#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 1.48 0.44 3.17 1.04 -1.26 -4.75 113.70 113.82 1b4c s SER 1 Ca 0.00 1.30 0.13 0.00 0.48 0.00 0.00 55.95 57.86 1b4c s SER 1 Cb 0.00 -2.02 1.02 0.00 0.10 0.00 0.00 66.02 65.12 1b4c s SER 1 CO 0.00 -3.86 2.01 -0.33 0.98 0.00 0.00 173.24 172.04 1b4c h GLU 2 N -2.39 0.39 -0.00 4.02 4.39 -2.06 -2.17 114.58 116.76 1b4c h GLU 2 Ca -0.59 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.09 1b4c h GLU 2 Cb 1.34 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.90 1b4c h GLU 2 CO 0.53 0.26 0.00 1.25 -1.16 0.00 0.00 179.01 179.89 1b4c h LEU 3 N 0.40 0.00 -0.48 1.33 6.46 -1.99 -2.65 115.31 118.39 1b4c h LEU 3 Ca 0.23 -0.17 0.09 0.00 -0.12 0.00 0.00 57.88 57.90 1b4c h LEU 3 Cb 0.38 -0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.24 1b4c h LEU 3 CO -0.06 0.17 0.04 -0.33 -0.62 0.00 0.00 178.44 177.64 1b4c h GLU 4 N -0.17 0.15 -0.85 1.25 3.07 -1.72 0.38 114.58 116.69 1b4c h GLU 4 Ca 0.00 -0.01 0.19 0.00 -0.50 0.00 0.00 59.36 59.04 1b4c h GLU 4 Cb 0.17 -0.03 -0.11 0.00 -0.84 0.00 0.00 28.75 27.93 1b4c h GLU 4 CO -0.00 0.10 0.37 0.87 -1.40 0.00 0.00 179.01 178.95 1b4c h LYS 5 N 0.16 0.43 0.02 2.33 1.57 -1.31 0.62 116.57 120.39 1b4c h LYS 5 Ca 0.24 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.79 1b4c h LYS 5 Cb 0.34 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.53 1b4c h LYS 5 CO -0.36 0.29 -0.95 0.00 -0.57 0.00 0.00 179.45 177.85 1b4c h ALA 6 N 1.64 0.44 -0.19 3.86 0.00 -0.61 -1.50 119.26 122.90 1b4c h ALA 6 Ca 0.50 -0.83 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1b4c h ALA 6 Cb 0.87 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1b4c h ALA 6 CO -0.47 1.09 0.09 1.98 0.00 0.00 0.00 179.25 181.95 1b4c h MET 7 N 0.03 0.28 -0.33 0.00 -1.53 0.18 -0.31 114.93 113.25 1b4c h MET 7 Ca -0.03 -0.04 -0.13 0.00 -3.44 0.00 0.00 59.70 56.06 1b4c h MET 7 Cb 1.65 -0.05 -0.01 0.00 -0.55 0.00 0.00 31.60 32.64 1b4c h MET 7 CO 0.13 0.31 -0.32 0.28 0.14 0.00 0.00 176.91 177.45 1b4c h VAL 8 N 0.19 1.28 -0.30 -5.77 2.07 -1.23 -2.99 116.25 109.50 1b4c h VAL 8 Ca 0.07 -1.46 0.03 0.00 0.82 0.00 0.00 66.70 66.16 1b4c h VAL 8 Cb 0.12 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1b4c h VAL 8 CO -0.01 0.48 0.10 0.00 0.02 0.00 0.00 177.57 178.16 1b4c h ALA 9 N 1.03 0.34 -0.74 1.67 0.00 -0.84 -1.35 119.26 119.38 1b4c h ALA 9 Ca 0.07 0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.18 1b4c h ALA 9 Cb 0.84 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 1b4c h ALA 9 CO 0.07 -0.31 0.05 -0.07 0.00 0.00 0.00 179.25 178.99 1b4c h LEU 10 N 0.23 -0.26 -0.64 0.00 3.38 -0.91 0.61 115.31 117.71 1b4c h LEU 10 Ca 0.14 0.18 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 1b4c h LEU 10 Cb 0.11 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1b4c h LEU 10 CO -0.15 -0.15 0.39 0.40 0.09 0.00 0.00 178.44 179.03 1b4c h ILE 11 N 0.14 1.18 -0.53 1.22 2.04 -1.31 0.29 117.51 120.54 1b4c h ILE 11 Ca 0.41 -0.39 0.11 0.00 1.00 0.00 0.00 64.86 65.98 1b4c h ILE 11 Cb 0.72 0.29 -0.10 0.00 -0.74 0.00 0.00 36.82 36.98 1b4c h ILE 11 CO -0.62 0.19 -0.16 -0.78 0.00 0.00 0.00 178.15 176.78 1b4c h ASP 12 N 0.87 -0.58 0.52 1.72 3.58 0.12 -1.01 116.42 121.64 1b4c h ASP 12 Ca 0.23 0.17 -0.22 0.00 0.42 0.00 0.00 57.03 57.63 1b4c h ASP 12 Cb -0.04 0.36 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1b4c h ASP 12 CO -0.04 -0.20 -0.94 0.58 -2.88 0.00 0.00 179.24 175.75 1b4c h VAL 13 N -0.03 1.47 -0.42 2.25 2.07 -0.86 -2.17 116.25 118.56 1b4c h VAL 13 Ca 0.25 -2.64 -0.02 0.00 0.82 0.00 0.00 66.70 65.12 1b4c h VAL 13 Cb 0.42 2.52 -0.02 0.00 -1.52 0.00 0.00 31.29 32.69 1b4c h VAL 13 CO -0.56 0.77 0.19 0.15 0.02 0.00 0.00 177.57 178.14 1b4c h PHE 14 N 0.14 0.57 0.06 1.57 3.57 -0.02 -2.25 116.94 120.57 1b4c h PHE 14 Ca -0.06 -0.01 -0.25 0.00 3.53 0.00 0.00 57.97 61.17 1b4c h PHE 14 Cb 1.59 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 40.13 1b4c h PHE 14 CO 0.04 0.43 -1.19 1.25 -2.23 0.00 0.00 178.31 176.61 1b4c h HIS 15 N 0.58 0.23 -0.59 0.41 2.76 -1.20 -3.15 115.15 114.19 1b4c h HIS 15 Ca 0.15 -0.17 0.09 0.00 -2.20 0.00 0.00 60.37 58.24 1b4c h HIS 15 Cb 0.07 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 28.96 1b4c h HIS 15 CO 0.00 1.15 0.22 0.37 -1.30 0.00 0.00 177.93 178.37 1b4c h GLN 16 N 0.03 0.39 -0.06 5.26 5.75 -0.77 0.14 115.11 125.84 1b4c h GLN 16 Ca -0.10 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 1b4c h GLN 16 Cb 1.89 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.35 1b4c h GLN 16 CO 0.16 0.26 -0.12 1.88 -2.65 0.00 0.00 178.83 178.35 1b4c h TYR 17 N 0.40 0.25 -2.31 3.99 -1.99 -1.63 -3.31 116.97 112.36 1b4c h TYR 17 Ca 0.29 -0.09 -0.81 0.00 2.00 0.00 0.00 58.73 60.13 1b4c h TYR 17 Cb 0.35 -0.05 -0.27 0.00 2.00 0.00 0.00 36.73 38.77 1b4c h TYR 17 CO -0.17 0.72 1.01 -1.13 -0.00 0.00 0.00 178.16 178.59 1b4c n SER 18 N -4.64 7.27 0.00 3.88 3.41 -0.92 -4.39 113.62 118.23 1b4c n SER 18 Ca -0.08 -3.66 0.00 0.00 -0.26 0.00 0.00 58.87 54.87 1b4c n SER 18 Cb 0.36 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.14 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 0.07 0.69 0.20 5.00 0.00 -0.01 -3.96 105.19 107.18 1b4c n GLY 19 Ca 0.45 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.84 -3.41 114.38 113.82 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 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1b4c h ARG 20 CO 0.00 0.29 0.00 -0.85 -1.07 0.00 0.00 179.97 178.34 1b4c n GLU 21 N -4.13 0.00 -0.95 0.04 0.28 -1.26 -4.98 120.64 109.63 1b4c n GLU 21 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 56.94 1b4c n GLU 21 Cb 0.34 -0.13 -0.02 0.00 1.43 0.00 0.00 31.44 33.06 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 0.36 0.35 0.32 -1.84 0.00 -1.25 -4.72 105.19 98.41 1b4c n GLY 22 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1b4c n GLY 22 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b4c h ASP 23 N 0.00 -1.03 -5.37 1.61 3.32 -1.93 -3.40 116.42 109.61 1b4c h ASP 23 Ca -0.08 0.19 -0.47 0.00 0.02 0.00 0.00 57.03 56.70 1b4c h ASP 23 Cb 0.28 0.49 0.10 0.00 0.22 0.00 0.00 39.33 40.43 1b4c h ASP 23 CO 0.11 -0.31 0.16 0.29 -1.72 0.00 0.00 179.24 177.78 1b4c n LYS 24 N -5.42 -0.30 -2.57 3.56 4.76 -1.26 -5.04 118.16 111.90 1b4c n LYS 24 Ca 0.02 -2.70 -0.12 0.00 -2.87 0.00 0.00 58.31 52.64 1b4c n LYS 24 Cb 0.33 -0.78 0.03 0.00 -1.84 0.00 0.00 35.03 32.77 1b4c n LYS 24 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1b4c n HIS 25 N -3.03 1.89 -4.03 2.13 8.25 -1.26 -5.06 115.22 114.10 1b4c n HIS 25 Ca 0.17 -2.58 -0.11 0.00 -0.26 0.00 0.00 57.72 54.93 1b4c n HIS 25 Cb 0.60 -0.27 -0.11 0.00 1.12 0.00 0.00 29.99 31.33 1b4c n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1b4c s LYS 26 N -3.48 0.45 0.00 -0.41 1.02 -1.26 -4.70 119.74 111.36 1b4c s LYS 26 Ca 0.35 -0.71 0.07 0.00 0.02 0.00 0.00 55.97 55.70 1b4c s LYS 26 Cb 0.40 -0.14 -0.03 0.00 -0.52 0.00 0.00 37.83 37.54 1b4c s LYS 26 CO -0.03 0.01 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.68 1b4c s LEU 27 N -1.56 2.32 0.18 3.17 1.43 0.26 -4.91 118.68 119.57 1b4c s LEU 27 Ca -0.12 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.47 1b4c s LEU 27 Cb -0.10 -1.40 -0.06 0.00 0.03 0.00 0.00 46.19 44.66 1b4c s LEU 27 CO -0.00 0.30 0.46 -0.54 0.23 0.00 0.00 176.35 176.79 1b4c s LYS 28 N -0.97 3.72 0.31 1.70 1.02 -1.26 0.15 119.74 124.41 1b4c s LYS 28 Ca 0.12 0.10 0.04 0.00 0.02 0.00 0.00 55.97 56.25 1b4c s LYS 28 Cb -0.10 -2.77 0.66 0.00 -0.52 0.00 0.00 37.83 35.09 1b4c s LYS 28 CO 0.01 0.41 1.86 1.57 -0.92 0.00 0.00 175.35 178.28 1b4c h LYS 29 N 2.79 0.85 -0.43 1.68 -0.00 -1.90 0.82 116.57 120.38 1b4c h LYS 29 Ca -0.47 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.65 60.12 1b4c h LYS 29 Cb 1.17 -0.19 -0.02 0.00 -0.00 0.00 0.00 32.23 33.19 1b4c h LYS 29 CO 0.70 0.56 0.23 0.66 -0.00 0.00 0.00 179.45 181.61 1b4c h SER 30 N 0.88 0.55 0.49 7.07 4.64 -1.93 0.20 113.55 125.45 1b4c h SER 30 Ca 0.46 -0.10 -0.30 0.00 -0.47 0.00 0.00 61.79 61.38 1b4c h SER 30 Cb 0.54 -0.14 0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1b4c h SER 30 CO -0.23 0.49 -1.35 -0.33 -0.87 0.00 0.00 176.83 174.55 1b4c h GLU 31 N 0.56 0.36 -0.69 4.77 4.39 -1.70 -3.23 114.58 119.04 1b4c h GLU 31 Ca 0.15 -0.62 0.01 0.00 0.34 0.00 0.00 59.36 59.24 1b4c h GLU 31 Cb 0.07 0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1b4c h GLU 31 CO -0.02 1.29 0.45 1.25 -1.16 0.00 0.00 179.01 180.82 1b4c h LEU 32 N 0.10 0.78 0.01 1.33 5.85 0.78 -2.51 115.31 121.64 1b4c h LEU 32 Ca -0.18 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.55 1b4c h LEU 32 Cb 2.04 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.84 1b4c h LEU 32 CO 0.23 0.56 -0.34 0.50 -0.34 0.00 0.00 178.44 179.05 1b4c h LYS 33 N 0.92 -0.48 -1.10 1.25 3.64 -0.64 0.13 116.57 120.30 1b4c h LYS 33 Ca 0.26 0.03 0.30 0.00 -1.27 0.00 0.00 60.65 59.97 1b4c h LYS 33 Cb -0.08 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 31.75 1b4c h LYS 33 CO -0.07 -0.32 0.72 1.49 -2.27 0.00 0.00 179.45 179.00 1b4c h GLU 34 N -0.49 0.29 -0.49 1.90 4.57 -1.48 0.41 114.58 119.29 1b4c h GLU 34 Ca 0.06 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.11 1b4c h GLU 34 Cb 0.58 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1b4c h GLU 34 CO -0.27 0.19 -0.14 1.25 -1.18 0.00 0.00 179.01 178.87 1b4c h LEU 35 N 0.30 0.93 -1.61 1.64 5.85 -0.45 -2.61 115.31 119.36 1b4c h LEU 35 Ca 0.62 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 59.04 1b4c h LEU 35 Cb 1.75 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.51 1b4c h LEU 35 CO -0.28 1.07 0.27 0.40 -0.34 0.00 0.00 178.44 179.56 1b4c h ILE 36 N 0.83 1.09 0.41 4.05 2.04 0.53 -2.26 117.51 124.20 1b4c h ILE 36 Ca 0.13 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1b4c h ILE 36 Cb 0.68 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1b4c h ILE 36 CO 0.05 0.10 -0.20 -1.13 0.00 0.00 0.00 178.15 176.97 1b4c h ASN 37 N 0.54 -0.47 -0.04 1.72 -1.24 -1.12 0.67 115.58 115.64 1b4c h ASN 37 Ca 0.15 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1b4c h ASN 37 Cb -0.04 0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.13 1b4c h ASN 37 CO -0.03 -0.13 0.00 -3.20 -1.29 0.00 0.00 177.43 172.78 1b4c n ASN 38 N -5.22 0.32 0.00 1.15 5.15 -1.17 -2.70 115.26 112.80 1b4c n ASN 38 Ca -0.10 -1.59 0.00 0.00 -0.60 0.00 0.00 54.58 52.29 1b4c n ASN 38 Cb 0.29 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.51 1b4c n ASN 38 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1b4c n GLU 39 N -0.52 2.63 -0.32 1.20 -0.58 -0.86 -4.73 120.64 117.47 1b4c n GLU 39 Ca 0.12 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.93 1b4c n GLU 39 Cb 0.10 -0.94 0.18 0.00 -0.57 0.00 0.00 31.44 30.21 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 -1.66 2.75 0.16 -4.62 4.32 0.22 -4.66 117.00 113.52 1b4c n LEU 40 Ca 0.00 -3.37 0.02 0.00 -0.02 0.00 0.00 56.01 52.65 1b4c n LEU 40 Cb 0.30 -0.49 0.26 0.00 -1.62 0.00 0.00 43.42 41.88 1b4c n LEU 40 CO 0.00 0.95 0.60 -1.28 -1.22 0.00 0.00 177.39 176.43 1b4c h SER 41 N 0.55 0.00 -0.00 -1.43 0.87 -1.63 -2.47 113.55 109.43 1b4c h SER 41 Ca 0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1b4c h SER 41 Cb 1.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1b4c h SER 41 CO 0.05 0.49 -0.02 0.45 -0.53 0.00 0.00 176.83 177.26 1b4c h HIS 42 N 0.00 0.03 0.00 2.24 3.86 -1.87 -3.07 115.15 116.34 1b4c h HIS 42 Ca -0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1b4c h HIS 42 Cb 0.97 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.44 1b4c h HIS 42 CO 0.00 0.71 0.00 0.74 0.86 0.00 0.00 177.93 180.24 1b4c h PHE 43 N -0.66 0.00 -0.52 2.45 0.04 -1.89 -3.07 116.94 113.29 1b4c h PHE 43 Ca -0.00 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.87 1b4c h PHE 43 Cb 0.72 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.76 1b4c h PHE 43 CO 0.17 0.00 -0.21 1.25 -0.60 0.00 0.00 178.31 178.92 1b4c h LEU 44 N 0.00 -0.73 -2.01 1.54 5.85 -1.34 0.47 115.31 119.10 1b4c h LEU 44 Ca 0.00 0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.97 1b4c h LEU 44 Cb 0.20 0.41 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1b4c h LEU 44 CO 0.00 -0.24 0.18 -0.33 -0.34 0.00 0.00 178.44 177.72 1b4c h GLU 45 N -0.09 0.00 -2.55 1.25 4.39 -1.71 -2.96 114.58 112.92 1b4c h GLU 45 Ca 0.24 0.00 -0.75 0.00 0.34 0.00 0.00 59.36 59.19 1b4c h GLU 45 Cb 0.47 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.97 1b4c h GLU 45 CO -0.58 0.00 2.17 -1.91 -1.16 0.00 0.00 179.01 177.52 1b4c n GLU 46 N -4.44 4.71 -4.00 2.33 2.13 0.17 -4.89 120.64 116.64 1b4c n GLU 46 Ca 0.03 -3.64 -0.31 0.00 0.66 0.00 0.00 57.16 53.90 1b4c n GLU 46 Cb 0.34 -2.60 -0.16 0.00 0.27 0.00 0.00 31.44 29.29 1b4c n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1b4c s ILE 47 N -1.70 1.65 -0.21 6.31 1.01 -1.12 -4.30 121.20 122.84 1b4c s ILE 47 Ca 0.52 -0.99 -0.16 0.00 0.00 0.00 0.00 60.65 60.02 1b4c s ILE 47 Cb 0.19 -1.71 -0.19 0.00 0.01 0.00 0.00 42.46 40.76 1b4c s ILE 47 CO -0.10 0.20 0.09 1.17 0.00 0.00 0.00 174.94 176.30 1b4c n LYS 48 N 4.69 0.61 -2.87 2.79 4.81 -1.25 -4.76 118.16 122.18 1b4c n LYS 48 Ca -0.15 0.43 -0.43 0.00 -0.87 0.00 0.00 58.31 57.29 1b4c n LYS 48 Cb 0.47 -1.67 -0.04 0.00 0.02 0.00 0.00 35.03 33.80 1b4c n LYS 48 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1b4c s GLU 49 N -2.44 3.36 0.28 1.64 0.41 -1.26 -4.87 118.70 115.82 1b4c s GLU 49 Ca -0.30 -0.21 0.18 0.00 -0.41 0.00 0.00 54.97 54.22 1b4c s GLU 49 Cb 0.08 -4.02 0.10 0.00 -1.78 0.00 0.00 34.13 28.50 1b4c s GLU 49 CO 0.60 -1.39 1.37 0.37 -0.49 0.00 0.00 175.26 175.72 1b4c h GLN 50 N 9.22 0.00 0.00 1.61 4.15 -1.95 -3.25 115.11 124.89 1b4c h GLN 50 Ca -0.26 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.12 1b4c h GLN 50 Cb 1.08 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 1b4c h GLN 50 CO 1.06 0.31 -0.20 0.93 -1.93 0.00 0.00 178.83 179.00 1b4c h GLU 51 N 0.00 0.00 0.01 1.69 5.08 -1.99 -1.23 114.58 118.14 1b4c h GLU 51 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1b4c h GLU 51 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1b4c h GLU 51 CO 0.04 0.20 -0.00 0.28 -1.00 0.00 0.00 179.01 178.53 1b4c h VAL 52 N 0.00 1.58 -0.26 3.13 2.07 -1.98 -2.72 116.25 118.08 1b4c h VAL 52 Ca -0.00 -1.80 -0.04 0.00 0.82 0.00 0.00 66.70 65.67 1b4c h VAL 52 Cb 0.85 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 1b4c h VAL 52 CO 0.03 0.46 -0.01 0.58 0.02 0.00 0.00 177.57 178.65 1b4c h VAL 53 N -0.79 1.17 -0.57 2.57 2.07 -1.63 -2.35 116.25 116.72 1b4c h VAL 53 Ca -0.00 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1b4c h VAL 53 Cb 0.77 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1b4c h VAL 53 CO 0.00 0.22 0.37 -0.78 0.02 0.00 0.00 177.57 177.41 1b4c h ASP 54 N 0.39 0.66 0.61 0.57 3.58 -1.21 -1.81 116.42 119.20 1b4c h ASP 54 Ca 0.09 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 1b4c h ASP 54 Cb 0.27 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1b4c h ASP 54 CO 0.01 0.48 -0.29 0.50 -2.88 0.00 0.00 179.24 177.06 1b4c h LYS 55 N 0.77 0.00 0.49 0.28 3.64 -1.10 -3.00 116.57 117.65 1b4c h LYS 55 Ca 0.21 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1b4c h LYS 55 Cb -0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1b4c h LYS 55 CO -0.04 0.29 -0.24 0.28 -2.27 0.00 0.00 179.45 177.47 1b4c h VAL 56 N 0.00 0.48 -0.32 2.00 2.07 -0.94 0.15 116.25 119.69 1b4c h VAL 56 Ca -0.00 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.36 1b4c h VAL 56 Cb 0.68 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1b4c h VAL 56 CO 0.04 0.04 0.38 0.24 0.02 0.00 0.00 177.57 178.29 1b4c h MET 57 N -0.82 0.00 0.08 1.57 2.86 -1.36 0.16 114.93 117.41 1b4c h MET 57 Ca -0.07 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.28 1b4c h MET 57 Cb 0.58 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 1b4c h MET 57 CO 0.11 0.00 -1.56 1.49 1.06 0.00 0.00 176.91 178.01 1b4c h GLU 58 N 0.00 0.16 -0.08 1.72 4.57 -1.27 -2.47 114.58 117.21 1b4c h GLU 58 Ca 0.15 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.04 1b4c h GLU 58 Cb 0.92 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1b4c h GLU 58 CO -0.00 0.96 -0.03 1.79 -1.18 0.00 0.00 179.01 180.55 1b4c h THR 59 N 0.04 1.31 0.78 0.32 1.35 0.20 0.32 112.91 117.23 1b4c h THR 59 Ca -0.24 -0.98 -0.04 0.00 -0.55 0.00 0.00 66.41 64.59 1b4c h THR 59 Cb 1.99 1.81 0.01 0.00 -1.73 0.00 0.00 68.15 70.22 1b4c h THR 59 CO 0.13 0.27 -0.37 -0.07 -0.25 0.00 0.00 175.52 175.23 1b4c h LEU 60 N -0.20 -0.88 -1.75 3.87 3.38 -1.18 -0.36 115.31 118.19 1b4c h LEU 60 Ca 0.02 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1b4c h LEU 60 Cb 0.45 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1b4c h LEU 60 CO 0.01 -0.63 0.55 -0.78 0.09 0.00 0.00 178.44 177.68 1b4c h ASP 61 N -1.05 0.00 -1.10 -0.43 3.58 -1.43 0.49 116.42 116.47 1b4c h ASP 61 Ca -0.11 0.00 -0.68 0.00 0.42 0.00 0.00 57.03 56.66 1b4c h ASP 61 Cb 0.80 0.00 -0.30 0.00 1.72 0.00 0.00 39.33 41.56 1b4c h ASP 61 CO 0.18 0.00 0.81 -0.62 -2.88 0.00 0.00 179.24 176.73 1b4c n GLU 62 N -3.38 2.75 -0.33 0.28 -0.58 0.10 -4.71 120.64 114.76 1b4c n GLU 62 Ca 0.07 -3.36 0.22 0.00 -0.42 0.00 0.00 57.16 53.67 1b4c n GLU 62 Cb 0.71 -2.29 0.45 0.00 -0.57 0.00 0.00 31.44 29.74 1b4c n GLU 62 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1b4c h ASP 63 N 2.12 0.34 0.00 1.62 3.58 0.21 -3.43 116.42 120.86 1b4c h ASP 63 Ca 0.59 0.21 0.00 0.00 0.42 0.00 0.00 57.03 58.25 1b4c h ASP 63 Cb 0.76 0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1b4c h ASP 63 CO 1.54 -0.19 0.00 0.61 -2.88 0.00 0.00 179.24 178.31 1b4c n GLY 64 N -1.31 0.00 0.07 -0.78 0.00 -1.26 -4.51 105.19 97.40 1b4c n GLY 64 Ca 0.30 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.38 1b4c n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4c n ASP 65 N 0.00 0.78 0.00 1.61 8.00 -1.26 -4.99 116.55 120.69 1b4c n ASP 65 Ca 0.00 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1b4c n ASP 65 Cb 0.00 0.87 0.00 0.00 -0.02 0.00 0.00 41.12 41.97 1b4c n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b4c n GLY 66 N 1.22 2.58 3.23 0.44 0.00 -1.26 -4.89 105.19 106.50 1b4c n GLY 66 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.00 0.37 -0.20 1.61 -1.05 -1.26 -4.87 118.70 113.29 1b4c s GLU 67 Ca 0.00 0.66 -0.07 0.00 -0.15 0.00 0.00 54.97 55.41 1b4c s GLU 67 Cb 0.00 0.02 -0.04 0.00 -0.44 0.00 0.00 34.13 33.68 1b4c s GLU 67 CO 0.00 -0.13 0.07 0.00 0.95 0.00 0.00 175.26 176.15 1b4c n ASP 69 N 3.91 0.26 0.09 0.00 2.03 -1.26 0.89 116.55 122.46 1b4c n ASP 69 Ca -0.16 -1.33 -0.07 0.00 0.52 0.00 0.00 54.79 53.74 1b4c n ASP 69 Cb 0.52 -0.41 0.04 0.00 -0.72 0.00 0.00 41.12 40.56 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 -1.03 0.27 -0.84 -0.67 3.04 -1.95 -3.04 116.94 112.71 1b4c h PHE 70 Ca -0.18 -0.13 0.08 0.00 3.98 0.00 0.00 57.97 61.71 1b4c h PHE 70 Cb 0.55 -0.04 -0.06 0.00 2.56 0.00 0.00 35.95 38.97 1b4c h PHE 70 CO 0.00 0.89 0.55 0.37 -2.02 0.00 0.00 178.31 178.10 1b4c h GLN 71 N 0.12 0.86 0.00 1.11 5.75 -1.99 0.15 115.11 121.11 1b4c h GLN 71 Ca -0.03 -0.05 -0.06 0.00 -0.15 0.00 0.00 58.65 58.36 1b4c h GLN 71 Cb 1.35 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 1b4c h GLN 71 CO 0.12 0.57 -0.30 0.93 -2.65 0.00 0.00 178.83 177.49 1b4c h GLU 72 N 0.89 0.00 0.04 1.69 5.08 -1.90 -2.47 114.58 117.91 1b4c h GLU 72 Ca 0.37 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.46 1b4c h GLU 72 Cb 0.29 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.56 1b4c h GLU 72 CO -0.14 0.30 -1.11 0.35 -1.00 0.00 0.00 179.01 177.42 1b4c h PHE 73 N 0.00 1.00 -0.14 4.33 3.57 -0.73 -1.06 116.94 123.91 1b4c h PHE 73 Ca -0.00 -0.57 -0.12 0.00 3.53 0.00 0.00 57.97 60.80 1b4c h PHE 73 Cb 0.86 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.49 1b4c h PHE 73 CO 0.00 1.41 -0.45 1.98 -2.23 0.00 0.00 178.31 179.02 1b4c h MET 74 N 0.34 0.34 0.10 1.11 4.05 -1.01 -1.31 114.93 118.55 1b4c h MET 74 Ca -0.15 -0.18 -0.00 0.00 -0.28 0.00 0.00 59.70 59.09 1b4c h MET 74 Cb 1.77 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.57 1b4c h MET 74 CO 0.21 0.72 -0.05 0.00 0.23 0.00 0.00 176.91 178.03 1b4c h ALA 75 N 1.25 -0.14 -0.63 0.39 0.00 -1.45 -2.84 119.26 115.84 1b4c h ALA 75 Ca 0.02 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.84 1b4c h ALA 75 Cb 0.90 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 1b4c h ALA 75 CO 0.07 -0.16 0.42 0.74 0.00 0.00 0.00 179.25 180.33 1b4c h PHE 76 N -0.97 0.46 -0.38 0.00 0.04 -1.26 0.19 116.94 115.02 1b4c h PHE 76 Ca -0.01 0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 1b4c h PHE 76 Cb 0.43 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1b4c h PHE 76 CO 0.09 0.21 -0.02 0.28 -0.60 0.00 0.00 178.31 178.27 1b4c h VAL 77 N 0.43 1.22 0.14 -0.55 2.07 -1.29 -2.63 116.25 115.65 1b4c h VAL 77 Ca 0.30 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1b4c h VAL 77 Cb 0.58 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1b4c h VAL 77 CO -0.09 0.31 -0.07 0.77 0.02 0.00 0.00 177.57 178.51 1b4c h SER 78 N 0.57 -0.16 -0.93 0.57 4.64 -0.40 -0.74 113.55 117.10 1b4c h SER 78 Ca 0.12 -0.31 0.19 0.00 -0.47 0.00 0.00 61.79 61.33 1b4c h SER 78 Cb 0.40 0.04 -0.11 0.00 -0.31 0.00 0.00 62.40 62.42 1b4c h SER 78 CO 0.02 0.24 0.49 -0.03 -0.87 0.00 0.00 176.83 176.68 1b4c h MET 79 N -0.60 0.57 0.02 4.77 -1.53 -1.25 0.47 114.93 117.37 1b4c h MET 79 Ca -0.02 -0.03 -0.00 0.00 -3.44 0.00 0.00 59.70 56.20 1b4c h MET 79 Cb 0.46 -0.13 0.00 0.00 -0.55 0.00 0.00 31.60 31.38 1b4c h MET 79 CO 0.03 0.38 -0.01 0.28 0.14 0.00 0.00 176.91 177.73 1b4c h VAL 80 N 0.59 1.45 -0.67 -5.77 2.07 -1.41 -2.59 116.25 109.91 1b4c h VAL 80 Ca 0.55 -1.52 0.05 0.00 0.82 0.00 0.00 66.70 66.60 1b4c h VAL 80 Cb 0.92 2.46 -0.05 0.00 -1.52 0.00 0.00 31.29 33.10 1b4c h VAL 80 CO -0.43 0.39 0.38 0.74 0.02 0.00 0.00 177.57 178.67 1b4c h THR 81 N -0.70 0.99 -0.02 2.57 2.02 -0.33 -2.40 112.91 115.04 1b4c h THR 81 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1b4c h THR 81 Cb 0.65 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1b4c h THR 81 CO 0.00 0.13 0.01 0.71 0.37 0.00 0.00 175.52 176.75 1b4c h THR 82 N 0.72 1.00 0.00 3.16 1.35 -0.15 -0.62 112.91 118.36 1b4c h THR 82 Ca 0.29 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.15 1b4c h THR 82 Cb 0.15 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.54 1b4c h THR 82 CO -0.17 0.00 0.24 0.00 -0.25 0.00 0.00 175.52 175.35 1b4c n ALA 83 N -2.10 0.69 0.74 6.62 0.00 -0.92 0.72 120.51 126.26 1b4c n ALA 83 Ca -0.07 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.62 1b4c n ALA 83 Cb 0.03 -0.85 0.49 0.00 0.00 0.00 0.00 19.45 19.12 1b4c n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b4c n HIS 85 N -1.84 -0.82 -0.75 0.00 8.25 0.22 -4.67 115.22 115.61 1b4c n HIS 85 Ca 0.05 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.51 1b4c n HIS 85 Cb 0.34 0.12 -0.00 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.31 -1.97 0.27 -0.41 -0.58 -1.26 -4.78 120.64 111.61 1b4c n GLU 86 Ca 0.00 0.38 -0.16 0.00 -0.42 0.00 0.00 57.16 56.97 1b4c n GLU 86 Cb 0.00 -4.34 -0.08 0.00 -0.57 0.00 0.00 31.44 26.45 1b4c n GLU 86 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1b4c h PHE 87 N 0.00 -0.61 0.05 -0.32 3.04 -1.91 -2.21 116.94 114.98 1b4c h PHE 87 Ca -0.01 -0.01 -0.30 0.00 3.98 0.00 0.00 57.97 61.62 1b4c h PHE 87 Cb 0.73 0.20 -0.03 0.00 2.56 0.00 0.00 35.95 39.41 1b4c h PHE 87 CO 0.45 -0.34 -1.69 0.74 -2.02 0.00 0.00 178.31 175.45 1b4c h PHE 88 N -0.72 0.17 -2.26 0.41 0.04 -2.01 -3.37 116.94 109.21 1b4c h PHE 88 Ca -0.07 -0.13 -0.81 0.00 2.80 0.00 0.00 57.97 59.77 1b4c h PHE 88 Cb 0.53 -0.01 -0.27 0.00 2.20 0.00 0.00 35.95 38.41 1b4c h PHE 88 CO -0.03 1.23 1.06 0.39 -0.60 0.00 0.00 178.31 180.36 1b4c n GLU 89 N -3.22 5.40 -0.74 1.51 -0.58 -1.23 -4.90 120.64 116.88 1b4c n GLU 89 Ca -0.19 -4.64 -0.33 0.00 -0.42 0.00 0.00 57.16 51.58 1b4c n GLU 89 Cb 1.04 -2.48 -0.06 0.00 -0.57 0.00 0.00 31.44 29.38 1b4c n GLU 89 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 1b4c n HIS 90 N 0.03 1.02 0.00 -0.32 -0.00 -0.83 -4.54 115.22 110.57 1b4c n HIS 90 Ca 0.46 -1.31 0.00 0.00 -0.00 0.00 0.00 57.72 56.87 1b4c n HIS 90 Cb 0.26 -1.29 0.00 0.00 -0.00 0.00 0.00 29.99 28.96 1b4c n HIS 90 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43