#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifq s VAL 2 N 0.00 0.55 -0.41 2.46 -7.23 -1.26 -5.03 120.40 109.48 1ifq s VAL 2 Ca 0.00 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.25 1ifq s VAL 2 Cb 0.00 -2.53 0.28 0.00 0.56 0.00 0.00 36.38 34.69 1ifq s VAL 2 CO 0.00 0.00 0.69 0.18 -0.31 0.00 0.00 175.10 175.66 1ifq n LEU 3 N -0.66 -0.48 -4.60 1.32 4.77 -1.26 -4.53 117.00 111.56 1ifq n LEU 3 Ca -0.01 -4.42 -0.43 0.00 -0.03 0.00 0.00 56.01 51.12 1ifq n LEU 3 Cb 0.65 0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 42.44 1ifq n LEU 3 CO 0.36 2.11 1.67 -0.76 -1.33 0.00 0.00 177.39 179.45 1ifq s LEU 4 N -1.47 3.50 0.49 2.23 1.43 -0.78 -4.80 118.68 119.28 1ifq s LEU 4 Ca 0.34 1.61 0.05 0.00 -1.03 0.00 0.00 54.13 55.10 1ifq s LEU 4 Cb 0.23 -3.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 1ifq s LEU 4 CO -0.12 -1.80 0.24 -0.89 0.23 0.00 0.00 176.35 174.01 1ifq s THR 5 N 7.43 1.82 -0.30 5.49 2.01 -1.09 -0.31 115.64 130.70 1ifq s THR 5 Ca 0.89 -1.66 -0.15 0.00 0.31 0.00 0.00 61.69 61.08 1ifq s THR 5 Cb -0.28 -2.48 0.16 0.00 0.01 0.00 0.00 72.50 69.92 1ifq s THR 5 CO 0.34 0.00 1.00 -0.63 -0.69 0.00 0.00 174.62 174.64 1ifq s ILE 7 N -2.72 -0.33 0.04 1.82 1.01 -0.25 -1.13 121.20 119.63 1ifq s ILE 7 Ca 0.31 0.00 0.01 0.00 0.00 0.00 0.00 60.65 60.97 1ifq s ILE 7 Cb 0.01 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 1ifq s ILE 7 CO 0.18 0.00 -0.05 0.00 0.00 0.00 0.00 174.94 175.07 1ifq s ALA 8 N 2.08 0.47 -0.05 9.38 0.00 -0.92 0.65 121.76 133.38 1ifq s ALA 8 Ca -0.04 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.77 1ifq s ALA 8 Cb -0.05 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 1ifq s ALA 8 CO -0.16 -0.14 1.08 0.50 0.00 0.00 0.00 175.76 177.03 1ifq s ARG 9 N -2.17 4.43 0.09 0.00 3.52 0.24 -0.81 118.95 124.26 1ifq s ARG 9 Ca -0.07 1.53 -0.25 0.00 -0.13 0.00 0.00 55.73 56.81 1ifq s ARG 9 Cb -0.05 -3.51 -0.13 0.00 -1.56 0.00 0.00 34.95 29.70 1ifq s ARG 9 CO -0.02 -0.29 1.70 0.28 -0.81 0.00 0.00 175.30 176.15 1ifq h VAL 10 N 4.94 0.75 -0.88 7.11 2.07 -1.32 0.91 116.25 129.83 1ifq h VAL 10 Ca -0.35 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.35 1ifq h VAL 10 Cb 1.17 0.75 -0.17 0.00 -1.52 0.00 0.00 31.29 31.53 1ifq h VAL 10 CO 0.84 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 178.24 1ifq n ALA 11 N -2.29 0.24 -1.13 1.67 0.00 -1.26 -2.99 120.51 114.75 1ifq n ALA 11 Ca -0.08 0.96 0.01 0.00 0.00 0.00 0.00 53.44 54.33 1ifq n ALA 11 Cb 0.15 -0.59 0.01 0.00 0.00 0.00 0.00 19.45 19.02 1ifq n ALA 11 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ifq n ASP 12 N -5.41 0.47 -0.80 0.00 3.85 -1.21 -5.02 116.55 108.43 1ifq n ASP 12 Ca 0.15 -1.57 -0.10 0.00 -0.71 0.00 0.00 54.79 52.55 1ifq n ASP 12 Cb 0.47 -0.09 -0.04 0.00 -1.35 0.00 0.00 41.12 40.11 1ifq n ASP 12 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1ifq n GLY 13 N -0.18 1.11 3.70 6.12 0.00 0.32 -4.94 105.19 111.32 1ifq n GLY 13 Ca 0.01 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1ifq n GLY 13 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ifq s LEU 14 N -2.39 4.37 0.63 0.99 2.96 -1.19 -4.61 118.68 119.45 1ifq s LEU 14 Ca 0.00 2.64 -0.18 0.00 -0.22 0.00 0.00 54.13 56.38 1ifq s LEU 14 Cb 0.00 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 1ifq s LEU 14 CO 0.00 -0.90 1.20 -2.84 -1.32 0.00 0.00 176.35 172.49 1ifq s PRO 15 N 1.92 2.79 0.05 0.98 0.02 -1.26 -0.59 135.00 138.91 1ifq s PRO 15 Ca 0.74 1.77 -0.01 0.00 0.02 0.00 0.00 61.00 63.52 1ifq s PRO 15 Cb -0.44 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.16 1ifq s PRO 15 CO 0.33 -1.33 -0.03 1.28 -0.33 0.00 0.00 177.00 176.92 1ifq n LEU 16 N -1.89 0.91 -3.89 -5.54 4.77 0.21 -1.71 117.00 109.86 1ifq n LEU 16 Ca 0.13 0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 56.14 1ifq n LEU 16 Cb 0.50 -0.29 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1ifq n LEU 16 CO 0.45 -0.51 -0.07 0.00 -1.33 0.00 0.00 177.39 175.93 1ifq s ALA 17 N -2.07 -0.16 -0.04 -1.18 0.00 -1.11 -2.48 121.76 114.72 1ifq s ALA 17 Ca -0.03 -0.70 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 1ifq s ALA 17 Cb 0.01 0.60 0.11 0.00 0.00 0.00 0.00 23.12 23.83 1ifq s ALA 17 CO 0.04 -0.55 0.93 0.00 0.00 0.00 0.00 175.76 176.18 1ifq s ALA 18 N -3.89 -1.86 -0.20 0.00 0.00 -1.26 -1.09 121.76 113.45 1ifq s ALA 18 Ca 0.08 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 1ifq s ALA 18 Cb 0.04 0.30 0.10 0.00 0.00 0.00 0.00 23.12 23.56 1ifq s ALA 18 CO -0.08 -0.66 0.41 0.45 0.00 0.00 0.00 175.76 175.88 1ifq s SER 19 N -2.38 -0.15 0.00 0.00 0.15 -0.29 -4.78 113.70 106.26 1ifq s SER 19 Ca 0.05 0.84 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1ifq s SER 19 Cb -0.01 1.28 0.00 0.00 -1.71 0.00 0.00 66.02 65.58 1ifq s SER 19 CO -0.08 -0.24 0.00 0.00 1.20 0.00 0.00 173.24 174.12 1ifq n GLN 21 N 5.38 0.00 -4.02 5.44 6.02 -1.26 -2.65 117.38 126.29 1ifq n GLN 21 Ca -0.07 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.73 1ifq n GLN 21 Cb 0.50 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.69 1ifq n GLN 21 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1ifq n GLU 22 N 0.00 0.41 -1.52 -1.09 -0.58 -1.26 -5.03 120.64 111.57 1ifq n GLU 22 Ca 0.00 -2.99 -0.35 0.00 -0.42 0.00 0.00 57.16 53.40 1ifq n GLU 22 Cb 0.00 2.29 -0.11 0.00 -0.57 0.00 0.00 31.44 33.05 1ifq n GLU 22 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1ifq n ASP 23 N -1.78 0.89 -3.08 1.62 5.75 -1.26 -2.87 116.55 115.81 1ifq n ASP 23 Ca 0.05 -0.25 -0.18 0.00 -0.01 0.00 0.00 54.79 54.40 1ifq n ASP 23 Cb 0.54 -1.15 0.02 0.00 -1.03 0.00 0.00 41.12 39.49 1ifq n ASP 23 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1ifq n GLU 24 N 8.38 -2.22 -2.56 0.11 4.07 -1.26 -5.01 120.64 122.15 1ifq n GLU 24 Ca 0.55 1.88 -0.22 0.00 -0.06 0.00 0.00 57.16 59.31 1ifq n GLU 24 Cb 0.24 -4.21 0.04 0.00 -0.06 0.00 0.00 31.44 27.46 1ifq n GLU 24 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 1ifq s GLN 25 N -2.41 2.50 -0.24 5.31 1.03 -1.14 -5.07 119.66 119.64 1ifq s GLN 25 Ca 0.27 -0.63 -0.07 0.00 0.04 0.00 0.00 55.36 54.96 1ifq s GLN 25 Cb -0.05 -2.42 -0.03 0.00 0.03 0.00 0.00 33.01 30.54 1ifq s GLN 25 CO 0.77 -0.81 0.07 -1.54 -2.54 0.00 0.00 175.29 171.25 1ifq s SER 26 N -4.43 5.23 0.33 12.60 1.04 -1.26 -4.98 113.70 122.22 1ifq s SER 26 Ca 0.57 -0.16 0.11 0.00 0.48 0.00 0.00 55.95 56.96 1ifq s SER 26 Cb -0.10 -1.93 1.01 0.00 0.10 0.00 0.00 66.02 65.10 1ifq s SER 26 CO 0.40 -0.00 1.64 1.23 0.98 0.00 0.00 173.24 177.48 1ifq h GLY 27 N 8.01 1.86 0.83 7.32 0.00 -1.98 0.10 103.07 119.20 1ifq h GLY 27 Ca -0.38 -0.14 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 1ifq h GLY 27 CO 0.59 -0.52 -0.32 0.07 0.00 0.00 0.00 176.54 176.36 1ifq h ARG 28 N 0.21 -0.74 0.50 4.80 -0.00 -2.00 -1.73 114.38 115.42 1ifq h ARG 28 Ca 0.70 0.05 -0.02 0.00 -0.00 0.00 0.00 59.98 60.70 1ifq h ARG 28 Cb 1.60 0.17 0.00 0.00 -0.00 0.00 0.00 29.97 31.75 1ifq h ARG 28 CO -0.68 -0.50 -0.24 -0.44 -0.00 0.00 0.00 179.97 178.12 1ifq h ASP 29 N -0.77 -0.57 -1.04 0.08 3.32 -1.42 -2.23 116.42 113.79 1ifq h ASP 29 Ca -0.05 -0.02 0.27 0.00 0.02 0.00 0.00 57.03 57.24 1ifq h ASP 29 Cb 0.64 0.15 -0.11 0.00 0.22 0.00 0.00 39.33 40.23 1ifq h ASP 29 CO 0.04 -0.33 0.65 0.25 -1.72 0.00 0.00 179.24 178.12 1ifq h LEU 30 N -0.77 0.52 -0.13 1.55 5.85 -0.90 0.46 115.31 121.89 1ifq h LEU 30 Ca -0.07 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1ifq h LEU 30 Cb 0.56 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1ifq h LEU 30 CO 0.11 0.07 -0.19 1.56 -0.34 0.00 0.00 178.44 179.65 1ifq h GLN 31 N 0.45 0.36 -0.16 1.25 1.08 -1.19 -2.31 115.11 114.58 1ifq h GLN 31 Ca 0.63 -0.21 -0.07 0.00 -1.45 0.00 0.00 58.65 57.55 1ifq h GLN 31 Cb 1.46 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.90 1ifq h GLN 31 CO -0.38 0.79 -0.21 0.37 -0.95 0.00 0.00 178.83 178.45 1ifq h GLN 32 N -0.05 0.27 -0.27 1.46 5.75 -0.23 -1.39 115.11 120.65 1ifq h GLN 32 Ca 0.01 -0.08 -0.10 0.00 -0.15 0.00 0.00 58.65 58.33 1ifq h GLN 32 Cb 0.76 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.27 1ifq h GLN 32 CO 0.04 0.48 -0.23 1.88 -2.65 0.00 0.00 178.83 178.35 1ifq h TYR 33 N 0.25 0.76 -0.33 3.99 0.99 -0.20 -1.88 116.97 120.56 1ifq h TYR 33 Ca 0.04 -0.22 -0.13 0.00 2.00 0.00 0.00 58.73 60.43 1ifq h TYR 33 Cb 0.52 -0.16 -0.01 0.00 1.00 0.00 0.00 36.73 38.07 1ifq h TYR 33 CO 0.01 0.93 -0.32 1.96 -0.00 0.00 0.00 178.16 180.73 1ifq h GLN 34 N 0.37 0.71 -0.48 4.88 4.20 -1.17 -2.03 115.11 121.59 1ifq h GLN 34 Ca 0.05 -0.33 -0.13 0.00 0.06 0.00 0.00 58.65 58.30 1ifq h GLN 34 Cb 0.78 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1ifq h GLN 34 CO 0.06 0.94 -0.22 0.66 -0.67 0.00 0.00 178.83 179.60 1ifq h SER 35 N 0.60 1.02 -0.25 1.46 4.64 -1.25 -1.88 113.55 117.90 1ifq h SER 35 Ca 0.07 -0.39 -0.05 0.00 -0.47 0.00 0.00 61.79 60.94 1ifq h SER 35 Cb 0.84 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 1ifq h SER 35 CO 0.07 1.19 -0.00 1.56 -0.87 0.00 0.00 176.83 178.78 1ifq h GLN 36 N 0.86 0.56 -0.21 4.77 4.20 -1.25 -2.43 115.11 121.60 1ifq h GLN 36 Ca 0.11 -0.13 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1ifq h GLN 36 Cb 0.80 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 1ifq h GLN 36 CO 0.07 0.59 0.10 0.00 -0.67 0.00 0.00 178.83 178.92 1ifq h ALA 37 N 1.46 0.27 -0.36 3.87 0.00 -0.75 -2.58 119.26 121.17 1ifq h ALA 37 Ca 0.11 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1ifq h ALA 37 Cb 0.35 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1ifq h ALA 37 CO 0.01 -0.17 0.12 0.87 0.00 0.00 0.00 179.25 180.09 1ifq h LYS 38 N 0.21 0.26 0.00 0.00 1.79 -1.02 -0.28 116.57 117.52 1ifq h LYS 38 Ca 0.07 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1ifq h LYS 38 Cb 0.12 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1ifq h LYS 38 CO -0.01 0.17 0.00 1.96 -1.08 0.00 0.00 179.45 180.49 1ifq h GLN 39 N 0.27 0.00 0.08 3.15 7.50 -1.33 -0.19 115.11 124.59 1ifq h GLN 39 Ca 0.17 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 59.09 1ifq h GLN 39 Cb 0.15 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.67 1ifq h GLN 39 CO -0.18 0.00 -1.18 1.25 -1.50 0.00 0.00 178.83 177.23 1ifq h LEU 40 N 0.00 0.26 0.14 1.46 5.85 -0.71 -3.31 115.31 119.00 1ifq h LEU 40 Ca 0.00 -0.81 -0.01 0.00 0.84 0.00 0.00 57.88 57.90 1ifq h LEU 40 Cb 0.14 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.09 1ifq h LEU 40 CO 0.00 1.51 -0.07 -0.26 -0.34 0.00 0.00 178.44 179.28 1ifq h PHE 41 N -0.53 -0.18 -0.51 1.25 0.05 -0.28 -2.74 116.94 114.00 1ifq h PHE 41 Ca -0.27 -0.00 0.15 0.00 3.82 0.00 0.00 57.97 61.67 1ifq h PHE 41 Cb 1.57 0.06 -0.02 0.00 2.00 0.00 0.00 35.95 39.56 1ifq h PHE 41 CO 0.14 -0.02 0.37 0.00 -0.18 0.00 0.00 178.31 178.62 1ifq h ARG 42 N -0.29 0.00 0.00 1.51 3.08 -1.25 -1.30 114.38 116.12 1ifq h ARG 42 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1ifq h ARG 42 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1ifq h ARG 42 CO 0.03 0.00 -0.51 -0.22 -1.07 0.00 0.00 179.97 178.20 1ifq h LYS 43 N 0.00 0.00 -6.88 0.04 1.63 -1.58 -3.47 116.57 106.30 1ifq h LYS 43 Ca 0.24 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 59.51 1ifq h LYS 43 Cb 0.99 0.00 0.09 0.00 -0.60 0.00 0.00 32.23 32.71 1ifq h LYS 43 CO -0.00 0.00 0.81 -0.51 -3.45 0.00 0.00 179.45 176.30 1ifq s LEU 44 N -5.49 4.34 0.00 5.20 1.43 -0.49 -5.00 118.68 118.67 1ifq s LEU 44 Ca 0.04 2.98 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 1ifq s LEU 44 Cb 0.08 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1ifq s LEU 44 CO 0.72 -0.86 0.00 -0.46 0.23 0.00 0.00 176.35 175.98 1ifq n ASN 45 N 1.16 0.00 0.19 2.29 0.23 -1.26 -4.93 115.26 112.94 1ifq n ASN 45 Ca 0.04 -0.93 0.04 0.00 -0.53 0.00 0.00 54.58 53.20 1ifq n ASN 45 Cb 0.39 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.47 1ifq n ASN 45 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1ifq h GLU 46 N 0.00 0.00 0.00 -3.83 9.09 -2.02 -2.62 114.58 115.20 1ifq h GLU 46 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ifq h GLU 46 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1ifq h GLU 46 CO 0.00 0.37 0.00 1.04 0.05 0.00 0.00 179.01 180.47 1ifq n GLN 47 N -3.89 0.22 -1.95 1.06 6.02 -1.26 -4.87 117.38 112.72 1ifq n GLN 47 Ca -0.01 0.05 -0.33 0.00 -0.01 0.00 0.00 57.00 56.69 1ifq n GLN 47 Cb 0.43 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.22 1ifq n GLN 47 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1ifq s SER 48 N -2.74 5.45 0.36 1.08 0.01 -0.99 -5.00 113.70 111.87 1ifq s SER 48 Ca 0.20 1.97 -0.26 0.00 1.31 0.00 0.00 55.95 59.16 1ifq s SER 48 Cb 0.17 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.76 1ifq s SER 48 CO 0.42 -1.40 1.13 -2.84 0.41 0.00 0.00 173.24 170.97 1ifq s PRO 49 N -3.93 4.26 0.34 12.44 0.02 -1.26 -4.91 135.00 141.96 1ifq s PRO 49 Ca 0.67 1.77 0.25 0.00 0.02 0.00 0.00 61.00 63.70 1ifq s PRO 49 Cb -0.20 -2.81 0.61 0.00 0.02 0.00 0.00 34.50 32.12 1ifq s PRO 49 CO 0.37 -0.12 1.70 1.79 -0.33 0.00 0.00 177.00 180.41 1ifq h THR 50 N 2.55 0.00 -3.99 0.99 1.35 -1.94 -3.43 112.91 108.44 1ifq h THR 50 Ca -0.48 -0.73 -0.36 0.00 -0.55 0.00 0.00 66.41 64.28 1ifq h THR 50 Cb 1.22 1.72 -0.27 0.00 -1.73 0.00 0.00 68.15 69.10 1ifq h THR 50 CO 0.64 0.00 -0.77 -0.60 -0.25 0.00 0.00 175.52 174.54 1ifq s ARG 51 N -3.19 0.65 -0.18 4.72 3.52 -1.26 0.11 118.95 123.32 1ifq s ARG 51 Ca 0.08 -0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 54.98 1ifq s ARG 51 Cb 0.08 -0.60 0.11 0.00 -1.56 0.00 0.00 34.95 32.99 1ifq s ARG 51 CO 0.62 0.16 0.94 0.00 -0.81 0.00 0.00 175.30 176.21 1ifq s THR 53 N -0.70 1.61 -0.20 0.00 2.01 -1.26 -1.33 115.64 115.77 1ifq s THR 53 Ca -0.02 -0.72 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1ifq s THR 53 Cb -0.02 -1.45 0.04 0.00 0.01 0.00 0.00 72.50 71.08 1ifq s THR 53 CO 0.01 0.46 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.53 1ifq s LEU 54 N 0.86 2.41 0.21 4.42 1.43 0.25 -4.97 118.68 123.28 1ifq s LEU 54 Ca -0.09 -0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 51.79 1ifq s LEU 54 Cb -0.15 -1.31 -0.08 0.00 0.03 0.00 0.00 46.19 44.67 1ifq s LEU 54 CO 0.00 -0.13 1.21 -1.61 0.23 0.00 0.00 176.35 176.04 1ifq s GLU 55 N 1.34 4.49 -0.36 1.70 2.02 -1.26 -0.40 118.70 126.23 1ifq s GLU 55 Ca -0.01 1.91 0.14 0.00 0.02 0.00 0.00 54.97 57.03 1ifq s GLU 55 Cb -0.16 -3.21 0.42 0.00 0.10 0.00 0.00 34.13 31.27 1ifq s GLU 55 CO -0.08 -0.07 1.09 0.00 0.02 0.00 0.00 175.26 176.22 1ifq n ALA 56 N 2.21 2.31 -0.16 5.21 0.00 -1.26 -4.94 120.51 123.88 1ifq n ALA 56 Ca 0.03 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 51.09 1ifq n ALA 56 Cb 0.44 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.92 1ifq n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ifq n GLY 57 N -0.22 2.38 0.62 0.00 0.00 -1.26 -4.72 105.19 102.00 1ifq n GLY 57 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1ifq n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ifq n ALA 58 N 9.71 1.66 0.00 4.61 0.00 -1.26 -4.61 120.51 130.62 1ifq n ALA 58 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ifq n ALA 58 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1ifq n ALA 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ifq n THR 60 N 0.43 0.00 -3.53 0.00 -1.04 0.85 0.12 114.28 111.11 1ifq n THR 60 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.66 1ifq n THR 60 Cb 0.12 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.58 1ifq n THR 60 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1ifq s PHE 61 N -0.17 3.61 -0.01 -1.42 0.40 0.46 -1.96 117.98 118.89 1ifq s PHE 61 Ca 0.00 0.86 -0.01 0.00 -0.60 0.00 0.00 56.93 57.19 1ifq s PHE 61 Cb 0.00 -2.21 0.00 0.00 0.51 0.00 0.00 43.02 41.32 1ifq s PHE 61 CO 0.00 0.53 0.02 -1.01 0.70 0.00 0.00 175.22 175.46 1ifq s HIS 62 N -1.34 -0.02 0.18 0.36 3.76 -0.59 0.84 115.29 118.48 1ifq s HIS 62 Ca 0.32 0.05 -0.17 0.00 -0.15 0.00 0.00 55.06 55.11 1ifq s HIS 62 Cb -0.15 -0.01 0.03 0.00 1.11 0.00 0.00 32.58 33.56 1ifq s HIS 62 CO 0.17 -0.02 0.49 1.52 -0.85 0.00 0.00 174.74 176.05 1ifq s TYR 63 N 0.09 -0.08 0.06 1.40 -0.85 -0.44 -0.75 117.35 116.78 1ifq s TYR 63 Ca -0.01 -0.26 0.02 0.00 -0.52 0.00 0.00 57.07 56.30 1ifq s TYR 63 Cb -0.01 0.33 -0.03 0.00 0.38 0.00 0.00 41.96 42.63 1ifq s TYR 63 CO -0.00 -0.87 -0.08 0.96 -1.52 0.00 0.00 175.55 174.04 1ifq s ILE 64 N -3.87 0.59 -0.16 -3.49 -4.36 -0.64 -1.50 121.20 107.78 1ifq s ILE 64 Ca 0.09 -1.32 0.00 0.00 -0.26 0.00 0.00 60.65 59.16 1ifq s ILE 64 Cb -0.00 -0.92 0.02 0.00 1.25 0.00 0.00 42.46 42.81 1ifq s ILE 64 CO -0.04 -0.52 -0.15 -0.63 0.24 0.00 0.00 174.94 173.84 1ifq s ILE 65 N -2.01 1.69 -0.05 8.37 1.01 0.29 -1.22 121.20 129.27 1ifq s ILE 65 Ca -0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 1ifq s ILE 65 Cb -0.06 -1.57 0.03 0.00 0.01 0.00 0.00 42.46 40.87 1ifq s ILE 65 CO -0.01 0.47 0.12 -1.61 0.00 0.00 0.00 174.94 173.91 1ifq s GLU 66 N 1.44 0.09 -1.41 2.79 0.41 -0.96 -4.76 118.70 116.30 1ifq s GLU 66 Ca 0.05 0.27 -0.11 0.00 -0.41 0.00 0.00 54.97 54.77 1ifq s GLU 66 Cb -0.13 -0.10 0.08 0.00 -1.78 0.00 0.00 34.13 32.21 1ifq s GLU 66 CO -0.11 -0.11 0.63 1.04 -0.49 0.00 0.00 175.26 176.22 1ifq n GLN 67 N 3.76 -3.89 -1.15 1.61 3.00 -1.26 -1.65 117.38 117.80 1ifq n GLN 67 Ca -0.21 0.52 -0.05 0.00 -0.01 0.00 0.00 57.00 57.24 1ifq n GLN 67 Cb 0.54 -5.28 -0.02 0.00 0.00 0.00 0.00 30.24 25.48 1ifq n GLN 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1ifq n GLY 68 N -1.33 0.77 3.17 1.08 0.00 -1.26 -5.01 105.19 102.61 1ifq n GLY 68 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 1ifq n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ifq s VAL 69 N -2.08 1.74 -0.27 1.61 1.01 -0.66 -0.82 120.40 120.93 1ifq s VAL 69 Ca 0.00 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.01 1ifq s VAL 69 Cb 0.00 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1ifq s VAL 69 CO 0.00 0.49 0.18 0.00 0.00 0.00 0.00 175.10 175.77 1ifq s TYR 71 N 1.70 3.21 0.00 0.00 1.51 -0.36 -2.17 117.35 121.25 1ifq s TYR 71 Ca 0.07 -0.41 0.08 0.00 -1.01 0.00 0.00 57.07 55.80 1ifq s TYR 71 Cb -0.16 -2.43 -0.02 0.00 -0.11 0.00 0.00 41.96 39.24 1ifq s TYR 71 CO 0.10 -0.42 -0.25 -1.17 -1.11 0.00 0.00 175.55 172.69 1ifq s LEU 72 N 1.67 2.09 -0.02 -1.29 2.96 -1.26 -1.62 118.68 121.21 1ifq s LEU 72 Ca 0.05 -0.50 -0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1ifq s LEU 72 Cb -0.17 -1.28 0.02 0.00 0.50 0.00 0.00 46.19 45.25 1ifq s LEU 72 CO 0.09 0.29 0.04 0.54 -1.32 0.00 0.00 176.35 175.98 1ifq s VAL 73 N -0.66 -0.03 -0.10 1.68 0.11 0.07 -4.34 120.40 117.12 1ifq s VAL 73 Ca 0.10 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1ifq s VAL 73 Cb -0.10 -0.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.65 1ifq s VAL 73 CO -0.00 0.04 -0.12 -0.22 -3.33 0.00 0.00 175.10 171.48 1ifq s LEU 74 N 0.53 2.84 0.32 2.54 2.96 0.58 -1.55 118.68 126.89 1ifq s LEU 74 Ca -0.04 -0.23 -0.10 0.00 -0.22 0.00 0.00 54.13 53.54 1ifq s LEU 74 Cb -0.06 -1.62 0.01 0.00 0.50 0.00 0.00 46.19 45.02 1ifq s LEU 74 CO -0.02 0.24 0.56 0.00 -1.32 0.00 0.00 176.35 175.81 1ifq n GLU 76 N -0.49 2.09 -0.33 0.00 1.02 -1.26 -0.10 120.64 121.57 1ifq n GLU 76 Ca -0.02 0.74 0.14 0.00 -0.02 0.00 0.00 57.16 58.00 1ifq n GLU 76 Cb 0.61 -2.40 0.37 0.00 -0.02 0.00 0.00 31.44 30.00 1ifq n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ifq h ALA 77 N 2.35 1.81 0.00 0.62 0.00 0.66 -0.93 119.26 123.77 1ifq h ALA 77 Ca -0.48 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1ifq h ALA 77 Cb 1.28 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ifq h ALA 77 CO 0.61 -0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.67 1ifq h ALA 78 N 1.63 1.37 -2.69 0.00 0.00 -1.89 -3.45 119.26 114.23 1ifq h ALA 78 Ca 0.55 -0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.90 1ifq h ALA 78 Cb 0.97 -0.01 0.06 0.00 0.00 0.00 0.00 17.79 18.81 1ifq h ALA 78 CO -0.32 0.05 0.96 0.12 0.00 0.00 0.00 179.25 180.05 1ifq s PHE 79 N -4.41 2.89 -0.24 0.00 5.36 -0.35 -4.87 117.98 116.36 1ifq s PHE 79 Ca -0.04 0.50 -0.34 0.00 -0.96 0.00 0.00 56.93 56.09 1ifq s PHE 79 Cb 0.14 -4.09 -0.10 0.00 -0.34 0.00 0.00 43.02 38.62 1ifq s PHE 79 CO 0.54 -4.00 2.07 -2.30 -1.46 0.00 0.00 175.22 170.07 1ifq n PRO 80 N 3.51 1.60 -0.20 10.12 -0.02 -1.26 -4.86 135.00 143.90 1ifq n PRO 80 Ca 0.14 0.51 -0.06 0.00 -2.02 0.00 0.00 63.50 62.06 1ifq n PRO 80 Cb 0.36 -2.65 -0.00 0.00 -0.02 0.00 0.00 33.50 31.19 1ifq n PRO 80 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1ifq h LYS 81 N 11.59 -0.17 -0.97 -0.52 3.64 -1.91 0.10 116.57 128.33 1ifq h LYS 81 Ca -0.38 0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.24 1ifq h LYS 81 Cb 1.29 0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 33.07 1ifq h LYS 81 CO 0.98 -0.12 0.63 0.87 -2.27 0.00 0.00 179.45 179.54 1ifq h LYS 82 N -0.18 0.45 0.12 1.90 1.57 -2.01 -1.56 116.57 116.86 1ifq h LYS 82 Ca 0.22 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1ifq h LYS 82 Cb 0.55 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1ifq h LYS 82 CO -0.67 0.30 -0.06 -0.07 -0.57 0.00 0.00 179.45 178.39 1ifq h LEU 83 N 0.47 -0.14 -0.99 2.94 3.38 -1.18 -3.11 115.31 116.68 1ifq h LEU 83 Ca 0.53 -0.28 0.28 0.00 0.09 0.00 0.00 57.88 58.50 1ifq h LEU 83 Cb 1.24 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.89 1ifq h LEU 83 CO -0.25 0.21 0.55 0.00 0.09 0.00 0.00 178.44 179.04 1ifq h ALA 84 N 0.32 1.81 0.00 1.53 0.00 -0.80 0.81 119.26 122.93 1ifq h ALA 84 Ca -0.02 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 1ifq h ALA 84 Cb 0.40 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1ifq h ALA 84 CO 0.03 -0.42 -0.50 0.74 0.00 0.00 0.00 179.25 179.10 1ifq h PHE 85 N 0.44 0.00 -0.15 0.00 -1.00 -1.49 -1.09 116.94 113.63 1ifq h PHE 85 Ca 0.67 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 61.27 1ifq h PHE 85 Cb 1.40 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.97 1ifq h PHE 85 CO -0.03 0.50 -0.61 0.00 -1.61 0.00 0.00 178.31 176.56 1ifq h ALA 86 N 1.50 0.28 -0.02 2.45 0.00 -0.84 0.24 119.26 122.88 1ifq h ALA 86 Ca -0.00 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.39 1ifq h ALA 86 Cb 1.11 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1ifq h ALA 86 CO 0.06 0.54 -0.14 -0.92 0.00 0.00 0.00 179.25 178.79 1ifq h TYR 87 N 0.37 -0.36 -0.54 0.00 3.20 -1.00 0.20 116.97 118.84 1ifq h TYR 87 Ca -0.03 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1ifq h TYR 87 Cb 1.24 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.64 1ifq h TYR 87 CO 0.10 -0.21 0.35 -0.07 -1.64 0.00 0.00 178.16 176.69 1ifq h LEU 88 N -0.23 0.60 -0.79 2.82 3.38 -1.09 -2.06 115.31 117.95 1ifq h LEU 88 Ca 0.05 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1ifq h LEU 88 Cb 0.30 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 1ifq h LEU 88 CO -0.15 0.44 0.50 -0.33 0.09 0.00 0.00 178.44 178.99 1ifq h GLU 89 N 0.72 0.94 -0.70 1.13 4.39 0.22 0.75 114.58 122.02 1ifq h GLU 89 Ca 0.20 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1ifq h GLU 89 Cb -0.06 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.34 1ifq h GLU 89 CO -0.05 0.62 0.29 -0.44 -1.16 0.00 0.00 179.01 178.27 1ifq h ASP 90 N 0.97 0.96 -0.41 1.42 5.19 -0.26 -2.32 116.42 121.97 1ifq h ASP 90 Ca 0.32 -0.16 -0.02 0.00 -0.62 0.00 0.00 57.03 56.54 1ifq h ASP 90 Cb 0.03 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.28 1ifq h ASP 90 CO -0.12 0.86 0.17 -0.07 -3.12 0.00 0.00 179.24 176.96 1ifq h LEU 91 N 1.00 0.56 0.12 1.55 3.38 -0.57 -2.86 115.31 118.49 1ifq h LEU 91 Ca 0.24 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ifq h LEU 91 Cb 0.19 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ifq h LEU 91 CO -0.02 0.57 -0.11 -0.74 0.09 0.00 0.00 178.44 178.23 1ifq h HIS 92 N 0.52 -0.30 -1.08 1.13 2.76 -0.66 0.13 115.15 117.66 1ifq h HIS 92 Ca 0.14 0.00 0.29 0.00 -2.20 0.00 0.00 60.37 58.60 1ifq h HIS 92 Cb 0.18 0.11 -0.09 0.00 1.55 0.00 0.00 27.41 29.17 1ifq h HIS 92 CO -0.00 -0.15 0.71 0.66 -1.30 0.00 0.00 177.93 177.85 1ifq h SER 93 N -0.22 0.35 0.08 3.26 4.64 -1.49 0.22 113.55 120.38 1ifq h SER 93 Ca -0.01 0.07 -0.27 0.00 -0.47 0.00 0.00 61.79 61.11 1ifq h SER 93 Cb 0.19 0.02 0.03 0.00 -0.31 0.00 0.00 62.40 62.32 1ifq h SER 93 CO -0.01 0.05 -1.11 -0.08 -0.87 0.00 0.00 176.83 174.81 1ifq h GLU 94 N 0.30 0.61 0.13 4.77 4.57 -1.36 -2.78 114.58 120.81 1ifq h GLU 94 Ca 0.60 -0.76 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1ifq h GLU 94 Cb 1.70 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 30.54 1ifq h GLU 94 CO -0.25 1.34 -0.06 0.35 -1.18 0.00 0.00 179.01 179.20 1ifq h PHE 95 N 0.23 -0.16 -0.53 0.92 3.57 0.18 -1.31 116.94 119.84 1ifq h PHE 95 Ca -0.16 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1ifq h PHE 95 Cb 1.79 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 40.56 1ifq h PHE 95 CO 0.12 0.12 0.30 0.22 -2.23 0.00 0.00 178.31 176.85 1ifq h ASP 96 N -0.44 0.65 -0.51 0.41 3.58 -0.84 0.93 116.42 120.20 1ifq h ASP 96 Ca -0.02 -0.08 0.04 0.00 0.42 0.00 0.00 57.03 57.40 1ifq h ASP 96 Cb 0.36 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.20 1ifq h ASP 96 CO 0.03 0.54 0.26 -0.08 -2.88 0.00 0.00 179.24 177.11 1ifq h GLU 97 N 0.71 0.50 0.00 0.28 4.81 -1.50 0.73 114.58 120.11 1ifq h GLU 97 Ca 0.19 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1ifq h GLU 97 Cb 0.02 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 1ifq h GLU 97 CO -0.03 0.33 -0.63 1.96 -0.73 0.00 0.00 179.01 179.90 1ifq h GLN 98 N 0.51 0.00 0.00 1.92 1.08 -0.76 -3.42 115.11 114.44 1ifq h GLN 98 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1ifq h GLN 98 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1ifq h GLN 98 CO -0.15 0.01 0.00 0.72 -0.95 0.00 0.00 178.83 178.46 1ifq n HIS 99 N -2.85 0.00 -0.24 2.96 8.25 0.32 -4.93 115.22 118.73 1ifq n HIS 99 Ca 0.01 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.52 1ifq n HIS 99 Cb 0.55 0.01 0.17 0.00 1.12 0.00 0.00 29.99 31.84 1ifq n HIS 99 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ifq h GLY 100 N 0.00 0.96 1.56 -1.41 0.00 -0.88 0.40 103.07 103.70 1ifq h GLY 100 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 1ifq h GLY 100 CO 0.00 -0.20 0.02 0.07 0.00 0.00 0.00 176.54 176.43 1ifq h LYS 101 N 0.25 0.55 0.00 4.80 2.10 -1.92 -3.04 116.57 119.31 1ifq h LYS 101 Ca 0.40 -0.12 -0.14 0.00 -2.00 0.00 0.00 60.65 58.79 1ifq h LYS 101 Cb 0.67 -0.08 -0.02 0.00 -0.90 0.00 0.00 32.23 31.90 1ifq h LYS 101 CO -0.51 0.57 -1.25 -0.22 -2.00 0.00 0.00 179.45 176.04 1ifq h LYS 102 N 0.53 0.00 -0.76 0.07 3.64 -1.71 -3.39 116.57 114.96 1ifq h LYS 102 Ca 0.12 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.65 1ifq h LYS 102 Cb 0.32 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.04 1ifq h LYS 102 CO 0.01 0.29 0.28 0.28 -2.27 0.00 0.00 179.45 178.04 1ifq h VAL 103 N 0.00 0.62 0.00 2.00 2.07 -0.83 -2.16 116.25 117.95 1ifq h VAL 103 Ca -0.13 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1ifq h VAL 103 Cb 1.51 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1ifq h VAL 103 CO 0.05 0.07 0.00 -0.81 0.02 0.00 0.00 177.57 176.90 1ifq n PRO 104 N -5.04 0.58 0.00 1.57 -0.04 -1.26 -3.75 135.00 127.07 1ifq n PRO 104 Ca 0.15 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1ifq n PRO 104 Cb 0.44 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1ifq n PRO 104 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ifq n THR 105 N -1.10 0.00 -1.62 0.52 -2.24 -0.83 -5.05 114.28 103.97 1ifq n THR 105 Ca 0.15 -0.48 -0.33 0.00 -2.27 0.00 0.00 64.05 61.12 1ifq n THR 105 Cb 0.11 1.00 0.06 0.00 -2.10 0.00 0.00 70.33 69.41 1ifq n THR 105 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1ifq s VAL 106 N -0.93 3.06 0.00 2.28 -7.23 -1.14 -4.95 120.40 111.50 1ifq s VAL 106 Ca 0.00 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 60.65 1ifq s VAL 106 Cb 0.01 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.96 1ifq s VAL 106 CO 0.03 -0.32 0.00 -1.54 -0.31 0.00 0.00 175.10 172.96 1ifq n SER 107 N -2.64 2.07 -4.80 4.85 3.41 -1.26 -5.05 113.62 110.20 1ifq n SER 107 Ca 0.11 -0.02 -0.38 0.00 -0.26 0.00 0.00 58.87 58.32 1ifq n SER 107 Cb 0.52 0.46 -0.06 0.00 -0.26 0.00 0.00 64.21 64.87 1ifq n SER 107 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ifq s ARG 108 N -0.87 4.34 0.50 4.33 3.00 -1.26 -5.04 118.95 123.95 1ifq s ARG 108 Ca 0.00 0.92 -0.21 0.00 0.00 0.00 0.00 55.73 56.45 1ifq s ARG 108 Cb 0.00 -3.09 -0.07 0.00 0.00 0.00 0.00 34.95 31.79 1ifq s ARG 108 CO 0.00 0.51 1.11 -1.25 0.00 0.00 0.00 175.30 175.67 1ifq s PRO 109 N -1.50 3.59 -1.34 3.54 0.04 -1.26 -3.61 135.00 134.47 1ifq s PRO 109 Ca 0.37 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.97 1ifq s PRO 109 Cb -0.19 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.22 1ifq s PRO 109 CO 0.22 -0.64 0.59 0.66 0.04 0.00 0.00 177.00 177.87 1ifq n TYR 110 N -1.00 -1.81 1.83 0.56 4.02 -0.70 -4.84 117.16 115.24 1ifq n TYR 110 Ca 0.10 0.79 0.15 0.00 -0.01 0.00 0.00 57.90 58.93 1ifq n TYR 110 Cb 0.51 -4.11 0.88 0.00 -0.02 0.00 0.00 39.34 36.60 1ifq n TYR 110 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1ifq n SER 111 N -3.02 0.00 -2.20 7.72 7.64 -1.23 -3.38 113.62 119.15 1ifq n SER 111 Ca -0.30 -0.88 -0.15 0.00 1.01 0.00 0.00 58.87 58.55 1ifq n SER 111 Cb 0.68 -0.02 0.04 0.00 -1.01 0.00 0.00 64.21 63.89 1ifq n SER 111 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ifq n PHE 112 N -1.02 2.16 -0.33 1.43 3.01 -1.04 -4.81 117.46 116.85 1ifq n PHE 112 Ca 0.22 -2.14 0.15 0.00 1.01 0.00 0.00 57.45 56.69 1ifq n PHE 112 Cb 0.11 -0.30 0.35 0.00 -0.01 0.00 0.00 39.48 39.63 1ifq n PHE 112 CO 0.00 0.00 0.00 -0.84 1.01 0.00 0.00 176.76 176.93 1ifq h ILE 113 N 3.24 0.55 -0.97 4.37 3.07 -1.69 0.19 117.51 126.27 1ifq h ILE 113 Ca 0.19 -0.19 0.27 0.00 1.55 0.00 0.00 64.86 66.68 1ifq h ILE 113 Cb 1.45 -0.05 -0.18 0.00 -0.27 0.00 0.00 36.82 37.77 1ifq h ILE 113 CO 0.55 0.10 0.05 -0.08 -1.05 0.00 0.00 178.15 177.72 1ifq h GLU 114 N 0.55 0.03 0.00 0.16 4.22 -1.91 1.00 114.58 118.62 1ifq h GLU 114 Ca 0.60 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.04 1ifq h GLU 114 Cb 1.11 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1ifq h GLU 114 CO -0.47 0.02 0.00 0.35 -2.18 0.00 0.00 179.01 176.72 1ifq h PHE 115 N 0.03 0.00 -1.00 0.92 3.57 -1.01 -2.48 116.94 116.96 1ifq h PHE 115 Ca 0.59 0.00 0.15 0.00 3.53 0.00 0.00 57.97 62.24 1ifq h PHE 115 Cb 1.23 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 39.87 1ifq h PHE 115 CO -0.46 0.00 0.62 -0.44 -2.23 0.00 0.00 178.31 175.80 1ifq h ASP 116 N 0.00 0.87 -0.35 0.41 5.19 0.94 -0.54 116.42 122.94 1ifq h ASP 116 Ca 0.00 0.06 0.04 0.00 -0.62 0.00 0.00 57.03 56.52 1ifq h ASP 116 Cb 0.00 -0.10 -0.04 0.00 0.18 0.00 0.00 39.33 39.37 1ifq h ASP 116 CO 0.00 0.41 0.10 0.71 -3.12 0.00 0.00 179.24 177.35 1ifq h THR 117 N 0.91 0.88 -0.83 0.35 1.35 -1.60 -0.43 112.91 113.54 1ifq h THR 117 Ca 0.52 -0.08 -0.02 0.00 -0.55 0.00 0.00 66.41 66.28 1ifq h THR 117 Cb 0.64 0.62 -0.04 0.00 -1.73 0.00 0.00 68.15 67.64 1ifq h THR 117 CO -0.30 0.04 0.44 0.15 -0.25 0.00 0.00 175.52 175.60 1ifq h PHE 118 N 0.24 1.16 -0.19 4.73 3.57 -1.31 -0.49 116.94 124.66 1ifq h PHE 118 Ca 0.16 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1ifq h PHE 118 Cb 0.15 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 1ifq h PHE 118 CO -0.15 0.82 0.08 0.82 -2.23 0.00 0.00 178.31 177.65 1ifq h ILE 119 N 1.17 0.98 0.25 1.41 2.04 -0.68 0.17 117.51 122.85 1ifq h ILE 119 Ca 0.29 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 66.09 1ifq h ILE 119 Cb 0.06 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1ifq h ILE 119 CO -0.04 0.03 -0.22 1.56 0.00 0.00 0.00 178.15 179.48 1ifq h GLN 120 N 0.18 -0.47 -0.81 2.37 4.20 -0.63 0.21 115.11 120.15 1ifq h GLN 120 Ca 0.08 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.89 1ifq h GLN 120 Cb 0.03 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 1ifq h GLN 120 CO -0.07 -0.32 0.49 0.87 -0.67 0.00 0.00 178.83 179.14 1ifq h LYS 121 N -0.49 0.86 -0.19 1.46 1.57 -0.93 -1.65 116.57 117.19 1ifq h LYS 121 Ca -0.01 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.61 1ifq h LYS 121 Cb 0.44 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1ifq h LYS 121 CO -0.03 0.57 -0.33 1.15 -0.57 0.00 0.00 179.45 180.24 1ifq h THR 122 N 0.88 1.28 0.26 -0.16 2.02 -0.28 -3.19 112.91 113.73 1ifq h THR 122 Ca 0.36 -1.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.14 1ifq h THR 122 Cb 0.20 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1ifq h THR 122 CO -0.19 0.43 -0.13 0.50 0.37 0.00 0.00 175.52 176.50 1ifq h LYS 123 N 0.33 -0.35 -0.88 6.66 3.64 0.36 -2.93 116.57 123.40 1ifq h LYS 123 Ca 0.04 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.67 1ifq h LYS 123 Cb 0.74 0.08 -0.16 0.00 -0.41 0.00 0.00 32.23 32.49 1ifq h LYS 123 CO 0.06 -0.23 0.04 0.87 -2.27 0.00 0.00 179.45 177.92 1ifq h LYS 124 N -0.36 0.08 -0.02 1.90 1.57 -1.45 0.21 116.57 118.49 1ifq h LYS 124 Ca -0.03 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1ifq h LYS 124 Cb 0.28 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1ifq h LYS 124 CO 0.05 0.05 0.06 -0.07 -0.57 0.00 0.00 179.45 178.98 1ifq h LEU 125 N 0.08 0.00 0.00 2.94 3.38 -1.60 -3.22 115.31 116.89 1ifq h LEU 125 Ca 0.51 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 58.05 1ifq h LEU 125 Cb 0.98 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.67 1ifq h LEU 125 CO -0.78 0.00 -2.47 -1.22 0.09 0.00 0.00 178.44 174.06 1ifq n TYR 126 N -3.38 0.00 1.81 1.13 4.02 0.69 -5.16 117.16 116.27 1ifq n TYR 126 Ca -0.02 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.01 1ifq n TYR 126 Cb 0.14 -0.95 0.86 0.00 -0.02 0.00 0.00 39.34 39.36 1ifq n TYR 126 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96