#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifq s SER 1 N 0.00 5.35 0.56 1.61 1.04 -1.26 -4.83 113.70 116.17 1ifq s SER 1 Ca 0.00 -0.43 -0.05 0.00 0.48 0.00 0.00 55.95 55.94 1ifq s SER 1 Cb 0.00 -2.55 -0.00 0.00 0.10 0.00 0.00 66.02 63.57 1ifq s SER 1 CO 0.00 -2.48 0.86 0.68 0.98 0.00 0.00 173.24 173.28 1ifq s VAL 2 N 9.11 3.97 -0.35 5.02 -7.23 -1.26 -4.80 120.40 124.87 1ifq s VAL 2 Ca 0.65 0.02 0.15 0.00 -1.81 0.00 0.00 61.98 60.99 1ifq s VAL 2 Cb -0.08 -3.55 0.40 0.00 0.56 0.00 0.00 36.38 33.71 1ifq s VAL 2 CO 0.06 -0.55 0.86 -0.11 -0.31 0.00 0.00 175.10 175.05 1ifq n LEU 3 N -2.48 0.95 -4.51 1.32 7.94 -1.25 -4.46 117.00 114.51 1ifq n LEU 3 Ca 0.03 -4.32 -0.44 0.00 -1.11 0.00 0.00 56.01 50.17 1ifq n LEU 3 Cb 0.57 0.57 -0.06 0.00 0.53 0.00 0.00 43.42 45.03 1ifq n LEU 3 CO 0.53 1.93 1.91 0.18 -1.11 0.00 0.00 177.39 180.83 1ifq n LEU 4 N 0.10 2.25 -4.84 -1.96 4.77 -0.48 -4.73 117.00 112.11 1ifq n LEU 4 Ca 0.16 0.11 -0.26 0.00 -0.03 0.00 0.00 56.01 55.99 1ifq n LEU 4 Cb 0.74 -1.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 1ifq n LEU 4 CO 0.23 -0.94 -0.04 -0.89 -1.33 0.00 0.00 177.39 174.42 1ifq s THR 5 N 8.97 1.89 -0.29 -5.08 2.01 0.80 0.44 115.64 124.38 1ifq s THR 5 Ca 1.07 -1.58 -0.16 0.00 0.31 0.00 0.00 61.69 61.34 1ifq s THR 5 Cb -0.61 -2.47 0.14 0.00 0.01 0.00 0.00 72.50 69.58 1ifq s THR 5 CO 0.40 0.00 0.93 -0.63 -0.69 0.00 0.00 174.62 174.63 1ifq s ILE 7 N -2.70 -0.12 0.05 1.82 1.01 -0.09 -0.02 121.20 121.15 1ifq s ILE 7 Ca 0.35 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.93 1ifq s ILE 7 Cb -0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 1ifq s ILE 7 CO 0.20 0.00 0.12 0.00 0.00 0.00 0.00 174.94 175.26 1ifq s ALA 8 N 1.62 -0.06 -0.01 9.38 0.00 -0.82 -0.73 121.76 131.14 1ifq s ALA 8 Ca -0.08 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.94 1ifq s ALA 8 Cb -0.04 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1ifq s ALA 8 CO -0.16 -0.39 1.21 0.50 0.00 0.00 0.00 175.76 176.93 1ifq s ARG 9 N -3.16 4.38 0.21 0.00 3.52 0.31 -0.27 118.95 123.94 1ifq s ARG 9 Ca -0.00 1.73 -0.08 0.00 -0.13 0.00 0.00 55.73 57.24 1ifq s ARG 9 Cb 0.02 -3.49 0.16 0.00 -1.56 0.00 0.00 34.95 30.08 1ifq s ARG 9 CO -0.07 -0.39 1.81 0.28 -0.81 0.00 0.00 175.30 176.12 1ifq h VAL 10 N 4.84 1.25 -0.62 7.11 2.07 -1.16 0.48 116.25 130.22 1ifq h VAL 10 Ca -0.37 -0.70 0.12 0.00 0.82 0.00 0.00 66.70 66.58 1ifq h VAL 10 Cb 1.18 0.23 -0.12 0.00 -1.52 0.00 0.00 31.29 31.06 1ifq h VAL 10 CO 0.86 0.30 -0.21 0.00 0.02 0.00 0.00 177.57 178.53 1ifq h ALA 11 N 1.21 0.29 0.00 1.67 0.00 -1.91 -3.28 119.26 117.23 1ifq h ALA 11 Ca 0.28 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1ifq h ALA 11 Cb 0.11 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ifq h ALA 11 CO -0.04 -0.50 0.00 -0.40 0.00 0.00 0.00 179.25 178.32 1ifq n ASP 12 N -5.44 0.85 0.00 0.00 3.85 -1.21 -5.00 116.55 109.60 1ifq n ASP 12 Ca 0.07 -1.39 0.00 0.00 -0.71 0.00 0.00 54.79 52.76 1ifq n ASP 12 Cb 0.34 0.00 0.00 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 -0.19 0.42 3.68 6.12 0.00 0.17 -4.90 105.19 110.48 1ifq n GLY 13 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1ifq n GLY 13 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ifq n LEU 14 N 0.00 3.74 -4.77 0.99 7.94 -1.20 -4.54 117.00 119.15 1ifq n LEU 14 Ca 0.00 0.98 -0.41 0.00 -1.11 0.00 0.00 56.01 55.47 1ifq n LEU 14 Cb 0.11 -1.47 -0.01 0.00 0.53 0.00 0.00 43.42 42.58 1ifq n LEU 14 CO 0.00 0.04 1.12 -2.84 -1.11 0.00 0.00 177.39 174.60 1ifq s PRO 15 N 3.21 4.17 -0.06 1.96 0.02 -1.26 -0.53 135.00 142.51 1ifq s PRO 15 Ca 0.86 2.48 -0.01 0.00 0.02 0.00 0.00 61.00 64.36 1ifq s PRO 15 Cb -0.57 -3.00 -0.03 0.00 0.02 0.00 0.00 34.50 30.91 1ifq s PRO 15 CO 0.43 -0.47 -0.06 1.28 -0.33 0.00 0.00 177.00 177.85 1ifq n LEU 16 N 0.84 1.89 -3.50 -5.54 4.77 0.09 -1.36 117.00 114.20 1ifq n LEU 16 Ca 0.02 0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 1ifq n LEU 16 Cb 0.40 -0.19 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1ifq n LEU 16 CO 0.63 0.39 0.51 0.00 -1.33 0.00 0.00 177.39 177.59 1ifq s ALA 17 N -2.11 -1.76 0.16 -1.18 0.00 -1.15 -2.40 121.76 113.32 1ifq s ALA 17 Ca -0.08 1.09 -0.20 0.00 0.00 0.00 0.00 51.96 52.77 1ifq s ALA 17 Cb 0.03 0.19 0.05 0.00 0.00 0.00 0.00 23.12 23.39 1ifq s ALA 17 CO 0.12 -0.51 0.54 0.00 0.00 0.00 0.00 175.76 175.91 1ifq s ALA 18 N -2.13 -1.33 -0.26 0.00 0.00 -1.26 -0.91 121.76 115.86 1ifq s ALA 18 Ca -0.04 0.24 -0.07 0.00 0.00 0.00 0.00 51.96 52.09 1ifq s ALA 18 Cb -0.00 0.83 0.13 0.00 0.00 0.00 0.00 23.12 24.07 1ifq s ALA 18 CO -0.00 -0.74 0.54 0.45 0.00 0.00 0.00 175.76 176.00 1ifq s SER 19 N -2.78 -0.75 0.00 0.00 0.15 0.97 -4.84 113.70 106.45 1ifq s SER 19 Ca 0.03 1.15 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1ifq s SER 19 Cb -0.00 1.85 0.00 0.00 -1.71 0.00 0.00 66.02 66.16 1ifq s SER 19 CO -0.11 -0.24 0.00 0.00 1.20 0.00 0.00 173.24 174.09 1ifq n GLN 21 N 5.42 -0.36 -2.97 5.44 6.02 -1.26 -0.14 117.38 129.54 1ifq n GLN 21 Ca -0.08 0.51 -0.40 0.00 -0.01 0.00 0.00 57.00 57.02 1ifq n GLN 21 Cb 0.50 -0.49 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 1ifq n GLN 21 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1ifq s GLU 22 N -0.33 4.52 -0.31 -1.09 2.56 -1.26 -4.96 118.70 117.83 1ifq s GLU 22 Ca 0.00 1.11 -0.35 0.00 0.00 0.00 0.00 54.97 55.73 1ifq s GLU 22 Cb 0.00 -3.35 -0.11 0.00 2.00 0.00 0.00 34.13 32.68 1ifq s GLU 22 CO 0.00 0.33 2.15 -0.40 -0.56 0.00 0.00 175.26 176.78 1ifq n ASP 23 N 2.58 2.36 -2.17 -1.70 5.75 -1.26 -3.74 116.55 118.37 1ifq n ASP 23 Ca -0.03 0.45 -0.01 0.00 -0.01 0.00 0.00 54.79 55.20 1ifq n ASP 23 Cb 0.50 -1.30 -0.01 0.00 -1.03 0.00 0.00 41.12 39.28 1ifq n ASP 23 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ifq n GLU 24 N 8.04 -2.16 -3.56 0.11 1.02 -1.26 -5.11 120.64 117.71 1ifq n GLU 24 Ca 0.38 1.91 -0.13 0.00 -0.02 0.00 0.00 57.16 59.30 1ifq n GLU 24 Cb 0.25 -3.46 -0.05 0.00 -0.02 0.00 0.00 31.44 28.16 1ifq n GLU 24 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 1ifq s GLN 25 N -0.90 0.72 0.51 3.49 -2.07 -1.25 -5.16 119.66 115.01 1ifq s GLN 25 Ca -0.04 0.19 -0.22 0.00 -1.82 0.00 0.00 55.36 53.47 1ifq s GLN 25 Cb 0.00 0.34 -0.06 0.00 -1.09 0.00 0.00 33.01 32.20 1ifq s GLN 25 CO 0.45 -0.22 1.23 -1.54 -1.32 0.00 0.00 175.29 173.89 1ifq s SER 26 N -1.11 5.73 0.00 12.60 1.04 -1.26 -4.84 113.70 125.86 1ifq s SER 26 Ca -0.04 2.46 0.24 0.00 0.48 0.00 0.00 55.95 59.09 1ifq s SER 26 Cb -0.00 -2.61 1.45 0.00 0.10 0.00 0.00 66.02 64.96 1ifq s SER 26 CO 0.04 -1.23 1.82 0.61 0.98 0.00 0.00 173.24 175.45 1ifq n GLY 27 N 0.53 -0.77 0.11 7.32 0.00 -1.26 -2.37 105.19 108.75 1ifq n GLY 27 Ca 0.09 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.76 1ifq n GLY 27 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1ifq h ARG 28 N 0.00 0.13 -0.20 1.61 -0.00 -1.99 -2.77 114.38 111.16 1ifq h ARG 28 Ca 0.00 -0.22 -0.03 0.00 -0.00 0.00 0.00 59.98 59.73 1ifq h ARG 28 Cb 0.00 0.08 -0.01 0.00 -0.00 0.00 0.00 29.97 30.05 1ifq h ARG 28 CO 0.00 1.11 0.01 -0.44 -0.00 0.00 0.00 179.97 180.64 1ifq h ASP 29 N -0.61 0.34 0.17 0.08 3.32 -1.84 -1.85 116.42 116.03 1ifq h ASP 29 Ca -0.28 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.49 1ifq h ASP 29 Cb 1.51 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.93 1ifq h ASP 29 CO -0.04 0.55 -0.41 0.25 -1.72 0.00 0.00 179.24 177.88 1ifq h LEU 30 N 0.12 -1.19 -1.15 1.55 5.85 -1.64 0.23 115.31 119.08 1ifq h LEU 30 Ca 0.06 0.13 0.10 0.00 0.84 0.00 0.00 57.88 59.01 1ifq h LEU 30 Cb 0.38 0.44 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 1ifq h LEU 30 CO 0.01 -0.50 0.59 1.56 -0.34 0.00 0.00 178.44 179.77 1ifq h GLN 31 N -0.68 0.89 0.01 1.25 7.50 -1.49 0.62 115.11 123.21 1ifq h GLN 31 Ca 0.01 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.11 1ifq h GLN 31 Cb 0.68 -0.20 0.00 0.00 0.05 0.00 0.00 27.48 28.01 1ifq h GLN 31 CO -0.21 0.59 -0.00 0.37 -1.50 0.00 0.00 178.83 178.08 1ifq h GLN 32 N 0.92 -0.01 0.10 1.46 5.75 -0.61 -0.24 115.11 122.48 1ifq h GLN 32 Ca 0.44 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.94 1ifq h GLN 32 Cb 0.43 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.98 1ifq h GLN 32 CO -0.20 0.20 -0.07 1.88 -2.65 0.00 0.00 178.83 178.00 1ifq h TYR 33 N -0.22 -0.17 -0.88 3.99 0.99 0.51 -0.83 116.97 120.36 1ifq h TYR 33 Ca -0.00 -0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.86 1ifq h TYR 33 Cb 0.21 0.06 -0.09 0.00 1.00 0.00 0.00 36.73 37.92 1ifq h TYR 33 CO -0.01 -0.11 0.49 1.96 -0.00 0.00 0.00 178.16 180.50 1ifq h GLN 34 N -0.17 0.72 0.59 4.88 4.20 0.27 -0.36 115.11 125.25 1ifq h GLN 34 Ca -0.01 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 1ifq h GLN 34 Cb 0.14 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 27.77 1ifq h GLN 34 CO 0.00 0.48 -0.29 0.77 -0.67 0.00 0.00 178.83 179.12 1ifq h SER 35 N 0.74 -0.68 -0.74 1.46 0.02 -0.35 -0.32 113.55 113.70 1ifq h SER 35 Ca 0.46 0.01 0.15 0.00 -0.84 0.00 0.00 61.79 61.57 1ifq h SER 35 Cb 0.56 0.17 -0.05 0.00 0.14 0.00 0.00 62.40 63.23 1ifq h SER 35 CO -0.32 -0.45 0.50 1.56 -1.14 0.00 0.00 176.83 176.98 1ifq h GLN 36 N -0.84 0.36 0.13 3.45 4.20 -0.60 0.46 115.11 122.28 1ifq h GLN 36 Ca -0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1ifq h GLN 36 Cb 0.63 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1ifq h GLN 36 CO 0.13 0.24 -0.06 0.00 -0.67 0.00 0.00 178.83 178.47 1ifq h ALA 37 N 1.65 -0.18 -0.88 3.87 0.00 -0.62 0.12 119.26 123.22 1ifq h ALA 37 Ca 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ifq h ALA 37 Cb 0.89 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1ifq h ALA 37 CO -0.11 -0.47 0.56 -0.22 0.00 0.00 0.00 179.25 179.01 1ifq h LYS 38 N -0.44 1.18 -0.53 0.00 3.64 0.64 -1.10 116.57 119.96 1ifq h LYS 38 Ca -0.02 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.21 1ifq h LYS 38 Cb 0.35 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 1ifq h LYS 38 CO 0.03 0.80 0.07 0.37 -2.27 0.00 0.00 179.45 178.45 1ifq h GLN 39 N 1.20 0.84 -0.37 1.90 5.75 -0.05 -2.74 115.11 121.64 1ifq h GLN 39 Ca 0.32 -0.20 -0.08 0.00 -0.15 0.00 0.00 58.65 58.54 1ifq h GLN 39 Cb -0.10 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 1ifq h GLN 39 CO -0.06 0.80 -0.09 1.25 -2.65 0.00 0.00 178.83 178.07 1ifq h LEU 40 N 0.80 0.72 -0.03 -2.39 5.85 -0.16 -3.10 115.31 117.00 1ifq h LEU 40 Ca 0.16 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 1ifq h LEU 40 Cb 0.38 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1ifq h LEU 40 CO 0.01 0.92 0.02 -0.26 -0.34 0.00 0.00 178.44 178.78 1ifq h PHE 41 N 0.51 0.04 -0.91 1.25 0.05 -1.13 -2.72 116.94 114.03 1ifq h PHE 41 Ca 0.09 0.00 0.20 0.00 3.82 0.00 0.00 57.97 62.08 1ifq h PHE 41 Cb 0.61 -0.01 -0.07 0.00 2.00 0.00 0.00 35.95 38.47 1ifq h PHE 41 CO 0.05 0.06 0.60 0.00 -0.18 0.00 0.00 178.31 178.84 1ifq h ARG 42 N 0.00 0.46 -0.49 1.51 3.08 -1.52 -1.62 114.38 115.80 1ifq h ARG 42 Ca 0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1ifq h ARG 42 Cb 0.03 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1ifq h ARG 42 CO -0.00 0.30 0.00 1.63 -1.07 0.00 0.00 179.97 180.83 1ifq n LYS 43 N -4.54 2.11 -3.95 0.04 5.02 -1.03 -4.92 118.16 110.89 1ifq n LYS 43 Ca 0.19 -1.29 -0.36 0.00 -2.02 0.00 0.00 58.31 54.84 1ifq n LYS 43 Cb 0.66 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 34.16 1ifq n LYS 43 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ifq s LEU 44 N -1.08 4.27 0.00 -0.35 1.43 -0.61 -4.97 118.68 117.37 1ifq s LEU 44 Ca 0.23 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1ifq s LEU 44 Cb 0.14 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1ifq s LEU 44 CO 0.13 0.36 0.00 -0.46 0.23 0.00 0.00 176.35 176.61 1ifq n ASN 45 N 1.66 0.00 0.02 2.29 0.23 -1.26 -4.91 115.26 113.29 1ifq n ASN 45 Ca -0.17 -0.66 0.08 0.00 -0.53 0.00 0.00 54.58 53.30 1ifq n ASN 45 Cb 0.54 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.60 1ifq n ASN 45 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1ifq n GLU 46 N 0.00 0.03 0.11 -3.83 0.00 -1.26 -2.17 120.64 113.53 1ifq n GLU 46 Ca 0.00 0.26 0.12 0.00 0.00 0.00 0.00 57.16 57.54 1ifq n GLU 46 Cb 0.00 -1.56 0.12 0.00 0.00 0.00 0.00 31.44 29.99 1ifq n GLU 46 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.13 179.09 1ifq h GLN 47 N 0.00 0.00 -7.11 3.44 4.20 -1.99 -3.47 115.11 110.18 1ifq h GLN 47 Ca 0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 1ifq h GLN 47 Cb 0.30 0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.12 1ifq h GLN 47 CO 0.00 0.00 0.39 -1.12 -0.67 0.00 0.00 178.83 177.43 1ifq s SER 48 N -5.13 6.09 0.82 1.46 0.01 -0.92 -5.01 113.70 111.03 1ifq s SER 48 Ca 0.04 1.93 -0.13 0.00 1.31 0.00 0.00 55.95 59.10 1ifq s SER 48 Cb 0.10 -2.56 0.09 0.00 0.21 0.00 0.00 66.02 63.87 1ifq s SER 48 CO 0.73 -0.96 1.20 -2.84 0.41 0.00 0.00 173.24 171.79 1ifq s PRO 49 N -3.49 1.54 0.08 12.44 0.02 -1.26 -4.93 135.00 139.41 1ifq s PRO 49 Ca 0.67 1.74 0.16 0.00 0.02 0.00 0.00 61.00 63.59 1ifq s PRO 49 Cb -0.17 -1.77 -0.12 0.00 0.02 0.00 0.00 34.50 32.46 1ifq s PRO 49 CO 0.26 -2.28 0.90 1.15 -0.33 0.00 0.00 177.00 176.70 1ifq h THR 50 N -1.03 0.59 -3.97 0.99 2.02 -1.94 -3.44 112.91 106.13 1ifq h THR 50 Ca -0.46 -2.09 -0.43 0.00 0.77 0.00 0.00 66.41 64.20 1ifq h THR 50 Cb 1.29 2.12 -0.30 0.00 -1.74 0.00 0.00 68.15 69.53 1ifq h THR 50 CO 0.45 0.34 -0.79 -0.60 0.37 0.00 0.00 175.52 175.29 1ifq s ARG 51 N -2.90 0.93 -0.17 6.66 3.52 -1.26 0.09 118.95 125.83 1ifq s ARG 51 Ca -0.02 -0.36 -0.28 0.00 -0.13 0.00 0.00 55.73 54.94 1ifq s ARG 51 Cb 0.09 -0.88 0.08 0.00 -1.56 0.00 0.00 34.95 32.67 1ifq s ARG 51 CO 0.80 0.18 0.78 0.00 -0.81 0.00 0.00 175.30 176.25 1ifq s THR 53 N -0.48 2.23 -0.18 0.00 2.01 -1.26 -1.63 115.64 116.33 1ifq s THR 53 Ca -0.04 -0.98 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 1ifq s THR 53 Cb -0.02 -1.84 0.05 0.00 0.01 0.00 0.00 72.50 70.70 1ifq s THR 53 CO 0.04 0.56 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.77 1ifq s LEU 54 N 0.07 1.41 0.34 4.42 1.43 0.12 -5.01 118.68 121.46 1ifq s LEU 54 Ca -0.10 -0.74 -0.27 0.00 -1.03 0.00 0.00 54.13 51.99 1ifq s LEU 54 Cb -0.16 -0.74 -0.09 0.00 0.03 0.00 0.00 46.19 45.24 1ifq s LEU 54 CO 0.06 -0.25 1.13 -1.61 0.23 0.00 0.00 176.35 175.91 1ifq s GLU 55 N 1.75 4.36 -0.37 1.70 2.02 -1.26 -0.58 118.70 126.32 1ifq s GLU 55 Ca -0.00 1.80 0.13 0.00 0.02 0.00 0.00 54.97 56.92 1ifq s GLU 55 Cb -0.16 -2.91 0.40 0.00 0.10 0.00 0.00 34.13 31.56 1ifq s GLU 55 CO -0.07 -0.04 1.04 0.00 0.02 0.00 0.00 175.26 176.20 1ifq n ALA 56 N 0.60 2.09 -0.35 5.21 0.00 -1.26 -4.90 120.51 121.90 1ifq n ALA 56 Ca 0.02 -2.50 0.00 0.00 0.00 0.00 0.00 53.44 50.96 1ifq n ALA 56 Cb 0.46 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.09 2.29 0.00 0.00 0.00 -1.26 -4.69 105.19 101.43 1ifq n GLY 57 Ca 0.08 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 10.53 1.42 -3.54 4.61 0.00 -1.26 -4.65 120.51 127.62 1ifq n ALA 58 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1ifq n ALA 58 Cb 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 1ifq n ALA 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ifq s THR 60 N -1.90 -0.05 -0.02 0.00 2.01 -0.58 -0.72 115.64 114.39 1ifq s THR 60 Ca 0.00 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.86 1ifq s THR 60 Cb 0.00 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 1ifq s THR 60 CO 0.00 0.00 0.38 -0.36 -0.69 0.00 0.00 174.62 173.95 1ifq s PHE 61 N 1.38 3.70 0.00 4.92 0.40 0.26 -2.21 117.98 126.44 1ifq s PHE 61 Ca -0.06 0.93 0.02 0.00 -0.60 0.00 0.00 56.93 57.22 1ifq s PHE 61 Cb -0.02 -2.26 -0.01 0.00 0.51 0.00 0.00 43.02 41.24 1ifq s PHE 61 CO -0.12 0.63 -0.06 -1.01 0.70 0.00 0.00 175.22 175.35 1ifq s HIS 62 N -0.98 0.55 0.20 0.36 3.76 -0.15 0.13 115.29 119.16 1ifq s HIS 62 Ca 0.23 -0.15 -0.21 0.00 -0.15 0.00 0.00 55.06 54.78 1ifq s HIS 62 Cb -0.16 -0.35 0.04 0.00 1.11 0.00 0.00 32.58 33.23 1ifq s HIS 62 CO 0.12 -0.02 0.60 1.52 -0.85 0.00 0.00 174.74 176.12 1ifq s TYR 63 N -0.31 -0.30 0.02 1.40 -0.85 -0.64 0.15 117.35 116.82 1ifq s TYR 63 Ca 0.01 -0.02 -0.03 0.00 -0.52 0.00 0.00 57.07 56.51 1ifq s TYR 63 Cb -0.03 0.54 -0.02 0.00 0.38 0.00 0.00 41.96 42.83 1ifq s TYR 63 CO -0.00 -0.97 0.03 0.96 -1.52 0.00 0.00 175.55 174.05 1ifq s ILE 64 N -3.84 0.12 -0.13 -3.49 -4.36 -0.18 -1.40 121.20 107.92 1ifq s ILE 64 Ca 0.06 -0.98 0.02 0.00 -0.26 0.00 0.00 60.65 59.49 1ifq s ILE 64 Cb -0.02 -0.55 0.01 0.00 1.25 0.00 0.00 42.46 43.16 1ifq s ILE 64 CO -0.04 -0.54 -0.18 -0.63 0.24 0.00 0.00 174.94 173.78 1ifq s ILE 65 N -1.90 1.79 -0.09 8.37 1.01 0.11 -0.72 121.20 129.78 1ifq s ILE 65 Ca -0.11 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.65 1ifq s ILE 65 Cb -0.06 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.82 1ifq s ILE 65 CO -0.02 0.50 0.23 -1.61 0.00 0.00 0.00 174.94 174.04 1ifq s GLU 66 N 1.00 0.26 -1.16 2.79 0.41 -0.36 -4.87 118.70 116.76 1ifq s GLU 66 Ca -0.05 0.34 -0.07 0.00 -0.41 0.00 0.00 54.97 54.79 1ifq s GLU 66 Cb -0.15 0.10 0.05 0.00 -1.78 0.00 0.00 34.13 32.35 1ifq s GLU 66 CO -0.04 -0.05 0.35 1.04 -0.49 0.00 0.00 175.26 176.07 1ifq n GLN 67 N 3.12 -3.08 -1.01 1.61 3.00 -1.26 -0.39 117.38 119.36 1ifq n GLN 67 Ca -0.14 0.48 -0.00 0.00 -0.01 0.00 0.00 57.00 57.32 1ifq n GLN 67 Cb 0.58 -5.15 -0.00 0.00 0.00 0.00 0.00 30.24 25.67 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 -1.05 0.47 3.41 1.08 0.00 -1.26 -4.99 105.19 102.85 1ifq n GLY 68 Ca -0.05 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.93 2.70 -0.32 1.61 1.01 0.47 -0.54 120.40 123.40 1ifq s VAL 69 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.06 1ifq s VAL 69 Cb 0.00 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.38 1ifq s VAL 69 CO 0.00 0.58 0.09 0.00 0.00 0.00 0.00 175.10 175.77 1ifq s TYR 71 N 1.43 3.14 -0.05 0.00 1.51 0.11 -1.94 117.35 121.54 1ifq s TYR 71 Ca -0.00 -0.09 0.05 0.00 -1.01 0.00 0.00 57.07 56.02 1ifq s TYR 71 Cb -0.19 -3.06 -0.02 0.00 -0.11 0.00 0.00 41.96 38.58 1ifq s TYR 71 CO 0.02 -0.71 -0.18 -1.17 -1.11 0.00 0.00 175.55 172.40 1ifq s LEU 72 N 2.45 2.49 -0.00 -1.29 2.96 -1.26 -1.01 118.68 123.02 1ifq s LEU 72 Ca 0.18 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1ifq s LEU 72 Cb -0.15 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 1ifq s LEU 72 CO 0.15 0.32 -0.06 0.54 -1.32 0.00 0.00 176.35 175.98 1ifq s VAL 73 N -0.58 0.49 -0.07 1.68 0.11 0.12 -4.39 120.40 117.76 1ifq s VAL 73 Ca 0.08 -0.30 0.05 0.00 -2.93 0.00 0.00 61.98 58.88 1ifq s VAL 73 Cb -0.11 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.31 1ifq s VAL 73 CO 0.01 0.11 -0.23 -0.22 -3.33 0.00 0.00 175.10 171.44 1ifq s LEU 74 N -0.22 2.20 0.00 2.54 2.96 0.17 -0.98 118.68 125.35 1ifq s LEU 74 Ca 0.02 -0.48 -0.29 0.00 -0.22 0.00 0.00 54.13 53.16 1ifq s LEU 74 Cb -0.03 -1.42 0.07 0.00 0.50 0.00 0.00 46.19 45.31 1ifq s LEU 74 CO -0.00 0.22 0.66 0.00 -1.32 0.00 0.00 176.35 175.91 1ifq n GLU 76 N 0.58 0.00 -0.25 0.00 1.02 -1.26 -1.53 120.64 119.19 1ifq n GLU 76 Ca -0.18 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.13 1ifq n GLU 76 Cb 0.59 -0.83 0.48 0.00 -0.02 0.00 0.00 31.44 31.65 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 0.44 2.10 0.00 0.62 0.00 -1.19 -1.84 119.26 119.40 1ifq h ALA 77 Ca -0.28 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ifq h ALA 77 Cb 1.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ifq h ALA 77 CO 0.42 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1ifq h ALA 78 N 1.61 1.00 -2.64 0.00 0.00 -1.86 -3.46 119.26 113.92 1ifq h ALA 78 Ca 0.47 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.81 1ifq h ALA 78 Cb 1.07 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.99 1ifq h ALA 78 CO -0.20 0.00 0.27 0.34 0.00 0.00 0.00 179.25 179.67 1ifq n PHE 79 N -2.99 1.43 -2.06 0.00 7.35 -0.69 -4.86 117.46 115.64 1ifq n PHE 79 Ca -0.00 0.50 -0.40 0.00 -0.76 0.00 0.00 57.45 56.78 1ifq n PHE 79 Cb 0.22 -2.26 -0.03 0.00 0.35 0.00 0.00 39.48 37.77 1ifq n PHE 79 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 1ifq s PRO 80 N -2.31 2.96 0.33 -7.13 0.02 -1.26 -4.87 135.00 122.74 1ifq s PRO 80 Ca 0.66 0.91 0.09 0.00 0.02 0.00 0.00 61.00 62.68 1ifq s PRO 80 Cb -0.50 -4.29 0.96 0.00 0.02 0.00 0.00 34.50 30.70 1ifq s PRO 80 CO 0.54 -2.32 1.60 -0.22 -0.33 0.00 0.00 177.00 176.27 1ifq h LYS 81 N 13.83 0.07 -0.87 5.54 3.64 -1.92 0.56 116.57 137.41 1ifq h LYS 81 Ca -0.29 -0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.27 1ifq h LYS 81 Cb 1.16 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.85 1ifq h LYS 81 CO 1.14 0.05 0.42 0.87 -2.27 0.00 0.00 179.45 179.67 1ifq h LYS 82 N 0.07 0.51 0.18 1.90 1.57 -2.02 -2.99 116.57 115.81 1ifq h LYS 82 Ca 0.68 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 59.14 1ifq h LYS 82 Cb 1.57 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 33.78 1ifq h LYS 82 CO -0.79 0.34 -1.36 -0.07 -0.57 0.00 0.00 179.45 177.00 1ifq h LEU 83 N 0.53 0.61 -0.90 2.94 3.38 -1.29 -3.29 115.31 117.29 1ifq h LEU 83 Ca 0.51 -0.92 0.24 0.00 0.09 0.00 0.00 57.88 57.80 1ifq h LEU 83 Cb 0.84 -0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.24 1ifq h LEU 83 CO -0.44 1.63 0.12 0.00 0.09 0.00 0.00 178.44 179.84 1ifq h ALA 84 N 0.08 1.16 -0.03 1.53 0.00 -1.35 1.75 119.26 122.40 1ifq h ALA 84 Ca -0.26 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1ifq h ALA 84 Cb 1.94 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 20.16 1ifq h ALA 84 CO 0.18 -0.51 -0.34 0.74 0.00 0.00 0.00 179.25 179.31 1ifq h PHE 85 N 0.10 0.06 -0.52 0.00 -1.00 -1.67 -0.32 116.94 113.59 1ifq h PHE 85 Ca 0.55 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 61.27 1ifq h PHE 85 Cb 1.11 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 40.64 1ifq h PHE 85 CO -0.38 0.39 0.14 0.00 -1.61 0.00 0.00 178.31 176.85 1ifq h ALA 86 N 1.61 0.68 -0.06 2.45 0.00 0.25 0.16 119.26 124.34 1ifq h ALA 86 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ifq h ALA 86 Cb 0.63 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ifq h ALA 86 CO 0.05 0.36 0.03 -0.92 0.00 0.00 0.00 179.25 178.76 1ifq h TYR 87 N 0.71 0.09 -0.23 0.00 3.20 -0.23 -2.20 116.97 118.31 1ifq h TYR 87 Ca 0.16 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 1ifq h TYR 87 Cb 0.31 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1ifq h TYR 87 CO 0.02 0.19 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.64 1ifq h LEU 88 N -0.03 0.32 -0.55 2.82 3.38 -0.82 -2.54 115.31 117.88 1ifq h LEU 88 Ca 0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1ifq h LEU 88 Cb 0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ifq h LEU 88 CO -0.00 0.39 0.06 -0.33 0.09 0.00 0.00 178.44 178.64 1ifq h GLU 89 N 0.34 0.94 -0.39 1.13 4.39 -0.37 -1.73 114.58 118.88 1ifq h GLU 89 Ca 0.08 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 1ifq h GLU 89 Cb 0.25 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1ifq h GLU 89 CO 0.01 0.92 0.11 -0.44 -1.16 0.00 0.00 179.01 178.44 1ifq h ASP 90 N 0.82 0.59 -0.77 1.42 3.32 -1.03 -2.43 116.42 118.33 1ifq h ASP 90 Ca 0.16 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.00 1ifq h ASP 90 Cb 0.46 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 1ifq h ASP 90 CO 0.02 0.65 0.51 -0.07 -1.72 0.00 0.00 179.24 178.63 1ifq h LEU 91 N 0.49 0.89 0.46 1.55 3.38 -1.36 -2.67 115.31 118.05 1ifq h LEU 91 Ca 0.13 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1ifq h LEU 91 Cb 0.28 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ifq h LEU 91 CO -0.00 0.65 -0.33 -0.74 0.09 0.00 0.00 178.44 178.11 1ifq h HIS 92 N 1.05 -0.88 -0.70 1.13 2.76 -1.01 0.24 115.15 117.73 1ifq h HIS 92 Ca 0.28 -0.00 0.14 0.00 -2.20 0.00 0.00 60.37 58.59 1ifq h HIS 92 Cb -0.12 0.32 -0.10 0.00 1.55 0.00 0.00 27.41 29.07 1ifq h HIS 92 CO -0.02 -0.47 0.22 0.66 -1.30 0.00 0.00 177.93 177.02 1ifq h SER 93 N -0.75 0.12 -0.26 3.26 4.64 -1.45 0.36 113.55 119.49 1ifq h SER 93 Ca -0.06 0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1ifq h SER 93 Cb 0.61 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1ifq h SER 93 CO 0.03 0.04 -0.01 -0.08 -0.87 0.00 0.00 176.83 175.94 1ifq h GLU 94 N 0.34 0.46 0.48 4.77 4.57 -1.42 -2.37 114.58 121.41 1ifq h GLU 94 Ca 0.38 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1ifq h GLU 94 Cb 0.60 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1ifq h GLU 94 CO -0.43 0.64 -0.23 0.35 -1.18 0.00 0.00 179.01 178.15 1ifq h PHE 95 N 0.23 -0.60 -0.67 0.92 3.57 0.60 -1.59 116.94 119.40 1ifq h PHE 95 Ca 0.07 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.65 1ifq h PHE 95 Cb 0.43 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 1ifq h PHE 95 CO 0.04 -0.32 0.31 0.22 -2.23 0.00 0.00 178.31 176.33 1ifq h ASP 96 N -0.76 0.39 -0.56 0.41 3.58 -0.39 0.61 116.42 119.70 1ifq h ASP 96 Ca -0.07 0.06 0.01 0.00 0.42 0.00 0.00 57.03 57.45 1ifq h ASP 96 Cb 0.55 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.57 1ifq h ASP 96 CO 0.11 0.22 0.37 -0.33 -2.88 0.00 0.00 179.24 176.73 1ifq h GLU 97 N 0.54 0.73 0.01 0.28 3.07 -1.37 0.65 114.58 118.49 1ifq h GLU 97 Ca 0.33 -0.04 -0.20 0.00 -0.50 0.00 0.00 59.36 58.95 1ifq h GLU 97 Cb 0.36 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1ifq h GLU 97 CO -0.27 0.48 -0.92 1.96 -1.40 0.00 0.00 179.01 178.86 1ifq h GLN 98 N 0.75 0.06 0.00 2.33 1.08 -0.24 -3.42 115.11 115.67 1ifq h GLN 98 Ca 0.21 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1ifq h GLN 98 Cb -0.08 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 1ifq h GLN 98 CO -0.05 0.94 0.00 0.72 -0.95 0.00 0.00 178.83 179.49 1ifq n HIS 99 N -3.51 0.00 -0.53 2.96 8.25 0.20 -4.91 115.22 117.69 1ifq n HIS 99 Ca -0.02 0.00 0.43 0.00 -0.26 0.00 0.00 57.72 57.88 1ifq n HIS 99 Cb 0.86 0.00 0.72 0.00 1.12 0.00 0.00 29.99 32.69 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 1.00 1.87 -1.41 0.00 -0.85 0.27 103.07 103.96 1ifq h GLY 100 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 1ifq h GLY 100 CO 0.00 -0.35 -0.08 0.58 0.00 0.00 0.00 176.54 176.69 1ifq n LYS 101 N -4.52 0.13 -0.03 4.80 2.85 -1.26 -3.61 118.16 116.53 1ifq n LYS 101 Ca 0.41 0.10 0.04 0.00 -1.05 0.00 0.00 58.31 57.81 1ifq n LYS 101 Cb 1.68 -1.64 -0.14 0.00 -0.65 0.00 0.00 35.03 34.28 1ifq n LYS 101 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1ifq n LYS 102 N -1.87 0.76 -0.28 -1.58 4.81 0.91 -4.62 118.16 116.30 1ifq n LYS 102 Ca 0.06 -0.12 0.08 0.00 -0.87 0.00 0.00 58.31 57.46 1ifq n LYS 102 Cb 0.39 -1.43 0.21 0.00 0.02 0.00 0.00 35.03 34.22 1ifq n LYS 102 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1ifq h VAL 103 N 0.00 0.32 0.00 3.15 2.07 -1.48 -0.93 116.25 119.37 1ifq h VAL 103 Ca -0.13 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1ifq h VAL 103 Cb 1.17 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1ifq h VAL 103 CO 0.01 0.03 0.00 -0.81 0.02 0.00 0.00 177.57 176.81 1ifq n PRO 104 N -5.31 0.34 0.00 1.57 -0.04 -1.26 -3.62 135.00 126.67 1ifq n PRO 104 Ca 0.17 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1ifq n PRO 104 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.17 0.00 -1.06 0.52 -2.24 -0.37 -5.06 114.28 104.90 1ifq n THR 105 Ca 0.09 -0.40 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 1ifq n THR 105 Cb 0.10 1.04 0.12 0.00 -2.10 0.00 0.00 70.33 69.49 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 -0.63 2.85 0.00 2.28 -7.23 -1.11 -4.95 120.40 111.61 1ifq s VAL 106 Ca 0.00 0.28 0.00 0.00 -1.81 0.00 0.00 61.98 60.45 1ifq s VAL 106 Cb 0.00 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.35 1ifq s VAL 106 CO 0.00 -0.36 0.00 -1.54 -0.31 0.00 0.00 175.10 172.89 1ifq n SER 107 N -3.76 0.21 -4.78 4.85 3.41 -1.26 -5.05 113.62 107.23 1ifq n SER 107 Ca 0.10 -0.11 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1ifq n SER 107 Cb 0.53 0.25 -0.07 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.29 3.85 0.74 4.33 3.00 -1.26 -5.07 118.95 124.25 1ifq s ARG 108 Ca 0.00 -0.20 -0.15 0.00 0.00 0.00 0.00 55.73 55.38 1ifq s ARG 108 Cb 0.00 -3.30 0.03 0.00 0.00 0.00 0.00 34.95 31.68 1ifq s ARG 108 CO 0.00 0.50 1.12 -2.30 0.00 0.00 0.00 175.30 174.62 1ifq n PRO 109 N 2.88 0.50 -4.03 3.54 -0.02 -1.26 -3.15 135.00 133.45 1ifq n PRO 109 Ca -0.18 0.23 -0.31 0.00 -2.02 0.00 0.00 63.50 61.23 1ifq n PRO 109 Cb 0.53 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 1ifq n PRO 109 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1ifq n TYR 110 N -2.71 -1.89 1.66 6.00 4.02 -0.46 -4.83 117.16 118.94 1ifq n TYR 110 Ca 0.14 0.82 0.13 0.00 -0.01 0.00 0.00 57.90 58.97 1ifq n TYR 110 Cb 0.50 -3.54 0.75 0.00 -0.02 0.00 0.00 39.34 37.02 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 -2.82 0.00 -1.76 7.72 7.64 -1.19 -3.20 113.62 120.02 1ifq n SER 111 Ca -0.06 -0.87 -0.07 0.00 1.01 0.00 0.00 58.87 58.88 1ifq n SER 111 Cb 0.56 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.84 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 -0.97 1.36 -0.29 1.43 3.01 -1.01 -4.84 117.46 116.14 1ifq n PHE 112 Ca 0.19 -1.78 0.27 0.00 1.01 0.00 0.00 57.45 57.14 1ifq n PHE 112 Cb 0.09 -0.27 0.62 0.00 -0.01 0.00 0.00 39.48 39.91 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 3.28 0.51 -0.61 4.37 3.07 -1.66 -1.36 117.51 125.10 1ifq h ILE 113 Ca 0.08 -0.07 0.12 0.00 1.55 0.00 0.00 64.86 66.55 1ifq h ILE 113 Cb 1.39 0.29 -0.12 0.00 -0.27 0.00 0.00 36.82 38.12 1ifq h ILE 113 CO 0.35 0.04 -0.21 -0.08 -1.05 0.00 0.00 178.15 177.19 1ifq h GLU 114 N 0.20 -0.06 0.00 0.16 4.22 -1.91 0.28 114.58 117.47 1ifq h GLU 114 Ca 0.54 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.98 1ifq h GLU 114 Cb 1.74 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.01 1ifq h GLU 114 CO -0.14 -0.04 0.30 0.35 -2.18 0.00 0.00 179.01 177.30 1ifq h PHE 115 N -0.06 0.00 -0.78 0.92 3.57 -1.63 -0.66 116.94 118.30 1ifq h PHE 115 Ca 0.28 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.87 1ifq h PHE 115 Cb 0.50 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.18 1ifq h PHE 115 CO -0.55 0.00 0.51 -0.44 -2.23 0.00 0.00 178.31 175.60 1ifq h ASP 116 N 0.00 0.64 -0.44 0.41 5.19 -0.58 -0.87 116.42 120.77 1ifq h ASP 116 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 1ifq h ASP 116 Cb 0.61 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1ifq h ASP 116 CO 0.00 0.38 0.28 0.71 -3.12 0.00 0.00 179.24 177.49 1ifq h THR 117 N 0.71 1.13 -0.09 0.35 1.35 -1.28 -1.94 112.91 113.14 1ifq h THR 117 Ca 0.36 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.95 1ifq h THR 117 Cb 0.45 0.51 -0.00 0.00 -1.73 0.00 0.00 68.15 67.37 1ifq h THR 117 CO -0.13 0.13 0.04 0.15 -0.25 0.00 0.00 175.52 175.45 1ifq h PHE 118 N 0.59 0.14 -0.21 4.73 3.57 -1.37 -2.19 116.94 122.19 1ifq h PHE 118 Ca 0.16 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1ifq h PHE 118 Cb -0.03 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.59 1ifq h PHE 118 CO -0.04 0.25 -0.52 0.82 -2.23 0.00 0.00 178.31 176.59 1ifq h ILE 119 N -0.01 0.03 -1.01 1.41 2.04 -1.09 0.21 117.51 119.09 1ifq h ILE 119 Ca 0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.01 1ifq h ILE 119 Cb 0.17 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.19 1ifq h ILE 119 CO -0.00 0.00 0.63 1.56 0.00 0.00 0.00 178.15 180.34 1ifq h GLN 120 N -0.51 0.97 0.39 2.37 4.20 -1.28 0.24 115.11 121.49 1ifq h GLN 120 Ca 0.06 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1ifq h GLN 120 Cb 0.65 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1ifq h GLN 120 CO -0.48 0.64 -0.19 0.87 -0.67 0.00 0.00 178.83 179.01 1ifq h LYS 121 N 1.00 -0.51 -0.73 1.46 1.57 -0.59 -2.77 116.57 116.01 1ifq h LYS 121 Ca 0.50 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 59.43 1ifq h LYS 121 Cb 0.48 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 1ifq h LYS 121 CO -0.26 -0.24 0.49 1.15 -0.57 0.00 0.00 179.45 180.01 1ifq h THR 122 N -0.71 0.87 0.00 -0.16 2.02 -0.01 -1.88 112.91 113.05 1ifq h THR 122 Ca -0.05 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1ifq h THR 122 Cb 0.50 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1ifq h THR 122 CO 0.09 0.10 -0.04 0.50 0.37 0.00 0.00 175.52 176.54 1ifq h LYS 123 N 0.53 0.00 -0.09 6.66 3.64 -0.26 -2.71 116.57 124.35 1ifq h LYS 123 Ca 0.35 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.50 1ifq h LYS 123 Cb 0.63 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1ifq h LYS 123 CO -0.12 0.04 -0.85 0.87 -2.27 0.00 0.00 179.45 177.11 1ifq h LYS 124 N 0.00 0.73 -0.05 1.90 1.57 -1.25 -2.94 116.57 116.53 1ifq h LYS 124 Ca -0.00 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 1ifq h LYS 124 Cb 0.08 0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1ifq h LYS 124 CO 0.00 1.27 0.00 1.28 -0.57 0.00 0.00 179.45 181.43 1ifq n LEU 125 N -3.94 0.05 0.10 2.94 4.77 -1.02 -3.73 117.00 116.17 1ifq n LEU 125 Ca -0.09 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1ifq n LEU 125 Cb 0.79 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.85 1ifq n LEU 125 CO 0.53 0.01 0.00 -1.22 -1.33 0.00 0.00 177.39 175.39 1ifq n TYR 126 N -0.23 -1.53 1.81 -1.77 4.02 -1.18 -5.12 117.16 113.16 1ifq n TYR 126 Ca 0.00 0.27 0.15 0.00 -0.01 0.00 0.00 57.90 58.31 1ifq n TYR 126 Cb 0.01 0.40 0.79 0.00 -0.02 0.00 0.00 39.34 40.52 1ifq n TYR 126 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 176.86 176.29