#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4c s SER 1 N 0.00 1.77 0.38 6.12 1.04 -1.26 -4.79 113.70 116.96 1b4c s SER 1 Ca 0.00 1.31 0.08 0.00 0.48 0.00 0.00 55.95 57.82 1b4c s SER 1 Cb 0.00 -2.04 0.82 0.00 0.10 0.00 0.00 66.02 64.90 1b4c s SER 1 CO 0.00 -3.68 1.97 -0.33 0.98 0.00 0.00 173.24 172.18 1b4c h GLU 2 N -2.27 0.63 0.23 4.02 3.07 -2.07 -2.36 114.58 115.84 1b4c h GLU 2 Ca -0.58 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.23 1b4c h GLU 2 Cb 1.33 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1b4c h GLU 2 CO 0.55 0.42 -0.11 1.25 -1.40 0.00 0.00 179.01 179.72 1b4c h LEU 3 N 0.65 -0.26 -0.72 1.33 6.46 -2.00 -2.64 115.31 118.12 1b4c h LEU 3 Ca 0.29 -0.01 0.15 0.00 -0.12 0.00 0.00 57.88 58.19 1b4c h LEU 3 Cb 0.30 0.07 -0.10 0.00 -0.73 0.00 0.00 40.66 40.19 1b4c h LEU 3 CO -0.09 -0.17 0.19 -0.33 -0.62 0.00 0.00 178.44 177.43 1b4c h GLU 4 N -0.33 0.29 -0.81 1.25 5.08 -1.76 0.20 114.58 118.50 1b4c h GLU 4 Ca -0.03 -0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.50 1b4c h GLU 4 Cb 0.25 -0.07 -0.12 0.00 0.50 0.00 0.00 28.75 29.32 1b4c h GLU 4 CO 0.05 0.19 0.27 -0.22 -1.00 0.00 0.00 179.01 178.31 1b4c h LYS 5 N 0.30 0.32 0.00 2.33 1.63 -1.30 0.82 116.57 120.67 1b4c h LYS 5 Ca 0.41 -0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 60.02 1b4c h LYS 5 Cb 0.67 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 1b4c h LYS 5 CO -0.48 0.21 -0.80 0.00 -3.45 0.00 0.00 179.45 174.94 1b4c h ALA 6 N 1.66 0.56 -0.30 5.00 0.00 -0.57 -2.69 119.26 122.92 1b4c h ALA 6 Ca 0.48 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1b4c h ALA 6 Cb 0.86 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1b4c h ALA 6 CO -0.52 1.00 0.16 1.98 0.00 0.00 0.00 179.25 181.87 1b4c h MET 7 N 0.00 0.42 -0.19 0.00 1.85 0.12 -1.69 114.93 115.45 1b4c h MET 7 Ca -0.01 -0.05 -0.14 0.00 -0.61 0.00 0.00 59.70 58.90 1b4c h MET 7 Cb 1.53 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 33.46 1b4c h MET 7 CO 0.10 0.36 -0.47 0.28 -0.40 0.00 0.00 176.91 176.78 1b4c h VAL 8 N 0.37 1.32 -0.04 -5.77 2.07 -1.44 -3.15 116.25 109.60 1b4c h VAL 8 Ca 0.11 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1b4c h VAL 8 Cb 0.06 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1b4c h VAL 8 CO -0.02 0.52 0.02 0.00 0.02 0.00 0.00 177.57 178.10 1b4c h ALA 9 N 1.12 0.05 -0.20 1.67 0.00 -1.11 -2.01 119.26 118.78 1b4c h ALA 9 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1b4c h ALA 9 Cb 0.96 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1b4c h ALA 9 CO 0.08 -0.47 -0.34 -0.07 0.00 0.00 0.00 179.25 178.46 1b4c h LEU 10 N 0.04 -1.08 -1.14 0.00 4.07 -1.29 -0.67 115.31 115.25 1b4c h LEU 10 Ca 0.02 0.16 0.09 0.00 0.08 0.00 0.00 57.88 58.23 1b4c h LEU 10 Cb 0.01 0.46 -0.07 0.00 1.08 0.00 0.00 40.66 42.14 1b4c h LEU 10 CO -0.02 -0.36 0.60 0.40 -1.08 0.00 0.00 178.44 177.98 1b4c h ILE 11 N -0.38 0.99 -0.24 1.22 2.04 -1.48 -2.04 117.51 117.62 1b4c h ILE 11 Ca 0.11 -0.33 -0.15 0.00 1.00 0.00 0.00 64.86 65.49 1b4c h ILE 11 Cb 0.56 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1b4c h ILE 11 CO -0.41 0.18 -0.45 -0.78 0.00 0.00 0.00 178.15 176.69 1b4c h ASP 12 N 0.96 0.66 0.02 1.72 1.82 -0.41 -2.76 116.42 118.44 1b4c h ASP 12 Ca 0.43 -0.32 -0.14 0.00 -0.39 0.00 0.00 57.03 56.61 1b4c h ASP 12 Cb 0.37 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 1b4c h ASP 12 CO -0.19 1.02 -0.46 0.58 -1.61 0.00 0.00 179.24 178.58 1b4c h VAL 13 N 0.50 1.31 -0.15 2.25 2.07 -0.58 -1.54 116.25 120.10 1b4c h VAL 13 Ca 0.03 -1.66 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 1b4c h VAL 13 Cb 0.98 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1b4c h VAL 13 CO 0.09 0.52 0.00 0.15 0.02 0.00 0.00 177.57 178.35 1b4c h PHE 14 N 0.42 0.21 -0.12 1.57 3.04 -1.31 -1.56 116.94 119.19 1b4c h PHE 14 Ca 0.03 -0.01 -0.18 0.00 3.98 0.00 0.00 57.97 61.79 1b4c h PHE 14 Cb 0.97 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.41 1b4c h PHE 14 CO 0.04 0.22 -0.69 0.45 -2.02 0.00 0.00 178.31 176.31 1b4c h HIS 15 N 0.21 0.66 -0.67 0.41 3.86 -1.08 -2.97 115.15 115.57 1b4c h HIS 15 Ca 0.05 -0.28 0.10 0.00 -1.16 0.00 0.00 60.37 59.09 1b4c h HIS 15 Cb 0.14 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 28.43 1b4c h HIS 15 CO 0.00 1.03 0.29 1.96 0.86 0.00 0.00 177.93 182.07 1b4c h GLN 16 N 0.35 0.47 -0.13 2.45 1.08 -0.31 -1.75 115.11 117.28 1b4c h GLN 16 Ca -0.02 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.01 1b4c h GLN 16 Cb 1.26 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1b4c h GLN 16 CO 0.12 0.31 -0.45 1.88 -0.95 0.00 0.00 178.83 179.74 1b4c h TYR 17 N 0.49 0.70 -2.07 2.96 -1.99 -1.57 -3.31 116.97 112.18 1b4c h TYR 17 Ca 0.34 -0.29 -0.80 0.00 2.00 0.00 0.00 58.73 59.98 1b4c h TYR 17 Cb 0.41 -0.12 -0.24 0.00 2.00 0.00 0.00 36.73 38.78 1b4c h TYR 17 CO -0.14 1.06 1.31 0.43 -0.00 0.00 0.00 178.16 180.81 1b4c n SER 18 N -4.26 7.39 -0.02 3.88 7.64 -0.81 -4.35 113.62 123.08 1b4c n SER 18 Ca -0.07 -3.55 0.01 0.00 1.01 0.00 0.00 58.87 56.27 1b4c n SER 18 Cb 0.57 -1.22 -0.01 0.00 -1.01 0.00 0.00 64.21 62.54 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 0.45 0.35 0.24 0.23 0.00 -0.72 -3.98 105.19 101.76 1b4c n GLY 19 Ca 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.42 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 0.11 0.39 0.00 1.61 3.08 -1.86 -3.42 114.38 114.29 1b4c h ARG 20 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1b4c h ARG 20 Cb 0.06 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1b4c h ARG 20 CO 0.00 0.59 0.00 0.39 -1.07 0.00 0.00 179.97 179.88 1b4c n GLU 21 N -4.16 0.00 -0.51 0.04 1.02 -1.26 -4.98 120.64 110.79 1b4c n GLU 21 Ca -0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1b4c n GLU 21 Cb 0.36 -0.17 -0.00 0.00 -0.02 0.00 0.00 31.44 31.61 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 0.35 0.02 0.44 0.62 0.00 -1.26 -4.74 105.19 100.63 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 -1.49 -3.05 1.61 3.58 -1.93 -3.41 116.42 111.72 1b4c h ASP 23 Ca -0.00 0.18 -0.45 0.00 0.42 0.00 0.00 57.03 57.18 1b4c h ASP 23 Cb 0.50 0.59 0.06 0.00 1.72 0.00 0.00 39.33 42.19 1b4c h ASP 23 CO 0.01 -0.47 0.08 -0.54 -2.88 0.00 0.00 179.24 175.43 1b4c s LYS 24 N -5.81 2.44 -0.45 0.28 1.02 -1.26 -5.01 119.74 110.94 1b4c s LYS 24 Ca -0.16 -0.54 0.05 0.00 0.02 0.00 0.00 55.97 55.34 1b4c s LYS 24 Cb 0.08 -2.36 0.42 0.00 -0.52 0.00 0.00 37.83 35.46 1b4c s LYS 24 CO 0.63 -0.91 1.22 -2.39 -0.92 0.00 0.00 175.35 172.98 1b4c n HIS 25 N -2.57 3.25 -4.23 3.18 1.44 -1.26 -5.02 115.22 110.01 1b4c n HIS 25 Ca 0.08 -2.88 -0.17 0.00 -2.01 0.00 0.00 57.72 52.73 1b4c n HIS 25 Cb 0.60 -0.25 -0.13 0.00 0.12 0.00 0.00 29.99 30.33 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 -3.60 0.74 0.02 -1.40 1.02 -1.26 -4.67 119.74 110.59 1b4c s LYS 26 Ca 0.49 -0.69 0.07 0.00 0.02 0.00 0.00 55.97 55.86 1b4c s LYS 26 Cb 0.41 -0.69 -0.02 0.00 -0.52 0.00 0.00 37.83 37.01 1b4c s LYS 26 CO -0.16 0.16 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.05 1b4c s LEU 27 N -1.16 2.12 0.30 3.17 2.96 0.74 -4.94 118.68 121.88 1b4c s LEU 27 Ca -0.02 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.36 1b4c s LEU 27 Cb -0.08 -1.07 -0.05 0.00 0.50 0.00 0.00 46.19 45.49 1b4c s LEU 27 CO 0.01 0.21 0.57 -0.54 -1.32 0.00 0.00 176.35 175.28 1b4c s LYS 28 N -0.95 3.63 0.26 1.98 1.02 -1.26 0.14 119.74 124.56 1b4c s LYS 28 Ca 0.08 0.02 -0.04 0.00 0.02 0.00 0.00 55.97 56.06 1b4c s LYS 28 Cb -0.09 -2.63 0.34 0.00 -0.52 0.00 0.00 37.83 34.93 1b4c s LYS 28 CO 0.01 0.19 1.91 1.57 -0.92 0.00 0.00 175.35 178.10 1b4c h LYS 29 N 1.58 1.24 -1.00 1.68 2.10 -1.89 -1.00 116.57 119.28 1b4c h LYS 29 Ca -0.48 -0.07 0.06 0.00 -2.00 0.00 0.00 60.65 58.16 1b4c h LYS 29 Cb 1.19 -0.28 -0.06 0.00 -0.90 0.00 0.00 32.23 32.18 1b4c h LYS 29 CO 0.66 0.82 0.65 1.03 -2.00 0.00 0.00 179.45 180.60 1b4c h SER 30 N 1.27 1.05 0.31 7.07 0.87 -1.93 -0.29 113.55 121.90 1b4c h SER 30 Ca 0.40 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.63 1b4c h SER 30 Cb 0.01 -0.22 0.03 0.00 -0.44 0.00 0.00 62.40 61.77 1b4c h SER 30 CO -0.13 0.69 -1.50 -0.33 -0.53 0.00 0.00 176.83 175.02 1b4c h GLU 31 N 1.20 0.47 -0.52 2.24 4.39 -1.82 -3.23 114.58 117.30 1b4c h GLU 31 Ca 0.42 -0.80 0.06 0.00 0.34 0.00 0.00 59.36 59.38 1b4c h GLU 31 Cb 0.12 0.30 -0.05 0.00 -0.10 0.00 0.00 28.75 29.01 1b4c h GLU 31 CO -0.16 1.38 0.22 1.25 -1.16 0.00 0.00 179.01 180.54 1b4c h LEU 32 N 0.13 0.27 -0.03 1.33 6.46 -0.86 -2.11 115.31 120.50 1b4c h LEU 32 Ca -0.26 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.59 1b4c h LEU 32 Cb 2.13 0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 42.01 1b4c h LEU 32 CO 0.25 0.19 -0.34 0.50 -0.62 0.00 0.00 178.44 178.41 1b4c h LYS 33 N 0.43 -0.46 -1.10 1.25 3.64 -1.12 0.73 116.57 119.94 1b4c h LYS 33 Ca 0.24 0.03 0.30 0.00 -1.27 0.00 0.00 60.65 59.95 1b4c h LYS 33 Cb 0.21 0.10 -0.09 0.00 -0.41 0.00 0.00 32.23 32.05 1b4c h LYS 33 CO -0.21 -0.31 0.72 0.93 -2.27 0.00 0.00 179.45 178.32 1b4c h GLU 34 N -0.48 0.27 -0.42 1.90 5.08 -1.41 0.34 114.58 119.86 1b4c h GLU 34 Ca 0.07 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1b4c h GLU 34 Cb 0.57 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1b4c h GLU 34 CO -0.29 0.18 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.66 1b4c h LEU 35 N 0.28 0.87 -1.46 1.33 3.38 -0.49 -2.67 115.31 116.56 1b4c h LEU 35 Ca 0.62 -0.39 0.10 0.00 0.09 0.00 0.00 57.88 58.30 1b4c h LEU 35 Cb 1.78 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 42.24 1b4c h LEU 35 CO -0.26 1.07 0.48 0.40 0.09 0.00 0.00 178.44 180.22 1b4c h ILE 36 N 0.67 0.92 -0.28 1.22 2.04 0.28 0.70 117.51 123.05 1b4c h ILE 36 Ca 0.10 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 1b4c h ILE 36 Cb 0.73 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1b4c h ILE 36 CO 0.06 0.11 0.04 0.78 0.00 0.00 0.00 178.15 179.13 1b4c h ASN 37 N 0.60 0.46 0.44 1.72 -0.26 -1.11 -0.51 115.58 116.92 1b4c h ASN 37 Ca 0.34 -0.27 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 1b4c h ASN 37 Cb 0.52 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1b4c h ASN 37 CO -0.12 0.61 -1.25 0.59 -1.06 0.00 0.00 177.43 176.21 1b4c n ASN 38 N -4.64 0.54 -0.06 5.81 3.02 -0.90 -3.40 115.26 115.64 1b4c n ASN 38 Ca -0.03 -0.07 -0.06 0.00 -0.03 0.00 0.00 54.58 54.39 1b4c n ASN 38 Cb 0.22 1.01 -0.15 0.00 -0.61 0.00 0.00 39.78 40.25 1b4c n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1b4c n GLU 39 N -2.17 0.67 -1.02 3.52 -0.58 0.24 -4.37 120.64 116.92 1b4c n GLU 39 Ca 0.00 0.05 -0.04 0.00 -0.42 0.00 0.00 57.16 56.75 1b4c n GLU 39 Cb 0.49 -1.61 0.16 0.00 -0.57 0.00 0.00 31.44 29.90 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 -2.76 3.58 -0.08 -4.62 4.32 -0.20 -4.74 117.00 112.50 1b4c n LEU 40 Ca -0.23 -4.13 -0.15 0.00 -0.02 0.00 0.00 56.01 51.48 1b4c n LEU 40 Cb 1.02 -0.50 -0.04 0.00 -1.62 0.00 0.00 43.42 42.28 1b4c n LEU 40 CO 0.44 1.58 0.45 0.77 -1.22 0.00 0.00 177.39 179.41 1b4c h SER 41 N 1.34 0.95 0.04 -1.43 4.64 -1.64 -2.53 113.55 114.91 1b4c h SER 41 Ca 0.14 -0.53 -0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1b4c h SER 41 Cb 1.23 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1b4c h SER 41 CO 0.28 1.30 -0.02 0.45 -0.87 0.00 0.00 176.83 177.97 1b4c h HIS 42 N 0.63 -0.04 -0.34 4.77 3.86 -1.89 -2.93 115.15 119.20 1b4c h HIS 42 Ca 0.02 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.32 1b4c h HIS 42 Cb 1.12 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 1b4c h HIS 42 CO 0.07 0.39 0.24 0.74 0.86 0.00 0.00 177.93 180.24 1b4c h PHE 43 N -0.49 0.02 -0.26 2.45 0.04 -1.91 -0.84 116.94 115.95 1b4c h PHE 43 Ca -0.00 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.84 1b4c h PHE 43 Cb 0.45 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.59 1b4c h PHE 43 CO 0.08 0.01 0.60 1.25 -0.60 0.00 0.00 178.31 179.64 1b4c h LEU 44 N 0.01 0.00 0.21 1.54 7.12 -1.25 0.18 115.31 123.13 1b4c h LEU 44 Ca 0.16 0.00 -0.30 0.00 0.13 0.00 0.00 57.88 57.87 1b4c h LEU 44 Cb 0.63 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 40.79 1b4c h LEU 44 CO -0.00 0.00 -1.34 -0.08 -0.13 0.00 0.00 178.44 176.89 1b4c h GLU 45 N 0.00 0.45 -2.79 1.25 4.22 -1.30 -3.35 114.58 113.07 1b4c h GLU 45 Ca 0.12 -0.77 -0.61 0.00 0.08 0.00 0.00 59.36 58.18 1b4c h GLU 45 Cb 1.32 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 1b4c h GLU 45 CO -0.00 1.37 3.01 0.39 -2.18 0.00 0.00 179.01 181.60 1b4c n GLU 46 N -3.82 3.56 -4.44 1.92 1.02 0.64 -4.88 120.64 114.64 1b4c n GLU 46 Ca -0.17 -2.20 -0.25 0.00 -0.02 0.00 0.00 57.16 54.51 1b4c n GLU 46 Cb 1.02 -2.65 -0.10 0.00 -0.02 0.00 0.00 31.44 29.68 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 1.47 2.52 0.06 -3.67 -1.09 -1.25 -4.50 121.20 114.73 1b4c s ILE 47 Ca 0.67 -2.24 0.00 0.00 -2.23 0.00 0.00 60.65 56.86 1b4c s ILE 47 Cb 0.20 -2.28 0.00 0.00 -1.58 0.00 0.00 42.46 38.80 1b4c s ILE 47 CO -0.06 -0.30 0.00 1.17 -1.23 0.00 0.00 174.94 174.52 1b4c n LYS 48 N -0.33 0.00 -1.58 2.79 4.81 -1.26 -4.92 118.16 117.66 1b4c n LYS 48 Ca -0.08 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.96 1b4c n LYS 48 Cb 0.58 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.62 1b4c n LYS 48 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1b4c n GLU 49 N -2.66 3.22 0.10 1.64 4.07 -1.26 -4.72 120.64 121.04 1b4c n GLU 49 Ca 0.00 -2.47 0.16 0.00 -0.06 0.00 0.00 57.16 54.79 1b4c n GLU 49 Cb 0.00 -3.08 0.43 0.00 -0.06 0.00 0.00 31.44 28.73 1b4c n GLU 49 CO 0.00 0.00 0.00 1.96 -0.06 0.00 0.00 177.13 179.03 1b4c h GLN 50 N 5.59 0.00 0.00 5.31 4.20 -1.94 1.04 115.11 129.31 1b4c h GLN 50 Ca 0.69 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 59.37 1b4c h GLN 50 Cb 0.50 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1b4c h GLN 50 CO 1.84 0.00 -0.14 0.93 -0.67 0.00 0.00 178.83 180.79 1b4c h GLU 51 N 0.00 0.00 0.03 1.46 4.39 -1.99 -1.10 114.58 117.36 1b4c h GLU 51 Ca 0.20 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1b4c h GLU 51 Cb 1.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.55 1b4c h GLU 51 CO -0.00 0.14 -0.01 0.28 -1.16 0.00 0.00 179.01 178.26 1b4c h VAL 52 N 0.00 1.44 -0.23 3.13 2.07 0.75 -2.61 116.25 120.79 1b4c h VAL 52 Ca -0.00 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 65.79 1b4c h VAL 52 Cb 0.78 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1b4c h VAL 52 CO 0.02 0.42 0.02 0.58 0.02 0.00 0.00 177.57 178.63 1b4c h VAL 53 N -0.81 1.14 -0.26 2.57 2.07 -1.59 -2.42 116.25 116.96 1b4c h VAL 53 Ca -0.00 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 1b4c h VAL 53 Cb 0.71 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1b4c h VAL 53 CO 0.01 0.18 0.16 -0.78 0.02 0.00 0.00 177.57 177.15 1b4c h ASP 54 N 0.33 0.31 0.37 0.57 1.82 -1.18 -2.12 116.42 116.53 1b4c h ASP 54 Ca 0.08 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.63 1b4c h ASP 54 Cb 0.20 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 1b4c h ASP 54 CO 0.00 0.27 -0.21 0.11 -1.61 0.00 0.00 179.24 177.80 1b4c h LYS 55 N 0.33 0.00 0.45 0.28 1.57 -1.05 -2.73 116.57 115.42 1b4c h LYS 55 Ca 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1b4c h LYS 55 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1b4c h LYS 55 CO -0.02 0.21 -0.22 0.28 -0.57 0.00 0.00 179.45 179.13 1b4c h VAL 56 N 0.00 0.52 -0.52 0.50 2.07 -1.03 0.33 116.25 118.11 1b4c h VAL 56 Ca -0.00 -0.33 0.15 0.00 0.82 0.00 0.00 66.70 67.34 1b4c h VAL 56 Cb 0.45 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1b4c h VAL 56 CO 0.03 0.06 0.43 0.24 0.02 0.00 0.00 177.57 178.34 1b4c h MET 57 N -0.81 0.00 0.08 1.57 2.86 -1.20 0.11 114.93 117.54 1b4c h MET 57 Ca -0.06 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.28 1b4c h MET 57 Cb 0.55 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1b4c h MET 57 CO 0.10 0.00 -1.58 1.49 1.06 0.00 0.00 176.91 177.98 1b4c h GLU 58 N 0.00 0.16 -0.29 1.72 4.81 -1.16 -2.83 114.58 117.00 1b4c h GLU 58 Ca 0.25 -0.28 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 1b4c h GLU 58 Cb 1.11 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 1b4c h GLU 58 CO -0.00 0.95 -0.18 1.15 -0.73 0.00 0.00 179.01 180.20 1b4c h THR 59 N 0.04 1.30 0.72 0.32 2.02 0.16 -1.18 112.91 116.30 1b4c h THR 59 Ca -0.25 -1.31 -0.04 0.00 0.77 0.00 0.00 66.41 65.58 1b4c h THR 59 Cb 1.99 1.52 0.01 0.00 -1.74 0.00 0.00 68.15 69.93 1b4c h THR 59 CO 0.13 0.42 -0.35 -0.07 0.37 0.00 0.00 175.52 176.02 1b4c h LEU 60 N 0.37 -0.82 -1.68 2.58 3.38 -1.00 -0.35 115.31 117.79 1b4c h LEU 60 Ca 0.06 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1b4c h LEU 60 Cb 0.72 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1b4c h LEU 60 CO 0.05 -0.57 0.51 -0.78 0.09 0.00 0.00 178.44 177.75 1b4c h ASP 61 N -1.01 0.00 -1.00 -0.43 3.58 -1.47 0.41 116.42 116.50 1b4c h ASP 61 Ca -0.10 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.68 1b4c h ASP 61 Cb 0.76 0.00 -0.31 0.00 1.72 0.00 0.00 39.33 41.50 1b4c h ASP 61 CO 0.16 0.00 0.68 -0.62 -2.88 0.00 0.00 179.24 176.58 1b4c n GLU 62 N -3.11 2.80 -0.37 0.28 -0.58 -0.15 -4.70 120.64 114.81 1b4c n GLU 62 Ca 0.03 -3.40 0.29 0.00 -0.42 0.00 0.00 57.16 53.65 1b4c n GLU 62 Cb 0.61 -2.29 0.55 0.00 -0.57 0.00 0.00 31.44 29.74 1b4c n GLU 62 CO 0.00 0.00 0.00 0.22 -0.48 0.00 0.00 177.13 176.87 1b4c h ASP 63 N 2.05 0.40 0.00 1.62 3.58 -0.01 -3.43 116.42 120.63 1b4c h ASP 63 Ca 0.58 0.15 0.00 0.00 0.42 0.00 0.00 57.03 58.18 1b4c h ASP 63 Cb 0.87 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.03 1b4c h ASP 63 CO 1.49 -0.11 0.00 0.61 -2.88 0.00 0.00 179.24 178.35 1b4c n GLY 64 N -1.42 0.00 0.05 -0.78 0.00 -1.26 -4.52 105.19 97.27 1b4c n GLY 64 Ca 0.32 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.40 1b4c n GLY 64 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4c n ASP 65 N 0.00 0.70 0.00 1.61 8.00 -1.26 -4.99 116.55 120.61 1b4c n ASP 65 Ca 0.00 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.65 1b4c n ASP 65 Cb 0.00 0.90 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 1b4c n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1b4c n GLY 66 N 1.22 2.46 3.02 0.44 0.00 -1.26 -4.89 105.19 106.18 1b4c n GLY 66 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.18 -0.22 1.61 0.41 -1.26 -4.85 118.70 114.56 1b4c s GLU 67 Ca 0.00 0.49 -0.08 0.00 -0.41 0.00 0.00 54.97 54.97 1b4c s GLU 67 Cb 0.00 -0.14 -0.04 0.00 -1.78 0.00 0.00 34.13 32.17 1b4c s GLU 67 CO 0.00 -0.16 0.09 0.00 -0.49 0.00 0.00 175.26 174.70 1b4c n ASP 69 N 4.25 0.12 0.06 0.00 8.00 -1.26 -0.18 116.55 127.53 1b4c n ASP 69 Ca -0.16 -1.29 -0.10 0.00 0.71 0.00 0.00 54.79 53.95 1b4c n ASP 69 Cb 0.52 -0.52 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 1b4c n ASP 69 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1b4c h PHE 70 N -1.32 0.55 -0.80 1.24 3.04 -1.95 -2.91 116.94 114.79 1b4c h PHE 70 Ca -0.22 -0.26 0.13 0.00 3.98 0.00 0.00 57.97 61.60 1b4c h PHE 70 Cb 0.63 -0.08 -0.06 0.00 2.56 0.00 0.00 35.95 39.00 1b4c h PHE 70 CO 0.00 1.03 0.52 0.37 -2.02 0.00 0.00 178.31 178.21 1b4c h GLN 71 N 0.26 0.59 0.00 1.11 5.75 -1.99 0.46 115.11 121.30 1b4c h GLN 71 Ca -0.04 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.36 1b4c h GLN 71 Cb 1.37 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 29.77 1b4c h GLN 71 CO 0.13 0.39 -0.28 0.93 -2.65 0.00 0.00 178.83 177.36 1b4c h GLU 72 N 0.61 0.00 -0.03 1.69 4.39 -1.88 -2.54 114.58 116.82 1b4c h GLU 72 Ca 0.39 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.88 1b4c h GLU 72 Cb 0.65 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.31 1b4c h GLU 72 CO -0.15 0.28 -0.80 0.35 -1.16 0.00 0.00 179.01 177.53 1b4c h PHE 73 N 0.00 0.87 0.26 4.33 3.57 -0.05 -1.97 116.94 123.96 1b4c h PHE 73 Ca -0.00 -0.45 -0.01 0.00 3.53 0.00 0.00 57.97 61.04 1b4c h PHE 73 Cb 0.84 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1b4c h PHE 73 CO 0.00 1.27 -0.13 1.98 -2.23 0.00 0.00 178.31 179.21 1b4c h MET 74 N 0.22 -0.34 -0.56 1.11 4.05 -1.17 0.04 114.93 118.27 1b4c h MET 74 Ca -0.09 0.02 0.10 0.00 -0.28 0.00 0.00 59.70 59.45 1b4c h MET 74 Cb 1.47 0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 32.27 1b4c h MET 74 CO 0.16 -0.02 0.13 0.00 0.23 0.00 0.00 176.91 177.41 1b4c h ALA 75 N -0.10 0.66 -0.21 0.39 0.00 -1.54 0.20 119.26 118.66 1b4c h ALA 75 Ca -0.04 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1b4c h ALA 75 Cb 0.48 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1b4c h ALA 75 CO 0.06 -0.29 -0.28 0.74 0.00 0.00 0.00 179.25 179.48 1b4c h PHE 76 N 0.27 0.45 -0.20 0.00 0.04 -1.31 -2.07 116.94 114.11 1b4c h PHE 76 Ca 0.29 -0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.89 1b4c h PHE 76 Cb 0.40 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1b4c h PHE 76 CO -0.23 0.65 -0.20 0.28 -0.60 0.00 0.00 178.31 178.21 1b4c h VAL 77 N 0.35 1.23 0.20 -0.55 2.07 0.59 -2.82 116.25 117.32 1b4c h VAL 77 Ca 0.05 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 1b4c h VAL 77 Cb 0.68 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1b4c h VAL 77 CO 0.05 0.34 -0.10 -1.28 0.02 0.00 0.00 177.57 176.60 1b4c h SER 78 N 0.32 -0.23 -1.00 0.57 0.87 -0.46 -2.30 113.55 111.33 1b4c h SER 78 Ca 0.06 -0.31 0.22 0.00 -1.23 0.00 0.00 61.79 60.53 1b4c h SER 78 Cb 0.54 0.06 -0.11 0.00 -0.44 0.00 0.00 62.40 62.45 1b4c h SER 78 CO 0.04 0.27 0.61 0.24 -0.53 0.00 0.00 176.83 177.46 1b4c h MET 79 N -0.82 0.64 0.19 2.24 2.07 -1.35 0.68 114.93 118.57 1b4c h MET 79 Ca -0.03 -0.04 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 1b4c h MET 79 Cb 0.52 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 30.10 1b4c h MET 79 CO 0.04 0.42 -0.09 0.28 1.07 0.00 0.00 176.91 178.64 1b4c h VAL 80 N 0.66 0.64 -0.99 -2.22 2.07 -1.53 0.20 116.25 115.08 1b4c h VAL 80 Ca 0.60 -1.06 0.09 0.00 0.82 0.00 0.00 66.70 67.14 1b4c h VAL 80 Cb 1.07 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 1b4c h VAL 80 CO -0.39 0.17 0.63 0.71 0.02 0.00 0.00 177.57 178.71 1b4c h THR 81 N -0.94 1.01 0.00 2.57 1.35 -0.93 0.25 112.91 116.22 1b4c h THR 81 Ca -0.03 -0.37 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 1b4c h THR 81 Cb 0.48 -0.16 -0.00 0.00 -1.73 0.00 0.00 68.15 66.73 1b4c h THR 81 CO 0.04 0.20 -0.06 0.71 -0.25 0.00 0.00 175.52 176.16 1b4c h THR 82 N 1.08 0.13 -0.28 6.82 1.35 0.33 -2.96 112.91 119.39 1b4c h THR 82 Ca 0.46 -0.85 0.08 0.00 -0.55 0.00 0.00 66.41 65.55 1b4c h THR 82 Cb 0.31 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 1b4c h THR 82 CO -0.21 0.06 0.28 0.00 -0.25 0.00 0.00 175.52 175.40 1b4c h ALA 83 N 1.94 1.97 -2.46 6.62 0.00 0.28 -3.41 119.26 124.20 1b4c h ALA 83 Ca -0.00 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.41 1b4c h ALA 83 Cb 0.74 0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.61 1b4c h ALA 83 CO 0.01 -0.42 0.41 0.00 0.00 0.00 0.00 179.25 179.24 1b4c n HIS 85 N -1.20 -1.89 -1.42 0.00 -0.00 -1.26 -4.49 115.22 104.96 1b4c n HIS 85 Ca 0.10 0.34 -0.49 0.00 0.46 0.00 0.00 57.72 58.14 1b4c n HIS 85 Cb 0.52 -1.49 -0.09 0.00 -0.12 0.00 0.00 29.99 28.80 1b4c n HIS 85 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1b4c n GLU 86 N 0.45 0.58 0.27 1.57 1.02 -1.26 -4.74 120.64 118.54 1b4c n GLU 86 Ca -0.00 0.12 0.15 0.00 -0.02 0.00 0.00 57.16 57.41 1b4c n GLU 86 Cb 0.66 -2.15 0.78 0.00 -0.02 0.00 0.00 31.44 30.71 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 12.40 0.00 -0.96 -0.32 -0.00 -1.94 -2.71 116.94 123.41 1b4c h PHE 87 Ca -0.18 0.00 0.20 0.00 -0.00 0.00 0.00 57.97 58.00 1b4c h PHE 87 Cb 1.34 0.00 -0.11 0.00 -0.00 0.00 0.00 35.95 37.17 1b4c h PHE 87 CO 0.99 0.09 0.53 0.74 -0.00 0.00 0.00 178.31 180.66 1b4c h PHE 88 N 0.00 0.92 -2.16 6.09 0.04 -1.98 -0.91 116.94 118.95 1b4c h PHE 88 Ca -0.00 0.04 -0.79 0.00 2.80 0.00 0.00 57.97 60.01 1b4c h PHE 88 Cb 0.35 -0.26 -0.27 0.00 2.20 0.00 0.00 35.95 37.96 1b4c h PHE 88 CO 0.00 0.12 1.01 0.39 -0.60 0.00 0.00 178.31 179.23 1b4c n GLU 89 N -4.87 4.48 -1.92 1.51 1.02 -1.02 -4.97 120.64 114.86 1b4c n GLU 89 Ca 0.23 -4.28 -0.39 0.00 -0.02 0.00 0.00 57.16 52.70 1b4c n GLU 89 Cb 0.61 -2.40 -0.03 0.00 -0.02 0.00 0.00 31.44 29.61 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 -4.23 1.55 -2.00 -0.32 2.46 -0.35 -5.00 115.29 107.41 1b4c s HIS 90 Ca 0.44 0.91 0.28 0.00 0.47 0.00 0.00 55.06 57.15 1b4c s HIS 90 Cb 0.28 -3.99 1.64 0.00 -0.13 0.00 0.00 32.58 30.38 1b4c s HIS 90 CO -0.23 -2.53 1.99 0.39 -2.47 0.00 0.00 174.74 171.89