#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 1.64 0.43 6.12 1.04 -1.26 -4.74 113.70 116.93 1b4c s SER 1 Ca 0.00 1.58 0.15 0.00 0.48 0.00 0.00 55.95 58.16 1b4c s SER 1 Cb 0.00 -2.28 1.04 0.00 0.10 0.00 0.00 66.02 64.87 1b4c s SER 1 CO 0.00 -3.80 1.93 -0.33 0.98 0.00 0.00 173.24 172.02 1b4c h GLU 2 N -2.35 0.41 -0.12 4.02 3.07 -2.06 -1.51 114.58 116.04 1b4c h GLU 2 Ca -0.57 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.26 1b4c h GLU 2 Cb 1.32 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 1b4c h GLU 2 CO 0.50 0.27 0.05 1.25 -1.40 0.00 0.00 179.01 179.69 1b4c h LEU 3 N 0.43 0.17 -0.60 1.33 6.46 -2.00 -2.76 115.31 118.34 1b4c h LEU 3 Ca 0.36 -0.16 0.11 0.00 -0.12 0.00 0.00 57.88 58.07 1b4c h LEU 3 Cb 0.79 -0.04 -0.09 0.00 -0.73 0.00 0.00 40.66 40.59 1b4c h LEU 3 CO -0.11 0.28 0.11 -0.33 -0.62 0.00 0.00 178.44 177.76 1b4c h GLU 4 N 0.04 0.23 -0.85 1.25 3.07 -1.59 0.40 114.58 117.13 1b4c h GLU 4 Ca 0.04 -0.01 0.19 0.00 -0.50 0.00 0.00 59.36 59.08 1b4c h GLU 4 Cb 0.16 -0.05 -0.11 0.00 -0.84 0.00 0.00 28.75 27.91 1b4c h GLU 4 CO -0.00 0.15 0.35 0.87 -1.40 0.00 0.00 179.01 178.98 1b4c h LYS 5 N 0.24 0.40 0.01 2.33 1.57 -1.29 0.12 116.57 119.96 1b4c h LYS 5 Ca 0.31 -0.02 -0.20 0.00 -1.87 0.00 0.00 60.65 58.87 1b4c h LYS 5 Cb 0.47 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1b4c h LYS 5 CO -0.41 0.27 -0.95 0.00 -0.57 0.00 0.00 179.45 177.79 1b4c h ALA 6 N 1.65 0.45 -0.22 3.86 0.00 -0.50 -2.66 119.26 121.84 1b4c h ALA 6 Ca 0.51 -0.82 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1b4c h ALA 6 Cb 0.90 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1b4c h ALA 6 CO -0.49 1.09 0.13 1.98 0.00 0.00 0.00 179.25 181.96 1b4c h MET 7 N 0.03 0.31 -0.39 0.00 -1.53 0.22 -1.34 114.93 112.23 1b4c h MET 7 Ca -0.03 -0.03 -0.07 0.00 -3.44 0.00 0.00 59.70 56.13 1b4c h MET 7 Cb 1.64 -0.06 -0.02 0.00 -0.55 0.00 0.00 31.60 32.61 1b4c h MET 7 CO 0.13 0.26 -0.03 0.28 0.14 0.00 0.00 176.91 177.69 1b4c h VAL 8 N 0.26 1.23 -0.38 -5.77 2.07 -1.28 -2.65 116.25 109.73 1b4c h VAL 8 Ca 0.08 -0.95 0.04 0.00 0.82 0.00 0.00 66.70 66.69 1b4c h VAL 8 Cb 0.04 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 1b4c h VAL 8 CO -0.01 0.33 0.17 0.00 0.02 0.00 0.00 177.57 178.07 1b4c h ALA 9 N 1.37 0.46 -0.68 1.67 0.00 -0.99 0.20 119.26 121.28 1b4c h ALA 9 Ca 0.12 0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1b4c h ALA 9 Cb 0.43 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.08 1b4c h ALA 9 CO 0.02 -0.21 0.01 -0.07 0.00 0.00 0.00 179.25 179.00 1b4c h LEU 10 N 0.35 -0.29 -0.43 0.00 4.07 -0.90 0.41 115.31 118.51 1b4c h LEU 10 Ca 0.17 0.17 -0.03 0.00 0.08 0.00 0.00 57.88 58.26 1b4c h LEU 10 Cb 0.10 0.30 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 1b4c h LEU 10 CO -0.14 -0.14 0.14 0.40 -1.08 0.00 0.00 178.44 177.63 1b4c h ILE 11 N 0.12 1.22 -0.50 1.22 2.04 -1.32 0.79 117.51 121.07 1b4c h ILE 11 Ca 0.36 -0.71 0.10 0.00 1.00 0.00 0.00 64.86 65.62 1b4c h ILE 11 Cb 0.61 0.86 -0.10 0.00 -0.74 0.00 0.00 36.82 37.46 1b4c h ILE 11 CO -0.58 0.25 -0.14 -0.78 0.00 0.00 0.00 178.15 176.90 1b4c h ASP 12 N 0.56 -0.50 0.44 1.72 3.58 0.17 0.69 116.42 123.08 1b4c h ASP 12 Ca 0.14 0.15 -0.25 0.00 0.42 0.00 0.00 57.03 57.50 1b4c h ASP 12 Cb 0.25 0.32 0.01 0.00 1.72 0.00 0.00 39.33 41.63 1b4c h ASP 12 CO -0.01 -0.18 -1.08 0.58 -2.88 0.00 0.00 179.24 175.68 1b4c h VAL 13 N -0.01 1.43 -0.30 2.25 2.07 -0.62 -2.09 116.25 118.99 1b4c h VAL 13 Ca 0.24 -2.69 -0.05 0.00 0.82 0.00 0.00 66.70 65.02 1b4c h VAL 13 Cb 0.38 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.78 1b4c h VAL 13 CO -0.53 0.80 -0.02 0.15 0.02 0.00 0.00 177.57 177.99 1b4c h PHE 14 N 0.17 0.47 0.03 1.57 3.04 -0.21 -2.38 116.94 119.62 1b4c h PHE 14 Ca -0.11 -0.05 -0.22 0.00 3.98 0.00 0.00 57.97 61.58 1b4c h PHE 14 Cb 1.75 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 40.12 1b4c h PHE 14 CO 0.06 0.49 -0.97 1.25 -2.02 0.00 0.00 178.31 177.12 1b4c h HIS 15 N 0.44 0.32 -0.68 0.41 2.76 -0.88 -3.14 115.15 114.39 1b4c h HIS 15 Ca 0.10 -0.19 0.09 0.00 -2.20 0.00 0.00 60.37 58.16 1b4c h HIS 15 Cb 0.32 -0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.18 1b4c h HIS 15 CO 0.01 1.05 0.31 0.37 -1.30 0.00 0.00 177.93 178.38 1b4c h GLN 16 N 0.10 0.52 -0.17 5.26 -0.00 -0.83 -1.68 115.11 118.31 1b4c h GLN 16 Ca -0.06 -0.03 -0.11 0.00 -0.00 0.00 0.00 58.65 58.45 1b4c h GLN 16 Cb 1.64 -0.12 0.00 0.00 0.00 0.00 0.00 27.48 29.00 1b4c h GLN 16 CO 0.15 0.35 -0.33 1.88 0.00 0.00 0.00 178.83 180.88 1b4c h TYR 17 N 0.54 0.65 -2.15 3.99 -1.99 -1.61 -3.30 116.97 113.10 1b4c h TYR 17 Ca 0.34 -0.24 -0.80 0.00 2.00 0.00 0.00 58.73 60.03 1b4c h TYR 17 Cb 0.37 -0.12 -0.25 0.00 2.00 0.00 0.00 36.73 38.73 1b4c h TYR 17 CO -0.13 0.96 1.21 0.43 -0.00 0.00 0.00 178.16 180.64 1b4c n SER 18 N -4.34 7.35 -0.00 3.88 7.64 -0.80 -4.37 113.62 122.97 1b4c n SER 18 Ca -0.06 -3.59 0.01 0.00 1.01 0.00 0.00 58.87 56.24 1b4c n SER 18 Cb 0.49 -1.21 -0.01 0.00 -1.01 0.00 0.00 64.21 62.47 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 0.33 0.72 0.24 0.23 0.00 -0.70 -3.97 105.19 102.03 1b4c n GLY 19 Ca 0.47 -0.07 0.01 0.00 0.00 0.00 0.00 46.02 46.43 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 0.31 0.00 1.61 3.08 -1.86 -3.42 114.38 114.11 1b4c h ARG 20 Ca 0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1b4c h ARG 20 Cb 0.06 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1b4c h ARG 20 CO 0.00 0.48 0.00 0.39 -1.07 0.00 0.00 179.97 179.77 1b4c n GLU 21 N -4.22 0.00 -0.54 0.04 1.02 -1.26 -4.98 120.64 110.70 1b4c n GLU 21 Ca -0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.13 1b4c n GLU 21 Cb 0.31 -0.16 -0.00 0.00 -0.02 0.00 0.00 31.44 31.57 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 0.53 0.09 0.40 0.62 0.00 -1.25 -4.73 105.19 100.84 1b4c n GLY 22 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.37 -4.93 1.61 5.19 -1.93 -3.41 116.42 111.58 1b4c h ASP 23 Ca -0.02 0.19 -0.39 0.00 -0.62 0.00 0.00 57.03 56.19 1b4c h ASP 23 Cb 0.48 0.57 0.08 0.00 0.18 0.00 0.00 39.33 40.64 1b4c h ASP 23 CO 0.03 -0.41 0.14 0.29 -3.12 0.00 0.00 179.24 176.17 1b4c n LYS 24 N -5.43 -0.18 -2.53 3.56 5.02 -1.26 -5.03 118.16 112.31 1b4c n LYS 24 Ca -0.03 -2.21 -0.16 0.00 -2.02 0.00 0.00 58.31 53.89 1b4c n LYS 24 Cb 0.36 -0.66 0.02 0.00 -0.02 0.00 0.00 35.03 34.73 1b4c n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1b4c n HIS 25 N -2.78 2.16 -4.14 2.13 8.25 -1.26 -5.06 115.22 114.51 1b4c n HIS 25 Ca 0.14 -2.68 -0.17 0.00 -0.26 0.00 0.00 57.72 54.75 1b4c n HIS 25 Cb 0.50 -0.25 -0.12 0.00 1.12 0.00 0.00 29.99 31.24 1b4c n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1b4c s LYS 26 N -3.46 0.72 -0.02 -0.41 1.02 -1.26 -4.63 119.74 111.71 1b4c s LYS 26 Ca 0.38 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.56 1b4c s LYS 26 Cb 0.41 -0.64 -0.02 0.00 -0.52 0.00 0.00 37.83 37.06 1b4c s LYS 26 CO -0.05 0.14 -0.21 -1.17 -0.92 0.00 0.00 175.35 173.14 1b4c s LEU 27 N -1.64 2.04 0.35 3.17 2.96 0.93 -4.96 118.68 121.53 1b4c s LEU 27 Ca -0.05 -0.38 -0.09 0.00 -0.22 0.00 0.00 54.13 53.39 1b4c s LEU 27 Cb -0.10 -1.10 -0.06 0.00 0.50 0.00 0.00 46.19 45.43 1b4c s LEU 27 CO 0.02 0.26 0.68 -0.75 -1.32 0.00 0.00 176.35 175.24 1b4c s LYS 28 N -0.50 3.76 0.18 1.98 2.20 -1.26 0.44 119.74 126.53 1b4c s LYS 28 Ca 0.08 0.33 -0.11 0.00 -0.36 0.00 0.00 55.97 55.91 1b4c s LYS 28 Cb -0.08 -2.49 0.10 0.00 -1.51 0.00 0.00 37.83 33.84 1b4c s LYS 28 CO -0.01 0.09 1.76 1.57 -0.36 0.00 0.00 175.35 178.40 1b4c h LYS 29 N 1.58 0.93 -0.98 4.03 2.10 -1.91 0.16 116.57 122.48 1b4c h LYS 29 Ca -0.47 -0.15 0.09 0.00 -2.00 0.00 0.00 60.65 58.12 1b4c h LYS 29 Cb 1.19 -0.16 -0.07 0.00 -0.90 0.00 0.00 32.23 32.28 1b4c h LYS 29 CO 0.65 0.76 0.63 1.03 -2.00 0.00 0.00 179.45 180.52 1b4c h SER 30 N 0.89 0.95 0.60 7.07 0.87 -1.94 0.35 113.55 122.34 1b4c h SER 30 Ca 0.22 0.03 -0.28 0.00 -1.23 0.00 0.00 61.79 60.53 1b4c h SER 30 Cb 0.15 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1b4c h SER 30 CO -0.02 0.56 -1.38 -0.33 -0.53 0.00 0.00 176.83 175.12 1b4c h GLU 31 N 1.05 0.18 -0.19 2.24 3.07 -1.88 -3.21 114.58 115.85 1b4c h GLU 31 Ca 0.46 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1b4c h GLU 31 Cb 0.35 0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1b4c h GLU 31 CO -0.21 1.05 0.12 1.25 -1.40 0.00 0.00 179.01 179.82 1b4c h LEU 32 N 0.05 0.22 -0.02 1.33 6.46 0.24 -2.26 115.31 121.32 1b4c h LEU 32 Ca -0.18 -0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.60 1b4c h LEU 32 Cb 1.96 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 41.78 1b4c h LEU 32 CO 0.16 0.17 -0.35 0.50 -0.62 0.00 0.00 178.44 178.29 1b4c h LYS 33 N 0.25 -0.48 -1.11 1.25 3.11 -0.42 0.15 116.57 119.32 1b4c h LYS 33 Ca 0.07 0.03 0.31 0.00 -2.81 0.00 0.00 60.65 58.25 1b4c h LYS 33 Cb -0.02 0.11 -0.10 0.00 -1.00 0.00 0.00 32.23 31.22 1b4c h LYS 33 CO -0.01 -0.32 0.72 1.49 -2.81 0.00 0.00 179.45 178.52 1b4c h GLU 34 N -0.50 0.29 -0.55 1.90 4.22 -1.48 1.10 114.58 119.58 1b4c h GLU 34 Ca 0.06 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.41 1b4c h GLU 34 Cb 0.59 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1b4c h GLU 34 CO -0.30 0.19 0.05 -0.07 -2.18 0.00 0.00 179.01 176.70 1b4c h LEU 35 N 0.30 0.85 -1.17 1.64 3.38 -0.15 -2.02 115.31 118.14 1b4c h LEU 35 Ca 0.64 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 1b4c h LEU 35 Cb 1.78 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 1b4c h LEU 35 CO -0.30 0.88 0.02 0.40 0.09 0.00 0.00 178.44 179.53 1b4c h ILE 36 N 0.84 1.20 0.00 1.22 2.04 0.19 0.29 117.51 123.29 1b4c h ILE 36 Ca 0.17 -0.80 -0.04 0.00 1.00 0.00 0.00 64.86 65.19 1b4c h ILE 36 Cb 0.43 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1b4c h ILE 36 CO 0.01 0.28 -0.17 -1.13 0.00 0.00 0.00 178.15 177.14 1b4c h ASN 37 N 0.57 0.00 -0.03 1.72 -0.73 -0.58 -0.76 115.58 115.77 1b4c h ASN 37 Ca 0.12 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.29 1b4c h ASN 37 Cb 0.33 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.92 1b4c h ASN 37 CO 0.01 0.17 0.00 -3.20 -0.37 0.00 0.00 177.43 174.04 1b4c n ASN 38 N -3.60 1.61 0.00 1.15 2.85 -0.90 -4.29 115.26 112.07 1b4c n ASN 38 Ca -0.01 -1.49 0.00 0.00 -0.11 0.00 0.00 54.58 52.97 1b4c n ASN 38 Cb 0.31 -0.02 0.00 0.00 1.24 0.00 0.00 39.78 41.31 1b4c n ASN 38 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1b4c n GLU 39 N -0.07 2.61 -0.09 1.20 4.07 0.97 -4.74 120.64 124.58 1b4c n GLU 39 Ca 0.02 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.16 1b4c n GLU 39 Cb 0.15 -0.90 0.09 0.00 -0.06 0.00 0.00 31.44 30.72 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 -1.55 2.42 0.19 4.31 7.99 -0.30 -4.63 117.00 125.43 1b4c n LEU 40 Ca 0.00 -2.37 0.06 0.00 -0.01 0.00 0.00 56.01 53.69 1b4c n LEU 40 Cb 0.28 -0.20 0.33 0.00 -0.11 0.00 0.00 43.42 43.73 1b4c n LEU 40 CO 0.00 0.61 0.68 0.77 -1.51 0.00 0.00 177.39 177.94 1b4c h SER 41 N 0.51 0.00 0.00 -1.43 4.64 -1.73 -2.81 113.55 112.74 1b4c h SER 41 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1b4c h SER 41 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1b4c h SER 41 CO 0.02 0.37 -0.00 0.45 -0.87 0.00 0.00 176.83 176.80 1b4c h HIS 42 N 0.00 -0.00 0.00 4.77 3.86 -1.92 -3.18 115.15 118.68 1b4c h HIS 42 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1b4c h HIS 42 Cb 0.90 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.37 1b4c h HIS 42 CO 0.00 0.70 0.00 0.74 0.86 0.00 0.00 177.93 180.23 1b4c h PHE 43 N -0.71 0.00 -0.96 2.45 0.04 -1.88 -2.90 116.94 112.96 1b4c h PHE 43 Ca -0.00 0.00 0.28 0.00 2.80 0.00 0.00 57.97 61.05 1b4c h PHE 43 Cb 0.71 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.82 1b4c h PHE 43 CO 0.17 0.00 0.79 1.25 -0.60 0.00 0.00 178.31 179.92 1b4c h LEU 44 N 0.00 0.00 -0.17 1.54 5.85 -1.47 0.36 115.31 121.43 1b4c h LEU 44 Ca 0.00 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.49 1b4c h LEU 44 Cb 0.31 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.35 1b4c h LEU 44 CO 0.00 0.00 -0.87 -0.08 -0.34 0.00 0.00 178.44 177.15 1b4c h GLU 45 N 0.00 0.63 -2.34 1.25 4.81 -1.71 -3.31 114.58 113.91 1b4c h GLU 45 Ca 0.46 -0.58 -0.63 0.00 -0.13 0.00 0.00 59.36 58.47 1b4c h GLU 45 Cb 2.03 0.14 -0.15 0.00 0.63 0.00 0.00 28.75 31.40 1b4c h GLU 45 CO -0.00 1.20 1.50 0.39 -0.73 0.00 0.00 179.01 181.36 1b4c n GLU 46 N -3.86 3.64 -4.34 1.92 1.02 0.13 -4.91 120.64 114.23 1b4c n GLU 46 Ca -0.08 -2.98 -0.18 0.00 -0.02 0.00 0.00 57.16 53.91 1b4c n GLU 46 Cb 0.79 -2.41 -0.10 0.00 -0.02 0.00 0.00 31.44 29.70 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 -1.66 1.38 0.00 -3.67 1.01 -1.24 -4.74 121.20 112.28 1b4c s ILE 47 Ca 0.56 -2.10 0.00 0.00 0.00 0.00 0.00 60.65 59.11 1b4c s ILE 47 Cb 0.27 -2.20 0.00 0.00 0.01 0.00 0.00 42.46 40.54 1b4c s ILE 47 CO -0.15 -0.47 0.00 1.17 0.00 0.00 0.00 174.94 175.49 1b4c n LYS 48 N -0.41 0.00 -0.78 2.79 4.81 -1.26 -4.90 118.16 118.41 1b4c n LYS 48 Ca -0.07 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.14 1b4c n LYS 48 Cb 0.62 -0.16 -0.02 0.00 0.02 0.00 0.00 35.03 35.50 1b4c n LYS 48 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1b4c n GLU 49 N -2.13 2.16 -0.31 1.64 -0.58 -1.26 -4.62 120.64 115.54 1b4c n GLU 49 Ca 0.00 -1.50 0.35 0.00 -0.42 0.00 0.00 57.16 55.59 1b4c n GLU 49 Cb 0.00 -2.48 0.68 0.00 -0.57 0.00 0.00 31.44 29.07 1b4c n GLU 49 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1b4c h GLN 50 N 6.28 0.00 0.00 3.49 1.08 -1.94 1.35 115.11 125.37 1b4c h GLN 50 Ca 0.51 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.67 1b4c h GLN 50 Cb 0.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 1b4c h GLN 50 CO 1.47 0.00 -0.20 1.05 -0.95 0.00 0.00 178.83 180.20 1b4c h GLU 51 N 0.00 0.00 -0.03 1.46 4.11 -1.99 -0.91 114.58 117.22 1b4c h GLU 51 Ca 0.57 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.95 1b4c h GLU 51 Cb 2.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.86 1b4c h GLU 51 CO -0.01 0.20 -0.15 0.28 0.07 0.00 0.00 179.01 179.41 1b4c h VAL 52 N 0.00 1.48 -0.45 -1.06 2.07 0.14 -2.72 116.25 115.72 1b4c h VAL 52 Ca -0.00 -1.64 -0.05 0.00 0.82 0.00 0.00 66.70 65.83 1b4c h VAL 52 Cb 0.77 2.47 -0.02 0.00 -1.52 0.00 0.00 31.29 32.99 1b4c h VAL 52 CO 0.03 0.45 0.08 0.58 0.02 0.00 0.00 177.57 178.73 1b4c h VAL 53 N -0.43 1.21 -0.62 2.57 2.07 -1.47 -2.37 116.25 117.20 1b4c h VAL 53 Ca -0.01 -0.77 0.06 0.00 0.82 0.00 0.00 66.70 66.79 1b4c h VAL 53 Cb 0.81 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 1b4c h VAL 53 CO 0.03 0.28 0.34 -0.78 0.02 0.00 0.00 177.57 177.46 1b4c h ASP 54 N 0.66 0.49 0.74 0.57 3.58 -1.11 -0.68 116.42 120.68 1b4c h ASP 54 Ca 0.15 0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.55 1b4c h ASP 54 Cb 0.29 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 1b4c h ASP 54 CO 0.00 0.32 -0.35 0.11 -2.88 0.00 0.00 179.24 176.44 1b4c h LYS 55 N 0.63 0.00 0.55 0.28 1.57 -1.12 -2.84 116.57 115.64 1b4c h LYS 55 Ca 0.28 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.03 1b4c h LYS 55 Cb 0.17 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.49 1b4c h LYS 55 CO -0.18 0.35 -0.26 0.28 -0.57 0.00 0.00 179.45 179.07 1b4c h VAL 56 N 0.00 0.30 -0.52 0.50 2.07 -0.67 0.54 116.25 118.47 1b4c h VAL 56 Ca -0.00 -0.38 0.15 0.00 0.82 0.00 0.00 66.70 67.29 1b4c h VAL 56 Cb 0.82 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1b4c h VAL 56 CO 0.05 0.04 0.49 0.24 0.02 0.00 0.00 177.57 178.40 1b4c h MET 57 N -1.02 0.00 0.05 1.57 2.86 -1.32 0.48 114.93 117.56 1b4c h MET 57 Ca -0.08 0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.28 1b4c h MET 57 Cb 0.64 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 1b4c h MET 57 CO 0.12 0.00 -1.47 1.49 1.06 0.00 0.00 176.91 178.11 1b4c h GLU 58 N 0.00 0.11 -0.21 1.72 4.81 -1.21 -2.75 114.58 117.06 1b4c h GLU 58 Ca 0.25 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1b4c h GLU 58 Cb 1.22 0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 1b4c h GLU 58 CO -0.00 0.90 -0.15 1.15 -0.73 0.00 0.00 179.01 180.18 1b4c h THR 59 N 0.03 1.32 0.77 0.32 2.02 0.45 -0.51 112.91 117.31 1b4c h THR 59 Ca -0.21 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 65.67 1b4c h THR 59 Cb 1.96 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 70.05 1b4c h THR 59 CO 0.13 0.39 -0.43 -0.07 0.37 0.00 0.00 175.52 175.90 1b4c h LEU 60 N 0.16 -1.06 -1.86 2.58 -0.00 -0.70 -0.17 115.31 114.26 1b4c h LEU 60 Ca 0.04 0.05 0.08 0.00 -0.00 0.00 0.00 57.88 58.05 1b4c h LEU 60 Cb 0.67 0.30 -0.01 0.00 -0.00 0.00 0.00 40.66 41.62 1b4c h LEU 60 CO 0.04 -0.69 0.47 -0.78 -0.00 0.00 0.00 178.44 177.47 1b4c h ASP 61 N -1.12 0.00 -0.98 -0.43 1.82 -1.47 0.23 116.42 114.48 1b4c h ASP 61 Ca -0.10 0.00 -0.67 0.00 -0.39 0.00 0.00 57.03 55.87 1b4c h ASP 61 Cb 0.88 0.00 -0.30 0.00 0.68 0.00 0.00 39.33 40.59 1b4c h ASP 61 CO 0.13 0.00 0.72 -0.62 -1.61 0.00 0.00 179.24 177.86 1b4c n GLU 62 N -3.35 2.77 -0.35 0.28 -0.58 -0.10 -4.70 120.64 114.62 1b4c n GLU 62 Ca 0.05 -3.37 0.25 0.00 -0.42 0.00 0.00 57.16 53.67 1b4c n GLU 62 Cb 0.59 -2.29 0.50 0.00 -0.57 0.00 0.00 31.44 29.68 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 2.01 0.48 0.00 1.62 3.58 -0.25 -3.43 116.42 120.43 1b4c h ASP 63 Ca 0.59 0.18 0.00 0.00 0.42 0.00 0.00 57.03 58.21 1b4c h ASP 63 Cb 0.89 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1b4c h ASP 63 CO 1.52 -0.12 0.00 0.61 -2.88 0.00 0.00 179.24 178.36 1b4c n GLY 64 N -1.33 0.00 0.10 -0.78 0.00 -1.26 -4.53 105.19 97.38 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 1.34 0.00 0.00 0.00 173.32 174.66 1b4c n ASP 65 N 0.00 0.88 0.00 1.61 2.03 -1.26 -4.99 116.55 114.82 1b4c n ASP 65 Ca 0.00 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.37 1b4c n ASP 65 Cb 0.00 0.84 0.00 0.00 -0.72 0.00 0.00 41.12 41.24 1b4c n ASP 65 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4c n GLY 66 N 1.24 2.58 3.27 0.27 0.00 -1.26 -4.89 105.19 106.40 1b4c n GLY 66 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 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 0.42 -0.20 1.61 2.02 -1.26 -4.84 118.70 116.44 1b4c s GLU 67 Ca 0.00 0.70 -0.07 0.00 0.02 0.00 0.00 54.97 55.62 1b4c s GLU 67 Cb 0.00 0.06 -0.04 0.00 0.10 0.00 0.00 34.13 34.25 1b4c s GLU 67 CO 0.00 -0.12 0.06 0.00 0.02 0.00 0.00 175.26 175.22 1b4c n ASP 69 N 3.97 0.15 0.09 0.00 9.92 -1.26 -0.05 116.55 129.36 1b4c n ASP 69 Ca -0.16 -1.27 -0.06 0.00 -0.53 0.00 0.00 54.79 52.76 1b4c n ASP 69 Cb 0.52 -0.42 0.07 0.00 -0.64 0.00 0.00 41.12 40.65 1b4c n ASP 69 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1b4c h PHE 70 N -1.19 0.29 -0.67 1.24 3.04 -1.96 -2.93 116.94 114.77 1b4c h PHE 70 Ca -0.18 -0.13 0.01 0.00 3.98 0.00 0.00 57.97 61.65 1b4c h PHE 70 Cb 0.53 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.96 1b4c h PHE 70 CO 0.00 0.85 0.45 1.96 -2.02 0.00 0.00 178.31 179.55 1b4c h GLN 71 N 0.14 0.87 0.00 1.11 4.20 -1.98 -0.10 115.11 119.35 1b4c h GLN 71 Ca -0.02 -0.05 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 1b4c h GLN 71 Cb 1.26 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.83 1b4c h GLN 71 CO 0.11 0.58 -0.40 0.93 -0.67 0.00 0.00 178.83 179.38 1b4c h GLU 72 N 0.90 0.00 -0.01 1.46 5.08 -1.88 -2.69 114.58 117.43 1b4c h GLU 72 Ca 0.25 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.35 1b4c h GLU 72 Cb -0.08 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.19 1b4c h GLU 72 CO -0.06 0.40 -1.01 0.35 -1.00 0.00 0.00 179.01 177.69 1b4c h PHE 73 N 0.00 1.00 0.00 4.33 3.57 -0.93 -1.70 116.94 123.21 1b4c h PHE 73 Ca -0.00 -0.54 -0.07 0.00 3.53 0.00 0.00 57.97 60.89 1b4c h PHE 73 Cb 0.93 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1b4c h PHE 73 CO 0.00 1.37 -0.34 1.98 -2.23 0.00 0.00 178.31 179.09 1b4c h MET 74 N 0.39 0.00 0.08 1.11 4.05 -1.04 -1.48 114.93 118.04 1b4c h MET 74 Ca -0.12 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1b4c h MET 74 Cb 1.66 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.46 1b4c h MET 74 CO 0.20 0.34 -0.04 0.00 0.23 0.00 0.00 176.91 177.64 1b4c h ALA 75 N 1.66 -0.10 -0.52 0.39 0.00 -1.40 -2.61 119.26 116.69 1b4c h ALA 75 Ca -0.00 -0.24 0.08 0.00 0.00 0.00 0.00 54.91 54.75 1b4c h ALA 75 Cb 0.65 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1b4c h ALA 75 CO 0.04 -0.13 0.35 0.74 0.00 0.00 0.00 179.25 180.25 1b4c h PHE 76 N -0.95 0.36 -0.22 0.00 0.04 -1.31 0.87 116.94 115.73 1b4c h PHE 76 Ca -0.01 0.01 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 1b4c h PHE 76 Cb 0.52 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1b4c h PHE 76 CO 0.12 0.18 -0.35 0.28 -0.60 0.00 0.00 178.31 177.93 1b4c h VAL 77 N 0.35 1.29 0.15 -0.55 2.07 -1.32 -2.71 116.25 115.52 1b4c h VAL 77 Ca 0.23 -1.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1b4c h VAL 77 Cb 0.47 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1b4c h VAL 77 CO -0.06 0.46 -0.07 0.77 0.02 0.00 0.00 177.57 178.69 1b4c h SER 78 N 0.40 -0.17 -0.37 0.57 4.64 -0.46 -2.02 113.55 116.15 1b4c h SER 78 Ca 0.04 -0.36 0.08 0.00 -0.47 0.00 0.00 61.79 61.09 1b4c h SER 78 Cb 0.81 0.04 -0.08 0.00 -0.31 0.00 0.00 62.40 62.86 1b4c h SER 78 CO 0.07 0.32 -0.15 0.24 -0.87 0.00 0.00 176.83 176.43 1b4c h MET 79 N -0.71 -0.08 -0.77 4.77 2.07 -1.32 1.42 114.93 120.31 1b4c h MET 79 Ca -0.02 0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.63 1b4c h MET 79 Cb 0.51 0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.22 1b4c h MET 79 CO 0.03 -0.05 0.51 0.28 1.07 0.00 0.00 176.91 178.75 1b4c h VAL 80 N -0.08 1.17 -0.08 -2.22 2.07 -1.53 2.29 116.25 117.88 1b4c h VAL 80 Ca 0.18 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1b4c h VAL 80 Cb 0.36 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1b4c h VAL 80 CO -0.42 0.19 -0.07 0.74 0.02 0.00 0.00 177.57 178.02 1b4c h THR 81 N 1.02 1.36 0.00 2.57 2.02 -0.36 -2.91 112.91 116.61 1b4c h THR 81 Ca 0.29 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.26 1b4c h THR 81 Cb -0.08 1.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1b4c h THR 81 CO -0.08 0.34 0.00 0.71 0.37 0.00 0.00 175.52 176.86 1b4c h THR 82 N -0.22 0.00 -0.96 3.16 1.35 0.22 -3.14 112.91 113.32 1b4c h THR 82 Ca 0.01 -0.45 0.18 0.00 -0.55 0.00 0.00 66.41 65.60 1b4c h THR 82 Cb 0.58 1.34 -0.10 0.00 -1.73 0.00 0.00 68.15 68.24 1b4c h THR 82 CO 0.02 0.00 0.56 0.00 -0.25 0.00 0.00 175.52 175.85 1b4c h ALA 83 N 2.19 1.55 -0.73 6.62 0.00 0.41 -3.22 119.26 126.08 1b4c h ALA 83 Ca 0.00 0.08 -0.43 0.00 0.00 0.00 0.00 54.91 54.56 1b4c h ALA 83 Cb 0.55 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1b4c h ALA 83 CO 0.00 -0.06 1.25 0.00 0.00 0.00 0.00 179.25 180.43 1b4c n HIS 85 N 12.21 0.54 -3.36 0.00 1.44 -1.22 -2.21 115.22 122.63 1b4c n HIS 85 Ca 0.42 0.87 -0.19 0.00 -2.01 0.00 0.00 57.72 56.81 1b4c n HIS 85 Cb 0.47 -2.13 0.06 0.00 0.12 0.00 0.00 29.99 28.52 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 1.35 -1.95 0.22 -1.40 2.13 -1.26 -4.87 120.64 114.86 1b4c n GLU 86 Ca 0.17 0.77 0.08 0.00 0.66 0.00 0.00 57.16 58.84 1b4c n GLU 86 Cb 0.21 -5.36 0.48 0.00 0.27 0.00 0.00 31.44 27.04 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 -1.27 0.00 -0.85 4.31 -0.00 -1.80 -2.62 116.94 114.71 1b4c h PHE 87 Ca -0.61 0.00 0.18 0.00 -0.00 0.00 0.00 57.97 57.54 1b4c h PHE 87 Cb 1.32 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 37.21 1b4c h PHE 87 CO 0.31 0.27 0.56 0.74 -0.00 0.00 0.00 178.31 180.19 1b4c h PHE 88 N 0.00 0.51 0.00 6.09 0.04 -1.89 -2.99 116.94 118.70 1b4c h PHE 88 Ca -0.00 0.02 -0.52 0.00 2.80 0.00 0.00 57.97 60.26 1b4c h PHE 88 Cb 0.66 -0.16 0.02 0.00 2.20 0.00 0.00 35.95 38.67 1b4c h PHE 88 CO 0.00 0.16 2.77 -1.91 -0.60 0.00 0.00 178.31 178.72 1b4c n GLU 89 N -4.49 2.24 -2.39 1.51 2.13 -0.99 -4.89 120.64 113.77 1b4c n GLU 89 Ca 0.17 -1.78 -0.43 0.00 0.66 0.00 0.00 57.16 55.79 1b4c n GLU 89 Cb 0.64 -2.70 -0.02 0.00 0.27 0.00 0.00 31.44 29.62 1b4c n GLU 89 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1b4c s HIS 90 N 3.62 2.70 0.00 4.31 5.65 -1.13 -5.12 115.29 125.32 1b4c s HIS 90 Ca 0.49 0.89 0.00 0.00 0.25 0.00 0.00 55.06 56.70 1b4c s HIS 90 Cb 0.13 -3.71 0.00 0.00 -1.18 0.00 0.00 32.58 27.82 1b4c s HIS 90 CO -0.00 -1.87 0.00 -1.91 -0.65 0.00 0.00 174.74 170.31