06 1.82 1.02 -0.99 -1.70 120.64 116.12 1j3c n GLU 70 Ca -0.09 0.19 -0.07 0.00 -0.02 0.00 0.00 57.16 57.17 1j3c n GLU 70 Cb 0.38 -1.50 -0.08 0.00 -0.02 0.00 0.00 31.44 30.22 1j3c n GLU 70 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1j3c n LYS 71 N -1.42 1.38 0.05 3.49 4.81 -1.22 -4.46 118.16 120.79 1j3c n LYS 71 Ca 0.05 0.03 -0.09 0.00 -0.87 0.00 0.00 58.31 57.43 1j3c n LYS 71 Cb 0.16 -1.29 -0.13 0.00 0.02 0.00 0.00 35.03 33.80 1j3c n LYS 71 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1j3c h ASP 72 N 0.00 0.09 0.84 3.14 3.58 -0.74 -3.26 116.42 120.07 1j3c h ASP 72 Ca -0.31 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.03 1j3c h ASP 72 Cb 1.61 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.63 1j3c h ASP 72 CO -0.01 1.08 0.00 -0.29 -2.88 0.00 0.00 179.24 177.14 1j3c h ILE 73 N 0.01 0.00 -0.26 2.25 6.09 -1.50 -2.59 117.51 121.52 1j3c h ILE 73 Ca -0.10 -0.40 -0.05 0.00 -1.37 0.00 0.00 64.86 62.94 1j3c h ILE 73 Cb 1.86 1.36 -0.01 0.00 0.47 0.00 0.00 36.82 40.49 1j3c h ILE 73 CO 0.13 0.00 -0.06 0.00 -3.07 0.00 0.00 178.15 175.15 1j3c h ALA 74 N 2.03 1.41 0.00 0.18 0.00 -1.78 -1.31 119.26 119.80 1j3c h ALA 74 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1j3c h ALA 74 Cb 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1j3c h ALA 74 CO 0.00 0.41 -0.22 0.00 0.00 0.00 0.00 179.25 179.44 1j3c n ALA 75 N -2.48 2.54 -0.58 0.00 0.00 -0.98 -3.63 120.51 115.38 1j3c n ALA 75 Ca 0.01 -0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 1j3c n ALA 75 Cb 0.26 -1.36 0.12 0.00 0.00 0.00 0.00 19.45 18.47 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 -2.14 2.13 0.00 0.00 9.36 -0.49 -4.74 117.16 121.28 1j3c n TYR 76 Ca 0.05 -1.50 0.00 0.00 3.32 0.00 0.00 57.90 59.77 1j3c n TYR 76 Cb 0.42 -0.76 0.00 0.00 -0.63 0.00 0.00 39.34 38.37 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 -0.61 0.00 -2.74 2.98 1.74 -1.23 -5.04 116.66 111.76 1j3c n ARG 77 Ca 0.42 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.40 1j3c n ARG 77 Cb 1.27 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.75 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 -3.00 2.57 1.52 7.54 0.00 -1.26 -5.16 120.51 122.72 1j3c n ALA 78 Ca 0.00 -2.70 0.14 0.00 0.00 0.00 0.00 53.44 50.88 1j3c n ALA 78 Cb 0.00 -0.96 0.54 0.00 0.00 0.00 0.00 19.45 19.03 1j3c n ALA 78 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13