#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 4.87 0.40 7.83 1.04 -1.26 -4.95 113.70 121.63 1b4c s SER 1 Ca 0.00 0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.84 1b4c s SER 1 Cb 0.00 -1.02 0.84 0.00 0.10 0.00 0.00 66.02 65.93 1b4c s SER 1 CO 0.00 -1.53 2.04 -0.08 0.98 0.00 0.00 173.24 174.65 1b4c h GLU 2 N -0.48 0.54 -0.21 4.02 4.81 -2.07 -2.33 114.58 118.85 1b4c h GLU 2 Ca -0.44 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1b4c h GLU 2 Cb 1.31 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1b4c h GLU 2 CO 0.58 0.37 0.13 1.25 -0.73 0.00 0.00 179.01 180.61 1b4c h LEU 3 N 0.55 0.22 -0.81 1.64 6.46 -2.00 -2.18 115.31 119.19 1b4c h LEU 3 Ca 0.15 -0.00 0.17 0.00 -0.12 0.00 0.00 57.88 58.08 1b4c h LEU 3 Cb -0.03 -0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 39.74 1b4c h LEU 3 CO -0.03 0.16 0.31 -0.33 -0.62 0.00 0.00 178.44 177.94 1b4c h GLU 4 N 0.27 0.40 -0.88 1.25 5.08 -1.79 0.29 114.58 119.20 1b4c h GLU 4 Ca 0.08 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.60 1b4c h GLU 4 Cb -0.02 -0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.04 1b4c h GLU 4 CO -0.03 0.26 0.44 -0.22 -1.00 0.00 0.00 179.01 178.46 1b4c h LYS 5 N 0.41 0.54 0.00 2.33 3.64 -1.34 0.08 116.57 122.22 1b4c h LYS 5 Ca 0.47 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.65 1b4c h LYS 5 Cb 0.78 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 1b4c h LYS 5 CO -0.47 0.36 -0.78 0.00 -2.27 0.00 0.00 179.45 176.29 1b4c h ALA 6 N 1.62 0.67 -0.19 5.00 0.00 -0.39 -2.01 119.26 123.97 1b4c h ALA 6 Ca 0.51 -0.71 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1b4c h ALA 6 Cb 0.84 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1b4c h ALA 6 CO -0.43 0.97 0.01 0.52 0.00 0.00 0.00 179.25 180.33 1b4c h MET 7 N 0.00 0.32 -0.34 0.00 2.86 0.22 -1.77 114.93 116.23 1b4c h MET 7 Ca -0.01 -0.10 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 1b4c h MET 7 Cb 1.41 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 33.03 1b4c h MET 7 CO 0.10 0.51 -0.30 0.28 1.06 0.00 0.00 176.91 178.57 1b4c h VAL 8 N 0.09 1.28 -0.31 -2.22 2.07 -1.40 -3.00 116.25 112.76 1b4c h VAL 8 Ca 0.06 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.18 1b4c h VAL 8 Cb 0.36 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1b4c h VAL 8 CO 0.01 0.47 0.11 0.00 0.02 0.00 0.00 177.57 178.17 1b4c h ALA 9 N 1.05 0.35 -0.68 1.67 0.00 -1.17 -1.01 119.26 119.48 1b4c h ALA 9 Ca 0.07 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1b4c h ALA 9 Cb 0.81 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 1b4c h ALA 9 CO 0.07 -0.29 -0.04 -0.07 0.00 0.00 0.00 179.25 178.91 1b4c h LEU 10 N 0.24 -0.39 -0.64 0.00 3.38 -1.18 0.51 115.31 117.23 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 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1b4c h LEU 10 CO -0.15 -0.16 0.42 0.40 0.09 0.00 0.00 178.44 179.04 1b4c h ILE 11 N 0.08 1.17 -0.45 1.22 1.08 -1.33 0.65 117.51 119.93 1b4c h ILE 11 Ca 0.35 -0.33 0.09 0.00 -0.39 0.00 0.00 64.86 64.59 1b4c h ILE 11 Cb 0.58 0.24 -0.09 0.00 -3.07 0.00 0.00 36.82 34.48 1b4c h ILE 11 CO -0.61 0.17 -0.16 -0.78 -0.69 0.00 0.00 178.15 176.07 1b4c h ASP 12 N 0.87 -0.56 -0.01 1.72 1.82 0.12 -0.37 116.42 120.01 1b4c h ASP 12 Ca 0.23 0.15 -0.10 0.00 -0.39 0.00 0.00 57.03 56.93 1b4c h ASP 12 Cb -0.08 0.33 0.01 0.00 0.68 0.00 0.00 39.33 40.27 1b4c h ASP 12 CO -0.05 -0.19 -0.38 0.58 -1.61 0.00 0.00 179.24 177.59 1b4c h VAL 13 N -0.06 1.49 -0.77 2.25 2.07 -0.74 -1.76 116.25 118.74 1b4c h VAL 13 Ca 0.22 -1.97 0.13 0.00 0.82 0.00 0.00 66.70 65.90 1b4c h VAL 13 Cb 0.39 2.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 1b4c h VAL 13 CO -0.50 0.55 0.51 0.15 0.02 0.00 0.00 177.57 178.30 1b4c h PHE 14 N -0.33 0.61 0.02 1.57 3.04 -0.63 0.26 116.94 121.48 1b4c h PHE 14 Ca -0.04 0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.72 1b4c h PHE 14 Cb 1.11 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.41 1b4c h PHE 14 CO 0.16 0.25 -0.94 1.25 -2.02 0.00 0.00 178.31 177.02 1b4c h HIS 15 N 0.54 0.17 -0.68 0.41 2.76 -1.07 -3.15 115.15 114.13 1b4c h HIS 15 Ca 0.37 -0.10 0.09 0.00 -2.20 0.00 0.00 60.37 58.52 1b4c h HIS 15 Cb 0.69 -0.01 -0.07 0.00 1.55 0.00 0.00 27.41 29.57 1b4c h HIS 15 CO -0.00 0.98 0.33 0.37 -1.30 0.00 0.00 177.93 178.31 1b4c h GLN 16 N 0.05 0.56 -0.14 5.26 4.15 -0.00 -1.05 115.11 123.94 1b4c h GLN 16 Ca -0.04 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 1b4c h GLN 16 Cb 1.62 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.18 1b4c h GLN 16 CO 0.13 0.37 -0.26 1.88 -1.93 0.00 0.00 178.83 179.03 1b4c h TYR 17 N 0.58 0.52 -2.31 3.99 -1.99 -1.58 -3.30 116.97 112.88 1b4c h TYR 17 Ca 0.33 -0.18 -0.81 0.00 2.00 0.00 0.00 58.73 60.06 1b4c h TYR 17 Cb 0.33 -0.10 -0.27 0.00 2.00 0.00 0.00 36.73 38.69 1b4c h TYR 17 CO -0.11 0.88 1.02 0.43 -0.00 0.00 0.00 178.16 180.38 1b4c n SER 18 N -4.44 7.29 -0.00 3.88 7.64 -0.85 -4.39 113.62 122.75 1b4c n SER 18 Ca -0.07 -3.66 0.00 0.00 1.01 0.00 0.00 58.87 56.15 1b4c n SER 18 Cb 0.45 -1.18 -0.01 0.00 -1.01 0.00 0.00 64.21 62.46 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 0.07 0.54 0.24 0.23 0.00 -0.46 -3.86 105.19 101.96 1b4c n GLY 19 Ca 0.45 -0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.48 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 0.20 0.00 1.61 2.47 -1.84 -3.41 114.38 113.41 1b4c h ARG 20 Ca 0.00 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 1b4c h ARG 20 Cb 0.03 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1b4c h ARG 20 CO 0.00 0.31 0.00 0.39 0.56 0.00 0.00 179.97 181.23 1b4c n GLU 21 N -4.32 0.00 -0.79 0.04 -0.58 -1.26 -4.98 120.64 108.75 1b4c n GLU 21 Ca -0.01 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.69 1b4c n GLU 21 Cb 0.23 -0.19 -0.02 0.00 -0.57 0.00 0.00 31.44 30.90 1b4c n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b4c n GLY 22 N 0.74 0.35 0.40 0.62 0.00 -1.25 -4.74 105.19 101.31 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 -1.53 -2.47 1.61 1.82 -1.93 -3.41 116.42 110.51 1b4c h ASP 23 Ca -0.08 0.19 -0.46 0.00 -0.39 0.00 0.00 57.03 56.29 1b4c h ASP 23 Cb 0.41 0.61 0.10 0.00 0.68 0.00 0.00 39.33 41.12 1b4c h ASP 23 CO 0.11 -0.39 0.16 -0.54 -1.61 0.00 0.00 179.24 176.97 1b4c s LYS 24 N -5.30 1.48 -0.37 0.28 1.02 -1.26 -5.02 119.74 110.56 1b4c s LYS 24 Ca -0.13 -1.00 0.09 0.00 0.02 0.00 0.00 55.97 54.95 1b4c s LYS 24 Cb 0.06 -2.24 0.44 0.00 -0.52 0.00 0.00 37.83 35.58 1b4c s LYS 24 CO 0.52 -1.63 1.11 -2.39 -0.92 0.00 0.00 175.35 172.04 1b4c n HIS 25 N -3.01 2.72 -4.24 3.18 1.44 -1.26 -5.04 115.22 109.01 1b4c n HIS 25 Ca 0.15 -2.75 -0.19 0.00 -2.01 0.00 0.00 57.72 52.92 1b4c n HIS 25 Cb 0.60 -0.21 -0.12 0.00 0.12 0.00 0.00 29.99 30.38 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 -3.51 0.87 -0.00 -1.40 -2.85 -1.26 -4.49 119.74 107.10 1b4c s LYS 26 Ca 0.44 -0.90 0.06 0.00 -1.00 0.00 0.00 55.97 54.57 1b4c s LYS 26 Cb 0.41 -0.89 -0.02 0.00 -2.06 0.00 0.00 37.83 35.26 1b4c s LYS 26 CO -0.08 0.21 -0.20 -1.17 0.10 0.00 0.00 175.35 174.20 1b4c s LEU 27 N -1.55 2.06 0.18 2.77 2.96 0.55 -4.94 118.68 120.72 1b4c s LEU 27 Ca -0.00 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.45 1b4c s LEU 27 Cb -0.09 -1.03 -0.06 0.00 0.50 0.00 0.00 46.19 45.51 1b4c s LEU 27 CO 0.02 0.23 0.43 -0.54 -1.32 0.00 0.00 176.35 175.17 1b4c s LYS 28 N -0.61 3.65 0.26 1.98 1.02 -1.26 0.10 119.74 124.88 1b4c s LYS 28 Ca 0.08 -0.02 -0.04 0.00 0.02 0.00 0.00 55.97 56.01 1b4c s LYS 28 Cb -0.08 -2.79 0.33 0.00 -0.52 0.00 0.00 37.83 34.78 1b4c s LYS 28 CO -0.00 0.41 1.90 1.57 -0.92 0.00 0.00 175.35 178.31 1b4c h LYS 29 N 2.63 1.23 -0.80 1.68 5.09 -1.91 0.37 116.57 124.86 1b4c h LYS 29 Ca -0.46 -0.07 0.04 0.00 0.09 0.00 0.00 60.65 60.24 1b4c h LYS 29 Cb 1.17 -0.28 -0.05 0.00 0.10 0.00 0.00 32.23 33.17 1b4c h LYS 29 CO 0.71 0.81 0.50 1.03 -2.09 0.00 0.00 179.45 180.42 1b4c h SER 30 N 1.27 0.82 0.69 7.07 0.87 -1.94 0.43 113.55 122.77 1b4c h SER 30 Ca 0.40 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.70 1b4c h SER 30 Cb 0.01 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1b4c h SER 30 CO -0.13 0.56 -1.25 -0.33 -0.53 0.00 0.00 176.83 175.16 1b4c h GLU 31 N 0.97 0.18 -0.35 2.24 3.07 -1.82 -3.23 114.58 115.65 1b4c h GLU 31 Ca 0.32 -0.32 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1b4c h GLU 31 Cb 0.04 0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.05 1b4c h GLU 31 CO -0.12 1.11 0.18 1.25 -1.40 0.00 0.00 179.01 180.03 1b4c h LEU 32 N 0.05 0.45 0.01 1.33 6.46 0.33 -2.66 115.31 121.28 1b4c h LEU 32 Ca -0.13 -0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.55 1b4c h LEU 32 Cb 1.93 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 41.69 1b4c h LEU 32 CO 0.17 0.44 -0.37 0.50 -0.62 0.00 0.00 178.44 178.55 1b4c h LYS 33 N 0.43 -0.52 -1.13 1.25 3.64 -0.21 0.18 116.57 120.21 1b4c h LYS 33 Ca 0.12 0.04 0.31 0.00 -1.27 0.00 0.00 60.65 59.85 1b4c h LYS 33 Cb 0.10 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 1b4c h LYS 33 CO -0.02 -0.34 0.74 1.49 -2.27 0.00 0.00 179.45 179.05 1b4c h GLU 34 N -0.54 0.25 -0.43 1.90 4.81 -1.53 0.50 114.58 119.55 1b4c h GLU 34 Ca 0.05 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 1b4c h GLU 34 Cb 0.62 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 1b4c h GLU 34 CO -0.29 0.16 -0.21 1.25 -0.73 0.00 0.00 179.01 179.20 1b4c h LEU 35 N 0.26 0.93 -0.66 1.64 5.85 -0.34 -2.95 115.31 120.03 1b4c h LEU 35 Ca 0.63 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 59.01 1b4c h LEU 35 Cb 1.86 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 42.58 1b4c h LEU 35 CO -0.25 1.13 0.36 0.40 -0.34 0.00 0.00 178.44 179.73 1b4c h ILE 36 N 0.73 0.95 0.14 4.05 2.04 0.93 0.45 117.51 126.80 1b4c h ILE 36 Ca 0.10 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1b4c h ILE 36 Cb 0.78 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 1b4c h ILE 36 CO 0.06 0.12 -0.12 0.78 0.00 0.00 0.00 178.15 178.99 1b4c h ASN 37 N 0.66 -0.31 -0.07 1.72 4.21 -1.28 -0.76 115.58 119.75 1b4c h ASN 37 Ca 0.30 0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.84 1b4c h ASN 37 Cb 0.21 0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.51 1b4c h ASN 37 CO -0.19 -0.19 0.00 0.59 -1.29 0.00 0.00 177.43 176.35 1b4c n ASN 38 N -5.24 1.28 -0.07 5.81 3.02 -1.07 -2.87 115.26 116.12 1b4c n ASN 38 Ca -0.08 -1.52 -0.07 0.00 -0.03 0.00 0.00 54.58 52.88 1b4c n ASN 38 Cb 0.16 -0.04 -0.11 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.03 1.63 -0.46 3.52 2.13 0.16 -4.59 120.64 123.05 1b4c n GLU 39 Ca 0.18 -0.01 0.07 0.00 0.66 0.00 0.00 57.16 58.06 1b4c n GLU 39 Cb 0.30 -1.37 0.15 0.00 0.27 0.00 0.00 31.44 30.79 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 -2.54 2.25 0.29 4.31 4.77 -0.32 -4.83 117.00 120.92 1b4c n LEU 40 Ca -0.24 -3.24 -0.18 0.00 -0.03 0.00 0.00 56.01 52.33 1b4c n LEU 40 Cb 0.97 -0.41 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 1b4c n LEU 40 CO 0.31 0.99 0.56 -1.28 -1.33 0.00 0.00 177.39 176.63 1b4c h SER 41 N 0.54 -1.26 -0.54 -1.43 0.87 -1.68 0.34 113.55 110.38 1b4c h SER 41 Ca -0.02 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 1b4c h SER 41 Cb 1.10 0.41 -0.02 0.00 -0.44 0.00 0.00 62.40 63.45 1b4c h SER 41 CO 0.01 -0.63 0.26 0.45 -0.53 0.00 0.00 176.83 176.38 1b4c h HIS 42 N -0.96 0.79 -0.08 2.24 3.86 -1.89 -1.77 115.15 117.35 1b4c h HIS 42 Ca -0.06 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.14 1b4c h HIS 42 Cb 0.83 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.06 1b4c h HIS 42 CO -0.23 0.62 0.06 0.35 0.86 0.00 0.00 177.93 179.59 1b4c h PHE 43 N 0.73 0.00 -0.69 2.45 3.57 -1.82 -2.54 116.94 118.64 1b4c h PHE 43 Ca 0.19 0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.83 1b4c h PHE 43 Cb 0.13 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 38.75 1b4c h PHE 43 CO -0.00 0.00 -0.03 1.25 -2.23 0.00 0.00 178.31 177.30 1b4c h LEU 44 N 0.00 -0.37 -1.31 0.59 6.46 0.60 0.34 115.31 121.63 1b4c h LEU 44 Ca 0.04 0.18 0.16 0.00 -0.12 0.00 0.00 57.88 58.14 1b4c h LEU 44 Cb 0.15 0.33 -0.07 0.00 -0.73 0.00 0.00 40.66 40.34 1b4c h LEU 44 CO -0.00 -0.16 0.58 -0.08 -0.62 0.00 0.00 178.44 178.16 1b4c h GLU 45 N 0.09 0.61 -2.73 1.25 4.81 -1.57 -2.79 114.58 114.24 1b4c h GLU 45 Ca 0.36 -0.04 -0.60 0.00 -0.13 0.00 0.00 59.36 58.95 1b4c h GLU 45 Cb 0.61 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1b4c h GLU 45 CO -0.62 0.40 2.81 -1.91 -0.73 0.00 0.00 179.01 178.96 1b4c n GLU 46 N -4.57 3.56 -4.34 1.92 2.13 0.12 -4.88 120.64 114.58 1b4c n GLU 46 Ca 0.19 -2.26 -0.19 0.00 0.66 0.00 0.00 57.16 55.56 1b4c n GLU 46 Cb 0.54 -2.62 -0.10 0.00 0.27 0.00 0.00 31.44 29.53 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 1.19 1.73 0.00 6.31 1.01 -1.05 -4.65 121.20 125.74 1b4c s ILE 47 Ca 0.66 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 59.20 1b4c s ILE 47 Cb 0.21 -1.97 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1b4c s ILE 47 CO -0.06 -0.52 0.00 0.29 0.00 0.00 0.00 174.94 174.64 1b4c n LYS 48 N -0.17 0.00 -1.81 2.79 5.02 -1.26 -4.92 118.16 117.81 1b4c n LYS 48 Ca -0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 1b4c n LYS 48 Cb 0.59 -0.26 -0.01 0.00 -0.02 0.00 0.00 35.03 35.33 1b4c n LYS 48 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1b4c n GLU 49 N -1.77 3.77 -0.44 1.97 -0.58 -1.26 -4.75 120.64 117.58 1b4c n GLU 49 Ca 0.00 -2.92 0.41 0.00 -0.42 0.00 0.00 57.16 54.22 1b4c n GLU 49 Cb 0.00 -2.88 0.77 0.00 -0.57 0.00 0.00 31.44 28.76 1b4c n GLU 49 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1b4c h GLN 50 N 5.25 0.00 0.00 3.49 4.15 -1.95 0.84 115.11 126.89 1b4c h GLN 50 Ca 0.66 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 60.03 1b4c h GLN 50 Cb 0.44 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1b4c h GLN 50 CO 1.69 0.00 -0.24 1.49 -1.93 0.00 0.00 178.83 179.84 1b4c h GLU 51 N 0.00 0.00 -0.02 1.69 4.81 -1.99 0.23 114.58 119.30 1b4c h GLU 51 Ca 0.68 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.88 1b4c h GLU 51 Cb 2.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.09 1b4c h GLU 51 CO -0.01 0.24 -0.10 0.28 -0.73 0.00 0.00 179.01 178.70 1b4c h VAL 52 N 0.00 1.51 -0.11 0.32 2.07 0.32 -2.49 116.25 117.87 1b4c h VAL 52 Ca -0.00 -1.65 -0.05 0.00 0.82 0.00 0.00 66.70 65.82 1b4c h VAL 52 Cb 0.76 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.08 1b4c h VAL 52 CO 0.03 0.44 -0.15 0.58 0.02 0.00 0.00 177.57 178.49 1b4c h VAL 53 N -0.54 1.17 -0.20 2.57 2.07 -1.43 -2.66 116.25 117.24 1b4c h VAL 53 Ca -0.01 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1b4c h VAL 53 Cb 0.77 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.79 1b4c h VAL 53 CO 0.02 0.24 0.12 -0.78 0.02 0.00 0.00 177.57 177.19 1b4c h ASP 54 N 0.17 0.23 0.42 0.57 3.58 -0.84 -2.11 116.42 118.44 1b4c h ASP 54 Ca 0.03 -0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.39 1b4c h ASP 54 Cb 0.38 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1b4c h ASP 54 CO 0.02 0.22 -0.23 0.11 -2.88 0.00 0.00 179.24 176.48 1b4c h LYS 55 N 0.23 0.00 0.49 0.28 1.57 -1.12 -2.51 116.57 115.51 1b4c h LYS 55 Ca 0.07 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1b4c h LYS 55 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1b4c h LYS 55 CO -0.01 0.23 -0.24 0.28 -0.57 0.00 0.00 179.45 179.14 1b4c h VAL 56 N 0.00 0.45 -0.67 0.50 2.07 -1.08 1.50 116.25 119.03 1b4c h VAL 56 Ca -0.00 -0.32 0.19 0.00 0.82 0.00 0.00 66.70 67.40 1b4c h VAL 56 Cb 0.50 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1b4c h VAL 56 CO 0.03 0.05 0.49 0.24 0.02 0.00 0.00 177.57 178.40 1b4c h MET 57 N -0.87 0.00 0.13 1.57 2.86 -1.18 0.74 114.93 118.18 1b4c h MET 57 Ca -0.07 0.00 -0.33 0.00 -2.06 0.00 0.00 59.70 57.24 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 -1.75 1.49 1.06 0.00 0.00 176.91 177.82 1b4c h GLU 58 N 0.00 0.27 -0.31 1.72 4.81 -1.00 -2.06 114.58 118.01 1b4c h GLU 58 Ca 0.32 -0.46 -0.08 0.00 -0.13 0.00 0.00 59.36 59.01 1b4c h GLU 58 Cb 1.29 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 1b4c h GLU 58 CO -0.00 1.13 -0.12 1.15 -0.73 0.00 0.00 179.01 180.44 1b4c h THR 59 N 0.07 1.29 0.57 0.32 2.02 0.39 -0.38 112.91 117.18 1b4c h THR 59 Ca -0.33 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 65.62 1b4c h THR 59 Cb 2.05 1.43 0.01 0.00 -1.74 0.00 0.00 68.15 69.89 1b4c h THR 59 CO 0.14 0.38 -0.27 0.25 0.37 0.00 0.00 175.52 176.39 1b4c h LEU 60 N 0.38 -0.64 -1.38 2.58 5.85 0.28 -1.43 115.31 120.95 1b4c h LEU 60 Ca 0.07 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1b4c h LEU 60 Cb 0.63 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1b4c h LEU 60 CO 0.04 -0.32 0.47 -0.78 -0.34 0.00 0.00 178.44 177.51 1b4c h ASP 61 N -0.98 0.00 -1.20 1.25 1.82 -1.33 0.37 116.42 116.35 1b4c h ASP 61 Ca -0.08 0.00 -0.68 0.00 -0.39 0.00 0.00 57.03 55.88 1b4c h ASP 61 Cb 0.65 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.35 1b4c h ASP 61 CO 0.13 0.00 0.72 -0.62 -1.61 0.00 0.00 179.24 177.85 1b4c n GLU 62 N -2.65 2.81 -0.43 0.28 -0.58 -0.16 -4.71 120.64 115.20 1b4c n GLU 62 Ca -0.01 -3.45 0.35 0.00 -0.42 0.00 0.00 57.16 53.62 1b4c n GLU 62 Cb 0.50 -2.28 0.65 0.00 -0.57 0.00 0.00 31.44 29.73 1b4c n GLU 62 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1b4c h ASP 63 N 2.24 0.24 0.00 1.62 2.03 -0.24 -3.43 116.42 118.88 1b4c h ASP 63 Ca 0.57 0.10 0.00 0.00 -0.73 0.00 0.00 57.03 56.97 1b4c h ASP 63 Cb 0.72 0.07 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1b4c h ASP 63 CO 1.47 -0.08 0.00 0.61 -1.03 0.00 0.00 179.24 180.21 1b4c n GLY 64 N -1.58 0.00 0.08 7.15 0.00 -1.26 -4.47 105.19 105.11 1b4c n GLY 64 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.27 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 1.36 0.00 1.61 5.68 -1.26 -5.02 116.55 118.93 1b4c n ASP 65 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1b4c n ASP 65 Cb 0.00 0.71 0.00 0.00 -1.14 0.00 0.00 41.12 40.69 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 2.12 2.78 3.10 6.12 0.00 -1.26 -5.01 105.19 113.04 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 -0.54 0.00 0.00 0.00 173.32 172.78 1b4c s GLU 67 N -0.23 0.25 -0.18 1.61 2.02 -1.26 -4.86 118.70 116.05 1b4c s GLU 67 Ca 0.00 0.56 -0.05 0.00 0.02 0.00 0.00 54.97 55.50 1b4c s GLU 67 Cb 0.00 -0.08 -0.03 0.00 0.10 0.00 0.00 34.13 34.12 1b4c s GLU 67 CO 0.00 -0.15 -0.00 0.00 0.02 0.00 0.00 175.26 175.12 1b4c n ASP 69 N 3.82 0.11 0.01 0.00 2.03 -1.26 0.21 116.55 121.47 1b4c n ASP 69 Ca -0.17 -1.16 -0.13 0.00 0.52 0.00 0.00 54.79 53.85 1b4c n ASP 69 Cb 0.52 -0.21 -0.02 0.00 -0.72 0.00 0.00 41.12 40.70 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 -0.95 0.81 -0.89 -0.67 3.04 -1.95 -2.99 116.94 113.35 1b4c h PHE 70 Ca -0.09 -0.35 0.17 0.00 3.98 0.00 0.00 57.97 61.67 1b4c h PHE 70 Cb 0.27 -0.13 -0.07 0.00 2.56 0.00 0.00 35.95 38.59 1b4c h PHE 70 CO 0.00 1.14 0.58 0.37 -2.02 0.00 0.00 178.31 178.38 1b4c h GLN 71 N 0.42 0.56 0.00 1.11 4.15 -1.96 0.50 115.11 119.89 1b4c h GLN 71 Ca -0.04 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.28 1b4c h GLN 71 Cb 1.33 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 1b4c h GLN 71 CO 0.14 0.37 -0.31 0.93 -1.93 0.00 0.00 178.83 178.03 1b4c h GLU 72 N 0.58 0.00 0.02 1.69 4.39 -1.89 -2.72 114.58 116.64 1b4c h GLU 72 Ca 0.46 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.89 1b4c h GLU 72 Cb 0.89 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.56 1b4c h GLU 72 CO -0.20 0.31 -1.07 0.35 -1.16 0.00 0.00 179.01 177.23 1b4c h PHE 73 N 0.00 1.04 0.00 4.33 3.57 0.01 -1.80 116.94 124.09 1b4c h PHE 73 Ca -0.00 -0.58 -0.09 0.00 3.53 0.00 0.00 57.97 60.82 1b4c h PHE 73 Cb 0.88 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 1b4c h PHE 73 CO 0.00 1.42 -0.45 1.98 -2.23 0.00 0.00 178.31 179.03 1b4c h MET 74 N 0.38 0.00 0.03 1.11 4.05 -1.13 -2.16 114.93 117.21 1b4c h MET 74 Ca -0.14 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.28 1b4c h MET 74 Cb 1.73 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.53 1b4c h MET 74 CO 0.21 0.45 -0.01 0.00 0.23 0.00 0.00 176.91 177.79 1b4c h ALA 75 N 1.55 -0.04 -0.50 0.39 0.00 -1.47 -2.86 119.26 116.33 1b4c h ALA 75 Ca -0.00 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.82 1b4c h ALA 75 Cb 0.85 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1b4c h ALA 75 CO 0.06 -0.04 0.34 0.74 0.00 0.00 0.00 179.25 180.35 1b4c h PHE 76 N -1.00 0.31 -0.11 0.00 0.04 -1.40 0.36 116.94 115.15 1b4c h PHE 76 Ca -0.00 0.01 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 1b4c h PHE 76 Cb 0.36 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.39 1b4c h PHE 76 CO 0.09 0.15 -0.47 0.28 -0.60 0.00 0.00 178.31 177.76 1b4c h VAL 77 N 0.30 1.33 -0.08 -0.55 2.07 -1.48 -3.08 116.25 114.76 1b4c h VAL 77 Ca 0.23 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1b4c h VAL 77 Cb 0.52 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1b4c h VAL 77 CO -0.05 0.50 -0.06 -1.28 0.02 0.00 0.00 177.57 176.70 1b4c h SER 78 N 0.22 0.19 -0.07 0.57 0.87 -0.69 -2.71 113.55 111.93 1b4c h SER 78 Ca 0.01 -0.45 0.04 0.00 -1.23 0.00 0.00 61.79 60.16 1b4c h SER 78 Cb 0.91 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.78 1b4c h SER 78 CO 0.07 0.60 -0.21 0.24 -0.53 0.00 0.00 176.83 177.01 1b4c h MET 79 N -0.23 -0.28 -0.39 2.24 2.07 -1.45 1.66 114.93 118.55 1b4c h MET 79 Ca 0.01 0.02 0.07 0.00 -2.07 0.00 0.00 59.70 57.73 1b4c h MET 79 Cb 0.54 0.06 -0.06 0.00 -1.87 0.00 0.00 31.60 30.28 1b4c h MET 79 CO 0.02 -0.19 0.05 0.28 1.07 0.00 0.00 176.91 178.14 1b4c h VAL 80 N -0.29 0.76 -0.49 -2.22 2.07 -1.59 2.33 116.25 116.82 1b4c h VAL 80 Ca 0.08 -0.06 -0.13 0.00 0.82 0.00 0.00 66.70 67.41 1b4c h VAL 80 Cb 0.41 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1b4c h VAL 80 CO -0.24 0.03 -0.20 0.71 0.02 0.00 0.00 177.57 177.89 1b4c h THR 81 N 0.17 1.27 0.00 2.57 1.35 -1.05 -2.33 112.91 114.89 1b4c h THR 81 Ca 0.19 -1.37 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 1b4c h THR 81 Cb 0.25 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1b4c h THR 81 CO -0.28 0.47 0.00 0.74 -0.25 0.00 0.00 175.52 176.21 1b4c h THR 82 N 0.86 0.00 -0.57 6.82 2.02 0.36 -3.11 112.91 119.30 1b4c h THR 82 Ca 0.11 -0.58 0.08 0.00 0.77 0.00 0.00 66.41 66.79 1b4c h THR 82 Cb 0.78 1.57 -0.07 0.00 -1.74 0.00 0.00 68.15 68.70 1b4c h THR 82 CO 0.06 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.16 1b4c h ALA 83 N 2.02 0.72 0.00 6.16 0.00 0.45 -2.13 119.26 126.47 1b4c h ALA 83 Ca 0.00 0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.67 1b4c h ALA 83 Cb 0.60 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1b4c h ALA 83 CO 0.00 -0.20 1.51 0.00 0.00 0.00 0.00 179.25 180.55 1b4c n HIS 85 N 3.32 -1.99 -1.87 0.00 -0.00 -0.80 -2.93 115.22 110.96 1b4c n HIS 85 Ca 0.44 0.14 -0.19 0.00 0.46 0.00 0.00 57.72 58.57 1b4c n HIS 85 Cb 0.41 -1.42 -0.06 0.00 -0.12 0.00 0.00 29.99 28.81 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 -1.12 -1.56 0.26 1.57 2.13 -1.26 -4.81 120.64 115.85 1b4c n GLU 86 Ca 0.04 1.05 0.12 0.00 0.66 0.00 0.00 57.16 59.03 1b4c n GLU 86 Cb 0.41 -5.52 0.69 0.00 0.27 0.00 0.00 31.44 27.30 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 -0.99 4.31 -0.00 -1.93 -2.49 116.94 115.83 1b4c h PHE 87 Ca -0.41 0.00 0.20 0.00 -0.00 0.00 0.00 57.97 57.75 1b4c h PHE 87 Cb 1.28 0.00 -0.10 0.00 -0.00 0.00 0.00 35.95 37.13 1b4c h PHE 87 CO 0.56 0.13 0.61 0.74 -0.00 0.00 0.00 178.31 180.35 1b4c h PHE 88 N 0.00 0.97 -0.62 6.09 0.04 -1.90 -2.07 116.94 119.45 1b4c h PHE 88 Ca -0.00 0.03 -0.71 0.00 2.80 0.00 0.00 57.97 60.09 1b4c h PHE 88 Cb 0.38 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 38.19 1b4c h PHE 88 CO 0.00 0.21 3.06 0.39 -0.60 0.00 0.00 178.31 181.37 1b4c n GLU 89 N -4.72 4.13 -2.13 1.51 4.71 -0.94 -4.92 120.64 118.27 1b4c n GLU 89 Ca 0.23 -2.89 -0.42 0.00 -0.01 0.00 0.00 57.16 54.07 1b4c n GLU 89 Cb 0.62 -2.73 -0.03 0.00 -1.01 0.00 0.00 31.44 28.29 1b4c n GLU 89 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1b4c s HIS 90 N 0.48 1.96 -1.45 -0.32 2.46 -0.78 -5.11 115.29 112.53 1b4c s HIS 90 Ca 0.60 0.65 0.00 0.00 0.47 0.00 0.00 55.06 56.79 1b4c s HIS 90 Cb 0.18 -4.19 0.00 0.00 -0.13 0.00 0.00 32.58 28.44 1b4c s HIS 90 CO -0.08 -2.48 0.36 -0.85 -2.47 0.00 0.00 174.74 169.23