#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 4.95 0.39 6.12 1.04 -1.26 -4.78 113.70 120.16 1b4c s SER 1 Ca 0.00 1.29 0.14 0.00 0.48 0.00 0.00 55.95 57.86 1b4c s SER 1 Cb 0.00 -2.07 0.98 0.00 0.10 0.00 0.00 66.02 65.04 1b4c s SER 1 CO 0.00 -1.68 1.86 -0.08 0.98 0.00 0.00 173.24 174.33 1b4c h GLU 2 N -0.88 0.49 0.25 4.02 4.81 -2.06 -1.47 114.58 119.75 1b4c h GLU 2 Ca -0.46 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1b4c h GLU 2 Cb 1.25 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1b4c h GLU 2 CO 0.61 0.33 -0.12 1.25 -0.73 0.00 0.00 179.01 180.34 1b4c h LEU 3 N 0.51 -0.29 -0.45 1.64 5.85 -1.99 -2.04 115.31 118.53 1b4c h LEU 3 Ca 0.46 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 59.10 1b4c h LEU 3 Cb 0.99 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1b4c h LEU 3 CO -0.19 -0.01 0.11 -0.33 -0.34 0.00 0.00 178.44 177.68 1b4c h GLU 4 N -0.58 0.25 -0.82 1.25 5.08 -1.69 0.16 114.58 118.23 1b4c h GLU 4 Ca -0.03 -0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.47 1b4c h GLU 4 Cb 0.42 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.51 1b4c h GLU 4 CO 0.06 0.17 0.37 0.87 -1.00 0.00 0.00 179.01 179.47 1b4c h LYS 5 N 0.26 0.48 0.06 2.33 1.79 -1.19 -1.71 116.57 118.58 1b4c h LYS 5 Ca 0.22 -0.03 -0.25 0.00 -2.18 0.00 0.00 60.65 58.42 1b4c h LYS 5 Cb 0.27 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 30.82 1b4c h LYS 5 CO -0.27 0.31 -1.07 0.00 -1.08 0.00 0.00 179.45 177.35 1b4c h ALA 6 N 1.59 0.25 -0.09 3.86 0.00 -0.38 -2.27 119.26 122.21 1b4c h ALA 6 Ca 0.47 -0.77 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1b4c h ALA 6 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1b4c h ALA 6 CO -0.42 0.85 0.04 0.52 0.00 0.00 0.00 179.25 180.24 1b4c h MET 7 N 0.18 0.09 -0.46 0.00 2.86 0.12 0.78 114.93 118.51 1b4c h MET 7 Ca -0.11 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1b4c h MET 7 Cb 1.74 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.35 1b4c h MET 7 CO 0.18 0.06 0.18 0.28 1.06 0.00 0.00 176.91 178.68 1b4c h VAL 8 N 0.10 1.17 -0.14 -2.22 2.07 -1.47 -2.36 116.25 113.40 1b4c h VAL 8 Ca 0.04 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1b4c h VAL 8 Cb 0.01 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1b4c h VAL 8 CO -0.03 0.21 0.09 0.00 0.02 0.00 0.00 177.57 177.87 1b4c h ALA 9 N 1.55 0.18 -1.09 1.67 0.00 -0.58 -1.94 119.26 119.05 1b4c h ALA 9 Ca 0.16 -0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.39 1b4c h ALA 9 Cb 0.14 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 17.74 1b4c h ALA 9 CO -0.02 -0.33 0.66 -0.07 0.00 0.00 0.00 179.25 179.50 1b4c h LEU 10 N 0.19 0.44 -0.64 0.00 4.07 -0.34 2.02 115.31 121.04 1b4c h LEU 10 Ca 0.05 0.16 -0.11 0.00 0.08 0.00 0.00 57.88 58.06 1b4c h LEU 10 Cb -0.01 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 1b4c h LEU 10 CO -0.01 -0.11 -0.13 0.40 -1.08 0.00 0.00 178.44 177.51 1b4c h ILE 11 N 0.28 1.27 -0.27 1.22 5.03 -1.37 0.22 117.51 123.88 1b4c h ILE 11 Ca 0.73 -1.26 0.06 0.00 -0.12 0.00 0.00 64.86 64.27 1b4c h ILE 11 Cb 1.86 1.02 -0.08 0.00 -3.03 0.00 0.00 36.82 36.60 1b4c h ILE 11 CO -0.51 0.44 -0.33 -0.78 -0.68 0.00 0.00 178.15 176.29 1b4c h ASP 12 N 0.83 -1.06 0.35 1.72 3.58 0.35 0.49 116.42 122.68 1b4c h ASP 12 Ca 0.13 0.17 -0.23 0.00 0.42 0.00 0.00 57.03 57.51 1b4c h ASP 12 Cb 0.67 0.47 0.00 0.00 1.72 0.00 0.00 39.33 42.20 1b4c h ASP 12 CO 0.05 -0.34 -0.99 0.58 -2.88 0.00 0.00 179.24 175.66 1b4c h VAL 13 N -0.32 1.40 -0.41 2.25 2.07 -1.27 -0.91 116.25 119.07 1b4c h VAL 13 Ca 0.13 -2.51 -0.07 0.00 0.82 0.00 0.00 66.70 65.07 1b4c h VAL 13 Cb 0.54 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1b4c h VAL 13 CO -0.45 0.75 -0.03 0.15 0.02 0.00 0.00 177.57 178.00 1b4c h PHE 14 N 0.22 0.71 0.01 1.57 3.04 0.01 -2.57 116.94 119.93 1b4c h PHE 14 Ca -0.09 -0.10 -0.21 0.00 3.98 0.00 0.00 57.97 61.55 1b4c h PHE 14 Cb 1.64 -0.20 -0.03 0.00 2.56 0.00 0.00 35.95 39.92 1b4c h PHE 14 CO 0.06 0.69 -1.01 1.25 -2.02 0.00 0.00 178.31 177.28 1b4c h HIS 15 N 0.63 0.05 -0.59 0.41 2.76 -0.03 -3.14 115.15 115.25 1b4c h HIS 15 Ca 0.12 -0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.34 1b4c h HIS 15 Cb 0.44 -0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.34 1b4c h HIS 15 CO 0.02 1.02 0.24 0.37 -1.30 0.00 0.00 177.93 178.28 1b4c h GLN 16 N 0.01 0.43 -0.07 5.26 4.15 -0.74 -0.33 115.11 123.81 1b4c h GLN 16 Ca -0.02 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.32 1b4c h GLN 16 Cb 1.77 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.37 1b4c h GLN 16 CO 0.14 0.28 -0.17 1.88 -1.93 0.00 0.00 178.83 179.03 1b4c h TYR 17 N 0.44 0.31 -2.04 3.99 -1.99 -1.62 -3.30 116.97 112.76 1b4c h TYR 17 Ca 0.29 -0.12 -0.80 0.00 2.00 0.00 0.00 58.73 60.10 1b4c h TYR 17 Cb 0.31 -0.06 -0.24 0.00 2.00 0.00 0.00 36.73 38.75 1b4c h TYR 17 CO -0.15 0.78 1.32 -1.13 -0.00 0.00 0.00 178.16 178.98 1b4c n SER 18 N -4.58 7.46 -0.00 3.88 3.41 -0.93 -4.34 113.62 118.53 1b4c n SER 18 Ca -0.08 -3.56 0.00 0.00 -0.26 0.00 0.00 58.87 54.97 1b4c n SER 18 Cb 0.40 -1.22 -0.00 0.00 -0.26 0.00 0.00 64.21 63.13 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 0.38 0.61 0.23 5.00 0.00 -0.18 -3.85 105.19 107.38 1b4c n GLY 19 Ca 0.49 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.55 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 0.08 0.00 1.61 3.08 -1.84 -3.41 114.38 113.90 1b4c h ARG 20 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1b4c h ARG 20 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1b4c h ARG 20 CO 0.00 0.25 0.00 0.39 -1.07 0.00 0.00 179.97 179.54 1b4c n GLU 21 N -4.30 0.00 -0.87 0.04 1.02 -1.26 -4.98 120.64 110.29 1b4c n GLU 21 Ca -0.02 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.08 1b4c n GLU 21 Cb 0.26 -0.15 -0.02 0.00 -0.02 0.00 0.00 31.44 31.51 1b4c n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b4c n GLY 22 N 0.23 0.40 0.44 0.62 0.00 -1.25 -4.74 105.19 100.90 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 -1.59 -3.28 1.61 1.82 -1.93 -3.40 116.42 109.65 1b4c h ASP 23 Ca -0.09 0.20 -0.49 0.00 -0.39 0.00 0.00 57.03 56.27 1b4c h ASP 23 Cb 0.39 0.64 0.02 0.00 0.68 0.00 0.00 39.33 41.06 1b4c h ASP 23 CO 0.13 -0.45 -0.01 -0.54 -1.61 0.00 0.00 179.24 176.76 1b4c s LYS 24 N -5.78 3.53 -0.55 0.28 1.02 -1.26 -5.00 119.74 111.98 1b4c s LYS 24 Ca -0.15 0.00 0.02 0.00 0.02 0.00 0.00 55.97 55.87 1b4c s LYS 24 Cb 0.09 -2.49 0.41 0.00 -0.52 0.00 0.00 37.83 35.32 1b4c s LYS 24 CO 0.63 -0.06 1.51 0.72 -0.92 0.00 0.00 175.35 177.23 1b4c n HIS 25 N -2.03 3.14 -4.19 3.18 8.25 -1.26 -4.98 115.22 117.31 1b4c n HIS 25 Ca -0.01 -2.71 -0.17 0.00 -0.26 0.00 0.00 57.72 54.57 1b4c n HIS 25 Cb 0.55 -0.64 -0.12 0.00 1.12 0.00 0.00 29.99 30.90 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 -3.74 0.72 0.01 -0.41 1.02 -1.26 -4.58 119.74 111.50 1b4c s LYS 26 Ca 0.52 -0.75 0.08 0.00 0.02 0.00 0.00 55.97 55.84 1b4c s LYS 26 Cb 0.43 -0.65 -0.02 0.00 -0.52 0.00 0.00 37.83 37.06 1b4c s LYS 26 CO -0.18 0.15 -0.25 -1.17 -0.92 0.00 0.00 175.35 172.99 1b4c s LEU 27 N -1.33 2.10 0.26 3.17 2.96 0.36 -4.91 118.68 121.29 1b4c s LEU 27 Ca -0.03 -0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1b4c s LEU 27 Cb -0.08 -1.23 -0.05 0.00 0.50 0.00 0.00 46.19 45.33 1b4c s LEU 27 CO 0.01 0.27 0.50 -0.54 -1.32 0.00 0.00 176.35 175.27 1b4c s LYS 28 N -0.87 3.59 0.29 1.98 1.02 -1.26 0.13 119.74 124.61 1b4c s LYS 28 Ca 0.10 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 55.95 1b4c s LYS 28 Cb -0.09 -2.71 0.43 0.00 -0.52 0.00 0.00 37.83 34.94 1b4c s LYS 28 CO 0.00 0.27 1.93 1.57 -0.92 0.00 0.00 175.35 178.21 1b4c h LYS 29 N 1.75 1.11 -0.68 1.68 -0.00 -1.90 -0.59 116.57 117.94 1b4c h LYS 29 Ca -0.48 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.65 60.09 1b4c h LYS 29 Cb 1.19 -0.25 -0.03 0.00 -0.00 0.00 0.00 32.23 33.14 1b4c h LYS 29 CO 0.67 0.73 0.37 0.66 -0.00 0.00 0.00 179.45 181.88 1b4c h SER 30 N 1.14 0.85 0.41 7.07 4.64 -1.94 -0.34 113.55 125.38 1b4c h SER 30 Ca 0.36 -0.10 -0.19 0.00 -0.47 0.00 0.00 61.79 61.39 1b4c h SER 30 Cb 0.00 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1b4c h SER 30 CO -0.10 0.70 -0.78 -0.08 -0.87 0.00 0.00 176.83 175.69 1b4c h GLU 31 N 0.93 0.30 -0.60 4.77 4.81 -1.83 -3.13 114.58 119.82 1b4c h GLU 31 Ca 0.24 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1b4c h GLU 31 Cb 0.04 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1b4c h GLU 31 CO -0.04 0.94 0.20 1.25 -0.73 0.00 0.00 179.01 180.63 1b4c h LEU 32 N 0.19 0.86 0.29 1.64 5.85 -0.72 -2.23 115.31 121.19 1b4c h LEU 32 Ca -0.04 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1b4c h LEU 32 Cb 1.37 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1b4c h LEU 32 CO 0.13 0.83 -0.40 0.11 -0.34 0.00 0.00 178.44 178.77 1b4c h LYS 33 N 0.85 -0.71 -0.98 1.25 1.57 -1.01 0.44 116.57 117.97 1b4c h LYS 33 Ca 0.19 0.05 0.19 0.00 -1.87 0.00 0.00 60.65 59.22 1b4c h LYS 33 Cb 0.27 0.16 -0.09 0.00 0.08 0.00 0.00 32.23 32.65 1b4c h LYS 33 CO -0.01 -0.48 0.61 0.93 -0.57 0.00 0.00 179.45 179.94 1b4c h GLU 34 N -0.74 0.65 -0.48 3.15 5.08 -1.56 0.27 114.58 120.95 1b4c h GLU 34 Ca -0.01 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1b4c h GLU 34 Cb 0.70 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1b4c h GLU 34 CO -0.13 0.43 -0.12 1.25 -1.00 0.00 0.00 179.01 179.44 1b4c h LEU 35 N 0.67 0.89 -1.17 1.33 5.85 -0.39 -2.54 115.31 119.95 1b4c h LEU 35 Ca 0.55 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 1b4c h LEU 35 Cb 0.97 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 1b4c h LEU 35 CO -0.31 1.02 0.27 0.40 -0.34 0.00 0.00 178.44 179.48 1b4c h ILE 36 N 0.80 1.20 -0.16 4.05 2.04 0.33 -1.53 117.51 124.24 1b4c h ILE 36 Ca 0.13 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 1b4c h ILE 36 Cb 0.64 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 1b4c h ILE 36 CO 0.04 0.24 -0.09 0.78 0.00 0.00 0.00 178.15 179.12 1b4c h ASN 37 N 0.85 0.24 -0.27 1.72 4.21 -0.81 -1.44 115.58 120.06 1b4c h ASN 37 Ca 0.21 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.68 1b4c h ASN 37 Cb 0.11 -0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.25 1b4c h ASN 37 CO -0.03 0.36 0.00 -3.20 -1.29 0.00 0.00 177.43 173.28 1b4c n ASN 38 N -4.30 2.87 0.00 5.81 5.15 -0.97 -4.29 115.26 119.53 1b4c n ASN 38 Ca -0.01 -1.84 0.00 0.00 -0.60 0.00 0.00 54.58 52.13 1b4c n ASN 38 Cb 0.24 -0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 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 0.93 2.69 -0.84 1.20 -0.58 -0.62 -4.75 120.64 118.67 1b4c n GLU 39 Ca 0.13 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.84 1b4c n GLU 39 Cb 0.46 -0.92 0.19 0.00 -0.57 0.00 0.00 31.44 30.60 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 -1.61 3.77 0.17 -4.62 4.77 -0.56 -4.67 117.00 114.25 1b4c n LEU 40 Ca 0.00 -3.92 0.04 0.00 -0.03 0.00 0.00 56.01 52.09 1b4c n LEU 40 Cb 0.30 -0.59 0.25 0.00 -2.33 0.00 0.00 43.42 41.05 1b4c n LEU 40 CO 0.00 1.39 0.60 0.28 -1.33 0.00 0.00 177.39 178.33 1b4c h SER 41 N 1.11 0.00 0.03 -1.43 0.02 -1.75 -2.58 113.55 108.95 1b4c h SER 41 Ca 0.17 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1b4c h SER 41 Cb 1.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.94 1b4c h SER 41 CO 0.31 0.46 -0.01 -0.74 -1.14 0.00 0.00 176.83 175.70 1b4c h HIS 42 N 0.00 -0.03 0.00 3.45 -0.00 -1.94 -3.20 115.15 113.43 1b4c h HIS 42 Ca -0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 1b4c h HIS 42 Cb 1.04 0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 28.45 1b4c h HIS 42 CO 0.00 0.60 -0.18 0.74 -0.00 0.00 0.00 177.93 179.08 1b4c h PHE 43 N -0.71 0.00 -0.18 5.26 0.04 -1.91 -2.32 116.94 117.12 1b4c h PHE 43 Ca -0.00 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.82 1b4c h PHE 43 Cb 0.64 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 1b4c h PHE 43 CO 0.15 0.18 0.33 1.25 -0.60 0.00 0.00 178.31 179.62 1b4c h LEU 44 N 0.00 0.00 0.13 1.54 7.12 -1.45 0.16 115.31 122.81 1b4c h LEU 44 Ca -0.00 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.74 1b4c h LEU 44 Cb 0.41 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 40.57 1b4c h LEU 44 CO 0.02 0.00 -1.13 -0.33 -0.13 0.00 0.00 178.44 176.87 1b4c h GLU 45 N 0.00 0.53 -2.77 1.25 4.39 -1.54 -3.33 114.58 113.10 1b4c h GLU 45 Ca 0.09 -0.75 -0.73 0.00 0.34 0.00 0.00 59.36 58.31 1b4c h GLU 45 Cb 0.74 0.25 -0.09 0.00 -0.10 0.00 0.00 28.75 29.56 1b4c h GLU 45 CO -0.00 1.34 2.72 0.39 -1.16 0.00 0.00 179.01 182.30 1b4c n GLU 46 N -3.89 4.32 -4.03 2.33 1.02 0.04 -4.84 120.64 115.59 1b4c n GLU 46 Ca -0.14 -3.18 -0.31 0.00 -0.02 0.00 0.00 57.16 53.51 1b4c n GLU 46 Cb 0.94 -2.70 -0.15 0.00 -0.02 0.00 0.00 31.44 29.51 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 -0.28 2.27 -0.06 -3.67 -1.09 -1.25 -4.61 121.20 112.52 1b4c s ILE 47 Ca 0.57 -2.23 -0.15 0.00 -2.23 0.00 0.00 60.65 56.60 1b4c s ILE 47 Cb 0.18 -2.63 -0.30 0.00 -1.58 0.00 0.00 42.46 38.13 1b4c s ILE 47 CO -0.08 -0.51 0.69 0.11 -1.23 0.00 0.00 174.94 173.92 1b4c h LYS 48 N 7.64 0.34 -5.67 2.79 1.57 -1.88 -3.42 116.57 117.93 1b4c h LYS 48 Ca -0.06 -0.59 -0.63 0.00 -1.87 0.00 0.00 60.65 57.50 1b4c h LYS 48 Cb 1.02 0.22 -0.13 0.00 0.08 0.00 0.00 32.23 33.42 1b4c h LYS 48 CO 0.51 1.28 0.43 -1.21 -0.57 0.00 0.00 179.45 179.89 1b4c s GLU 49 N -2.52 3.30 0.26 3.15 2.02 -1.26 -4.88 118.70 118.78 1b4c s GLU 49 Ca -0.16 -0.36 0.20 0.00 0.02 0.00 0.00 54.97 54.67 1b4c s GLU 49 Cb 0.04 -4.04 0.09 0.00 0.10 0.00 0.00 34.13 30.32 1b4c s GLU 49 CO 0.83 -1.37 1.25 0.37 0.02 0.00 0.00 175.26 176.36 1b4c h GLN 50 N 9.19 0.00 0.00 1.61 4.15 -1.94 -3.32 115.11 124.80 1b4c h GLN 50 Ca -0.26 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.11 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 1.04 0.15 -0.22 0.93 -1.93 0.00 0.00 178.83 178.80 1b4c h GLU 51 N 0.00 0.00 -0.00 1.69 4.39 -1.99 -2.05 114.58 116.62 1b4c h GLU 51 Ca -0.03 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 1b4c h GLU 51 Cb 1.18 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.84 1b4c h GLU 51 CO 0.02 0.22 -0.41 -0.39 -1.16 0.00 0.00 179.01 177.29 1b4c h VAL 52 N 0.00 1.49 -0.32 3.13 -1.51 -1.95 -2.88 116.25 114.21 1b4c h VAL 52 Ca -0.00 -2.01 -0.06 0.00 -1.23 0.00 0.00 66.70 63.39 1b4c h VAL 52 Cb 0.83 2.70 -0.02 0.00 -2.13 0.00 0.00 31.29 32.67 1b4c h VAL 52 CO 0.03 0.57 -0.07 0.58 -1.23 0.00 0.00 177.57 177.44 1b4c h VAL 53 N -0.33 1.22 -0.60 7.19 2.07 -1.69 -2.55 116.25 121.56 1b4c h VAL 53 Ca -0.05 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.57 1b4c h VAL 53 Cb 1.15 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1b4c h VAL 53 CO 0.08 0.31 0.35 0.44 0.02 0.00 0.00 177.57 178.77 1b4c h ASP 54 N 0.49 0.55 0.64 0.57 3.32 -1.36 -1.21 116.42 119.42 1b4c h ASP 54 Ca 0.10 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 1b4c h ASP 54 Cb 0.43 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1b4c h ASP 54 CO 0.02 0.38 -0.30 0.11 -1.72 0.00 0.00 179.24 177.73 1b4c h LYS 55 N 0.68 0.00 0.52 3.56 1.57 -1.24 -2.90 116.57 118.76 1b4c h LYS 55 Ca 0.25 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.00 1b4c h LYS 55 Cb 0.07 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1b4c h LYS 55 CO -0.13 0.30 -0.25 0.28 -0.57 0.00 0.00 179.45 179.08 1b4c h VAL 56 N 0.00 0.35 -0.43 0.50 2.07 -0.88 0.40 116.25 118.25 1b4c h VAL 56 Ca -0.00 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 67.24 1b4c h VAL 56 Cb 0.70 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1b4c h VAL 56 CO 0.04 0.05 0.46 0.24 0.02 0.00 0.00 177.57 178.38 1b4c h MET 57 N -0.99 0.00 0.07 1.57 2.86 -1.35 0.39 114.93 117.48 1b4c h MET 57 Ca -0.07 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.27 1b4c h MET 57 Cb 0.62 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 1b4c h MET 57 CO 0.12 0.00 -1.56 1.49 1.06 0.00 0.00 176.91 178.02 1b4c h GLU 58 N 0.00 0.14 -0.12 1.72 4.57 -1.25 -2.69 114.58 116.96 1b4c h GLU 58 Ca 0.20 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 1b4c h GLU 58 Cb 1.13 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1b4c h GLU 58 CO -0.00 0.92 -0.05 1.15 -1.18 0.00 0.00 179.01 179.85 1b4c h THR 59 N 0.04 1.31 0.67 0.32 2.02 0.38 -0.56 112.91 117.09 1b4c h THR 59 Ca -0.24 -1.06 -0.03 0.00 0.77 0.00 0.00 66.41 65.85 1b4c h THR 59 Cb 1.98 1.76 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 1b4c h THR 59 CO 0.12 0.30 -0.36 -0.07 0.37 0.00 0.00 175.52 175.89 1b4c h LEU 60 N -0.10 -0.87 -1.72 2.58 3.38 -0.97 0.43 115.31 118.04 1b4c h LEU 60 Ca 0.03 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.08 1b4c h LEU 60 Cb 0.50 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1b4c h LEU 60 CO 0.02 -0.58 0.48 0.44 0.09 0.00 0.00 178.44 178.88 1b4c h ASP 61 N -0.95 0.00 -1.13 -0.43 5.19 -1.46 0.34 116.42 117.98 1b4c h ASP 61 Ca -0.09 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.65 1b4c h ASP 61 Cb 0.75 0.00 -0.31 0.00 0.18 0.00 0.00 39.33 39.95 1b4c h ASP 61 CO 0.12 0.00 0.66 -0.62 -3.12 0.00 0.00 179.24 176.28 1b4c n GLU 62 N -3.06 2.83 -0.41 3.56 -0.58 0.13 -4.71 120.64 118.39 1b4c n GLU 62 Ca 0.02 -3.46 0.33 0.00 -0.42 0.00 0.00 57.16 53.62 1b4c n GLU 62 Cb 0.56 -2.28 0.61 0.00 -0.57 0.00 0.00 31.44 29.76 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 2.19 0.30 0.00 1.62 3.58 -0.15 -3.43 116.42 120.53 1b4c h ASP 63 Ca 0.57 0.12 0.00 0.00 0.42 0.00 0.00 57.03 58.14 1b4c h ASP 63 Cb 0.78 0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.93 1b4c h ASP 63 CO 1.45 -0.11 0.00 0.61 -2.88 0.00 0.00 179.24 178.31 1b4c n GLY 64 N -1.50 0.00 0.07 -0.78 0.00 -1.26 -4.45 105.19 97.27 1b4c n GLY 64 Ca 0.34 0.00 -0.07 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 1.86 0.00 1.61 5.68 -1.26 -5.02 116.55 119.42 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 0.66 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 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 2.25 2.86 3.21 6.12 0.00 -1.26 -5.01 105.19 113.36 1b4c n GLY 66 Ca -0.23 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.37 0.34 -0.20 1.61 2.02 -1.26 -4.88 118.70 115.95 1b4c s GLU 67 Ca 0.00 0.72 -0.07 0.00 0.02 0.00 0.00 54.97 55.64 1b4c s GLU 67 Cb 0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.15 1b4c s GLU 67 CO 0.00 -0.16 0.06 0.00 0.02 0.00 0.00 175.26 175.17 1b4c n ASP 69 N 3.97 0.15 0.16 0.00 2.03 -1.26 0.14 116.55 121.73 1b4c n ASP 69 Ca -0.16 -1.23 0.03 0.00 0.52 0.00 0.00 54.79 53.94 1b4c n ASP 69 Cb 0.52 -0.33 0.21 0.00 -0.72 0.00 0.00 41.12 40.80 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 -1.06 0.00 -0.49 -0.67 3.04 -1.95 -2.91 116.94 112.89 1b4c h PHE 70 Ca -0.14 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.75 1b4c h PHE 70 Cb 0.43 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 1b4c h PHE 70 CO 0.00 0.50 0.07 1.96 -2.02 0.00 0.00 178.31 178.83 1b4c h GLN 71 N 0.00 0.83 0.00 1.11 4.20 -1.98 -0.12 115.11 119.15 1b4c h GLN 71 Ca -0.01 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.44 1b4c h GLN 71 Cb 1.11 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1b4c h GLN 71 CO 0.07 0.83 -0.20 0.93 -0.67 0.00 0.00 178.83 179.79 1b4c h GLU 72 N 0.70 0.00 0.03 1.46 5.08 -1.90 -1.87 114.58 118.08 1b4c h GLU 72 Ca 0.15 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.23 1b4c h GLU 72 Cb 0.41 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.68 1b4c h GLU 72 CO 0.01 0.20 -1.09 0.35 -1.00 0.00 0.00 179.01 177.48 1b4c h PHE 73 N 0.00 1.03 0.00 4.33 3.57 -1.17 -1.17 116.94 123.53 1b4c h PHE 73 Ca -0.00 -0.58 -0.08 0.00 3.53 0.00 0.00 57.97 60.84 1b4c h PHE 73 Cb 0.55 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1b4c h PHE 73 CO 0.00 1.42 -0.39 1.98 -2.23 0.00 0.00 178.31 179.09 1b4c h MET 74 N 0.36 0.00 0.06 1.11 4.05 -0.63 -0.47 114.93 119.41 1b4c h MET 74 Ca -0.14 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.16 1b4c h MET 74 Cb 1.75 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.56 1b4c h MET 74 CO 0.21 0.39 -0.51 0.00 0.23 0.00 0.00 176.91 177.23 1b4c h ALA 75 N 1.61 -0.01 -0.15 0.39 0.00 -1.29 -3.02 119.26 116.78 1b4c h ALA 75 Ca -0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 1b4c h ALA 75 Cb 0.79 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1b4c h ALA 75 CO 0.05 0.24 -0.26 0.74 0.00 0.00 0.00 179.25 180.03 1b4c h PHE 76 N -0.44 0.31 -0.43 0.00 0.04 -1.15 -2.21 116.94 113.05 1b4c h PHE 76 Ca -0.08 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.60 1b4c h PHE 76 Cb 1.33 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 39.38 1b4c h PHE 76 CO 0.20 0.52 0.12 0.28 -0.60 0.00 0.00 178.31 178.83 1b4c h VAL 77 N 0.25 1.18 0.10 -0.55 2.07 -1.13 -2.60 116.25 115.57 1b4c h VAL 77 Ca 0.04 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 1b4c h VAL 77 Cb 0.60 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1b4c h VAL 77 CO 0.04 0.23 -0.05 -1.28 0.02 0.00 0.00 177.57 176.54 1b4c h SER 78 N 0.62 -0.12 -1.01 0.57 0.87 -1.27 -2.10 113.55 111.11 1b4c h SER 78 Ca 0.14 -0.38 0.23 0.00 -1.23 0.00 0.00 61.79 60.55 1b4c h SER 78 Cb 0.20 0.03 -0.11 0.00 -0.44 0.00 0.00 62.40 62.09 1b4c h SER 78 CO -0.01 0.35 0.62 0.24 -0.53 0.00 0.00 176.83 177.51 1b4c h MET 79 N -0.62 0.57 -0.06 2.24 2.07 -1.28 1.71 114.93 119.55 1b4c h MET 79 Ca -0.01 -0.03 -0.11 0.00 -2.07 0.00 0.00 59.70 57.47 1b4c h MET 79 Cb 0.49 -0.13 0.01 0.00 -1.87 0.00 0.00 31.60 30.10 1b4c h MET 79 CO 0.02 0.37 -0.39 0.28 1.07 0.00 0.00 176.91 178.27 1b4c h VAL 80 N 0.58 1.42 -0.34 -2.22 2.07 -1.43 0.37 116.25 116.71 1b4c h VAL 80 Ca 0.60 -1.81 -0.13 0.00 0.82 0.00 0.00 66.70 66.18 1b4c h VAL 80 Cb 1.19 2.36 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 1b4c h VAL 80 CO -0.38 0.52 -0.31 0.74 0.02 0.00 0.00 177.57 178.17 1b4c h THR 81 N -0.11 1.29 0.00 2.57 2.02 -0.43 -2.89 112.91 115.35 1b4c h THR 81 Ca -0.03 -1.47 -0.04 0.00 0.77 0.00 0.00 66.41 65.64 1b4c h THR 81 Cb 1.05 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 1b4c h THR 81 CO 0.08 0.48 -0.19 0.71 0.37 0.00 0.00 175.52 176.97 1b4c h THR 82 N 0.58 0.41 -0.08 3.16 1.35 0.25 -2.93 112.91 115.65 1b4c h THR 82 Ca 0.06 -1.17 0.02 0.00 -0.55 0.00 0.00 66.41 64.77 1b4c h THR 82 Cb 0.88 1.87 -0.00 0.00 -1.73 0.00 0.00 68.15 69.17 1b4c h THR 82 CO 0.08 0.19 0.13 0.00 -0.25 0.00 0.00 175.52 175.66 1b4c h ALA 83 N 1.81 1.53 -2.78 6.62 0.00 -0.03 -3.41 119.26 122.99 1b4c h ALA 83 Ca -0.00 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.39 1b4c h ALA 83 Cb 0.85 0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.67 1b4c h ALA 83 CO 0.02 -0.17 0.53 0.00 0.00 0.00 0.00 179.25 179.64 1b4c n HIS 85 N 1.46 0.44 -2.86 0.00 1.44 -1.26 -3.58 115.22 110.85 1b4c n HIS 85 Ca 0.01 0.02 -0.03 0.00 -2.01 0.00 0.00 57.72 55.71 1b4c n HIS 85 Cb 0.44 -1.35 -0.02 0.00 0.12 0.00 0.00 29.99 29.18 1b4c n HIS 85 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 1b4c n GLU 86 N 6.83 -2.81 0.27 -1.40 1.02 -1.26 -4.53 120.64 118.75 1b4c n GLU 86 Ca 0.60 2.27 0.17 0.00 -0.02 0.00 0.00 57.16 60.19 1b4c n GLU 86 Cb 0.23 -2.91 0.93 0.00 -0.02 0.00 0.00 31.44 29.67 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 4.50 0.00 -0.97 -0.32 -0.00 -1.81 -0.86 116.94 117.47 1b4c h PHE 87 Ca -0.25 0.00 0.16 0.00 -0.00 0.00 0.00 57.97 57.88 1b4c h PHE 87 Cb 0.63 0.00 -0.10 0.00 -0.00 0.00 0.00 35.95 36.48 1b4c h PHE 87 CO 0.00 0.00 0.58 0.74 -0.00 0.00 0.00 178.31 179.63 1b4c h PHE 88 N 0.00 1.03 -0.18 6.09 0.04 -1.93 -2.53 116.94 119.46 1b4c h PHE 88 Ca 0.04 0.03 -0.69 0.00 2.80 0.00 0.00 57.97 60.15 1b4c h PHE 88 Cb 0.27 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1b4c h PHE 88 CO 0.00 0.28 3.44 0.39 -0.60 0.00 0.00 178.31 181.82 1b4c n GLU 89 N -4.75 3.56 -1.06 1.51 1.02 -0.33 -4.84 120.64 115.75 1b4c n GLU 89 Ca 0.21 -2.50 -0.42 0.00 -0.02 0.00 0.00 57.16 54.44 1b4c n GLU 89 Cb 0.49 -2.92 -0.08 0.00 -0.02 0.00 0.00 31.44 28.91 1b4c n GLU 89 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1b4c n HIS 90 N 4.09 1.41 1.79 -0.32 -0.00 -0.96 -5.01 115.22 116.22 1b4c n HIS 90 Ca 0.68 -1.38 0.14 0.00 0.46 0.00 0.00 57.72 57.63 1b4c n HIS 90 Cb 0.28 -1.55 0.85 0.00 -0.12 0.00 0.00 29.99 29.45 1b4c n HIS 90 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19