#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1axq s PHE 2 N 0.00 3.48 -0.04 0.00 0.40 -1.26 -0.95 117.98 119.61 1axq s PHE 2 Ca 0.00 0.57 0.02 0.00 -0.60 0.00 0.00 56.93 56.92 1axq s PHE 2 Cb 0.00 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.49 1axq s PHE 2 CO 0.00 0.19 -0.10 0.08 0.70 0.00 0.00 175.22 176.09 1axq s VAL 3 N -2.08 0.92 -0.13 -0.44 1.01 0.14 -4.70 120.40 115.11 1axq s VAL 3 Ca 0.43 -0.40 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 1axq s VAL 3 Cb -0.11 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1axq s VAL 3 CO 0.31 0.29 0.51 -0.69 0.00 0.00 0.00 175.10 175.52 1axq s VAL 4 N 0.39 5.15 0.00 2.92 1.01 -1.26 -1.81 120.40 126.80 1axq s VAL 4 Ca -0.07 1.01 0.00 0.00 0.00 0.00 0.00 61.98 62.92 1axq s VAL 4 Cb -0.12 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1axq s VAL 4 CO 0.01 0.28 0.00 0.35 0.00 0.00 0.00 175.10 175.75 1axq n THR 5 N 3.90 0.00 -0.33 3.92 -2.24 -0.01 -4.86 114.28 114.66 1axq n THR 5 Ca -0.06 0.00 0.20 0.00 -2.27 0.00 0.00 64.05 61.92 1axq n THR 5 Cb 0.51 -0.56 0.41 0.00 -2.10 0.00 0.00 70.33 68.59 1axq n THR 5 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1axq h ASP 6 N 0.00 0.46 1.22 3.42 3.58 -1.95 -2.64 116.42 120.50 1axq h ASP 6 Ca 0.00 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1axq h ASP 6 Cb 0.00 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1axq h ASP 6 CO 0.00 -0.07 0.00 -1.13 -2.88 0.00 0.00 179.24 175.16 1axq h ASN 7 N 0.38 0.00 -0.26 2.28 -1.24 -1.89 -1.50 115.58 113.34 1axq h ASN 7 Ca 0.67 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.62 1axq h ASN 7 Cb 1.41 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.44 1axq h ASN 7 CO -0.57 0.00 -0.01 0.00 -1.29 0.00 0.00 177.43 175.55 1axq n ILE 9 N -4.25 0.01 -0.86 0.00 5.41 -0.57 -0.81 119.36 118.29 1axq n ILE 9 Ca 0.02 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.77 1axq n ILE 9 Cb 0.27 -1.37 0.00 0.00 -0.71 0.00 0.00 39.64 37.83 1axq n ILE 9 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1axq n LYS 10 N 3.23 -0.77 -0.00 0.38 5.02 -0.53 -4.76 118.16 120.74 1axq n LYS 10 Ca 0.17 0.19 -0.02 0.00 -2.02 0.00 0.00 58.31 56.63 1axq n LYS 10 Cb 0.26 -4.13 -0.01 0.00 -0.02 0.00 0.00 35.03 31.14 1axq n LYS 10 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1axq n LYS 12 N -3.45 -1.14 0.01 0.00 4.81 -0.47 -2.43 118.16 115.50 1axq n LYS 12 Ca -0.04 0.50 -0.02 0.00 -0.87 0.00 0.00 58.31 57.88 1axq n LYS 12 Cb 0.14 -3.90 0.24 0.00 0.02 0.00 0.00 35.03 31.53 1axq n LYS 12 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1axq h TYR 13 N -1.71 0.53 -0.40 5.64 0.05 -1.90 -3.34 116.97 115.86 1axq h TYR 13 Ca -0.63 -0.09 -0.17 0.00 0.05 0.00 0.00 58.73 57.89 1axq h TYR 13 Cb 1.35 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 38.88 1axq h TYR 13 CO 0.32 0.63 -0.15 0.25 -1.05 0.00 0.00 178.16 178.16 1axq n THR 14 N -4.18 0.00 0.05 -2.88 -2.24 -1.26 -4.17 114.28 99.59 1axq n THR 14 Ca 0.00 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.87 1axq n THR 14 Cb 0.34 -1.21 0.53 0.00 -2.10 0.00 0.00 70.33 67.89 1axq n THR 14 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1axq h ASP 15 N 0.00 0.27 -0.28 3.42 3.32 -1.89 -2.24 116.42 119.02 1axq h ASP 15 Ca -0.17 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1axq h ASP 15 Cb 0.89 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1axq h ASP 15 CO 0.25 0.19 0.18 0.00 -1.72 0.00 0.00 179.24 178.14 1axq h VAL 17 N 0.37 0.78 -0.99 0.00 -1.51 -1.79 -3.15 116.25 109.97 1axq h VAL 17 Ca 0.10 -1.03 0.08 0.00 -1.23 0.00 0.00 66.70 64.62 1axq h VAL 17 Cb -0.04 1.63 -0.07 0.00 -2.13 0.00 0.00 31.29 30.68 1axq h VAL 17 CO -0.02 0.25 0.63 -0.08 -1.23 0.00 0.00 177.57 177.12 1axq h GLU 18 N 0.00 1.06 0.00 5.19 4.57 -1.43 -2.73 114.58 121.24 1axq h GLU 18 Ca -0.00 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1axq h GLU 18 Cb 0.61 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1axq h GLU 18 CO 0.03 0.70 -1.08 1.55 -1.18 0.00 0.00 179.01 179.03 1axq n VAL 19 N -4.53 0.58 -1.77 0.32 3.14 -1.19 -4.94 118.33 109.94 1axq n VAL 19 Ca 0.16 -0.55 -0.42 0.00 -2.96 0.00 0.00 64.34 60.57 1axq n VAL 19 Cb 0.24 -0.31 -0.03 0.00 -1.06 0.00 0.00 33.84 32.68 1axq n VAL 19 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1axq h PRO 21 N 9.95 0.00 -0.01 0.00 0.13 -1.92 -3.28 132.00 136.88 1axq h PRO 21 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1axq h PRO 21 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1axq h PRO 21 CO 0.94 0.00 -0.30 1.33 -0.23 0.00 0.00 178.00 179.74 1axq n VAL 22 N -2.91 0.00 -3.20 1.56 0.24 -1.26 -5.02 118.33 107.73 1axq n VAL 22 Ca 0.04 -0.35 -0.15 0.00 -2.04 0.00 0.00 64.34 61.84 1axq n VAL 22 Cb 0.52 1.11 0.07 0.00 -1.47 0.00 0.00 33.84 34.07 1axq n VAL 22 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1axq n ASP 23 N -0.42 -6.43 -1.80 -1.34 8.00 -1.24 -4.96 116.55 108.36 1axq n ASP 23 Ca 0.04 -0.69 -0.19 0.00 0.71 0.00 0.00 54.79 54.67 1axq n ASP 23 Cb 0.23 -5.08 0.14 0.00 -0.02 0.00 0.00 41.12 36.39 1axq n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1axq s PHE 25 N -3.46 3.46 -0.02 0.00 0.08 -1.26 -0.66 117.98 116.12 1axq s PHE 25 Ca 0.53 0.36 0.04 0.00 0.12 0.00 0.00 56.93 57.98 1axq s PHE 25 Cb 0.45 -1.84 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 1axq s PHE 25 CO 0.02 0.64 -0.12 0.71 -0.10 0.00 0.00 175.22 176.37 1axq s TYR 26 N -1.14 1.12 -0.22 0.36 1.51 -0.18 -1.51 117.35 117.29 1axq s TYR 26 Ca 0.20 -0.24 -0.09 0.00 -1.01 0.00 0.00 57.07 55.93 1axq s TYR 26 Cb -0.12 -0.74 -0.05 0.00 -0.11 0.00 0.00 41.96 40.94 1axq s TYR 26 CO 0.11 -0.05 0.12 -2.00 -1.11 0.00 0.00 175.55 172.62 1axq s GLU 27 N -0.16 4.03 0.45 -0.62 2.12 0.02 -1.21 118.70 123.34 1axq s GLU 27 Ca 0.02 -0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.11 1axq s GLU 27 Cb -0.06 -3.42 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 1axq s GLU 27 CO -0.00 0.13 0.13 0.20 -0.54 0.00 0.00 175.26 175.18 1axq s GLY 28 N 0.82 2.54 0.44 -1.50 0.00 -0.39 -4.04 107.32 105.19 1axq s GLY 28 Ca 0.06 -1.65 0.16 0.00 0.00 0.00 0.00 44.72 43.29 1axq s GLY 28 CO 0.02 -2.03 1.95 -2.55 0.00 0.00 0.00 173.10 170.49 1axq h PRO 29 N 1.40 0.36 0.00 2.90 0.11 -1.87 -3.26 132.00 131.64 1axq h PRO 29 Ca -0.43 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 1axq h PRO 29 Cb 1.27 -0.08 -0.24 0.00 0.11 0.00 0.00 31.00 32.06 1axq h PRO 29 CO 0.72 0.24 -0.65 0.27 -0.21 0.00 0.00 178.00 178.37 1axq n ASN 30 N -4.46 0.10 -3.50 -2.05 0.23 -1.26 -5.04 115.26 99.28 1axq n ASN 30 Ca 0.12 -1.94 -0.11 0.00 -0.53 0.00 0.00 54.58 52.13 1axq n ASN 30 Cb 0.48 -0.05 -0.03 0.00 -2.08 0.00 0.00 39.78 38.11 1axq n ASN 30 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1axq s PHE 31 N 0.00 -0.44 0.11 -2.53 5.36 -1.23 -1.46 117.98 117.79 1axq s PHE 31 Ca 0.16 0.44 0.10 0.00 -0.96 0.00 0.00 56.93 56.68 1axq s PHE 31 Cb 0.19 0.51 -0.04 0.00 -0.34 0.00 0.00 43.02 43.34 1axq s PHE 31 CO -0.08 -0.59 -0.25 -0.51 -1.46 0.00 0.00 175.22 172.33 1axq s LEU 32 N -2.11 2.36 0.16 6.12 1.02 -1.26 -1.26 118.68 123.71 1axq s LEU 32 Ca 0.01 -0.68 0.07 0.00 0.02 0.00 0.00 54.13 53.54 1axq s LEU 32 Cb -0.01 -1.29 -0.04 0.00 0.02 0.00 0.00 46.19 44.87 1axq s LEU 32 CO -0.05 0.20 -0.14 0.68 0.02 0.00 0.00 176.35 177.05 1axq s VAL 33 N -1.02 1.51 -0.16 -1.59 -7.23 -0.35 -4.75 120.40 106.81 1axq s VAL 33 Ca 0.14 -1.94 -0.12 0.00 -1.81 0.00 0.00 61.98 58.25 1axq s VAL 33 Cb -0.10 -1.78 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 1axq s VAL 33 CO 0.06 -0.50 0.24 -0.63 -0.31 0.00 0.00 175.10 173.96 1axq s ILE 34 N -2.53 5.34 -0.23 -0.62 1.01 -1.26 -1.01 121.20 121.90 1axq s ILE 34 Ca 0.15 0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.95 1axq s ILE 34 Cb -0.03 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1axq s ILE 34 CO 0.04 0.43 1.17 -2.28 0.00 0.00 0.00 174.94 174.30 1axq s HIS 35 N 0.24 3.03 0.17 3.97 5.65 0.17 -4.54 115.29 123.97 1axq s HIS 35 Ca 0.14 1.17 0.33 0.00 0.25 0.00 0.00 55.06 56.95 1axq s HIS 35 Cb -0.13 -3.52 1.42 0.00 -1.18 0.00 0.00 32.58 29.18 1axq s HIS 35 CO 0.03 -1.16 2.01 -1.00 -0.65 0.00 0.00 174.74 173.96 1axq h PRO 36 N 8.11 0.00 0.00 2.88 0.13 -1.90 -1.50 132.00 139.72 1axq h PRO 36 Ca -0.23 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.70 1axq h PRO 36 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1axq h PRO 36 CO 0.99 0.03 -1.09 -0.44 -0.23 0.00 0.00 178.00 177.26 1axq h ASP 37 N 0.00 0.00 0.38 1.44 3.32 -1.99 -3.36 116.42 116.22 1axq h ASP 37 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.73 1axq h ASP 37 Cb 0.48 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1axq h ASP 37 CO 0.00 0.82 -1.63 -0.33 -1.72 0.00 0.00 179.24 176.38 1axq h GLU 38 N 0.00 0.24 -6.65 3.56 5.08 -1.75 -3.46 114.58 111.60 1axq h GLU 38 Ca -0.09 -0.42 -0.56 0.00 -1.00 0.00 0.00 59.36 57.29 1axq h GLU 38 Cb 1.70 0.16 0.08 0.00 0.50 0.00 0.00 28.75 31.18 1axq h GLU 38 CO 0.09 1.09 0.78 0.00 -1.00 0.00 0.00 179.01 179.97 1axq n ILE 40 N 2.51 0.95 -3.45 0.00 -5.35 -1.26 -4.76 119.36 108.00 1axq n ILE 40 Ca 0.12 -0.97 -0.24 0.00 -0.27 0.00 0.00 62.75 61.39 1axq n ILE 40 Cb 0.33 0.55 0.06 0.00 -1.74 0.00 0.00 39.64 38.84 1axq n ILE 40 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1axq n ASP 41 N 1.27 -6.23 0.08 7.28 8.00 -1.26 -4.88 116.55 120.80 1axq n ASP 41 Ca 0.20 -0.48 0.13 0.00 0.71 0.00 0.00 54.79 55.35 1axq n ASP 41 Cb 0.55 -4.94 0.46 0.00 -0.02 0.00 0.00 41.12 37.18 1axq n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1axq n ALA 43 N -1.71 -0.40 0.15 0.00 0.00 -1.26 -4.84 120.51 112.46 1axq n ALA 43 Ca 0.05 0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.81 1axq n ALA 43 Cb 0.38 -2.08 0.14 0.00 0.00 0.00 0.00 19.45 17.89 1axq n ALA 43 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1axq h LEU 44 N 0.00 0.00 -0.18 0.00 4.07 -1.92 -3.30 115.31 113.98 1axq h LEU 44 Ca -0.44 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.36 1axq h LEU 44 Cb 1.35 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.07 1axq h LEU 44 CO 0.61 0.51 -0.76 0.00 -1.08 0.00 0.00 178.44 177.72 1axq h GLU 46 N 0.00 0.00 -0.24 0.00 4.11 -1.90 -1.41 114.58 115.13 1axq h GLU 46 Ca -0.01 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1axq h GLU 46 Cb 1.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 1axq h GLU 46 CO 0.10 0.36 0.16 -1.35 0.07 0.00 0.00 179.01 178.35 1axq h PRO 47 N 0.00 0.27 0.00 1.06 0.11 -1.80 -3.21 132.00 128.43 1axq h PRO 47 Ca -0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1axq h PRO 47 Cb 0.99 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1axq h PRO 47 CO 0.05 0.18 0.00 0.93 -0.21 0.00 0.00 178.00 178.95 1axq h GLU 48 N 0.28 0.00 -6.35 1.05 4.39 -1.44 -3.45 114.58 109.07 1axq h GLU 48 Ca 0.09 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.23 1axq h GLU 48 Cb 0.04 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 1axq h GLU 48 CO -0.02 0.00 1.08 0.00 -1.16 0.00 0.00 179.01 178.91 1axq h PRO 50 N 10.40 0.01 -0.01 0.00 0.11 -1.92 -1.13 132.00 139.47 1axq h PRO 50 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1axq h PRO 50 Cb 1.13 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1axq h PRO 50 CO 1.03 0.01 -0.10 0.00 -0.21 0.00 0.00 178.00 178.73 1axq n ALA 51 N -2.54 2.77 -4.11 -0.75 0.00 -1.26 -4.91 120.51 109.71 1axq n ALA 51 Ca -0.03 -0.32 -0.31 0.00 0.00 0.00 0.00 53.44 52.78 1axq n ALA 51 Cb 0.09 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 1axq n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1axq n GLN 52 N -0.68 -3.09 0.04 0.00 1.13 -0.43 -4.84 117.38 109.51 1axq n GLN 52 Ca 0.16 0.37 0.12 0.00 -1.94 0.00 0.00 57.00 55.70 1axq n GLN 52 Cb 0.29 -4.74 0.07 0.00 0.11 0.00 0.00 30.24 25.97 1axq n GLN 52 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1axq n ALA 53 N -4.41 3.19 -2.29 -1.58 0.00 -1.26 -4.90 120.51 109.26 1axq n ALA 53 Ca -0.12 -0.34 -0.39 0.00 0.00 0.00 0.00 53.44 52.59 1axq n ALA 53 Cb 0.59 -1.05 -0.06 0.00 0.00 0.00 0.00 19.45 18.94 1axq n ALA 53 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1axq s ILE 54 N -3.20 4.73 0.01 0.00 1.01 -1.26 -0.83 121.20 121.66 1axq s ILE 54 Ca 0.04 1.28 -0.00 0.00 0.00 0.00 0.00 60.65 61.97 1axq s ILE 54 Cb 0.14 -3.93 -0.01 0.00 0.01 0.00 0.00 42.46 38.67 1axq s ILE 54 CO 0.77 0.52 -0.01 -0.36 0.00 0.00 0.00 174.94 175.87 1axq s PHE 55 N -0.92 0.10 0.41 3.97 0.40 -0.75 -4.89 117.98 116.31 1axq s PHE 55 Ca 0.30 -0.21 -0.26 0.00 -0.60 0.00 0.00 56.93 56.17 1axq s PHE 55 Cb -0.20 -0.08 -0.09 0.00 0.51 0.00 0.00 43.02 43.17 1axq s PHE 55 CO 0.19 -0.08 1.31 0.45 0.70 0.00 0.00 175.22 177.80 1axq s SER 56 N -0.60 6.26 0.28 1.36 0.15 -1.26 0.24 113.70 120.12 1axq s SER 56 Ca -0.07 2.67 -0.01 0.00 0.70 0.00 0.00 55.95 59.24 1axq s SER 56 Cb -0.04 -2.64 0.62 0.00 -1.71 0.00 0.00 66.02 62.25 1axq s SER 56 CO -0.00 -0.89 1.63 -0.08 1.20 0.00 0.00 173.24 175.10 1axq h GLU 57 N 2.62 0.13 0.00 5.44 4.81 -1.37 0.21 114.58 126.42 1axq h GLU 57 Ca -0.50 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1axq h GLU 57 Cb 1.25 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1axq h GLU 57 CO 0.62 0.08 0.00 -0.40 -0.73 0.00 0.00 179.01 178.59 1axq n ASP 58 N -5.32 0.00 -0.25 1.04 5.68 -1.26 -2.63 116.55 113.80 1axq n ASP 58 Ca 0.19 -0.35 0.03 0.00 -0.50 0.00 0.00 54.79 54.16 1axq n ASP 58 Cb 0.62 -0.17 0.04 0.00 -1.14 0.00 0.00 41.12 40.47 1axq n ASP 58 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1axq n GLU 59 N -1.17 0.55 -1.68 0.11 1.02 0.69 -5.00 120.64 115.16 1axq n GLU 59 Ca 0.14 -1.07 -0.45 0.00 -0.02 0.00 0.00 57.16 55.77 1axq n GLU 59 Cb 0.15 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 30.43 1axq n GLU 59 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1axq n VAL 60 N 0.24 0.55 -1.38 2.62 0.31 -0.93 -4.85 118.33 114.89 1axq n VAL 60 Ca 0.04 -0.14 -0.35 0.00 -0.01 0.00 0.00 64.34 63.88 1axq n VAL 60 Cb 0.19 -1.56 0.10 0.00 -0.91 0.00 0.00 33.84 31.66 1axq n VAL 60 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1axq n PRO 61 N 2.64 0.58 -0.18 5.55 -0.02 -1.26 -4.86 135.00 137.45 1axq n PRO 61 Ca 0.14 0.26 -0.07 0.00 -2.02 0.00 0.00 63.50 61.80 1axq n PRO 61 Cb 0.31 -2.39 0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1axq n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1axq h GLU 62 N -0.24 0.70 0.00 -0.52 4.22 -2.01 -1.32 114.58 115.41 1axq h GLU 62 Ca -0.48 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 58.90 1axq h GLU 62 Cb 1.32 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1axq h GLU 62 CO 0.48 0.50 0.00 -0.40 -2.18 0.00 0.00 179.01 177.42 1axq n ASP 63 N -4.69 0.00 -0.07 1.04 5.75 -1.26 -2.62 116.55 114.70 1axq n ASP 63 Ca 0.03 -1.15 0.04 0.00 -0.01 0.00 0.00 54.79 53.70 1axq n ASP 63 Cb 0.05 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.19 1axq n ASP 63 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1axq n MET 64 N -0.66 1.79 0.30 0.11 2.81 -0.50 -4.82 117.12 116.14 1axq n MET 64 Ca 0.05 -1.77 0.19 0.00 -1.81 0.00 0.00 57.70 54.36 1axq n MET 64 Cb 0.02 -1.10 0.99 0.00 -0.71 0.00 0.00 33.22 32.42 1axq n MET 64 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1axq h GLN 65 N 0.00 0.00 -0.77 0.03 1.08 -1.45 -0.62 115.11 113.38 1axq h GLN 65 Ca 0.00 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.25 1axq h GLN 65 Cb 0.82 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.19 1axq h GLN 65 CO 0.00 0.00 0.47 0.93 -0.95 0.00 0.00 178.83 179.28 1axq h GLU 66 N 0.00 0.87 -0.03 1.46 3.07 -1.87 -3.02 114.58 115.05 1axq h GLU 66 Ca 0.03 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.84 1axq h GLU 66 Cb 0.31 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1axq h GLU 66 CO -0.00 0.57 0.03 0.74 -1.40 0.00 0.00 179.01 178.95 1axq h PHE 67 N 0.89 0.00 0.26 4.33 0.04 -1.45 -1.95 116.94 119.06 1axq h PHE 67 Ca 0.33 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.08 1axq h PHE 67 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1axq h PHE 67 CO -0.04 0.00 -0.13 0.82 -0.60 0.00 0.00 178.31 178.36 1axq h ILE 68 N 0.00 0.77 -0.20 -0.55 2.04 -1.71 0.06 117.51 117.91 1axq h ILE 68 Ca 0.01 -0.17 -0.14 0.00 1.00 0.00 0.00 64.86 65.57 1axq h ILE 68 Cb 0.07 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1axq h ILE 68 CO -0.00 0.04 -0.45 -0.61 0.00 0.00 0.00 178.15 177.13 1axq h GLN 69 N -0.44 0.51 -0.92 2.37 4.15 -1.62 -2.84 115.11 116.33 1axq h GLN 69 Ca -0.04 -0.28 0.01 0.00 0.77 0.00 0.00 58.65 59.12 1axq h GLN 69 Cb 0.33 0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.99 1axq h GLN 69 CO 0.06 0.86 0.60 -0.07 -1.93 0.00 0.00 178.83 178.35 1axq h LEU 70 N 0.41 1.06 -0.72 -2.39 3.38 -1.03 -0.60 115.31 115.41 1axq h LEU 70 Ca 0.03 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1axq h LEU 70 Cb 0.95 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1axq h LEU 70 CO 0.08 0.77 0.25 0.78 0.09 0.00 0.00 178.44 180.41 1axq h ASN 71 N 1.24 1.03 -0.14 -0.43 -0.26 -0.91 -1.12 115.58 115.00 1axq h ASN 71 Ca 0.33 -0.20 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 1axq h ASN 71 Cb -0.14 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 36.85 1axq h ASN 71 CO -0.07 0.95 0.05 0.00 -1.06 0.00 0.00 177.43 177.30 1axq h ALA 72 N 1.12 0.18 0.21 -0.83 0.00 -1.06 -1.94 119.26 116.94 1axq h ALA 72 Ca 0.24 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1axq h ALA 72 Cb 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1axq h ALA 72 CO -0.01 -0.21 -0.29 0.93 0.00 0.00 0.00 179.25 179.66 1axq h GLU 73 N 0.05 -0.55 0.00 0.00 4.39 -1.09 -3.04 114.58 114.34 1axq h GLU 73 Ca 0.04 0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1axq h GLU 73 Cb 0.20 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1axq h GLU 73 CO -0.00 -0.36 -0.13 -0.07 -1.16 0.00 0.00 179.01 177.28 1axq h LEU 74 N -0.57 0.00 -1.65 1.33 3.38 -1.22 -2.68 115.31 113.91 1axq h LEU 74 Ca 0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1axq h LEU 74 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1axq h LEU 74 CO -0.11 0.13 -0.20 0.00 0.09 0.00 0.00 178.44 178.35 1axq h ALA 75 N 1.87 1.43 0.00 1.53 0.00 -1.23 -0.86 119.26 122.00 1axq h ALA 75 Ca -0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1axq h ALA 75 Cb 0.86 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1axq h ALA 75 CO 0.02 0.25 -0.00 0.93 0.00 0.00 0.00 179.25 180.44 1axq h GLU 76 N 0.00 0.00 0.00 0.00 4.39 -1.46 -3.36 114.58 114.14 1axq h GLU 76 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1axq h GLU 76 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1axq h GLU 76 CO 0.03 0.00 -1.01 1.33 -1.16 0.00 0.00 179.01 178.20 1axq n VAL 77 N -3.10 0.00 -3.34 3.13 0.24 -0.44 -5.02 118.33 109.80 1axq n VAL 77 Ca 0.02 -0.13 -0.30 0.00 -2.04 0.00 0.00 64.34 61.89 1axq n VAL 77 Cb 0.41 0.51 -0.04 0.00 -1.47 0.00 0.00 33.84 33.25 1axq n VAL 77 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1axq s TRP 78 N -2.10 3.46 0.55 6.34 0.51 -0.54 -5.09 118.94 122.07 1axq s TRP 78 Ca -0.01 0.74 -0.18 0.00 -2.12 0.00 0.00 56.10 54.53 1axq s TRP 78 Cb 0.02 -2.17 -0.06 0.00 -0.81 0.00 0.00 33.47 30.45 1axq s TRP 78 CO 0.14 0.19 1.07 -1.25 -0.51 0.00 0.00 176.95 176.59 1axq s PRO 79 N -3.31 3.47 0.08 4.98 0.04 -1.26 -4.69 135.00 134.32 1axq s PRO 79 Ca 0.45 1.35 -0.31 0.00 0.04 0.00 0.00 61.00 62.54 1axq s PRO 79 Cb -0.11 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.31 1axq s PRO 79 CO 0.27 -0.71 1.46 1.21 0.04 0.00 0.00 177.00 179.27 1axq s ASN 80 N -2.27 6.77 -0.15 6.66 3.04 -1.26 -0.80 114.94 126.92 1axq s ASN 80 Ca 0.67 2.33 -0.04 0.00 0.04 0.00 0.00 52.86 55.86 1axq s ASN 80 Cb -0.18 -2.58 -0.03 0.00 -1.54 0.00 0.00 41.25 36.93 1axq s ASN 80 CO 0.29 -0.73 -0.04 -0.51 -3.04 0.00 0.00 177.10 173.07 1axq s ILE 81 N 1.74 3.90 0.00 -5.21 2.07 -0.57 -4.81 121.20 118.31 1axq s ILE 81 Ca 0.67 -0.36 0.00 0.00 -1.41 0.00 0.00 60.65 59.55 1axq s ILE 81 Cb -0.37 -2.70 0.00 0.00 0.13 0.00 0.00 42.46 39.52 1axq s ILE 81 CO 0.30 0.50 0.17 0.35 -1.91 0.00 0.00 174.94 174.34 1axq n THR 82 N 3.47 0.00 -4.75 4.00 -2.24 -1.26 -4.43 114.28 109.07 1axq n THR 82 Ca -0.17 -0.44 -0.24 0.00 -2.27 0.00 0.00 64.05 60.93 1axq n THR 82 Cb 0.52 1.04 -0.15 0.00 -2.10 0.00 0.00 70.33 69.65 1axq n THR 82 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1axq s GLU 83 N -0.55 1.32 0.72 -0.78 2.02 -1.26 -4.86 118.70 115.32 1axq s GLU 83 Ca 0.00 -0.64 -0.15 0.00 0.02 0.00 0.00 54.97 54.20 1axq s GLU 83 Cb 0.00 -1.30 0.03 0.00 0.10 0.00 0.00 34.13 32.96 1axq s GLU 83 CO 0.00 0.35 1.18 0.21 0.02 0.00 0.00 175.26 177.03 1axq s LYS 84 N -0.52 2.27 0.27 1.61 2.20 -1.26 -5.01 119.74 119.29 1axq s LYS 84 Ca 0.06 1.67 0.06 0.00 -0.36 0.00 0.00 55.97 57.40 1axq s LYS 84 Cb -0.07 -1.86 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 1axq s LYS 84 CO -0.00 -1.72 0.25 0.36 -0.36 0.00 0.00 175.35 173.88 1axq n LYS 85 N -2.67 0.36 -1.77 4.03 2.85 -1.26 -5.11 118.16 114.58 1axq n LYS 85 Ca 0.13 -2.69 -0.35 0.00 -1.05 0.00 0.00 58.31 54.35 1axq n LYS 85 Cb 0.51 2.25 0.06 0.00 -0.65 0.00 0.00 35.03 37.19 1axq n LYS 85 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1axq s ASP 86 N -2.90 4.83 0.82 -5.58 1.01 -1.26 -4.71 116.67 108.88 1axq s ASP 86 Ca 0.32 2.31 -0.11 0.00 0.71 0.00 0.00 52.55 55.79 1axq s ASP 86 Cb 0.01 -2.59 0.09 0.00 1.01 0.00 0.00 42.92 41.44 1axq s ASP 86 CO 0.23 -1.83 1.10 -2.84 0.21 0.00 0.00 175.17 172.03 1axq s PRO 87 N -3.66 1.82 0.69 8.23 0.02 -1.26 -4.87 135.00 135.97 1axq s PRO 87 Ca 0.75 1.14 -0.16 0.00 0.02 0.00 0.00 61.00 62.74 1axq s PRO 87 Cb -0.28 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.40 1axq s PRO 87 CO 0.39 -1.94 1.22 -0.51 -0.33 0.00 0.00 177.00 175.83 1axq s LEU 88 N -6.10 3.43 0.23 -5.54 1.43 -1.02 -4.87 118.68 106.24 1axq s LEU 88 Ca 0.62 2.40 -0.06 0.00 -1.03 0.00 0.00 54.13 56.06 1axq s LEU 88 Cb -0.18 -4.59 0.34 0.00 0.03 0.00 0.00 46.19 41.78 1axq s LEU 88 CO 0.57 -2.07 1.80 -0.65 0.23 0.00 0.00 176.35 176.22 1axq h PRO 89 N 0.08 0.66 -0.71 1.29 0.11 -1.91 -1.06 132.00 130.46 1axq h PRO 89 Ca -0.49 -0.04 -0.31 0.00 0.11 0.00 0.00 66.00 65.28 1axq h PRO 89 Cb 1.30 -0.15 -0.18 0.00 0.11 0.00 0.00 31.00 32.08 1axq h PRO 89 CO 0.51 0.44 0.31 -0.25 -0.21 0.00 0.00 178.00 178.81 1axq n ASP 90 N -4.81 3.81 -0.31 -2.05 9.92 -1.26 -4.75 116.55 117.10 1axq n ASP 90 Ca 0.11 -3.48 0.03 0.00 -0.53 0.00 0.00 54.79 50.92 1axq n ASP 90 Cb 0.25 -0.74 0.18 0.00 -0.64 0.00 0.00 41.12 40.17 1axq n ASP 90 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1axq h ALA 91 N 1.59 1.26 -0.00 2.24 0.00 -1.37 -1.27 119.26 121.70 1axq h ALA 91 Ca 0.38 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1axq h ALA 91 Cb 2.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1axq h ALA 91 CO 0.76 0.17 -0.21 -0.85 0.00 0.00 0.00 179.25 179.12 1axq n GLU 92 N -4.69 0.41 -0.10 0.00 -0.00 -1.26 -2.23 120.64 112.78 1axq n GLU 92 Ca 0.15 -0.17 -0.07 0.00 -0.00 0.00 0.00 57.16 57.06 1axq n GLU 92 Cb 0.27 -1.50 0.09 0.00 -0.00 0.00 0.00 31.44 30.31 1axq n GLU 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1axq h ASP 93 N 0.41 0.80 0.77 -1.84 3.32 -1.61 -3.16 116.42 115.11 1axq h ASP 93 Ca 0.00 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1axq h ASP 93 Cb 0.44 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1axq h ASP 93 CO 0.00 0.98 -0.31 0.79 -1.72 0.00 0.00 179.24 178.98 1axq n TRP 94 N -4.13 0.10 -2.14 4.55 7.02 -1.10 -4.74 117.44 117.01 1axq n TRP 94 Ca 0.00 0.03 -0.43 0.00 -1.02 0.00 0.00 57.50 56.09 1axq n TRP 94 Cb 0.42 -0.42 -0.02 0.00 -2.42 0.00 0.00 31.31 28.86 1axq n TRP 94 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1axq s ASP 95 N -3.20 6.10 0.00 -0.99 -1.08 -0.94 -2.26 116.67 114.29 1axq s ASP 95 Ca 0.12 1.16 0.00 0.00 -0.52 0.00 0.00 52.55 53.31 1axq s ASP 95 Cb 0.17 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1axq s ASP 95 CO 0.64 -1.57 0.00 0.61 0.52 0.00 0.00 175.17 175.37 1axq n GLY 96 N 5.23 0.28 3.75 2.66 0.00 -1.26 -5.03 105.19 110.82 1axq n GLY 96 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1axq n GLY 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1axq s VAL 97 N -2.00 2.98 0.45 1.61 1.01 -0.96 -5.03 120.40 118.46 1axq s VAL 97 Ca 0.00 0.87 0.04 0.00 0.00 0.00 0.00 61.98 62.89 1axq s VAL 97 Cb 0.00 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.83 1axq s VAL 97 CO 0.00 0.16 0.64 -1.59 0.00 0.00 0.00 175.10 174.32 1axq s LYS 98 N -0.82 2.85 -1.12 2.72 -2.85 -1.26 -4.54 119.74 114.73 1axq s LYS 98 Ca 0.54 -0.86 -0.01 0.00 -1.00 0.00 0.00 55.97 54.63 1axq s LYS 98 Cb -0.38 -2.63 0.00 0.00 -2.06 0.00 0.00 37.83 32.76 1axq s LYS 98 CO 0.44 -0.35 0.17 0.41 0.10 0.00 0.00 175.35 176.12 1axq n GLY 99 N -2.02 -0.16 0.00 0.59 0.00 -1.26 -4.92 105.19 97.42 1axq n GLY 99 Ca 0.05 -0.25 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1axq n GLY 99 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1axq n LYS 100 N -2.57 0.81 0.19 1.61 5.02 -1.26 -3.50 118.16 118.46 1axq n LYS 100 Ca -0.13 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.21 1axq n LYS 100 Cb 0.61 -1.43 0.34 0.00 -0.02 0.00 0.00 35.03 34.53 1axq n LYS 100 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1axq h LEU 101 N 0.00 0.00 -0.56 -0.35 5.85 -1.91 -0.47 115.31 117.87 1axq h LEU 101 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1axq h LEU 101 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1axq h LEU 101 CO 0.00 0.39 0.00 0.00 -0.34 0.00 0.00 178.44 178.49 1axq n GLN 102 N -3.61 0.12 -0.01 1.25 10.64 -1.23 -1.96 117.38 122.59 1axq n GLN 102 Ca -0.01 0.41 0.12 0.00 -1.83 0.00 0.00 57.00 55.70 1axq n GLN 102 Cb 0.50 -1.76 0.19 0.00 -0.86 0.00 0.00 30.24 28.31 1axq n GLN 102 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1axq n HIS 103 N -2.00 0.02 -1.90 2.61 8.25 -0.19 -5.00 115.22 117.01 1axq n HIS 103 Ca 0.02 -0.01 -0.41 0.00 -0.26 0.00 0.00 57.72 57.06 1axq n HIS 103 Cb 0.17 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.27 1axq n HIS 103 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1axq s LEU 104 N -1.98 4.36 -0.06 2.41 2.96 -0.83 -4.95 118.68 120.59 1axq s LEU 104 Ca 0.30 2.90 0.03 0.00 -0.22 0.00 0.00 54.13 57.14 1axq s LEU 104 Cb 0.20 -3.65 -0.02 0.00 0.50 0.00 0.00 46.19 43.22 1axq s LEU 104 CO 0.31 -0.78 -0.16 -1.61 -1.32 0.00 0.00 176.35 172.80 1axq s GLU 105 N -1.52 2.63 0.00 1.98 2.02 -1.26 -5.11 118.70 117.44 1axq s GLU 105 Ca 0.54 -0.72 0.30 0.00 0.02 0.00 0.00 54.97 55.11 1axq s GLU 105 Cb -0.44 -2.38 1.55 0.00 0.10 0.00 0.00 34.13 32.95 1axq s GLU 105 CO 0.55 0.53 2.02 -2.13 0.02 0.00 0.00 175.26 176.26