#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1blq n SER 2 N 0.00 0.27 -0.12 0.00 3.41 -1.26 -4.88 113.62 111.04 1blq n SER 2 Ca 0.00 0.07 0.08 0.00 -0.26 0.00 0.00 58.87 58.76 1blq n SER 2 Cb 0.00 -0.06 0.11 0.00 -0.26 0.00 0.00 64.21 64.01 1blq n SER 2 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1blq n MET 3 N -2.83 1.19 0.00 4.33 2.81 -1.26 -4.01 117.12 117.35 1blq n MET 3 Ca 0.00 -2.29 0.00 0.00 -1.81 0.00 0.00 57.70 53.60 1blq n MET 3 Cb 0.00 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1blq n MET 3 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1blq n THR 4 N -1.18 0.00 -0.07 2.03 5.66 -1.26 -4.70 114.28 114.75 1blq n THR 4 Ca 0.13 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.91 1blq n THR 4 Cb 0.63 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.28 1blq n THR 4 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1blq n ASP 5 N 0.00 1.96 -0.29 1.09 -0.08 -1.26 -2.99 116.55 114.98 1blq n ASP 5 Ca 0.00 0.33 0.19 0.00 -1.51 0.00 0.00 54.79 53.80 1blq n ASP 5 Cb 0.00 -0.90 0.47 0.00 2.34 0.00 0.00 41.12 43.03 1blq n ASP 5 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1blq h GLN 6 N -0.62 0.46 0.00 -0.67 5.75 -1.90 0.42 115.11 118.55 1blq h GLN 6 Ca -0.41 -0.03 -0.15 0.00 -0.15 0.00 0.00 58.65 57.92 1blq h GLN 6 Cb 1.59 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 30.01 1blq h GLN 6 CO -0.13 0.30 -0.84 0.37 -2.65 0.00 0.00 178.83 175.89 1blq h GLN 7 N 0.47 0.00 -0.00 1.69 -0.00 -1.72 -3.18 115.11 112.37 1blq h GLN 7 Ca 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.18 1blq h GLN 7 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.71 1blq h GLN 7 CO -0.25 0.55 -0.00 0.00 0.00 0.00 0.00 178.83 179.13 1blq n ALA 8 N -2.30 2.67 -0.05 3.38 0.00 0.14 -3.29 120.51 121.05 1blq n ALA 8 Ca -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 53.44 53.16 1blq n ALA 8 Cb 0.81 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 1blq n ALA 8 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1blq h GLU 9 N 0.34 0.00 -0.80 0.00 5.08 -1.14 -3.31 114.58 114.75 1blq h GLU 9 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1blq h GLU 9 Cb 0.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1blq h GLU 9 CO 0.00 0.00 0.52 0.00 -1.00 0.00 0.00 179.01 178.53 1blq h ALA 10 N -1.15 1.04 -1.00 3.43 0.00 -1.70 -1.94 119.26 117.94 1blq h ALA 10 Ca 0.00 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.07 1blq h ALA 10 Cb 0.31 -0.29 -0.11 0.00 0.00 0.00 0.00 17.79 17.70 1blq h ALA 10 CO 0.00 0.36 0.61 0.00 0.00 0.00 0.00 179.25 180.23 1blq h ARG 11 N 1.03 0.71 0.00 0.00 3.08 -1.74 -1.95 114.38 115.51 1blq h ARG 11 Ca 0.31 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1blq h ARG 11 Cb -0.04 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.85 1blq h ARG 11 CO -0.09 0.47 0.00 0.00 -1.07 0.00 0.00 179.97 179.27 1blq n ALA 12 N -2.33 -0.03 -0.26 0.04 0.00 -0.73 -0.90 120.51 116.30 1blq n ALA 12 Ca 0.24 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.90 1blq n ALA 12 Cb 0.60 0.24 0.54 0.00 0.00 0.00 0.00 19.45 20.84 1blq n ALA 12 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1blq h PHE 13 N 0.00 0.49 -1.45 0.00 3.57 -1.66 -3.18 116.94 114.72 1blq h PHE 13 Ca 0.00 0.02 -0.70 0.00 3.53 0.00 0.00 57.97 60.81 1blq h PHE 13 Cb 0.00 -0.15 -0.12 0.00 2.79 0.00 0.00 35.95 38.47 1blq h PHE 13 CO -0.18 0.10 1.80 -0.51 -2.23 0.00 0.00 178.31 177.29 1blq s LEU 14 N -9.34 4.36 0.00 0.59 1.43 -0.08 -4.99 118.68 110.66 1blq s LEU 14 Ca -0.08 -2.65 -0.01 0.00 -1.03 0.00 0.00 54.13 50.37 1blq s LEU 14 Cb 0.23 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1blq s LEU 14 CO 0.79 -1.00 0.02 -0.24 0.23 0.00 0.00 176.35 176.15 1blq n SER 15 N 7.21 -1.71 0.25 2.29 2.88 -1.20 -4.59 113.62 118.76 1blq n SER 15 Ca 0.43 -0.02 0.13 0.00 -1.33 0.00 0.00 58.87 58.08 1blq n SER 15 Cb 0.45 -0.02 0.60 0.00 -0.75 0.00 0.00 64.21 64.48 1blq n SER 15 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1blq h GLU 16 N 0.00 0.00 0.00 -1.46 4.81 -1.93 -2.43 114.58 113.58 1blq h GLU 16 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1blq h GLU 16 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1blq h GLU 16 CO 0.01 0.12 0.00 1.49 -0.73 0.00 0.00 179.01 179.90 1blq h GLU 17 N 0.00 0.00 0.00 1.92 4.81 -1.98 -2.83 114.58 116.49 1blq h GLU 17 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1blq h GLU 17 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1blq h GLU 17 CO 0.02 0.00 0.00 -0.12 -0.73 0.00 0.00 179.01 178.18 1blq n MET 18 N -2.57 0.00 -0.51 1.92 1.56 -0.91 -4.28 117.12 112.33 1blq n MET 18 Ca 0.01 0.07 0.44 0.00 -0.27 0.00 0.00 57.70 57.95 1blq n MET 18 Cb 0.23 -0.38 0.70 0.00 2.15 0.00 0.00 33.22 35.92 1blq n MET 18 CO 0.00 0.00 0.00 0.82 -0.73 0.00 0.00 175.97 176.06 1blq h ILE 19 N 0.00 0.05 0.00 1.12 5.03 -1.70 -0.47 117.51 121.54 1blq h ILE 19 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.74 1blq h ILE 19 Cb 0.00 0.06 0.00 0.00 -3.03 0.00 0.00 36.82 33.85 1blq h ILE 19 CO 0.00 0.00 0.00 0.00 -0.68 0.00 0.00 178.15 177.47 1blq n ALA 20 N -2.69 -0.13 1.53 1.87 0.00 -1.07 -2.37 120.51 117.65 1blq n ALA 20 Ca 0.36 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.95 1blq n ALA 20 Cb 1.78 0.19 0.75 0.00 0.00 0.00 0.00 19.45 22.17 1blq n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1blq n GLU 21 N -1.65 0.62 0.11 0.00 1.02 -0.82 -3.46 120.64 116.46 1blq n GLU 21 Ca 0.00 -0.07 -0.02 0.00 -0.02 0.00 0.00 57.16 57.04 1blq n GLU 21 Cb 0.00 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.10 1blq n GLU 21 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1blq h PHE 22 N 0.18 0.17 0.00 -0.32 3.04 -0.75 -2.42 116.94 116.83 1blq h PHE 22 Ca 0.00 -0.06 0.00 0.00 3.98 0.00 0.00 57.97 61.89 1blq h PHE 22 Cb 0.25 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 38.73 1blq h PHE 22 CO 0.00 0.65 0.00 1.57 -2.02 0.00 0.00 178.31 178.51 1blq h LYS 23 N 0.10 0.00 0.15 1.11 2.10 -1.50 -2.34 116.57 116.20 1blq h LYS 23 Ca -0.00 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.35 1blq h LYS 23 Cb 1.00 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 32.36 1blq h LYS 23 CO 0.08 0.00 -1.27 0.00 -2.00 0.00 0.00 179.45 176.26 1blq h ALA 24 N 2.20 -0.05 -0.04 0.07 0.00 -1.63 -2.45 119.26 117.35 1blq h ALA 24 Ca 0.00 -0.78 -0.24 0.00 0.00 0.00 0.00 54.91 53.88 1blq h ALA 24 Cb 0.45 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1blq h ALA 24 CO 0.00 0.66 -0.94 0.00 0.00 0.00 0.00 179.25 178.97 1blq h ALA 25 N 0.24 0.25 -0.45 0.00 0.00 -1.50 -2.97 119.26 114.83 1blq h ALA 25 Ca -0.20 -0.67 -0.06 0.00 0.00 0.00 0.00 54.91 53.98 1blq h ALA 25 Cb 1.95 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 1blq h ALA 25 CO 0.24 0.72 0.06 0.35 0.00 0.00 0.00 179.25 180.62 1blq h PHE 26 N 0.39 0.80 0.00 0.00 3.04 -1.52 -1.77 116.94 117.88 1blq h PHE 26 Ca -0.10 -0.11 0.00 0.00 3.98 0.00 0.00 57.97 61.74 1blq h PHE 26 Cb 1.58 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.87 1blq h PHE 26 CO 0.09 0.76 0.00 -0.25 -2.02 0.00 0.00 178.31 176.88 1blq n ASP 27 N -4.46 0.00 -0.08 0.41 8.00 -0.92 -3.90 116.55 115.60 1blq n ASP 27 Ca 0.00 -0.19 -0.05 0.00 0.71 0.00 0.00 54.79 55.26 1blq n ASP 27 Cb 0.25 -0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.13 1blq n ASP 27 CO 0.00 0.00 0.00 0.24 -0.39 0.00 0.00 177.20 177.05 1blq h MET 28 N 0.00 -0.11 0.00 -1.24 2.86 -1.15 -3.27 114.93 112.02 1blq h MET 28 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1blq h MET 28 Cb 0.11 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1blq h MET 28 CO 0.00 -0.08 0.00 1.19 1.06 0.00 0.00 176.91 179.08 1blq n PHE 29 N -3.76 0.00 -1.90 -0.22 3.01 -1.25 -4.61 117.46 108.73 1blq n PHE 29 Ca -0.01 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.07 1blq n PHE 29 Cb 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 1blq n PHE 29 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1blq s ASP 30 N -1.08 5.10 0.00 4.37 1.11 -1.26 -4.75 116.67 120.16 1blq s ASP 30 Ca 0.00 0.63 0.00 0.00 0.18 0.00 0.00 52.55 53.36 1blq s ASP 30 Cb 0.00 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.47 1blq s ASP 30 CO 0.00 -2.46 0.00 0.00 1.18 0.00 0.00 175.17 173.89 1blq n ALA 31 N 13.40 1.56 0.27 5.23 0.00 -1.23 -4.07 120.51 135.67 1blq n ALA 31 Ca 0.25 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.82 1blq n ALA 31 Cb 0.52 0.00 0.78 0.00 0.00 0.00 0.00 19.45 20.75 1blq n ALA 31 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1blq h ASP 32 N 0.00 0.00 0.00 0.00 5.19 -1.89 -3.35 116.42 116.36 1blq h ASP 32 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1blq h ASP 32 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 1blq h ASP 32 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 1blq n GLY 33 N -1.21 -1.23 0.33 2.75 0.00 -1.26 -4.96 105.19 99.61 1blq n GLY 33 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1blq n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1blq n GLY 34 N 1.51 0.26 2.24 -0.02 0.00 -1.26 -5.06 105.19 102.87 1blq n GLY 34 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1blq n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1blq n GLY 35 N 0.00 -0.97 3.46 -0.02 0.00 -1.26 -4.85 105.19 101.55 1blq n GLY 35 Ca 0.00 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 1blq n GLY 35 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1blq s ASP 36 N -2.01 -0.01 -0.15 1.61 -4.77 -1.26 -3.56 116.67 106.51 1blq s ASP 36 Ca 0.10 -1.08 -0.18 0.00 -3.30 0.00 0.00 52.55 48.09 1blq s ASP 36 Cb -0.03 0.52 0.05 0.00 -1.09 0.00 0.00 42.92 42.37 1blq s ASP 36 CO 0.40 -1.04 0.49 -0.63 0.70 0.00 0.00 175.17 175.09 1blq s ILE 37 N -4.07 0.01 0.22 2.11 1.01 -0.95 -4.75 121.20 114.78 1blq s ILE 37 Ca 0.28 -0.06 0.08 0.00 0.00 0.00 0.00 60.65 60.95 1blq s ILE 37 Cb 0.02 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 1blq s ILE 37 CO 0.10 -0.03 0.05 -0.94 0.00 0.00 0.00 174.94 174.12 1blq s SER 38 N -0.05 4.92 0.63 3.58 1.04 -1.26 -2.66 113.70 119.91 1blq s SER 38 Ca -0.03 -0.42 0.24 0.00 0.48 0.00 0.00 55.95 56.23 1blq s SER 38 Cb -0.03 -1.08 1.22 0.00 0.10 0.00 0.00 66.02 66.22 1blq s SER 38 CO 0.02 0.03 1.68 0.00 0.98 0.00 0.00 173.24 175.95 1blq h THR 39 N 2.04 0.12 0.36 2.02 1.03 -1.92 -0.20 112.91 116.35 1blq h THR 39 Ca -0.46 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 65.92 1blq h THR 39 Cb 1.22 0.45 0.00 0.00 -1.07 0.00 0.00 68.15 68.76 1blq h THR 39 CO 0.60 0.00 -0.17 0.50 -0.01 0.00 0.00 175.52 176.43 1blq h LYS 40 N 0.00 -0.47 0.00 0.00 3.11 -1.92 -2.78 116.57 114.51 1blq h LYS 40 Ca 0.14 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.01 1blq h LYS 40 Cb 1.36 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.69 1blq h LYS 40 CO -0.00 -0.31 0.00 0.39 -2.81 0.00 0.00 179.45 176.72 1blq n GLU 41 N -3.61 0.12 0.12 1.90 4.71 -0.61 -1.50 120.64 121.77 1blq n GLU 41 Ca -0.06 0.46 -0.13 0.00 -0.01 0.00 0.00 57.16 57.42 1blq n GLU 41 Cb 0.19 -1.78 -0.06 0.00 -1.01 0.00 0.00 31.44 28.78 1blq n GLU 41 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1blq h LEU 42 N 0.00 -0.75 0.00 -4.62 -0.00 -0.78 -2.88 115.31 106.28 1blq h LEU 42 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 57.96 1blq h LEU 42 Cb 0.19 0.28 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1blq h LEU 42 CO 0.00 -0.36 -1.82 0.61 -0.00 0.00 0.00 178.44 176.87 1blq n GLY 43 N -1.38 -0.94 0.32 0.83 0.00 -1.15 -3.27 105.19 99.60 1blq n GLY 43 Ca -0.07 -0.50 -0.01 0.00 0.00 0.00 0.00 46.02 45.44 1blq n GLY 43 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1blq h THR 44 N 0.00 1.21 0.09 2.61 2.02 -1.26 1.64 112.91 119.22 1blq h THR 44 Ca 0.00 -0.60 -0.36 0.00 0.77 0.00 0.00 66.41 66.22 1blq h THR 44 Cb 0.89 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1blq h THR 44 CO 0.00 0.25 -2.03 0.52 0.37 0.00 0.00 175.52 174.63 1blq n VAL 45 N -4.34 1.71 0.31 3.16 0.31 -1.09 -3.56 118.33 114.82 1blq n VAL 45 Ca 0.06 -0.58 0.05 0.00 -0.01 0.00 0.00 64.34 63.85 1blq n VAL 45 Cb 0.14 -1.71 0.20 0.00 -0.91 0.00 0.00 33.84 31.56 1blq n VAL 45 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1blq n MET 46 N -3.55 0.01 0.12 5.55 0.00 -1.14 -1.86 117.12 116.24 1blq n MET 46 Ca -0.35 0.35 0.20 0.00 0.00 0.00 0.00 57.70 57.90 1blq n MET 46 Cb 1.00 -1.51 0.73 0.00 0.00 0.00 0.00 33.22 33.44 1blq n MET 46 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1blq h ARG 47 N 0.00 0.00 0.01 2.12 1.12 0.39 1.20 114.38 119.23 1blq h ARG 47 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.88 1blq h ARG 47 Cb 0.16 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.08 1blq h ARG 47 CO 0.00 0.00 -0.32 0.52 -3.11 0.00 0.00 179.97 177.06 1blq h MET 48 N 0.00 -0.39 -0.63 0.20 2.86 -1.62 -2.13 114.93 113.21 1blq h MET 48 Ca 0.18 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1blq h MET 48 Cb 1.12 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1blq h MET 48 CO -0.00 -0.26 0.00 1.47 1.06 0.00 0.00 176.91 179.18 1blq n LEU 49 N -4.25 4.00 0.00 1.22 -0.00 0.90 -4.93 117.00 113.94 1blq n LEU 49 Ca -0.04 -2.02 0.00 0.00 -0.00 0.00 0.00 56.01 53.95 1blq n LEU 49 Cb 0.24 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 1blq n LEU 49 CO 0.08 0.68 0.00 0.61 -0.00 0.00 0.00 177.39 178.75 1blq n GLY 50 N 0.98 2.77 0.00 1.47 0.00 0.38 -5.07 105.19 105.73 1blq n GLY 50 Ca 0.21 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.40 1blq n GLY 50 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1blq n GLN 51 N 0.00 0.00 -0.22 1.61 -0.06 -1.26 -1.22 117.38 116.23 1blq n GLN 51 Ca 0.00 0.00 0.21 0.00 -2.00 0.00 0.00 57.00 55.21 1blq n GLN 51 Cb 0.00 0.00 0.37 0.00 -4.06 0.00 0.00 30.24 26.55 1blq n GLN 51 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1blq n ASN 52 N 0.00 0.18 -4.49 1.69 3.02 -1.26 -4.27 115.26 110.13 1blq n ASN 52 Ca 0.00 0.92 -0.28 0.00 -0.03 0.00 0.00 54.58 55.19 1blq n ASN 52 Cb 0.00 -0.45 0.24 0.00 -0.61 0.00 0.00 39.78 38.96 1blq n ASN 52 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1blq s PRO 53 N -4.78 -0.76 0.57 3.52 0.04 -1.26 -4.99 135.00 127.34 1blq s PRO 53 Ca -0.05 0.66 -0.16 0.00 0.04 0.00 0.00 61.00 61.50 1blq s PRO 53 Cb 0.19 -1.59 -0.05 0.00 0.04 0.00 0.00 34.50 33.10 1blq s PRO 53 CO 0.47 -3.57 1.03 0.99 0.04 0.00 0.00 177.00 175.96 1blq s THR 54 N -2.60 4.16 0.34 1.26 2.01 -1.26 -4.93 115.64 114.62 1blq s THR 54 Ca 0.68 1.00 0.20 0.00 0.31 0.00 0.00 61.69 63.88 1blq s THR 54 Cb -0.23 -3.55 0.19 0.00 0.01 0.00 0.00 72.50 68.92 1blq s THR 54 CO 0.63 -0.62 1.91 0.07 -0.69 0.00 0.00 174.62 175.91 1blq h LYS 55 N 0.57 0.00 0.00 4.92 2.10 -1.93 -1.45 116.57 120.78 1blq h LYS 55 Ca -0.47 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.01 1blq h LYS 55 Cb 1.20 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.51 1blq h LYS 55 CO 0.59 0.26 -0.90 1.05 -2.00 0.00 0.00 179.45 178.45 1blq h GLU 56 N 0.00 0.00 0.00 0.07 -0.00 -1.92 -2.97 114.58 109.76 1blq h GLU 56 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1blq h GLU 56 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.32 1blq h GLU 56 CO 0.03 0.76 0.00 1.49 -0.00 0.00 0.00 179.01 181.29 1blq h GLU 57 N 0.00 0.00 -0.01 1.06 4.57 -1.67 -2.12 114.58 116.42 1blq h GLU 57 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1blq h GLU 57 Cb 1.65 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.24 1blq h GLU 57 CO 0.10 0.00 -0.09 1.28 -1.18 0.00 0.00 179.01 179.12 1blq n LEU 58 N -2.86 0.87 0.05 1.64 7.99 -0.67 -3.84 117.00 120.18 1blq n LEU 58 Ca 0.02 -0.22 -0.21 0.00 -0.01 0.00 0.00 56.01 55.59 1blq n LEU 58 Cb 0.37 -0.08 -0.11 0.00 -0.11 0.00 0.00 43.42 43.49 1blq n LEU 58 CO 0.28 0.15 0.04 -0.78 -1.51 0.00 0.00 177.39 175.58 1blq h ASP 59 N 1.23 0.91 -0.79 -1.43 1.82 -1.39 -3.13 116.42 113.64 1blq h ASP 59 Ca 0.00 -0.75 0.19 0.00 -0.39 0.00 0.00 57.03 56.07 1blq h ASP 59 Cb 0.38 -0.28 -0.13 0.00 0.68 0.00 0.00 39.33 39.99 1blq h ASP 59 CO 0.00 1.55 0.14 0.00 -1.61 0.00 0.00 179.24 179.32 1blq h ALA 60 N 0.38 0.99 -0.35 -0.78 0.00 -1.72 0.86 119.26 118.64 1blq h ALA 60 Ca -0.14 0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1blq h ALA 60 Cb 1.75 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 1blq h ALA 60 CO 0.21 -0.40 -0.14 0.82 0.00 0.00 0.00 179.25 179.75 1blq h ILE 61 N 0.20 1.25 0.00 0.00 5.03 -1.80 -0.96 117.51 121.23 1blq h ILE 61 Ca 0.46 -1.13 0.00 0.00 -0.12 0.00 0.00 64.86 64.07 1blq h ILE 61 Cb 0.83 1.13 0.00 0.00 -3.03 0.00 0.00 36.82 35.75 1blq h ILE 61 CO -0.60 0.37 0.00 0.00 -0.68 0.00 0.00 178.15 177.24 1blq n ILE 62 N -4.17 0.75 0.11 -0.67 0.00 0.26 -2.55 119.36 113.09 1blq n ILE 62 Ca 0.01 0.14 -0.02 0.00 0.00 0.00 0.00 62.75 62.87 1blq n ILE 62 Cb 0.35 -0.95 0.03 0.00 0.00 0.00 0.00 39.64 39.08 1blq n ILE 62 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1blq h GLU 63 N 0.00 0.00 -1.96 9.51 4.81 0.10 0.12 114.58 127.16 1blq h GLU 63 Ca 0.00 0.00 0.57 0.00 -0.13 0.00 0.00 59.36 59.80 1blq h GLU 63 Cb 0.40 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.69 1blq h GLU 63 CO 0.00 0.74 1.41 -0.85 -0.73 0.00 0.00 179.01 179.58 1blq n GLU 64 N -3.46 -0.00 0.00 1.92 -0.00 -1.06 -2.79 120.64 115.26 1blq n GLU 64 Ca 0.00 1.09 0.00 0.00 -0.00 0.00 0.00 57.16 58.25 1blq n GLU 64 Cb 0.77 -2.50 0.00 0.00 -0.00 0.00 0.00 31.44 29.72 1blq n GLU 64 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1blq n VAL 65 N -3.94 0.00 0.00 3.84 3.14 -1.23 -5.01 118.33 115.13 1blq n VAL 65 Ca 0.44 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.82 1blq n VAL 65 Cb 2.01 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 34.57 1blq n VAL 65 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1blq n ASP 66 N -1.41 0.00 0.00 6.55 -0.08 0.03 -4.94 116.55 116.70 1blq n ASP 66 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1blq n ASP 66 Cb 0.15 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.61 1blq n ASP 66 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1blq n GLU 67 N 0.00 0.00 -0.39 -0.67 -0.58 -1.26 -4.60 120.64 113.15 1blq n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1blq n GLU 67 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1blq n GLU 67 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1blq n ASP 68 N 0.00 0.00 0.00 1.62 8.00 -1.26 -4.87 116.55 120.04 1blq n ASP 68 Ca 0.00 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.21 1blq n ASP 68 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1blq n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1blq n GLY 69 N 0.00 0.39 0.42 0.44 0.00 -1.26 -5.05 105.19 100.13 1blq n GLY 69 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1blq n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1blq n SER 70 N 0.00 -0.73 -4.52 1.61 7.64 -1.26 -5.05 113.62 111.31 1blq n SER 70 Ca 0.00 0.51 -0.16 0.00 1.01 0.00 0.00 58.87 60.22 1blq n SER 70 Cb 0.00 1.04 -0.13 0.00 -1.01 0.00 0.00 64.21 64.10 1blq n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1blq n GLY 71 N -1.15 -0.30 1.79 0.23 0.00 -1.26 -4.87 105.19 99.64 1blq n GLY 71 Ca 0.00 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 1blq n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1blq n THR 72 N 7.37 0.00 -5.05 2.61 -2.24 -1.26 -3.70 114.28 112.01 1blq n THR 72 Ca 0.54 -0.44 -0.32 0.00 -2.27 0.00 0.00 64.05 61.56 1blq n THR 72 Cb 0.32 -1.71 -0.14 0.00 -2.10 0.00 0.00 70.33 66.69 1blq n THR 72 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1blq s ILE 73 N -2.32 2.63 0.00 2.28 -1.09 -1.09 -4.83 121.20 116.78 1blq s ILE 73 Ca 0.35 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.86 1blq s ILE 73 Cb -0.01 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.88 1blq s ILE 73 CO 0.25 0.57 0.00 0.47 -1.23 0.00 0.00 174.94 175.00 1blq n ASP 74 N 2.32 0.00 0.03 3.58 8.00 -1.26 -2.23 116.55 126.98 1blq n ASP 74 Ca -0.17 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.33 1blq n ASP 74 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.53 1blq n ASP 74 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1blq n PHE 75 N 0.00 0.97 -0.01 1.24 -1.74 -1.23 -3.17 117.46 113.52 1blq n PHE 75 Ca 0.00 0.33 -0.22 0.00 -0.56 0.00 0.00 57.45 57.00 1blq n PHE 75 Cb 0.00 -1.09 -0.14 0.00 1.52 0.00 0.00 39.48 39.78 1blq n PHE 75 CO 0.00 0.00 0.00 1.49 -0.56 0.00 0.00 176.76 177.69 1blq h GLU 76 N 0.00 0.23 0.00 3.97 4.57 -1.93 -3.34 114.58 118.07 1blq h GLU 76 Ca -0.17 -0.39 -0.03 0.00 -1.18 0.00 0.00 59.36 57.59 1blq h GLU 76 Cb 1.59 0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 30.33 1blq h GLU 76 CO 0.05 1.19 -0.12 0.93 -1.18 0.00 0.00 179.01 179.87 1blq h GLU 77 N -0.19 0.00 0.00 1.92 5.08 -1.86 -2.18 114.58 117.35 1blq h GLU 77 Ca -0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1blq h GLU 77 Cb 1.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.11 1blq h GLU 77 CO 0.04 0.12 0.00 0.35 -1.00 0.00 0.00 179.01 178.52 1blq h PHE 78 N 0.00 0.00 0.10 4.33 3.57 -1.67 -3.13 116.94 120.15 1blq h PHE 78 Ca -0.00 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.16 1blq h PHE 78 Cb 0.57 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1blq h PHE 78 CO 0.00 0.00 -1.88 1.28 -2.23 0.00 0.00 178.31 175.48 1blq n LEU 79 N -2.82 2.50 -0.33 0.59 4.77 -0.83 -3.93 117.00 116.94 1blq n LEU 79 Ca 0.01 0.24 0.11 0.00 -0.03 0.00 0.00 56.01 56.35 1blq n LEU 79 Cb 0.29 -1.09 0.29 0.00 -2.33 0.00 0.00 43.42 40.58 1blq n LEU 79 CO 0.25 0.75 1.16 -0.37 -1.33 0.00 0.00 177.39 177.85 1blq h VAL 80 N -0.14 0.70 -0.08 4.08 -1.51 -1.48 0.23 116.25 118.06 1blq h VAL 80 Ca -0.42 -0.24 -0.08 0.00 -1.23 0.00 0.00 66.70 64.73 1blq h VAL 80 Cb 1.89 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 1blq h VAL 80 CO 0.02 0.13 -0.33 0.00 -1.23 0.00 0.00 177.57 176.16 1blq h MET 81 N 0.70 0.15 0.12 5.19 -0.00 -1.72 -1.86 114.93 117.51 1blq h MET 81 Ca 0.54 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.70 60.18 1blq h MET 81 Cb 0.84 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.43 1blq h MET 81 CO -0.39 0.47 -0.06 0.52 -0.00 0.00 0.00 176.91 177.45 1blq h MET 82 N 0.13 -0.15 -0.25 -0.10 2.07 -0.72 -3.23 114.93 112.68 1blq h MET 82 Ca 0.02 0.01 0.07 0.00 -2.07 0.00 0.00 59.70 57.73 1blq h MET 82 Cb 0.65 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 30.40 1blq h MET 82 CO 0.05 -0.10 0.49 0.28 1.07 0.00 0.00 176.91 178.70 1blq h VAL 83 N -0.53 0.16 0.00 -2.22 2.07 -1.29 -3.19 116.25 111.25 1blq h VAL 83 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1blq h VAL 83 Cb 0.12 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1blq h VAL 83 CO 0.03 0.00 0.00 0.54 0.02 0.00 0.00 177.57 178.16 1blq n ARG 84 N -3.23 0.00 -2.08 1.57 1.74 -0.70 -3.75 116.66 110.20 1blq n ARG 84 Ca 0.04 0.04 -0.36 0.00 -0.77 0.00 0.00 57.85 56.80 1blq n ARG 84 Cb 0.61 -0.56 -0.04 0.00 -1.02 0.00 0.00 32.46 31.46 1blq n ARG 84 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1blq s GLN 85 N -0.12 2.66 -0.03 5.56 2.00 -1.21 -4.77 119.66 123.75 1blq s GLN 85 Ca 0.00 0.29 -0.07 0.00 -2.00 0.00 0.00 55.36 53.58 1blq s GLN 85 Cb 0.00 -4.57 -0.29 0.00 0.80 0.00 0.00 33.01 28.95 1blq s GLN 85 CO 0.00 -2.85 0.72 0.52 -0.50 0.00 0.00 175.29 173.17 1blq h MET 86 N 13.63 0.31 -0.15 1.67 2.86 -1.79 -3.20 114.93 128.25 1blq h MET 86 Ca -0.16 -0.53 -0.10 0.00 -2.06 0.00 0.00 59.70 56.84 1blq h MET 86 Cb 1.11 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.97 1blq h MET 86 CO 1.22 1.20 -0.31 0.87 1.06 0.00 0.00 176.91 180.95 1blq h LYS 87 N 0.09 0.48 0.00 1.72 1.57 -1.93 -2.59 116.57 115.90 1blq h LYS 87 Ca -0.31 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.16 1blq h LYS 87 Cb 2.06 0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.41 1blq h LYS 87 CO 0.16 0.92 0.00 0.39 -0.57 0.00 0.00 179.45 180.35 1blq n GLU 88 N -4.37 0.12 -1.35 3.15 1.02 -1.26 -4.78 120.64 113.18 1blq n GLU 88 Ca -0.06 0.59 -0.12 0.00 -0.02 0.00 0.00 57.16 57.55 1blq n GLU 88 Cb 0.48 -1.87 -0.05 0.00 -0.02 0.00 0.00 31.44 29.97 1blq n GLU 88 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1blq n ASP 89 N -2.13 -4.98 -0.34 1.62 9.92 -0.98 -5.13 116.55 114.54 1blq n ASP 89 Ca -0.01 0.30 0.15 0.00 -0.53 0.00 0.00 54.79 54.69 1blq n ASP 89 Cb 0.05 -3.53 0.65 0.00 -0.64 0.00 0.00 41.12 37.65 1blq n ASP 89 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33