#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 2.34 0.40 3.17 1.04 -1.26 -4.84 113.70 114.56 1b4c s SER 1 Ca 0.00 1.21 0.09 0.00 0.48 0.00 0.00 55.95 57.73 1b4c s SER 1 Cb 0.00 -1.89 0.87 0.00 0.10 0.00 0.00 66.02 65.11 1b4c s SER 1 CO 0.00 -3.31 1.98 -0.08 0.98 0.00 0.00 173.24 172.81 1b4c h GLU 2 N -2.01 0.57 -0.14 4.02 4.57 -2.07 -2.08 114.58 117.44 1b4c h GLU 2 Ca -0.56 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.59 1b4c h GLU 2 Cb 1.33 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1b4c h GLU 2 CO 0.57 0.38 0.08 1.25 -1.18 0.00 0.00 179.01 180.10 1b4c h LEU 3 N 0.59 0.18 -0.69 1.64 6.46 -2.00 -2.61 115.31 118.88 1b4c h LEU 3 Ca 0.28 -0.09 0.14 0.00 -0.12 0.00 0.00 57.88 58.09 1b4c h LEU 3 Cb 0.33 -0.04 -0.10 0.00 -0.73 0.00 0.00 40.66 40.12 1b4c h LEU 3 CO -0.09 0.21 0.14 -0.33 -0.62 0.00 0.00 178.44 177.75 1b4c h GLU 4 N 0.12 0.24 -0.95 1.25 5.08 -1.71 0.48 114.58 119.09 1b4c h GLU 4 Ca 0.05 -0.01 0.22 0.00 -1.00 0.00 0.00 59.36 58.61 1b4c h GLU 4 Cb 0.08 -0.05 -0.12 0.00 0.50 0.00 0.00 28.75 29.16 1b4c h GLU 4 CO -0.01 0.16 0.52 0.87 -1.00 0.00 0.00 179.01 179.55 1b4c h LYS 5 N 0.24 0.54 0.05 2.33 1.79 -1.36 0.88 116.57 121.05 1b4c h LYS 5 Ca 0.38 -0.03 -0.23 0.00 -2.18 0.00 0.00 60.65 58.58 1b4c h LYS 5 Cb 0.62 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 1b4c h LYS 5 CO -0.49 0.36 -1.08 0.00 -1.08 0.00 0.00 179.45 177.16 1b4c h ALA 6 N 1.69 0.27 -0.30 3.86 0.00 -0.07 -2.25 119.26 122.46 1b4c h ALA 6 Ca 0.59 -0.87 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1b4c h ALA 6 Cb 1.07 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1b4c h ALA 6 CO -0.47 1.09 0.16 1.98 0.00 0.00 0.00 179.25 182.02 1b4c h MET 7 N 0.04 0.42 -0.27 0.00 -1.53 0.17 -0.92 114.93 112.85 1b4c h MET 7 Ca -0.07 -0.05 -0.14 0.00 -3.44 0.00 0.00 59.70 56.00 1b4c h MET 7 Cb 1.81 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 32.77 1b4c h MET 7 CO 0.16 0.37 -0.40 0.28 0.14 0.00 0.00 176.91 177.45 1b4c h VAL 8 N 0.37 1.29 -0.23 -5.77 2.07 -1.34 -3.10 116.25 109.55 1b4c h VAL 8 Ca 0.11 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 66.08 1b4c h VAL 8 Cb 0.07 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1b4c h VAL 8 CO -0.02 0.50 0.07 0.00 0.02 0.00 0.00 177.57 178.15 1b4c h ALA 9 N 1.02 0.25 -0.14 1.67 0.00 -0.97 -2.15 119.26 118.95 1b4c h ALA 9 Ca 0.04 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1b4c h ALA 9 Cb 0.93 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1b4c h ALA 9 CO 0.08 -0.35 -0.35 -0.07 0.00 0.00 0.00 179.25 178.57 1b4c h LEU 10 N 0.17 -1.08 -0.91 0.00 3.38 -1.11 -0.34 115.31 115.43 1b4c h LEU 10 Ca 0.10 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.33 1b4c h LEU 10 Cb 0.07 0.46 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 1b4c h LEU 10 CO -0.11 -0.38 0.54 0.40 0.09 0.00 0.00 178.44 178.99 1b4c h ILE 11 N -0.42 0.90 -0.21 1.22 2.04 -1.45 -0.87 117.51 118.72 1b4c h ILE 11 Ca 0.09 -0.30 -0.16 0.00 1.00 0.00 0.00 64.86 65.49 1b4c h ILE 11 Cb 0.57 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1b4c h ILE 11 CO -0.37 0.16 -0.53 -0.78 0.00 0.00 0.00 178.15 176.63 1b4c h ASP 12 N 0.88 0.67 -0.28 1.72 3.58 -0.61 -2.71 116.42 119.66 1b4c h ASP 12 Ca 0.45 -0.35 -0.13 0.00 0.42 0.00 0.00 57.03 57.42 1b4c h ASP 12 Cb 0.44 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.29 1b4c h ASP 12 CO -0.26 1.07 -0.32 0.58 -2.88 0.00 0.00 179.24 177.43 1b4c h VAL 13 N 0.47 1.30 -0.55 2.25 2.07 -0.35 -0.13 116.25 121.31 1b4c h VAL 13 Ca 0.01 -1.49 0.12 0.00 0.82 0.00 0.00 66.70 66.16 1b4c h VAL 13 Cb 1.08 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1b4c h VAL 13 CO 0.10 0.48 0.38 0.15 0.02 0.00 0.00 177.57 178.70 1b4c h PHE 14 N 0.45 0.23 0.03 1.57 3.04 -1.17 0.13 116.94 121.23 1b4c h PHE 14 Ca 0.04 0.01 -0.22 0.00 3.98 0.00 0.00 57.97 61.78 1b4c h PHE 14 Cb 0.89 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.32 1b4c h PHE 14 CO 0.07 0.10 -0.98 1.25 -2.02 0.00 0.00 178.31 176.73 1b4c h HIS 15 N 0.21 0.28 -0.63 0.41 2.76 -1.07 -3.14 115.15 113.96 1b4c h HIS 15 Ca 0.26 -0.17 0.10 0.00 -2.20 0.00 0.00 60.37 58.35 1b4c h HIS 15 Cb 0.74 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.61 1b4c h HIS 15 CO -0.00 1.05 0.24 0.37 -1.30 0.00 0.00 177.93 178.29 1b4c h GLN 16 N 0.08 0.42 -0.06 5.26 -0.00 0.11 -0.33 115.11 120.58 1b4c h GLN 16 Ca -0.06 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.65 58.51 1b4c h GLN 16 Cb 1.66 -0.09 0.00 0.00 0.00 0.00 0.00 27.48 29.05 1b4c h GLN 16 CO 0.15 0.28 -0.19 1.88 0.00 0.00 0.00 178.83 180.95 1b4c h TYR 17 N 0.43 0.31 -2.15 3.99 -1.99 -1.61 -3.31 116.97 112.65 1b4c h TYR 17 Ca 0.32 -0.12 -0.80 0.00 2.00 0.00 0.00 58.73 60.12 1b4c h TYR 17 Cb 0.40 -0.05 -0.26 0.00 2.00 0.00 0.00 36.73 38.82 1b4c h TYR 17 CO -0.16 0.80 1.16 0.43 -0.00 0.00 0.00 178.16 180.39 1b4c n SER 18 N -4.56 7.43 0.00 3.88 7.64 -0.93 -4.36 113.62 122.72 1b4c n SER 18 Ca -0.08 -3.64 0.00 0.00 1.01 0.00 0.00 58.87 56.16 1b4c n SER 18 Cb 0.42 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 0.09 0.59 0.23 0.23 0.00 -0.18 -3.98 105.19 102.17 1b4c n GLY 19 Ca 0.49 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.58 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 0.00 0.00 1.61 2.43 -1.83 -3.41 114.38 113.18 1b4c h ARG 20 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1b4c h ARG 20 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1b4c h ARG 20 CO 0.00 0.22 0.00 -1.91 -1.51 0.00 0.00 179.97 176.77 1b4c n GLU 21 N -3.92 0.00 -1.07 0.20 2.13 -1.26 -4.99 120.64 111.74 1b4c n GLU 21 Ca -0.02 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.76 1b4c n GLU 21 Cb 0.30 -0.13 -0.02 0.00 0.27 0.00 0.00 31.44 31.86 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 0.55 0.40 0.34 8.31 0.00 -1.26 -4.73 105.19 108.80 1b4c n GLY 22 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.10 -3.09 1.61 3.58 -1.94 -3.40 116.42 112.08 1b4c h ASP 23 Ca -0.09 0.18 -0.47 0.00 0.42 0.00 0.00 57.03 57.07 1b4c h ASP 23 Cb 0.29 0.49 0.03 0.00 1.72 0.00 0.00 39.33 41.86 1b4c h ASP 23 CO 0.12 -0.34 -0.02 -0.54 -2.88 0.00 0.00 179.24 175.58 1b4c s LYS 24 N -5.98 3.19 -0.53 0.28 1.02 -1.26 -5.00 119.74 111.46 1b4c s LYS 24 Ca -0.15 -0.24 0.03 0.00 0.02 0.00 0.00 55.97 55.63 1b4c s LYS 24 Cb 0.12 -2.48 0.42 0.00 -0.52 0.00 0.00 37.83 35.37 1b4c s LYS 24 CO 0.67 -0.28 1.52 -2.39 -0.92 0.00 0.00 175.35 173.94 1b4c n HIS 25 N -2.17 3.10 -4.12 3.18 1.44 -1.26 -4.99 115.22 110.40 1b4c n HIS 25 Ca 0.01 -2.68 -0.14 0.00 -2.01 0.00 0.00 57.72 52.90 1b4c n HIS 25 Cb 0.57 -0.67 -0.11 0.00 0.12 0.00 0.00 29.99 29.90 1b4c n HIS 25 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1b4c s LYS 26 N -3.73 0.69 -0.00 -1.40 1.02 -1.26 -4.73 119.74 110.32 1b4c s LYS 26 Ca 0.53 -0.94 0.07 0.00 0.02 0.00 0.00 55.97 55.65 1b4c s LYS 26 Cb 0.43 -0.46 -0.02 0.00 -0.52 0.00 0.00 37.83 37.27 1b4c s LYS 26 CO -0.14 0.08 -0.22 -1.17 -0.92 0.00 0.00 175.35 172.98 1b4c s LEU 27 N -1.94 2.07 0.32 3.17 2.96 0.95 -4.95 118.68 121.26 1b4c s LEU 27 Ca -0.03 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.37 1b4c s LEU 27 Cb -0.07 -1.12 -0.06 0.00 0.50 0.00 0.00 46.19 45.44 1b4c s LEU 27 CO 0.00 0.25 0.64 -0.75 -1.32 0.00 0.00 176.35 175.17 1b4c s LYS 28 N -0.65 3.75 0.24 1.98 2.20 -1.26 0.99 119.74 126.99 1b4c s LYS 28 Ca 0.08 0.28 -0.06 0.00 -0.36 0.00 0.00 55.97 55.91 1b4c s LYS 28 Cb -0.09 -2.54 0.23 0.00 -1.51 0.00 0.00 37.83 33.92 1b4c s LYS 28 CO -0.00 0.15 1.85 1.57 -0.36 0.00 0.00 175.35 178.56 1b4c h LYS 29 N 1.79 1.20 -0.90 4.03 5.09 -1.91 -0.67 116.57 125.21 1b4c h LYS 29 Ca -0.47 -0.16 0.02 0.00 0.09 0.00 0.00 60.65 60.13 1b4c h LYS 29 Cb 1.18 -0.23 -0.05 0.00 0.10 0.00 0.00 32.23 33.24 1b4c h LYS 29 CO 0.66 0.90 0.59 0.66 -2.09 0.00 0.00 179.45 180.17 1b4c h SER 30 N 1.20 1.00 0.64 7.07 4.64 -1.93 0.09 113.55 126.26 1b4c h SER 30 Ca 0.30 -0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.33 1b4c h SER 30 Cb 0.08 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1b4c h SER 30 CO -0.04 0.70 -1.25 -0.33 -0.87 0.00 0.00 176.83 175.04 1b4c h GLU 31 N 1.17 0.26 -0.51 4.77 5.08 -1.89 -3.24 114.58 120.21 1b4c h GLU 31 Ca 0.35 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1b4c h GLU 31 Cb -0.06 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1b4c h GLU 31 CO -0.10 1.20 0.28 1.25 -1.00 0.00 0.00 179.01 180.64 1b4c h LEU 32 N 0.07 0.65 0.04 1.33 5.85 -0.76 -2.84 115.31 119.66 1b4c h LEU 32 Ca -0.13 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.52 1b4c h LEU 32 Cb 1.96 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.78 1b4c h LEU 32 CO 0.20 0.56 -0.33 0.11 -0.34 0.00 0.00 178.44 178.64 1b4c h LYS 33 N 0.69 -0.49 -1.16 1.25 1.57 -1.03 0.39 116.57 117.79 1b4c h LYS 33 Ca 0.18 0.03 0.33 0.00 -1.87 0.00 0.00 60.65 59.32 1b4c h LYS 33 Cb 0.06 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.40 1b4c h LYS 33 CO -0.03 -0.32 0.78 0.93 -0.57 0.00 0.00 179.45 180.24 1b4c h GLU 34 N -0.50 0.21 -0.30 3.15 4.39 -1.53 0.35 114.58 120.34 1b4c h GLU 34 Ca 0.05 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 1b4c h GLU 34 Cb 0.57 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1b4c h GLU 34 CO -0.24 0.14 -0.13 1.25 -1.16 0.00 0.00 179.01 178.87 1b4c h LEU 35 N 0.21 0.64 -1.20 1.33 5.85 -0.76 -2.78 115.31 118.59 1b4c h LEU 35 Ca 0.64 -0.40 0.12 0.00 0.84 0.00 0.00 57.88 59.08 1b4c h LEU 35 Cb 1.99 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.78 1b4c h LEU 35 CO -0.23 0.90 0.58 0.40 -0.34 0.00 0.00 178.44 179.75 1b4c h ILE 36 N 0.38 0.91 0.00 4.05 2.04 0.22 0.54 117.51 125.65 1b4c h ILE 36 Ca 0.07 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 1b4c h ILE 36 Cb 0.65 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1b4c h ILE 36 CO 0.04 0.15 -0.18 -1.13 0.00 0.00 0.00 178.15 177.03 1b4c h ASN 37 N 0.83 0.00 -0.07 1.72 -0.00 -1.16 -1.61 115.58 115.29 1b4c h ASN 37 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.74 1b4c h ASN 37 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.86 1b4c h ASN 37 CO -0.20 0.18 0.00 0.59 -0.00 0.00 0.00 177.43 178.00 1b4c n ASN 38 N -3.85 1.87 0.00 1.15 3.02 -0.08 -4.29 115.26 113.08 1b4c n ASN 38 Ca -0.02 -1.58 0.00 0.00 -0.03 0.00 0.00 54.58 52.95 1b4c n ASN 38 Cb 0.28 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.11 3.38 -0.34 3.52 4.07 0.17 -4.71 120.64 126.84 1b4c n GLU 39 Ca 0.04 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.21 1b4c n GLU 39 Cb 0.22 -0.99 0.18 0.00 -0.06 0.00 0.00 31.44 30.79 1b4c n GLU 39 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1b4c n LEU 40 N -1.90 2.84 0.21 4.31 4.32 -0.61 -4.65 117.00 121.51 1b4c n LEU 40 Ca 0.00 -3.37 0.08 0.00 -0.02 0.00 0.00 56.01 52.70 1b4c n LEU 40 Cb 0.42 -0.49 0.44 0.00 -1.62 0.00 0.00 43.42 42.16 1b4c n LEU 40 CO 0.00 0.95 0.77 -1.28 -1.22 0.00 0.00 177.39 176.60 1b4c h SER 41 N 0.62 0.00 -0.11 -1.43 0.87 -1.75 -2.38 113.55 109.38 1b4c h SER 41 Ca 0.02 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.42 1b4c h SER 41 Cb 1.13 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.10 1b4c h SER 41 CO 0.07 0.29 -0.56 -0.74 -0.53 0.00 0.00 176.83 175.36 1b4c h HIS 42 N 0.00 0.77 0.00 2.24 -0.00 -1.93 -3.08 115.15 113.15 1b4c h HIS 42 Ca -0.00 -0.34 -0.04 0.00 -0.00 0.00 0.00 60.37 59.99 1b4c h HIS 42 Cb 0.74 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 1b4c h HIS 42 CO 0.00 1.13 -0.17 0.74 -0.00 0.00 0.00 177.93 179.63 1b4c h PHE 43 N 0.19 0.00 -1.13 5.26 0.04 -1.87 -3.01 116.94 116.42 1b4c h PHE 43 Ca -0.04 0.00 0.33 0.00 2.80 0.00 0.00 57.97 61.06 1b4c h PHE 43 Cb 1.21 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.31 1b4c h PHE 43 CO 0.11 0.17 0.85 1.25 -0.60 0.00 0.00 178.31 180.09 1b4c h LEU 44 N 0.00 0.00 -0.16 1.54 7.12 -1.33 0.33 115.31 122.81 1b4c h LEU 44 Ca -0.00 0.00 -0.19 0.00 0.13 0.00 0.00 57.88 57.81 1b4c h LEU 44 Cb 0.63 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 40.76 1b4c h LEU 44 CO 0.02 0.00 -0.65 -0.08 -0.13 0.00 0.00 178.44 177.60 1b4c h GLU 45 N 0.00 0.73 -2.68 1.25 4.81 -1.70 -3.29 114.58 113.69 1b4c h GLU 45 Ca 0.54 -0.57 -0.70 0.00 -0.13 0.00 0.00 59.36 58.50 1b4c h GLU 45 Cb 2.23 0.11 -0.08 0.00 0.63 0.00 0.00 28.75 31.64 1b4c h GLU 45 CO -0.01 1.18 2.68 0.39 -0.73 0.00 0.00 179.01 182.53 1b4c n GLU 46 N -4.04 4.21 -3.99 1.92 1.02 0.12 -4.83 120.64 115.04 1b4c n GLU 46 Ca -0.07 -3.02 -0.31 0.00 -0.02 0.00 0.00 57.16 53.74 1b4c n GLU 46 Cb 0.68 -2.64 -0.15 0.00 -0.02 0.00 0.00 31.44 29.31 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 -0.25 2.08 -0.08 -3.67 -1.09 -1.24 -4.57 121.20 112.37 1b4c s ILE 47 Ca 0.59 -2.09 -0.11 0.00 -2.23 0.00 0.00 60.65 56.82 1b4c s ILE 47 Cb 0.19 -2.48 -0.29 0.00 -1.58 0.00 0.00 42.46 38.31 1b4c s ILE 47 CO -0.09 -0.50 0.55 0.11 -1.23 0.00 0.00 174.94 173.79 1b4c h LYS 48 N 7.70 0.33 -5.94 2.79 1.79 -1.88 -3.43 116.57 117.93 1b4c h LYS 48 Ca -0.08 -0.57 -0.60 0.00 -2.18 0.00 0.00 60.65 57.22 1b4c h LYS 48 Cb 1.03 0.21 -0.12 0.00 -1.58 0.00 0.00 32.23 31.77 1b4c h LYS 48 CO 0.50 1.27 0.61 -1.21 -1.08 0.00 0.00 179.45 179.54 1b4c s GLU 49 N -2.55 3.35 0.12 3.15 8.01 -1.26 -4.86 118.70 124.66 1b4c s GLU 49 Ca -0.19 -0.21 0.11 0.00 0.01 0.00 0.00 54.97 54.69 1b4c s GLU 49 Cb 0.06 -4.05 -0.14 0.00 -4.31 0.00 0.00 34.13 25.68 1b4c s GLU 49 CO 0.81 -1.51 1.15 1.96 0.01 0.00 0.00 175.26 177.69 1b4c h GLN 50 N 9.34 0.00 0.00 1.61 7.50 -1.94 -3.27 115.11 128.35 1b4c h GLN 50 Ca -0.26 0.00 -0.03 0.00 0.50 0.00 0.00 58.65 58.86 1b4c h GLN 50 Cb 1.07 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.60 1b4c h GLN 50 CO 1.10 0.72 -0.15 0.93 -1.50 0.00 0.00 178.83 179.93 1b4c h GLU 51 N 0.00 0.00 0.01 1.46 4.39 -1.99 -1.79 114.58 116.66 1b4c h GLU 51 Ca -0.08 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1b4c h GLU 51 Cb 1.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 1b4c h GLU 51 CO 0.10 0.15 -0.00 0.28 -1.16 0.00 0.00 179.01 178.37 1b4c h VAL 52 N 0.00 1.55 -0.31 3.13 2.07 -1.96 -2.83 116.25 117.90 1b4c h VAL 52 Ca -0.00 -1.74 -0.04 0.00 0.82 0.00 0.00 66.70 65.74 1b4c h VAL 52 Cb 0.79 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.26 1b4c h VAL 52 CO 0.02 0.44 0.02 0.58 0.02 0.00 0.00 177.57 178.65 1b4c h VAL 53 N -0.77 1.18 -0.74 2.57 2.07 -1.62 -2.25 116.25 116.69 1b4c h VAL 53 Ca -0.00 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.87 1b4c h VAL 53 Cb 0.74 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 1b4c h VAL 53 CO 0.00 0.23 0.48 0.44 0.02 0.00 0.00 177.57 178.74 1b4c h ASP 54 N 0.46 0.80 0.67 0.57 3.32 -1.32 -1.52 116.42 119.40 1b4c h ASP 54 Ca 0.10 -0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 1b4c h ASP 54 Cb 0.27 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1b4c h ASP 54 CO 0.01 0.57 -0.34 0.11 -1.72 0.00 0.00 179.24 177.86 1b4c h LYS 55 N 0.95 0.00 0.50 3.56 1.79 -1.16 -3.05 116.57 119.17 1b4c h LYS 55 Ca 0.29 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.73 1b4c h LYS 55 Cb -0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.62 1b4c h LYS 55 CO -0.09 0.34 -0.24 0.28 -1.08 0.00 0.00 179.45 178.66 1b4c h VAL 56 N 0.00 0.49 -0.34 0.50 2.07 -0.91 0.18 116.25 118.23 1b4c h VAL 56 Ca -0.00 -0.19 0.10 0.00 0.82 0.00 0.00 66.70 67.42 1b4c h VAL 56 Cb 0.77 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1b4c h VAL 56 CO 0.04 0.03 0.39 0.24 0.02 0.00 0.00 177.57 178.30 1b4c h MET 57 N -0.79 0.00 0.09 1.57 2.86 -1.40 0.12 114.93 117.38 1b4c h MET 57 Ca -0.07 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.27 1b4c h MET 57 Cb 0.57 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 -1.58 1.49 1.06 0.00 0.00 176.91 178.00 1b4c h GLU 58 N 0.00 0.19 -0.06 1.72 4.81 -1.26 -2.63 114.58 117.35 1b4c h GLU 58 Ca 0.16 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 1b4c h GLU 58 Cb 0.94 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 1b4c h GLU 58 CO -0.00 1.01 -0.01 1.79 -0.73 0.00 0.00 179.01 181.07 1b4c h THR 59 N 0.05 1.28 0.55 0.32 1.35 0.18 0.11 112.91 116.76 1b4c h THR 59 Ca -0.25 -0.89 -0.02 0.00 -0.55 0.00 0.00 66.41 64.70 1b4c h THR 59 Cb 2.00 1.76 -0.01 0.00 -1.73 0.00 0.00 68.15 70.17 1b4c h THR 59 CO 0.14 0.24 -0.34 -0.07 -0.25 0.00 0.00 175.52 175.24 1b4c h LEU 60 N -0.22 -0.86 -1.87 3.87 3.38 -1.25 0.54 115.31 118.91 1b4c h LEU 60 Ca 0.02 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.15 1b4c h LEU 60 Cb 0.39 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1b4c h LEU 60 CO 0.01 -0.53 0.50 0.44 0.09 0.00 0.00 178.44 178.94 1b4c h ASP 61 N -0.85 0.00 -0.99 -0.43 5.19 -1.42 0.31 116.42 118.23 1b4c h ASP 61 Ca -0.07 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.67 1b4c h ASP 61 Cb 0.69 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 39.90 1b4c h ASP 61 CO 0.07 0.00 0.80 -0.62 -3.12 0.00 0.00 179.24 176.37 1b4c n GLU 62 N -3.52 2.72 -0.40 3.56 1.02 0.37 -4.67 120.64 119.72 1b4c n GLU 62 Ca 0.07 -3.32 0.32 0.00 -0.02 0.00 0.00 57.16 54.21 1b4c n GLU 62 Cb 0.66 -2.29 0.61 0.00 -0.02 0.00 0.00 31.44 30.41 1b4c n GLU 62 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 1b4c h ASP 63 N 1.98 0.29 0.00 1.62 3.58 -0.09 -3.43 116.42 120.37 1b4c h ASP 63 Ca 0.60 0.10 0.00 0.00 0.42 0.00 0.00 57.03 58.15 1b4c h ASP 63 Cb 0.89 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1b4c h ASP 63 CO 1.55 -0.06 0.00 0.61 -2.88 0.00 0.00 179.24 178.46 1b4c n GLY 64 N -1.54 0.00 0.07 -0.78 0.00 -1.26 -4.47 105.19 97.21 1b4c n GLY 64 Ca 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.26 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 1.71 0.00 1.61 5.68 -1.26 -5.02 116.55 119.26 1b4c n ASP 65 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1b4c n ASP 65 Cb 0.00 0.68 0.00 0.00 -1.14 0.00 0.00 41.12 40.66 1b4c n ASP 65 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b4c n GLY 66 N 2.21 2.70 3.16 6.12 0.00 -1.26 -5.01 105.19 113.11 1b4c n GLY 66 Ca -0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1b4c n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b4c s GLU 67 N -0.27 0.30 -0.22 1.61 2.02 -1.26 -4.85 118.70 116.03 1b4c s GLU 67 Ca 0.00 0.63 -0.09 0.00 0.02 0.00 0.00 54.97 55.53 1b4c s GLU 67 Cb 0.00 -0.05 -0.04 0.00 0.10 0.00 0.00 34.13 34.13 1b4c s GLU 67 CO 0.00 -0.15 0.11 0.00 0.02 0.00 0.00 175.26 175.24 1b4c n ASP 69 N 4.12 0.24 0.08 0.00 2.03 -1.26 -0.04 116.55 121.72 1b4c n ASP 69 Ca -0.16 -1.33 -0.11 0.00 0.52 0.00 0.00 54.79 53.72 1b4c n ASP 69 Cb 0.52 -0.43 -0.03 0.00 -0.72 0.00 0.00 41.12 40.46 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 -1.09 0.41 -0.94 -0.67 3.04 -1.95 -3.05 116.94 112.69 1b4c h PHE 70 Ca -0.19 -0.23 0.03 0.00 3.98 0.00 0.00 57.97 61.56 1b4c h PHE 70 Cb 0.57 -0.04 -0.05 0.00 2.56 0.00 0.00 35.95 38.98 1b4c h PHE 70 CO 0.00 1.06 0.62 0.37 -2.02 0.00 0.00 178.31 178.34 1b4c h GLN 71 N 0.15 1.17 0.00 1.11 4.15 -1.99 0.74 115.11 120.43 1b4c h GLN 71 Ca -0.06 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.25 1b4c h GLN 71 Cb 1.57 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 1b4c h GLN 71 CO 0.15 0.77 -0.18 0.93 -1.93 0.00 0.00 178.83 178.57 1b4c h GLU 72 N 1.20 0.00 0.09 1.69 5.08 -1.92 -2.85 114.58 117.86 1b4c h GLU 72 Ca 0.37 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.47 1b4c h GLU 72 Cb -0.01 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.26 1b4c h GLU 72 CO -0.11 0.18 -1.06 0.35 -1.00 0.00 0.00 179.01 177.38 1b4c h PHE 73 N 0.00 0.89 0.00 4.33 3.57 -0.81 -2.12 116.94 122.81 1b4c h PHE 73 Ca -0.00 -0.55 -0.05 0.00 3.53 0.00 0.00 57.97 60.90 1b4c h PHE 73 Cb 0.71 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1b4c h PHE 73 CO 0.00 1.39 -0.25 1.98 -2.23 0.00 0.00 178.31 179.21 1b4c h MET 74 N 0.14 0.00 0.04 1.11 4.05 -1.05 -1.54 114.93 117.67 1b4c h MET 74 Ca -0.16 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1b4c h MET 74 Cb 1.76 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.56 1b4c h MET 74 CO 0.20 0.25 -0.02 0.00 0.23 0.00 0.00 176.91 177.57 1b4c h ALA 75 N 1.75 -0.05 -0.44 0.39 0.00 -1.49 -3.06 119.26 116.37 1b4c h ALA 75 Ca -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.60 1b4c h ALA 75 Cb 0.53 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1b4c h ALA 75 CO 0.03 -0.10 0.29 0.74 0.00 0.00 0.00 179.25 180.22 1b4c h PHE 76 N -0.91 0.49 -0.27 0.00 0.04 -1.32 -0.17 116.94 114.80 1b4c h PHE 76 Ca -0.00 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1b4c h PHE 76 Cb 0.68 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.65 1b4c h PHE 76 CO 0.17 0.30 -0.02 0.28 -0.60 0.00 0.00 178.31 178.44 1b4c h VAL 77 N 0.52 1.18 0.12 -0.55 2.07 -1.35 -2.92 116.25 115.32 1b4c h VAL 77 Ca 0.17 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1b4c h VAL 77 Cb 0.06 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 1b4c h VAL 77 CO -0.04 0.24 -0.06 0.77 0.02 0.00 0.00 177.57 178.50 1b4c h SER 78 N 0.40 -0.14 -1.00 0.57 4.64 -0.93 -2.54 113.55 114.56 1b4c h SER 78 Ca 0.09 -0.38 0.22 0.00 -0.47 0.00 0.00 61.79 61.24 1b4c h SER 78 Cb 0.30 0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 62.32 1b4c h SER 78 CO 0.01 0.36 0.62 0.24 -0.87 0.00 0.00 176.83 177.19 1b4c h MET 79 N -0.69 0.58 -0.00 4.77 2.07 -1.34 0.52 114.93 120.84 1b4c h MET 79 Ca -0.02 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1b4c h MET 79 Cb 0.52 -0.13 0.00 0.00 -1.87 0.00 0.00 31.60 30.12 1b4c h MET 79 CO 0.03 0.39 -0.00 0.28 1.07 0.00 0.00 176.91 178.67 1b4c h VAL 80 N 0.60 1.54 -0.84 -2.22 2.07 -1.52 0.13 116.25 116.01 1b4c h VAL 80 Ca 0.58 -1.59 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1b4c h VAL 80 Cb 1.13 2.62 -0.04 0.00 -1.52 0.00 0.00 31.29 33.48 1b4c h VAL 80 CO -0.35 0.41 0.55 0.74 0.02 0.00 0.00 177.57 178.94 1b4c h THR 81 N -0.67 1.22 0.00 2.57 2.02 -0.90 -0.79 112.91 116.36 1b4c h THR 81 Ca -0.00 -0.41 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1b4c h THR 81 Cb 0.68 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1b4c h THR 81 CO 0.00 0.21 -0.08 0.71 0.37 0.00 0.00 175.52 176.73 1b4c h THR 82 N 1.14 0.18 -0.24 3.16 1.35 -0.02 -2.93 112.91 115.55 1b4c h THR 82 Ca 0.31 -0.85 0.07 0.00 -0.55 0.00 0.00 66.41 65.39 1b4c h THR 82 Cb -0.12 1.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 1b4c h THR 82 CO -0.06 0.08 0.23 0.00 -0.25 0.00 0.00 175.52 175.51 1b4c h ALA 83 N 1.92 1.98 -2.40 6.62 0.00 0.81 -3.41 119.26 124.78 1b4c h ALA 83 Ca -0.00 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 1b4c h ALA 83 Cb 0.71 0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.56 1b4c h ALA 83 CO 0.01 -0.35 0.40 0.00 0.00 0.00 0.00 179.25 179.31 1b4c n HIS 85 N -1.07 -1.76 -1.52 0.00 1.44 -1.26 -4.44 115.22 106.61 1b4c n HIS 85 Ca 0.10 0.22 -0.39 0.00 -2.01 0.00 0.00 57.72 55.64 1b4c n HIS 85 Cb 0.52 -1.44 -0.11 0.00 0.12 0.00 0.00 29.99 29.09 1b4c n HIS 85 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1b4c n GLU 86 N -0.77 0.38 0.27 -1.40 0.28 -1.26 -4.71 120.64 113.42 1b4c n GLU 86 Ca 0.02 -0.01 0.13 0.00 -0.16 0.00 0.00 57.16 57.14 1b4c n GLU 86 Cb 0.49 -2.23 0.74 0.00 1.43 0.00 0.00 31.44 31.87 1b4c n GLU 86 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1b4c h PHE 87 N 14.81 0.00 -0.88 -1.84 -5.15 -1.93 -2.46 116.94 119.50 1b4c h PHE 87 Ca -0.12 0.00 0.14 0.00 -0.20 0.00 0.00 57.97 57.79 1b4c h PHE 87 Cb 1.29 0.00 -0.09 0.00 0.22 0.00 0.00 35.95 37.37 1b4c h PHE 87 CO 1.05 0.11 0.48 0.74 -2.00 0.00 0.00 178.31 178.69 1b4c h PHE 88 N 0.00 0.85 -2.10 6.09 0.04 -1.98 -1.88 116.94 117.96 1b4c h PHE 88 Ca -0.00 0.03 -0.76 0.00 2.80 0.00 0.00 57.97 60.04 1b4c h PHE 88 Cb 0.33 -0.25 -0.29 0.00 2.20 0.00 0.00 35.95 37.94 1b4c h PHE 88 CO 0.00 0.24 0.77 0.39 -0.60 0.00 0.00 178.31 179.11 1b4c n GLU 89 N -4.81 4.04 -0.82 1.51 1.02 -0.93 -4.91 120.64 115.75 1b4c n GLU 89 Ca 0.17 -4.22 -0.37 0.00 -0.02 0.00 0.00 57.16 52.72 1b4c n GLU 89 Cb 0.41 -2.35 -0.06 0.00 -0.02 0.00 0.00 31.44 29.42 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 -0.30 1.14 0.76 -0.32 -0.00 -0.71 -4.97 115.22 110.83 1b4c n HIS 90 Ca 0.48 -1.38 0.06 0.00 0.46 0.00 0.00 57.72 57.34 1b4c n HIS 90 Cb 0.29 -1.35 0.36 0.00 -0.12 0.00 0.00 29.99 29.17 1b4c n HIS 90 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19