#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 5.27 0.32 7.83 1.04 -1.26 -4.94 113.70 121.96 1b4c s SER 1 Ca 0.00 0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.68 1b4c s SER 1 Cb 0.00 -1.11 0.60 0.00 0.10 0.00 0.00 66.02 65.60 1b4c s SER 1 CO 0.00 -1.19 1.94 -0.08 0.98 0.00 0.00 173.24 174.89 1b4c h GLU 2 N -0.08 0.91 -0.93 4.02 4.57 -2.06 -1.07 114.58 119.94 1b4c h GLU 2 Ca -0.44 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 1b4c h GLU 2 Cb 1.29 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 1b4c h GLU 2 CO 0.56 0.60 0.54 1.25 -1.18 0.00 0.00 179.01 180.79 1b4c h LEU 3 N 0.94 1.14 -0.31 1.64 6.46 -2.00 -2.38 115.31 120.80 1b4c h LEU 3 Ca 0.35 -0.08 0.04 0.00 -0.12 0.00 0.00 57.88 58.07 1b4c h LEU 3 Cb 0.17 -0.29 -0.04 0.00 -0.73 0.00 0.00 40.66 39.78 1b4c h LEU 3 CO -0.12 0.89 0.07 -0.08 -0.62 0.00 0.00 178.44 178.58 1b4c h GLU 4 N 1.30 0.18 -0.92 1.25 4.81 -1.56 0.18 114.58 119.80 1b4c h GLU 4 Ca 0.33 -0.01 0.23 0.00 -0.13 0.00 0.00 59.36 59.78 1b4c h GLU 4 Cb -0.02 -0.04 -0.13 0.00 0.63 0.00 0.00 28.75 29.19 1b4c h GLU 4 CO -0.06 0.12 0.44 0.87 -0.73 0.00 0.00 179.01 179.65 1b4c h LYS 5 N 0.18 0.42 0.04 1.92 1.79 -1.21 0.93 116.57 120.64 1b4c h LYS 5 Ca 0.14 -0.03 -0.23 0.00 -2.18 0.00 0.00 60.65 58.36 1b4c h LYS 5 Cb 0.15 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1b4c h LYS 5 CO -0.19 0.28 -1.05 0.00 -1.08 0.00 0.00 179.45 177.42 1b4c h ALA 6 N 1.72 0.31 -0.95 3.86 0.00 -1.05 -2.93 119.26 120.21 1b4c h ALA 6 Ca 0.58 -0.86 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1b4c h ALA 6 Cb 1.12 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1b4c h ALA 6 CO -0.52 1.09 0.63 1.98 0.00 0.00 0.00 179.25 182.43 1b4c h MET 7 N 0.04 1.22 -0.16 0.00 -1.53 0.18 -0.69 114.93 113.99 1b4c h MET 7 Ca -0.06 -0.07 -0.15 0.00 -3.44 0.00 0.00 59.70 55.98 1b4c h MET 7 Cb 1.77 -0.27 -0.01 0.00 -0.55 0.00 0.00 31.60 32.54 1b4c h MET 7 CO 0.15 0.80 -0.53 0.28 0.14 0.00 0.00 176.91 177.76 1b4c h VAL 8 N 1.25 1.33 -0.01 -5.77 2.07 -1.46 -3.10 116.25 110.56 1b4c h VAL 8 Ca 0.36 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.10 1b4c h VAL 8 Cb -0.08 1.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1b4c h VAL 8 CO -0.10 0.55 0.00 0.00 0.02 0.00 0.00 177.57 178.05 1b4c h ALA 9 N 1.07 0.01 -0.08 1.67 0.00 -1.06 -2.03 119.26 118.83 1b4c h ALA 9 Ca 0.01 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1b4c h ALA 9 Cb 1.05 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 1b4c h ALA 9 CO 0.10 -0.47 -0.36 -0.07 0.00 0.00 0.00 179.25 178.45 1b4c h LEU 10 N -0.03 -1.09 -1.25 0.00 4.07 -1.15 -1.10 115.31 114.76 1b4c h LEU 10 Ca 0.00 0.15 0.09 0.00 0.08 0.00 0.00 57.88 58.20 1b4c h LEU 10 Cb 0.04 0.45 -0.06 0.00 1.08 0.00 0.00 40.66 42.17 1b4c h LEU 10 CO -0.00 -0.39 0.56 0.40 -1.08 0.00 0.00 178.44 177.92 1b4c h ILE 11 N -0.46 0.97 -0.24 1.22 2.04 -1.46 -1.68 117.51 117.90 1b4c h ILE 11 Ca 0.08 -0.29 -0.14 0.00 1.00 0.00 0.00 64.86 65.51 1b4c h ILE 11 Cb 0.58 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1b4c h ILE 11 CO -0.34 0.15 -0.44 0.44 0.00 0.00 0.00 178.15 177.97 1b4c h ASP 12 N 0.84 0.65 0.12 1.72 3.32 -0.49 -2.62 116.42 119.96 1b4c h ASP 12 Ca 0.39 -0.30 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 1b4c h ASP 12 Cb 0.41 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1b4c h ASP 12 CO -0.16 1.00 -0.61 0.58 -1.72 0.00 0.00 179.24 178.33 1b4c h VAL 13 N 0.49 1.34 -0.34 -1.35 2.07 -0.45 -1.41 116.25 116.60 1b4c h VAL 13 Ca 0.03 -1.90 -0.03 0.00 0.82 0.00 0.00 66.70 65.62 1b4c h VAL 13 Cb 0.96 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1b4c h VAL 13 CO 0.09 0.58 0.09 0.15 0.02 0.00 0.00 177.57 178.50 1b4c h PHE 14 N 0.36 0.50 -0.00 1.57 3.04 -1.24 -1.39 116.94 119.78 1b4c h PHE 14 Ca -0.01 -0.03 -0.16 0.00 3.98 0.00 0.00 57.97 61.76 1b4c h PHE 14 Cb 1.15 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.49 1b4c h PHE 14 CO 0.04 0.44 -0.76 1.25 -2.02 0.00 0.00 178.31 177.26 1b4c h HIS 15 N 0.49 0.01 -0.71 0.41 2.76 -1.14 -3.14 115.15 113.83 1b4c h HIS 15 Ca 0.12 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.36 1b4c h HIS 15 Cb 0.19 -0.00 -0.07 0.00 1.55 0.00 0.00 27.41 29.08 1b4c h HIS 15 CO 0.01 0.76 0.37 0.37 -1.30 0.00 0.00 177.93 178.14 1b4c h GLN 16 N 0.01 0.63 -0.08 5.26 4.15 -0.13 -1.50 115.11 123.45 1b4c h GLN 16 Ca -0.01 -0.04 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 1b4c h GLN 16 Cb 1.34 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.89 1b4c h GLN 16 CO 0.10 0.42 -0.20 1.88 -1.93 0.00 0.00 178.83 179.10 1b4c h TYR 17 N 0.65 0.35 -2.12 3.99 -1.99 -1.56 -3.31 116.97 112.98 1b4c h TYR 17 Ca 0.34 -0.13 -0.80 0.00 2.00 0.00 0.00 58.73 60.14 1b4c h TYR 17 Cb 0.32 -0.06 -0.25 0.00 2.00 0.00 0.00 36.73 38.74 1b4c h TYR 17 CO -0.09 0.81 1.24 0.45 -0.00 0.00 0.00 178.16 180.56 1b4c n SER 18 N -4.55 7.39 -0.00 3.88 2.88 -0.95 -4.36 113.62 117.92 1b4c n SER 18 Ca -0.08 -3.59 0.01 0.00 -1.33 0.00 0.00 58.87 53.88 1b4c n SER 18 Cb 0.41 -1.21 -0.01 0.00 -0.75 0.00 0.00 64.21 62.66 1b4c n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1b4c n GLY 19 N 0.32 0.53 0.23 0.46 0.00 -0.61 -3.86 105.19 102.26 1b4c n GLY 19 Ca 0.48 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.52 1b4c n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1b4c h ARG 20 N 0.00 0.00 0.00 1.61 2.43 -1.85 -3.41 114.38 113.17 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 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1b4c h ARG 20 CO 0.00 0.14 0.00 0.39 -1.51 0.00 0.00 179.97 178.99 1b4c n GLU 21 N -4.36 0.00 -0.63 0.20 1.02 -1.26 -4.98 120.64 110.63 1b4c n GLU 21 Ca -0.03 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.09 1b4c n GLU 21 Cb 0.21 -0.14 -0.01 0.00 -0.02 0.00 0.00 31.44 31.49 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 0.22 0.22 0.32 0.62 0.00 -1.25 -4.72 105.19 100.59 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 -0.98 -2.17 1.61 5.19 -1.93 -3.41 116.42 114.74 1b4c h ASP 23 Ca -0.05 0.18 -0.47 0.00 -0.62 0.00 0.00 57.03 56.07 1b4c h ASP 23 Cb 0.45 0.46 0.09 0.00 0.18 0.00 0.00 39.33 40.51 1b4c h ASP 23 CO 0.07 -0.31 0.12 -0.54 -3.12 0.00 0.00 179.24 175.47 1b4c s LYS 24 N -6.03 1.58 -0.36 3.56 1.02 -1.26 -5.03 119.74 113.21 1b4c s LYS 24 Ca -0.15 -1.12 0.11 0.00 0.02 0.00 0.00 55.97 54.83 1b4c s LYS 24 Cb 0.13 -2.31 0.45 0.00 -0.52 0.00 0.00 37.83 35.59 1b4c s LYS 24 CO 0.68 -1.53 1.08 -2.39 -0.92 0.00 0.00 175.35 172.26 1b4c n HIS 25 N -2.90 2.38 -4.12 3.18 1.44 -1.26 -5.06 115.22 108.89 1b4c n HIS 25 Ca 0.16 -2.76 -0.14 0.00 -2.01 0.00 0.00 57.72 52.97 1b4c n HIS 25 Cb 0.61 -0.23 -0.11 0.00 0.12 0.00 0.00 29.99 30.37 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 -3.46 0.68 0.02 -1.40 1.02 -1.26 -4.72 119.74 110.62 1b4c s LYS 26 Ca 0.40 -0.94 0.06 0.00 0.02 0.00 0.00 55.97 55.51 1b4c s LYS 26 Cb 0.41 -0.43 -0.02 0.00 -0.52 0.00 0.00 37.83 37.27 1b4c s LYS 26 CO -0.07 0.07 -0.18 -1.17 -0.92 0.00 0.00 175.35 173.09 1b4c s LEU 27 N -1.95 2.12 0.25 3.17 2.96 0.14 -4.94 118.68 120.43 1b4c s LEU 27 Ca -0.03 -0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1b4c s LEU 27 Cb -0.07 -0.86 -0.04 0.00 0.50 0.00 0.00 46.19 45.72 1b4c s LEU 27 CO 0.00 0.15 0.45 -0.54 -1.32 0.00 0.00 176.35 175.09 1b4c s LYS 28 N -0.91 3.53 0.31 1.98 1.02 -1.26 0.21 119.74 124.63 1b4c s LYS 28 Ca 0.06 -0.29 -0.01 0.00 0.02 0.00 0.00 55.97 55.75 1b4c s LYS 28 Cb -0.08 -2.77 0.49 0.00 -0.52 0.00 0.00 37.83 34.95 1b4c s LYS 28 CO 0.01 0.32 1.95 1.57 -0.92 0.00 0.00 175.35 178.28 1b4c h LYS 29 N 1.66 0.97 -0.81 1.68 -0.00 -1.90 -0.39 116.57 117.77 1b4c h LYS 29 Ca -0.48 -0.08 0.01 0.00 -0.00 0.00 0.00 60.65 60.09 1b4c h LYS 29 Cb 1.20 -0.21 -0.04 0.00 -0.00 0.00 0.00 32.23 33.18 1b4c h LYS 29 CO 0.66 0.68 0.53 1.03 -0.00 0.00 0.00 179.45 182.35 1b4c h SER 30 N 0.99 0.94 0.68 7.07 0.87 -1.94 0.20 113.55 122.36 1b4c h SER 30 Ca 0.26 -0.03 -0.25 0.00 -1.23 0.00 0.00 61.79 60.53 1b4c h SER 30 Cb -0.04 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1b4c h SER 30 CO -0.05 0.69 -1.15 -0.08 -0.53 0.00 0.00 176.83 175.72 1b4c h GLU 31 N 1.11 0.22 -0.33 2.24 4.81 -1.86 -3.21 114.58 117.55 1b4c h GLU 31 Ca 0.30 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1b4c h GLU 31 Cb -0.11 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1b4c h GLU 31 CO -0.06 1.15 0.14 1.25 -0.73 0.00 0.00 179.01 180.76 1b4c h LEU 32 N 0.07 0.45 0.04 1.64 6.46 -0.67 -2.60 115.31 120.71 1b4c h LEU 32 Ca -0.10 -0.15 0.03 0.00 -0.12 0.00 0.00 57.88 57.53 1b4c h LEU 32 Cb 1.87 -0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 41.63 1b4c h LEU 32 CO 0.18 0.48 -0.39 0.50 -0.62 0.00 0.00 178.44 178.60 1b4c h LYS 33 N 0.40 -0.55 -1.09 1.25 3.64 -0.66 0.27 116.57 119.82 1b4c h LYS 33 Ca 0.11 0.04 0.30 0.00 -1.27 0.00 0.00 60.65 59.83 1b4c h LYS 33 Cb 0.16 0.13 -0.09 0.00 -0.41 0.00 0.00 32.23 32.02 1b4c h LYS 33 CO -0.01 -0.37 0.72 0.93 -2.27 0.00 0.00 179.45 178.45 1b4c h GLU 34 N -0.57 0.28 -0.43 1.90 4.39 -1.52 0.72 114.58 119.35 1b4c h GLU 34 Ca 0.04 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.63 1b4c h GLU 34 Cb 0.63 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1b4c h GLU 34 CO -0.28 0.19 -0.11 -0.07 -1.16 0.00 0.00 179.01 177.58 1b4c h LEU 35 N 0.29 0.84 -1.45 1.33 3.38 -0.15 -2.54 115.31 117.01 1b4c h LEU 35 Ca 0.62 -0.37 0.13 0.00 0.09 0.00 0.00 57.88 58.35 1b4c h LEU 35 Cb 1.75 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 42.22 1b4c h LEU 35 CO -0.27 1.01 0.52 0.40 0.09 0.00 0.00 178.44 180.20 1b4c h ILE 36 N 0.66 0.84 -0.23 1.22 1.08 0.20 2.51 117.51 123.79 1b4c h ILE 36 Ca 0.11 -0.19 -0.07 0.00 -0.39 0.00 0.00 64.86 64.32 1b4c h ILE 36 Cb 0.65 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1b4c h ILE 36 CO 0.04 0.10 -0.18 0.78 -0.69 0.00 0.00 178.15 178.21 1b4c h ASN 37 N 0.55 0.38 -0.00 1.72 4.21 -0.98 -2.66 115.58 118.80 1b4c h ASN 37 Ca 0.39 -0.10 0.00 0.00 1.21 0.00 0.00 56.30 57.79 1b4c h ASN 37 Cb 0.72 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.82 1b4c h ASN 37 CO -0.15 0.58 -0.32 0.59 -1.29 0.00 0.00 177.43 176.84 1b4c n ASN 38 N -4.19 0.61 -0.04 5.81 5.03 -0.16 -4.05 115.26 118.28 1b4c n ASN 38 Ca -0.00 -0.80 -0.11 0.00 0.87 0.00 0.00 54.58 54.54 1b4c n ASN 38 Cb 0.34 0.84 -0.14 0.00 -1.02 0.00 0.00 39.78 39.79 1b4c n ASN 38 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1b4c n GLU 39 N -0.92 0.66 -1.93 3.52 4.07 0.83 -4.40 120.64 122.47 1b4c n GLU 39 Ca 0.02 0.23 -0.10 0.00 -0.06 0.00 0.00 57.16 57.25 1b4c n GLU 39 Cb 0.14 -1.72 0.06 0.00 -0.06 0.00 0.00 31.44 29.86 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 -3.06 3.32 0.17 4.31 4.77 -1.01 -4.80 117.00 120.71 1b4c n LEU 40 Ca -0.23 -3.91 0.02 0.00 -0.03 0.00 0.00 56.01 51.87 1b4c n LEU 40 Cb 1.07 -0.13 0.27 0.00 -2.33 0.00 0.00 43.42 42.30 1b4c n LEU 40 CO 0.44 1.56 0.61 0.77 -1.33 0.00 0.00 177.39 179.44 1b4c h SER 41 N 1.97 0.00 0.04 -1.43 4.64 -1.71 -2.55 113.55 114.52 1b4c h SER 41 Ca 0.12 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1b4c h SER 41 Cb 1.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 1b4c h SER 41 CO 0.42 0.48 -0.02 -0.74 -0.87 0.00 0.00 176.83 176.10 1b4c h HIS 42 N 0.00 -0.05 0.00 4.77 -0.00 -1.92 -3.11 115.15 114.84 1b4c h HIS 42 Ca -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1b4c h HIS 42 Cb 0.95 0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.38 1b4c h HIS 42 CO 0.00 0.59 -0.01 0.74 -0.00 0.00 0.00 177.93 179.25 1b4c h PHE 43 N -0.76 0.00 -0.77 5.26 -1.00 -1.93 -2.77 116.94 114.96 1b4c h PHE 43 Ca -0.01 0.00 0.18 0.00 2.81 0.00 0.00 57.97 60.95 1b4c h PHE 43 Cb 0.66 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.10 1b4c h PHE 43 CO 0.15 0.01 0.17 1.25 -1.61 0.00 0.00 178.31 178.28 1b4c h LEU 44 N 0.00 -0.04 -1.16 1.54 7.12 -1.38 0.32 115.31 121.71 1b4c h LEU 44 Ca -0.00 0.17 -0.02 0.00 0.13 0.00 0.00 57.88 58.16 1b4c h LEU 44 Cb 0.15 0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.48 1b4c h LEU 44 CO 0.00 -0.09 0.32 -0.08 -0.13 0.00 0.00 178.44 178.47 1b4c h GLU 45 N 0.23 0.91 -2.87 1.25 4.81 -1.65 -3.15 114.58 114.11 1b4c h GLU 45 Ca 0.45 -0.11 -0.74 0.00 -0.13 0.00 0.00 59.36 58.83 1b4c h GLU 45 Cb 0.81 -0.18 -0.11 0.00 0.63 0.00 0.00 28.75 29.90 1b4c h GLU 45 CO -0.57 0.69 2.48 0.39 -0.73 0.00 0.00 179.01 181.28 1b4c n GLU 46 N -4.36 4.28 -4.00 1.92 -0.58 0.11 -4.89 120.64 113.13 1b4c n GLU 46 Ca 0.06 -3.34 -0.30 0.00 -0.42 0.00 0.00 57.16 53.15 1b4c n GLU 46 Cb 0.12 -2.72 -0.16 0.00 -0.57 0.00 0.00 31.44 28.11 1b4c n GLU 46 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1b4c s ILE 47 N -0.44 1.60 -0.19 -3.67 -1.09 -1.19 -4.14 121.20 112.07 1b4c s ILE 47 Ca 0.52 -0.86 -0.15 0.00 -2.23 0.00 0.00 60.65 57.93 1b4c s ILE 47 Cb 0.16 -1.62 -0.08 0.00 -1.58 0.00 0.00 42.46 39.35 1b4c s ILE 47 CO -0.07 0.27 -0.22 0.29 -1.23 0.00 0.00 174.94 173.98 1b4c n LYS 48 N 4.72 0.52 -2.62 2.79 5.02 -1.26 -4.81 118.16 122.52 1b4c n LYS 48 Ca -0.15 0.38 -0.43 0.00 -2.02 0.00 0.00 58.31 56.09 1b4c n LYS 48 Cb 0.48 -1.57 -0.02 0.00 -0.02 0.00 0.00 35.03 33.89 1b4c n LYS 48 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1b4c s GLU 49 N -2.55 3.57 0.35 1.97 2.56 -1.26 -4.86 118.70 118.48 1b4c s GLU 49 Ca -0.26 0.31 0.21 0.00 0.00 0.00 0.00 54.97 55.23 1b4c s GLU 49 Cb 0.05 -3.98 0.20 0.00 2.00 0.00 0.00 34.13 32.41 1b4c s GLU 49 CO 0.39 -1.54 1.44 0.37 -0.56 0.00 0.00 175.26 175.35 1b4c h GLN 50 N 9.40 0.00 0.00 4.30 4.15 -1.98 -3.28 115.11 127.70 1b4c h GLN 50 Ca -0.24 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.13 1b4c h GLN 50 Cb 1.06 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 1b4c h GLN 50 CO 1.15 0.11 -0.23 0.93 -1.93 0.00 0.00 178.83 178.87 1b4c h GLU 51 N 0.00 0.00 -0.00 1.69 4.39 -1.99 -0.94 114.58 117.73 1b4c h GLU 51 Ca -0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1b4c h GLU 51 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1b4c h GLU 51 CO 0.02 0.23 -0.12 0.28 -1.16 0.00 0.00 179.01 178.25 1b4c h VAL 52 N 0.00 1.58 -0.25 3.13 2.07 -1.98 -2.75 116.25 118.05 1b4c h VAL 52 Ca -0.00 -1.86 -0.04 0.00 0.82 0.00 0.00 66.70 65.62 1b4c h VAL 52 Cb 0.77 2.79 -0.01 0.00 -1.52 0.00 0.00 31.29 33.32 1b4c h VAL 52 CO 0.03 0.50 -0.03 0.58 0.02 0.00 0.00 177.57 178.67 1b4c h VAL 53 N -0.63 1.17 -0.35 2.57 2.07 -1.67 -2.48 116.25 116.94 1b4c h VAL 53 Ca -0.01 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.82 1b4c h VAL 53 Cb 0.88 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1b4c h VAL 53 CO 0.02 0.23 0.21 -0.78 0.02 0.00 0.00 177.57 177.28 1b4c h ASP 54 N 0.37 0.35 0.46 0.57 1.82 -1.14 -1.68 116.42 117.17 1b4c h ASP 54 Ca 0.08 -0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.67 1b4c h ASP 54 Cb 0.30 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.22 1b4c h ASP 54 CO 0.01 0.26 -0.23 0.50 -1.61 0.00 0.00 179.24 178.16 1b4c h LYS 55 N 0.44 0.00 0.47 0.28 3.64 -1.14 -2.57 116.57 117.68 1b4c h LYS 55 Ca 0.14 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 1b4c h LYS 55 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1b4c h LYS 55 CO -0.05 0.23 -0.23 0.28 -2.27 0.00 0.00 179.45 177.41 1b4c h VAL 56 N 0.00 0.45 -0.60 2.00 2.07 -0.97 1.12 116.25 120.32 1b4c h VAL 56 Ca -0.00 -0.41 0.17 0.00 0.82 0.00 0.00 66.70 67.28 1b4c h VAL 56 Cb 0.52 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1b4c h VAL 56 CO 0.03 0.06 0.53 0.24 0.02 0.00 0.00 177.57 178.45 1b4c h MET 57 N -0.90 0.00 0.08 1.57 2.86 -1.20 0.45 114.93 117.78 1b4c h MET 57 Ca -0.06 0.00 -0.31 0.00 -2.06 0.00 0.00 59.70 57.27 1b4c h MET 57 Cb 0.58 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 1b4c h MET 57 CO 0.11 0.00 -1.64 1.49 1.06 0.00 0.00 176.91 177.93 1b4c h GLU 58 N 0.00 0.16 -0.20 1.72 4.81 -1.00 -2.63 114.58 117.43 1b4c h GLU 58 Ca 0.28 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1b4c h GLU 58 Cb 1.34 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1b4c h GLU 58 CO -0.00 0.94 -0.05 1.15 -0.73 0.00 0.00 179.01 180.32 1b4c h THR 59 N 0.04 1.28 0.63 0.32 2.02 0.52 0.11 112.91 117.84 1b4c h THR 59 Ca -0.27 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 65.85 1b4c h THR 59 Cb 2.00 1.55 0.01 0.00 -1.74 0.00 0.00 68.15 69.96 1b4c h THR 59 CO 0.12 0.31 -0.30 -0.07 0.37 0.00 0.00 175.52 175.95 1b4c h LEU 60 N 0.11 -0.72 -2.00 2.58 3.38 -0.46 -1.38 115.31 116.83 1b4c h LEU 60 Ca 0.05 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1b4c h LEU 60 Cb 0.49 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1b4c h LEU 60 CO 0.02 -0.46 0.39 -0.78 0.09 0.00 0.00 178.44 177.70 1b4c h ASP 61 N -0.93 0.00 -1.07 -0.43 3.58 -1.43 0.11 116.42 116.25 1b4c h ASP 61 Ca -0.09 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.68 1b4c h ASP 61 Cb 0.68 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.44 1b4c h ASP 61 CO 0.14 0.00 0.89 -0.62 -2.88 0.00 0.00 179.24 176.77 1b4c n GLU 62 N -3.41 2.69 -0.43 0.28 1.02 0.36 -4.67 120.64 116.48 1b4c n GLU 62 Ca 0.03 -3.30 0.36 0.00 -0.02 0.00 0.00 57.16 54.23 1b4c n GLU 62 Cb 0.51 -2.29 0.67 0.00 -0.02 0.00 0.00 31.44 30.31 1b4c n GLU 62 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1b4c h ASP 63 N 2.08 0.20 0.00 1.62 2.03 -0.65 -3.43 116.42 118.26 1b4c h ASP 63 Ca 0.61 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.98 1b4c h ASP 63 Cb 0.75 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 1b4c h ASP 63 CO 1.58 -0.05 0.00 0.61 -1.03 0.00 0.00 179.24 180.35 1b4c n GLY 64 N -1.63 0.00 0.07 7.15 0.00 -1.26 -4.47 105.19 105.05 1b4c n GLY 64 Ca 0.33 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 1.92 0.00 1.61 5.68 -1.26 -5.02 116.55 119.48 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 0.67 0.00 0.00 -1.14 0.00 0.00 41.12 40.65 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 2.27 2.76 3.12 6.12 0.00 -1.26 -5.01 105.19 113.18 1b4c n GLY 66 Ca -0.22 0.00 -0.12 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 -0.34 0.27 -0.23 1.61 2.02 -1.26 -4.89 118.70 115.87 1b4c s GLU 67 Ca 0.00 0.59 -0.09 0.00 0.02 0.00 0.00 54.97 55.49 1b4c s GLU 67 Cb 0.00 -0.08 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 1b4c s GLU 67 CO 0.00 -0.15 0.12 0.00 0.02 0.00 0.00 175.26 175.25 1b4c n ASP 69 N 4.24 0.19 0.10 0.00 2.03 -1.26 0.27 116.55 122.13 1b4c n ASP 69 Ca -0.15 -1.36 -0.04 0.00 0.52 0.00 0.00 54.79 53.75 1b4c n ASP 69 Cb 0.52 -0.58 0.05 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.30 0.04 -0.63 -0.67 3.04 -1.94 -3.01 116.94 112.47 1b4c h PHE 70 Ca -0.25 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 61.66 1b4c h PHE 70 Cb 0.72 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.20 1b4c h PHE 70 CO 0.00 0.79 0.30 0.37 -2.02 0.00 0.00 178.31 177.74 1b4c h GLN 71 N 0.02 0.89 0.00 1.11 4.15 -1.99 -0.99 115.11 118.29 1b4c h GLN 71 Ca -0.01 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 1b4c h GLN 71 Cb 1.37 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 1b4c h GLN 71 CO 0.10 0.70 -0.30 0.93 -1.93 0.00 0.00 178.83 178.33 1b4c h GLU 72 N 0.89 0.00 -0.09 1.69 5.08 -1.90 -2.87 114.58 117.38 1b4c h GLU 72 Ca 0.22 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.39 1b4c h GLU 72 Cb 0.10 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1b4c h GLU 72 CO -0.03 0.30 -0.68 0.35 -1.00 0.00 0.00 179.01 177.95 1b4c h PHE 73 N 0.00 0.85 -0.14 4.33 3.57 -1.09 -2.64 116.94 121.82 1b4c h PHE 73 Ca -0.00 -0.40 -0.01 0.00 3.53 0.00 0.00 57.97 61.09 1b4c h PHE 73 Cb 0.86 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1b4c h PHE 73 CO 0.00 1.21 0.06 1.98 -2.23 0.00 0.00 178.31 179.33 1b4c h MET 74 N 0.26 0.21 -0.83 1.11 4.05 -1.25 -0.85 114.93 117.63 1b4c h MET 74 Ca -0.06 -0.04 0.14 0.00 -0.28 0.00 0.00 59.70 59.47 1b4c h MET 74 Cb 1.33 -0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 32.00 1b4c h MET 74 CO 0.14 0.30 0.42 0.00 0.23 0.00 0.00 176.91 178.00 1b4c h ALA 75 N 0.90 1.24 -0.09 0.39 0.00 -1.52 0.86 119.26 121.03 1b4c h ALA 75 Ca 0.05 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1b4c h ALA 75 Cb 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1b4c h ALA 75 CO -0.00 -0.10 -0.47 0.74 0.00 0.00 0.00 179.25 179.42 1b4c h PHE 76 N 0.61 0.28 -0.28 0.00 0.04 -1.08 -2.48 116.94 114.03 1b4c h PHE 76 Ca 0.45 -0.08 -0.11 0.00 2.80 0.00 0.00 57.97 61.03 1b4c h PHE 76 Cb 0.64 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1b4c h PHE 76 CO -0.10 0.66 -0.27 0.28 -0.60 0.00 0.00 178.31 178.28 1b4c h VAL 77 N 0.19 1.27 0.20 -0.55 2.07 0.54 -2.47 116.25 117.50 1b4c h VAL 77 Ca 0.01 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 1b4c h VAL 77 Cb 0.90 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1b4c h VAL 77 CO 0.07 0.43 -0.09 0.77 0.02 0.00 0.00 177.57 178.77 1b4c h SER 78 N 0.48 -0.22 -0.23 0.57 4.64 -0.85 -2.12 113.55 115.82 1b4c h SER 78 Ca 0.07 -0.31 0.06 0.00 -0.47 0.00 0.00 61.79 61.13 1b4c h SER 78 Cb 0.72 0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 62.81 1b4c h SER 78 CO 0.06 0.27 -0.15 0.24 -0.87 0.00 0.00 176.83 176.38 1b4c h MET 79 N -0.81 -0.13 -0.64 4.77 2.07 -1.47 0.49 114.93 119.20 1b4c h MET 79 Ca -0.03 0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.62 1b4c h MET 79 Cb 0.52 0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.24 1b4c h MET 79 CO 0.04 -0.09 0.42 0.28 1.07 0.00 0.00 176.91 178.64 1b4c h VAL 80 N -0.14 1.16 -0.44 -2.22 2.07 -1.53 -2.10 116.25 113.05 1b4c h VAL 80 Ca 0.13 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.22 1b4c h VAL 80 Cb 0.33 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1b4c h VAL 80 CO -0.31 0.16 -0.24 0.71 0.02 0.00 0.00 177.57 177.91 1b4c h THR 81 N 0.86 1.27 -0.06 2.57 1.35 -0.65 -3.07 112.91 115.18 1b4c h THR 81 Ca 0.24 -1.40 0.02 0.00 -0.55 0.00 0.00 66.41 64.72 1b4c h THR 81 Cb -0.09 1.22 -0.03 0.00 -1.73 0.00 0.00 68.15 67.53 1b4c h THR 81 CO -0.06 0.47 -0.09 0.71 -0.25 0.00 0.00 175.52 176.31 1b4c h THR 82 N 0.77 0.76 -0.63 6.82 1.35 0.33 -0.64 112.91 121.68 1b4c h THR 82 Ca 0.09 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.13 1b4c h THR 82 Cb 0.81 0.76 -0.03 0.00 -1.73 0.00 0.00 68.15 67.97 1b4c h THR 82 CO 0.07 0.00 0.45 0.00 -0.25 0.00 0.00 175.52 175.79 1b4c h ALA 83 N 0.91 2.54 -1.65 6.62 0.00 -1.36 -3.36 119.26 122.97 1b4c h ALA 83 Ca 0.05 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.39 1b4c h ALA 83 Cb 0.19 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1b4c h ALA 83 CO -0.13 -0.72 1.06 0.00 0.00 0.00 0.00 179.25 179.46 1b4c n HIS 85 N 9.04 0.00 -0.98 0.00 1.44 -1.26 -4.15 115.22 119.31 1b4c n HIS 85 Ca 0.13 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.83 1b4c n HIS 85 Cb 0.49 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.60 1b4c n HIS 85 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1b4c n GLU 86 N 0.00 -1.98 0.20 -1.40 2.13 -1.26 -4.81 120.64 113.51 1b4c n GLU 86 Ca 0.00 0.50 -0.10 0.00 0.66 0.00 0.00 57.16 58.23 1b4c n GLU 86 Cb 0.00 -4.92 -0.05 0.00 0.27 0.00 0.00 31.44 26.74 1b4c n GLU 86 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1b4c h PHE 87 N 0.00 -0.53 0.01 4.31 3.04 -1.94 -3.35 116.94 118.48 1b4c h PHE 87 Ca -0.01 -0.01 -0.40 0.00 3.98 0.00 0.00 57.97 61.53 1b4c h PHE 87 Cb 0.97 0.17 -0.06 0.00 2.56 0.00 0.00 35.95 39.59 1b4c h PHE 87 CO 0.60 -0.30 -2.41 1.19 -2.02 0.00 0.00 178.31 175.38 1b4c n PHE 88 N -5.16 0.16 -1.98 0.41 3.72 -1.26 -4.53 117.46 108.82 1b4c n PHE 88 Ca -0.08 0.04 -0.41 0.00 -0.05 0.00 0.00 57.45 56.95 1b4c n PHE 88 Cb 0.24 -1.02 -0.00 0.00 -0.94 0.00 0.00 39.48 37.76 1b4c n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1b4c n GLU 89 N -3.49 3.80 -2.32 -1.08 1.02 -1.26 -4.89 120.64 112.41 1b4c n GLU 89 Ca -0.46 -3.16 -0.35 0.00 -0.02 0.00 0.00 57.16 53.18 1b4c n GLU 89 Cb 0.97 -2.88 -0.04 0.00 -0.02 0.00 0.00 31.44 29.48 1b4c n GLU 89 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1b4c s HIS 90 N 0.65 2.27 -2.00 -0.32 2.46 -1.26 -4.42 115.29 112.67 1b4c s HIS 90 Ca 0.50 -0.34 0.01 0.00 0.47 0.00 0.00 55.06 55.69 1b4c s HIS 90 Cb 0.14 -4.38 0.03 0.00 -0.13 0.00 0.00 32.58 28.24 1b4c s HIS 90 CO -0.05 -1.69 0.53 -0.85 -2.47 0.00 0.00 174.74 170.21