#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bpq h LEU 2 N 0.00 0.89 -1.39 0.00 5.85 -1.15 0.11 115.31 119.63 1bpq h LEU 2 Ca 0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1bpq h LEU 2 Cb 0.00 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1bpq h LEU 2 CO 0.00 0.57 0.47 -0.25 -0.34 0.00 0.00 178.44 178.89 1bpq h TRP 3 N 1.01 0.75 0.14 1.25 2.91 -1.98 0.34 115.95 120.38 1bpq h TRP 3 Ca 0.39 0.02 -0.29 0.00 1.13 0.00 0.00 58.89 60.14 1bpq h TRP 3 Cb 0.21 -0.25 0.03 0.00 -0.51 0.00 0.00 29.16 28.64 1bpq h TRP 3 CO -0.00 0.40 -1.21 1.96 -1.03 0.00 0.00 178.44 178.56 1bpq h GLN 4 N 0.75 0.57 -0.87 2.65 7.50 -1.19 -2.54 115.11 121.97 1bpq h GLN 4 Ca 0.31 -0.80 0.05 0.00 0.50 0.00 0.00 58.65 58.71 1bpq h GLN 4 Cb 0.24 0.27 -0.05 0.00 0.05 0.00 0.00 27.48 27.99 1bpq h GLN 4 CO -0.10 1.37 0.57 0.35 -1.50 0.00 0.00 178.83 179.52 1bpq h PHE 5 N 0.17 1.02 -0.23 2.96 3.57 -1.04 0.95 116.94 124.33 1bpq h PHE 5 Ca -0.19 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.36 1bpq h PHE 5 Cb 1.90 -0.34 -0.02 0.00 2.79 0.00 0.00 35.95 40.28 1bpq h PHE 5 CO 0.13 0.55 0.07 -0.97 -2.23 0.00 0.00 178.31 175.86 1bpq h ASN 6 N 1.02 0.07 -0.34 0.41 -0.73 -0.86 -2.14 115.58 113.01 1bpq h ASN 6 Ca 0.37 0.03 -0.09 0.00 1.87 0.00 0.00 56.30 58.47 1bpq h ASN 6 Cb 0.15 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 38.74 1bpq h ASN 6 CO -0.13 0.07 -0.10 1.23 -0.37 0.00 0.00 177.43 178.14 1bpq h GLY 7 N 0.17 0.83 0.91 1.57 0.00 -0.85 -2.35 103.07 103.35 1bpq h GLY 7 Ca 0.10 -0.61 0.01 0.00 0.00 0.00 0.00 47.33 46.83 1bpq h GLY 7 CO -0.11 0.56 0.15 -0.33 0.00 0.00 0.00 176.54 176.81 1bpq h MET 8 N 0.70 0.30 -0.28 4.80 2.86 -0.62 -0.77 114.93 121.93 1bpq h MET 8 Ca 0.12 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 1bpq h MET 8 Cb 0.57 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1bpq h MET 8 CO 0.03 0.20 0.03 0.82 1.06 0.00 0.00 176.91 179.05 1bpq h ILE 9 N 0.31 1.24 -0.70 -1.22 2.04 -1.09 -2.11 117.51 115.98 1bpq h ILE 9 Ca 0.11 -0.84 0.10 0.00 1.00 0.00 0.00 64.86 65.24 1bpq h ILE 9 Cb 0.02 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.30 1bpq h ILE 9 CO -0.06 0.27 0.46 0.11 0.00 0.00 0.00 178.15 178.93 1bpq h LYS 10 N 0.27 0.53 -0.75 2.37 1.57 -1.34 0.45 116.57 119.66 1bpq h LYS 10 Ca 0.08 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1bpq h LYS 10 Cb 0.37 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 1bpq h LYS 10 CO 0.01 0.35 0.40 0.00 -0.57 0.00 0.00 179.45 179.64 1bpq n LYS 12 N -4.81 0.63 -3.71 0.00 4.76 -0.56 -4.47 118.16 110.00 1bpq n LYS 12 Ca 0.12 0.25 -0.28 0.00 -2.87 0.00 0.00 58.31 55.53 1bpq n LYS 12 Cb 0.27 -1.78 -0.11 0.00 -1.84 0.00 0.00 35.03 31.57 1bpq n LYS 12 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1bpq n ILE 13 N -2.96 0.88 0.30 -0.18 5.41 0.15 -4.94 119.36 118.02 1bpq n ILE 13 Ca -0.15 -4.50 0.19 0.00 1.00 0.00 0.00 62.75 59.30 1bpq n ILE 13 Cb 0.97 -2.03 1.03 0.00 -0.71 0.00 0.00 39.64 38.89 1bpq n ILE 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1bpq h PRO 14 N 5.30 0.00 -0.01 0.38 0.11 -1.56 -2.55 132.00 133.67 1bpq h PRO 14 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1bpq h PRO 14 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1bpq h PRO 14 CO 0.63 0.00 -0.17 -1.13 -0.21 0.00 0.00 178.00 177.12 1bpq n SER 15 N -2.87 1.24 -4.90 -2.05 3.41 -1.26 -4.95 113.62 102.25 1bpq n SER 15 Ca -0.03 -1.13 -0.32 0.00 -0.26 0.00 0.00 58.87 57.13 1bpq n SER 15 Cb 0.11 0.09 -0.05 0.00 -0.26 0.00 0.00 64.21 64.11 1bpq n SER 15 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bpq s SER 16 N -2.32 6.49 -0.77 4.04 0.15 -0.96 -5.05 113.70 115.28 1bpq s SER 16 Ca 0.29 0.55 -0.12 0.00 0.70 0.00 0.00 55.95 57.37 1bpq s SER 16 Cb 0.20 -2.08 0.20 0.00 -1.71 0.00 0.00 66.02 62.63 1bpq s SER 16 CO 0.45 0.12 0.69 -1.61 1.20 0.00 0.00 173.24 174.09 1bpq s GLU 17 N -2.39 3.36 0.35 5.44 0.41 -1.26 -4.81 118.70 119.80 1bpq s GLU 17 Ca 0.37 -2.42 0.09 0.00 -0.41 0.00 0.00 54.97 52.60 1bpq s GLU 17 Cb -0.13 -4.29 0.82 0.00 -1.78 0.00 0.00 34.13 28.75 1bpq s GLU 17 CO 0.23 -1.27 1.84 -1.35 -0.49 0.00 0.00 175.26 174.22 1bpq h PRO 18 N 7.72 0.67 0.00 0.39 0.11 -1.94 0.18 132.00 139.13 1bpq h PRO 18 Ca 0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1bpq h PRO 18 Cb 1.03 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1bpq h PRO 18 CO 0.76 0.45 0.00 1.25 -0.21 0.00 0.00 178.00 180.25 1bpq h LEU 19 N 0.69 0.00 0.00 2.35 7.12 -1.94 0.20 115.31 123.74 1bpq h LEU 19 Ca 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.50 1bpq h LEU 19 Cb 0.82 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.95 1bpq h LEU 19 CO -0.25 0.00 -0.76 0.18 -0.13 0.00 0.00 178.44 177.49 1bpq n LEU 20 N -2.87 1.87 -0.11 2.25 7.99 0.41 -4.06 117.00 122.47 1bpq n LEU 20 Ca 0.01 0.49 -0.07 0.00 -0.01 0.00 0.00 56.01 56.43 1bpq n LEU 20 Cb 0.30 -0.81 0.01 0.00 -0.11 0.00 0.00 43.42 42.81 1bpq n LEU 20 CO 0.26 -0.37 0.98 0.44 -1.51 0.00 0.00 177.39 177.19 1bpq h ASP 21 N -1.00 0.28 -0.54 -1.43 3.32 -0.95 -3.20 116.42 112.90 1bpq h ASP 21 Ca -0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1bpq h ASP 21 Cb 0.75 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.26 1bpq h ASP 21 CO -0.00 0.21 0.00 0.49 -1.72 0.00 0.00 179.24 178.22 1bpq n PHE 22 N -4.92 0.76 -3.53 4.55 3.72 0.70 -4.86 117.46 113.87 1bpq n PHE 22 Ca 0.01 -0.51 -0.35 0.00 -0.05 0.00 0.00 57.45 56.55 1bpq n PHE 22 Cb 0.08 -0.03 -0.05 0.00 -0.94 0.00 0.00 39.48 38.54 1bpq n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1bpq s ASN 23 N -1.01 6.68 -1.16 4.37 3.84 -1.21 -4.34 114.94 122.10 1bpq s ASN 23 Ca 0.37 0.85 -0.06 0.00 0.21 0.00 0.00 52.86 54.23 1bpq s ASN 23 Cb 0.20 -2.20 -0.03 0.00 -0.55 0.00 0.00 41.25 38.67 1bpq s ASN 23 CO 0.24 0.16 0.86 -3.20 -2.79 0.00 0.00 177.10 172.37 1bpq n ASN 24 N 0.89 -4.05 -4.09 -4.21 5.15 -0.47 -4.80 115.26 103.68 1bpq n ASN 24 Ca -0.07 -0.78 -0.25 0.00 -0.60 0.00 0.00 54.58 52.88 1bpq n ASN 24 Cb 0.52 -4.56 -0.16 0.00 -0.53 0.00 0.00 39.78 35.05 1bpq n ASN 24 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1bpq s TYR 25 N -3.47 1.55 0.00 1.20 6.14 -0.50 -0.17 117.35 122.10 1bpq s TYR 25 Ca 0.25 -0.48 0.00 0.00 0.64 0.00 0.00 57.07 57.48 1bpq s TYR 25 Cb -0.05 -1.07 0.00 0.00 0.42 0.00 0.00 41.96 41.26 1bpq s TYR 25 CO 0.78 -0.19 0.00 0.41 0.64 0.00 0.00 175.55 177.19 1bpq n GLY 26 N 3.35 0.88 0.07 8.97 0.00 -0.58 -2.56 105.19 115.32 1bpq n GLY 26 Ca -0.19 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.12 1bpq n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bpq n TYR 28 N -2.00 0.00 -2.06 0.00 4.02 -1.24 -3.17 117.16 112.71 1bpq n TYR 28 Ca 0.06 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.57 1bpq n TYR 28 Cb 0.40 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.69 1bpq n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bpq n GLY 30 N 5.77 2.87 3.71 0.00 0.00 -1.26 -1.37 105.19 114.90 1bpq n GLY 30 Ca 0.21 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1bpq n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bpq s LEU 31 N 0.00 4.38 0.00 0.99 1.02 -1.26 -4.56 118.68 119.25 1bpq s LEU 31 Ca 0.00 2.77 0.00 0.00 0.02 0.00 0.00 54.13 56.92 1bpq s LEU 31 Cb 0.00 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.63 1bpq s LEU 31 CO 0.00 -0.97 0.00 0.61 0.02 0.00 0.00 176.35 176.01 1bpq n GLY 32 N 4.06 -2.32 0.00 -3.19 0.00 -1.26 -5.05 105.19 97.43 1bpq n GLY 32 Ca 0.16 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1bpq n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bpq n GLY 33 N -0.40 3.73 3.44 -0.02 0.00 -1.25 -4.60 105.19 106.09 1bpq n GLY 33 Ca 0.00 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1bpq n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bpq s SER 34 N 0.00 -0.45 0.00 1.61 1.04 -1.19 -4.99 113.70 109.72 1bpq s SER 34 Ca 0.00 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 1bpq s SER 34 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1bpq s SER 34 CO 0.00 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.85 1bpq n GLY 35 N -0.35 -1.30 3.70 7.32 0.00 -1.26 -4.80 105.19 108.50 1bpq n GLY 35 Ca -0.15 -1.41 -0.35 0.00 0.00 0.00 0.00 46.02 44.11 1bpq n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bpq s THR 36 N 0.00 5.18 0.28 2.61 2.01 -1.26 -5.04 115.64 119.42 1bpq s THR 36 Ca 0.00 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.82 1bpq s THR 36 Cb 0.00 -3.35 -0.14 0.00 0.01 0.00 0.00 72.50 69.02 1bpq s THR 36 CO 0.00 0.46 1.07 -2.65 -0.69 0.00 0.00 174.62 172.80 1bpq n PRO 37 N 3.46 1.42 0.08 4.92 -0.02 -1.26 -4.83 135.00 138.77 1bpq n PRO 37 Ca -0.16 0.50 -0.04 0.00 -2.02 0.00 0.00 63.50 61.78 1bpq n PRO 37 Cb 0.52 -1.91 -0.07 0.00 -0.02 0.00 0.00 33.50 32.02 1bpq n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1bpq h VAL 38 N 2.16 1.37 -1.98 -1.45 -1.51 -1.96 -3.48 116.25 109.41 1bpq h VAL 38 Ca -0.41 -2.97 0.00 0.00 -1.23 0.00 0.00 66.70 62.10 1bpq h VAL 38 Cb 1.33 2.67 0.00 0.00 -2.13 0.00 0.00 31.29 33.17 1bpq h VAL 38 CO 0.63 0.78 0.00 -0.90 -1.23 0.00 0.00 177.57 176.85 1bpq n ASP 39 N -3.29 0.00 -0.06 4.19 5.68 -1.26 -5.03 116.55 116.78 1bpq n ASP 39 Ca -0.00 -0.98 -0.06 0.00 -0.50 0.00 0.00 54.79 53.25 1bpq n ASP 39 Cb 0.87 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.99 1bpq n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1bpq h ASP 40 N 0.00 0.69 -0.71 -1.12 3.32 -1.93 -1.14 116.42 115.53 1bpq h ASP 40 Ca 0.00 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1bpq h ASP 40 Cb 0.00 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1bpq h ASP 40 CO 0.00 0.87 0.44 0.25 -1.72 0.00 0.00 179.24 179.08 1bpq h LEU 41 N 0.62 0.85 -1.04 1.55 6.46 -1.93 -0.19 115.31 121.63 1bpq h LEU 41 Ca 0.10 -0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.73 1bpq h LEU 41 Cb 0.64 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 1bpq h LEU 41 CO 0.05 0.65 -0.07 -0.78 -0.62 0.00 0.00 178.44 177.67 1bpq h ASP 42 N 0.97 0.59 -0.27 1.25 3.58 -1.86 -0.95 116.42 119.73 1bpq h ASP 42 Ca 0.26 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.47 1bpq h ASP 42 Cb -0.05 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.83 1bpq h ASP 42 CO -0.05 0.70 -0.16 -0.09 -2.88 0.00 0.00 179.24 176.77 1bpq h ARG 43 N 0.57 0.71 -0.59 0.28 2.43 -0.28 0.11 114.38 117.61 1bpq h ARG 43 Ca 0.11 -0.25 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1bpq h ARG 43 Cb 0.47 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.92 1bpq h ARG 43 CO 0.02 0.83 0.36 0.00 -1.51 0.00 0.00 179.97 179.67 1bpq h GLN 46 N 1.02 0.08 -0.49 0.00 4.15 -0.30 -1.07 115.11 118.50 1bpq h GLN 46 Ca 0.20 -0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.68 1bpq h GLN 46 Cb 0.43 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.05 1bpq h GLN 46 CO 0.01 0.05 0.19 1.15 -1.93 0.00 0.00 178.83 178.30 1bpq h THR 47 N 0.08 0.85 -0.92 2.39 2.02 -0.98 -0.80 112.91 115.55 1bpq h THR 47 Ca 0.05 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.12 1bpq h THR 47 Cb 0.05 0.45 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 1bpq h THR 47 CO -0.07 0.07 0.60 -0.74 0.37 0.00 0.00 175.52 175.75 1bpq h HIS 48 N 0.37 1.14 -0.46 3.16 -0.00 -1.07 0.83 115.15 119.13 1bpq h HIS 48 Ca 0.23 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.60 1bpq h HIS 48 Cb 0.23 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.23 1bpq h HIS 48 CO -0.15 0.70 0.19 -0.44 -0.00 0.00 0.00 177.93 178.23 1bpq h ASP 49 N 1.22 0.64 -0.07 3.26 5.19 -0.66 -0.56 116.42 125.44 1bpq h ASP 49 Ca 0.34 -0.16 -0.07 0.00 -0.62 0.00 0.00 57.03 56.52 1bpq h ASP 49 Cb -0.10 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.23 1bpq h ASP 49 CO -0.09 0.63 -0.14 0.78 -3.12 0.00 0.00 179.24 177.30 1bpq h ASN 50 N 0.61 0.39 -0.20 6.45 2.35 -0.27 -0.76 115.58 124.16 1bpq h ASN 50 Ca 0.16 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.76 1bpq h ASN 50 Cb 0.19 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1bpq h ASN 50 CO -0.01 0.56 -0.08 0.00 -1.65 0.00 0.00 177.43 176.25 1bpq h TYR 52 N 0.11 1.17 -0.47 0.00 -1.99 -0.78 -0.21 116.97 114.80 1bpq h TYR 52 Ca 0.05 0.03 0.01 0.00 2.00 0.00 0.00 58.73 60.81 1bpq h TYR 52 Cb 0.56 -0.39 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 1bpq h TYR 52 CO 0.06 0.72 0.31 0.87 -0.00 0.00 0.00 178.16 180.12 1bpq h LYS 53 N 1.24 0.62 -0.82 4.88 1.57 -0.98 -1.79 116.57 121.29 1bpq h LYS 53 Ca 0.36 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 59.07 1bpq h LYS 53 Cb -0.10 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.04 1bpq h LYS 53 CO -0.09 0.41 0.39 0.37 -0.57 0.00 0.00 179.45 179.96 1bpq h GLN 54 N 0.64 1.18 -0.72 3.15 5.75 -0.48 -2.83 115.11 121.80 1bpq h GLN 54 Ca 0.17 -0.17 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1bpq h GLN 54 Cb -0.07 -0.21 -0.04 0.00 1.07 0.00 0.00 27.48 28.23 1bpq h GLN 54 CO -0.04 0.91 0.47 0.00 -2.65 0.00 0.00 178.83 177.52 1bpq h ALA 55 N 1.25 0.91 0.00 3.38 0.00 -0.69 -2.29 119.26 121.82 1bpq h ALA 55 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1bpq h ALA 55 Cb 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1bpq h ALA 55 CO -0.03 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1bpq h MET 56 N 0.96 0.00 0.00 0.00 -0.00 -1.10 -1.28 114.93 113.51 1bpq h MET 56 Ca 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.96 1bpq h MET 56 Cb -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.50 1bpq h MET 56 CO -0.06 0.00 0.00 0.87 -0.00 0.00 0.00 176.91 177.72 1bpq h LYS 57 N 0.00 0.00 -6.73 -0.10 1.57 -1.21 -3.40 116.57 106.70 1bpq h LYS 57 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1bpq h LYS 57 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1bpq h LYS 57 CO 0.00 0.00 0.42 -0.51 -0.57 0.00 0.00 179.45 178.79 1bpq s LEU 58 N -4.80 4.57 0.27 2.94 1.43 -0.48 -4.90 118.68 117.71 1bpq s LEU 58 Ca 0.10 2.06 -0.00 0.00 -1.03 0.00 0.00 54.13 55.26 1bpq s LEU 58 Cb 0.11 -3.61 0.59 0.00 0.03 0.00 0.00 46.19 43.31 1bpq s LEU 58 CO 0.61 -0.04 1.72 0.44 0.23 0.00 0.00 176.35 179.31 1bpq h ASP 59 N 4.39 0.33 -0.67 2.29 3.32 -1.89 -0.34 116.42 123.85 1bpq h ASP 59 Ca -0.45 0.13 0.13 0.00 0.02 0.00 0.00 57.03 56.86 1bpq h ASP 59 Cb 1.21 0.10 -0.09 0.00 0.22 0.00 0.00 39.33 40.77 1bpq h ASP 59 CO 0.69 0.07 0.19 0.28 -1.72 0.00 0.00 179.24 178.75 1bpq h SER 60 N 0.45 0.09 0.11 6.45 0.02 -1.93 -2.09 113.55 116.65 1bpq h SER 60 Ca 0.49 0.12 -0.19 0.00 -0.84 0.00 0.00 61.79 61.36 1bpq h SER 60 Cb 0.83 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.51 1bpq h SER 60 CO -0.46 0.03 -0.71 0.00 -1.14 0.00 0.00 176.83 174.55 1bpq h LYS 62 N 0.37 0.00 0.00 0.00 1.57 -0.43 -0.39 116.57 117.69 1bpq h LYS 62 Ca -0.03 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1bpq h LYS 62 Cb 1.29 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 1bpq h LYS 62 CO 0.13 0.06 -0.25 0.28 -0.57 0.00 0.00 179.45 179.10 1bpq h VAL 63 N 0.00 0.70 -3.14 0.50 2.07 -1.46 -3.45 116.25 111.48 1bpq h VAL 63 Ca -0.00 -1.11 -0.60 0.00 0.82 0.00 0.00 66.70 65.81 1bpq h VAL 63 Cb 0.14 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 1bpq h VAL 63 CO 0.01 0.25 -0.25 -0.76 0.02 0.00 0.00 177.57 176.84 1bpq s LEU 64 N -7.08 4.35 0.14 2.57 1.43 -0.16 -4.98 118.68 114.96 1bpq s LEU 64 Ca -0.01 0.75 -0.21 0.00 -1.03 0.00 0.00 54.13 53.64 1bpq s LEU 64 Cb 0.11 -2.50 0.01 0.00 0.03 0.00 0.00 46.19 43.85 1bpq s LEU 64 CO 0.64 0.19 1.67 1.62 0.23 0.00 0.00 176.35 180.70 1bpq h VAL 65 N 4.25 0.60 -2.72 -1.59 3.04 -1.87 -3.44 116.25 114.52 1bpq h VAL 65 Ca -0.46 0.00 -0.59 0.00 -1.01 0.00 0.00 66.70 64.63 1bpq h VAL 65 Cb 1.19 0.60 0.13 0.00 -2.01 0.00 0.00 31.29 31.20 1bpq h VAL 65 CO 0.69 0.00 0.06 0.47 -1.01 0.00 0.00 177.57 177.78 1bpq n ASP 66 N -5.30 0.93 -4.97 3.17 8.00 -1.26 -5.05 116.55 112.07 1bpq n ASP 66 Ca -0.01 1.07 -0.20 0.00 0.71 0.00 0.00 54.79 56.36 1bpq n ASP 66 Cb 0.21 -1.29 0.01 0.00 -0.02 0.00 0.00 41.12 40.03 1bpq n ASP 66 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bpq s ASN 67 N -0.71 5.22 0.67 -2.24 2.20 -1.26 -4.82 114.94 113.99 1bpq s ASN 67 Ca 0.61 -0.73 0.39 0.00 -0.94 0.00 0.00 52.86 52.20 1bpq s ASN 67 Cb -0.62 -0.25 2.13 0.00 -2.00 0.00 0.00 41.25 40.51 1bpq s ASN 67 CO 0.58 -0.92 2.21 -0.65 -2.94 0.00 0.00 177.10 175.37 1bpq h PRO 68 N 0.64 0.00 0.03 3.55 0.11 -1.94 0.06 132.00 134.45 1bpq h PRO 68 Ca -0.37 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.51 1bpq h PRO 68 Cb 1.28 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 1bpq h PRO 68 CO 0.49 0.00 -1.06 1.88 -0.21 0.00 0.00 178.00 179.10 1bpq h TYR 69 N 0.00 0.11 0.00 0.65 0.05 -1.94 -3.27 116.97 112.56 1bpq h TYR 69 Ca 0.00 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1bpq h TYR 69 Cb 0.25 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1bpq h TYR 69 CO 0.00 1.06 -0.91 0.25 -1.05 0.00 0.00 178.16 177.51 1bpq n THR 70 N -3.39 0.00 -2.14 -2.88 -2.24 -0.76 -0.77 114.28 102.11 1bpq n THR 70 Ca -0.02 -0.19 -0.39 0.00 -2.27 0.00 0.00 64.05 61.18 1bpq n THR 70 Cb 0.96 0.83 -0.03 0.00 -2.10 0.00 0.00 70.33 69.99 1bpq n THR 70 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1bpq s ASN 71 N -2.70 5.50 0.29 3.42 3.04 -0.07 -4.71 114.94 119.71 1bpq s ASN 71 Ca 0.03 0.27 -0.29 0.00 0.04 0.00 0.00 52.86 52.92 1bpq s ASN 71 Cb 0.11 -2.53 -0.10 0.00 -1.54 0.00 0.00 41.25 37.19 1bpq s ASN 71 CO 0.62 -2.21 1.26 0.20 -3.04 0.00 0.00 177.10 173.93 1bpq s ASN 72 N 7.05 6.92 0.35 -4.21 0.01 -1.26 0.01 114.94 123.82 1bpq s ASN 72 Ca 0.62 2.52 0.04 0.00 -0.71 0.00 0.00 52.86 55.34 1bpq s ASN 72 Cb -0.12 -2.63 -0.03 0.00 0.41 0.00 0.00 41.25 38.87 1bpq s ASN 72 CO 0.21 -0.44 0.17 -0.72 -1.51 0.00 0.00 177.10 174.82 1bpq s TYR 73 N -0.86 1.71 0.01 2.20 -0.85 -1.26 -4.83 117.35 113.47 1bpq s TYR 73 Ca 0.50 -1.40 0.08 0.00 -0.52 0.00 0.00 57.07 55.73 1bpq s TYR 73 Cb -0.37 -0.95 -0.03 0.00 0.38 0.00 0.00 41.96 40.99 1bpq s TYR 73 CO 0.47 -0.51 -0.24 -1.54 -1.52 0.00 0.00 175.55 172.22 1bpq s SER 74 N -3.47 3.33 0.16 -0.18 1.04 -1.26 -4.92 113.70 108.40 1bpq s SER 74 Ca 0.32 -0.48 -0.16 0.00 0.48 0.00 0.00 55.95 56.11 1bpq s SER 74 Cb 0.03 -0.42 0.03 0.00 0.10 0.00 0.00 66.02 65.76 1bpq s SER 74 CO 0.19 0.29 0.44 -0.72 0.98 0.00 0.00 173.24 174.42 1bpq s TYR 75 N -0.75 -0.10 0.10 5.02 1.13 -1.26 -1.43 117.35 120.06 1bpq s TYR 75 Ca 0.12 -0.24 0.09 0.00 -1.41 0.00 0.00 57.07 55.63 1bpq s TYR 75 Cb -0.10 0.28 -0.03 0.00 -1.10 0.00 0.00 41.96 41.00 1bpq s TYR 75 CO 0.01 -0.80 -0.23 -1.54 -2.51 0.00 0.00 175.55 170.48 1bpq s SER 76 N -2.85 2.85 -0.20 -0.18 1.04 -0.11 -4.96 113.70 109.28 1bpq s SER 76 Ca 0.07 -0.68 -0.10 0.00 0.48 0.00 0.00 55.95 55.72 1bpq s SER 76 Cb 0.01 -0.19 -0.05 0.00 0.10 0.00 0.00 66.02 65.89 1bpq s SER 76 CO -0.07 0.13 0.13 0.00 0.98 0.00 0.00 173.24 174.41 1bpq s SER 78 N 0.42 -0.02 -1.46 0.00 0.15 -0.57 -4.88 113.70 107.35 1bpq s SER 78 Ca 0.08 0.61 -0.11 0.00 0.70 0.00 0.00 55.95 57.23 1bpq s SER 78 Cb -0.11 0.62 0.05 0.00 -1.71 0.00 0.00 66.02 64.87 1bpq s SER 78 CO -0.01 -0.20 1.05 0.59 1.20 0.00 0.00 173.24 175.86 1bpq n ASN 79 N 4.79 -5.18 -2.14 5.45 3.02 -1.26 -1.29 115.26 118.65 1bpq n ASN 79 Ca -0.16 -0.69 -0.19 0.00 -0.03 0.00 0.00 54.58 53.51 1bpq n ASN 79 Cb 0.52 -4.32 -0.03 0.00 -0.61 0.00 0.00 39.78 35.33 1bpq n ASN 79 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bpq n ASN 80 N -2.91 -5.28 -4.31 6.41 4.13 -1.26 -4.99 115.26 107.05 1bpq n ASN 80 Ca 0.01 0.17 -0.23 0.00 1.68 0.00 0.00 54.58 56.21 1bpq n ASN 80 Cb 0.55 -4.50 -0.12 0.00 -1.54 0.00 0.00 39.78 34.17 1bpq n ASN 80 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1bpq s GLU 81 N -4.59 1.21 -0.17 3.52 0.41 -0.41 -4.58 118.70 114.09 1bpq s GLU 81 Ca 0.00 -1.29 -0.05 0.00 -0.41 0.00 0.00 54.97 53.22 1bpq s GLU 81 Cb 0.00 -1.39 -0.03 0.00 -1.78 0.00 0.00 34.13 30.93 1bpq s GLU 81 CO 0.00 0.30 -0.01 0.42 -0.49 0.00 0.00 175.26 175.48 1bpq s ILE 82 N -1.58 4.11 -0.09 -1.63 1.01 -1.26 -1.51 121.20 120.26 1bpq s ILE 82 Ca 0.11 -0.28 0.01 0.00 0.00 0.00 0.00 60.65 60.50 1bpq s ILE 82 Cb -0.08 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.59 1bpq s ILE 82 CO 0.05 0.48 -0.11 0.28 0.00 0.00 0.00 174.94 175.65 1bpq s THR 83 N 0.44 1.13 0.33 2.92 -1.32 -0.60 -4.99 115.64 113.55 1bpq s THR 83 Ca -0.02 -0.42 -0.26 0.00 -1.21 0.00 0.00 61.69 59.79 1bpq s THR 83 Cb -0.14 -1.07 -0.10 0.00 -1.51 0.00 0.00 72.50 69.68 1bpq s THR 83 CO 0.02 0.37 0.96 0.00 -2.21 0.00 0.00 174.62 173.76 1bpq s SER 85 N -1.59 7.13 0.66 0.00 0.15 -0.52 -4.93 113.70 114.61 1bpq s SER 85 Ca 0.51 1.42 0.42 0.00 0.70 0.00 0.00 55.95 59.01 1bpq s SER 85 Cb -0.19 -2.42 2.32 0.00 -1.71 0.00 0.00 66.02 64.02 1bpq s SER 85 CO 0.25 0.13 2.33 0.77 1.20 0.00 0.00 173.24 177.93 1bpq h SER 86 N 3.90 0.00 0.76 5.45 4.64 -1.96 -2.64 113.55 123.71 1bpq h SER 86 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1bpq h SER 86 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1bpq h SER 86 CO 0.65 0.00 0.00 -0.33 -0.87 0.00 0.00 176.83 176.28 1bpq h GLU 87 N 0.00 0.00 -6.71 4.77 4.39 -1.93 -3.44 114.58 111.66 1bpq h GLU 87 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.18 1bpq h GLU 87 Cb 0.05 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 28.76 1bpq h GLU 87 CO -0.00 0.00 0.85 -0.80 -1.16 0.00 0.00 179.01 177.90 1bpq s ASN 88 N -5.00 6.54 1.00 1.42 0.01 -1.00 -5.02 114.94 112.90 1bpq s ASN 88 Ca 0.02 2.73 -0.12 0.00 -0.71 0.00 0.00 52.86 54.78 1bpq s ASN 88 Cb 0.09 -2.61 0.19 0.00 0.41 0.00 0.00 41.25 39.33 1bpq s ASN 88 CO 0.45 -0.81 1.08 0.20 -1.51 0.00 0.00 177.10 176.51 1bpq s ASN 89 N 0.71 2.55 0.21 -1.22 0.02 -1.26 -4.66 114.94 111.29 1bpq s ASN 89 Ca 0.65 1.32 -0.10 0.00 -1.02 0.00 0.00 52.86 53.71 1bpq s ASN 89 Cb -0.44 -2.00 0.23 0.00 0.02 0.00 0.00 41.25 39.06 1bpq s ASN 89 CO 0.40 -3.19 1.81 0.00 0.02 0.00 0.00 177.10 176.13 1bpq h ALA 90 N -1.93 0.87 0.01 0.60 0.00 -1.96 0.83 119.26 117.68 1bpq h ALA 90 Ca -0.54 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1bpq h ALA 90 Cb 1.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1bpq h ALA 90 CO 0.56 0.05 -0.01 0.00 0.00 0.00 0.00 179.25 179.85 1bpq h GLU 92 N -0.23 0.00 -0.10 0.00 4.11 -1.82 -1.34 114.58 115.19 1bpq h GLU 92 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 1bpq h GLU 92 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1bpq h GLU 92 CO 0.00 0.38 -0.66 0.00 0.07 0.00 0.00 179.01 178.80 1bpq h ALA 93 N 1.62 0.67 -0.27 1.06 0.00 -0.67 -0.44 119.26 121.25 1bpq h ALA 93 Ca -0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.23 1bpq h ALA 93 Cb 0.75 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1bpq h ALA 93 CO 0.05 0.73 -0.25 0.35 0.00 0.00 0.00 179.25 180.14 1bpq h PHE 94 N 0.29 0.77 -0.78 0.00 3.04 -0.23 -2.08 116.94 117.94 1bpq h PHE 94 Ca -0.02 -0.23 -0.01 0.00 3.98 0.00 0.00 57.97 61.70 1bpq h PHE 94 Cb 1.21 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 39.52 1bpq h PHE 94 CO 0.04 0.94 0.45 0.82 -2.02 0.00 0.00 178.31 178.55 1bpq h ILE 95 N 0.37 1.23 -0.95 1.41 2.04 -1.21 -1.23 117.51 119.16 1bpq h ILE 95 Ca 0.05 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.38 1bpq h ILE 95 Cb 0.81 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.99 1bpq h ILE 95 CO 0.06 0.24 0.62 0.00 0.00 0.00 0.00 178.15 179.08 1bpq h ASN 97 N 1.29 0.68 -0.39 0.00 -1.24 -0.74 0.04 115.58 115.21 1bpq h ASN 97 Ca 0.35 -0.37 0.08 0.00 0.71 0.00 0.00 56.30 57.07 1bpq h ASN 97 Cb -0.14 -0.18 -0.08 0.00 0.73 0.00 0.00 38.32 38.65 1bpq h ASN 97 CO -0.07 0.89 -0.15 0.00 -1.29 0.00 0.00 177.43 176.81 1bpq h ASP 99 N -0.07 0.98 -0.39 0.00 5.19 -1.09 -0.81 116.42 120.24 1bpq h ASP 99 Ca 0.19 -0.34 -0.02 0.00 -0.62 0.00 0.00 57.03 56.24 1bpq h ASP 99 Cb 0.36 -0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 1bpq h ASP 99 CO -0.44 1.12 0.16 -0.09 -3.12 0.00 0.00 179.24 176.87 1bpq h ARG 100 N 0.86 0.57 -0.58 3.56 2.43 -0.75 -0.02 114.38 120.45 1bpq h ARG 100 Ca 0.13 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 1bpq h ARG 100 Cb 0.71 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1bpq h ARG 100 CO 0.05 0.54 0.19 -0.91 -1.51 0.00 0.00 179.97 178.34 1bpq h ASN 101 N 0.48 0.84 -0.50 -3.80 2.35 -0.96 -1.98 115.58 112.01 1bpq h ASN 101 Ca 0.13 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 1bpq h ASN 101 Cb 0.18 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1bpq h ASN 101 CO -0.01 0.82 0.29 0.00 -1.65 0.00 0.00 177.43 176.87 1bpq h ALA 102 N 1.06 0.63 -0.71 -0.83 0.00 -0.96 -0.49 119.26 117.95 1bpq h ALA 102 Ca 0.19 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1bpq h ALA 102 Cb 0.27 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1bpq h ALA 102 CO -0.01 0.13 0.47 0.00 0.00 0.00 0.00 179.25 179.84 1bpq h ALA 103 N 1.13 0.91 0.20 0.00 0.00 -0.56 0.84 119.26 121.78 1bpq h ALA 103 Ca 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1bpq h ALA 103 Cb 0.01 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1bpq h ALA 103 CO -0.03 0.31 -0.09 0.82 0.00 0.00 0.00 179.25 180.25 1bpq h ILE 104 N 0.95 0.85 -0.59 0.00 2.04 -1.25 -2.44 117.51 117.07 1bpq h ILE 104 Ca 0.27 -0.21 0.11 0.00 1.00 0.00 0.00 64.86 66.03 1bpq h ILE 104 Cb -0.08 0.98 -0.09 0.00 -0.74 0.00 0.00 36.82 36.89 1bpq h ILE 104 CO -0.07 0.05 0.11 0.00 0.00 0.00 0.00 178.15 178.24 1bpq h PHE 106 N 0.24 0.98 0.00 0.00 -1.00 -0.65 -1.38 116.94 115.12 1bpq h PHE 106 Ca 0.31 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.12 1bpq h PHE 106 Cb 0.47 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 39.73 1bpq h PHE 106 CO -0.26 0.35 0.00 -1.13 -1.61 0.00 0.00 178.31 175.66 1bpq n SER 107 N -4.72 0.16 -0.46 2.17 3.41 -0.65 -3.43 113.62 110.10 1bpq n SER 107 Ca 0.17 0.52 0.06 0.00 -0.26 0.00 0.00 58.87 59.37 1bpq n SER 107 Cb 0.37 -0.57 0.04 0.00 -0.26 0.00 0.00 64.21 63.80 1bpq n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bpq n LYS 108 N -1.66 0.90 -4.45 4.33 4.76 -0.53 -5.01 118.16 116.50 1bpq n LYS 108 Ca 0.05 -1.15 -0.24 0.00 -2.87 0.00 0.00 58.31 54.10 1bpq n LYS 108 Cb 0.29 -1.22 -0.10 0.00 -1.84 0.00 0.00 35.03 32.15 1bpq n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1bpq s VAL 109 N -1.10 2.38 0.57 -0.18 -7.23 -1.17 -5.09 120.40 108.58 1bpq s VAL 109 Ca 0.14 -2.30 -0.20 0.00 -1.81 0.00 0.00 61.98 57.81 1bpq s VAL 109 Cb 0.10 -2.23 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 1bpq s VAL 109 CO 0.17 -0.35 1.28 -2.84 -0.31 0.00 0.00 175.10 173.05 1bpq s PRO 110 N -3.32 3.02 -0.29 4.82 0.02 -1.26 -4.96 135.00 133.02 1bpq s PRO 110 Ca 0.27 2.03 -0.10 0.00 0.02 0.00 0.00 61.00 63.22 1bpq s PRO 110 Cb -0.05 -2.08 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 1bpq s PRO 110 CO 0.13 -1.23 0.16 -0.47 -0.33 0.00 0.00 177.00 175.26 1bpq s TYR 111 N -1.43 3.18 -0.91 6.54 6.14 -1.26 -4.50 117.35 125.11 1bpq s TYR 111 Ca 0.75 -0.28 -0.09 0.00 0.64 0.00 0.00 57.07 58.09 1bpq s TYR 111 Cb -0.36 -2.35 0.23 0.00 0.42 0.00 0.00 41.96 39.90 1bpq s TYR 111 CO 0.40 -0.33 0.84 -0.80 0.64 0.00 0.00 175.55 176.30 1bpq s ASN 112 N 1.67 6.63 0.28 4.32 0.02 -1.26 -4.94 114.94 121.66 1bpq s ASN 112 Ca 0.06 -3.17 0.23 0.00 -1.02 0.00 0.00 52.86 48.96 1bpq s ASN 112 Cb -0.16 -2.12 0.90 0.00 0.02 0.00 0.00 41.25 39.89 1bpq s ASN 112 CO 0.08 -0.39 0.86 2.29 0.02 0.00 0.00 177.10 179.96 1bpq n LYS 113 N 3.23 -0.01 0.08 -0.60 0.00 -1.26 -0.26 118.16 119.35 1bpq n LYS 113 Ca 0.18 0.64 0.11 0.00 -0.00 0.00 0.00 58.31 59.23 1bpq n LYS 113 Cb 0.42 -1.37 0.44 0.00 -0.00 0.00 0.00 35.03 34.51 1bpq n LYS 113 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1bpq n GLU 114 N -3.37 0.13 0.00 -1.58 0.00 -1.26 -1.59 120.64 112.97 1bpq n GLU 114 Ca 0.24 0.33 0.14 0.00 0.00 0.00 0.00 57.16 57.87 1bpq n GLU 114 Cb 1.01 -1.74 0.59 0.00 0.00 0.00 0.00 31.44 31.30 1bpq n GLU 114 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1bpq n HIS 115 N -1.99 0.00 -2.14 -1.84 8.25 0.64 -4.80 115.22 113.34 1bpq n HIS 115 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 1bpq n HIS 115 Cb 0.24 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.27 1bpq n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1bpq s LYS 116 N -2.15 4.29 -1.39 -0.41 2.47 -0.62 -1.53 119.74 120.41 1bpq s LYS 116 Ca 0.36 2.10 -0.09 0.00 -1.56 0.00 0.00 55.97 56.79 1bpq s LYS 116 Cb 0.21 -3.33 0.03 0.00 -1.46 0.00 0.00 37.83 33.28 1bpq s LYS 116 CO 0.39 -0.51 1.08 0.09 0.16 0.00 0.00 175.35 176.56 1bpq n ASN 117 N 4.37 -5.12 -4.72 1.43 4.13 0.77 -4.87 115.26 111.24 1bpq n ASN 117 Ca 0.12 -0.64 -0.42 0.00 1.68 0.00 0.00 54.58 55.33 1bpq n ASN 117 Cb 0.42 -4.66 -0.03 0.00 -1.54 0.00 0.00 39.78 33.98 1bpq n ASN 117 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1bpq s LEU 118 N -7.16 4.37 -0.11 3.41 2.96 -1.12 -4.89 118.68 116.14 1bpq s LEU 118 Ca 0.51 2.73 -0.29 0.00 -0.22 0.00 0.00 54.13 56.86 1bpq s LEU 118 Cb -0.24 -3.60 -0.06 0.00 0.50 0.00 0.00 46.19 42.80 1bpq s LEU 118 CO 0.76 -0.88 1.83 -0.62 -1.32 0.00 0.00 176.35 176.12 1bpq s ASP 119 N 1.11 6.30 0.00 3.68 -1.08 -1.26 -4.87 116.67 120.55 1bpq s ASP 119 Ca 0.71 2.11 0.00 0.00 -0.52 0.00 0.00 52.55 54.86 1bpq s ASP 119 Cb -0.46 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.47 1bpq s ASP 119 CO 0.33 -1.24 0.67 0.29 0.52 0.00 0.00 175.17 175.73 1bpq n LYS 120 N 7.69 0.77 0.09 4.34 4.76 -1.26 -1.64 118.16 132.91 1bpq n LYS 120 Ca 0.21 0.00 0.06 0.00 -2.87 0.00 0.00 58.31 55.71 1bpq n LYS 120 Cb 0.43 -1.10 0.52 0.00 -1.84 0.00 0.00 35.03 33.04 1bpq n LYS 120 CO 0.00 0.00 0.00 1.57 -1.37 0.00 0.00 177.40 177.60 1bpq h LYS 121 N 0.06 0.32 0.00 1.97 2.10 -2.02 -3.21 116.57 115.78 1bpq h LYS 121 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1bpq h LYS 121 Cb 0.10 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 1bpq h LYS 121 CO 0.00 0.21 0.00 0.09 -2.00 0.00 0.00 179.45 177.75 1bpq n ASN 122 N -4.50 0.00 -0.40 7.07 3.02 -0.65 -5.19 115.26 114.61 1bpq n ASN 122 Ca 0.01 -1.36 0.05 0.00 -0.03 0.00 0.00 54.58 53.25 1bpq n ASN 122 Cb 0.10 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.31 1bpq n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64