#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4c s SER 1 N 0.00 0.63 0.33 6.12 1.04 -1.26 -4.78 113.70 115.78 1b4c s SER 1 Ca 0.00 1.27 0.04 0.00 0.48 0.00 0.00 55.95 57.74 1b4c s SER 1 Cb 0.00 -1.95 0.59 0.00 0.10 0.00 0.00 66.02 64.76 1b4c s SER 1 CO 0.00 -4.38 1.87 -0.33 0.98 0.00 0.00 173.24 171.37 1b4c h GLU 2 N -2.75 0.53 0.14 4.02 5.08 -2.06 -2.86 114.58 116.67 1b4c h GLU 2 Ca -0.57 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 57.68 1b4c h GLU 2 Cb 1.34 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1b4c h GLU 2 CO 0.47 0.56 -0.17 1.25 -1.00 0.00 0.00 179.01 180.12 1b4c h LEU 3 N 0.50 -0.45 -0.55 1.33 6.46 -2.00 -2.40 115.31 118.21 1b4c h LEU 3 Ca 0.11 0.05 0.09 0.00 -0.12 0.00 0.00 57.88 58.01 1b4c h LEU 3 Cb 0.34 0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 40.36 1b4c h LEU 3 CO 0.01 -0.25 0.13 -0.33 -0.62 0.00 0.00 178.44 177.38 1b4c h GLU 4 N -0.35 0.26 -0.80 1.25 5.08 -1.85 0.28 114.58 118.46 1b4c h GLU 4 Ca 0.01 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.54 1b4c h GLU 4 Cb 0.34 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 29.42 1b4c h GLU 4 CO -0.06 0.18 0.26 0.87 -1.00 0.00 0.00 179.01 179.25 1b4c h LYS 5 N 0.27 0.32 0.00 2.33 1.79 -1.26 0.14 116.57 120.16 1b4c h LYS 5 Ca 0.28 -0.02 -0.18 0.00 -2.18 0.00 0.00 60.65 58.55 1b4c h LYS 5 Cb 0.38 -0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 1b4c h LYS 5 CO -0.34 0.21 -0.85 0.00 -1.08 0.00 0.00 179.45 177.39 1b4c h ALA 6 N 1.65 0.56 -0.24 3.86 0.00 -0.58 -2.89 119.26 121.62 1b4c h ALA 6 Ca 0.47 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1b4c h ALA 6 Cb 0.84 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1b4c h ALA 6 CO -0.52 1.06 0.10 1.98 0.00 0.00 0.00 179.25 181.87 1b4c h MET 7 N 0.00 0.35 -0.38 0.00 -1.53 0.22 -2.73 114.93 110.86 1b4c h MET 7 Ca -0.01 -0.06 -0.08 0.00 -3.44 0.00 0.00 59.70 56.11 1b4c h MET 7 Cb 1.54 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 32.51 1b4c h MET 7 CO 0.11 0.37 -0.11 0.28 0.14 0.00 0.00 176.91 177.70 1b4c h VAL 8 N 0.24 1.25 -0.28 -5.77 2.07 -1.32 -3.00 116.25 109.43 1b4c h VAL 8 Ca 0.08 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.54 1b4c h VAL 8 Cb 0.15 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1b4c h VAL 8 CO -0.01 0.37 0.04 0.00 0.02 0.00 0.00 177.57 177.99 1b4c h ALA 9 N 1.28 0.28 0.02 1.67 0.00 -1.27 -1.35 119.26 119.89 1b4c h ALA 9 Ca 0.11 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1b4c h ALA 9 Cb 0.54 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1b4c h ALA 9 CO 0.03 -0.38 -0.34 -0.07 0.00 0.00 0.00 179.25 178.50 1b4c h LEU 10 N 0.14 -1.01 -0.77 0.00 3.38 -1.35 -0.11 115.31 115.58 1b4c h LEU 10 Ca 0.13 0.13 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1b4c h LEU 10 Cb 0.15 0.40 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 1b4c h LEU 10 CO -0.19 -0.40 0.42 0.40 0.09 0.00 0.00 178.44 178.76 1b4c h ILE 11 N -0.50 0.89 -0.31 1.22 1.08 -1.44 0.04 117.51 118.48 1b4c h ILE 11 Ca 0.05 -0.24 -0.13 0.00 -0.39 0.00 0.00 64.86 64.15 1b4c h ILE 11 Cb 0.58 0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.44 1b4c h ILE 11 CO -0.26 0.13 -0.34 -0.78 -0.69 0.00 0.00 178.15 176.20 1b4c h ASP 12 N 0.71 0.71 0.06 1.72 3.58 -0.53 -2.81 116.42 119.87 1b4c h ASP 12 Ca 0.37 -0.29 -0.17 0.00 0.42 0.00 0.00 57.03 57.36 1b4c h ASP 12 Cb 0.36 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1b4c h ASP 12 CO -0.25 0.99 -0.59 0.58 -2.88 0.00 0.00 179.24 177.09 1b4c h VAL 13 N 0.57 1.33 -0.36 2.25 2.07 -0.27 -2.03 116.25 119.80 1b4c h VAL 13 Ca 0.06 -1.86 0.06 0.00 0.82 0.00 0.00 66.70 65.78 1b4c h VAL 13 Cb 0.86 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1b4c h VAL 13 CO 0.07 0.57 0.25 0.15 0.02 0.00 0.00 177.57 178.64 1b4c h PHE 14 N 0.40 0.22 0.01 1.57 3.04 -0.87 -0.06 116.94 121.24 1b4c h PHE 14 Ca -0.00 0.01 -0.21 0.00 3.98 0.00 0.00 57.97 61.75 1b4c h PHE 14 Cb 1.14 -0.07 -0.03 0.00 2.56 0.00 0.00 35.95 39.55 1b4c h PHE 14 CO 0.05 0.12 -0.97 1.25 -2.02 0.00 0.00 178.31 176.73 1b4c h HIS 15 N 0.21 0.05 -0.61 0.41 2.76 -1.19 -3.12 115.15 113.66 1b4c h HIS 15 Ca 0.16 -0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.38 1b4c h HIS 15 Cb 0.37 -0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.26 1b4c h HIS 15 CO -0.00 0.98 0.27 0.37 -1.30 0.00 0.00 177.93 178.25 1b4c h GLN 16 N 0.01 0.46 -0.05 5.26 -0.00 -0.30 -1.47 115.11 119.03 1b4c h GLN 16 Ca -0.02 -0.03 -0.22 0.00 -0.00 0.00 0.00 58.65 58.38 1b4c h GLN 16 Cb 1.71 -0.10 0.02 0.00 0.00 0.00 0.00 27.48 29.10 1b4c h GLN 16 CO 0.13 0.31 -0.83 1.88 0.00 0.00 0.00 178.83 180.31 1b4c h TYR 17 N 0.48 0.94 -1.89 3.99 -1.99 -1.62 -3.30 116.97 113.57 1b4c h TYR 17 Ca 0.30 -0.47 -0.77 0.00 2.00 0.00 0.00 58.73 59.79 1b4c h TYR 17 Cb 0.32 -0.12 -0.23 0.00 2.00 0.00 0.00 36.73 38.70 1b4c h TYR 17 CO -0.14 1.30 1.29 -1.13 -0.00 0.00 0.00 178.16 179.49 1b4c n SER 18 N -3.99 7.48 -0.00 3.88 3.41 -0.87 -4.30 113.62 119.24 1b4c n SER 18 Ca -0.10 -3.56 0.01 0.00 -0.26 0.00 0.00 58.87 54.96 1b4c n SER 18 Cb 0.78 -1.20 -0.01 0.00 -0.26 0.00 0.00 64.21 63.52 1b4c n SER 18 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b4c n GLY 19 N 0.31 0.74 0.25 5.00 0.00 -0.61 -3.87 105.19 107.01 1b4c n GLY 19 Ca 0.52 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.57 1b4c n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1b4c h ARG 20 N 0.00 0.00 0.00 1.61 3.08 -1.85 -3.40 114.38 113.82 1b4c h ARG 20 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1b4c h ARG 20 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1b4c h ARG 20 CO 0.00 0.06 0.00 -0.85 -1.07 0.00 0.00 179.97 178.11 1b4c n GLU 21 N -4.43 0.00 -0.51 0.04 0.28 -1.26 -4.98 120.64 109.78 1b4c n GLU 21 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 1b4c n GLU 21 Cb 0.14 -0.13 0.00 0.00 1.43 0.00 0.00 31.44 32.88 1b4c n GLU 21 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1b4c n GLY 22 N 0.32 0.00 0.39 -1.84 0.00 -1.25 -4.75 105.19 98.06 1b4c n GLY 22 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1b4c n GLY 22 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1b4c h ASP 23 N 0.00 -1.38 -4.82 1.61 1.82 -1.93 -3.41 116.42 108.31 1b4c h ASP 23 Ca 0.00 0.16 -0.39 0.00 -0.39 0.00 0.00 57.03 56.40 1b4c h ASP 23 Cb 0.44 0.53 0.09 0.00 0.68 0.00 0.00 39.33 41.07 1b4c h ASP 23 CO 0.00 -0.41 0.17 0.29 -1.61 0.00 0.00 179.24 177.67 1b4c n LYS 24 N -4.90 -0.30 -2.54 0.28 5.02 -1.26 -5.03 118.16 109.42 1b4c n LYS 24 Ca -0.06 -2.21 -0.18 0.00 -2.02 0.00 0.00 58.31 53.84 1b4c n LYS 24 Cb 0.32 -0.73 0.02 0.00 -0.02 0.00 0.00 35.03 34.61 1b4c n LYS 24 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1b4c n HIS 25 N -2.90 2.34 -4.33 2.13 -0.00 -1.26 -5.06 115.22 106.13 1b4c n HIS 25 Ca 0.14 -2.88 -0.20 0.00 -0.00 0.00 0.00 57.72 54.79 1b4c n HIS 25 Cb 0.51 -0.23 -0.13 0.00 -0.00 0.00 0.00 29.99 30.14 1b4c n HIS 25 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1b4c s LYS 26 N -3.39 0.90 0.01 1.57 -0.14 -1.26 -4.75 119.74 112.68 1b4c s LYS 26 Ca 0.38 -0.74 0.07 0.00 -1.36 0.00 0.00 55.97 54.32 1b4c s LYS 26 Cb 0.42 -0.90 -0.02 0.00 -1.68 0.00 0.00 37.83 35.65 1b4c s LYS 26 CO -0.07 0.22 -0.20 -1.17 -0.76 0.00 0.00 175.35 173.36 1b4c s LEU 27 N -1.14 2.10 0.32 3.17 0.20 -0.08 -4.96 118.68 118.30 1b4c s LEU 27 Ca 0.01 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.39 1b4c s LEU 27 Cb -0.08 -1.00 -0.04 0.00 -0.43 0.00 0.00 46.19 44.65 1b4c s LEU 27 CO 0.01 0.20 0.53 -0.54 -0.29 0.00 0.00 176.35 176.26 1b4c s LYS 28 N -0.83 3.50 0.27 1.98 1.02 -1.26 0.14 119.74 124.56 1b4c s LYS 28 Ca 0.07 -0.32 -0.03 0.00 0.02 0.00 0.00 55.97 55.71 1b4c s LYS 28 Cb -0.08 -2.69 0.35 0.00 -0.52 0.00 0.00 37.83 34.89 1b4c s LYS 28 CO 0.01 0.19 1.84 1.57 -0.92 0.00 0.00 175.35 178.03 1b4c h LYS 29 N 0.97 0.96 -0.64 1.68 2.10 -1.91 -1.36 116.57 118.38 1b4c h LYS 29 Ca -0.49 -0.17 0.01 0.00 -2.00 0.00 0.00 60.65 57.99 1b4c h LYS 29 Cb 1.21 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 32.35 1b4c h LYS 29 CO 0.62 0.80 0.42 1.03 -2.00 0.00 0.00 179.45 180.32 1b4c h SER 30 N 0.94 0.73 0.65 7.07 0.87 -1.95 0.88 113.55 122.74 1b4c h SER 30 Ca 0.22 -0.02 -0.23 0.00 -1.23 0.00 0.00 61.79 60.52 1b4c h SER 30 Cb 0.21 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 1b4c h SER 30 CO -0.02 0.54 -1.05 -0.33 -0.53 0.00 0.00 176.83 175.44 1b4c h GLU 31 N 0.86 0.21 -0.46 2.24 4.39 -1.92 -3.23 114.58 116.66 1b4c h GLU 31 Ca 0.23 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 1b4c h GLU 31 Cb -0.09 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1b4c h GLU 31 CO -0.05 1.08 0.08 1.25 -1.16 0.00 0.00 179.01 180.21 1b4c h LEU 32 N 0.09 0.73 -0.05 1.33 5.85 -0.95 -3.01 115.31 119.30 1b4c h LEU 32 Ca -0.08 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.43 1b4c h LEU 32 Cb 1.74 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.52 1b4c h LEU 32 CO 0.16 0.80 -0.38 0.50 -0.34 0.00 0.00 178.44 179.18 1b4c h LYS 33 N 0.63 -0.49 -1.15 1.25 3.64 -0.85 0.24 116.57 119.85 1b4c h LYS 33 Ca 0.14 0.03 0.32 0.00 -1.27 0.00 0.00 60.65 59.88 1b4c h LYS 33 Cb 0.37 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.22 1b4c h LYS 33 CO 0.01 -0.33 0.77 0.93 -2.27 0.00 0.00 179.45 178.56 1b4c h GLU 34 N -0.51 0.20 -0.16 1.90 5.08 -1.56 0.22 114.58 119.75 1b4c h GLU 34 Ca 0.06 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1b4c h GLU 34 Cb 0.61 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1b4c h GLU 34 CO -0.33 0.13 -0.06 1.25 -1.00 0.00 0.00 179.01 179.01 1b4c h LEU 35 N 0.21 0.33 -1.49 1.33 6.46 -0.43 -2.82 115.31 118.90 1b4c h LEU 35 Ca 0.62 -0.39 0.12 0.00 -0.12 0.00 0.00 57.88 58.11 1b4c h LEU 35 Cb 1.95 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 41.74 1b4c h LEU 35 CO -0.21 0.65 0.49 0.40 -0.62 0.00 0.00 178.44 179.15 1b4c h ILE 36 N 0.02 0.86 0.00 4.05 2.04 0.19 0.40 117.51 125.07 1b4c h ILE 36 Ca 0.04 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 1b4c h ILE 36 Cb 0.51 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1b4c h ILE 36 CO 0.02 0.10 -0.27 0.78 0.00 0.00 0.00 178.15 178.77 1b4c h ASN 37 N 0.54 0.00 0.00 1.72 -0.26 -1.13 -1.69 115.58 114.75 1b4c h ASN 37 Ca 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.10 1b4c h ASN 37 Cb 0.65 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 1b4c h ASN 37 CO -0.13 0.27 -1.50 -3.20 -1.06 0.00 0.00 177.43 171.82 1b4c n ASN 38 N -3.75 1.78 -0.06 5.81 2.85 -0.48 -4.14 115.26 117.28 1b4c n ASN 38 Ca -0.01 -0.09 -0.02 0.00 -0.11 0.00 0.00 54.58 54.35 1b4c n ASN 38 Cb 0.38 1.54 -0.14 0.00 1.24 0.00 0.00 39.78 42.80 1b4c n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1b4c n GLU 39 N -1.89 0.89 -0.56 1.20 -0.58 0.01 -4.42 120.64 115.29 1b4c n GLU 39 Ca -0.02 -0.07 0.03 0.00 -0.42 0.00 0.00 57.16 56.68 1b4c n GLU 39 Cb 0.33 -1.46 0.22 0.00 -0.57 0.00 0.00 31.44 29.97 1b4c n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1b4c n LEU 40 N -2.47 3.83 0.18 -4.62 4.32 -0.64 -4.58 117.00 113.02 1b4c n LEU 40 Ca -0.19 -3.34 0.05 0.00 -0.02 0.00 0.00 56.01 52.51 1b4c n LEU 40 Cb 0.86 -0.57 0.31 0.00 -1.62 0.00 0.00 43.42 42.40 1b4c n LEU 40 CO 0.39 0.92 0.66 0.77 -1.22 0.00 0.00 177.39 178.91 1b4c h SER 41 N 1.27 0.00 0.01 -1.43 4.64 -1.72 -2.67 113.55 113.65 1b4c h SER 41 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1b4c h SER 41 Cb 1.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1b4c h SER 41 CO 0.27 0.39 -0.01 -0.74 -0.87 0.00 0.00 176.83 175.87 1b4c h HIS 42 N 0.00 -0.01 0.00 4.77 -0.00 -1.91 -3.19 115.15 114.82 1b4c h HIS 42 Ca -0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1b4c h HIS 42 Cb 0.94 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.35 1b4c h HIS 42 CO 0.00 0.66 -0.12 0.74 -0.00 0.00 0.00 177.93 179.21 1b4c h PHE 43 N -0.71 0.00 0.00 5.26 0.04 -1.89 -2.43 116.94 117.21 1b4c h PHE 43 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1b4c h PHE 43 Cb 0.68 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.83 1b4c h PHE 43 CO 0.16 0.12 0.53 1.25 -0.60 0.00 0.00 178.31 179.77 1b4c h LEU 44 N 0.00 0.00 0.17 1.54 7.12 -1.45 0.43 115.31 123.12 1b4c h LEU 44 Ca -0.00 0.00 -0.28 0.00 0.13 0.00 0.00 57.88 57.73 1b4c h LEU 44 Cb 0.30 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 40.45 1b4c h LEU 44 CO 0.02 0.00 -1.35 -0.08 -0.13 0.00 0.00 178.44 176.90 1b4c h GLU 45 N 0.00 0.36 -2.64 1.25 4.81 -1.62 -3.36 114.58 113.38 1b4c h GLU 45 Ca 0.00 -0.62 -0.64 0.00 -0.13 0.00 0.00 59.36 57.97 1b4c h GLU 45 Cb 1.05 0.23 -0.07 0.00 0.63 0.00 0.00 28.75 30.60 1b4c h GLU 45 CO 0.00 1.30 2.49 0.39 -0.73 0.00 0.00 179.01 182.46 1b4c n GLU 46 N -3.86 3.83 -3.95 1.92 1.02 0.15 -4.84 120.64 114.91 1b4c n GLU 46 Ca -0.20 -2.68 -0.33 0.00 -0.02 0.00 0.00 57.16 53.93 1b4c n GLU 46 Cb 0.97 -2.59 -0.14 0.00 -0.02 0.00 0.00 31.44 29.66 1b4c n GLU 46 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1b4c s ILE 47 N 0.12 2.63 -0.21 -3.67 -1.09 -1.25 -4.51 121.20 113.21 1b4c s ILE 47 Ca 0.61 -1.93 -0.09 0.00 -2.23 0.00 0.00 60.65 57.01 1b4c s ILE 47 Cb 0.22 -2.73 -0.19 0.00 -1.58 0.00 0.00 42.46 38.17 1b4c s ILE 47 CO -0.09 -0.39 0.01 0.29 -1.23 0.00 0.00 174.94 173.53 1b4c n LYS 48 N 4.44 0.65 -2.05 2.79 4.76 -1.26 -4.49 118.16 123.00 1b4c n LYS 48 Ca -0.05 0.30 -0.41 0.00 -2.87 0.00 0.00 58.31 55.28 1b4c n LYS 48 Cb 0.42 -1.62 -0.00 0.00 -1.84 0.00 0.00 35.03 31.99 1b4c n LYS 48 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1b4c n GLU 49 N -3.81 3.83 0.25 1.97 4.07 -1.26 -4.76 120.64 120.93 1b4c n GLU 49 Ca -0.41 -3.26 0.10 0.00 -0.06 0.00 0.00 57.16 53.53 1b4c n GLU 49 Cb 0.91 -2.87 0.37 0.00 -0.06 0.00 0.00 31.44 29.80 1b4c n GLU 49 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1b4c h GLN 50 N 5.36 0.00 0.00 5.31 4.20 -1.94 0.57 115.11 128.60 1b4c h GLN 50 Ca 0.56 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 59.20 1b4c h GLN 50 Cb 0.50 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1b4c h GLN 50 CO 1.63 0.00 -0.33 0.93 -0.67 0.00 0.00 178.83 180.39 1b4c h GLU 51 N 0.00 0.00 -0.00 1.46 5.08 -1.98 -1.25 114.58 117.89 1b4c h GLU 51 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1b4c h GLU 51 Cb 1.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.85 1b4c h GLU 51 CO -0.00 0.33 -0.02 0.28 -1.00 0.00 0.00 179.01 178.60 1b4c h VAL 52 N 0.00 1.58 -0.30 3.13 2.07 -0.24 -2.60 116.25 119.89 1b4c h VAL 52 Ca -0.00 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 65.75 1b4c h VAL 52 Cb 0.96 2.76 -0.02 0.00 -1.52 0.00 0.00 31.29 33.47 1b4c h VAL 52 CO 0.04 0.45 0.08 0.58 0.02 0.00 0.00 177.57 178.75 1b4c h VAL 53 N -0.71 1.14 -0.44 2.57 2.07 -1.61 -2.05 116.25 117.22 1b4c h VAL 53 Ca -0.00 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1b4c h VAL 53 Cb 0.76 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1b4c h VAL 53 CO 0.00 0.18 0.28 -0.78 0.02 0.00 0.00 177.57 177.27 1b4c h ASP 54 N 0.43 0.47 0.53 0.57 1.82 -1.18 -1.59 116.42 117.48 1b4c h ASP 54 Ca 0.10 -0.00 -0.06 0.00 -0.39 0.00 0.00 57.03 56.68 1b4c h ASP 54 Cb 0.16 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.05 1b4c h ASP 54 CO -0.01 0.34 -0.30 0.11 -1.61 0.00 0.00 179.24 177.77 1b4c h LYS 55 N 0.56 0.00 0.49 0.28 1.57 -0.99 -2.58 116.57 115.91 1b4c h LYS 55 Ca 0.17 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1b4c h LYS 55 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1b4c h LYS 55 CO -0.06 0.30 -0.23 0.28 -0.57 0.00 0.00 179.45 179.17 1b4c h VAL 56 N 0.00 0.46 -0.71 0.50 2.07 -0.75 1.90 116.25 119.72 1b4c h VAL 56 Ca -0.00 -0.32 0.21 0.00 0.82 0.00 0.00 66.70 67.40 1b4c h VAL 56 Cb 0.65 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1b4c h VAL 56 CO 0.04 0.05 0.54 0.24 0.02 0.00 0.00 177.57 178.46 1b4c h MET 57 N -0.87 0.00 0.14 1.57 2.86 -1.22 0.82 114.93 118.24 1b4c h MET 57 Ca -0.07 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.23 1b4c h MET 57 Cb 0.59 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1b4c h MET 57 CO 0.11 0.00 -1.80 1.49 1.06 0.00 0.00 176.91 177.77 1b4c h GLU 58 N 0.00 0.31 -0.45 1.72 4.81 -0.97 -1.96 114.58 118.03 1b4c h GLU 58 Ca 0.34 -0.52 -0.08 0.00 -0.13 0.00 0.00 59.36 58.96 1b4c h GLU 58 Cb 1.42 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.98 1b4c h GLU 58 CO -0.00 1.20 -0.03 1.15 -0.73 0.00 0.00 179.01 180.60 1b4c h THR 59 N 0.08 1.27 0.48 0.32 2.02 0.52 0.06 112.91 117.66 1b4c h THR 59 Ca -0.35 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 65.70 1b4c h THR 59 Cb 2.06 1.07 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1b4c h THR 59 CO 0.14 0.38 -0.23 0.25 0.37 0.00 0.00 175.52 176.43 1b4c h LEU 60 N 0.67 -0.54 -1.53 2.58 5.85 0.42 -2.36 115.31 120.39 1b4c h LEU 60 Ca 0.12 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1b4c h LEU 60 Cb 0.55 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1b4c h LEU 60 CO 0.03 -0.15 0.45 0.44 -0.34 0.00 0.00 178.44 178.87 1b4c h ASP 61 N -1.03 0.00 -1.29 1.25 3.32 -1.32 0.26 116.42 117.62 1b4c h ASP 61 Ca -0.07 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.29 1b4c h ASP 61 Cb 0.58 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.84 1b4c h ASP 61 CO 0.11 0.00 0.82 -0.62 -1.72 0.00 0.00 179.24 177.83 1b4c n GLU 62 N -2.73 2.77 -0.46 3.56 1.02 0.00 -4.70 120.64 120.09 1b4c n GLU 62 Ca -0.02 -3.42 0.39 0.00 -0.02 0.00 0.00 57.16 54.09 1b4c n GLU 62 Cb 0.49 -2.28 0.71 0.00 -0.02 0.00 0.00 31.44 30.33 1b4c n GLU 62 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1b4c h ASP 63 N 2.31 0.14 0.00 1.62 3.58 -0.50 -3.43 116.42 120.14 1b4c h ASP 63 Ca 0.58 0.05 0.00 0.00 0.42 0.00 0.00 57.03 58.09 1b4c h ASP 63 Cb 0.62 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.71 1b4c h ASP 63 CO 1.50 -0.05 0.00 0.61 -2.88 0.00 0.00 179.24 178.42 1b4c n GLY 64 N -1.69 0.00 0.07 -0.78 0.00 -1.26 -4.43 105.19 97.10 1b4c n GLY 64 Ca 0.34 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 1b4c n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b4c n ASP 65 N 0.00 1.69 0.00 1.61 5.68 -1.26 -5.02 116.55 119.25 1b4c n ASP 65 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1b4c n ASP 65 Cb 0.00 0.68 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 1b4c n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b4c n GLY 66 N 2.21 2.76 3.16 6.12 0.00 -1.26 -5.02 105.19 113.15 1b4c n GLY 66 Ca -0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1b4c n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b4c s GLU 67 N -0.41 0.30 -0.20 1.61 2.02 -1.26 -4.85 118.70 115.91 1b4c s GLU 67 Ca 0.00 0.62 -0.07 0.00 0.02 0.00 0.00 54.97 55.54 1b4c s GLU 67 Cb 0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.14 1b4c s GLU 67 CO 0.00 -0.15 0.05 0.00 0.02 0.00 0.00 175.26 175.18 1b4c n ASP 69 N 3.96 0.13 0.04 0.00 9.92 -1.26 -0.90 116.55 128.44 1b4c n ASP 69 Ca -0.17 -1.15 -0.12 0.00 -0.53 0.00 0.00 54.79 52.83 1b4c n ASP 69 Cb 0.52 -0.15 -0.01 0.00 -0.64 0.00 0.00 41.12 40.84 1b4c n ASP 69 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1b4c h PHE 70 N -0.78 0.66 -0.78 1.24 3.04 -1.96 -2.92 116.94 115.44 1b4c h PHE 70 Ca -0.07 -0.31 0.03 0.00 3.98 0.00 0.00 57.97 61.60 1b4c h PHE 70 Cb 0.22 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.59 1b4c h PHE 70 CO 0.00 1.09 0.51 0.37 -2.02 0.00 0.00 178.31 178.27 1b4c h GLN 71 N 0.31 0.96 0.00 1.11 5.75 -2.00 -0.44 115.11 120.80 1b4c h GLN 71 Ca -0.05 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.32 1b4c h GLN 71 Cb 1.39 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 29.71 1b4c h GLN 71 CO 0.14 0.64 -0.34 0.93 -2.65 0.00 0.00 178.83 177.54 1b4c h GLU 72 N 0.99 0.00 0.02 1.69 5.08 -1.91 -2.98 114.58 117.47 1b4c h GLU 72 Ca 0.30 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.42 1b4c h GLU 72 Cb -0.01 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.26 1b4c h GLU 72 CO -0.08 0.34 -0.97 0.35 -1.00 0.00 0.00 179.01 177.66 1b4c h PHE 73 N 0.00 0.93 0.00 4.33 3.57 -0.94 -2.44 116.94 122.39 1b4c h PHE 73 Ca -0.00 -0.52 -0.04 0.00 3.53 0.00 0.00 57.97 60.93 1b4c h PHE 73 Cb 0.95 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1b4c h PHE 73 CO 0.00 1.36 -0.21 1.98 -2.23 0.00 0.00 178.31 179.21 1b4c h MET 74 N 0.24 0.00 -0.03 1.11 4.05 -1.17 -1.62 114.93 117.51 1b4c h MET 74 Ca -0.13 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.17 1b4c h MET 74 Cb 1.64 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.45 1b4c h MET 74 CO 0.19 0.21 -0.45 0.00 0.23 0.00 0.00 176.91 177.09 1b4c h ALA 75 N 1.79 0.09 -0.20 0.39 0.00 -1.45 -2.79 119.26 117.10 1b4c h ALA 75 Ca -0.00 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 1b4c h ALA 75 Cb 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1b4c h ALA 75 CO 0.03 0.26 -0.09 0.74 0.00 0.00 0.00 179.25 180.18 1b4c h PHE 76 N -0.19 0.32 -0.32 0.00 0.04 -1.18 -1.89 116.94 113.72 1b4c h PHE 76 Ca -0.05 -0.03 -0.09 0.00 2.80 0.00 0.00 57.97 60.59 1b4c h PHE 76 Cb 1.15 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 39.19 1b4c h PHE 76 CO 0.15 0.40 -0.20 0.28 -0.60 0.00 0.00 178.31 178.34 1b4c h VAL 77 N 0.29 1.26 0.24 -0.55 2.07 -1.30 -2.69 116.25 115.57 1b4c h VAL 77 Ca 0.06 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1b4c h VAL 77 Cb 0.35 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1b4c h VAL 77 CO 0.02 0.40 -0.11 0.77 0.02 0.00 0.00 177.57 178.66 1b4c h SER 78 N 0.53 -0.27 -1.00 0.57 4.64 -1.08 -1.82 113.55 115.12 1b4c h SER 78 Ca 0.08 -0.25 0.21 0.00 -0.47 0.00 0.00 61.79 61.36 1b4c h SER 78 Cb 0.64 0.07 -0.10 0.00 -0.31 0.00 0.00 62.40 62.69 1b4c h SER 78 CO 0.04 0.22 0.62 0.24 -0.87 0.00 0.00 176.83 177.09 1b4c h MET 79 N -0.89 0.64 -0.09 4.77 2.07 -1.40 1.02 114.93 121.05 1b4c h MET 79 Ca -0.03 -0.04 -0.17 0.00 -2.07 0.00 0.00 59.70 57.39 1b4c h MET 79 Cb 0.50 -0.14 0.01 0.00 -1.87 0.00 0.00 31.60 30.10 1b4c h MET 79 CO 0.05 0.42 -0.61 0.28 1.07 0.00 0.00 176.91 178.13 1b4c h VAL 80 N 0.66 1.35 -0.35 -2.22 2.07 -1.50 0.22 116.25 116.48 1b4c h VAL 80 Ca 0.58 -1.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.07 1b4c h VAL 80 Cb 1.05 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1b4c h VAL 80 CO -0.37 0.58 -0.20 0.74 0.02 0.00 0.00 177.57 178.35 1b4c h THR 81 N 0.18 1.29 0.00 2.57 2.02 -0.27 -2.68 112.91 116.02 1b4c h THR 81 Ca -0.05 -1.33 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 1b4c h THR 81 Cb 1.26 1.39 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1b4c h THR 81 CO 0.12 0.44 -0.03 0.71 0.37 0.00 0.00 175.52 177.13 1b4c h THR 82 N 0.53 0.06 -0.57 3.16 1.35 1.00 -2.93 112.91 115.51 1b4c h THR 82 Ca 0.07 -0.71 0.16 0.00 -0.55 0.00 0.00 66.41 65.38 1b4c h THR 82 Cb 0.75 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.82 1b4c h THR 82 CO 0.06 0.03 0.41 0.00 -0.25 0.00 0.00 175.52 175.76 1b4c h ALA 83 N 1.97 2.51 -2.65 6.62 0.00 -0.20 -3.40 119.26 124.12 1b4c h ALA 83 Ca -0.00 -0.02 -0.49 0.00 0.00 0.00 0.00 54.91 54.40 1b4c h ALA 83 Cb 0.67 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.52 1b4c h ALA 83 CO 0.00 -0.67 0.44 0.00 0.00 0.00 0.00 179.25 179.03 1b4c n HIS 85 N 0.41 -1.53 -1.52 0.00 8.25 -1.26 -4.42 115.22 115.15 1b4c n HIS 85 Ca 0.03 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.17 1b4c n HIS 85 Cb 0.47 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.45 1b4c n HIS 85 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1b4c n GLU 86 N -1.48 0.28 0.30 -0.41 1.02 -1.26 -4.68 120.64 114.41 1b4c n GLU 86 Ca 0.00 -0.12 0.17 0.00 -0.02 0.00 0.00 57.16 57.19 1b4c n GLU 86 Cb 0.00 -2.05 0.97 0.00 -0.02 0.00 0.00 31.44 30.34 1b4c n GLU 86 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1b4c h PHE 87 N 13.37 0.00 -0.94 -0.32 -0.00 -1.93 -1.12 116.94 126.00 1b4c h PHE 87 Ca -0.06 0.00 0.27 0.00 -0.00 0.00 0.00 57.97 58.18 1b4c h PHE 87 Cb 1.21 0.00 -0.04 0.00 -0.00 0.00 0.00 35.95 37.12 1b4c h PHE 87 CO 1.15 0.00 0.67 0.74 -0.00 0.00 0.00 178.31 180.87 1b4c h PHE 88 N 0.00 0.05 -1.03 6.09 0.04 -1.98 -1.69 116.94 118.42 1b4c h PHE 88 Ca 0.01 0.00 -0.65 0.00 2.80 0.00 0.00 57.97 60.13 1b4c h PHE 88 Cb 0.05 -0.01 -0.13 0.00 2.20 0.00 0.00 35.95 38.06 1b4c h PHE 88 CO 0.00 0.01 1.82 0.39 -0.60 0.00 0.00 178.31 179.93 1b4c n GLU 89 N -4.28 3.85 -1.77 1.51 -0.58 -0.43 -4.98 120.64 113.96 1b4c n GLU 89 Ca 0.20 -3.00 -0.37 0.00 -0.42 0.00 0.00 57.16 53.57 1b4c n GLU 89 Cb 0.98 -2.48 0.06 0.00 -0.57 0.00 0.00 31.44 29.43 1b4c n GLU 89 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1b4c s HIS 90 N -1.07 2.13 -1.25 -0.32 3.76 -0.64 -5.05 115.29 112.85 1b4c s HIS 90 Ca 0.57 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.98 1b4c s HIS 90 Cb 0.25 -3.64 0.00 0.00 1.11 0.00 0.00 32.58 30.30 1b4c s HIS 90 CO -0.13 -2.77 0.31 0.39 -0.85 0.00 0.00 174.74 171.69