#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmq h LEU 3 N 0.00 0.75 -0.64 3.22 5.85 -2.05 -1.66 115.31 120.78 3hmq h LEU 3 Ca 0.00 -0.29 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3hmq h LEU 3 Cb 0.00 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 3hmq h LEU 3 CO 0.00 0.99 0.40 -0.61 -0.34 0.00 0.00 178.44 178.88 3hmq h GLN 4 N 0.62 0.76 -0.72 1.25 4.15 -1.99 -0.51 115.11 118.67 3hmq h GLN 4 Ca 0.08 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 3hmq h GLN 4 Cb 0.80 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 28.29 3hmq h GLN 4 CO 0.07 0.51 0.21 1.96 -1.93 0.00 0.00 178.83 179.64 3hmq h GLN 5 N 0.79 1.13 -0.55 1.69 4.20 -1.89 -1.50 115.11 118.97 3hmq h GLN 5 Ca 0.26 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 3hmq h GLN 5 Cb 0.01 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3hmq h GLN 5 CO -0.10 0.97 0.23 0.93 -0.67 0.00 0.00 178.83 180.19 3hmq h GLU 6 N 1.07 0.82 -0.14 1.46 5.08 -0.79 -1.43 114.58 120.64 3hmq h GLU 6 Ca 0.23 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3hmq h GLU 6 Cb 0.32 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3hmq h GLU 6 CO -0.00 0.71 0.05 0.82 -1.00 0.00 0.00 179.01 179.58 3hmq h ILE 7 N 0.75 1.17 -0.35 3.13 2.04 -0.92 -0.35 117.51 122.98 3hmq h ILE 7 Ca 0.18 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.56 3hmq h ILE 7 Cb 0.19 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3hmq h ILE 7 CO -0.02 0.15 0.18 0.40 0.00 0.00 0.00 178.15 178.86 3hmq h ILE 8 N 0.05 0.99 -0.46 -0.67 2.04 -1.21 -1.78 117.51 116.47 3hmq h ILE 8 Ca 0.04 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 3hmq h ILE 8 Cb 0.20 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3hmq h ILE 8 CO -0.00 0.07 0.13 -0.61 0.00 0.00 0.00 178.15 177.74 3hmq h GLN 9 N 0.36 0.72 -0.72 2.37 4.15 -1.18 -1.07 115.11 119.75 3hmq h GLN 9 Ca 0.14 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 3hmq h GLN 9 Cb 0.05 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3hmq h GLN 9 CO -0.10 0.70 0.37 0.00 -1.93 0.00 0.00 178.83 177.88 3hmq h ALA 10 N 0.99 1.29 0.00 3.38 0.00 -0.79 -2.88 119.26 121.24 3hmq h ALA 10 Ca 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hmq h ALA 10 Cb 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hmq h ALA 10 CO -0.00 0.56 -0.59 1.28 0.00 0.00 0.00 179.25 180.50 3hmq n LEU 11 N -4.35 0.56 -0.30 0.00 4.77 -0.69 -4.97 117.00 112.02 3hmq n LEU 11 Ca 0.07 0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 3hmq n LEU 11 Cb 0.12 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 3hmq n LEU 11 CO 0.38 0.09 -0.04 0.61 -1.33 0.00 0.00 177.39 177.10 3hmq n GLY 12 N 1.46 0.69 3.77 -0.72 0.00 -0.43 -3.79 105.19 106.16 3hmq n GLY 12 Ca 0.05 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 3hmq n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmq s ALA 13 N -2.13 3.26 0.16 4.61 0.00 -1.04 -4.79 121.76 121.82 3hmq s ALA 13 Ca 0.00 0.69 0.11 0.00 0.00 0.00 0.00 51.96 52.76 3hmq s ALA 13 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3hmq s ALA 13 CO 0.00 -0.01 -0.25 0.15 0.00 0.00 0.00 175.76 175.65 3hmq s LYS 14 N -1.82 1.43 0.44 0.00 1.02 -1.26 -4.82 119.74 114.73 3hmq s LYS 14 Ca 0.49 -1.41 0.11 0.00 0.02 0.00 0.00 55.97 55.17 3hmq s LYS 14 Cb -0.25 -1.84 0.99 0.00 -0.52 0.00 0.00 37.83 36.21 3hmq s LYS 14 CO 0.31 0.42 2.05 -1.35 -0.92 0.00 0.00 175.35 175.86 3hmq h PRO 15 N 3.59 0.25 -3.46 -1.68 0.11 -1.83 -3.44 132.00 125.55 3hmq h PRO 15 Ca -0.49 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.42 3hmq h PRO 15 Cb 1.19 -0.05 -0.24 0.00 0.11 0.00 0.00 31.00 32.00 3hmq h PRO 15 CO 0.43 0.23 -0.54 -1.58 -0.21 0.00 0.00 178.00 176.33 3hmq s HIS 16 N -5.10 -0.07 0.11 0.65 5.65 -1.26 -4.94 115.29 110.33 3hmq s HIS 16 Ca -0.06 0.17 0.04 0.00 0.25 0.00 0.00 55.06 55.45 3hmq s HIS 16 Cb 0.17 0.01 -0.04 0.00 -1.18 0.00 0.00 32.58 31.54 3hmq s HIS 16 CO 0.71 -0.15 -0.09 0.96 -0.65 0.00 0.00 174.74 175.51 3hmq s ILE 17 N -0.48 0.95 -0.41 0.89 -5.25 -1.26 -5.12 121.20 110.52 3hmq s ILE 17 Ca -0.06 -1.80 -0.15 0.00 -0.99 0.00 0.00 60.65 57.65 3hmq s ILE 17 Cb -0.04 -1.55 0.02 0.00 2.95 0.00 0.00 42.46 43.85 3hmq s ILE 17 CO 0.01 -0.67 0.32 0.21 -1.79 0.00 0.00 174.94 173.02 3hmq s ASN 18 N -2.75 6.12 0.18 4.36 3.84 -1.26 -5.00 114.94 120.44 3hmq s ASN 18 Ca 0.10 -0.86 -0.12 0.00 0.21 0.00 0.00 52.86 52.18 3hmq s ASN 18 Cb 0.00 -2.17 0.16 0.00 -0.55 0.00 0.00 41.25 38.70 3hmq s ASN 18 CO -0.01 -0.46 1.77 -0.65 -2.79 0.00 0.00 177.10 174.96 3hmq h PRO 19 N 8.64 0.44 -0.96 0.43 0.11 -1.96 -0.84 132.00 137.85 3hmq h PRO 19 Ca -0.27 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.83 3hmq h PRO 19 Cb 1.12 -0.10 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 3hmq h PRO 19 CO 0.74 0.29 0.64 0.93 -0.21 0.00 0.00 178.00 180.38 3hmq h GLU 20 N 0.45 1.26 -0.51 1.05 3.07 -1.94 -0.08 114.58 117.88 3hmq h GLU 20 Ca 0.24 -0.08 -0.04 0.00 -0.50 0.00 0.00 59.36 58.98 3hmq h GLU 20 Cb 0.20 -0.28 -0.02 0.00 -0.84 0.00 0.00 28.75 27.80 3hmq h GLU 20 CO -0.20 0.84 0.16 1.49 -1.40 0.00 0.00 179.01 179.90 3hmq h GLU 21 N 1.30 0.79 -0.21 2.33 4.81 -1.81 -2.27 114.58 119.53 3hmq h GLU 21 Ca 0.36 -0.17 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 3hmq h GLU 21 Cb -0.14 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 3hmq h GLU 21 CO -0.08 0.73 -0.50 0.93 -0.73 0.00 0.00 179.01 179.37 3hmq h GLU 22 N 0.70 0.57 -0.11 1.92 4.39 -0.68 -0.13 114.58 121.24 3hmq h GLU 22 Ca 0.17 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.54 3hmq h GLU 22 Cb 0.27 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 3hmq h GLU 22 CO -0.01 0.94 0.02 0.82 -1.16 0.00 0.00 179.01 179.63 3hmq h ILE 23 N 0.45 0.96 -0.51 3.13 2.04 -0.96 -1.93 117.51 120.68 3hmq h ILE 23 Ca 0.02 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3hmq h ILE 23 Cb 1.03 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 3hmq h ILE 23 CO 0.10 0.01 0.19 -0.09 0.00 0.00 0.00 178.15 178.35 3hmq h ARG 24 N 0.07 0.78 -0.49 2.37 9.65 -1.25 -1.37 114.38 124.14 3hmq h ARG 24 Ca 0.05 -0.15 0.04 0.00 -1.10 0.00 0.00 59.98 58.81 3hmq h ARG 24 Cb 0.04 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.46 3hmq h ARG 24 CO -0.06 0.71 0.25 -0.09 2.80 0.00 0.00 179.97 183.58 3hmq h ARG 25 N 0.69 0.49 -0.23 0.20 2.43 -0.86 0.44 114.38 117.53 3hmq h ARG 25 Ca 0.17 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3hmq h ARG 25 Cb 0.23 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3hmq h ARG 25 CO -0.01 0.32 0.07 0.77 -1.51 0.00 0.00 179.97 179.61 3hmq h SER 26 N 0.50 0.34 -0.24 -3.80 0.02 -1.21 -1.51 113.55 107.65 3hmq h SER 26 Ca 0.21 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3hmq h SER 26 Cb 0.11 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3hmq h SER 26 CO -0.14 0.45 0.10 0.58 -1.14 0.00 0.00 176.83 176.68 3hmq h VAL 27 N 0.21 1.16 -0.16 2.27 2.07 -1.02 -2.30 116.25 118.49 3hmq h VAL 27 Ca 0.08 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 3hmq h VAL 27 Cb 0.23 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 3hmq h VAL 27 CO -0.00 0.16 -0.20 0.44 0.02 0.00 0.00 177.57 177.99 3hmq h ASP 28 N 0.24 0.26 0.02 0.57 3.32 -0.93 -1.54 116.42 118.36 3hmq h ASP 28 Ca 0.08 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 3hmq h ASP 28 Cb 0.16 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3hmq h ASP 28 CO -0.01 0.47 -0.01 0.15 -1.72 0.00 0.00 179.24 178.12 3hmq h PHE 29 N 0.24 -0.03 -0.54 4.55 3.57 -1.08 -0.54 116.94 123.11 3hmq h PHE 29 Ca 0.04 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.56 3hmq h PHE 29 Cb 0.50 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3hmq h PHE 29 CO 0.01 0.10 0.33 -0.07 -2.23 0.00 0.00 178.31 176.45 3hmq h LEU 30 N -0.14 0.55 -0.39 0.59 3.38 -1.18 -1.35 115.31 116.77 3hmq h LEU 30 Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hmq h LEU 30 Cb 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3hmq h LEU 30 CO 0.00 0.39 0.13 0.11 0.09 0.00 0.00 178.44 179.17 3hmq h LYS 31 N 0.67 0.60 -0.51 1.13 1.57 -1.19 -2.24 116.57 116.59 3hmq h LYS 31 Ca 0.22 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3hmq h LYS 31 Cb 0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3hmq h LYS 31 CO -0.09 0.59 0.07 0.00 -0.57 0.00 0.00 179.45 179.45 3hmq h ALA 32 N 0.98 1.17 0.04 3.86 0.00 -0.91 -0.49 119.26 123.91 3hmq h ALA 32 Ca 0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3hmq h ALA 32 Cb 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3hmq h ALA 32 CO -0.01 0.55 -0.02 -0.92 0.00 0.00 0.00 179.25 178.86 3hmq h TYR 33 N 0.76 -0.05 -0.91 0.00 3.20 -1.12 -2.07 116.97 116.78 3hmq h TYR 33 Ca 0.16 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.09 3hmq h TYR 33 Cb 0.36 0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.59 3hmq h TYR 33 CO 0.02 0.16 0.58 -0.07 -1.64 0.00 0.00 178.16 177.21 3hmq h LEU 34 N -0.25 0.93 -1.47 2.82 3.38 -1.15 -1.79 115.31 117.78 3hmq h LEU 34 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3hmq h LEU 34 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hmq h LEU 34 CO 0.01 0.60 -0.13 0.11 0.09 0.00 0.00 178.44 179.12 3hmq h LYS 35 N 1.07 0.19 0.00 1.13 1.57 -0.97 -2.84 116.57 116.71 3hmq h LYS 35 Ca 0.39 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 59.00 3hmq h LYS 35 Cb 0.14 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3hmq h LYS 35 CO -0.16 0.33 -0.61 1.15 -0.57 0.00 0.00 179.45 179.58 3hmq h THR 36 N 0.18 1.42 -2.57 -0.16 2.02 -0.60 -3.34 112.91 109.86 3hmq h THR 36 Ca 0.04 -2.11 -0.61 0.00 0.77 0.00 0.00 66.41 64.50 3hmq h THR 36 Cb 0.34 2.15 -0.42 0.00 -1.74 0.00 0.00 68.15 68.48 3hmq h THR 36 CO 0.02 0.60 -0.64 -1.22 0.37 0.00 0.00 175.52 174.65 3hmq n TYR 37 N -3.78 2.93 0.23 3.16 4.01 -1.07 -4.99 117.16 117.65 3hmq n TYR 37 Ca -0.01 -4.13 0.03 0.00 -0.16 0.00 0.00 57.90 53.63 3hmq n TYR 37 Cb 0.62 -0.52 0.14 0.00 -0.31 0.00 0.00 39.34 39.26 3hmq n TYR 37 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3hmq n PRO 38 N 1.48 0.01 0.23 -0.72 -0.04 -1.21 -1.29 135.00 133.47 3hmq n PRO 38 Ca 0.25 0.37 0.15 0.00 -0.04 0.00 0.00 63.50 64.23 3hmq n PRO 38 Cb 0.40 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.87 3hmq n PRO 38 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3hmq h PHE 39 N 0.00 0.00 -3.35 0.54 -5.15 -1.94 -3.44 116.94 103.60 3hmq h PHE 39 Ca 0.00 0.00 -0.53 0.00 -0.20 0.00 0.00 57.97 57.24 3hmq h PHE 39 Cb 0.11 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.28 3hmq h PHE 39 CO 0.00 0.00 0.55 -0.51 -2.00 0.00 0.00 178.31 176.35 3hmq s LEU 40 N -5.77 4.42 0.00 2.10 1.43 -0.41 -4.86 118.68 115.59 3hmq s LEU 40 Ca 0.04 2.11 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 3hmq s LEU 40 Cb 0.08 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.71 3hmq s LEU 40 CO 0.55 -0.40 0.00 0.29 0.23 0.00 0.00 176.35 177.02 3hmq n LYS 41 N 3.19 4.26 -4.10 1.70 4.76 0.62 -5.01 118.16 123.58 3hmq n LYS 41 Ca 0.06 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.36 3hmq n LYS 41 Cb 0.46 -0.57 -0.12 0.00 -1.84 0.00 0.00 35.03 32.95 3hmq n LYS 41 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3hmq s SER 42 N -1.09 0.83 -0.18 4.39 0.01 -1.01 -1.08 113.70 115.55 3hmq s SER 42 Ca 0.00 -0.42 -0.05 0.00 1.31 0.00 0.00 55.95 56.79 3hmq s SER 42 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 66.02 66.21 3hmq s SER 42 CO 0.00 -0.12 -0.01 -0.76 0.41 0.00 0.00 173.24 172.76 3hmq s LEU 43 N -1.17 3.28 -0.12 2.44 1.43 -0.72 -1.62 118.68 122.21 3hmq s LEU 43 Ca -0.06 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3hmq s LEU 43 Cb -0.08 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3hmq s LEU 43 CO 0.00 0.10 -0.15 -0.69 0.23 0.00 0.00 176.35 175.85 3hmq s VAL 44 N 0.76 2.92 -0.14 -1.59 1.01 -0.20 -0.44 120.40 122.71 3hmq s VAL 44 Ca -0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 3hmq s VAL 44 Cb -0.14 -2.20 0.06 0.00 0.00 0.00 0.00 36.38 34.09 3hmq s VAL 44 CO 0.02 0.54 0.33 -0.22 0.00 0.00 0.00 175.10 175.77 3hmq s LEU 45 N 0.22 0.02 0.07 3.92 2.96 -0.51 -0.95 118.68 124.41 3hmq s LEU 45 Ca -0.09 0.73 -0.31 0.00 -0.22 0.00 0.00 54.13 54.24 3hmq s LEU 45 Cb -0.16 1.05 -0.07 0.00 0.50 0.00 0.00 46.19 47.52 3hmq s LEU 45 CO 0.06 -0.19 1.34 -0.83 -1.32 0.00 0.00 176.35 175.41 3hmq s GLY 46 N 1.57 2.05 -0.03 7.98 0.00 -1.26 -0.72 107.32 116.91 3hmq s GLY 46 Ca -0.08 0.99 0.07 0.00 0.00 0.00 0.00 44.72 45.70 3hmq s GLY 46 CO -0.11 2.31 -0.22 -0.26 0.00 0.00 0.00 173.10 174.82 3hmq s ILE 47 N 1.44 2.37 0.00 0.90 -4.36 -0.05 -4.86 121.20 116.64 3hmq s ILE 47 Ca 0.63 -0.99 0.00 0.00 -0.26 0.00 0.00 60.65 60.03 3hmq s ILE 47 Cb -0.33 -1.86 0.00 0.00 1.25 0.00 0.00 42.46 41.52 3hmq s ILE 47 CO 0.29 0.58 0.00 -1.54 0.24 0.00 0.00 174.94 174.51 3hmq n SER 48 N 2.42 0.67 0.00 4.36 3.41 -1.26 -4.39 113.62 118.83 3hmq n SER 48 Ca -0.16 -0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 3hmq n SER 48 Cb 0.51 0.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 3hmq n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hmq n GLY 49 N 0.90 0.57 3.88 5.00 0.00 -1.26 -4.09 105.19 110.19 3hmq n GLY 49 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3hmq n GLY 49 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hmq s GLY 50 N -1.22 1.63 0.14 -0.02 0.00 -1.26 -4.67 107.32 101.91 3hmq s GLY 50 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 44.72 44.12 3hmq s GLY 50 CO 0.00 0.01 1.60 -1.61 0.00 0.00 0.00 173.10 173.10 3hmq h GLN 51 N -0.55 -0.41 -0.28 2.90 4.15 -1.96 -1.92 115.11 117.04 3hmq h GLN 51 Ca -0.45 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 58.99 3hmq h GLN 51 Cb 1.24 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.01 3hmq h GLN 51 CO 0.63 -0.27 0.14 -0.44 -1.93 0.00 0.00 178.83 176.96 3hmq h ASP 52 N -0.42 0.35 0.52 -0.69 3.32 -1.94 -1.21 116.42 116.35 3hmq h ASP 52 Ca 0.09 -0.10 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 3hmq h ASP 52 Cb 0.57 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3hmq h ASP 52 CO -0.37 0.35 -0.61 0.77 -1.72 0.00 0.00 179.24 177.66 3hmq h SER 53 N 0.33 0.11 -0.38 6.45 4.64 -1.89 -1.21 113.55 121.59 3hmq h SER 53 Ca 0.10 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.33 3hmq h SER 53 Cb 0.09 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3hmq h SER 53 CO -0.01 0.69 0.13 0.74 -0.87 0.00 0.00 176.83 177.51 3hmq h THR 54 N 0.07 1.20 0.25 2.95 2.02 -1.08 0.23 112.91 118.55 3hmq h THR 54 Ca -0.01 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 3hmq h THR 54 Cb 1.10 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3hmq h THR 54 CO 0.09 0.23 -0.12 0.25 0.37 0.00 0.00 175.52 176.34 3hmq h LEU 55 N 0.47 -0.28 -1.54 2.58 5.85 -1.07 -1.77 115.31 119.54 3hmq h LEU 55 Ca 0.12 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 3hmq h LEU 55 Cb 0.23 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3hmq h LEU 55 CO -0.01 -0.04 0.21 0.00 -0.34 0.00 0.00 178.44 178.26 3hmq h ALA 56 N 0.18 1.66 -0.33 1.25 0.00 -1.24 -1.93 119.26 118.85 3hmq h ALA 56 Ca -0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3hmq h ALA 56 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3hmq h ALA 56 CO 0.06 0.29 -0.10 0.78 0.00 0.00 0.00 179.25 180.28 3hmq h GLY 57 N 0.59 0.71 0.93 0.00 0.00 -0.85 -1.16 103.07 103.29 3hmq h GLY 57 Ca 0.14 -0.60 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 3hmq h GLY 57 CO -0.02 0.55 0.13 1.70 0.00 0.00 0.00 176.54 178.89 3hmq h LYS 58 N 0.44 0.59 -0.67 4.80 1.63 -1.01 -1.17 116.57 121.18 3hmq h LYS 58 Ca 0.08 -0.12 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 3hmq h LYS 58 Cb 0.61 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.12 3hmq h LYS 58 CO 0.04 0.59 0.29 -0.07 -3.45 0.00 0.00 179.45 176.85 3hmq h LEU 59 N 0.47 0.89 -0.48 5.20 3.38 -1.37 -3.06 115.31 120.35 3hmq h LEU 59 Ca 0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hmq h LEU 59 Cb 0.24 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3hmq h LEU 59 CO -0.01 0.80 0.18 0.28 0.09 0.00 0.00 178.44 179.78 3hmq h SER 60 N 0.93 0.67 0.00 -0.43 0.02 -1.04 -1.48 113.55 112.22 3hmq h SER 60 Ca 0.23 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3hmq h SER 60 Cb 0.16 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.53 3hmq h SER 60 CO -0.02 0.67 0.00 1.67 -1.14 0.00 0.00 176.83 178.00 3hmq n GLN 61 N -4.56 0.28 0.00 3.45 -0.06 -0.46 -1.56 117.38 114.47 3hmq n GLN 61 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 3hmq n GLN 61 Cb 0.16 -1.33 0.00 0.00 -4.06 0.00 0.00 30.24 25.01 3hmq n GLN 61 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3hmq n ALA 63 N 0.79 0.00 -0.07 1.69 0.00 -0.56 -0.60 120.51 121.76 3hmq n ALA 63 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3hmq n ALA 63 Cb 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.55 3hmq n ALA 63 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hmq h ILE 64 N 0.00 1.14 -0.56 0.00 1.08 -1.57 -1.88 117.51 115.73 3hmq h ILE 64 Ca 0.00 -0.40 0.01 0.00 -0.39 0.00 0.00 64.86 64.08 3hmq h ILE 64 Cb 0.00 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 34.69 3hmq h ILE 64 CO 0.00 0.14 0.37 0.00 -0.69 0.00 0.00 178.15 177.97 3hmq h ALA 65 N 0.98 0.72 -0.09 1.87 0.00 -1.11 -0.52 119.26 121.11 3hmq h ALA 65 Ca 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hmq h ALA 65 Cb 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hmq h ALA 65 CO -0.01 0.14 0.02 0.93 0.00 0.00 0.00 179.25 180.33 3hmq h GLU 66 N 0.75 0.14 -0.60 0.00 5.08 -1.80 -2.31 114.58 115.85 3hmq h GLU 66 Ca 0.21 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.49 3hmq h GLU 66 Cb -0.07 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 3hmq h GLU 66 CO -0.05 0.33 0.20 1.25 -1.00 0.00 0.00 179.01 179.74 3hmq h LEU 67 N -0.07 0.82 -0.62 1.33 5.85 -1.17 -0.67 115.31 120.77 3hmq h LEU 67 Ca 0.03 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3hmq h LEU 67 Cb 0.25 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3hmq h LEU 67 CO 0.00 0.76 0.23 -0.09 -0.34 0.00 0.00 178.44 179.00 3hmq h ARG 68 N 0.87 0.94 -0.32 1.25 2.43 -1.08 -0.14 114.38 118.32 3hmq h ARG 68 Ca 0.20 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 3hmq h ARG 68 Cb 0.22 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 3hmq h ARG 68 CO -0.01 0.81 -0.25 1.49 -1.51 0.00 0.00 179.97 180.50 3hmq h GLU 69 N 0.88 0.74 -0.58 0.20 4.81 -0.97 0.70 114.58 120.36 3hmq h GLU 69 Ca 0.21 -0.36 -0.06 0.00 -0.13 0.00 0.00 59.36 59.01 3hmq h GLU 69 Cb 0.23 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3hmq h GLU 69 CO -0.01 0.98 0.13 0.93 -0.73 0.00 0.00 179.01 180.31 3hmq h GLU 70 N 0.50 0.93 0.00 1.92 5.08 -0.96 -3.29 114.58 118.77 3hmq h GLU 70 Ca 0.06 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3hmq h GLU 70 Cb 0.81 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hmq h GLU 70 CO 0.07 0.86 -1.39 0.25 -1.00 0.00 0.00 179.01 177.80 3hmq n THR 71 N -4.37 0.20 -1.10 1.13 -2.24 -0.08 -4.98 114.28 102.84 3hmq n THR 71 Ca 0.03 -0.40 -0.04 0.00 -2.27 0.00 0.00 64.05 61.37 3hmq n THR 71 Cb 0.24 0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 3hmq n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hmq n GLY 72 N 1.29 0.61 3.48 3.38 0.00 0.23 -4.97 105.19 109.21 3hmq n GLY 72 Ca -0.01 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 3hmq n GLY 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hmq s ASP 73 N -2.41 6.33 0.00 1.61 -1.08 -1.18 -4.88 116.67 115.06 3hmq s ASP 73 Ca 0.00 -1.24 0.18 0.00 -0.52 0.00 0.00 52.55 50.98 3hmq s ASP 73 Cb 0.00 -2.45 0.91 0.00 -1.46 0.00 0.00 42.92 39.91 3hmq s ASP 73 CO 0.00 -1.41 1.55 0.59 0.52 0.00 0.00 175.17 176.42 3hmq n ASN 74 N 7.81 0.00 0.22 -0.34 3.02 -1.26 -2.33 115.26 122.38 3hmq n ASN 74 Ca 0.09 0.06 0.11 0.00 -0.03 0.00 0.00 54.58 54.82 3hmq n ASN 74 Cb 0.48 -0.30 0.30 0.00 -0.61 0.00 0.00 39.78 39.64 3hmq n ASN 74 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hmq h ALA 75 N 2.84 0.95 -2.61 5.41 0.00 -1.94 -3.45 119.26 120.46 3hmq h ALA 75 Ca 0.00 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 54.29 3hmq h ALA 75 Cb 0.18 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.00 3hmq h ALA 75 CO 0.00 0.13 0.94 -0.51 0.00 0.00 0.00 179.25 179.81 3hmq s LEU 76 N -6.31 4.37 -0.01 0.00 1.43 -0.99 -4.78 118.68 112.39 3hmq s LEU 76 Ca 0.04 2.69 -0.04 0.00 -1.03 0.00 0.00 54.13 55.80 3hmq s LEU 76 Cb 0.07 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.70 3hmq s LEU 76 CO 0.65 -0.88 0.09 -1.10 0.23 0.00 0.00 176.35 175.34 3hmq s GLN 77 N 1.30 0.28 -0.21 1.70 -0.21 -0.24 -5.01 119.66 117.27 3hmq s GLN 77 Ca 0.72 -0.18 -0.08 0.00 0.02 0.00 0.00 55.36 55.85 3hmq s GLN 77 Cb -0.45 0.12 -0.04 0.00 1.00 0.00 0.00 33.01 33.64 3hmq s GLN 77 CO 0.32 -0.06 0.08 0.12 -2.12 0.00 0.00 175.29 173.63 3hmq s PHE 78 N -0.72 3.20 -0.30 0.91 5.36 -1.26 -1.75 117.98 123.42 3hmq s PHE 78 Ca -0.08 -0.05 -0.00 0.00 -0.96 0.00 0.00 56.93 55.84 3hmq s PHE 78 Cb -0.05 -2.15 0.06 0.00 -0.34 0.00 0.00 43.02 40.54 3hmq s PHE 78 CO 0.00 -0.01 -0.01 0.42 -1.46 0.00 0.00 175.22 174.16 3hmq s ILE 79 N 0.85 2.75 0.06 3.12 1.01 0.42 -2.71 121.20 126.70 3hmq s ILE 79 Ca 0.04 -1.55 -0.23 0.00 0.00 0.00 0.00 60.65 58.91 3hmq s ILE 79 Cb -0.14 -2.63 -0.06 0.00 0.01 0.00 0.00 42.46 39.64 3hmq s ILE 79 CO 0.02 -0.15 0.69 0.00 0.00 0.00 0.00 174.94 175.50 3hmq s ALA 80 N 1.18 3.45 -0.14 9.38 0.00 -0.45 -1.43 121.76 133.76 3hmq s ALA 80 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.11 3hmq s ALA 80 Cb -0.20 -2.86 0.02 0.00 0.00 0.00 0.00 23.12 20.08 3hmq s ALA 80 CO -0.03 0.19 -0.13 0.08 0.00 0.00 0.00 175.76 175.88 3hmq s VAL 81 N -0.50 1.47 -0.13 0.00 1.01 0.11 -0.96 120.40 121.41 3hmq s VAL 81 Ca 0.34 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 3hmq s VAL 81 Cb -0.20 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3hmq s VAL 81 CO 0.22 0.44 0.63 -0.13 0.00 0.00 0.00 175.10 176.26 3hmq s ARG 82 N 1.47 4.34 -0.55 2.72 0.52 0.10 -0.88 118.95 126.68 3hmq s ARG 82 Ca 0.04 0.70 0.06 0.00 -0.52 0.00 0.00 55.73 56.01 3hmq s ARG 82 Cb -0.13 -3.49 0.33 0.00 0.52 0.00 0.00 34.95 32.18 3hmq s ARG 82 CO -0.09 -0.03 0.87 1.28 0.02 0.00 0.00 175.30 177.35 3hmq n LEU 83 N 4.22 3.65 -4.77 2.53 4.77 -1.26 -0.71 117.00 125.44 3hmq n LEU 83 Ca -0.02 -5.51 -0.36 0.00 -0.03 0.00 0.00 56.01 50.08 3hmq n LEU 83 Cb 0.51 -0.32 0.01 0.00 -2.33 0.00 0.00 43.42 41.29 3hmq n LEU 83 CO 0.45 2.30 0.83 -2.16 -1.33 0.00 0.00 177.39 177.48 3hmq s PRO 84 N -3.10 3.38 -0.68 3.23 0.04 -1.24 -4.75 135.00 131.88 3hmq s PRO 84 Ca 0.46 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 63.10 3hmq s PRO 84 Cb 0.27 -2.15 0.13 0.00 0.04 0.00 0.00 34.50 32.79 3hmq s PRO 84 CO -0.11 -0.86 0.75 -0.47 0.04 0.00 0.00 177.00 176.35 3hmq s TYR 85 N -1.61 3.18 0.00 0.56 5.04 -1.26 -1.93 117.35 121.33 3hmq s TYR 85 Ca 0.71 -1.24 0.00 0.00 -2.44 0.00 0.00 57.07 54.10 3hmq s TYR 85 Cb -0.29 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.03 3hmq s TYR 85 CO 0.33 -1.24 0.00 0.41 -1.34 0.00 0.00 175.55 173.71 3hmq n GLY 86 N 5.07 -0.07 3.58 8.97 0.00 -1.26 -4.64 105.19 116.83 3hmq n GLY 86 Ca -0.01 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.89 3hmq n GLY 86 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hmq s VAL 87 N -2.65 3.99 -0.77 1.61 1.01 -1.26 -4.80 120.40 117.54 3hmq s VAL 87 Ca 0.00 -1.60 0.02 0.00 0.00 0.00 0.00 61.98 60.40 3hmq s VAL 87 Cb 0.00 -5.06 0.34 0.00 0.00 0.00 0.00 36.38 31.65 3hmq s VAL 87 CO 0.00 -1.83 1.35 0.00 0.00 0.00 0.00 175.10 174.62 3hmq n GLN 88 N 8.44 4.14 0.00 2.72 -0.00 -1.26 -5.08 117.38 126.35 3hmq n GLN 88 Ca 0.46 -4.73 0.00 0.00 -0.00 0.00 0.00 57.00 52.74 3hmq n GLN 88 Cb 0.47 -2.34 0.00 0.00 -0.00 0.00 0.00 30.24 28.37 3hmq n GLN 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hmq n ALA 89 N -0.19 0.00 -3.28 2.61 0.00 -1.26 -4.81 120.51 113.57 3hmq n ALA 89 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 3hmq n ALA 89 Cb 0.34 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.63 3hmq n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hmq s ASP 90 N -4.00 3.28 -0.20 0.00 -1.08 -1.26 -5.13 116.67 108.28 3hmq s ASP 90 Ca 0.00 -0.52 -0.10 0.00 -0.52 0.00 0.00 52.55 51.41 3hmq s ASP 90 Cb 0.00 -1.46 -0.05 0.00 -1.46 0.00 0.00 42.92 39.95 3hmq s ASP 90 CO 0.00 0.14 0.12 -0.70 0.52 0.00 0.00 175.17 175.25 3hmq s GLU 91 N 0.45 4.13 0.28 4.34 2.12 -1.26 -5.00 118.70 123.77 3hmq s GLU 91 Ca -0.15 -0.25 -0.01 0.00 0.36 0.00 0.00 54.97 54.92 3hmq s GLU 91 Cb -0.17 -3.39 0.41 0.00 0.26 0.00 0.00 34.13 31.24 3hmq s GLU 91 CO 0.06 0.27 1.82 0.37 -0.54 0.00 0.00 175.26 177.24 3hmq h GLN 92 N 6.76 0.78 -0.77 4.30 5.75 -1.99 -2.17 115.11 127.79 3hmq h GLN 92 Ca -0.40 -0.17 -0.03 0.00 -0.15 0.00 0.00 58.65 57.90 3hmq h GLN 92 Cb 1.16 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 29.56 3hmq h GLN 92 CO 0.74 0.73 0.36 -0.44 -2.65 0.00 0.00 178.83 177.58 3hmq h ASP 93 N 0.75 1.01 -0.45 -0.69 3.32 -1.91 0.11 116.42 118.56 3hmq h ASP 93 Ca 0.16 -0.14 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 3hmq h ASP 93 Cb 0.33 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3hmq h ASP 93 CO 0.00 0.86 0.01 0.00 -1.72 0.00 0.00 179.24 178.39 3hmq h GLN 95 N 0.63 1.20 -0.39 0.00 1.08 -1.00 -1.15 115.11 115.48 3hmq h GLN 95 Ca 0.13 -0.22 -0.10 0.00 -1.45 0.00 0.00 58.65 57.01 3hmq h GLN 95 Cb 0.49 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.71 3hmq h GLN 95 CO 0.02 0.97 -0.17 -0.44 -0.95 0.00 0.00 178.83 178.26 3hmq h ASP 96 N 1.17 0.74 -0.49 1.46 3.32 -0.62 -1.50 116.42 120.49 3hmq h ASP 96 Ca 0.27 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3hmq h ASP 96 Cb 0.22 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3hmq h ASP 96 CO -0.02 0.91 0.08 0.00 -1.72 0.00 0.00 179.24 178.49 3hmq h ALA 97 N 1.15 0.65 -0.62 3.45 0.00 -0.77 -2.01 119.26 121.10 3hmq h ALA 97 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hmq h ALA 97 Cb 0.66 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hmq h ALA 97 CO 0.05 0.38 0.41 0.82 0.00 0.00 0.00 179.25 180.91 3hmq h ILE 98 N 0.68 1.16 -0.54 0.00 2.04 -1.04 -0.89 117.51 118.94 3hmq h ILE 98 Ca 0.15 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3hmq h ILE 98 Cb 0.40 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3hmq h ILE 98 CO 0.01 0.16 0.32 0.00 0.00 0.00 0.00 178.15 178.64 3hmq h ALA 99 N 1.22 1.55 -0.04 1.87 0.00 -1.07 0.32 119.26 123.11 3hmq h ALA 99 Ca 0.23 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 3hmq h ALA 99 Cb -0.08 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.50 3hmq h ALA 99 CO -0.05 0.39 -0.72 0.35 0.00 0.00 0.00 179.25 179.22 3hmq h PHE 100 N 0.74 0.81 -0.05 0.00 3.57 -0.99 -3.32 116.94 117.69 3hmq h PHE 100 Ca 0.19 -0.41 -0.21 0.00 3.53 0.00 0.00 57.97 61.07 3hmq h PHE 100 Cb -0.02 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.62 3hmq h PHE 100 CO 0.00 1.23 -0.85 0.82 -2.23 0.00 0.00 178.31 177.28 3hmq h ILE 101 N 0.16 1.36 -5.94 1.41 2.04 -1.01 -3.49 117.51 112.05 3hmq h ILE 101 Ca -0.08 -2.25 -0.37 0.00 1.00 0.00 0.00 64.86 63.16 3hmq h ILE 101 Cb 1.40 2.24 0.12 0.00 -0.74 0.00 0.00 36.82 39.84 3hmq h ILE 101 CO 0.14 0.68 -0.90 0.00 0.00 0.00 0.00 178.15 178.08 3hmq n GLN 102 N -3.81 -2.05 -2.16 2.37 1.13 0.09 -4.93 117.38 108.01 3hmq n GLN 102 Ca -0.06 0.62 -0.36 0.00 -1.94 0.00 0.00 57.00 55.25 3hmq n GLN 102 Cb 0.78 -4.84 0.01 0.00 0.11 0.00 0.00 30.24 26.30 3hmq n GLN 102 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3hmq s PRO 103 N -5.44 3.43 0.27 -1.09 0.04 -1.26 -4.92 135.00 126.03 3hmq s PRO 103 Ca 0.41 1.79 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 3hmq s PRO 103 Cb -0.11 -2.19 0.37 0.00 0.04 0.00 0.00 34.50 32.62 3hmq s PRO 103 CO 0.81 -0.83 1.93 -0.44 0.04 0.00 0.00 177.00 178.52 3hmq h ASP 104 N 1.52 1.05 -3.87 6.66 3.32 -1.91 -3.44 116.42 119.75 3hmq h ASP 104 Ca -0.50 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.37 3hmq h ASP 104 Cb 1.27 -0.25 -0.26 0.00 0.22 0.00 0.00 39.33 40.31 3hmq h ASP 104 CO 0.58 0.73 -0.45 -0.60 -1.72 0.00 0.00 179.24 177.79 3hmq s ARG 105 N -6.02 0.28 -0.11 3.56 3.52 -1.10 -5.01 118.95 114.07 3hmq s ARG 105 Ca -0.12 0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 3hmq s ARG 105 Cb 0.19 0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.73 3hmq s ARG 105 CO 0.81 -0.04 -0.14 0.08 -0.81 0.00 0.00 175.30 175.20 3hmq s VAL 106 N 0.06 1.43 0.04 7.11 1.01 -1.26 -1.35 120.40 127.44 3hmq s VAL 106 Ca -0.01 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3hmq s VAL 106 Cb -0.02 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 3hmq s VAL 106 CO 0.00 0.43 -0.12 -0.76 0.00 0.00 0.00 175.10 174.66 3hmq s LEU 107 N 1.15 2.93 -0.17 3.92 1.43 -0.13 -4.99 118.68 122.81 3hmq s LEU 107 Ca -0.03 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3hmq s LEU 107 Cb -0.14 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.39 3hmq s LEU 107 CO -0.04 0.25 -0.14 -0.89 0.23 0.00 0.00 176.35 175.76 3hmq s THR 108 N -1.02 1.70 -0.20 5.49 2.01 -1.26 0.03 115.64 122.39 3hmq s THR 108 Ca 0.17 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.34 3hmq s THR 108 Cb -0.11 -1.65 0.04 0.00 0.01 0.00 0.00 72.50 70.80 3hmq s THR 108 CO 0.08 0.36 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 3hmq s VAL 109 N 1.41 1.68 -0.47 3.82 1.01 0.12 -4.96 120.40 123.01 3hmq s VAL 109 Ca 0.02 -1.05 -0.27 0.00 0.00 0.00 0.00 61.98 60.69 3hmq s VAL 109 Cb -0.14 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.51 3hmq s VAL 109 CO -0.10 0.16 1.03 0.21 0.00 0.00 0.00 175.10 176.40 3hmq s ASN 110 N 1.37 6.56 0.00 3.32 3.84 -1.26 -3.65 114.94 125.12 3hmq s ASN 110 Ca -0.02 0.27 0.29 0.00 0.21 0.00 0.00 52.86 53.62 3hmq s ASN 110 Cb -0.16 -2.50 1.36 0.00 -0.55 0.00 0.00 41.25 39.40 3hmq s ASN 110 CO -0.08 -1.15 1.94 2.30 -2.79 0.00 0.00 177.10 177.32 3hmq n ILE 111 N 6.63 0.00 -0.17 -5.21 -5.35 -0.81 -4.33 119.36 110.11 3hmq n ILE 111 Ca 0.09 -0.04 -0.08 0.00 -0.27 0.00 0.00 62.75 62.45 3hmq n ILE 111 Cb 0.49 -0.25 0.01 0.00 -1.74 0.00 0.00 39.64 38.15 3hmq n ILE 111 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3hmq h LYS 112 N 0.35 0.69 -0.59 6.28 3.64 -1.91 -2.55 116.57 122.48 3hmq h LYS 112 Ca 0.00 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3hmq h LYS 112 Cb 0.32 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.96 3hmq h LYS 112 CO 0.00 0.58 0.30 0.78 -2.27 0.00 0.00 179.45 178.84 3hmq h GLY 113 N 0.63 0.85 1.04 5.01 0.00 -1.98 -0.75 103.07 107.87 3hmq h GLY 113 Ca 0.17 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.19 3hmq h GLY 113 CO -0.02 0.10 -0.13 0.00 0.00 0.00 0.00 176.54 176.49 3hmq h ALA 114 N 1.33 0.63 -0.50 3.60 0.00 -1.82 -1.23 119.26 121.27 3hmq h ALA 114 Ca 0.27 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3hmq h ALA 114 Cb 0.21 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hmq h ALA 114 CO -0.20 0.54 0.20 0.28 0.00 0.00 0.00 179.25 180.07 3hmq h VAL 115 N 0.73 1.21 -0.36 0.00 2.07 -1.10 -0.21 116.25 118.59 3hmq h VAL 115 Ca 0.11 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.90 3hmq h VAL 115 Cb 0.68 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3hmq h VAL 115 CO 0.05 0.25 -0.04 -0.07 0.02 0.00 0.00 177.57 177.77 3hmq h LEU 116 N 0.66 0.55 -0.37 2.57 3.38 -1.08 -1.92 115.31 119.11 3hmq h LEU 116 Ca 0.17 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3hmq h LEU 116 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hmq h LEU 116 CO -0.01 0.65 -0.15 0.00 0.09 0.00 0.00 178.44 179.03 3hmq h ALA 117 N 1.41 0.52 -0.53 1.53 0.00 -0.87 -1.62 119.26 119.70 3hmq h ALA 117 Ca 0.11 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.72 3hmq h ALA 117 Cb 0.42 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3hmq h ALA 117 CO 0.02 0.43 0.30 0.77 0.00 0.00 0.00 179.25 180.76 3hmq h SER 118 N 0.55 0.46 -0.21 0.00 0.02 -0.69 -2.25 113.55 111.43 3hmq h SER 118 Ca 0.09 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3hmq h SER 118 Cb 0.68 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3hmq h SER 118 CO 0.05 0.32 -0.14 -0.33 -1.14 0.00 0.00 176.83 175.59 3hmq h GLU 119 N 0.58 0.61 -0.56 3.45 5.08 -1.15 -2.20 114.58 120.39 3hmq h GLU 119 Ca 0.22 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 3hmq h GLU 119 Cb 0.08 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3hmq h GLU 119 CO -0.13 0.73 0.02 0.37 -1.00 0.00 0.00 179.01 179.00 3hmq h GLN 120 N 0.56 0.95 -0.64 2.33 5.75 -1.06 0.15 115.11 123.14 3hmq h GLN 120 Ca 0.10 -0.27 -0.09 0.00 -0.15 0.00 0.00 58.65 58.23 3hmq h GLN 120 Cb 0.56 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.98 3hmq h GLN 120 CO 0.04 0.93 0.05 0.00 -2.65 0.00 0.00 178.83 177.20 3hmq h ALA 121 N 1.13 0.87 -0.44 3.38 0.00 -1.14 -1.40 119.26 121.66 3hmq h ALA 121 Ca 0.17 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3hmq h ALA 121 Cb 0.49 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hmq h ALA 121 CO 0.02 0.67 -0.07 -0.07 0.00 0.00 0.00 179.25 179.81 3hmq h LEU 122 N 1.02 0.82 -0.80 0.00 3.38 -1.16 -2.71 115.31 115.87 3hmq h LEU 122 Ca 0.19 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3hmq h LEU 122 Cb 0.51 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 3hmq h LEU 122 CO 0.02 0.97 0.49 -0.09 0.09 0.00 0.00 178.44 179.93 3hmq h ARG 123 N 0.65 0.91 0.00 1.13 2.43 -0.37 0.01 114.38 119.14 3hmq h ARG 123 Ca 0.12 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3hmq h ARG 123 Cb 0.59 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3hmq h ARG 123 CO 0.04 0.60 -0.20 0.93 -1.51 0.00 0.00 179.97 179.83 3hmq h GLU 124 N 0.93 0.00 -0.00 0.20 5.08 -1.15 -1.01 114.58 118.63 3hmq h GLU 124 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3hmq h GLU 124 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3hmq h GLU 124 CO -0.15 0.20 -0.03 0.00 -1.00 0.00 0.00 179.01 178.03 3hmq n ALA 125 N -2.43 2.61 -0.20 3.43 0.00 -0.59 -4.91 120.51 118.41 3hmq n ALA 125 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3hmq n ALA 125 Cb 0.27 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3hmq n ALA 125 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hmq n GLY 126 N 1.23 0.89 3.21 0.00 0.00 -0.38 -5.08 105.19 105.06 3hmq n GLY 126 Ca 0.16 -0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3hmq n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hmq s ILE 127 N -2.00 2.91 -0.28 -0.61 -1.09 -0.11 -4.99 121.20 115.03 3hmq s ILE 127 Ca 0.00 -0.99 -0.13 0.00 -2.23 0.00 0.00 60.65 57.30 3hmq s ILE 127 Cb 0.00 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.38 3hmq s ILE 127 CO 0.00 0.22 0.28 -1.61 -1.23 0.00 0.00 174.94 172.60 3hmq s GLU 128 N 1.34 3.93 0.32 2.79 0.41 -1.26 -2.45 118.70 123.77 3hmq s GLU 128 Ca 0.01 -0.19 -0.24 0.00 -0.41 0.00 0.00 54.97 54.14 3hmq s GLU 128 Cb -0.16 -3.68 -0.10 0.00 -1.78 0.00 0.00 34.13 28.41 3hmq s GLU 128 CO -0.04 -0.26 0.90 -0.51 -0.49 0.00 0.00 175.26 174.86 3hmq s LEU 129 N 1.91 4.29 0.61 1.80 1.43 -1.26 -5.06 118.68 122.40 3hmq s LEU 129 Ca 0.11 1.74 -0.10 0.00 -1.03 0.00 0.00 54.13 54.84 3hmq s LEU 129 Cb -0.16 -3.99 -0.03 0.00 0.03 0.00 0.00 46.19 42.04 3hmq s LEU 129 CO 0.11 -0.08 1.00 -0.94 0.23 0.00 0.00 176.35 176.66 3hmq s SER 130 N -1.69 6.10 0.29 2.29 1.04 -1.26 -4.90 113.70 115.57 3hmq s SER 130 Ca 0.50 1.28 0.02 0.00 0.48 0.00 0.00 55.95 58.24 3hmq s SER 130 Cb -0.17 -2.33 0.58 0.00 0.10 0.00 0.00 66.02 64.20 3hmq s SER 130 CO 0.22 -0.90 1.85 0.44 0.98 0.00 0.00 173.24 175.82 3hmq h ASP 131 N -0.29 0.90 0.21 7.02 3.32 -1.99 -0.73 116.42 124.86 3hmq h ASP 131 Ca -0.45 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3hmq h ASP 131 Cb 1.20 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3hmq h ASP 131 CO 0.62 0.48 -0.10 0.15 -1.72 0.00 0.00 179.24 178.67 3hmq h PHE 132 N 0.97 -0.26 -0.23 4.55 3.57 -2.01 -2.13 116.94 121.39 3hmq h PHE 132 Ca 0.48 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.92 3hmq h PHE 132 Cb 0.49 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3hmq h PHE 132 CO -0.00 -0.12 -0.11 0.28 -2.23 0.00 0.00 178.31 176.13 3hmq h VAL 133 N -0.33 1.20 -0.34 1.41 2.07 -1.86 -2.53 116.25 115.86 3hmq h VAL 133 Ca -0.03 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 3hmq h VAL 133 Cb 0.25 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3hmq h VAL 133 CO 0.05 0.28 0.07 -0.09 0.02 0.00 0.00 177.57 177.90 3hmq h ARG 134 N 0.36 0.50 -0.97 1.57 2.43 -0.86 -1.44 114.38 115.97 3hmq h ARG 134 Ca 0.07 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 3hmq h ARG 134 Cb 0.41 -0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.82 3hmq h ARG 134 CO 0.02 0.48 0.64 0.78 -1.51 0.00 0.00 179.97 180.38 3hmq h GLY 135 N 0.74 1.40 1.54 2.80 0.00 -0.94 -0.62 103.07 107.99 3hmq h GLY 135 Ca 0.12 -0.49 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 3hmq h GLY 135 CO -0.00 0.45 -0.52 3.43 0.00 0.00 0.00 176.54 179.89 3hmq h ASN 136 N 1.27 0.54 -0.63 0.19 2.35 -1.36 -2.54 115.58 115.40 3hmq h ASN 136 Ca 0.38 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3hmq h ASN 136 Cb -0.06 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 3hmq h ASN 136 CO -0.11 0.97 0.37 -0.08 -1.65 0.00 0.00 177.43 176.93 3hmq h GLU 137 N 0.38 0.87 -0.60 0.81 4.57 -0.81 -1.29 114.58 118.51 3hmq h GLU 137 Ca 0.01 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.12 3hmq h GLU 137 Cb 1.05 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.42 3hmq h GLU 137 CO 0.10 0.64 0.39 0.87 -1.18 0.00 0.00 179.01 179.82 3hmq h LYS 138 N 0.86 0.75 -0.53 1.92 1.57 -0.98 -0.45 116.57 119.71 3hmq h LYS 138 Ca 0.23 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3hmq h LYS 138 Cb 0.00 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 3hmq h LYS 138 CO -0.04 0.50 0.21 0.00 -0.57 0.00 0.00 179.45 179.55 3hmq h ALA 139 N 1.24 1.37 -0.05 3.86 0.00 -1.09 -1.32 119.26 123.26 3hmq h ALA 139 Ca 0.23 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.85 3hmq h ALA 139 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3hmq h ALA 139 CO -0.07 0.48 -0.64 0.00 0.00 0.00 0.00 179.25 179.01 3hmq h ARG 140 N 0.76 0.21 -0.30 0.00 3.08 -0.82 -3.02 114.38 114.29 3hmq h ARG 140 Ca 0.18 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 59.95 3hmq h ARG 140 Cb 0.16 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3hmq h ARG 140 CO -0.02 0.78 -0.34 1.49 -1.07 0.00 0.00 179.97 180.81 3hmq h GLU 141 N 0.15 0.65 -1.46 0.04 4.57 -0.54 -1.32 114.58 116.68 3hmq h GLU 141 Ca -0.01 -0.30 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 3hmq h GLU 141 Cb 1.15 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3hmq h GLU 141 CO 0.10 0.90 0.00 0.54 -1.18 0.00 0.00 179.01 179.37 3hmq n ARG 142 N -4.06 0.20 0.00 1.92 1.74 -0.55 -1.42 116.66 114.49 3hmq n ARG 142 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3hmq n ARG 142 Cb 0.49 -1.33 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 3hmq n ARG 142 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hmq n LYS 144 N 0.79 0.00 -0.11 5.56 5.02 -0.50 -2.29 118.16 126.63 3hmq n LYS 144 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 3hmq n LYS 144 Cb 0.09 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.11 3hmq n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hmq h ALA 145 N 0.00 0.46 -0.75 7.82 0.00 -1.52 -0.25 119.26 125.01 3hmq h ALA 145 Ca 0.00 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3hmq h ALA 145 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3hmq h ALA 145 CO 0.00 -0.17 0.36 1.96 0.00 0.00 0.00 179.25 181.41 3hmq h GLN 146 N 0.40 1.07 -0.41 0.00 4.20 -1.73 -1.54 115.11 117.09 3hmq h GLN 146 Ca 0.15 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3hmq h GLN 146 Cb 0.04 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3hmq h GLN 146 CO -0.09 0.83 -0.09 1.88 -0.67 0.00 0.00 178.83 180.68 3hmq h TYR 147 N 1.04 0.78 -0.41 2.96 0.05 -1.76 -0.13 116.97 119.51 3hmq h TYR 147 Ca 0.26 -0.13 -0.08 0.00 0.05 0.00 0.00 58.73 58.83 3hmq h TYR 147 Cb 0.11 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 3hmq h TYR 147 CO 0.01 0.79 -0.04 0.77 -1.05 0.00 0.00 178.16 178.64 3hmq h SER 148 N 0.66 0.75 -0.21 3.88 0.02 -0.83 -0.20 113.55 117.62 3hmq h SER 148 Ca 0.12 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 3hmq h SER 148 Cb 0.55 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3hmq h SER 148 CO 0.03 0.90 0.09 0.40 -1.14 0.00 0.00 176.83 177.11 3hmq h ILE 149 N 0.58 1.15 -0.73 3.27 2.04 -1.14 -2.77 117.51 119.90 3hmq h ILE 149 Ca 0.11 -0.43 0.09 0.00 1.00 0.00 0.00 64.86 65.63 3hmq h ILE 149 Cb 0.54 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.60 3hmq h ILE 149 CO 0.03 0.14 0.39 0.00 0.00 0.00 0.00 178.15 178.71 3hmq h ALA 150 N 0.95 1.01 0.00 1.87 0.00 -0.92 -2.29 119.26 119.88 3hmq h ALA 150 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hmq h ALA 150 Cb 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hmq h ALA 150 CO -0.01 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 3hmq n GLY 151 N -1.30 0.02 0.00 0.00 0.00 -0.10 -1.02 105.19 102.79 3hmq n GLY 151 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3hmq n GLY 151 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hmq n THR 153 N 0.75 0.00 -3.94 2.61 -2.24 -0.86 -4.92 114.28 105.68 3hmq n THR 153 Ca 0.00 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 3hmq n THR 153 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3hmq n THR 153 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3hmq n HIS 154 N 0.00 -1.91 -3.67 4.78 8.25 -0.97 -3.86 115.22 117.84 3hmq n HIS 154 Ca 0.00 0.82 -0.21 0.00 -0.26 0.00 0.00 57.72 58.08 3hmq n HIS 154 Cb 0.00 -3.81 -0.03 0.00 1.12 0.00 0.00 29.99 27.27 3hmq n HIS 154 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3hmq s GLY 155 N -3.87 1.89 0.10 -1.41 0.00 -0.19 -0.27 107.32 103.57 3hmq s GLY 155 Ca 0.33 -1.71 0.09 0.00 0.00 0.00 0.00 44.72 43.42 3hmq s GLY 155 CO 0.86 -1.60 -0.22 -1.34 0.00 0.00 0.00 173.10 170.80 3hmq s VAL 156 N -2.35 1.85 -0.26 1.40 -7.23 -0.64 -4.70 120.40 108.47 3hmq s VAL 156 Ca 0.44 -1.57 -0.17 0.00 -1.81 0.00 0.00 61.98 58.87 3hmq s VAL 156 Cb -0.05 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 3hmq s VAL 156 CO 0.28 0.00 0.49 -0.69 -0.31 0.00 0.00 175.10 174.87 3hmq s VAL 157 N -1.11 5.09 0.07 1.32 1.01 -1.26 -1.04 120.40 124.48 3hmq s VAL 157 Ca 0.08 0.84 -0.26 0.00 0.00 0.00 0.00 61.98 62.64 3hmq s VAL 157 Cb -0.10 -3.81 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 3hmq s VAL 157 CO 0.04 0.10 0.82 -0.69 0.00 0.00 0.00 175.10 175.38 3hmq s VAL 158 N 2.22 4.65 0.12 2.92 1.01 -0.13 -1.03 120.40 130.16 3hmq s VAL 158 Ca 0.20 1.76 0.04 0.00 0.00 0.00 0.00 61.98 63.98 3hmq s VAL 158 Cb -0.16 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 3hmq s VAL 158 CO 0.09 0.35 0.12 -0.83 0.00 0.00 0.00 175.10 174.84 3hmq s GLY 159 N -0.07 1.88 0.00 4.51 0.00 -0.15 -4.75 107.32 108.74 3hmq s GLY 159 Ca 0.41 -1.09 0.23 0.00 0.00 0.00 0.00 44.72 44.27 3hmq s GLY 159 CO 0.25 -1.08 1.42 -1.30 0.00 0.00 0.00 173.10 172.38 3hmq n THR 160 N 0.06 0.39 -1.74 0.90 -2.24 -1.26 -4.14 114.28 106.25 3hmq n THR 160 Ca -0.08 -0.64 -0.40 0.00 -2.27 0.00 0.00 64.05 60.65 3hmq n THR 160 Cb 0.53 0.94 0.02 0.00 -2.10 0.00 0.00 70.33 69.71 3hmq n THR 160 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hmq n ASP 161 N 1.27 3.04 -3.75 3.42 2.03 -1.26 -4.85 116.55 116.45 3hmq n ASP 161 Ca 0.18 1.10 -0.11 0.00 0.52 0.00 0.00 54.79 56.48 3hmq n ASP 161 Cb 0.56 -1.57 -0.05 0.00 -0.72 0.00 0.00 41.12 39.33 3hmq n ASP 161 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 3hmq s HIS 162 N -1.20 0.72 0.25 -0.67 -3.43 -1.26 -2.34 115.29 107.35 3hmq s HIS 162 Ca 0.62 -1.02 -0.05 0.00 -0.80 0.00 0.00 55.06 53.81 3hmq s HIS 162 Cb -0.46 -0.00 0.35 0.00 -1.43 0.00 0.00 32.58 31.03 3hmq s HIS 162 CO 0.57 -1.00 1.86 0.00 -2.00 0.00 0.00 174.74 174.17 3hmq h ALA 163 N 2.25 1.22 0.00 -1.38 0.00 -1.31 -0.41 119.26 119.64 3hmq h ALA 163 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hmq h ALA 163 Cb 1.25 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hmq h ALA 163 CO 0.39 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.96 3hmq h ALA 164 N 1.41 1.00 0.04 0.00 0.00 -1.89 -1.42 119.26 118.40 3hmq h ALA 164 Ca 0.39 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.93 3hmq h ALA 164 Cb 0.16 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3hmq h ALA 164 CO -0.17 0.00 -2.14 -1.91 0.00 0.00 0.00 179.25 175.03 3hmq n GLU 165 N -2.49 0.67 0.03 0.00 2.13 -0.90 -4.59 120.64 115.49 3hmq n GLU 165 Ca 0.02 0.27 -0.04 0.00 0.66 0.00 0.00 57.16 58.07 3hmq n GLU 165 Cb 0.28 -1.62 0.18 0.00 0.27 0.00 0.00 31.44 30.55 3hmq n GLU 165 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hmq h ALA 166 N -0.21 1.03 -0.94 4.31 0.00 -0.97 -2.79 119.26 119.69 3hmq h ALA 166 Ca -0.51 -0.39 0.13 0.00 0.00 0.00 0.00 54.91 54.13 3hmq h ALA 166 Cb 1.81 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 19.42 3hmq h ALA 166 CO -0.10 0.59 0.60 0.97 0.00 0.00 0.00 179.25 181.31 3hmq h ILE 167 N 0.37 0.89 -0.01 0.00 2.10 -1.51 -1.72 117.51 117.63 3hmq h ILE 167 Ca 0.04 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.69 3hmq h ILE 167 Cb 0.78 -0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.47 3hmq h ILE 167 CO 0.06 0.16 -0.47 0.35 -1.08 0.00 0.00 178.15 177.17 3hmq n THR 168 N -4.58 0.00 -2.26 2.19 -2.24 -1.23 -3.22 114.28 102.94 3hmq n THR 168 Ca 0.18 -0.18 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 3hmq n THR 168 Cb 0.39 0.94 -0.00 0.00 -2.10 0.00 0.00 70.33 69.56 3hmq n THR 168 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hmq n GLY 169 N 1.41 -0.13 2.56 3.38 0.00 -0.65 -4.59 105.19 107.17 3hmq n GLY 169 Ca 0.09 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 3hmq n GLY 169 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hmq n PHE 170 N -4.01 2.77 -3.69 1.61 3.01 -1.06 -4.77 117.46 111.32 3hmq n PHE 170 Ca -0.14 -2.91 -0.10 0.00 1.01 0.00 0.00 57.45 55.31 3hmq n PHE 170 Cb 0.61 -2.15 -0.04 0.00 -0.01 0.00 0.00 39.48 37.89 3hmq n PHE 170 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 3hmq s PHE 171 N 0.74 -0.15 -0.12 1.38 -0.12 -1.26 -4.92 117.98 113.52 3hmq s PHE 171 Ca 0.54 -0.18 -0.20 0.00 -0.05 0.00 0.00 56.93 57.04 3hmq s PHE 171 Cb 0.16 0.32 -0.04 0.00 -0.63 0.00 0.00 43.02 42.83 3hmq s PHE 171 CO -0.06 -0.81 0.57 0.99 -0.05 0.00 0.00 175.22 175.86 3hmq s THR 172 N -3.84 5.11 -0.00 -4.49 2.01 -1.26 -4.94 115.64 108.22 3hmq s THR 172 Ca 0.07 1.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.90 3hmq s THR 172 Cb 0.00 -3.91 -0.07 0.00 0.01 0.00 0.00 72.50 68.54 3hmq s THR 172 CO -0.07 0.25 1.82 -0.75 -0.69 0.00 0.00 174.62 175.18 3hmq s LYS 173 N 0.99 4.16 -1.73 4.92 2.20 -1.26 -1.13 119.74 127.88 3hmq s LYS 173 Ca 0.30 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.32 3hmq s LYS 173 Cb -0.16 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.09 3hmq s LYS 173 CO 0.12 -0.90 0.00 0.66 -0.36 0.00 0.00 175.35 174.87 3hmq n TYR 174 N 7.31 0.00 0.00 4.03 4.01 -1.26 -4.92 117.16 126.34 3hmq n TYR 174 Ca 0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.93 3hmq n TYR 174 Cb 0.42 -2.96 0.00 0.00 -0.31 0.00 0.00 39.34 36.49 3hmq n TYR 174 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hmq n GLY 175 N -0.61 0.65 0.02 2.72 0.00 -0.28 -4.43 105.19 103.25 3hmq n GLY 175 Ca -0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.94 3hmq n GLY 175 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hmq n ASP 176 N 0.00 0.11 0.21 1.61 5.75 -1.21 -1.48 116.55 121.54 3hmq n ASP 176 Ca 0.00 0.53 0.13 0.00 -0.01 0.00 0.00 54.79 55.43 3hmq n ASP 176 Cb 0.00 -0.55 0.25 0.00 -1.03 0.00 0.00 41.12 39.79 3hmq n ASP 176 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3hmq h GLY 177 N 2.57 0.00 -7.39 6.12 0.00 -1.74 -3.43 103.07 99.20 3hmq h GLY 177 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.68 3hmq h GLY 177 CO 0.00 0.00 1.47 -0.32 0.00 0.00 0.00 176.54 177.69 3hmq s GLY 178 N -4.12 1.59 0.25 4.60 0.00 -0.55 -4.72 107.32 104.37 3hmq s GLY 178 Ca 0.07 -2.60 0.01 0.00 0.00 0.00 0.00 44.72 42.20 3hmq s GLY 178 CO 0.64 2.49 0.13 -0.51 0.00 0.00 0.00 173.10 175.85 3hmq s THR 179 N 4.01 0.24 -0.26 0.90 -4.23 -1.26 -4.88 115.64 110.16 3hmq s THR 179 Ca 0.44 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.93 3hmq s THR 179 Cb -0.01 -2.55 -0.16 0.00 1.34 0.00 0.00 72.50 71.13 3hmq s THR 179 CO -0.06 0.00 -0.26 0.47 -0.54 0.00 0.00 174.62 174.24 3hmq n ASP 180 N -0.53 2.00 -3.74 3.99 8.00 -0.20 -5.01 116.55 121.06 3hmq n ASP 180 Ca 0.02 -0.03 -0.14 0.00 0.71 0.00 0.00 54.79 55.35 3hmq n ASP 180 Cb 0.66 -0.50 -0.14 0.00 -0.02 0.00 0.00 41.12 41.12 3hmq n ASP 180 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3hmq s ILE 181 N -2.51 -0.07 -0.58 0.53 2.07 -1.05 -5.01 121.20 114.58 3hmq s ILE 181 Ca -0.35 0.19 0.03 0.00 -1.41 0.00 0.00 60.65 59.10 3hmq s ILE 181 Cb 0.10 -0.28 0.15 0.00 0.13 0.00 0.00 42.46 42.56 3hmq s ILE 181 CO 0.56 0.08 0.35 0.20 -1.91 0.00 0.00 174.94 174.22 3hmq s ASN 182 N 1.30 4.60 0.19 4.50 0.01 -1.26 -0.98 114.94 123.30 3hmq s ASN 182 Ca -0.08 -3.17 0.22 0.00 -0.71 0.00 0.00 52.86 49.12 3hmq s ASN 182 Cb -0.11 -1.68 0.90 0.00 0.41 0.00 0.00 41.25 40.77 3hmq s ASN 182 CO -0.07 -0.22 1.68 -0.81 -1.51 0.00 0.00 177.10 176.17 3hmq n PRO 183 N 2.93 0.16 0.00 -0.60 -0.04 -1.26 -2.82 135.00 133.37 3hmq n PRO 183 Ca 0.09 0.35 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 3hmq n PRO 183 Cb 0.34 -1.78 0.09 0.00 -0.04 0.00 0.00 33.50 32.10 3hmq n PRO 183 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hmq n LEU 184 N -2.07 0.71 -4.68 1.53 4.77 -1.26 -4.76 117.00 111.24 3hmq n LEU 184 Ca 0.03 -0.21 -0.47 0.00 -0.03 0.00 0.00 56.01 55.34 3hmq n LEU 184 Cb 0.25 -0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3hmq n LEU 184 CO 0.20 0.17 1.38 1.57 -1.33 0.00 0.00 177.39 179.38 3hmq n HIS 185 N -1.52 2.34 0.00 -1.77 -0.00 -0.99 -2.06 115.22 111.21 3hmq n HIS 185 Ca 0.05 0.07 0.00 0.00 0.46 0.00 0.00 57.72 58.30 3hmq n HIS 185 Cb 0.34 -2.63 0.00 0.00 -0.12 0.00 0.00 29.99 27.58 3hmq n HIS 185 CO 0.00 0.00 0.00 2.89 0.46 0.00 0.00 176.34 179.69 3hmq n ARG 186 N 5.36 0.00 -3.04 1.57 1.85 -1.25 -4.99 116.66 116.17 3hmq n ARG 186 Ca 0.20 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.69 3hmq n ARG 186 Cb 0.30 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.65 3hmq n ARG 186 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3hmq s LEU 187 N 0.00 4.29 0.00 2.89 1.43 -0.88 -3.83 118.68 122.58 3hmq s LEU 187 Ca 0.00 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.59 3hmq s LEU 187 Cb 0.00 -3.77 0.14 0.00 0.03 0.00 0.00 46.19 42.59 3hmq s LEU 187 CO 0.00 -0.03 0.97 -0.46 0.23 0.00 0.00 176.35 177.05 3hmq n ASN 188 N 0.49 1.35 -0.01 2.29 0.23 -1.26 -0.98 115.26 117.37 3hmq n ASN 188 Ca -0.00 -2.13 -0.13 0.00 -0.53 0.00 0.00 54.58 51.79 3hmq n ASN 188 Cb 0.51 -0.62 -0.09 0.00 -2.08 0.00 0.00 39.78 37.50 3hmq n ASN 188 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3hmq h LYS 189 N 0.00 0.03 -0.08 -3.83 1.63 -1.94 -2.34 116.57 110.04 3hmq h LYS 189 Ca -0.32 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.44 3hmq h LYS 189 Cb 1.19 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.81 3hmq h LYS 189 CO 0.35 0.41 -0.10 0.07 -3.45 0.00 0.00 179.45 176.73 3hmq h ARG 190 N -0.36 0.12 -0.60 1.90 0.11 -1.96 -1.95 114.38 111.64 3hmq h ARG 190 Ca 0.00 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.96 3hmq h ARG 190 Cb 0.40 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.44 3hmq h ARG 190 CO 0.00 0.22 -0.03 1.96 0.10 0.00 0.00 179.97 182.22 3hmq h GLN 191 N 0.11 1.08 -0.90 0.08 4.20 -1.93 -1.84 115.11 115.91 3hmq h GLN 191 Ca 0.02 -0.36 0.07 0.00 0.06 0.00 0.00 58.65 58.44 3hmq h GLN 191 Cb 0.25 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 27.88 3hmq h GLN 191 CO 0.01 1.06 0.56 0.78 -0.67 0.00 0.00 178.83 180.58 3hmq h GLY 192 N 0.97 1.37 1.01 3.46 0.00 -0.80 -1.73 103.07 107.35 3hmq h GLY 192 Ca 0.16 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 3hmq h GLY 192 CO 0.04 0.26 0.41 0.50 0.00 0.00 0.00 176.54 177.75 3hmq h LYS 193 N 1.00 1.06 -0.98 4.80 1.57 -1.08 -1.84 116.57 121.10 3hmq h LYS 193 Ca 0.40 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 59.07 3hmq h LYS 193 Cb 0.21 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 3hmq h LYS 193 CO -0.19 0.79 0.65 1.96 -0.57 0.00 0.00 179.45 182.09 3hmq h GLN 194 N 1.05 1.27 -0.19 3.15 4.20 -0.50 0.09 115.11 124.17 3hmq h GLN 194 Ca 0.27 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.88 3hmq h GLN 194 Cb 0.04 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 3hmq h GLN 194 CO -0.04 0.84 0.03 -0.07 -0.67 0.00 0.00 178.83 178.92 3hmq h LEU 195 N 1.31 0.31 -0.94 1.46 4.07 -1.03 -1.56 115.31 118.92 3hmq h LEU 195 Ca 0.37 -0.26 0.02 0.00 0.08 0.00 0.00 57.88 58.09 3hmq h LEU 195 Cb -0.11 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.49 3hmq h LEU 195 CO -0.09 0.48 0.62 -0.07 -1.08 0.00 0.00 178.44 178.30 3hmq h LEU 196 N 0.12 1.05 -0.51 1.67 3.38 -0.96 -1.03 115.31 119.03 3hmq h LEU 196 Ca 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3hmq h LEU 196 Cb 0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3hmq h LEU 196 CO 0.00 0.75 0.29 0.00 0.09 0.00 0.00 178.44 179.57 3hmq h ALA 197 N 1.36 0.66 0.00 1.53 0.00 -0.86 -1.43 119.26 120.52 3hmq h ALA 197 Ca 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3hmq h ALA 197 Cb -0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3hmq h ALA 197 CO -0.09 0.17 -0.15 0.00 0.00 0.00 0.00 179.25 179.18 3hmq h ALA 198 N 1.13 1.74 -0.00 0.00 0.00 -0.63 -2.34 119.26 119.16 3hmq h ALA 198 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3hmq h ALA 198 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hmq h ALA 198 CO -0.03 0.18 -0.16 1.28 0.00 0.00 0.00 179.25 180.52 3hmq n LEU 199 N -4.34 0.46 0.00 0.00 4.77 -0.45 -4.94 117.00 112.50 3hmq n LEU 199 Ca -0.03 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3hmq n LEU 199 Cb 0.21 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3hmq n LEU 199 CO 0.36 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3hmq n GLY 200 N 1.35 0.42 3.77 -0.72 0.00 -0.84 -5.02 105.19 104.14 3hmq n GLY 200 Ca 0.12 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 3hmq n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmq n PRO 202 N 1.15 1.76 -0.01 0.00 -0.02 -1.26 -4.80 135.00 131.82 3hmq n PRO 202 Ca 0.02 0.64 0.13 0.00 -2.02 0.00 0.00 63.50 62.27 3hmq n PRO 202 Cb 0.40 -2.36 0.56 0.00 -0.02 0.00 0.00 33.50 32.08 3hmq n PRO 202 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hmq h GLU 203 N 5.59 0.26 0.00 -0.52 5.08 -1.98 -2.39 114.58 120.63 3hmq h GLU 203 Ca -0.46 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 3hmq h GLU 203 Cb 1.29 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3hmq h GLU 203 CO 0.85 0.17 0.00 1.12 -1.00 0.00 0.00 179.01 180.15 3hmq h HIS 204 N 0.27 0.00 0.00 4.33 2.07 -1.89 0.29 115.15 120.22 3hmq h HIS 204 Ca 0.23 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.75 3hmq h HIS 204 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 3hmq h HIS 204 CO -0.00 0.00 -0.10 1.28 -3.07 0.00 0.00 177.93 176.04 3hmq n LEU 205 N -2.67 0.26 0.00 6.12 4.77 -0.90 -4.33 117.00 120.25 3hmq n LEU 205 Ca 0.00 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3hmq n LEU 205 Cb 0.20 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 3hmq n LEU 205 CO 0.21 -0.02 -0.02 0.00 -1.33 0.00 0.00 177.39 176.23 3hmq n TYR 206 N -1.67 0.00 -2.56 -1.77 4.11 -0.95 -3.55 117.16 110.77 3hmq n TYR 206 Ca 0.06 0.00 -0.42 0.00 -0.00 0.00 0.00 57.90 57.54 3hmq n TYR 206 Cb 0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.67 3hmq n TYR 206 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 3hmq s LYS 207 N -0.11 4.50 0.59 -3.48 2.47 0.96 -5.02 119.74 119.65 3hmq s LYS 207 Ca 0.00 1.60 0.10 0.00 -1.56 0.00 0.00 55.97 56.11 3hmq s LYS 207 Cb 0.00 -3.40 0.09 0.00 -1.46 0.00 0.00 37.83 33.07 3hmq s LYS 207 CO 0.00 -0.15 0.80 -1.59 0.16 0.00 0.00 175.35 174.57 3hmq s LYS 208 N 0.98 2.26 0.07 4.03 0.00 -1.26 -4.87 119.74 120.95 3hmq s LYS 208 Ca 0.55 -1.69 -0.30 0.00 0.00 0.00 0.00 55.97 54.53 3hmq s LYS 208 Cb -0.26 -2.62 -0.09 0.00 0.00 0.00 0.00 37.83 34.86 3hmq s LYS 208 CO 0.29 -0.90 1.85 -1.25 0.00 0.00 0.00 175.35 175.34 3hmq s PRO 222 N -4.68 4.15 -0.43 1.78 0.04 -1.26 -5.20 135.00 129.40 3hmq s PRO 222 Ca 0.61 2.54 -0.24 0.00 0.04 0.00 0.00 61.00 63.95 3hmq s PRO 222 Cb -0.05 -3.85 0.02 0.00 0.04 0.00 0.00 34.50 30.66 3hmq s PRO 222 CO 0.39 -0.88 0.86 0.34 0.04 0.00 0.00 177.00 177.75 3hmq s ASP 223 N 3.42 6.50 0.10 6.66 2.15 -1.26 -4.98 116.67 129.26 3hmq s ASP 223 Ca 0.83 0.15 -0.15 0.00 0.43 0.00 0.00 52.55 53.81 3hmq s ASP 223 Cb -0.43 -2.42 0.03 0.00 -0.30 0.00 0.00 42.92 39.79 3hmq s ASP 223 CO 0.37 -0.92 0.35 -1.83 -0.17 0.00 0.00 175.17 172.97 3hmq s GLU 224 N 3.45 0.97 0.03 4.34 -1.05 -1.26 -4.87 118.70 120.31 3hmq s GLU 224 Ca 0.34 -0.68 -0.18 0.00 -0.15 0.00 0.00 54.97 54.30 3hmq s GLU 224 Cb -0.11 0.42 -0.23 0.00 -0.44 0.00 0.00 34.13 33.77 3hmq s GLU 224 CO 0.22 -0.35 1.13 0.00 0.95 0.00 0.00 175.26 177.22 3hmq h ALA 225 N 2.64 0.10 -2.82 -0.84 0.00 -0.94 -3.48 119.26 113.92 3hmq h ALA 225 Ca -0.33 -0.59 -0.21 0.00 0.00 0.00 0.00 54.91 53.77 3hmq h ALA 225 Cb 1.23 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.95 3hmq h ALA 225 CO 0.48 0.43 -0.28 0.00 0.00 0.00 0.00 179.25 179.89 3hmq s ALA 226 N -3.29 0.61 -0.04 0.00 0.00 -0.65 -5.03 121.76 113.36 3hmq s ALA 226 Ca -0.12 -1.39 -0.31 0.00 0.00 0.00 0.00 51.96 50.13 3hmq s ALA 226 Cb 0.05 1.20 -0.09 0.00 0.00 0.00 0.00 23.12 24.27 3hmq s ALA 226 CO 0.85 -0.76 1.99 -0.11 0.00 0.00 0.00 175.76 177.73 3hmq n LEU 227 N -0.45 3.84 -0.60 0.00 7.94 -1.26 -1.06 117.00 125.41 3hmq n LEU 227 Ca 0.01 0.82 -0.08 0.00 -1.11 0.00 0.00 56.01 55.64 3hmq n LEU 227 Cb 0.63 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 43.05 3hmq n LEU 227 CO 0.28 0.01 -0.07 0.61 -1.11 0.00 0.00 177.39 177.11 3hmq n GLY 228 N 4.73 0.96 2.74 -3.96 0.00 -1.26 -5.00 105.19 103.40 3hmq n GLY 228 Ca 0.22 -0.42 -0.24 0.00 0.00 0.00 0.00 46.02 45.58 3hmq n GLY 228 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hmq s VAL 229 N -2.17 0.33 0.59 1.61 1.01 -0.22 -4.87 120.40 116.68 3hmq s VAL 229 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 3hmq s VAL 229 Cb 0.00 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.79 3hmq s VAL 229 CO 0.00 0.09 0.85 0.42 0.00 0.00 0.00 175.10 176.46 3hmq s THR 230 N 1.97 2.71 0.26 3.92 -4.23 -1.26 -0.35 115.64 118.66 3hmq s THR 230 Ca 0.03 -0.49 -0.04 0.00 -1.18 0.00 0.00 61.69 60.02 3hmq s THR 230 Cb -0.14 -3.07 0.18 0.00 1.34 0.00 0.00 72.50 70.81 3hmq s THR 230 CO -0.06 -0.06 1.84 1.88 -0.54 0.00 0.00 174.62 177.68 3hmq h TYR 231 N -0.13 1.02 -0.71 3.99 0.05 -1.91 -2.11 116.97 117.17 3hmq h TYR 231 Ca -0.43 -0.07 -0.07 0.00 0.05 0.00 0.00 58.73 58.21 3hmq h TYR 231 Cb 1.30 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 38.70 3hmq h TYR 231 CO 0.37 0.78 0.18 -0.44 -1.05 0.00 0.00 178.16 178.00 3hmq h ASP 232 N 0.98 1.06 -0.10 3.88 3.32 -1.99 -0.84 116.42 122.73 3hmq h ASP 232 Ca 0.23 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3hmq h ASP 232 Cb 0.19 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3hmq h ASP 232 CO -0.02 1.01 0.01 0.78 -1.72 0.00 0.00 179.24 179.29 3hmq h ASN 233 N 1.06 -0.02 -0.25 6.45 -0.26 -1.82 -0.28 115.58 120.46 3hmq h ASN 233 Ca 0.22 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3hmq h ASN 233 Cb 0.36 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 3hmq h ASN 233 CO 0.00 0.01 0.14 0.40 -1.06 0.00 0.00 177.43 176.92 3hmq h ILE 234 N 0.05 1.11 -0.58 2.81 2.04 -1.15 -1.07 117.51 120.72 3hmq h ILE 234 Ca 0.05 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 3hmq h ILE 234 Cb 0.05 0.86 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 3hmq h ILE 234 CO -0.07 0.11 0.23 0.44 0.00 0.00 0.00 178.15 178.86 3hmq h ASP 235 N 0.30 0.81 -0.78 1.72 3.32 -1.06 -0.41 116.42 120.32 3hmq h ASP 235 Ca 0.09 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 56.97 3hmq h ASP 235 Cb 0.06 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 3hmq h ASP 235 CO -0.01 0.76 0.51 0.44 -1.72 0.00 0.00 179.24 179.22 3hmq h ASP 236 N 0.81 0.90 -0.44 6.45 3.32 -0.88 -0.58 116.42 126.00 3hmq h ASP 236 Ca 0.19 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3hmq h ASP 236 Cb 0.21 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3hmq h ASP 236 CO -0.02 0.66 0.22 0.22 -1.72 0.00 0.00 179.24 178.60 3hmq h TYR 237 N 1.06 0.62 0.00 4.55 3.20 -0.71 -1.66 116.97 124.03 3hmq h TYR 237 Ca 0.28 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 62.11 3hmq h TYR 237 Cb -0.11 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 37.96 3hmq h TYR 237 CO -0.02 0.50 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.85 3hmq h LEU 238 N 0.57 0.00 -1.23 2.82 3.38 -0.60 -1.58 115.31 118.67 3hmq h LEU 238 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hmq h LEU 238 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hmq h LEU 238 CO -0.02 0.08 0.00 -0.62 0.09 0.00 0.00 178.44 177.97 3hmq n GLU 239 N -3.52 1.80 -0.72 1.13 1.02 -0.27 -4.54 120.64 115.54 3hmq n GLU 239 Ca -0.02 -1.21 0.00 0.00 -0.02 0.00 0.00 57.16 55.91 3hmq n GLU 239 Cb 0.21 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 3hmq n GLU 239 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hmq n GLY 240 N 1.14 0.62 3.84 0.62 0.00 -0.60 -4.57 105.19 106.24 3hmq n GLY 240 Ca 0.15 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3hmq n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hmq s LYS 241 N -0.58 3.70 -0.29 1.61 1.02 -0.67 -5.02 119.74 119.51 3hmq s LYS 241 Ca 0.00 0.95 -0.16 0.00 0.02 0.00 0.00 55.97 56.77 3hmq s LYS 241 Cb 0.00 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 3hmq s LYS 241 CO 0.00 -0.48 0.43 0.99 -0.92 0.00 0.00 175.35 175.37 3hmq s THR 242 N -2.75 5.12 0.43 2.17 2.01 -1.26 -4.56 115.64 116.79 3hmq s THR 242 Ca 0.59 0.53 0.08 0.00 0.31 0.00 0.00 61.69 63.20 3hmq s THR 242 Cb -0.11 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 3hmq s THR 242 CO 0.39 0.04 0.41 -0.76 -0.69 0.00 0.00 174.62 174.01 3hmq s LEU 243 N 2.18 3.34 0.07 4.42 1.43 -1.26 -5.07 118.68 123.80 3hmq s LEU 243 Ca 0.17 -0.77 -0.37 0.00 -1.03 0.00 0.00 54.13 52.13 3hmq s LEU 243 Cb -0.16 -2.01 -0.18 0.00 0.03 0.00 0.00 46.19 43.88 3hmq s LEU 243 CO 0.11 -0.72 1.19 -0.67 0.23 0.00 0.00 176.35 176.49 3hmq n ASP 244 N -1.61 0.92 -0.02 2.29 2.03 -1.26 -4.75 116.55 114.15 3hmq n ASP 244 Ca 0.04 1.14 0.20 0.00 0.52 0.00 0.00 54.79 56.69 3hmq n ASP 244 Cb 0.62 -1.09 0.68 0.00 -0.72 0.00 0.00 41.12 40.60 3hmq n ASP 244 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3hmq h PRO 245 N 3.74 0.03 -0.58 -0.67 0.11 -1.99 -1.47 132.00 131.17 3hmq h PRO 245 Ca -0.48 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3hmq h PRO 245 Cb 1.37 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.45 3hmq h PRO 245 CO 0.72 0.02 -0.01 0.00 -0.21 0.00 0.00 178.00 178.52 3hmq h ALA 246 N 1.72 0.89 -0.04 -0.75 0.00 -1.99 0.39 119.26 119.47 3hmq h ALA 246 Ca 0.27 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hmq h ALA 246 Cb 1.04 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hmq h ALA 246 CO -0.01 0.65 -0.09 0.82 0.00 0.00 0.00 179.25 180.62 3hmq h ILE 247 N 0.92 1.43 -0.56 0.00 2.04 -1.64 -2.64 117.51 117.06 3hmq h ILE 247 Ca 0.16 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.62 3hmq h ILE 247 Cb 0.55 2.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.87 3hmq h ILE 247 CO 0.03 0.39 0.36 0.00 0.00 0.00 0.00 178.15 178.92 3hmq h ALA 248 N 0.46 0.72 -0.89 1.87 0.00 -1.32 -1.37 119.26 118.74 3hmq h ALA 248 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hmq h ALA 248 Cb 0.67 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3hmq h ALA 248 CO 0.02 0.11 0.52 -0.22 0.00 0.00 0.00 179.25 179.68 3hmq h LYS 249 N 0.72 1.21 -0.24 0.00 3.64 -0.95 0.39 116.57 121.34 3hmq h LYS 249 Ca 0.22 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3hmq h LYS 249 Cb -0.03 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.53 3hmq h LYS 249 CO -0.07 0.86 -0.03 1.15 -2.27 0.00 0.00 179.45 179.09 3hmq h THR 250 N 1.23 1.27 -0.20 1.00 2.02 -1.08 -0.53 112.91 116.62 3hmq h THR 250 Ca 0.32 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.51 3hmq h THR 250 Cb -0.03 1.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3hmq h THR 250 CO -0.06 0.31 0.12 0.40 0.37 0.00 0.00 175.52 176.66 3hmq h ILE 251 N 0.20 1.03 -0.20 3.11 2.04 -0.97 -2.43 117.51 120.29 3hmq h ILE 251 Ca 0.06 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 3hmq h ILE 251 Cb 0.47 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3hmq h ILE 251 CO 0.02 0.05 -0.09 -0.33 0.00 0.00 0.00 178.15 177.79 3hmq h GLU 252 N 0.25 0.32 -0.43 2.37 5.08 -0.84 -2.19 114.58 119.14 3hmq h GLU 252 Ca 0.08 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3hmq h GLU 252 Cb -0.01 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 3hmq h GLU 252 CO -0.03 0.43 -0.00 0.78 -1.00 0.00 0.00 179.01 179.18 3hmq h GLY 253 N 0.76 0.83 1.02 -3.84 0.00 -0.81 -1.99 103.07 99.04 3hmq h GLY 253 Ca 0.06 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 3hmq h GLY 253 CO 0.02 0.57 0.08 1.49 0.00 0.00 0.00 176.54 178.70 3hmq h TRP 254 N 0.61 0.98 0.22 5.60 4.06 -1.12 -1.58 115.95 124.74 3hmq h TRP 254 Ca 0.12 -0.14 0.00 0.00 2.06 0.00 0.00 58.89 60.94 3hmq h TRP 254 Cb 0.50 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.37 3hmq h TRP 254 CO 0.04 0.87 -0.22 -0.92 -3.56 0.00 0.00 178.44 174.65 3hmq h TYR 255 N 0.81 -0.58 -0.80 0.49 3.20 -1.30 -2.04 116.97 116.75 3hmq h TYR 255 Ca 0.17 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3hmq h TYR 255 Cb 0.42 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 3hmq h TYR 255 CO 0.03 -0.33 0.50 0.28 -1.64 0.00 0.00 178.16 177.00 3hmq h VAL 256 N -0.48 1.22 -0.54 1.81 2.07 -1.34 -2.50 116.25 116.49 3hmq h VAL 256 Ca -0.00 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 3hmq h VAL 256 Cb 0.44 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3hmq h VAL 256 CO -0.05 0.23 0.27 0.50 0.02 0.00 0.00 177.57 178.53 3hmq h LYS 257 N 1.10 0.76 -0.51 1.57 3.64 -1.12 -3.10 116.57 118.90 3hmq h LYS 257 Ca 0.29 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3hmq h LYS 257 Cb -0.06 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.61 3hmq h LYS 257 CO -0.06 0.59 0.00 0.25 -2.27 0.00 0.00 179.45 177.96 3hmq n THR 258 N -4.37 2.42 -0.06 1.00 -2.24 -0.78 -4.56 114.28 105.68 3hmq n THR 258 Ca 0.05 -1.46 0.10 0.00 -2.27 0.00 0.00 64.05 60.47 3hmq n THR 258 Cb 0.12 -0.16 0.49 0.00 -2.10 0.00 0.00 70.33 68.68 3hmq n THR 258 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3hmq h GLU 259 N 3.46 0.42 -0.12 -0.78 4.57 -1.39 -0.44 114.58 120.30 3hmq h GLU 259 Ca 0.00 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3hmq h GLU 259 Cb 1.72 -0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 30.21 3hmq h GLU 259 CO 0.36 0.28 0.09 1.12 -1.18 0.00 0.00 179.01 179.68 3hmq h HIS 260 N 0.43 0.00 0.00 0.92 2.07 -1.86 -1.89 115.15 114.82 3hmq h HIS 260 Ca 0.25 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.72 3hmq h HIS 260 Cb 0.41 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.38 3hmq h HIS 260 CO -0.00 0.00 -0.21 0.87 -3.07 0.00 0.00 177.93 175.51 3hmq h LYS 261 N 0.00 0.00 -0.53 5.12 1.57 -1.43 -3.21 116.57 118.09 3hmq h LYS 261 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3hmq h LYS 261 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hmq h LYS 261 CO -0.00 0.21 0.00 0.54 -0.57 0.00 0.00 179.45 179.63 3hmq n ARG 262 N -3.30 3.58 -4.19 3.15 1.74 -0.72 -4.96 116.66 111.97 3hmq n ARG 262 Ca 0.01 -2.79 -0.12 0.00 -0.77 0.00 0.00 57.85 54.18 3hmq n ARG 262 Cb 0.47 -1.83 -0.10 0.00 -1.02 0.00 0.00 32.46 29.98 3hmq n ARG 262 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hmq s ARG 263 N -1.98 0.89 0.84 5.56 0.52 -1.17 -5.11 118.95 118.50 3hmq s ARG 263 Ca 0.46 -1.34 -0.11 0.00 -0.52 0.00 0.00 55.73 54.22 3hmq s ARG 263 Cb 0.31 -0.34 0.10 0.00 0.52 0.00 0.00 34.95 35.54 3hmq s ARG 263 CO 0.20 0.02 1.10 -0.51 0.02 0.00 0.00 175.30 176.12 3hmq s LEU 264 N -3.00 2.67 0.27 2.53 1.43 -1.26 -4.93 118.68 116.40 3hmq s LEU 264 Ca 0.12 1.73 -0.28 0.00 -1.03 0.00 0.00 54.13 54.68 3hmq s LEU 264 Cb 0.04 -4.28 -0.15 0.00 0.03 0.00 0.00 46.19 41.83 3hmq s LEU 264 CO -0.03 -2.42 0.83 -2.65 0.23 0.00 0.00 176.35 172.31 3hmq n PRO 265 N -3.77 0.89 -2.58 1.29 -0.02 -1.26 -4.86 135.00 124.69 3hmq n PRO 265 Ca 0.08 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 3hmq n PRO 265 Cb 0.54 -1.56 -0.04 0.00 -0.02 0.00 0.00 33.50 32.42 3hmq n PRO 265 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hmq s ILE 266 N -1.06 4.15 0.39 4.25 1.01 -1.26 -5.05 121.20 123.63 3hmq s ILE 266 Ca 0.60 1.76 0.06 0.00 0.00 0.00 0.00 60.65 63.08 3hmq s ILE 266 Cb -0.77 -4.12 -0.08 0.00 0.01 0.00 0.00 42.46 37.50 3hmq s ILE 266 CO 0.59 0.26 0.02 0.42 0.00 0.00 0.00 174.94 176.22 3hmq s THR 267 N 0.09 1.85 -0.12 2.92 -4.23 -1.26 -5.03 115.64 109.87 3hmq s THR 267 Ca 0.50 -2.01 0.24 0.00 -1.18 0.00 0.00 61.69 59.25 3hmq s THR 267 Cb -0.27 -2.95 0.24 0.00 1.34 0.00 0.00 72.50 70.86 3hmq s THR 267 CO 0.32 -0.01 1.74 -0.37 -0.54 0.00 0.00 174.62 175.76 3hmq h VAL 268 N 1.84 0.00 0.00 2.29 -1.51 -2.05 -2.40 116.25 114.42 3hmq h VAL 268 Ca -0.43 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 3hmq h VAL 268 Cb 1.24 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 3hmq h VAL 268 CO 0.79 0.00 -0.53 0.49 -1.23 0.00 0.00 177.57 177.09 3hmq n PHE 269 N -2.34 0.36 -2.68 5.19 3.72 -1.26 -4.93 117.46 115.52 3hmq n PHE 269 Ca -0.02 0.11 -0.38 0.00 -0.05 0.00 0.00 57.45 57.11 3hmq n PHE 269 Cb 0.04 -0.53 -0.06 0.00 -0.94 0.00 0.00 39.48 37.99 3hmq n PHE 269 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hmq s ASP 270 N -3.79 7.25 0.00 4.37 1.01 -0.90 -4.97 116.67 119.64 3hmq s ASP 270 Ca 0.08 1.96 0.00 0.00 0.71 0.00 0.00 52.55 55.30 3hmq s ASP 270 Cb 0.15 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.49 3hmq s ASP 270 CO 0.70 -0.14 0.00 0.47 0.21 0.00 0.00 175.17 176.41 3hmq n ASP 271 N 0.65 0.00 -0.13 0.27 8.00 -1.26 -4.84 116.55 119.24 3hmq n ASP 271 Ca 0.02 -0.44 0.09 0.00 0.71 0.00 0.00 54.79 55.16 3hmq n ASP 271 Cb 0.49 0.88 0.42 0.00 -0.02 0.00 0.00 41.12 42.89 3hmq n ASP 271 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 3hmq h PHE 272 N 0.00 0.61 0.00 1.24 -5.15 -2.00 -2.05 116.94 109.59 3hmq h PHE 272 Ca 0.00 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.79 3hmq h PHE 272 Cb 0.00 -0.20 0.00 0.00 0.22 0.00 0.00 35.95 35.97 3hmq h PHE 272 CO 0.00 0.31 0.00 -2.67 -2.00 0.00 0.00 178.31 173.95 3hmq n TRP 273 N -4.48 0.38 -2.60 6.09 4.27 -1.26 -4.90 117.44 114.93 3hmq n TRP 273 Ca 0.10 0.11 -0.39 0.00 -3.89 0.00 0.00 57.50 53.43 3hmq n TRP 273 Cb 0.29 -0.68 -0.05 0.00 -1.36 0.00 0.00 31.31 29.51 3hmq n TRP 273 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 3hmq s LYS 274 N -3.05 4.65 0.00 -2.67 1.02 -0.77 -5.24 119.74 113.68 3hmq s LYS 274 Ca 0.12 1.62 0.31 0.00 0.02 0.00 0.00 55.97 58.04 3hmq s LYS 274 Cb 0.16 -3.11 1.82 0.00 -0.52 0.00 0.00 37.83 36.18 3hmq s LYS 274 CO 0.54 0.28 2.15 0.54 -0.92 0.00 0.00 175.35 177.94