#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpq s LEU 4 N 0.00 2.68 -0.07 1.34 1.43 0.05 -5.00 118.68 119.10 3bpq s LEU 4 Ca 0.00 -1.12 -0.01 0.00 -1.03 0.00 0.00 54.13 51.97 3bpq s LEU 4 Cb 0.00 -1.05 0.03 0.00 0.03 0.00 0.00 46.19 45.19 3bpq s LEU 4 CO 0.00 -0.10 -0.01 -0.36 0.23 0.00 0.00 176.35 176.10 3bpq s PHE 5 N -2.56 0.79 0.46 0.29 0.40 -1.26 -0.61 117.98 115.48 3bpq s PHE 5 Ca 0.31 -0.25 -0.25 0.00 -0.60 0.00 0.00 56.93 56.15 3bpq s PHE 5 Cb -0.01 -0.85 -0.08 0.00 0.51 0.00 0.00 43.02 42.60 3bpq s PHE 5 CO 0.16 -0.34 1.36 0.00 0.70 0.00 0.00 175.22 177.10 3bpq s ALA 6 N 1.82 3.14 0.27 5.36 0.00 -0.42 -4.91 121.76 127.04 3bpq s ALA 6 Ca 0.03 1.33 -0.01 0.00 0.00 0.00 0.00 51.96 53.31 3bpq s ALA 6 Cb -0.12 -3.54 0.59 0.00 0.00 0.00 0.00 23.12 20.05 3bpq s ALA 6 CO -0.05 -1.08 1.68 -0.22 0.00 0.00 0.00 175.76 176.09 3bpq h LYS 7 N 2.24 0.28 -0.93 0.00 3.11 -1.91 -1.57 116.57 117.80 3bpq h LYS 7 Ca -0.50 -0.02 0.07 0.00 -2.81 0.00 0.00 60.65 57.39 3bpq h LYS 7 Cb 1.26 -0.06 -0.07 0.00 -1.00 0.00 0.00 32.23 32.36 3bpq h LYS 7 CO 0.61 0.19 0.58 1.15 -2.81 0.00 0.00 179.45 179.17 3bpq h THR 8 N 0.29 1.04 -0.97 1.00 2.02 -1.91 -2.04 112.91 112.34 3bpq h THR 8 Ca 0.49 -0.36 0.32 0.00 0.77 0.00 0.00 66.41 67.63 3bpq h THR 8 Cb 0.90 -0.09 -0.16 0.00 -1.74 0.00 0.00 68.15 67.05 3bpq h THR 8 CO -0.55 0.19 0.41 0.15 0.37 0.00 0.00 175.52 176.09 3bpq h PHE 9 N 1.05 0.64 -0.48 3.16 3.57 -1.13 0.14 116.94 123.88 3bpq h PHE 9 Ca 0.41 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.92 3bpq h PHE 9 Cb 0.20 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3bpq h PHE 9 CO -0.02 -0.30 0.18 0.28 -2.23 0.00 0.00 178.31 176.22 3bpq h VAL 10 N 0.17 1.21 -0.63 1.41 2.07 -1.46 -0.18 116.25 118.84 3bpq h VAL 10 Ca 0.71 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3bpq h VAL 10 Cb 1.65 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3bpq h VAL 10 CO -0.70 0.25 0.40 0.50 0.02 0.00 0.00 177.57 178.04 3bpq h LYS 11 N 0.63 0.84 -0.36 1.57 3.64 -0.90 -2.65 116.57 119.35 3bpq h LYS 11 Ca 0.16 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3bpq h LYS 11 Cb 0.22 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3bpq h LYS 11 CO -0.01 0.58 0.09 -0.44 -2.27 0.00 0.00 179.45 177.40 3bpq h ASP 12 N 0.85 0.48 0.70 4.20 3.45 -0.51 -3.04 116.42 122.55 3bpq h ASP 12 Ca 0.23 -0.06 -0.14 0.00 0.43 0.00 0.00 57.03 57.48 3bpq h ASP 12 Cb -0.07 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 3bpq h ASP 12 CO -0.05 0.48 -0.69 0.25 -1.57 0.00 0.00 179.24 177.67 3bpq h LEU 13 N 0.51 0.00 -1.60 1.55 5.85 -0.68 -2.94 115.31 118.01 3bpq h LEU 13 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3bpq h LEU 13 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 3bpq h LEU 13 CO -0.00 0.69 0.00 0.11 -0.34 0.00 0.00 178.44 178.89 3bpq h LYS 14 N 0.00 0.00 0.00 1.25 1.57 -1.39 -2.23 116.57 115.77 3bpq h LYS 14 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3bpq h LYS 14 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3bpq h LYS 14 CO 0.09 0.00 -1.53 0.72 -0.57 0.00 0.00 179.45 178.15 3bpq n HIS 15 N -2.45 0.11 -2.56 -1.35 8.25 -1.11 -4.97 115.22 111.14 3bpq n HIS 15 Ca -0.01 0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 57.07 3bpq n HIS 15 Cb 0.09 -0.41 -0.04 0.00 1.12 0.00 0.00 29.99 30.75 3bpq n HIS 15 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3bpq s VAL 16 N -3.33 4.04 0.65 1.59 1.01 -0.84 -5.03 120.40 118.48 3bpq s VAL 16 Ca -0.02 1.71 -0.13 0.00 0.00 0.00 0.00 61.98 63.54 3bpq s VAL 16 Cb 0.14 -4.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 3bpq s VAL 16 CO 0.87 0.27 1.06 -2.16 0.00 0.00 0.00 175.10 175.14 3bpq s PRO 17 N -0.16 3.12 0.26 2.72 0.04 -1.26 -4.79 135.00 134.93 3bpq s PRO 17 Ca 0.50 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.51 3bpq s PRO 17 Cb -0.28 -2.01 0.45 0.00 0.04 0.00 0.00 34.50 32.70 3bpq s PRO 17 CO 0.33 -0.96 1.59 0.78 0.04 0.00 0.00 177.00 178.78 3bpq h GLY 18 N -0.22 0.76 1.86 0.56 0.00 -1.98 -0.78 103.07 103.28 3bpq h GLY 18 Ca -0.45 0.24 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 3bpq h GLY 18 CO 0.57 -0.36 -0.34 1.12 0.00 0.00 0.00 176.54 177.53 3bpq h HIS 19 N 0.02 0.18 0.08 5.60 2.07 -2.00 -1.23 115.15 119.85 3bpq h HIS 19 Ca 0.45 -0.04 -0.28 0.00 -2.85 0.00 0.00 60.37 57.65 3bpq h HIS 19 Cb 0.75 -0.04 0.02 0.00 2.57 0.00 0.00 27.41 30.71 3bpq h HIS 19 CO -0.62 0.49 -1.16 0.82 -3.07 0.00 0.00 177.93 174.38 3bpq h ILE 20 N 0.14 1.31 -0.60 6.12 1.08 -1.69 -3.17 117.51 120.69 3bpq h ILE 20 Ca 0.02 -2.44 0.00 0.00 -0.39 0.00 0.00 64.86 62.05 3bpq h ILE 20 Cb 0.68 2.59 -0.03 0.00 -3.07 0.00 0.00 36.82 36.99 3bpq h ILE 20 CO 0.05 0.74 0.39 0.03 -0.69 0.00 0.00 178.15 178.67 3bpq h ARG 21 N 0.29 0.79 -0.59 2.37 3.08 -0.68 -0.11 114.38 119.54 3bpq h ARG 21 Ca -0.16 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 3bpq h ARG 21 Cb 1.83 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.67 3bpq h ARG 21 CO 0.22 0.53 0.36 0.87 -1.07 0.00 0.00 179.97 180.88 3bpq h LYS 22 N 0.81 0.80 -0.37 0.04 1.57 -1.32 -1.38 116.57 116.72 3bpq h LYS 22 Ca 0.22 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 3bpq h LYS 22 Cb -0.08 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 3bpq h LYS 22 CO -0.05 0.57 -0.27 0.00 -0.57 0.00 0.00 179.45 179.13 3bpq h ARG 23 N 0.80 0.77 -0.54 3.15 3.08 -1.30 -2.45 114.38 117.89 3bpq h ARG 23 Ca 0.21 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3bpq h ARG 23 Cb -0.03 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3bpq h ARG 23 CO -0.04 0.95 0.19 0.82 -1.07 0.00 0.00 179.97 180.82 3bpq h ILE 24 N 0.66 1.23 -0.58 2.04 2.04 -0.95 -2.19 117.51 119.75 3bpq h ILE 24 Ca 0.08 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.24 3bpq h ILE 24 Cb 0.79 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3bpq h ILE 24 CO 0.07 0.28 0.33 0.50 0.00 0.00 0.00 178.15 179.32 3bpq h LYS 25 N 0.73 0.62 -0.66 2.37 3.64 -1.10 0.18 116.57 122.36 3bpq h LYS 25 Ca 0.18 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3bpq h LYS 25 Cb 0.24 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3bpq h LYS 25 CO -0.01 0.41 0.43 -0.07 -2.27 0.00 0.00 179.45 177.94 3bpq h LEU 26 N 0.64 0.76 -0.11 5.20 4.07 -1.29 0.26 115.31 124.84 3bpq h LEU 26 Ca 0.25 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 58.16 3bpq h LEU 26 Cb 0.10 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 41.64 3bpq h LEU 26 CO -0.14 0.55 -0.02 0.40 -1.08 0.00 0.00 178.44 178.16 3bpq h ILE 27 N 0.89 1.28 -0.07 1.22 2.04 -0.61 -2.49 117.51 119.77 3bpq h ILE 27 Ca 0.24 -0.92 0.01 0.00 1.00 0.00 0.00 64.86 65.18 3bpq h ILE 27 Cb -0.10 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3bpq h ILE 27 CO -0.05 0.26 0.02 0.40 0.00 0.00 0.00 178.15 178.78 3bpq h ILE 28 N -0.11 0.98 -0.96 -0.67 2.04 -0.33 -2.63 117.51 115.83 3bpq h ILE 28 Ca 0.03 -0.02 0.13 0.00 1.00 0.00 0.00 64.86 66.00 3bpq h ILE 28 Cb 0.42 0.92 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 3bpq h ILE 28 CO 0.01 0.01 0.61 -0.33 0.00 0.00 0.00 178.15 178.45 3bpq h GLU 29 N 0.05 0.87 -0.00 2.37 3.07 -0.53 -1.49 114.58 118.92 3bpq h GLU 29 Ca 0.03 -0.05 -0.06 0.00 -0.50 0.00 0.00 59.36 58.78 3bpq h GLU 29 Cb 0.02 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 27.74 3bpq h GLU 29 CO -0.03 0.57 -0.22 1.49 -1.40 0.00 0.00 179.01 179.42 3bpq h GLU 30 N 0.89 0.15 0.00 2.33 4.22 -1.27 -3.22 114.58 117.69 3bpq h GLU 30 Ca 0.48 -0.16 0.00 0.00 0.08 0.00 0.00 59.36 59.76 3bpq h GLU 30 Cb 0.56 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3bpq h GLU 30 CO -0.25 0.90 0.00 0.00 -2.18 0.00 0.00 179.01 177.49 3bpq h GLN 32 N 0.00 0.77 0.00 0.00 4.15 -1.28 0.34 115.11 119.09 3bpq h GLN 32 Ca 0.00 -0.18 -0.12 0.00 0.77 0.00 0.00 58.65 59.13 3bpq h GLN 32 Cb 0.33 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 3bpq h GLN 32 CO 0.00 0.74 -1.43 0.27 -1.93 0.00 0.00 178.83 176.48 3bpq n ASN 33 N -4.49 0.71 -0.03 -0.69 0.23 -1.10 -4.32 115.26 105.57 3bpq n ASN 33 Ca 0.01 0.30 -0.00 0.00 -0.53 0.00 0.00 54.58 54.35 3bpq n ASN 33 Cb 0.21 0.50 -0.14 0.00 -2.08 0.00 0.00 39.78 38.27 3bpq n ASN 33 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3bpq n SER 34 N -2.75 0.26 -3.44 0.53 3.41 -0.95 -5.00 113.62 105.68 3bpq n SER 34 Ca -0.08 0.11 -0.25 0.00 -0.26 0.00 0.00 58.87 58.39 3bpq n SER 34 Cb 0.75 1.06 0.01 0.00 -0.26 0.00 0.00 64.21 65.76 3bpq n SER 34 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3bpq n ASN 35 N -2.64 -4.25 -3.79 4.04 5.15 0.12 -4.99 115.26 108.90 3bpq n ASN 35 Ca -0.17 -0.47 -0.13 0.00 -0.60 0.00 0.00 54.58 53.21 3bpq n ASN 35 Cb 0.88 -3.47 -0.09 0.00 -0.53 0.00 0.00 39.78 36.57 3bpq n ASN 35 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3bpq s SER 36 N -2.84 -0.14 0.00 1.20 1.04 -1.26 -4.96 113.70 106.75 3bpq s SER 36 Ca 0.45 0.01 0.19 0.00 0.48 0.00 0.00 55.95 57.07 3bpq s SER 36 Cb -0.23 0.29 0.39 0.00 0.10 0.00 0.00 66.02 66.56 3bpq s SER 36 CO 0.55 -0.43 1.32 0.18 0.98 0.00 0.00 173.24 175.84 3bpq n LEU 37 N 1.29 3.24 -4.56 2.42 4.77 -1.26 -4.47 117.00 118.44 3bpq n LEU 37 Ca -0.22 -1.61 -0.34 0.00 -0.03 0.00 0.00 56.01 53.82 3bpq n LEU 37 Cb 0.56 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 41.36 3bpq n LEU 37 CO 0.22 0.73 1.41 0.20 -1.33 0.00 0.00 177.39 178.61 3bpq s ASN 38 N -1.25 5.74 0.00 -1.43 0.01 -1.26 -4.80 114.94 111.95 3bpq s ASN 38 Ca 0.34 -0.87 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 3bpq s ASN 38 Cb 0.19 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.29 3bpq s ASN 38 CO 0.27 -2.18 0.00 0.18 -1.51 0.00 0.00 177.10 173.86 3bpq n LEU 40 N 11.61 -0.67 -0.48 0.60 4.77 -1.26 -5.05 117.00 126.53 3bpq n LEU 40 Ca 0.33 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 3bpq n LEU 40 Cb 0.49 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 3bpq n LEU 40 CO 0.64 0.00 0.13 2.29 -1.33 0.00 0.00 177.39 179.12 3bpq n LYS 41 N 1.49 0.50 -2.37 3.23 -0.00 -1.26 -4.88 118.16 114.87 3bpq n LYS 41 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.90 3bpq n LYS 41 Cb 0.00 -1.24 -0.03 0.00 -0.00 0.00 0.00 35.03 33.76 3bpq n LYS 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3bpq s LEU 42 N -0.05 4.43 -1.26 -5.58 1.02 -1.26 -4.94 118.68 111.05 3bpq s LEU 42 Ca 0.00 2.21 -0.20 0.00 0.02 0.00 0.00 54.13 56.16 3bpq s LEU 42 Cb 0.00 -3.60 0.02 0.00 0.02 0.00 0.00 46.19 42.63 3bpq s LEU 42 CO 0.00 -0.41 1.79 -0.62 0.02 0.00 0.00 176.35 177.13 3bpq s ASP 43 N 0.34 6.29 -0.05 2.29 3.68 -1.26 -4.94 116.67 123.02 3bpq s ASP 43 Ca 0.55 -2.19 0.05 0.00 2.13 0.00 0.00 52.55 53.08 3bpq s ASP 43 Cb -0.32 -2.58 -0.02 0.00 -1.45 0.00 0.00 42.92 38.54 3bpq s ASP 43 CO 0.35 -1.75 -0.19 -0.51 0.13 0.00 0.00 175.17 173.21 3bpq s ILE 44 N 6.27 2.68 0.00 4.11 2.07 -1.26 -1.12 121.20 133.96 3bpq s ILE 44 Ca 0.58 -0.86 -0.04 0.00 -1.41 0.00 0.00 60.65 58.92 3bpq s ILE 44 Cb 0.02 -2.02 -0.01 0.00 0.13 0.00 0.00 42.46 40.59 3bpq s ILE 44 CO 0.09 0.58 0.07 -0.75 -1.91 0.00 0.00 174.94 173.02 3bpq s LYS 45 N -0.57 0.37 -0.05 3.50 2.20 -0.04 -5.00 119.74 120.16 3bpq s LYS 45 Ca 0.08 -0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 3bpq s LYS 45 Cb -0.11 0.15 -0.02 0.00 -1.51 0.00 0.00 37.83 36.34 3bpq s LYS 45 CO 0.01 -0.08 1.00 0.21 -0.36 0.00 0.00 175.35 176.12 3bpq s LYS 46 N -1.22 4.50 -0.24 4.03 2.20 -1.26 -0.39 119.74 127.36 3bpq s LYS 46 Ca -0.13 1.41 -0.29 0.00 -0.36 0.00 0.00 55.97 56.60 3bpq s LYS 46 Cb -0.08 -3.50 -0.00 0.00 -1.51 0.00 0.00 37.83 32.74 3bpq s LYS 46 CO 0.00 -0.17 1.26 0.42 -0.36 0.00 0.00 175.35 176.51 3bpq s ILE 47 N 1.46 4.24 0.49 5.43 1.01 -0.67 -4.92 121.20 128.24 3bpq s ILE 47 Ca 0.50 1.45 -0.23 0.00 0.00 0.00 0.00 60.65 62.37 3bpq s ILE 47 Cb -0.20 -4.11 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 3bpq s ILE 47 CO 0.24 -0.32 1.31 -0.75 0.00 0.00 0.00 174.94 175.41 3bpq s LYS 48 N 3.82 3.47 0.00 2.79 2.20 -1.26 -3.11 119.74 127.65 3bpq s LYS 48 Ca 0.55 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 58.28 3bpq s LYS 48 Cb -0.18 -2.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.73 3bpq s LYS 48 CO 0.18 -0.89 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 3bpq n GLY 49 N 0.63 1.59 3.40 5.54 0.00 -1.26 -5.02 105.19 110.07 3bpq n GLY 49 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3bpq n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bpq s TYR 50 N -3.10 1.97 -0.27 1.61 1.51 -1.18 -5.12 117.35 112.77 3bpq s TYR 50 Ca 0.00 -0.46 -0.12 0.00 -1.01 0.00 0.00 57.07 55.48 3bpq s TYR 50 Cb 0.00 -0.88 -0.05 0.00 -0.11 0.00 0.00 41.96 40.92 3bpq s TYR 50 CO 0.00 0.52 0.23 -1.58 -1.11 0.00 0.00 175.55 173.61 3bpq s HIS 51 N -2.76 3.25 -1.75 2.71 2.46 -1.26 -4.49 115.29 113.45 3bpq s HIS 51 Ca 0.26 0.22 0.00 0.00 0.47 0.00 0.00 55.06 56.00 3bpq s HIS 51 Cb -0.03 -2.41 0.00 0.00 -0.13 0.00 0.00 32.58 30.01 3bpq s HIS 51 CO 0.11 -0.13 0.00 0.09 -2.47 0.00 0.00 174.74 172.33 3bpq n ASN 52 N 4.97 -5.48 -4.78 9.88 5.03 -1.26 -4.92 115.26 118.70 3bpq n ASN 52 Ca -0.13 0.12 -0.36 0.00 0.87 0.00 0.00 54.58 55.08 3bpq n ASN 52 Cb 0.52 -4.63 -0.08 0.00 -1.02 0.00 0.00 39.78 34.57 3bpq n ASN 52 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3bpq s TYR 53 N -2.90 3.41 0.03 3.10 1.51 -1.26 -1.33 117.35 119.91 3bpq s TYR 53 Ca 0.00 0.36 0.02 0.00 -1.01 0.00 0.00 57.07 56.43 3bpq s TYR 53 Cb 0.00 -1.93 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 3bpq s TYR 53 CO 0.00 0.55 -0.07 0.71 -1.11 0.00 0.00 175.55 175.63 3bpq s TYR 54 N -0.69 0.57 -0.10 2.71 2.02 0.33 -1.68 117.35 120.51 3bpq s TYR 54 Ca 0.12 -0.45 0.04 0.00 -0.37 0.00 0.00 57.07 56.41 3bpq s TYR 54 Cb -0.12 -0.35 0.00 0.00 -0.40 0.00 0.00 41.96 41.09 3bpq s TYR 54 CO 0.03 -0.09 -0.23 0.50 -1.57 0.00 0.00 175.55 174.19 3bpq s ARG 55 N -1.37 2.96 -0.21 -0.62 3.52 0.48 -0.86 118.95 122.85 3bpq s ARG 55 Ca -0.09 -0.85 -0.05 0.00 -0.13 0.00 0.00 55.73 54.61 3bpq s ARG 55 Cb -0.09 -2.27 -0.02 0.00 -1.56 0.00 0.00 34.95 31.01 3bpq s ARG 55 CO 0.00 0.14 0.01 0.42 -0.81 0.00 0.00 175.30 175.06 3bpq s ILE 56 N 0.45 3.99 -0.12 4.11 1.01 -0.48 -0.86 121.20 129.29 3bpq s ILE 56 Ca -0.17 -0.30 -0.24 0.00 0.00 0.00 0.00 60.65 59.95 3bpq s ILE 56 Cb -0.17 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 3bpq s ILE 56 CO 0.07 0.41 0.73 -0.13 0.00 0.00 0.00 174.94 176.02 3bpq s ARG 57 N 1.14 4.35 -0.40 2.79 0.52 -0.27 -0.45 118.95 126.63 3bpq s ARG 57 Ca 0.03 0.88 0.02 0.00 -0.52 0.00 0.00 55.73 56.14 3bpq s ARG 57 Cb -0.14 -3.51 0.12 0.00 0.52 0.00 0.00 34.95 31.93 3bpq s ARG 57 CO 0.02 -0.13 0.17 0.08 0.02 0.00 0.00 175.30 175.46 3bpq s VAL 58 N 1.46 1.69 0.00 3.52 1.01 0.99 -4.53 120.40 124.54 3bpq s VAL 58 Ca 0.36 -2.39 0.00 0.00 0.00 0.00 0.00 61.98 59.95 3bpq s VAL 58 Cb -0.17 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 33.99 3bpq s VAL 58 CO 0.15 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 175.10 3bpq n GLY 59 N 3.91 3.86 0.19 4.51 0.00 -1.26 -1.33 105.19 115.06 3bpq n GLY 59 Ca 0.04 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.28 3bpq n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bpq n ASN 60 N 6.62 0.68 -4.92 1.61 3.02 -1.26 -4.87 115.26 116.14 3bpq n ASN 60 Ca 0.00 -0.87 -0.30 0.00 -0.03 0.00 0.00 54.58 53.38 3bpq n ASN 60 Cb 0.00 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.11 3bpq n ASN 60 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3bpq s TYR 61 N -2.30 3.49 -0.08 3.10 1.51 -0.45 -1.17 117.35 121.46 3bpq s TYR 61 Ca 0.33 0.36 0.03 0.00 -1.01 0.00 0.00 57.07 56.78 3bpq s TYR 61 Cb 0.20 -1.85 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 3bpq s TYR 61 CO 0.43 0.48 -0.17 -1.12 -1.11 0.00 0.00 175.55 174.06 3bpq s SER 62 N -2.73 2.30 -0.20 2.29 0.01 0.08 -0.01 113.70 115.43 3bpq s SER 62 Ca 0.38 -0.40 -0.14 0.00 1.31 0.00 0.00 55.95 57.10 3bpq s SER 62 Cb -0.12 -1.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 3bpq s SER 62 CO 0.27 0.08 0.30 -0.63 0.41 0.00 0.00 173.24 173.67 3bpq s ILE 63 N 0.55 5.27 -0.27 1.44 1.01 0.41 -0.87 121.20 128.74 3bpq s ILE 63 Ca -0.16 0.51 -0.13 0.00 0.00 0.00 0.00 60.65 60.86 3bpq s ILE 63 Cb -0.17 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 3bpq s ILE 63 CO 0.06 0.31 0.30 -0.83 0.00 0.00 0.00 174.94 174.78 3bpq s GLY 64 N 0.90 1.91 -0.03 6.18 0.00 0.20 -1.39 107.32 115.10 3bpq s GLY 64 Ca 0.15 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 44.05 3bpq s GLY 64 CO 0.06 0.84 -0.25 -0.42 0.00 0.00 0.00 173.10 173.32 3bpq s ILE 65 N 1.88 2.11 -0.12 0.90 1.09 -0.04 -0.99 121.20 126.02 3bpq s ILE 65 Ca 0.12 -1.08 -0.01 0.00 -1.10 0.00 0.00 60.65 58.58 3bpq s ILE 65 Cb -0.16 -1.73 -0.02 0.00 -1.06 0.00 0.00 42.46 39.49 3bpq s ILE 65 CO 0.10 0.58 -0.08 -0.70 -0.10 0.00 0.00 174.94 174.74 3bpq s GLU 66 N -0.56 3.34 -0.46 2.79 2.12 -0.30 -0.51 118.70 125.11 3bpq s GLU 66 Ca 0.08 -0.59 -0.12 0.00 0.36 0.00 0.00 54.97 54.71 3bpq s GLU 66 Cb -0.11 -2.73 0.10 0.00 0.26 0.00 0.00 34.13 31.65 3bpq s GLU 66 CO -0.00 0.34 0.35 0.08 -0.54 0.00 0.00 175.26 175.48 3bpq s VAL 67 N 0.07 4.58 -0.74 3.70 1.01 -0.44 0.10 120.40 128.67 3bpq s VAL 67 Ca -0.02 -1.47 -0.19 0.00 0.00 0.00 0.00 61.98 60.30 3bpq s VAL 67 Cb -0.14 -3.87 0.12 0.00 0.00 0.00 0.00 36.38 32.49 3bpq s VAL 67 CO 0.03 -0.66 0.89 0.21 0.00 0.00 0.00 175.10 175.57 3bpq s ASN 68 N 2.62 6.41 0.78 3.32 3.04 0.57 -4.81 114.94 126.87 3bpq s ASN 68 Ca 0.04 -1.74 0.00 0.00 0.04 0.00 0.00 52.86 51.20 3bpq s ASN 68 Cb -0.25 -2.34 0.00 0.00 -1.54 0.00 0.00 41.25 37.12 3bpq s ASN 68 CO 0.02 -1.07 0.00 0.61 -3.04 0.00 0.00 177.10 173.62 3bpq n GLY 69 N 5.17 0.83 0.37 1.21 0.00 -1.26 -1.32 105.19 110.18 3bpq n GLY 69 Ca 0.05 0.43 0.05 0.00 0.00 0.00 0.00 46.02 46.55 3bpq n GLY 69 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3bpq n ASP 70 N 7.93 2.65 -4.44 1.61 4.64 -1.26 -4.97 116.55 122.70 3bpq n ASP 70 Ca 0.00 -2.28 -0.34 0.00 -1.38 0.00 0.00 54.79 50.79 3bpq n ASP 70 Cb 0.00 -0.22 -0.13 0.00 -1.04 0.00 0.00 41.12 39.74 3bpq n ASP 70 CO 0.00 0.00 0.00 -0.89 -0.82 0.00 0.00 177.20 175.49 3bpq s THR 71 N -1.49 3.75 -0.23 5.18 2.01 -0.44 -5.03 115.64 119.40 3bpq s THR 71 Ca 0.19 -0.39 -0.16 0.00 0.31 0.00 0.00 61.69 61.63 3bpq s THR 71 Cb 0.13 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 3bpq s THR 71 CO 0.07 0.46 0.43 -0.63 -0.69 0.00 0.00 174.62 174.26 3bpq s ILE 72 N 0.75 5.16 -0.23 1.82 1.01 -1.26 -0.31 121.20 128.13 3bpq s ILE 72 Ca -0.01 0.74 0.01 0.00 0.00 0.00 0.00 60.65 61.38 3bpq s ILE 72 Cb -0.14 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.61 3bpq s ILE 72 CO 0.02 0.19 -0.13 -0.63 0.00 0.00 0.00 174.94 174.39 3bpq s ILE 73 N 1.70 2.30 -0.46 2.92 1.01 0.12 -0.77 121.20 128.02 3bpq s ILE 73 Ca 0.19 -1.26 -0.28 0.00 0.00 0.00 0.00 60.65 59.30 3bpq s ILE 73 Cb -0.15 -2.18 0.03 0.00 0.01 0.00 0.00 42.46 40.17 3bpq s ILE 73 CO 0.09 0.22 1.08 -0.36 0.00 0.00 0.00 174.94 175.96 3bpq s PHE 74 N 1.22 2.88 -0.28 3.97 0.40 0.22 -1.16 117.98 125.24 3bpq s PHE 74 Ca -0.02 0.69 -0.12 0.00 -0.60 0.00 0.00 56.93 56.88 3bpq s PHE 74 Cb -0.17 -4.24 -0.13 0.00 0.51 0.00 0.00 43.02 38.99 3bpq s PHE 74 CO -0.08 -1.18 -0.34 0.54 0.70 0.00 0.00 175.22 174.87 3bpq n ARG 75 N 7.58 0.60 -4.08 0.44 1.74 -0.16 -1.29 116.66 121.47 3bpq n ARG 75 Ca 0.11 0.25 -0.14 0.00 -0.77 0.00 0.00 57.85 57.29 3bpq n ARG 75 Cb 0.49 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.32 3bpq n ARG 75 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3bpq s ARG 76 N -2.51 0.55 -0.15 5.56 1.81 -0.97 -2.87 118.95 120.37 3bpq s ARG 76 Ca -0.38 -0.73 -0.02 0.00 -1.72 0.00 0.00 55.73 52.88 3bpq s ARG 76 Cb 0.14 -0.35 0.05 0.00 -0.45 0.00 0.00 34.95 34.33 3bpq s ARG 76 CO 0.51 0.07 0.02 0.54 -0.68 0.00 0.00 175.30 175.75 3bpq s VAL 77 N -1.26 0.53 0.01 3.52 0.11 -1.26 0.62 120.40 122.67 3bpq s VAL 77 Ca -0.08 -0.34 0.02 0.00 -2.93 0.00 0.00 61.98 58.66 3bpq s VAL 77 Cb -0.09 -0.89 -0.01 0.00 -1.53 0.00 0.00 36.38 33.86 3bpq s VAL 77 CO 0.01 -0.02 -0.08 -0.76 -3.33 0.00 0.00 175.10 170.92 3bpq s LEU 78 N 1.87 2.07 0.36 2.54 1.43 -0.05 -4.69 118.68 122.21 3bpq s LEU 78 Ca 0.01 -0.23 -0.27 0.00 -1.03 0.00 0.00 54.13 52.61 3bpq s LEU 78 Cb -0.15 -0.36 -0.09 0.00 0.03 0.00 0.00 46.19 45.62 3bpq s LEU 78 CO -0.07 0.03 1.22 -2.28 0.23 0.00 0.00 176.35 175.48 3bpq s HIS 79 N -0.44 3.11 0.39 0.29 5.65 -1.26 -0.74 115.29 122.30 3bpq s HIS 79 Ca 0.01 1.51 0.18 0.00 0.25 0.00 0.00 55.06 57.00 3bpq s HIS 79 Cb -0.04 -3.51 1.09 0.00 -1.18 0.00 0.00 32.58 28.93 3bpq s HIS 79 CO -0.00 -1.48 1.77 0.07 -0.65 0.00 0.00 174.74 174.45 3bpq h ARG 80 N 3.08 0.40 -0.43 2.88 0.11 -1.50 0.12 114.38 119.03 3bpq h ARG 80 Ca -0.49 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 59.55 3bpq h ARG 80 Cb 1.23 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.20 3bpq h ARG 80 CO 0.64 0.26 0.18 0.87 0.10 0.00 0.00 179.97 182.02 3bpq h LYS 81 N 0.41 0.61 0.00 0.08 1.57 -1.91 -2.77 116.57 114.56 3bpq h LYS 81 Ca 0.60 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 59.19 3bpq h LYS 81 Cb 1.49 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 3bpq h LYS 81 CO -0.31 0.50 -0.56 0.77 -0.57 0.00 0.00 179.45 179.28 3bpq h SER 82 N 0.61 0.00 0.41 0.86 0.02 -1.14 -3.29 113.55 111.02 3bpq h SER 82 Ca 0.15 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.03 3bpq h SER 82 Cb 0.12 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3bpq h SER 82 CO -0.02 0.56 -0.31 0.40 -1.14 0.00 0.00 176.83 176.33 3bpq h ILE 83 N 0.00 1.09 -0.39 3.27 2.04 -1.20 -3.19 117.51 119.13 3bpq h ILE 83 Ca -0.01 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 64.78 3bpq h ILE 83 Cb 1.37 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 39.05 3bpq h ILE 83 CO 0.07 0.30 0.26 1.88 0.00 0.00 0.00 178.15 180.67 3bpq h TYR 84 N 0.00 0.37 0.00 1.37 -1.99 -1.63 -2.39 116.97 112.70 3bpq h TYR 84 Ca -0.00 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.66 3bpq h TYR 84 Cb 0.60 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.19 3bpq h TYR 84 CO 0.00 0.22 -0.38 -0.44 -0.00 0.00 0.00 178.16 177.56 3bpq h ASP 85 N 0.39 0.00 1.48 3.88 3.45 -1.79 -2.70 116.42 121.13 3bpq h ASP 85 Ca 0.16 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.62 3bpq h ASP 85 Cb 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 3bpq h ASP 85 CO -0.04 0.38 -0.04 1.88 -1.57 0.00 0.00 179.24 179.85 3bpq h TYR 86 N 0.00 0.00 -3.26 4.55 -1.99 -1.62 -3.41 116.97 111.24 3bpq h TYR 86 Ca -0.00 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.14 3bpq h TYR 86 Cb 0.73 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.36 3bpq h TYR 86 CO 0.00 0.00 -0.29 0.12 -0.00 0.00 0.00 178.16 177.99 3bpq s PHE 87 N -3.11 3.50 -2.55 4.88 5.36 -1.02 -5.18 117.98 119.86 3bpq s PHE 87 Ca 0.10 0.68 0.20 0.00 -0.96 0.00 0.00 56.93 56.95 3bpq s PHE 87 Cb 0.12 -2.36 0.16 0.00 -0.34 0.00 0.00 43.02 40.59 3bpq s PHE 87 CO 0.61 0.27 1.15 -0.35 -1.46 0.00 0.00 175.22 175.44