#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 -0.33 -1.06 0.00 2.88 -1.26 -3.31 113.62 110.55 1blq n SER 2 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 1blq n SER 2 Cb 0.00 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 63.65 1blq n SER 2 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1blq n MET 3 N 0.00 2.65 0.00 -1.46 0.00 -1.26 -4.00 117.12 113.05 1blq n MET 3 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 57.70 56.21 1blq n MET 3 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 33.22 31.49 1blq n MET 3 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1blq n THR 4 N 0.37 0.00 0.34 2.03 -1.04 -1.21 -3.35 114.28 111.42 1blq n THR 4 Ca 0.13 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.31 1blq n THR 4 Cb 0.61 -0.08 0.89 0.00 -1.82 0.00 0.00 70.33 69.94 1blq n THR 4 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1blq h ASP 5 N 0.00 0.00 -0.29 8.00 3.32 -1.80 -0.26 116.42 125.38 1blq h ASP 5 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1blq h ASP 5 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1blq h ASP 5 CO 0.00 0.00 0.17 -0.61 -1.72 0.00 0.00 179.24 177.08 1blq h GLN 6 N 0.00 0.40 0.00 3.56 4.15 -1.73 -0.84 115.11 120.66 1blq h GLN 6 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.38 1blq h GLN 6 Cb 0.55 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.16 1blq h GLN 6 CO 0.00 0.33 -0.16 0.00 -1.93 0.00 0.00 178.83 177.06 1blq n GLN 7 N -4.84 0.02 0.08 1.69 10.64 -0.14 -3.30 117.38 121.53 1blq n GLN 7 Ca -0.02 0.01 0.12 0.00 -1.83 0.00 0.00 57.00 55.28 1blq n GLN 7 Cb 0.06 -1.52 0.09 0.00 -0.86 0.00 0.00 30.24 28.01 1blq n GLN 7 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1blq h ALA 8 N 2.97 0.53 0.00 2.61 0.00 -0.99 -3.12 119.26 121.25 1blq h ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1blq h ALA 8 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1blq h ALA 8 CO 0.00 0.00 -0.03 0.93 0.00 0.00 0.00 179.25 180.15 1blq h GLU 9 N 0.00 0.00 -0.25 0.00 4.39 -1.17 -3.17 114.58 114.39 1blq h GLU 9 Ca 0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 1blq h GLU 9 Cb 0.85 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.47 1blq h GLU 9 CO 0.00 0.00 0.06 0.00 -1.16 0.00 0.00 179.01 177.91 1blq h ALA 10 N -1.77 0.26 -0.42 3.43 0.00 -1.77 -0.51 119.26 118.48 1blq h ALA 10 Ca 0.00 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1blq h ALA 10 Cb 0.03 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1blq h ALA 10 CO 0.00 -0.36 0.40 -0.09 0.00 0.00 0.00 179.25 179.21 1blq h ARG 11 N 0.16 0.00 -0.89 0.00 2.43 -1.74 -0.90 114.38 113.44 1blq h ARG 11 Ca 0.11 0.00 0.15 0.00 -0.81 0.00 0.00 59.98 59.43 1blq h ARG 11 Cb 0.10 0.00 -0.09 0.00 -0.42 0.00 0.00 29.97 29.56 1blq h ARG 11 CO -0.14 0.00 0.49 0.00 -1.51 0.00 0.00 179.97 178.81 1blq h ALA 12 N 1.58 1.37 0.02 2.80 0.00 -1.05 -1.72 119.26 122.27 1blq h ALA 12 Ca 0.20 0.08 -0.28 0.00 0.00 0.00 0.00 54.91 54.91 1blq h ALA 12 Cb 1.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1blq h ALA 12 CO -0.00 -0.04 -1.54 0.74 0.00 0.00 0.00 179.25 178.41 1blq h PHE 13 N 0.69 0.08 -1.52 0.00 0.04 -1.29 -3.40 116.94 111.55 1blq h PHE 13 Ca 0.48 -0.06 -0.71 0.00 2.80 0.00 0.00 57.97 60.49 1blq h PHE 13 Cb 0.67 -0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.69 1blq h PHE 13 CO -0.07 1.09 1.78 -0.51 -0.60 0.00 0.00 178.31 180.00 1blq s LEU 14 N -6.39 4.44 1.03 1.54 1.43 -0.64 -4.99 118.68 115.09 1blq s LEU 14 Ca -0.05 -2.72 -0.23 0.00 -1.03 0.00 0.00 54.13 50.10 1blq s LEU 14 Cb 0.08 -2.49 -0.10 0.00 0.03 0.00 0.00 46.19 43.72 1blq s LEU 14 CO 0.82 -0.96 -0.94 -1.20 0.23 0.00 0.00 176.35 174.30 1blq n SER 15 N 7.02 -3.13 0.27 2.29 7.64 -1.25 -4.52 113.62 121.94 1blq n SER 15 Ca 0.43 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.43 1blq n SER 15 Cb 0.44 -0.69 0.76 0.00 -1.01 0.00 0.00 64.21 63.72 1blq n SER 15 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1blq h GLU 16 N -1.33 0.00 -0.11 1.43 4.81 -1.94 -1.82 114.58 115.61 1blq h GLU 16 Ca -0.44 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.63 1blq h GLU 16 Cb 1.37 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 1blq h GLU 16 CO 0.27 0.08 -0.63 1.49 -0.73 0.00 0.00 179.01 179.49 1blq h GLU 17 N 0.00 0.40 0.30 1.92 4.81 -1.99 -1.87 114.58 118.15 1blq h GLU 17 Ca -0.00 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1blq h GLU 17 Cb 0.21 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1blq h GLU 17 CO 0.01 0.90 -0.15 1.98 -0.73 0.00 0.00 179.01 181.03 1blq h MET 18 N 0.30 -0.39 -0.18 1.92 4.05 -1.60 -2.81 114.93 116.22 1blq h MET 18 Ca -0.01 0.03 -0.04 0.00 -0.28 0.00 0.00 59.70 59.40 1blq h MET 18 Cb 1.17 0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 32.05 1blq h MET 18 CO 0.11 -0.13 -0.05 0.82 0.23 0.00 0.00 176.91 177.89 1blq h ILE 19 N -0.62 1.15 -0.85 1.77 2.04 -1.58 -1.90 117.51 117.52 1blq h ILE 19 Ca -0.04 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.31 1blq h ILE 19 Cb 0.44 1.07 -0.06 0.00 -0.74 0.00 0.00 36.82 37.54 1blq h ILE 19 CO 0.07 0.19 0.55 0.00 0.00 0.00 0.00 178.15 178.96 1blq h ALA 20 N 1.70 1.68 0.00 1.87 0.00 -1.09 0.10 119.26 123.53 1blq h ALA 20 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1blq h ALA 20 Cb 0.26 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1blq h ALA 20 CO 0.01 0.14 -0.55 0.39 0.00 0.00 0.00 179.25 179.25 1blq n GLU 21 N -4.52 0.20 0.18 0.00 4.71 -0.78 -3.66 120.64 116.77 1blq n GLU 21 Ca 0.14 0.06 0.12 0.00 -0.01 0.00 0.00 57.16 57.47 1blq n GLU 21 Cb 0.31 -1.63 0.11 0.00 -1.01 0.00 0.00 31.44 29.22 1blq n GLU 21 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1blq h PHE 22 N 0.00 0.00 0.00 -0.32 3.57 -0.15 -3.20 116.94 116.84 1blq h PHE 22 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1blq h PHE 22 Cb 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1blq h PHE 22 CO 0.00 0.01 0.00 0.36 -2.23 0.00 0.00 178.31 176.45 1blq n LYS 23 N -2.95 0.59 -0.08 1.11 -0.00 -0.51 -2.83 118.16 113.49 1blq n LYS 23 Ca 0.03 0.02 -0.11 0.00 -0.00 0.00 0.00 58.31 58.25 1blq n LYS 23 Cb 0.54 -1.50 -0.06 0.00 -0.00 0.00 0.00 35.03 34.01 1blq n LYS 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1blq h ALA 24 N 3.29 0.08 0.00 0.58 0.00 -1.77 -3.08 119.26 118.36 1blq h ALA 24 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1blq h ALA 24 Cb 0.06 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1blq h ALA 24 CO 0.00 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1blq n ALA 25 N -3.20 1.89 -0.01 0.00 0.00 -1.23 -2.77 120.51 115.20 1blq n ALA 25 Ca -0.14 -0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 1blq n ALA 25 Cb 0.38 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 1blq n ALA 25 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1blq h PHE 26 N 0.00 0.06 0.00 0.00 3.57 -1.65 -3.33 116.94 115.59 1blq h PHE 26 Ca 0.00 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.39 1blq h PHE 26 Cb 0.35 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1blq h PHE 26 CO 0.00 1.09 -0.30 -0.44 -2.23 0.00 0.00 178.31 176.43 1blq h ASP 27 N 0.01 0.00 0.83 0.41 3.32 -1.42 -2.47 116.42 117.10 1blq h ASP 27 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1blq h ASP 27 Cb 2.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.55 1blq h ASP 27 CO 0.09 0.30 0.00 0.24 -1.72 0.00 0.00 179.24 178.15 1blq h MET 28 N 0.00 0.00 0.00 3.56 2.86 -1.67 -3.32 114.93 116.36 1blq h MET 28 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1blq h MET 28 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1blq h MET 28 CO 0.04 0.00 -0.06 1.19 1.06 0.00 0.00 176.91 179.14 1blq n PHE 29 N -2.75 0.10 -1.25 -0.22 3.01 -0.94 -4.93 117.46 110.49 1blq n PHE 29 Ca 0.01 0.04 -0.38 0.00 1.01 0.00 0.00 57.45 58.13 1blq n PHE 29 Cb 0.26 -0.31 0.02 0.00 -0.01 0.00 0.00 39.48 39.44 1blq n PHE 29 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1blq n ASP 30 N -2.51 -3.53 0.08 4.37 5.75 -1.17 -4.85 116.55 114.69 1blq n ASP 30 Ca -0.01 0.62 0.00 0.00 -0.01 0.00 0.00 54.79 55.39 1blq n ASP 30 Cb 0.03 -0.89 0.00 0.00 -1.03 0.00 0.00 41.12 39.23 1blq n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1blq n ALA 31 N -1.66 0.00 -0.87 2.12 0.00 -1.26 -4.93 120.51 113.91 1blq n ALA 31 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.35 1blq n ALA 31 Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.97 1blq n ALA 31 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1blq n ASP 32 N -2.75 6.39 0.00 0.00 9.92 -1.26 -4.45 116.55 124.40 1blq n ASP 32 Ca 0.00 -3.05 0.00 0.00 -0.53 0.00 0.00 54.79 51.21 1blq n ASP 32 Cb 0.00 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 1blq n ASP 32 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1blq n GLY 33 N 0.36 -1.21 0.00 0.44 0.00 -1.26 -5.09 105.19 98.43 1blq n GLY 33 Ca 0.29 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 -0.33 0.97 0.00 -0.02 0.00 -1.26 -4.94 105.19 99.61 1blq n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.83 3.63 -0.02 0.00 -1.26 -5.09 105.19 103.27 1blq n GLY 35 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.15 -0.12 -0.00 1.61 -4.77 -1.26 -4.48 116.67 106.50 1blq s ASP 36 Ca 0.00 0.13 0.02 0.00 -3.30 0.00 0.00 52.55 49.40 1blq s ASP 36 Cb 0.00 0.10 -0.01 0.00 -1.09 0.00 0.00 42.92 41.93 1blq s ASP 36 CO 0.00 -0.10 -0.06 -0.63 0.70 0.00 0.00 175.17 175.07 1blq s ILE 37 N -0.98 0.49 0.35 2.11 1.01 -0.75 -4.45 121.20 118.97 1blq s ILE 37 Ca 0.06 -0.30 0.07 0.00 0.00 0.00 0.00 60.65 60.48 1blq s ILE 37 Cb -0.01 -0.42 -0.01 0.00 0.01 0.00 0.00 42.46 42.03 1blq s ILE 37 CO -0.06 0.11 0.41 -0.44 0.00 0.00 0.00 174.94 174.96 1blq s SER 38 N -0.21 5.64 0.40 3.58 0.01 -1.26 -2.05 113.70 119.81 1blq s SER 38 Ca 0.02 -0.35 0.26 0.00 1.31 0.00 0.00 55.95 57.18 1blq s SER 38 Cb -0.03 -1.05 1.40 0.00 0.21 0.00 0.00 66.02 66.55 1blq s SER 38 CO -0.00 -0.44 1.78 0.71 0.41 0.00 0.00 173.24 175.70 1blq h THR 39 N 1.01 0.00 0.22 1.44 1.35 -1.94 -0.72 112.91 114.27 1blq h THR 39 Ca -0.45 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 1blq h THR 39 Cb 1.26 0.57 -0.01 0.00 -1.73 0.00 0.00 68.15 68.24 1blq h THR 39 CO 0.54 0.00 -0.18 0.50 -0.25 0.00 0.00 175.52 176.13 1blq h LYS 40 N 0.00 -0.37 0.11 4.72 3.64 -1.92 -1.77 116.57 120.97 1blq h LYS 40 Ca 0.00 0.03 -0.25 0.00 -1.27 0.00 0.00 60.65 59.15 1blq h LYS 40 Cb 0.05 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1blq h LYS 40 CO 0.00 -0.25 -1.28 0.93 -2.27 0.00 0.00 179.45 176.58 1blq h GLU 41 N -0.39 0.22 -1.45 1.90 5.08 -1.93 -2.80 114.58 115.21 1blq h GLU 41 Ca -0.03 -0.38 0.42 0.00 -1.00 0.00 0.00 59.36 58.37 1blq h GLU 41 Cb 0.33 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.66 1blq h GLU 41 CO -0.00 1.18 1.05 1.25 -1.00 0.00 0.00 179.01 181.49 1blq h LEU 42 N -0.38 0.00 0.00 1.33 5.85 -1.24 0.66 115.31 121.53 1blq h LEU 42 Ca -0.28 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.13 1blq h LEU 42 Cb 1.69 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.66 1blq h LEU 42 CO 0.05 0.00 -2.04 0.61 -0.34 0.00 0.00 178.44 176.72 1blq n GLY 43 N -1.82 -1.01 0.02 3.75 0.00 -0.66 -3.93 105.19 101.54 1blq n GLY 43 Ca 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -1.48 2.61 2.02 0.36 -1.70 112.91 114.73 1blq h THR 44 Ca -0.40 -0.34 0.43 0.00 0.77 0.00 0.00 66.41 66.87 1blq h THR 44 Cb 2.09 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 68.44 1blq h THR 44 CO 0.05 0.00 1.11 0.58 0.37 0.00 0.00 175.52 177.63 1blq h VAL 45 N -0.34 0.20 0.20 3.16 2.07 -0.53 0.93 116.25 121.95 1blq h VAL 45 Ca 0.00 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.18 1blq h VAL 45 Cb 0.09 0.22 0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1blq h VAL 45 CO 0.00 0.00 -1.66 -0.03 0.02 0.00 0.00 177.57 175.90 1blq h MET 46 N 0.00 0.43 0.00 1.57 -1.53 -1.68 -3.15 114.93 110.56 1blq h MET 46 Ca 0.70 -0.73 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1blq h MET 46 Cb 2.91 0.27 0.00 0.00 -0.55 0.00 0.00 31.60 34.23 1blq h MET 46 CO -0.01 1.34 0.00 -0.09 0.14 0.00 0.00 176.91 178.29 1blq h ARG 47 N 0.12 0.00 0.01 0.39 2.43 0.18 0.19 114.38 117.70 1blq h ARG 47 Ca -0.31 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 58.59 1blq h ARG 47 Cb 2.11 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.63 1blq h ARG 47 CO 0.21 0.00 -1.45 0.52 -1.51 0.00 0.00 179.97 177.73 1blq h MET 48 N 0.00 0.03 -0.00 0.20 2.86 -1.28 0.58 114.93 117.32 1blq h MET 48 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1blq h MET 48 Cb 0.04 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1blq h MET 48 CO 0.00 0.74 -0.40 1.28 1.06 0.00 0.00 176.91 179.59 1blq n LEU 49 N -3.20 0.86 -0.87 1.22 4.77 -0.15 -4.57 117.00 115.07 1blq n LEU 49 Ca -0.11 -0.19 -0.01 0.00 -0.03 0.00 0.00 56.01 55.67 1blq n LEU 49 Cb 1.01 -0.16 -0.00 0.00 -2.33 0.00 0.00 43.42 41.94 1blq n LEU 49 CO 0.46 0.18 0.12 0.61 -1.33 0.00 0.00 177.39 177.43 1blq n GLY 50 N 1.42 -0.38 0.00 -0.72 0.00 0.48 -5.05 105.19 100.93 1blq n GLY 50 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.07 0.00 -0.04 1.61 7.27 0.20 -3.43 117.38 122.93 1blq n GLN 51 Ca -0.04 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.04 1blq n GLN 51 Cb 0.38 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.06 1blq n GLN 51 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1blq n ASN 52 N 0.00 -0.03 -4.58 1.69 2.85 -1.26 -2.94 115.26 111.00 1blq n ASN 52 Ca 0.00 0.21 -0.20 0.00 -0.11 0.00 0.00 54.58 54.48 1blq n ASN 52 Cb 0.00 -0.07 -0.09 0.00 1.24 0.00 0.00 39.78 40.86 1blq n ASN 52 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1blq s PRO 53 N -4.95 1.74 1.10 1.20 0.04 -1.22 -4.89 135.00 128.03 1blq s PRO 53 Ca -0.02 -0.67 -0.13 0.00 0.04 0.00 0.00 61.00 60.22 1blq s PRO 53 Cb 0.04 -5.08 0.25 0.00 0.04 0.00 0.00 34.50 29.75 1blq s PRO 53 CO 0.10 -4.81 1.05 0.99 0.04 0.00 0.00 177.00 174.37 1blq s THR 54 N 14.41 2.04 0.37 1.26 2.01 -1.15 -3.95 115.64 130.64 1blq s THR 54 Ca 0.76 0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.82 1blq s THR 54 Cb -0.04 -2.24 0.25 0.00 0.01 0.00 0.00 72.50 70.48 1blq s THR 54 CO 0.15 -0.02 2.01 0.50 -0.69 0.00 0.00 174.62 176.57 1blq h LYS 55 N -2.35 0.67 0.00 4.92 1.63 -1.92 -0.85 116.57 118.67 1blq h LYS 55 Ca -0.59 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.16 1blq h LYS 55 Cb 1.33 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1blq h LYS 55 CO 0.53 0.48 -0.90 -0.85 -3.45 0.00 0.00 179.45 175.26 1blq n GLU 56 N -4.43 0.46 0.29 1.90 -0.00 -1.26 -3.72 120.64 113.88 1blq n GLU 56 Ca 0.04 0.09 0.16 0.00 -0.00 0.00 0.00 57.16 57.46 1blq n GLU 56 Cb 0.08 -1.74 0.87 0.00 -0.00 0.00 0.00 31.44 30.65 1blq n GLU 56 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1blq h GLU 57 N 0.00 0.00 0.00 3.44 4.57 -1.46 -0.57 114.58 120.56 1blq h GLU 57 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1blq h GLU 57 Cb 0.88 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1blq h GLU 57 CO 0.00 0.05 -0.59 -0.07 -1.18 0.00 0.00 179.01 177.22 1blq h LEU 58 N 0.00 0.00 -1.38 1.64 -0.00 -1.60 -3.25 115.31 110.71 1blq h LEU 58 Ca -0.00 -0.06 -0.05 0.00 -0.00 0.00 0.00 57.88 57.77 1blq h LEU 58 Cb 0.24 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 1blq h LEU 58 CO 0.01 0.03 -0.22 -0.78 -0.00 0.00 0.00 178.44 177.48 1blq h ASP 59 N 0.00 0.00 0.04 -0.43 1.82 -1.25 -2.55 116.42 114.04 1blq h ASP 59 Ca 0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1blq h ASP 59 Cb 0.91 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.92 1blq h ASP 59 CO 0.00 0.22 -0.02 0.00 -1.61 0.00 0.00 179.24 177.83 1blq h ALA 60 N 1.78 -0.06 -0.61 -0.78 0.00 -1.59 -2.42 119.26 115.58 1blq h ALA 60 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1blq h ALA 60 Cb 0.62 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1blq h ALA 60 CO 0.03 -0.49 0.14 0.82 0.00 0.00 0.00 179.25 179.75 1blq h ILE 61 N -0.14 1.25 -1.06 0.00 5.03 -1.71 -2.07 117.51 118.81 1blq h ILE 61 Ca -0.01 -0.93 0.28 0.00 -0.12 0.00 0.00 64.86 64.08 1blq h ILE 61 Cb 0.12 0.68 -0.08 0.00 -3.03 0.00 0.00 36.82 34.52 1blq h ILE 61 CO 0.01 0.35 0.71 0.40 -0.68 0.00 0.00 178.15 178.93 1blq h ILE 62 N 0.90 0.50 -0.17 -0.67 1.08 -1.13 0.28 117.51 118.31 1blq h ILE 62 Ca 0.19 -0.10 -0.03 0.00 -0.39 0.00 0.00 64.86 64.53 1blq h ILE 62 Cb 0.37 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 34.31 1blq h ILE 62 CO 0.00 0.05 -0.02 -0.08 -0.69 0.00 0.00 178.15 177.41 1blq h GLU 63 N 0.28 0.31 -1.49 2.37 4.57 -0.89 0.21 114.58 119.94 1blq h GLU 63 Ca 0.58 -0.11 -0.34 0.00 -1.18 0.00 0.00 59.36 58.31 1blq h GLU 63 Cb 1.68 -0.02 -0.15 0.00 -0.16 0.00 0.00 28.75 30.10 1blq h GLU 63 CO -0.22 0.56 0.44 -0.85 -1.18 0.00 0.00 179.01 177.76 1blq n GLU 64 N -4.70 1.85 0.05 1.92 0.28 0.93 -4.42 120.64 116.55 1blq n GLU 64 Ca -0.05 -1.65 0.00 0.00 -0.16 0.00 0.00 57.16 55.30 1blq n GLU 64 Cb 0.25 -1.65 0.00 0.00 1.43 0.00 0.00 31.44 31.47 1blq n GLU 64 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 1blq n VAL 65 N 0.27 0.00 -1.50 3.84 0.31 -0.78 -5.00 118.33 115.47 1blq n VAL 65 Ca 0.32 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.49 1blq n VAL 65 Cb 0.59 -0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 33.40 1blq n VAL 65 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1blq n ASP 66 N -2.68 0.36 -0.07 4.52 2.03 0.71 -4.58 116.55 116.83 1blq n ASP 66 Ca 0.00 -1.27 -0.10 0.00 0.52 0.00 0.00 54.79 53.95 1blq n ASP 66 Cb 0.00 -1.21 -0.03 0.00 -0.72 0.00 0.00 41.12 39.16 1blq n ASP 66 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1blq n GLU 67 N 7.30 0.42 -0.27 -0.67 4.07 -1.26 -4.59 120.64 125.64 1blq n GLU 67 Ca 0.50 0.17 0.03 0.00 -0.06 0.00 0.00 57.16 57.81 1blq n GLU 67 Cb 0.34 -1.24 0.12 0.00 -0.06 0.00 0.00 31.44 30.60 1blq n GLU 67 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 1blq h ASP 68 N -0.78 -0.58 0.00 4.31 2.03 -2.01 -3.45 116.42 115.93 1blq h ASP 68 Ca -0.09 0.22 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 1blq h ASP 68 Cb 0.90 0.43 0.00 0.00 -0.83 0.00 0.00 39.33 39.83 1blq h ASP 68 CO -0.06 -0.23 0.00 0.61 -1.03 0.00 0.00 179.24 178.53 1blq n GLY 69 N -1.47 0.15 0.00 7.15 0.00 -1.26 -5.07 105.19 104.68 1blq n GLY 69 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 2.83 -1.16 1.61 7.64 -1.26 -5.05 113.62 118.23 1blq n SER 70 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1blq n SER 70 Cb 0.00 0.06 0.02 0.00 -1.01 0.00 0.00 64.21 63.28 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 2.74 0.59 0.00 0.23 0.00 -1.26 -5.02 105.19 102.47 1blq n GLY 71 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.67 0.00 -3.82 2.61 -2.24 -1.26 -4.40 114.28 102.50 1blq n THR 72 Ca -0.01 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.66 1blq n THR 72 Cb 0.52 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.80 0.10 0.30 2.28 1.01 -0.87 -4.55 121.20 117.67 1blq s ILE 73 Ca 0.00 -0.82 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 1blq s ILE 73 Cb 0.00 -0.90 0.03 0.00 0.01 0.00 0.00 42.46 41.60 1blq s ILE 73 CO 0.00 -0.45 0.53 -0.90 0.00 0.00 0.00 174.94 174.12 1blq n ASP 74 N 0.68 -1.52 0.27 3.58 5.68 -1.26 -1.82 116.55 122.17 1blq n ASP 74 Ca -0.19 -2.35 0.15 0.00 -0.50 0.00 0.00 54.79 51.90 1blq n ASP 74 Cb 0.59 2.61 0.68 0.00 -1.14 0.00 0.00 41.12 43.86 1blq n ASP 74 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1blq h PHE 75 N 1.79 0.00 0.00 2.11 -1.00 -1.96 0.39 116.94 118.26 1blq h PHE 75 Ca -0.24 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.54 1blq h PHE 75 Cb 0.96 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.52 1blq h PHE 75 CO 0.00 0.00 0.00 0.39 -1.61 0.00 0.00 178.31 177.09 1blq n GLU 76 N -3.00 0.00 0.01 1.51 1.02 -1.26 -3.51 120.64 115.41 1blq n GLU 76 Ca 0.01 0.28 -0.13 0.00 -0.02 0.00 0.00 57.16 57.30 1blq n GLU 76 Cb 0.55 -0.95 -0.09 0.00 -0.02 0.00 0.00 31.44 30.92 1blq n GLU 76 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1blq h GLU 77 N 0.00 -0.06 -1.30 3.49 5.08 -1.89 -3.07 114.58 116.84 1blq h GLU 77 Ca 0.00 0.00 0.43 0.00 -1.00 0.00 0.00 59.36 58.79 1blq h GLU 77 Cb 0.00 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.15 1blq h GLU 77 CO 0.00 0.40 0.86 0.34 -1.00 0.00 0.00 179.01 179.61 1blq n PHE 78 N -4.89 0.48 0.06 4.33 -0.00 0.13 0.13 117.46 117.70 1blq n PHE 78 Ca -0.08 0.48 -0.21 0.00 -0.00 0.00 0.00 57.45 57.64 1blq n PHE 78 Cb 0.25 -0.91 -0.15 0.00 -0.00 0.00 0.00 39.48 38.67 1blq n PHE 78 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1blq h LEU 79 N 0.00 0.50 0.00 -2.13 -0.00 -1.58 -3.20 115.31 108.91 1blq h LEU 79 Ca 0.77 -0.94 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1blq h LEU 79 Cb 2.62 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 43.12 1blq h LEU 79 CO -0.32 1.44 0.00 1.33 -0.00 0.00 0.00 178.44 180.89 1blq n VAL 80 N -4.07 1.02 0.00 1.22 0.24 0.34 -2.50 118.33 114.57 1blq n VAL 80 Ca -0.15 0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1blq n VAL 80 Cb 0.86 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 1blq n VAL 80 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1blq n MET 81 N -1.40 0.00 0.19 7.34 2.81 -0.11 -2.65 117.12 123.30 1blq n MET 81 Ca 0.04 0.23 0.16 0.00 -1.81 0.00 0.00 57.70 56.32 1blq n MET 81 Cb 0.11 -0.67 0.62 0.00 -0.71 0.00 0.00 33.22 32.56 1blq n MET 81 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1blq h MET 82 N 0.00 0.00 0.17 0.03 -1.53 -1.62 0.24 114.93 112.22 1blq h MET 82 Ca 0.00 0.00 -0.23 0.00 -3.44 0.00 0.00 59.70 56.03 1blq h MET 82 Cb 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.07 1blq h MET 82 CO 0.00 0.00 -1.05 0.28 0.14 0.00 0.00 176.91 176.28 1blq h VAL 83 N 0.00 1.40 0.11 -5.77 2.07 -1.64 -3.37 116.25 109.05 1blq h VAL 83 Ca 0.13 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 65.09 1blq h VAL 83 Cb 1.30 3.11 -0.02 0.00 -1.52 0.00 0.00 31.29 34.16 1blq h VAL 83 CO -0.00 0.74 -0.26 -0.09 0.02 0.00 0.00 177.57 177.98 1blq h ARG 84 N -0.24 -0.40 -5.65 1.57 2.43 -0.28 -3.24 114.38 108.58 1blq h ARG 84 Ca -0.19 0.03 -0.36 0.00 -0.81 0.00 0.00 59.98 58.65 1blq h ARG 84 Cb 1.79 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 31.38 1blq h ARG 84 CO 0.17 -0.26 1.03 -0.65 -1.51 0.00 0.00 179.97 178.75 1blq s GLN 85 N -4.39 2.70 -0.16 0.20 -0.21 -1.14 -4.66 119.66 112.00 1blq s GLN 85 Ca -0.08 -0.84 -0.12 0.00 0.02 0.00 0.00 55.36 54.34 1blq s GLN 85 Cb 0.03 -5.19 -0.23 0.00 1.00 0.00 0.00 33.01 28.61 1blq s GLN 85 CO 0.30 -3.47 0.29 -1.33 -2.12 0.00 0.00 175.29 168.96 1blq n MET 86 N 8.59 0.68 0.14 2.91 2.81 -1.23 -3.80 117.12 127.23 1blq n MET 86 Ca 0.42 0.38 0.00 0.00 -1.81 0.00 0.00 57.70 56.69 1blq n MET 86 Cb 0.47 -1.72 0.16 0.00 -0.71 0.00 0.00 33.22 31.42 1blq n MET 86 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1blq h LYS 87 N -0.35 0.00 0.00 0.03 2.10 -1.92 -2.70 116.57 113.73 1blq h LYS 87 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1blq h LYS 87 Cb 1.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.08 1blq h LYS 87 CO -0.04 0.60 0.00 0.39 -2.00 0.00 0.00 179.45 178.40 1blq n GLU 88 N -3.59 0.15 0.00 0.07 1.02 -1.26 -4.91 120.64 112.12 1blq n GLU 88 Ca -0.00 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1blq n GLU 88 Cb 0.65 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.57 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 -1.40 0.00 0.00 1.62 8.00 -1.02 -5.13 116.55 118.62 1blq n ASP 89 Ca 0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 1blq n ASP 89 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1blq n ASP 89 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81