#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 3.85 0.29 3.17 1.04 -1.26 -4.86 113.70 115.93 1b4c s SER 1 Ca 0.00 0.75 -0.02 0.00 0.48 0.00 0.00 55.95 57.16 1b4c s SER 1 Cb 0.00 -1.19 0.42 0.00 0.10 0.00 0.00 66.02 65.35 1b4c s SER 1 CO 0.00 -2.32 1.96 -0.33 0.98 0.00 0.00 173.24 173.53 1b4c h GLU 2 N -1.34 1.12 -0.09 4.02 4.39 -2.06 -2.30 114.58 118.31 1b4c h GLU 2 Ca -0.47 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.16 1b4c h GLU 2 Cb 1.31 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 1b4c h GLU 2 CO 0.59 0.74 0.05 1.25 -1.16 0.00 0.00 179.01 180.49 1b4c h LEU 3 N 1.15 0.11 -0.61 1.33 6.46 -2.00 -2.59 115.31 119.16 1b4c h LEU 3 Ca 0.32 -0.04 0.12 0.00 -0.12 0.00 0.00 57.88 58.16 1b4c h LEU 3 Cb -0.10 -0.03 -0.09 0.00 -0.73 0.00 0.00 40.66 39.71 1b4c h LEU 3 CO -0.08 0.11 0.10 -0.08 -0.62 0.00 0.00 178.44 177.88 1b4c h GLU 4 N 0.09 0.21 -0.75 1.25 4.81 -1.78 0.20 114.58 118.62 1b4c h GLU 4 Ca 0.03 -0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.40 1b4c h GLU 4 Cb 0.03 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.26 1b4c h GLU 4 CO -0.01 0.14 0.26 -0.22 -0.73 0.00 0.00 179.01 178.46 1b4c h LYS 5 N 0.22 0.37 0.00 1.92 3.64 -1.13 -0.78 116.57 120.81 1b4c h LYS 5 Ca 0.32 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.50 1b4c h LYS 5 Cb 0.49 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1b4c h LYS 5 CO -0.44 0.24 -0.83 0.00 -2.27 0.00 0.00 179.45 176.15 1b4c h ALA 6 N 1.57 0.62 -0.30 5.00 0.00 -0.71 -2.63 119.26 122.81 1b4c h ALA 6 Ca 0.42 -0.76 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1b4c h ALA 6 Cb 0.66 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1b4c h ALA 6 CO -0.44 1.04 0.10 1.98 0.00 0.00 0.00 179.25 181.94 1b4c h MET 7 N 0.00 0.46 -0.18 0.00 4.05 0.74 -2.34 114.93 117.66 1b4c h MET 7 Ca -0.01 -0.09 -0.13 0.00 -0.28 0.00 0.00 59.70 59.19 1b4c h MET 7 Cb 1.48 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 32.20 1b4c h MET 7 CO 0.11 0.50 -0.42 0.28 0.23 0.00 0.00 176.91 177.60 1b4c h VAL 8 N 0.33 1.31 -0.03 -5.77 2.07 -1.46 -3.12 116.25 109.58 1b4c h VAL 8 Ca 0.10 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.04 1b4c h VAL 8 Cb 0.22 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1b4c h VAL 8 CO -0.01 0.49 -0.03 0.00 0.02 0.00 0.00 177.57 178.05 1b4c h ALA 9 N 1.19 0.00 0.01 1.67 0.00 -1.19 -2.12 119.26 118.82 1b4c h ALA 9 Ca 0.03 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1b4c h ALA 9 Cb 0.89 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1b4c h ALA 9 CO 0.08 -0.51 -0.30 -0.07 0.00 0.00 0.00 179.25 178.44 1b4c h LEU 10 N -0.03 -0.90 -1.06 0.00 3.38 -1.39 -1.58 115.31 113.73 1b4c h LEU 10 Ca 0.02 0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.23 1b4c h LEU 10 Cb 0.07 0.36 -0.08 0.00 0.09 0.00 0.00 40.66 41.10 1b4c h LEU 10 CO -0.06 -0.37 0.62 0.40 0.09 0.00 0.00 178.44 179.13 1b4c h ILE 11 N -0.46 0.92 -0.16 1.22 2.04 -1.47 -1.64 117.51 117.96 1b4c h ILE 11 Ca 0.06 -0.33 -0.16 0.00 1.00 0.00 0.00 64.86 65.43 1b4c h ILE 11 Cb 0.54 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1b4c h ILE 11 CO -0.25 0.17 -0.57 0.44 0.00 0.00 0.00 178.15 177.95 1b4c h ASP 12 N 0.95 0.54 -0.30 1.72 5.19 -0.69 -3.05 116.42 120.79 1b4c h ASP 12 Ca 0.48 -0.30 -0.11 0.00 -0.62 0.00 0.00 57.03 56.48 1b4c h ASP 12 Cb 0.51 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1b4c h ASP 12 CO -0.25 1.00 -0.26 0.58 -3.12 0.00 0.00 179.24 177.18 1b4c h VAL 13 N 0.37 1.30 -0.69 -1.35 2.07 -0.41 -1.61 116.25 115.93 1b4c h VAL 13 Ca 0.00 -1.42 0.13 0.00 0.82 0.00 0.00 66.70 66.23 1b4c h VAL 13 Cb 1.10 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 32.38 1b4c h VAL 13 CO 0.10 0.46 0.46 0.15 0.02 0.00 0.00 177.57 178.76 1b4c h PHE 14 N 0.45 0.44 0.00 1.57 3.04 -1.37 0.23 116.94 121.30 1b4c h PHE 14 Ca 0.05 0.01 -0.16 0.00 3.98 0.00 0.00 57.97 61.86 1b4c h PHE 14 Cb 0.83 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.17 1b4c h PHE 14 CO 0.07 0.19 -0.75 1.25 -2.02 0.00 0.00 178.31 177.05 1b4c h HIS 15 N 0.40 0.00 -0.61 0.41 2.76 -1.35 -3.15 115.15 113.60 1b4c h HIS 15 Ca 0.33 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.58 1b4c h HIS 15 Cb 0.74 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.64 1b4c h HIS 15 CO -0.00 0.75 0.28 0.37 -1.30 0.00 0.00 177.93 178.03 1b4c h GLN 16 N 0.00 0.49 -0.06 5.26 4.15 0.44 -1.27 115.11 124.12 1b4c h GLN 16 Ca -0.01 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 1b4c h GLN 16 Cb 1.35 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1b4c h GLN 16 CO 0.10 0.33 -0.14 1.88 -1.93 0.00 0.00 178.83 179.06 1b4c h TYR 17 N 0.51 0.27 -2.13 3.99 -1.99 -1.57 -3.31 116.97 112.72 1b4c h TYR 17 Ca 0.29 -0.10 -0.80 0.00 2.00 0.00 0.00 58.73 60.13 1b4c h TYR 17 Cb 0.29 -0.05 -0.25 0.00 2.00 0.00 0.00 36.73 38.73 1b4c h TYR 17 CO -0.13 0.74 1.23 0.43 -0.00 0.00 0.00 178.16 180.44 1b4c n SER 18 N -4.62 7.36 0.00 3.88 7.64 -0.98 -4.37 113.62 122.52 1b4c n SER 18 Ca -0.08 -3.58 0.00 0.00 1.01 0.00 0.00 58.87 56.22 1b4c n SER 18 Cb 0.38 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1b4c n SER 18 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1b4c n GLY 19 N 0.36 0.71 0.20 0.23 0.00 -0.51 -3.97 105.19 102.20 1b4c n GLY 19 Ca 0.47 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.52 1b4c n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1b4c h ARG 20 N 0.00 0.06 0.00 1.61 2.43 -1.85 -3.42 114.38 113.22 1b4c h ARG 20 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1b4c h ARG 20 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1b4c h ARG 20 CO 0.00 0.36 0.00 -1.91 -1.51 0.00 0.00 179.97 176.91 1b4c n GLU 21 N -4.16 0.00 -1.66 0.20 2.13 -1.26 -5.00 120.64 110.89 1b4c n GLU 21 Ca -0.02 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.77 1b4c n GLU 21 Cb 0.36 -0.14 -0.01 0.00 0.27 0.00 0.00 31.44 31.92 1b4c n GLU 21 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b4c n GLY 22 N 0.28 -0.03 0.44 8.31 0.00 -1.25 -4.76 105.19 108.17 1b4c n GLY 22 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.65 -2.75 1.61 1.82 -1.94 -3.41 116.42 110.10 1b4c h ASP 23 Ca -0.07 0.20 -0.46 0.00 -0.39 0.00 0.00 57.03 56.31 1b4c h ASP 23 Cb 0.55 0.65 0.08 0.00 0.68 0.00 0.00 39.33 41.29 1b4c h ASP 23 CO 0.09 -0.45 0.13 -0.54 -1.61 0.00 0.00 179.24 176.86 1b4c s LYS 24 N -5.53 1.88 -0.44 0.28 1.02 -1.26 -5.02 119.74 110.66 1b4c s LYS 24 Ca -0.14 -0.79 0.06 0.00 0.02 0.00 0.00 55.97 55.11 1b4c s LYS 24 Cb 0.07 -2.29 0.42 0.00 -0.52 0.00 0.00 37.83 35.51 1b4c s LYS 24 CO 0.57 -1.33 1.09 -2.39 -0.92 0.00 0.00 175.35 172.37 1b4c n HIS 25 N -2.83 3.36 -4.29 3.18 1.44 -1.26 -5.03 115.22 109.79 1b4c n HIS 25 Ca 0.12 -3.16 -0.18 0.00 -2.01 0.00 0.00 57.72 52.49 1b4c n HIS 25 Cb 0.60 -0.12 -0.13 0.00 0.12 0.00 0.00 29.99 30.46 1b4c n HIS 25 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 1b4c s LYS 26 N -3.52 0.78 -0.00 -1.40 -2.85 -1.26 -4.52 119.74 106.98 1b4c s LYS 26 Ca 0.47 -0.63 0.08 0.00 -1.00 0.00 0.00 55.97 54.88 1b4c s LYS 26 Cb 0.40 -0.74 -0.02 0.00 -2.06 0.00 0.00 37.83 35.40 1b4c s LYS 26 CO -0.18 0.18 -0.24 -1.17 0.10 0.00 0.00 175.35 174.05 1b4c s LEU 27 N -0.97 2.23 0.26 2.77 2.96 0.48 -4.91 118.68 121.50 1b4c s LEU 27 Ca -0.00 -0.46 -0.02 0.00 -0.22 0.00 0.00 54.13 53.43 1b4c s LEU 27 Cb -0.07 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1b4c s LEU 27 CO 0.01 0.30 0.48 -0.75 -1.32 0.00 0.00 176.35 175.07 1b4c s LYS 28 N -0.88 3.56 0.27 1.98 2.20 -1.26 0.17 119.74 125.77 1b4c s LYS 28 Ca 0.11 -0.21 -0.04 0.00 -0.36 0.00 0.00 55.97 55.46 1b4c s LYS 28 Cb -0.10 -2.74 0.33 0.00 -1.51 0.00 0.00 37.83 33.81 1b4c s LYS 28 CO 0.01 0.29 1.94 1.57 -0.36 0.00 0.00 175.35 178.79 1b4c h LYS 29 N 1.67 1.22 -0.83 4.03 2.10 -1.91 -0.36 116.57 122.49 1b4c h LYS 29 Ca -0.48 -0.08 0.02 0.00 -2.00 0.00 0.00 60.65 58.10 1b4c h LYS 29 Cb 1.20 -0.27 -0.04 0.00 -0.90 0.00 0.00 32.23 32.21 1b4c h LYS 29 CO 0.66 0.82 0.54 0.77 -2.00 0.00 0.00 179.45 180.24 1b4c h SER 30 N 1.25 0.92 0.11 7.07 0.02 -1.95 -0.10 113.55 120.86 1b4c h SER 30 Ca 0.33 -0.02 -0.24 0.00 -0.84 0.00 0.00 61.79 61.03 1b4c h SER 30 Cb -0.12 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 62.23 1b4c h SER 30 CO -0.07 0.65 -1.01 -0.33 -1.14 0.00 0.00 176.83 174.93 1b4c h GLU 31 N 1.08 0.49 -0.81 3.45 3.07 -1.86 -3.23 114.58 116.77 1b4c h GLU 31 Ca 0.31 -0.68 0.09 0.00 -0.50 0.00 0.00 59.36 58.58 1b4c h GLU 31 Cb -0.07 0.23 -0.07 0.00 -0.84 0.00 0.00 28.75 27.99 1b4c h GLU 31 CO -0.09 1.29 0.47 1.25 -1.40 0.00 0.00 179.01 180.54 1b4c h LEU 32 N 0.02 0.69 0.11 1.33 5.85 -0.86 -2.12 115.31 120.32 1b4c h LEU 32 Ca -0.16 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1b4c h LEU 32 Cb 1.73 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.63 1b4c h LEU 32 CO 0.19 0.40 -0.39 0.50 -0.34 0.00 0.00 178.44 178.80 1b4c h LYS 33 N 0.81 -0.59 -1.08 1.25 3.64 -1.04 0.17 116.57 119.73 1b4c h LYS 33 Ca 0.38 0.04 0.29 0.00 -1.27 0.00 0.00 60.65 60.09 1b4c h LYS 33 Cb 0.32 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.18 1b4c h LYS 33 CO -0.23 -0.40 0.70 0.93 -2.27 0.00 0.00 179.45 178.19 1b4c h GLU 34 N -0.62 0.31 -0.13 1.90 5.08 -1.42 0.29 114.58 120.00 1b4c h GLU 34 Ca 0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1b4c h GLU 34 Cb 0.65 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 1b4c h GLU 34 CO -0.24 0.21 0.00 -0.07 -1.00 0.00 0.00 179.01 177.91 1b4c h LEU 35 N 0.32 0.22 -1.12 1.33 3.38 -0.33 -2.66 115.31 116.45 1b4c h LEU 35 Ca 0.61 -0.30 0.17 0.00 0.09 0.00 0.00 57.88 58.45 1b4c h LEU 35 Cb 1.68 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 42.28 1b4c h LEU 35 CO -0.27 0.46 0.61 0.40 0.09 0.00 0.00 178.44 179.73 1b4c h ILE 36 N -0.03 0.78 0.00 1.22 2.04 0.99 2.30 117.51 124.80 1b4c h ILE 36 Ca 0.04 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 1b4c h ILE 36 Cb 0.35 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1b4c h ILE 36 CO 0.01 0.14 -0.06 -1.13 0.00 0.00 0.00 178.15 177.11 1b4c h ASN 37 N 0.77 0.00 0.00 1.72 -1.24 -1.00 -2.55 115.58 113.28 1b4c h ASN 37 Ca 0.52 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.53 1b4c h ASN 37 Cb 0.81 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.86 1b4c h ASN 37 CO -0.30 0.06 0.00 0.59 -1.29 0.00 0.00 177.43 176.49 1b4c n ASN 38 N -3.89 0.68 -0.10 1.15 3.02 0.79 -4.38 115.26 112.53 1b4c n ASN 38 Ca -0.03 -0.85 -0.12 0.00 -0.03 0.00 0.00 54.58 53.56 1b4c n ASN 38 Cb 0.15 0.27 -0.15 0.00 -0.61 0.00 0.00 39.78 39.44 1b4c n ASN 38 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1b4c n GLU 39 N -0.27 0.68 -1.53 3.52 2.13 0.74 -4.55 120.64 121.37 1b4c n GLU 39 Ca 0.00 0.06 -0.05 0.00 0.66 0.00 0.00 57.16 57.83 1b4c n GLU 39 Cb 0.01 -1.55 0.09 0.00 0.27 0.00 0.00 31.44 30.26 1b4c n GLU 39 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1b4c n LEU 40 N -2.90 2.97 0.22 4.31 4.77 -0.98 -4.78 117.00 120.61 1b4c n LEU 40 Ca -0.34 -3.73 0.09 0.00 -0.03 0.00 0.00 56.01 52.00 1b4c n LEU 40 Cb 1.11 -0.23 0.46 0.00 -2.33 0.00 0.00 43.42 42.43 1b4c n LEU 40 CO 0.40 1.43 0.79 0.77 -1.33 0.00 0.00 177.39 179.44 1b4c h SER 41 N 1.61 0.00 -0.09 -1.43 4.64 -1.76 -2.02 113.55 114.50 1b4c h SER 41 Ca 0.06 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.21 1b4c h SER 41 Cb 1.36 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.46 1b4c h SER 41 CO 0.29 0.26 -0.60 0.45 -0.87 0.00 0.00 176.83 176.36 1b4c h HIS 42 N 0.00 0.77 0.00 4.77 3.86 -1.94 -3.22 115.15 119.40 1b4c h HIS 42 Ca -0.00 -0.36 -0.04 0.00 -1.16 0.00 0.00 60.37 58.81 1b4c h HIS 42 Cb 0.73 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1b4c h HIS 42 CO 0.00 1.15 -0.21 0.74 0.86 0.00 0.00 177.93 180.47 1b4c h PHE 43 N 0.16 0.00 -0.86 2.45 0.04 -1.91 -3.21 116.94 113.60 1b4c h PHE 43 Ca -0.05 0.00 0.25 0.00 2.80 0.00 0.00 57.97 60.97 1b4c h PHE 43 Cb 1.25 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.37 1b4c h PHE 43 CO 0.11 0.21 0.78 1.25 -0.60 0.00 0.00 178.31 180.06 1b4c h LEU 44 N 0.00 0.00 0.12 1.54 7.12 -1.37 0.38 115.31 123.11 1b4c h LEU 44 Ca -0.00 0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.71 1b4c h LEU 44 Cb 1.04 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 41.20 1b4c h LEU 44 CO 0.03 0.00 -1.27 -0.33 -0.13 0.00 0.00 178.44 176.74 1b4c h GLU 45 N 0.00 0.56 -2.71 1.25 5.08 -1.73 -3.34 114.58 113.70 1b4c h GLU 45 Ca 0.41 -0.79 -0.71 0.00 -1.00 0.00 0.00 59.36 57.27 1b4c h GLU 45 Cb 1.96 0.27 -0.08 0.00 0.50 0.00 0.00 28.75 31.40 1b4c h GLU 45 CO -0.00 1.36 2.78 0.39 -1.00 0.00 0.00 179.01 182.53 1b4c n GLU 46 N -3.75 4.25 -4.05 2.33 1.02 0.14 -4.85 120.64 115.72 1b4c n GLU 46 Ca -0.13 -3.02 -0.32 0.00 -0.02 0.00 0.00 57.16 53.67 1b4c n GLU 46 Cb 1.00 -2.66 -0.15 0.00 -0.02 0.00 0.00 31.44 29.61 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 -0.15 2.24 -0.13 -3.67 -1.09 -1.25 -4.80 121.20 112.35 1b4c s ILE 47 Ca 0.59 -1.81 -0.10 0.00 -2.23 0.00 0.00 60.65 57.10 1b4c s ILE 47 Cb 0.19 -2.41 -0.07 0.00 -1.58 0.00 0.00 42.46 38.59 1b4c s ILE 47 CO -0.09 -0.18 0.12 0.11 -1.23 0.00 0.00 174.94 173.68 1b4c h LYS 48 N 7.74 0.00 -6.39 2.79 1.79 -1.90 -3.43 116.57 117.17 1b4c h LYS 48 Ca -0.15 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.75 1b4c h LYS 48 Cb 1.04 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.64 1b4c h LYS 48 CO 0.48 0.28 1.00 -1.21 -1.08 0.00 0.00 179.45 178.92 1b4c s GLU 49 N -1.92 3.84 0.14 3.15 8.01 -1.26 -4.86 118.70 125.79 1b4c s GLU 49 Ca -0.10 1.19 0.19 0.00 0.01 0.00 0.00 54.97 56.25 1b4c s GLU 49 Cb 0.00 -3.92 -0.06 0.00 -4.31 0.00 0.00 34.13 25.85 1b4c s GLU 49 CO 0.24 -1.22 0.97 0.37 0.01 0.00 0.00 175.26 175.63 1b4c h GLN 50 N 9.63 0.00 0.00 1.61 4.15 -2.00 -3.35 115.11 125.15 1b4c h GLN 50 Ca -0.27 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.08 1b4c h GLN 50 Cb 1.10 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1b4c h GLN 50 CO 1.04 0.20 -0.36 1.49 -1.93 0.00 0.00 178.83 179.28 1b4c h GLU 51 N 0.00 0.00 -0.05 1.69 4.81 -1.99 -1.86 114.58 117.18 1b4c h GLU 51 Ca -0.09 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.97 1b4c h GLU 51 Cb 1.36 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.75 1b4c h GLU 51 CO 0.03 0.36 -0.61 -0.39 -0.73 0.00 0.00 179.01 177.67 1b4c h VAL 52 N 0.00 1.38 -0.21 0.32 -1.51 -1.98 -2.87 116.25 111.38 1b4c h VAL 52 Ca -0.00 -1.98 -0.10 0.00 -1.23 0.00 0.00 66.70 63.38 1b4c h VAL 52 Cb 1.01 2.38 -0.01 0.00 -2.13 0.00 0.00 31.29 32.54 1b4c h VAL 52 CO 0.05 0.59 -0.31 0.58 -1.23 0.00 0.00 177.57 177.24 1b4c h VAL 53 N 0.06 1.28 -0.75 7.19 2.07 -1.69 -2.79 116.25 121.62 1b4c h VAL 53 Ca -0.06 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.15 1b4c h VAL 53 Cb 1.28 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 1b4c h VAL 53 CO 0.12 0.42 0.45 0.44 0.02 0.00 0.00 177.57 179.02 1b4c h ASP 54 N 0.36 0.70 0.66 0.57 3.32 -1.29 -1.13 116.42 119.61 1b4c h ASP 54 Ca 0.05 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1b4c h ASP 54 Cb 0.73 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 1b4c h ASP 54 CO 0.06 0.46 -0.36 0.11 -1.72 0.00 0.00 179.24 177.78 1b4c h LYS 55 N 0.83 0.00 0.46 3.56 1.79 -1.27 -2.76 116.57 119.18 1b4c h LYS 55 Ca 0.32 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.77 1b4c h LYS 55 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 1b4c h LYS 55 CO -0.16 0.36 -0.22 0.28 -1.08 0.00 0.00 179.45 178.63 1b4c h VAL 56 N 0.00 0.52 -0.60 0.50 2.07 -1.02 2.02 116.25 119.74 1b4c h VAL 56 Ca -0.00 -0.26 0.18 0.00 0.82 0.00 0.00 66.70 67.43 1b4c h VAL 56 Cb 0.79 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1b4c h VAL 56 CO 0.05 0.05 0.48 0.24 0.02 0.00 0.00 177.57 178.41 1b4c h MET 57 N -0.79 0.00 0.13 1.57 2.86 -1.33 0.99 114.93 118.37 1b4c h MET 57 Ca -0.06 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.22 1b4c h MET 57 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1b4c h MET 57 CO 0.10 0.00 -1.88 1.49 1.06 0.00 0.00 176.91 177.68 1b4c h GLU 58 N 0.00 0.28 -0.42 1.72 4.57 -1.07 -2.15 114.58 117.51 1b4c h GLU 58 Ca 0.29 -0.47 -0.15 0.00 -1.18 0.00 0.00 59.36 57.85 1b4c h GLU 58 Cb 1.25 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 30.01 1b4c h GLU 58 CO -0.00 1.18 -0.32 1.15 -1.18 0.00 0.00 179.01 179.84 1b4c h THR 59 N 0.08 1.27 0.39 0.32 2.02 0.50 -0.76 112.91 116.73 1b4c h THR 59 Ca -0.38 -1.49 -0.02 0.00 0.77 0.00 0.00 66.41 65.29 1b4c h THR 59 Cb 2.05 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1b4c h THR 59 CO 0.12 0.50 -0.19 0.25 0.37 0.00 0.00 175.52 176.57 1b4c h LEU 60 N 0.79 -0.44 -1.35 2.58 5.85 0.80 -2.45 115.31 121.08 1b4c h LEU 60 Ca 0.08 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1b4c h LEU 60 Cb 0.90 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1b4c h LEU 60 CO 0.08 -0.02 0.41 0.44 -0.34 0.00 0.00 178.44 179.01 1b4c h ASP 61 N -0.98 0.00 -1.10 1.25 3.32 -1.37 0.27 116.42 117.81 1b4c h ASP 61 Ca -0.05 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.31 1b4c h ASP 61 Cb 0.54 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.80 1b4c h ASP 61 CO 0.09 0.00 0.88 -0.62 -1.72 0.00 0.00 179.24 177.87 1b4c n GLU 62 N -2.55 2.71 -0.42 3.56 1.02 -0.29 -4.67 120.64 120.00 1b4c n GLU 62 Ca -0.01 -3.32 0.35 0.00 -0.02 0.00 0.00 57.16 54.15 1b4c n GLU 62 Cb 0.44 -2.29 0.66 0.00 -0.02 0.00 0.00 31.44 30.23 1b4c n GLU 62 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1b4c h ASP 63 N 2.10 0.21 0.00 1.62 2.03 -0.51 -3.43 116.42 118.45 1b4c h ASP 63 Ca 0.60 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.98 1b4c h ASP 63 Cb 0.74 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1b4c h ASP 63 CO 1.57 -0.05 0.00 0.61 -1.03 0.00 0.00 179.24 180.35 1b4c n GLY 64 N -1.61 0.00 0.08 7.15 0.00 -1.26 -4.49 105.19 105.05 1b4c n GLY 64 Ca 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 1b4c n GLY 64 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4c n ASP 65 N 0.00 1.29 0.00 1.61 -0.08 -1.26 -5.01 116.55 113.09 1b4c n ASP 65 Ca 0.00 -0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1b4c n ASP 65 Cb 0.00 0.72 0.00 0.00 2.34 0.00 0.00 41.12 44.18 1b4c n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b4c n GLY 66 N 2.10 2.74 3.15 0.27 0.00 -1.26 -5.00 105.19 107.18 1b4c n GLY 66 Ca -0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1b4c n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1b4c s GLU 67 N -0.18 0.29 -0.21 1.61 -1.05 -1.26 -4.85 118.70 113.04 1b4c s GLU 67 Ca 0.00 0.62 -0.08 0.00 -0.15 0.00 0.00 54.97 55.37 1b4c s GLU 67 Cb 0.00 -0.07 -0.04 0.00 -0.44 0.00 0.00 34.13 33.58 1b4c s GLU 67 CO 0.00 -0.15 0.07 0.00 0.95 0.00 0.00 175.26 176.13 1b4c n ASP 69 N 3.99 0.05 0.13 0.00 2.03 -1.26 0.18 116.55 121.67 1b4c n ASP 69 Ca -0.16 -1.13 -0.01 0.00 0.52 0.00 0.00 54.79 54.01 1b4c n ASP 69 Cb 0.52 -0.23 0.14 0.00 -0.72 0.00 0.00 41.12 40.83 1b4c n ASP 69 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1b4c h PHE 70 N -1.11 0.00 -0.47 -0.67 3.04 -1.95 -2.89 116.94 112.89 1b4c h PHE 70 Ca -0.10 0.00 -0.05 0.00 3.98 0.00 0.00 57.97 61.80 1b4c h PHE 70 Cb 0.28 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 1b4c h PHE 70 CO 0.00 0.63 0.08 0.37 -2.02 0.00 0.00 178.31 177.38 1b4c h GLN 71 N 0.00 0.72 0.00 1.11 4.15 -1.97 -1.30 115.11 117.82 1b4c h GLN 71 Ca -0.01 -0.15 -0.06 0.00 0.77 0.00 0.00 58.65 59.20 1b4c h GLN 71 Cb 1.20 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1b4c h GLN 71 CO 0.08 0.68 -0.29 0.93 -1.93 0.00 0.00 178.83 178.30 1b4c h GLU 72 N 0.69 0.00 -0.14 1.69 5.08 -1.87 -2.53 114.58 117.51 1b4c h GLU 72 Ca 0.15 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.33 1b4c h GLU 72 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1b4c h GLU 72 CO 0.00 0.29 -0.62 0.35 -1.00 0.00 0.00 179.01 178.04 1b4c h PHE 73 N 0.00 0.89 0.13 4.33 3.04 -1.11 -1.16 116.94 123.07 1b4c h PHE 73 Ca -0.00 -0.39 -0.01 0.00 3.98 0.00 0.00 57.97 61.55 1b4c h PHE 73 Cb 0.83 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.20 1b4c h PHE 73 CO 0.00 1.19 -0.06 1.98 -2.02 0.00 0.00 178.31 179.40 1b4c h MET 74 N 0.34 -0.17 0.15 1.11 4.05 -1.23 0.98 114.93 120.16 1b4c h MET 74 Ca -0.04 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1b4c h MET 74 Cb 1.25 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 32.06 1b4c h MET 74 CO 0.13 0.13 -0.25 0.00 0.23 0.00 0.00 176.91 177.15 1b4c h ALA 75 N 0.35 -0.44 -0.70 0.39 0.00 -1.50 0.57 119.26 117.94 1b4c h ALA 75 Ca -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1b4c h ALA 75 Cb 0.37 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1b4c h ALA 75 CO 0.03 -0.79 0.46 0.74 0.00 0.00 0.00 179.25 179.69 1b4c h PHE 76 N -0.47 0.87 -0.15 0.00 0.04 -1.21 -0.52 116.94 115.50 1b4c h PHE 76 Ca 0.02 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.68 1b4c h PHE 76 Cb 0.48 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1b4c h PHE 76 CO -0.21 0.55 -0.45 0.28 -0.60 0.00 0.00 178.31 177.87 1b4c h VAL 77 N 0.94 1.32 0.10 -0.55 2.07 -0.01 -3.03 116.25 117.10 1b4c h VAL 77 Ca 0.26 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1b4c h VAL 77 Cb -0.10 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1b4c h VAL 77 CO -0.06 0.50 -0.05 0.77 0.02 0.00 0.00 177.57 178.75 1b4c h SER 78 N 0.31 -0.12 -0.98 0.57 4.64 0.15 -2.32 113.55 115.80 1b4c h SER 78 Ca 0.02 -0.34 0.23 0.00 -0.47 0.00 0.00 61.79 61.23 1b4c h SER 78 Cb 0.92 0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 62.95 1b4c h SER 78 CO 0.08 0.29 0.63 0.24 -0.87 0.00 0.00 176.83 177.20 1b4c h MET 79 N -0.55 0.46 -0.04 4.77 2.07 -1.14 2.31 114.93 122.81 1b4c h MET 79 Ca -0.01 -0.03 -0.04 0.00 -2.07 0.00 0.00 59.70 57.54 1b4c h MET 79 Cb 0.45 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.08 1b4c h MET 79 CO 0.02 0.30 -0.15 0.28 1.07 0.00 0.00 176.91 178.44 1b4c h VAL 80 N 0.47 1.46 -0.25 -2.22 2.07 -1.42 -0.13 116.25 116.24 1b4c h VAL 80 Ca 0.54 -1.59 -0.15 0.00 0.82 0.00 0.00 66.70 66.32 1b4c h VAL 80 Cb 1.26 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 1b4c h VAL 80 CO -0.27 0.44 -0.46 0.74 0.02 0.00 0.00 177.57 178.04 1b4c h THR 81 N -0.39 1.30 0.00 2.57 2.02 -0.62 -2.82 112.91 114.98 1b4c h THR 81 Ca -0.01 -1.66 -0.06 0.00 0.77 0.00 0.00 66.41 65.45 1b4c h THR 81 Cb 0.79 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1b4c h THR 81 CO 0.03 0.53 -0.31 0.74 0.37 0.00 0.00 175.52 176.88 1b4c h THR 82 N 0.51 0.88 -0.85 3.16 2.02 0.38 -2.60 112.91 116.41 1b4c h THR 82 Ca 0.03 -1.21 0.08 0.00 0.77 0.00 0.00 66.41 66.08 1b4c h THR 82 Cb 1.00 1.72 -0.06 0.00 -1.74 0.00 0.00 68.15 69.07 1b4c h THR 82 CO 0.09 0.30 0.55 0.00 0.37 0.00 0.00 175.52 176.84 1b4c h ALA 83 N 1.69 1.63 0.00 6.16 0.00 -0.74 -0.50 119.26 127.51 1b4c h ALA 83 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1b4c h ALA 83 Cb 0.70 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1b4c h ALA 83 CO 0.04 0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.49 1b4c n HIS 85 N 1.77 -2.03 -1.46 0.00 -0.00 -0.20 -2.48 115.22 110.82 1b4c n HIS 85 Ca 0.04 0.12 -0.16 0.00 0.46 0.00 0.00 57.72 58.17 1b4c n HIS 85 Cb 0.39 -1.41 -0.07 0.00 -0.12 0.00 0.00 29.99 28.78 1b4c n HIS 85 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1b4c n GLU 86 N -1.20 -1.44 0.28 1.57 2.13 -1.26 -4.77 120.64 115.95 1b4c n GLU 86 Ca 0.04 1.00 0.14 0.00 0.66 0.00 0.00 57.16 59.00 1b4c n GLU 86 Cb 0.41 -5.32 0.81 0.00 0.27 0.00 0.00 31.44 27.61 1b4c n GLU 86 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1b4c h PHE 87 N 0.00 0.00 -1.04 4.31 -5.15 -1.89 -2.05 116.94 111.12 1b4c h PHE 87 Ca -0.34 0.00 0.29 0.00 -0.20 0.00 0.00 57.97 57.73 1b4c h PHE 87 Cb 1.13 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 37.25 1b4c h PHE 87 CO 0.50 0.08 0.74 0.74 -2.00 0.00 0.00 178.31 178.36 1b4c h PHE 88 N 0.00 0.11 -1.19 6.09 0.04 -1.88 -0.56 116.94 119.54 1b4c h PHE 88 Ca -0.00 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.13 1b4c h PHE 88 Cb 0.23 -0.03 -0.16 0.00 2.20 0.00 0.00 35.95 38.18 1b4c h PHE 88 CO 0.00 0.01 1.41 0.39 -0.60 0.00 0.00 178.31 179.52 1b4c n GLU 89 N -4.29 3.62 -1.98 1.51 1.02 -0.77 -4.98 120.64 114.77 1b4c n GLU 89 Ca 0.22 -3.03 -0.41 0.00 -0.02 0.00 0.00 57.16 53.92 1b4c n GLU 89 Cb 1.06 -2.40 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 1b4c n GLU 89 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1b4c s HIS 90 N -1.65 2.97 0.00 -0.32 2.46 -0.22 -5.13 115.29 113.40 1b4c s HIS 90 Ca 0.55 1.04 0.00 0.00 0.47 0.00 0.00 55.06 57.12 1b4c s HIS 90 Cb 0.28 -3.85 0.00 0.00 -0.13 0.00 0.00 32.58 28.88 1b4c s HIS 90 CO -0.16 -2.72 0.00 0.39 -2.47 0.00 0.00 174.74 169.77