#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwq n PRO 5 N 0.00 0.85 -0.19 0.00 -0.02 -1.26 -4.69 135.00 129.69 3iwq n PRO 5 Ca 0.00 0.30 0.08 0.00 -2.02 0.00 0.00 63.50 61.86 3iwq n PRO 5 Cb 0.00 -1.67 0.37 0.00 -0.02 0.00 0.00 33.50 32.17 3iwq n PRO 5 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3iwq h GLN 6 N 2.59 0.70 -0.36 -0.52 4.15 -2.05 -1.29 115.11 118.33 3iwq h GLN 6 Ca -0.40 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 58.96 3iwq h GLN 6 Cb 1.37 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 3iwq h GLN 6 CO 0.65 0.46 0.17 -0.56 -1.93 0.00 0.00 178.83 177.62 3iwq h GLN 7 N 0.72 0.52 0.15 1.69 -0.00 -1.99 0.61 115.11 116.82 3iwq h GLN 7 Ca 0.33 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.89 3iwq h GLN 7 Cb 0.34 -0.09 0.00 0.00 -0.00 0.00 0.00 27.48 27.73 3iwq h GLN 7 CO -0.11 0.48 -0.07 0.82 -0.00 0.00 0.00 178.83 179.94 3iwq h ILE 8 N 0.44 0.89 -0.32 1.86 2.04 -1.68 -1.15 117.51 119.59 3iwq h ILE 8 Ca 0.12 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.92 3iwq h ILE 8 Cb 0.13 0.97 -0.08 0.00 -0.74 0.00 0.00 36.82 37.10 3iwq h ILE 8 CO -0.01 0.03 -0.27 -1.13 0.00 0.00 0.00 178.15 176.76 3iwq h ASN 9 N -0.27 -0.89 -0.01 1.72 -1.24 -0.88 -1.47 115.58 112.55 3iwq h ASN 9 Ca -0.02 0.16 0.01 0.00 0.71 0.00 0.00 56.30 57.16 3iwq h ASN 9 Cb 0.21 0.42 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 3iwq h ASN 9 CO 0.03 -0.30 -0.04 0.44 -1.29 0.00 0.00 177.43 176.27 3iwq h ASP 10 N -0.24 -0.13 -0.69 1.15 3.32 0.32 0.01 116.42 120.17 3iwq h ASP 10 Ca 0.16 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.18 3iwq h ASP 10 Cb 0.50 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 3iwq h ASP 10 CO -0.46 -0.07 0.24 -0.29 -1.72 0.00 0.00 179.24 176.95 3iwq h ILE 11 N -0.07 1.25 0.40 0.35 6.09 -0.91 -1.48 117.51 123.13 3iwq h ILE 11 Ca 0.02 -0.83 -0.02 0.00 -1.37 0.00 0.00 64.86 62.66 3iwq h ILE 11 Cb 0.10 0.45 0.00 0.00 0.47 0.00 0.00 36.82 37.85 3iwq h ILE 11 CO -0.05 0.33 -0.19 0.58 -3.07 0.00 0.00 178.15 175.74 3iwq h VAL 12 N 1.03 0.61 -0.51 2.19 2.07 -1.14 -1.66 116.25 118.85 3iwq h VAL 12 Ca 0.23 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.64 3iwq h VAL 12 Cb 0.26 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3iwq h VAL 12 CO -0.01 0.02 0.26 0.45 0.02 0.00 0.00 177.57 178.31 3iwq h HIS 13 N -0.59 0.72 0.00 1.57 3.86 -0.86 0.11 115.15 119.96 3iwq h HIS 13 Ca -0.05 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 3iwq h HIS 13 Cb 0.44 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 3iwq h HIS 13 CO -0.04 0.55 -0.10 0.00 0.86 0.00 0.00 177.93 179.21 3iwq h ARG 14 N 0.68 0.00 0.03 2.45 3.08 -1.22 -1.98 114.38 117.43 3iwq h ARG 14 Ca 0.18 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.99 3iwq h ARG 14 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3iwq h ARG 14 CO -0.02 0.10 -1.26 1.15 -1.07 0.00 0.00 179.97 178.87 3iwq h THR 15 N 0.00 0.98 -0.05 2.04 2.02 -0.88 -3.41 112.91 113.60 3iwq h THR 15 Ca -0.00 -2.25 -0.24 0.00 0.77 0.00 0.00 66.41 64.69 3iwq h THR 15 Cb 0.24 2.44 0.01 0.00 -1.74 0.00 0.00 68.15 69.10 3iwq h THR 15 CO 0.01 0.47 -0.91 0.40 0.37 0.00 0.00 175.52 175.86 3iwq h ILE 16 N -0.76 1.32 0.29 3.11 1.08 -0.76 -3.05 117.51 118.73 3iwq h ILE 16 Ca -0.32 -2.20 0.00 0.00 -0.39 0.00 0.00 64.86 61.95 3iwq h ILE 16 Cb 1.44 2.25 -0.04 0.00 -3.07 0.00 0.00 36.82 37.40 3iwq h ILE 16 CO -0.11 0.68 -0.50 0.74 -0.69 0.00 0.00 178.15 178.26 3iwq h THR 17 N 0.39 0.03 -0.99 -0.27 2.02 -1.56 0.25 112.91 112.77 3iwq h THR 17 Ca -0.09 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.20 3iwq h THR 17 Cb 1.55 0.03 -0.08 0.00 -1.74 0.00 0.00 68.15 67.91 3iwq h THR 17 CO 0.17 0.00 0.63 -0.65 0.37 0.00 0.00 175.52 176.04 3iwq h PRO 18 N -0.85 0.98 0.06 6.66 0.11 -1.79 -1.83 132.00 135.34 3iwq h PRO 18 Ca -0.03 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.05 3iwq h PRO 18 Cb 0.80 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 3iwq h PRO 18 CO -0.18 0.65 -0.21 1.25 -0.21 0.00 0.00 178.00 179.29 3iwq h LEU 19 N 1.01 -0.60 -0.83 2.35 5.85 -1.27 0.32 115.31 122.13 3iwq h LEU 19 Ca 0.48 0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.33 3iwq h LEU 19 Cb 0.44 0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 3iwq h LEU 19 CO -0.25 -0.29 0.52 0.40 -0.34 0.00 0.00 178.44 178.48 3iwq h ILE 20 N -0.37 1.07 0.17 4.05 2.04 -0.79 0.45 117.51 124.14 3iwq h ILE 20 Ca 0.04 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 3iwq h ILE 20 Cb 0.41 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3iwq h ILE 20 CO -0.15 0.18 -0.08 -0.08 0.00 0.00 0.00 178.15 178.01 3iwq h GLU 21 N 0.98 -0.22 -0.34 2.37 4.57 -0.81 -0.03 114.58 121.11 3iwq h GLU 21 Ca 0.35 0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.40 3iwq h GLU 21 Cb 0.10 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 3iwq h GLU 21 CO -0.15 -0.09 -0.38 1.96 -1.18 0.00 0.00 179.01 179.17 3iwq h GLN 22 N -0.29 0.80 -0.01 1.92 4.20 -0.04 -3.16 115.11 118.53 3iwq h GLN 22 Ca -0.02 -0.41 0.00 0.00 0.06 0.00 0.00 58.65 58.28 3iwq h GLN 22 Cb 0.22 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3iwq h GLN 22 CO 0.04 1.04 -0.28 1.04 -0.67 0.00 0.00 178.83 179.99 3iwq n GLN 23 N -4.05 0.87 -3.77 1.46 1.13 0.12 -4.96 117.38 108.17 3iwq n GLN 23 Ca -0.02 -0.54 -0.24 0.00 -1.94 0.00 0.00 57.00 54.27 3iwq n GLN 23 Cb 0.53 -1.49 0.03 0.00 0.11 0.00 0.00 30.24 29.42 3iwq n GLN 23 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3iwq n LYS 24 N -0.60 -5.00 -2.47 -1.09 5.02 -0.06 -4.94 118.16 109.03 3iwq n LYS 24 Ca 0.12 0.60 -0.43 0.00 -2.02 0.00 0.00 58.31 56.58 3iwq n LYS 24 Cb 0.36 -5.22 -0.02 0.00 -0.02 0.00 0.00 35.03 30.12 3iwq n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3iwq s ILE 25 N -3.59 4.35 0.24 -0.18 1.01 -0.99 -4.94 121.20 117.10 3iwq s ILE 25 Ca 0.18 1.64 -0.03 0.00 0.00 0.00 0.00 60.65 62.44 3iwq s ILE 25 Cb -0.09 -4.06 0.09 0.00 0.01 0.00 0.00 42.46 38.41 3iwq s ILE 25 CO 0.82 -0.12 1.72 -0.65 0.00 0.00 0.00 174.94 176.71 3iwq h PRO 26 N 7.97 0.81 -2.57 2.79 0.11 -1.88 -3.46 132.00 135.77 3iwq h PRO 26 Ca -0.26 -0.24 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3iwq h PRO 26 Cb 1.10 -0.08 -0.21 0.00 0.11 0.00 0.00 31.00 31.93 3iwq h PRO 26 CO 0.96 0.84 -0.10 0.20 -0.21 0.00 0.00 178.00 179.70 3iwq s GLY 27 N -3.74 -0.35 -0.07 -0.55 0.00 -1.21 -0.07 107.32 101.34 3iwq s GLY 27 Ca -0.10 0.98 -0.17 0.00 0.00 0.00 0.00 44.72 45.44 3iwq s GLY 27 CO 0.82 0.74 0.39 -0.29 0.00 0.00 0.00 173.10 174.76 3iwq s MET 28 N -0.72 0.65 -0.01 2.90 1.75 -0.44 -2.56 119.30 120.86 3iwq s MET 28 Ca -0.08 0.12 0.03 0.00 -1.25 0.00 0.00 55.69 54.51 3iwq s MET 28 Cb -0.03 0.30 -0.00 0.00 2.84 0.00 0.00 34.83 37.93 3iwq s MET 28 CO 0.05 -0.16 -0.10 0.00 -0.65 0.00 0.00 175.02 174.15 3iwq s ALA 29 N -0.79 0.90 -0.02 4.11 0.00 0.28 -1.21 121.76 125.04 3iwq s ALA 29 Ca -0.09 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.48 3iwq s ALA 29 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.81 3iwq s ALA 29 CO 0.04 0.20 -0.12 0.08 0.00 0.00 0.00 175.76 175.95 3iwq s VAL 30 N -0.11 1.00 -0.04 0.00 1.01 0.03 -0.80 120.40 121.48 3iwq s VAL 30 Ca 0.02 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.54 3iwq s VAL 30 Cb -0.06 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 3iwq s VAL 30 CO -0.00 0.29 -0.23 0.00 0.00 0.00 0.00 175.10 175.16 3iwq s ALA 31 N -0.15 2.27 -0.16 5.51 0.00 -0.27 -0.98 121.76 127.99 3iwq s ALA 31 Ca 0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.90 3iwq s ALA 31 Cb -0.06 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 3iwq s ALA 31 CO 0.00 0.49 -0.10 0.08 0.00 0.00 0.00 175.76 176.23 3iwq s VAL 32 N -0.45 3.20 -0.26 0.00 1.01 0.06 -1.21 120.40 122.76 3iwq s VAL 32 Ca 0.05 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 3iwq s VAL 32 Cb -0.12 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3iwq s VAL 32 CO 0.01 0.49 0.28 -0.63 0.00 0.00 0.00 175.10 175.25 3iwq s ILE 33 N 0.73 5.25 -0.07 2.22 1.09 0.31 -0.56 121.20 130.18 3iwq s ILE 33 Ca -0.04 0.40 -0.01 0.00 -1.10 0.00 0.00 60.65 59.89 3iwq s ILE 33 Cb -0.15 -3.61 0.03 0.00 -1.06 0.00 0.00 42.46 37.66 3iwq s ILE 33 CO 0.02 0.24 0.01 -0.47 -0.10 0.00 0.00 174.94 174.63 3iwq s TYR 34 N 1.67 0.59 -1.65 3.97 5.04 -0.21 -1.07 117.35 125.69 3iwq s TYR 34 Ca 0.12 -0.12 -0.08 0.00 -2.44 0.00 0.00 57.07 54.55 3iwq s TYR 34 Cb -0.15 -0.76 0.08 0.00 0.35 0.00 0.00 41.96 41.47 3iwq s TYR 34 CO 0.09 -0.31 0.25 1.04 -1.34 0.00 0.00 175.55 175.27 3iwq n GLN 35 N 5.17 -1.15 -1.70 4.97 6.02 -1.05 -1.94 117.38 127.70 3iwq n GLN 35 Ca -0.07 0.14 -0.08 0.00 -0.01 0.00 0.00 57.00 56.98 3iwq n GLN 35 Cb 0.50 -4.07 -0.02 0.00 1.02 0.00 0.00 30.24 27.67 3iwq n GLN 35 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3iwq n GLY 36 N -2.03 0.52 3.00 1.08 0.00 -1.21 -5.04 105.19 101.51 3iwq n GLY 36 Ca -0.17 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 3iwq n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwq s LYS 37 N -3.56 0.71 0.03 1.61 1.02 -0.82 -5.14 119.74 113.59 3iwq s LYS 37 Ca 0.00 -0.28 -0.18 0.00 0.02 0.00 0.00 55.97 55.53 3iwq s LYS 37 Cb 0.00 -0.69 -0.06 0.00 -0.52 0.00 0.00 37.83 36.56 3iwq s LYS 37 CO 0.00 0.15 0.51 -1.25 -0.92 0.00 0.00 175.35 173.84 3iwq s PRO 38 N -0.06 4.13 -0.06 -1.68 0.04 -1.26 -1.05 135.00 135.06 3iwq s PRO 38 Ca 0.01 0.62 0.03 0.00 0.04 0.00 0.00 61.00 61.70 3iwq s PRO 38 Cb -0.05 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.24 3iwq s PRO 38 CO -0.00 0.60 -0.17 0.71 0.04 0.00 0.00 177.00 178.18 3iwq s TYR 39 N -0.89 1.79 0.01 0.56 1.51 0.28 -4.97 117.35 115.64 3iwq s TYR 39 Ca 0.27 -0.63 0.04 0.00 -1.01 0.00 0.00 57.07 55.74 3iwq s TYR 39 Cb -0.18 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.39 3iwq s TYR 39 CO 0.16 -0.27 -0.09 0.71 -1.11 0.00 0.00 175.55 174.96 3iwq s TYR 40 N 0.37 2.83 0.00 2.71 2.02 -1.26 -0.76 117.35 123.26 3iwq s TYR 40 Ca -0.12 -0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.51 3iwq s TYR 40 Cb -0.15 -1.59 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 3iwq s TYR 40 CO 0.04 0.35 -0.02 -0.06 -1.57 0.00 0.00 175.55 174.29 3iwq s PHE 41 N -0.97 0.15 0.01 2.71 0.40 -0.15 -4.99 117.98 115.14 3iwq s PHE 41 Ca 0.16 -0.11 -0.01 0.00 -0.60 0.00 0.00 56.93 56.38 3iwq s PHE 41 Cb -0.11 -0.10 -0.02 0.00 0.51 0.00 0.00 43.02 43.31 3iwq s PHE 41 CO 0.07 -0.03 -0.01 0.95 0.70 0.00 0.00 175.22 176.90 3iwq s THR 42 N -0.28 0.09 -0.02 0.64 -4.23 -1.26 -0.79 115.64 109.78 3iwq s THR 42 Ca -0.02 -0.74 -0.05 0.00 -1.18 0.00 0.00 61.69 59.70 3iwq s THR 42 Cb -0.02 -0.23 0.01 0.00 1.34 0.00 0.00 72.50 73.59 3iwq s THR 42 CO -0.00 -0.41 0.11 0.26 -0.54 0.00 0.00 174.62 174.04 3iwq s TRP 43 N -1.21 -0.04 0.00 3.99 0.51 -0.35 -5.01 118.94 116.83 3iwq s TRP 43 Ca -0.13 0.09 0.00 0.00 -2.12 0.00 0.00 56.10 53.94 3iwq s TRP 43 Cb -0.08 -0.01 0.00 0.00 -0.81 0.00 0.00 33.47 32.57 3iwq s TRP 43 CO -0.01 -0.15 0.00 0.41 -0.51 0.00 0.00 176.95 176.70 3iwq n GLY 44 N 2.37 0.12 3.40 0.98 0.00 -1.26 -1.32 105.19 109.47 3iwq n GLY 44 Ca -0.17 -0.93 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 3iwq n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iwq s TYR 45 N 0.00 2.87 0.16 1.61 1.51 0.90 -0.89 117.35 123.51 3iwq s TYR 45 Ca 0.00 -0.59 -0.04 0.00 -1.01 0.00 0.00 57.07 55.44 3iwq s TYR 45 Cb 0.00 -1.89 -0.00 0.00 -0.11 0.00 0.00 41.96 39.96 3iwq s TYR 45 CO 0.00 -0.19 1.39 0.00 -1.11 0.00 0.00 175.55 175.64 3iwq h ALA 46 N 6.80 0.51 -2.49 3.71 0.00 -0.89 -3.20 119.26 123.70 3iwq h ALA 46 Ca -0.28 -0.63 -0.34 0.00 0.00 0.00 0.00 54.91 53.67 3iwq h ALA 46 Cb 1.20 -0.05 -0.36 0.00 0.00 0.00 0.00 17.79 18.59 3iwq h ALA 46 CO 0.58 0.76 -0.64 0.34 0.00 0.00 0.00 179.25 180.29 3iwq s ASP 47 N -7.01 1.60 0.04 0.00 -1.08 -1.03 -0.95 116.67 108.24 3iwq s ASP 47 Ca -0.06 -0.40 -0.24 0.00 -0.52 0.00 0.00 52.55 51.33 3iwq s ASP 47 Cb 0.10 0.34 -0.17 0.00 -1.46 0.00 0.00 42.92 41.73 3iwq s ASP 47 CO 0.85 -0.35 1.54 0.40 0.52 0.00 0.00 175.17 178.14 3iwq h ILE 48 N 6.31 1.16 -0.47 4.11 2.04 -1.84 -0.17 117.51 128.66 3iwq h ILE 48 Ca -0.17 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.25 3iwq h ILE 48 Cb 1.13 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 3iwq h ILE 48 CO 0.30 0.13 0.23 0.00 0.00 0.00 0.00 178.15 178.81 3iwq h ALA 49 N 0.80 0.59 -0.03 1.87 0.00 -1.97 -2.23 119.26 118.29 3iwq h ALA 49 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iwq h ALA 49 Cb 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3iwq h ALA 49 CO -0.00 -0.13 0.00 1.63 0.00 0.00 0.00 179.25 180.75 3iwq n LYS 50 N -4.91 1.69 -3.52 0.00 5.02 -1.22 -4.95 118.16 110.27 3iwq n LYS 50 Ca 0.03 -1.01 -0.26 0.00 -2.02 0.00 0.00 58.31 55.06 3iwq n LYS 50 Cb 0.13 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.70 3iwq n LYS 50 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3iwq n LYS 51 N 0.23 -5.88 -3.07 1.97 5.02 -0.18 -4.97 118.16 111.29 3iwq n LYS 51 Ca 0.19 0.73 -0.40 0.00 -2.02 0.00 0.00 58.31 56.81 3iwq n LYS 51 Cb 0.36 -5.65 -0.05 0.00 -0.02 0.00 0.00 35.03 29.67 3iwq n LYS 51 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3iwq s GLN 52 N -6.22 4.33 0.59 1.97 -1.52 -0.57 -4.98 119.66 113.25 3iwq s GLN 52 Ca 0.52 0.78 -0.15 0.00 -1.95 0.00 0.00 55.36 54.56 3iwq s GLN 52 Cb -0.25 -3.51 -0.04 0.00 -0.22 0.00 0.00 33.01 28.99 3iwq s GLN 52 CO 0.64 -0.10 1.03 -1.25 -0.25 0.00 0.00 175.29 175.36 3iwq s PRO 53 N 1.40 3.49 0.18 2.91 0.04 -1.26 -0.40 135.00 141.36 3iwq s PRO 53 Ca 0.34 1.04 -0.31 0.00 0.04 0.00 0.00 61.00 62.10 3iwq s PRO 53 Cb -0.17 -2.06 -0.10 0.00 0.04 0.00 0.00 34.50 32.21 3iwq s PRO 53 CO 0.14 -0.66 1.51 0.08 0.04 0.00 0.00 177.00 178.11 3iwq s VAL 54 N -2.68 2.72 0.42 -0.36 1.01 -0.07 -4.19 120.40 117.26 3iwq s VAL 54 Ca 0.60 0.54 0.03 0.00 0.00 0.00 0.00 61.98 63.16 3iwq s VAL 54 Cb -0.13 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 3iwq s VAL 54 CO 0.40 0.05 0.11 0.42 0.00 0.00 0.00 175.10 176.08 3iwq s THR 55 N 0.80 0.72 -1.25 3.92 -4.23 -1.26 -4.67 115.64 109.67 3iwq s THR 55 Ca 0.66 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.34 3iwq s THR 55 Cb -0.42 -2.34 0.23 0.00 1.34 0.00 0.00 72.50 71.31 3iwq s THR 55 CO 0.35 0.00 1.53 0.00 -0.54 0.00 0.00 174.62 175.95 3iwq n GLN 56 N -0.96 0.14 -0.01 3.99 6.02 -1.26 -1.99 117.38 123.31 3iwq n GLN 56 Ca -0.08 0.16 0.11 0.00 -0.01 0.00 0.00 57.00 57.18 3iwq n GLN 56 Cb 0.65 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.51 3iwq n GLN 56 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3iwq n GLN 57 N -1.38 1.98 -2.13 -1.09 1.13 -1.26 -3.80 117.38 110.84 3iwq n GLN 57 Ca 0.06 -1.80 -0.42 0.00 -1.94 0.00 0.00 57.00 52.91 3iwq n GLN 57 Cb 0.16 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 29.07 3iwq n GLN 57 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3iwq s THR 58 N -1.75 3.09 -0.04 5.09 2.01 -0.84 -4.85 115.64 118.35 3iwq s THR 58 Ca 0.26 0.83 -0.22 0.00 0.31 0.00 0.00 61.69 62.86 3iwq s THR 58 Cb 0.18 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 3iwq s THR 58 CO 0.27 0.09 0.66 -0.76 -0.69 0.00 0.00 174.62 174.19 3iwq s LEU 59 N 0.61 4.36 0.12 4.42 1.43 0.52 -4.01 118.68 126.12 3iwq s LEU 59 Ca 0.63 1.18 0.10 0.00 -1.03 0.00 0.00 54.13 55.01 3iwq s LEU 59 Cb -0.38 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 3iwq s LEU 59 CO 0.34 -0.03 -0.23 -0.36 0.23 0.00 0.00 176.35 176.30 3iwq s PHE 60 N 0.41 2.40 -0.06 0.29 0.40 -0.05 -1.56 117.98 119.81 3iwq s PHE 60 Ca 0.35 -0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 56.05 3iwq s PHE 60 Cb -0.18 -1.29 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 3iwq s PHE 60 CO 0.18 0.35 1.30 -1.21 0.70 0.00 0.00 175.22 176.53 3iwq s GLU 61 N -2.06 4.30 0.44 0.44 2.02 -1.26 -1.72 118.70 120.86 3iwq s GLU 61 Ca 0.15 1.79 0.26 0.00 0.02 0.00 0.00 54.97 57.19 3iwq s GLU 61 Cb -0.10 -3.62 0.67 0.00 0.10 0.00 0.00 34.13 31.18 3iwq s GLU 61 CO 0.07 -0.56 1.72 -0.07 0.02 0.00 0.00 175.26 176.45 3iwq h LEU 62 N 8.63 0.00 0.00 1.80 3.38 -1.41 -3.44 115.31 124.28 3iwq h LEU 62 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3iwq h LEU 62 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3iwq h LEU 62 CO 0.91 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.05 3iwq n GLY 63 N 0.81 2.65 0.09 0.83 0.00 -1.24 -2.02 105.19 106.32 3iwq n GLY 63 Ca 0.03 -0.32 0.06 0.00 0.00 0.00 0.00 46.02 45.79 3iwq n GLY 63 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3iwq n SER 64 N 0.56 0.31 0.27 1.61 7.64 -1.25 -0.62 113.62 122.14 3iwq n SER 64 Ca 0.00 0.64 0.16 0.00 1.01 0.00 0.00 58.87 60.68 3iwq n SER 64 Cb 0.00 -0.67 0.91 0.00 -1.01 0.00 0.00 64.21 63.43 3iwq n SER 64 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3iwq h VAL 65 N 0.00 0.46 -0.82 0.44 2.07 -1.47 -0.99 116.25 115.94 3iwq h VAL 65 Ca 0.00 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.72 3iwq h VAL 65 Cb 0.04 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3iwq h VAL 65 CO 0.00 0.00 0.56 0.28 0.02 0.00 0.00 177.57 178.43 3iwq h SER 66 N 0.00 0.23 -0.20 0.57 0.02 -1.06 -0.96 113.55 112.16 3iwq h SER 66 Ca 0.03 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3iwq h SER 66 Cb 0.18 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3iwq h SER 66 CO -0.00 0.10 0.18 0.11 -1.14 0.00 0.00 176.83 176.08 3iwq h LYS 67 N 0.24 0.00 -0.60 3.45 1.57 -1.31 -1.33 116.57 118.59 3iwq h LYS 67 Ca 0.41 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 59.12 3iwq h LYS 67 Cb 1.24 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.53 3iwq h LYS 67 CO -0.10 0.00 0.09 1.79 -0.57 0.00 0.00 179.45 180.66 3iwq h THR 68 N 0.00 1.26 -0.63 -0.16 1.35 -1.35 0.98 112.91 114.36 3iwq h THR 68 Ca 0.09 -1.01 -0.01 0.00 -0.55 0.00 0.00 66.41 64.93 3iwq h THR 68 Cb 0.45 0.74 -0.03 0.00 -1.73 0.00 0.00 68.15 67.58 3iwq h THR 68 CO -0.00 0.37 0.34 -0.26 -0.25 0.00 0.00 175.52 175.72 3iwq h PHE 69 N 0.91 0.87 -0.73 4.73 0.04 -1.39 -1.72 116.94 119.64 3iwq h PHE 69 Ca 0.18 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.89 3iwq h PHE 69 Cb 0.44 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 3iwq h PHE 69 CO 0.03 0.63 0.30 1.15 -0.60 0.00 0.00 178.31 179.82 3iwq h THR 70 N 0.86 1.25 -0.49 -1.55 2.02 -1.16 0.40 112.91 114.23 3iwq h THR 70 Ca 0.22 -0.78 -0.07 0.00 0.77 0.00 0.00 66.41 66.55 3iwq h THR 70 Cb 0.05 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.84 3iwq h THR 70 CO -0.03 0.31 0.03 1.23 0.37 0.00 0.00 175.52 177.43 3iwq h GLY 71 N 1.04 0.92 1.01 2.16 0.00 -0.63 0.21 103.07 107.78 3iwq h GLY 71 Ca 0.24 -0.65 -0.12 0.00 0.00 0.00 0.00 47.33 46.80 3iwq h GLY 71 CO -0.02 0.60 -0.24 -2.08 0.00 0.00 0.00 176.54 174.81 3iwq h VAL 72 N 0.72 1.29 -0.66 4.60 2.07 -1.02 -0.56 116.25 122.69 3iwq h VAL 72 Ca 0.14 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.28 3iwq h VAL 72 Cb 0.47 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3iwq h VAL 72 CO 0.02 0.46 0.42 0.25 0.02 0.00 0.00 177.57 178.74 3iwq h LEU 73 N 0.58 0.77 -0.21 2.57 5.85 -0.70 0.12 115.31 124.28 3iwq h LEU 73 Ca 0.07 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3iwq h LEU 73 Cb 0.80 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 3iwq h LEU 73 CO 0.06 0.57 -0.08 1.23 -0.34 0.00 0.00 178.44 179.88 3iwq h GLY 74 N 0.89 0.11 0.64 3.75 0.00 -0.82 -1.09 103.07 106.55 3iwq h GLY 74 Ca 0.24 0.11 0.08 0.00 0.00 0.00 0.00 47.33 47.76 3iwq h GLY 74 CO -0.05 -0.11 0.61 -1.33 0.00 0.00 0.00 176.54 175.66 3iwq h GLY 75 N -0.05 1.50 0.99 4.60 0.00 -0.56 0.18 103.07 109.72 3iwq h GLY 75 Ca 0.11 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3iwq h GLY 75 CO -0.25 0.26 0.21 -1.80 0.00 0.00 0.00 176.54 174.96 3iwq h ASP 76 N 1.05 0.81 -0.50 0.19 3.58 -0.46 -0.52 116.42 120.57 3iwq h ASP 76 Ca 0.44 -0.18 -0.06 0.00 0.42 0.00 0.00 57.03 57.65 3iwq h ASP 76 Cb 0.27 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 3iwq h ASP 76 CO -0.21 0.77 0.11 0.00 -2.88 0.00 0.00 179.24 177.04 3iwq h ALA 77 N 1.07 1.15 0.23 -0.78 0.00 -0.17 -0.03 119.26 120.72 3iwq h ALA 77 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3iwq h ALA 77 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3iwq h ALA 77 CO -0.01 0.57 -0.11 0.82 0.00 0.00 0.00 179.25 180.52 3iwq h ILE 78 N 0.83 0.78 -0.41 0.00 2.04 -0.70 -0.90 117.51 119.16 3iwq h ILE 78 Ca 0.18 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 66.02 3iwq h ILE 78 Cb 0.34 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3iwq h ILE 78 CO 0.00 0.01 0.28 0.00 0.00 0.00 0.00 178.15 178.44 3iwq h ALA 79 N 0.42 1.92 0.00 1.87 0.00 -0.67 0.30 119.26 123.09 3iwq h ALA 79 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iwq h ALA 79 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3iwq h ALA 79 CO 0.05 0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.86 3iwq n ARG 80 N -4.48 0.04 -1.44 0.00 1.74 -0.06 -4.89 116.66 107.56 3iwq n ARG 80 Ca 0.05 0.17 -0.11 0.00 -0.77 0.00 0.00 57.85 57.18 3iwq n ARG 80 Cb 0.21 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 3iwq n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iwq n GLY 81 N 0.43 1.06 0.18 -0.13 0.00 0.10 -4.93 105.19 101.91 3iwq n GLY 81 Ca 0.05 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 3iwq n GLY 81 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iwq h GLU 82 N 0.00 0.56 -4.69 1.61 5.08 -1.35 -3.47 114.58 112.31 3iwq h GLU 82 Ca -0.23 -0.54 -0.27 0.00 -1.00 0.00 0.00 59.36 57.32 3iwq h GLU 82 Cb 0.79 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 30.03 3iwq h GLU 82 CO 0.33 1.17 -0.65 0.96 -1.00 0.00 0.00 179.01 179.82 3iwq s ILE 83 N -3.43 0.43 0.02 3.13 -4.36 -1.20 -4.84 121.20 110.96 3iwq s ILE 83 Ca -0.08 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.38 3iwq s ILE 83 Cb 0.09 -2.23 -0.02 0.00 1.25 0.00 0.00 42.46 41.55 3iwq s ILE 83 CO 0.88 -0.34 -0.09 -0.54 0.24 0.00 0.00 174.94 175.09 3iwq s LYS 84 N -4.00 0.65 0.55 0.37 1.02 -1.26 -4.24 119.74 112.83 3iwq s LYS 84 Ca 0.28 -0.54 0.33 0.00 0.02 0.00 0.00 55.97 56.06 3iwq s LYS 84 Cb 0.07 -0.58 1.38 0.00 -0.52 0.00 0.00 37.83 38.18 3iwq s LYS 84 CO 0.06 0.14 1.99 -0.07 -0.92 0.00 0.00 175.35 176.55 3iwq h LEU 85 N 5.23 0.00 0.00 3.17 3.38 -1.98 -1.51 115.31 123.60 3iwq h LEU 85 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3iwq h LEU 85 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3iwq h LEU 85 CO 0.45 0.02 -0.08 -1.54 0.09 0.00 0.00 178.44 177.38 3iwq n SER 86 N -3.13 0.08 -4.77 -0.43 3.41 -1.26 -0.93 113.62 106.60 3iwq n SER 86 Ca 0.00 0.38 -0.41 0.00 -0.26 0.00 0.00 58.87 58.59 3iwq n SER 86 Cb 0.30 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 3iwq n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3iwq s ASP 87 N -3.01 6.77 0.48 4.04 1.01 -0.57 -4.83 116.67 120.57 3iwq s ASP 87 Ca 0.14 2.69 -0.24 0.00 0.71 0.00 0.00 52.55 55.84 3iwq s ASP 87 Cb 0.19 -2.65 -0.07 0.00 1.01 0.00 0.00 42.92 41.40 3iwq s ASP 87 CO 0.56 -0.54 1.41 -2.84 0.21 0.00 0.00 175.17 173.97 3iwq s PRO 88 N -1.77 3.50 0.30 8.23 0.02 -1.26 -1.60 135.00 142.41 3iwq s PRO 88 Ca 0.49 2.38 0.02 0.00 0.02 0.00 0.00 61.00 63.91 3iwq s PRO 88 Cb -0.40 -2.53 0.58 0.00 0.02 0.00 0.00 34.50 32.17 3iwq s PRO 88 CO 0.53 -0.95 1.87 1.15 -0.33 0.00 0.00 177.00 179.27 3iwq h THR 89 N 2.02 0.98 0.00 0.99 2.02 -1.09 -1.40 112.91 116.43 3iwq h THR 89 Ca -0.51 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3iwq h THR 89 Cb 1.28 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3iwq h THR 89 CO 0.60 0.18 0.00 0.71 0.37 0.00 0.00 175.52 177.38 3iwq h THR 90 N 0.97 0.00 -0.08 3.16 1.35 -1.80 -2.32 112.91 114.19 3iwq h THR 90 Ca 0.44 -0.23 0.02 0.00 -0.55 0.00 0.00 66.41 66.10 3iwq h THR 90 Cb 0.39 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 67.78 3iwq h THR 90 CO -0.20 0.00 0.06 0.50 -0.25 0.00 0.00 175.52 175.63 3iwq h LYS 91 N 0.00 0.00 -0.01 4.72 3.64 -1.62 -2.59 116.57 120.72 3iwq h LYS 91 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3iwq h LYS 91 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3iwq h LYS 91 CO 0.00 0.00 -0.21 0.66 -2.27 0.00 0.00 179.45 177.63 3iwq n TYR 92 N -4.41 0.00 -3.19 1.91 4.02 -0.89 -4.70 117.16 109.91 3iwq n TYR 92 Ca -0.01 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.65 3iwq n TYR 92 Cb 0.17 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.43 3iwq n TYR 92 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 3iwq n TRP 93 N -0.17 -0.85 0.32 -0.72 -0.00 -1.09 -4.98 117.44 109.94 3iwq n TRP 93 Ca 0.05 -3.29 0.19 0.00 -0.00 0.00 0.00 57.50 54.45 3iwq n TRP 93 Cb 0.23 0.01 1.08 0.00 -0.00 0.00 0.00 31.31 32.63 3iwq n TRP 93 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3iwq h PRO 94 N 4.41 0.00 0.00 5.87 0.13 -1.75 -0.62 132.00 140.05 3iwq h PRO 94 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3iwq h PRO 94 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3iwq h PRO 94 CO 0.42 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.12 3iwq h GLU 95 N 0.00 0.00 -5.57 0.86 3.07 -1.94 -3.36 114.58 107.64 3iwq h GLU 95 Ca 0.00 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.18 3iwq h GLU 95 Cb 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.80 3iwq h GLU 95 CO -0.00 0.00 1.81 -1.17 -1.40 0.00 0.00 179.01 178.25 3iwq s LEU 96 N -5.05 4.16 0.00 1.33 2.96 -0.24 -4.77 118.68 117.08 3iwq s LEU 96 Ca 0.00 -2.41 0.22 0.00 -0.22 0.00 0.00 54.13 51.72 3iwq s LEU 96 Cb 0.09 -2.52 -0.07 0.00 0.50 0.00 0.00 46.19 44.18 3iwq s LEU 96 CO 0.36 -1.11 0.97 0.35 -1.32 0.00 0.00 176.35 175.60 3iwq n THR 97 N 5.98 0.02 -1.79 3.68 -2.24 -1.26 -4.86 114.28 113.81 3iwq n THR 97 Ca 0.42 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.74 3iwq n THR 97 Cb 0.46 0.69 0.03 0.00 -2.10 0.00 0.00 70.33 69.41 3iwq n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iwq s ALA 98 N -3.06 3.04 0.25 6.98 0.00 -1.26 -4.90 121.76 122.81 3iwq s ALA 98 Ca 0.07 1.41 0.22 0.00 0.00 0.00 0.00 51.96 53.65 3iwq s ALA 98 Cb 0.16 -3.58 0.96 0.00 0.00 0.00 0.00 23.12 20.65 3iwq s ALA 98 CO 0.83 -1.28 1.86 1.57 0.00 0.00 0.00 175.76 178.74 3iwq h LYS 99 N 1.91 0.00 0.00 0.00 2.10 -1.93 -2.86 116.57 115.79 3iwq h LYS 99 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 3iwq h LYS 99 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3iwq h LYS 99 CO 0.59 0.27 0.00 -0.56 -2.00 0.00 0.00 179.45 177.75 3iwq h GLN 100 N 0.00 0.00 0.00 0.07 -0.00 -1.93 -2.43 115.11 110.82 3iwq h GLN 100 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3iwq h GLN 100 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.15 3iwq h GLN 100 CO 0.03 0.00 0.00 0.91 -0.00 0.00 0.00 178.83 179.77 3iwq n TRP 101 N -2.90 0.90 -1.67 0.06 7.02 -1.08 -4.70 117.44 115.07 3iwq n TRP 101 Ca -0.02 0.27 -0.43 0.00 -1.02 0.00 0.00 57.50 56.31 3iwq n TRP 101 Cb 0.11 -0.95 -0.03 0.00 -2.42 0.00 0.00 31.31 28.02 3iwq n TRP 101 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3iwq n ASN 102 N -2.25 4.05 0.00 -0.99 4.13 -0.92 -1.55 115.26 117.73 3iwq n ASN 102 Ca 0.05 0.93 0.00 0.00 1.68 0.00 0.00 54.58 57.24 3iwq n ASN 102 Cb 0.40 -1.51 0.00 0.00 -1.54 0.00 0.00 39.78 37.13 3iwq n ASN 102 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iwq n GLY 103 N 4.47 0.86 3.54 7.41 0.00 -1.26 -5.01 105.19 115.21 3iwq n GLY 103 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3iwq n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iwq s ILE 104 N -2.52 4.76 0.51 -0.61 1.01 -0.60 -4.88 121.20 118.88 3iwq s ILE 104 Ca 0.00 0.39 0.02 0.00 0.00 0.00 0.00 60.65 61.06 3iwq s ILE 104 Cb 0.00 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.27 3iwq s ILE 104 CO 0.00 -0.58 0.72 0.42 0.00 0.00 0.00 174.94 175.50 3iwq s THR 105 N 3.01 2.89 0.46 2.92 -4.23 -1.26 -0.53 115.64 118.90 3iwq s THR 105 Ca 0.27 -0.71 0.12 0.00 -1.18 0.00 0.00 61.69 60.18 3iwq s THR 105 Cb -0.13 -3.06 0.24 0.00 1.34 0.00 0.00 72.50 70.89 3iwq s THR 105 CO 0.20 -0.04 2.07 -0.07 -0.54 0.00 0.00 174.62 176.24 3iwq h LEU 106 N 0.22 0.19 -0.10 4.79 3.38 -1.27 -1.53 115.31 120.99 3iwq h LEU 106 Ca -0.42 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.57 3iwq h LEU 106 Cb 1.29 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 3iwq h LEU 106 CO 0.51 0.19 -0.08 0.25 0.09 0.00 0.00 178.44 179.40 3iwq h LEU 107 N 0.21 -0.26 -0.46 1.67 5.85 -1.31 -0.65 115.31 120.36 3iwq h LEU 107 Ca 0.06 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.91 3iwq h LEU 107 Cb 0.07 0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3iwq h LEU 107 CO -0.00 -0.11 0.09 0.45 -0.34 0.00 0.00 178.44 178.52 3iwq h HIS 108 N -0.10 0.15 -0.24 1.25 3.86 -1.57 -1.37 115.15 117.13 3iwq h HIS 108 Ca 0.07 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3iwq h HIS 108 Cb 0.20 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 3iwq h HIS 108 CO -0.20 0.00 0.16 -0.07 0.86 0.00 0.00 177.93 178.68 3iwq h LEU 109 N 0.22 0.28 -1.88 2.43 3.38 -1.21 -0.69 115.31 117.86 3iwq h LEU 109 Ca 0.23 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3iwq h LEU 109 Cb 0.29 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3iwq h LEU 109 CO -0.30 0.21 -0.13 0.00 0.09 0.00 0.00 178.44 178.31 3iwq h ALA 110 N 1.08 1.37 -0.11 1.53 0.00 -0.76 -2.78 119.26 119.58 3iwq h ALA 110 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iwq h ALA 110 Cb -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3iwq h ALA 110 CO -0.02 0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.64 3iwq n THR 111 N -3.78 1.15 -1.92 0.00 -2.24 -0.55 -4.51 114.28 102.44 3iwq n THR 111 Ca -0.02 -1.16 -0.13 0.00 -2.27 0.00 0.00 64.05 60.47 3iwq n THR 111 Cb 0.23 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 3iwq n THR 111 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3iwq n TYR 112 N -0.30 -0.38 -1.15 4.78 4.01 -0.76 -4.84 117.16 118.52 3iwq n TYR 112 Ca 0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.83 3iwq n TYR 112 Cb 0.37 -2.65 0.24 0.00 -0.31 0.00 0.00 39.34 36.99 3iwq n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3iwq n THR 113 N -3.49 2.42 0.43 -0.72 -2.24 -0.34 -1.45 114.28 108.88 3iwq n THR 113 Ca -0.14 -2.16 0.13 0.00 -2.27 0.00 0.00 64.05 59.61 3iwq n THR 113 Cb 0.54 -0.29 0.48 0.00 -2.10 0.00 0.00 70.33 68.97 3iwq n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iwq h ALA 114 N 1.51 1.00 0.00 6.98 0.00 -1.80 0.93 119.26 127.88 3iwq h ALA 114 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iwq h ALA 114 Cb 1.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3iwq h ALA 114 CO 0.32 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.98 3iwq n GLY 115 N 0.42 1.79 0.00 0.00 0.00 -1.26 -4.17 105.19 101.97 3iwq n GLY 115 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3iwq n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwq n GLY 116 N 0.00 1.22 3.70 -0.02 0.00 -1.26 -1.78 105.19 107.05 3iwq n GLY 116 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3iwq n GLY 116 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3iwq n LEU 117 N 0.00 4.73 -4.81 0.99 4.77 -1.26 -4.78 117.00 116.64 3iwq n LEU 117 Ca 0.00 0.96 -0.32 0.00 -0.03 0.00 0.00 56.01 56.62 3iwq n LEU 117 Cb 0.00 -1.51 0.02 0.00 -2.33 0.00 0.00 43.42 39.60 3iwq n LEU 117 CO 0.00 -0.93 0.71 -2.16 -1.33 0.00 0.00 177.39 173.68 3iwq s PRO 118 N -2.71 3.28 0.24 3.23 0.04 -1.26 -4.79 135.00 133.03 3iwq s PRO 118 Ca 0.71 1.13 -0.05 0.00 0.04 0.00 0.00 61.00 62.82 3iwq s PRO 118 Cb -0.44 -2.03 0.37 0.00 0.04 0.00 0.00 34.50 32.43 3iwq s PRO 118 CO 0.50 -0.83 1.81 1.25 0.04 0.00 0.00 177.00 179.77 3iwq h LEU 119 N 0.21 0.65 -8.72 -3.56 7.12 -1.92 -3.20 115.31 105.89 3iwq h LEU 119 Ca -0.46 0.04 -0.66 0.00 0.13 0.00 0.00 57.88 56.93 3iwq h LEU 119 Cb 1.21 -0.08 -0.25 0.00 -0.53 0.00 0.00 40.66 41.01 3iwq h LEU 119 CO 0.58 0.38 -0.87 -1.10 -0.13 0.00 0.00 178.44 177.30 3iwq s GLN 120 N -6.04 1.61 0.12 1.25 -1.52 -1.26 -0.85 119.66 112.96 3iwq s GLN 120 Ca -0.12 -1.11 -0.30 0.00 -1.95 0.00 0.00 55.36 51.87 3iwq s GLN 120 Cb 0.19 -1.83 -0.06 0.00 -0.22 0.00 0.00 33.01 31.08 3iwq s GLN 120 CO 0.78 0.46 1.11 0.08 -0.25 0.00 0.00 175.29 177.47 3iwq s VAL 121 N -0.86 4.05 0.57 1.09 1.01 -1.26 -4.85 120.40 120.15 3iwq s VAL 121 Ca 0.11 1.64 -0.20 0.00 0.00 0.00 0.00 61.98 63.53 3iwq s VAL 121 Cb -0.10 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 3iwq s VAL 121 CO 0.03 0.22 1.08 -2.65 0.00 0.00 0.00 175.10 173.78 3iwq n PRO 122 N 3.01 1.15 -0.19 2.72 -0.02 -1.26 -4.88 135.00 135.53 3iwq n PRO 122 Ca 0.05 0.43 0.10 0.00 -2.02 0.00 0.00 63.50 62.06 3iwq n PRO 122 Cb 0.47 -2.27 0.40 0.00 -0.02 0.00 0.00 33.50 32.08 3iwq n PRO 122 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3iwq h ASP 123 N 0.83 0.58 -0.20 2.55 3.32 -2.00 -1.83 116.42 119.67 3iwq h ASP 123 Ca -0.49 0.02 0.06 0.00 0.02 0.00 0.00 57.03 56.64 3iwq h ASP 123 Cb 1.35 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3iwq h ASP 123 CO 0.53 0.34 0.18 -0.33 -1.72 0.00 0.00 179.24 178.24 3iwq h GLU 124 N 0.64 0.00 -6.42 3.56 3.07 -2.03 -3.42 114.58 109.98 3iwq h GLU 124 Ca 0.36 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.65 3iwq h GLU 124 Cb 0.52 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.37 3iwq h GLU 124 CO -0.13 0.00 0.87 0.08 -1.40 0.00 0.00 179.01 178.43 3iwq s VAL 125 N -4.83 4.42 0.15 3.13 1.01 -0.69 -4.82 120.40 118.77 3iwq s VAL 125 Ca -0.05 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.53 3iwq s VAL 125 Cb 0.17 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 32.08 3iwq s VAL 125 CO 0.62 -0.63 0.00 0.29 0.00 0.00 0.00 175.10 175.38 3iwq n LYS 126 N 7.15 0.00 -1.56 2.72 5.02 -1.26 -4.20 118.16 126.02 3iwq n LYS 126 Ca 0.12 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.12 3iwq n LYS 126 Cb 0.48 -0.24 0.11 0.00 -0.02 0.00 0.00 35.03 35.36 3iwq n LYS 126 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3iwq s SER 127 N -5.34 4.15 0.30 4.39 1.04 -1.26 -4.86 113.70 112.12 3iwq s SER 127 Ca 0.00 1.16 -0.01 0.00 0.48 0.00 0.00 55.95 57.58 3iwq s SER 127 Cb 0.00 -1.84 0.45 0.00 0.10 0.00 0.00 66.02 64.74 3iwq s SER 127 CO 0.00 -2.17 1.90 0.77 0.98 0.00 0.00 173.24 174.72 3iwq h SER 128 N -1.23 0.82 -0.36 7.02 4.64 -1.99 -1.70 113.55 120.75 3iwq h SER 128 Ca -0.48 -0.09 -0.11 0.00 -0.47 0.00 0.00 61.79 60.64 3iwq h SER 128 Cb 1.29 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.16 3iwq h SER 128 CO 0.61 0.70 -0.18 0.77 -0.87 0.00 0.00 176.83 177.85 3iwq h SER 129 N 0.91 0.84 -0.95 4.97 4.64 -2.00 -2.02 113.55 119.94 3iwq h SER 129 Ca 0.22 -0.29 0.05 0.00 -0.47 0.00 0.00 61.79 61.30 3iwq h SER 129 Cb 0.10 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 61.90 3iwq h SER 129 CO -0.03 1.01 0.61 0.44 -0.87 0.00 0.00 176.83 177.99 3iwq h ASP 130 N 0.74 0.99 -0.19 4.97 3.32 -1.83 -2.03 116.42 122.39 3iwq h ASP 130 Ca 0.11 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 3iwq h ASP 130 Cb 0.70 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.04 3iwq h ASP 130 CO 0.05 0.66 -0.35 0.25 -1.72 0.00 0.00 179.24 178.13 3iwq h LEU 131 N 1.15 0.63 -0.73 1.55 5.85 -1.13 -0.90 115.31 121.74 3iwq h LEU 131 Ca 0.39 -0.54 0.06 0.00 0.84 0.00 0.00 57.88 58.63 3iwq h LEU 131 Cb 0.08 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3iwq h LEU 131 CO -0.15 1.06 0.42 0.25 -0.34 0.00 0.00 178.44 179.68 3iwq h LEU 132 N 0.23 0.64 -0.55 2.25 5.85 -1.25 -2.09 115.31 120.40 3iwq h LEU 132 Ca 0.01 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 3iwq h LEU 132 Cb 0.94 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 3iwq h LEU 132 CO 0.08 0.41 0.06 -0.09 -0.34 0.00 0.00 178.44 178.56 3iwq h ARG 133 N 0.78 0.93 -0.04 1.25 2.43 -1.18 -0.85 114.38 117.70 3iwq h ARG 133 Ca 0.32 -0.26 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3iwq h ARG 133 Cb 0.18 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3iwq h ARG 133 CO -0.18 0.91 -0.12 0.35 -1.51 0.00 0.00 179.97 179.42 3iwq h PHE 134 N 0.81 -0.31 -0.10 2.20 3.57 -0.77 -1.35 116.94 120.99 3iwq h PHE 134 Ca 0.16 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 3iwq h PHE 134 Cb 0.45 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3iwq h PHE 134 CO 0.03 -0.18 -0.47 1.88 -2.23 0.00 0.00 178.31 177.34 3iwq h TYR 135 N -0.19 0.31 -0.60 0.41 0.05 -1.26 -1.97 116.97 113.72 3iwq h TYR 135 Ca 0.06 -0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.69 3iwq h TYR 135 Cb 0.26 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 3iwq h TYR 135 CO -0.20 0.68 0.17 1.96 -1.05 0.00 0.00 178.16 179.72 3iwq h GLN 136 N 0.21 0.92 0.00 4.88 1.08 -1.01 -3.19 115.11 118.00 3iwq h GLN 136 Ca 0.01 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 3iwq h GLN 136 Cb 0.91 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.20 3iwq h GLN 136 CO 0.07 0.80 -0.46 -0.91 -0.95 0.00 0.00 178.83 177.39 3iwq h ASN 137 N 0.89 0.00 -2.56 1.46 -0.26 -0.97 -3.46 115.58 110.68 3iwq h ASN 137 Ca 0.20 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.41 3iwq h ASN 137 Cb 0.28 0.00 0.05 0.00 -1.06 0.00 0.00 38.32 37.59 3iwq h ASN 137 CO -0.01 0.03 1.04 1.87 -1.06 0.00 0.00 177.43 179.31 3iwq n TRP 138 N -2.93 2.67 -3.83 1.19 -0.00 -0.76 -4.99 117.44 108.79 3iwq n TRP 138 Ca 0.02 -0.03 -0.36 0.00 -0.00 0.00 0.00 57.50 57.13 3iwq n TRP 138 Cb 0.55 -2.69 -0.13 0.00 -0.00 0.00 0.00 31.31 29.04 3iwq n TRP 138 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 3iwq s GLN 139 N 1.81 2.51 0.37 5.87 -1.52 -1.26 -4.97 119.66 122.47 3iwq s GLN 139 Ca 0.78 -1.25 -0.28 0.00 -1.95 0.00 0.00 55.36 52.66 3iwq s GLN 139 Cb -0.51 -3.34 -0.11 0.00 -0.22 0.00 0.00 33.01 28.84 3iwq s GLN 139 CO 0.35 -0.66 1.48 -1.25 -0.25 0.00 0.00 175.29 174.96 3iwq s PRO 140 N 1.32 4.12 0.25 2.91 0.04 -1.26 -4.91 135.00 137.47 3iwq s PRO 140 Ca -0.03 2.55 0.13 0.00 0.04 0.00 0.00 61.00 63.70 3iwq s PRO 140 Cb -0.20 -2.98 0.09 0.00 0.04 0.00 0.00 34.50 31.45 3iwq s PRO 140 CO 0.01 -0.52 1.45 0.00 0.04 0.00 0.00 177.00 177.97 3iwq h ALA 141 N 3.10 0.64 -2.77 8.56 0.00 -1.65 -3.47 119.26 123.67 3iwq h ALA 141 Ca -0.51 -0.56 -0.33 0.00 0.00 0.00 0.00 54.91 53.51 3iwq h ALA 141 Cb 1.24 -0.10 -0.18 0.00 0.00 0.00 0.00 17.79 18.75 3iwq h ALA 141 CO 0.65 0.76 -0.74 -1.58 0.00 0.00 0.00 179.25 178.35 3iwq s TRP 142 N -3.00 1.11 0.68 0.00 0.51 -1.10 -5.08 118.94 112.06 3iwq s TRP 142 Ca 0.03 -0.64 -0.17 0.00 -2.12 0.00 0.00 56.10 53.20 3iwq s TRP 142 Cb 0.09 -0.60 0.01 0.00 -0.81 0.00 0.00 33.47 32.15 3iwq s TRP 142 CO 0.76 0.02 1.25 0.00 -0.51 0.00 0.00 176.95 178.47 3iwq s ALA 143 N -2.38 2.27 0.49 0.98 0.00 -1.26 -4.36 121.76 117.51 3iwq s ALA 143 Ca 0.06 1.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.84 3iwq s ALA 143 Cb -0.03 -3.51 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 3iwq s ALA 143 CO 0.00 -1.68 1.36 -2.14 0.00 0.00 0.00 175.76 173.31 3iwq s PRO 144 N -3.59 3.49 -0.35 0.00 0.02 -1.26 -3.39 135.00 129.91 3iwq s PRO 144 Ca 0.79 2.26 0.00 0.00 0.02 0.00 0.00 61.00 64.07 3iwq s PRO 144 Cb -0.33 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 31.71 3iwq s PRO 144 CO 0.41 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.57 3iwq n GLY 145 N 0.64 0.52 0.00 0.52 0.00 0.32 -4.89 105.19 102.31 3iwq n GLY 145 Ca 0.07 -0.86 -0.00 0.00 0.00 0.00 0.00 46.02 45.22 3iwq n GLY 145 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iwq n THR 146 N -3.23 0.06 -4.01 2.61 -2.24 -1.22 -4.86 114.28 101.39 3iwq n THR 146 Ca -0.04 -0.03 -0.11 0.00 -2.27 0.00 0.00 64.05 61.60 3iwq n THR 146 Cb 0.24 -0.86 -0.12 0.00 -2.10 0.00 0.00 70.33 67.50 3iwq n THR 146 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3iwq s GLN 147 N -2.02 0.36 -0.21 -0.78 -0.21 -1.26 -2.07 119.66 113.47 3iwq s GLN 147 Ca -0.01 -0.58 -0.11 0.00 0.02 0.00 0.00 55.36 54.69 3iwq s GLN 147 Cb 0.00 -0.07 -0.05 0.00 1.00 0.00 0.00 33.01 33.89 3iwq s GLN 147 CO 0.03 -0.00 0.16 0.50 -2.12 0.00 0.00 175.29 173.86 3iwq s ARG 148 N -1.29 4.15 -0.26 2.91 3.52 0.13 -4.33 118.95 123.79 3iwq s ARG 148 Ca -0.11 -0.21 -0.02 0.00 -0.13 0.00 0.00 55.73 55.25 3iwq s ARG 148 Cb -0.09 -3.47 0.08 0.00 -1.56 0.00 0.00 34.95 29.92 3iwq s ARG 148 CO -0.00 0.20 0.08 -1.17 -0.81 0.00 0.00 175.30 173.59 3iwq s LEU 149 N 0.65 1.50 -0.01 -0.88 2.96 -0.53 -1.67 118.68 120.71 3iwq s LEU 149 Ca 0.09 -1.24 -0.37 0.00 -0.22 0.00 0.00 54.13 52.38 3iwq s LEU 149 Cb -0.12 -0.66 -0.16 0.00 0.50 0.00 0.00 46.19 45.75 3iwq s LEU 149 CO 0.01 -0.37 1.53 0.00 -1.32 0.00 0.00 176.35 176.20 3iwq n TYR 150 N 5.00 1.85 -3.67 5.38 4.19 -1.26 -4.79 117.16 123.86 3iwq n TYR 150 Ca -0.06 0.49 -0.09 0.00 3.31 0.00 0.00 57.90 61.56 3iwq n TYR 150 Cb 0.44 -2.43 -0.09 0.00 0.49 0.00 0.00 39.34 37.75 3iwq n TYR 150 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3iwq s ALA 151 N 1.65 -1.24 0.32 2.98 0.00 -1.26 -4.38 121.76 119.82 3iwq s ALA 151 Ca 0.88 1.66 0.07 0.00 0.00 0.00 0.00 51.96 54.56 3iwq s ALA 151 Cb -0.91 -1.21 0.55 0.00 0.00 0.00 0.00 23.12 21.55 3iwq s ALA 151 CO 0.50 -0.54 1.77 -0.91 0.00 0.00 0.00 175.76 176.58 3iwq h ASN 152 N 7.64 0.26 0.89 0.00 2.35 -1.14 -2.90 115.58 122.68 3iwq h ASN 152 Ca -0.26 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3iwq h ASN 152 Cb 1.15 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.45 3iwq h ASN 152 CO 0.19 0.57 0.00 0.77 -1.65 0.00 0.00 177.43 177.31 3iwq h SER 153 N 0.23 0.00 0.00 5.81 4.64 -1.63 0.10 113.55 122.70 3iwq h SER 153 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3iwq h SER 153 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3iwq h SER 153 CO 0.05 0.00 -0.19 -1.28 -0.87 0.00 0.00 176.83 174.54 3iwq h SER 154 N 0.00 0.00 0.17 4.97 0.87 -1.77 -3.22 113.55 114.58 3iwq h SER 154 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 3iwq h SER 154 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3iwq h SER 154 CO 0.00 0.30 -0.17 -0.29 -0.53 0.00 0.00 176.83 176.14 3iwq h ILE 155 N -0.40 1.11 -0.27 2.23 2.10 -1.30 -1.90 117.51 119.08 3iwq h ILE 155 Ca 0.00 -0.58 0.01 0.00 1.08 0.00 0.00 64.86 65.37 3iwq h ILE 155 Cb 0.19 1.32 -0.02 0.00 -1.09 0.00 0.00 36.82 37.21 3iwq h ILE 155 CO 0.00 0.17 0.16 1.23 -1.08 0.00 0.00 178.15 178.62 3iwq h GLY 156 N 0.52 0.37 1.32 8.18 0.00 -1.16 -0.35 103.07 111.95 3iwq h GLY 156 Ca -0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 3iwq h GLY 156 CO 0.02 0.10 -0.18 -2.00 0.00 0.00 0.00 176.54 174.48 3iwq h LEU 157 N 0.32 0.80 -0.52 3.11 5.85 -1.46 -1.87 115.31 121.55 3iwq h LEU 157 Ca 0.11 -0.27 0.08 0.00 0.84 0.00 0.00 57.88 58.64 3iwq h LEU 157 Cb 0.00 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.75 3iwq h LEU 157 CO -0.05 0.98 0.14 0.15 -0.34 0.00 0.00 178.44 179.32 3iwq h PHE 158 N 0.70 0.24 -0.40 1.25 3.57 -0.98 0.32 116.94 121.65 3iwq h PHE 158 Ca 0.10 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3iwq h PHE 158 Cb 0.69 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 3iwq h PHE 158 CO 0.04 0.04 0.21 0.78 -2.23 0.00 0.00 178.31 177.15 3iwq h GLY 159 N 0.30 0.60 0.96 2.40 0.00 -0.76 0.15 103.07 106.72 3iwq h GLY 159 Ca 0.26 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 3iwq h GLY 159 CO -0.30 0.27 0.16 0.00 0.00 0.00 0.00 176.54 176.68 3iwq h ALA 160 N 1.06 0.63 -0.24 3.60 0.00 -0.52 -3.03 119.26 120.76 3iwq h ALA 160 Ca 0.14 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 3iwq h ALA 160 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3iwq h ALA 160 CO -0.02 0.27 -0.51 -0.07 0.00 0.00 0.00 179.25 178.92 3iwq h LEU 161 N 0.64 0.74 -2.05 0.00 3.38 -0.83 -3.27 115.31 113.92 3iwq h LEU 161 Ca 0.16 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3iwq h LEU 161 Cb 0.25 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3iwq h LEU 161 CO -0.01 1.12 -0.00 0.00 0.09 0.00 0.00 178.44 179.64 3iwq h ALA 162 N 0.90 1.93 -0.01 1.53 0.00 -0.83 -1.68 119.26 121.10 3iwq h ALA 162 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3iwq h ALA 162 Cb 1.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3iwq h ALA 162 CO 0.10 0.01 -0.16 1.33 0.00 0.00 0.00 179.25 180.53 3iwq n VAL 163 N -4.44 0.00 0.01 0.00 0.24 -1.21 -4.49 118.33 108.43 3iwq n VAL 163 Ca -0.03 -0.19 -0.12 0.00 -2.04 0.00 0.00 64.34 61.96 3iwq n VAL 163 Cb 0.09 0.51 -0.06 0.00 -1.47 0.00 0.00 33.84 32.91 3iwq n VAL 163 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3iwq h LYS 164 N 1.81 0.08 0.00 7.34 1.57 -1.39 -2.57 116.57 123.40 3iwq h LYS 164 Ca 0.00 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3iwq h LYS 164 Cb 0.53 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3iwq h LYS 164 CO 0.00 0.12 -0.01 -1.35 -0.57 0.00 0.00 179.45 177.64 3iwq h PRO 165 N 0.02 0.00 -0.05 3.15 0.11 -1.79 -2.47 132.00 130.97 3iwq h PRO 165 Ca 0.02 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.05 3iwq h PRO 165 Cb 0.06 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 3iwq h PRO 165 CO -0.00 0.01 -0.33 0.66 -0.21 0.00 0.00 178.00 178.13 3iwq h SER 166 N 0.00 0.10 0.00 -2.05 4.64 -1.75 -3.47 113.55 111.03 3iwq h SER 166 Ca -0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3iwq h SER 166 Cb 0.04 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3iwq h SER 166 CO 0.00 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 3iwq n GLY 167 N -0.49 2.66 3.85 -0.77 0.00 -0.93 -5.05 105.19 104.46 3iwq n GLY 167 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3iwq n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwq s LEU 168 N 0.00 3.68 0.85 0.99 1.43 -1.26 -5.06 118.68 119.32 3iwq s LEU 168 Ca 0.00 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 54.44 3iwq s LEU 168 Cb 0.00 -4.37 0.10 0.00 0.03 0.00 0.00 46.19 41.96 3iwq s LEU 168 CO 0.00 -0.53 1.10 -0.94 0.23 0.00 0.00 176.35 176.21 3iwq s SER 169 N -3.09 3.76 0.20 2.29 1.04 -1.26 -4.76 113.70 111.88 3iwq s SER 169 Ca 0.57 1.78 -0.11 0.00 0.48 0.00 0.00 55.95 58.67 3iwq s SER 169 Cb -0.10 -2.42 0.19 0.00 0.10 0.00 0.00 66.02 63.79 3iwq s SER 169 CO 0.31 -2.50 1.80 0.15 0.98 0.00 0.00 173.24 173.98 3iwq h PHE 170 N -1.45 0.61 -0.23 5.02 3.57 -1.94 -1.37 116.94 121.14 3iwq h PHE 170 Ca -0.46 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 3iwq h PHE 170 Cb 1.26 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3iwq h PHE 170 CO 0.51 0.30 0.10 1.49 -2.23 0.00 0.00 178.31 178.48 3iwq h GLU 171 N 0.62 0.34 -0.82 1.11 4.81 -1.99 -0.18 114.58 118.47 3iwq h GLU 171 Ca 0.26 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3iwq h GLU 171 Cb 0.14 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.43 3iwq h GLU 171 CO -0.16 0.36 0.49 1.96 -0.73 0.00 0.00 179.01 180.93 3iwq h GLN 172 N 0.23 1.12 -0.17 1.92 1.08 -1.90 0.08 115.11 117.47 3iwq h GLN 172 Ca 0.08 -0.10 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3iwq h GLN 172 Cb 0.14 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.33 3iwq h GLN 172 CO -0.01 0.79 0.05 0.00 -0.95 0.00 0.00 178.83 178.71 3iwq h ALA 173 N 1.40 0.23 -0.49 3.87 0.00 -1.12 -0.41 119.26 122.74 3iwq h ALA 173 Ca 0.29 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3iwq h ALA 173 Cb -0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3iwq h ALA 173 CO -0.05 -0.15 0.22 1.98 0.00 0.00 0.00 179.25 181.25 3iwq h MET 174 N 0.09 0.42 0.14 0.00 1.85 -0.75 0.12 114.93 116.81 3iwq h MET 174 Ca 0.05 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.11 3iwq h MET 174 Cb 0.24 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.18 3iwq h MET 174 CO -0.00 0.28 -0.07 1.96 -0.40 0.00 0.00 176.91 178.68 3iwq h GLN 175 N 0.43 -0.18 -0.09 0.39 4.20 -0.92 -0.81 115.11 118.13 3iwq h GLN 175 Ca 0.22 0.01 -0.21 0.00 0.06 0.00 0.00 58.65 58.73 3iwq h GLN 175 Cb 0.17 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3iwq h GLN 175 CO -0.18 -0.03 -0.81 1.15 -0.67 0.00 0.00 178.83 178.30 3iwq h THR 176 N -0.30 1.33 0.00 -0.54 2.02 -0.94 0.15 112.91 114.63 3iwq h THR 176 Ca -0.02 -2.12 0.00 0.00 0.77 0.00 0.00 66.41 65.04 3iwq h THR 176 Cb 0.24 2.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.77 3iwq h THR 176 CO 0.03 0.65 -1.72 0.54 0.37 0.00 0.00 175.52 175.40 3iwq n ARG 177 N -3.87 0.52 0.07 6.66 1.74 0.41 -4.40 116.66 117.80 3iwq n ARG 177 Ca -0.07 -0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.88 3iwq n ARG 177 Cb 0.76 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 3iwq n ARG 177 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3iwq n VAL 178 N -2.13 0.95 0.26 1.55 0.31 -0.42 -4.76 118.33 114.10 3iwq n VAL 178 Ca -0.02 0.32 -0.16 0.00 -0.01 0.00 0.00 64.34 64.47 3iwq n VAL 178 Cb 0.52 -1.35 -0.08 0.00 -0.91 0.00 0.00 33.84 32.01 3iwq n VAL 178 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3iwq h PHE 179 N 0.00 -0.59 0.25 3.52 0.04 -1.25 -2.90 116.94 116.02 3iwq h PHE 179 Ca 0.00 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3iwq h PHE 179 Cb 0.00 0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3iwq h PHE 179 CO 0.00 -0.32 -0.29 1.96 -0.60 0.00 0.00 178.31 179.06 3iwq h GLN 180 N -0.71 -0.56 -0.28 1.51 4.20 -1.20 -0.23 115.11 117.83 3iwq h GLN 180 Ca -0.06 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.76 3iwq h GLN 180 Cb 0.53 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3iwq h GLN 180 CO 0.11 -0.37 0.24 -1.35 -0.67 0.00 0.00 178.83 176.78 3iwq h PRO 181 N -0.58 0.00 -0.45 1.46 0.11 -1.77 -1.67 132.00 129.09 3iwq h PRO 181 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3iwq h PRO 181 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 3iwq h PRO 181 CO -0.08 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.99 3iwq n LEU 182 N -4.13 3.47 -3.33 2.35 4.77 -1.05 -4.97 117.00 114.11 3iwq n LEU 182 Ca 0.04 -1.65 -0.23 0.00 -0.03 0.00 0.00 56.01 54.13 3iwq n LEU 182 Cb 0.39 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3iwq n LEU 182 CO 0.32 0.79 0.13 0.29 -1.33 0.00 0.00 177.39 177.59 3iwq n LYS 183 N 1.40 -6.54 -3.10 3.23 5.02 -0.63 -4.92 118.16 112.62 3iwq n LYS 183 Ca 0.19 0.87 -0.45 0.00 -2.02 0.00 0.00 58.31 56.91 3iwq n LYS 183 Cb 0.58 -5.84 -0.00 0.00 -0.02 0.00 0.00 35.03 29.74 3iwq n LYS 183 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3iwq s LEU 184 N -7.03 5.60 0.00 -0.35 1.43 -0.17 -4.79 118.68 113.37 3iwq s LEU 184 Ca 0.46 -3.08 0.25 0.00 -1.03 0.00 0.00 54.13 50.73 3iwq s LEU 184 Cb -0.20 -2.32 0.51 0.00 0.03 0.00 0.00 46.19 44.20 3iwq s LEU 184 CO 0.56 -0.61 1.43 0.59 0.23 0.00 0.00 176.35 178.56 3iwq n ASN 185 N 4.64 2.25 -2.41 2.29 3.02 -1.26 -3.81 115.26 119.98 3iwq n ASN 185 Ca 0.30 -1.71 -0.14 0.00 -0.03 0.00 0.00 54.58 53.00 3iwq n ASN 185 Cb 0.42 0.05 0.03 0.00 -0.61 0.00 0.00 39.78 39.68 3iwq n ASN 185 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3iwq n HIS 186 N 0.68 2.13 -4.41 3.10 8.25 -1.26 -5.02 115.22 118.69 3iwq n HIS 186 Ca 0.15 -2.30 -0.30 0.00 -0.26 0.00 0.00 57.72 55.01 3iwq n HIS 186 Cb 0.49 -0.28 -0.17 0.00 1.12 0.00 0.00 29.99 31.15 3iwq n HIS 186 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3iwq s THR 187 N -4.28 1.67 -0.01 1.59 2.01 -1.25 -3.69 115.64 111.68 3iwq s THR 187 Ca 0.40 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.68 3iwq s THR 187 Cb 0.38 -1.52 -0.00 0.00 0.01 0.00 0.00 72.50 71.37 3iwq s THR 187 CO -0.01 0.47 -0.05 0.26 -0.69 0.00 0.00 174.62 174.61 3iwq s TRP 188 N 1.06 0.44 -0.00 4.92 0.52 0.39 -4.97 118.94 121.29 3iwq s TRP 188 Ca -0.04 -0.08 -0.16 0.00 0.02 0.00 0.00 56.10 55.83 3iwq s TRP 188 Cb -0.15 -0.29 -0.34 0.00 -1.15 0.00 0.00 33.47 31.54 3iwq s TRP 188 CO -0.04 -0.02 0.91 0.82 0.02 0.00 0.00 176.95 178.64 3iwq h ILE 189 N 5.09 1.26 -3.12 2.03 2.04 -1.85 0.22 117.51 123.18 3iwq h ILE 189 Ca -0.28 -2.63 -0.65 0.00 1.00 0.00 0.00 64.86 62.30 3iwq h ILE 189 Cb 1.19 3.02 -0.35 0.00 -0.74 0.00 0.00 36.82 39.94 3iwq h ILE 189 CO 0.50 0.79 -0.85 0.20 0.00 0.00 0.00 178.15 178.80 3iwq s ASN 190 N -7.41 3.07 -0.11 1.72 0.01 -1.26 -4.76 114.94 106.19 3iwq s ASN 190 Ca -0.11 -0.64 -0.30 0.00 -0.71 0.00 0.00 52.86 51.10 3iwq s ASN 190 Cb 0.04 -1.39 -0.02 0.00 0.41 0.00 0.00 41.25 40.28 3iwq s ASN 190 CO 0.90 -0.03 1.27 -0.69 -1.51 0.00 0.00 177.10 177.05 3iwq s VAL 191 N 1.34 4.20 0.52 1.60 1.01 -1.26 -5.00 120.40 122.81 3iwq s VAL 191 Ca 0.04 1.49 -0.19 0.00 0.00 0.00 0.00 61.98 63.31 3iwq s VAL 191 Cb -0.13 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 3iwq s VAL 191 CO -0.12 -0.08 1.07 -2.84 0.00 0.00 0.00 175.10 173.13 3iwq s PRO 192 N 3.05 3.60 0.38 2.72 0.02 -1.26 -4.88 135.00 138.63 3iwq s PRO 192 Ca 0.57 1.41 0.16 0.00 0.02 0.00 0.00 61.00 63.15 3iwq s PRO 192 Cb -0.24 -2.06 1.04 0.00 0.02 0.00 0.00 34.50 33.26 3iwq s PRO 192 CO 0.18 -0.60 1.77 -1.35 -0.33 0.00 0.00 177.00 176.67 3iwq h PRO 193 N 1.30 0.44 0.00 5.54 0.11 -2.01 0.21 132.00 137.58 3iwq h PRO 193 Ca -0.49 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 3iwq h PRO 193 Cb 1.23 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3iwq h PRO 193 CO 0.58 0.29 -0.01 0.00 -0.21 0.00 0.00 178.00 178.65 3iwq h ALA 194 N 1.64 1.27 -0.01 -0.75 0.00 -2.03 -2.74 119.26 116.65 3iwq h ALA 194 Ca 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3iwq h ALA 194 Cb 1.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3iwq h ALA 194 CO -0.33 0.02 -0.63 0.39 0.00 0.00 0.00 179.25 178.70 3iwq n GLU 195 N -3.49 1.09 -0.01 0.00 -0.58 0.71 -4.52 120.64 113.84 3iwq n GLU 195 Ca -0.03 -0.53 0.16 0.00 -0.42 0.00 0.00 57.16 56.35 3iwq n GLU 195 Cb 0.10 -1.40 0.62 0.00 -0.57 0.00 0.00 31.44 30.19 3iwq n GLU 195 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3iwq h GLU 196 N 1.25 0.14 0.00 3.49 5.08 -1.31 0.98 114.58 124.20 3iwq h GLU 196 Ca 0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3iwq h GLU 196 Cb 0.58 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3iwq h GLU 196 CO 0.00 0.09 -0.01 1.57 -1.00 0.00 0.00 179.01 179.67 3iwq h LYS 197 N 0.15 0.00 -0.01 2.33 2.10 -1.80 -1.91 116.57 117.43 3iwq h LYS 197 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3iwq h LYS 197 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 3iwq h LYS 197 CO -0.03 0.01 -0.74 0.09 -2.00 0.00 0.00 179.45 176.77 3iwq n ASN 198 N -3.16 1.39 -4.55 7.07 3.02 0.33 -4.92 115.26 114.44 3iwq n ASN 198 Ca -0.02 -1.17 -0.43 0.00 -0.03 0.00 0.00 54.58 52.93 3iwq n ASN 198 Cb 0.12 0.73 -0.04 0.00 -0.61 0.00 0.00 39.78 39.98 3iwq n ASN 198 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3iwq s TYR 199 N -2.78 2.94 0.65 3.10 5.04 -0.72 -0.35 117.35 125.23 3iwq s TYR 199 Ca 0.13 0.29 -0.17 0.00 -2.44 0.00 0.00 57.07 54.88 3iwq s TYR 199 Cb 0.17 -3.87 -0.01 0.00 0.35 0.00 0.00 41.96 38.60 3iwq s TYR 199 CO 0.73 -1.07 1.21 0.00 -1.34 0.00 0.00 175.55 175.08 3iwq s ALA 200 N 3.61 2.39 0.28 3.97 0.00 -0.60 -4.94 121.76 126.45 3iwq s ALA 200 Ca 0.34 0.95 -0.20 0.00 0.00 0.00 0.00 51.96 53.05 3iwq s ALA 200 Cb -0.11 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.47 3iwq s ALA 200 CO 0.25 -1.44 0.79 -1.58 0.00 0.00 0.00 175.76 173.78 3iwq s TRP 201 N -1.77 3.58 0.44 0.00 0.52 -0.12 -4.91 118.94 116.68 3iwq s TRP 201 Ca 0.76 1.46 -0.03 0.00 0.02 0.00 0.00 56.10 58.31 3iwq s TRP 201 Cb -0.30 -2.69 -0.03 0.00 -1.15 0.00 0.00 33.47 29.31 3iwq s TRP 201 CO 0.38 0.23 0.70 0.20 0.02 0.00 0.00 176.95 178.48 3iwq s GLY 202 N -1.80 1.45 -0.15 0.98 0.00 -0.04 -4.81 107.32 102.95 3iwq s GLY 202 Ca 0.48 -0.71 -0.00 0.00 0.00 0.00 0.00 44.72 44.49 3iwq s GLY 202 CO 0.20 -0.58 -0.07 -0.19 0.00 0.00 0.00 173.10 172.47 3iwq s TYR 203 N -2.58 1.70 -0.18 1.90 2.02 -0.83 -0.34 117.35 119.04 3iwq s TYR 203 Ca 0.45 -1.01 0.01 0.00 -0.37 0.00 0.00 57.07 56.15 3iwq s TYR 203 Cb -0.10 -1.32 0.03 0.00 -0.40 0.00 0.00 41.96 40.17 3iwq s TYR 203 CO 0.41 -0.59 -0.15 0.50 -1.57 0.00 0.00 175.55 174.15 3iwq s ARG 204 N 1.64 2.46 -1.53 -0.62 3.52 -0.72 -4.39 118.95 119.30 3iwq s ARG 204 Ca 0.02 -0.78 -0.14 0.00 -0.13 0.00 0.00 55.73 54.70 3iwq s ARG 204 Cb -0.14 -2.40 0.10 0.00 -1.56 0.00 0.00 34.95 30.95 3iwq s ARG 204 CO -0.08 -0.30 0.83 0.39 -0.81 0.00 0.00 175.30 175.33 3iwq n GLU 205 N 4.67 -4.52 -0.92 5.12 1.02 -1.26 -1.38 120.64 123.38 3iwq n GLU 205 Ca -0.17 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 3iwq n GLU 205 Cb 0.48 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.55 3iwq n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iwq n GLY 206 N -1.51 0.52 3.80 0.62 0.00 -1.26 -5.01 105.19 102.35 3iwq n GLY 206 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3iwq n GLY 206 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iwq s LYS 207 N -0.47 3.70 -0.01 1.61 1.02 -0.48 -5.06 119.74 120.05 3iwq s LYS 207 Ca 0.00 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.50 3iwq s LYS 207 Cb 0.00 -3.24 -0.07 0.00 -0.52 0.00 0.00 37.83 34.00 3iwq s LYS 207 CO 0.00 0.58 1.69 0.00 -0.92 0.00 0.00 175.35 176.70 3iwq s ALA 208 N -0.47 3.63 0.03 5.17 0.00 -1.26 -1.75 121.76 127.11 3iwq s ALA 208 Ca 0.12 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.15 3iwq s ALA 208 Cb -0.12 -3.74 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 3iwq s ALA 208 CO 0.02 -1.34 -0.08 0.14 0.00 0.00 0.00 175.76 174.50 3iwq s VAL 209 N 3.73 0.54 0.22 0.00 -7.23 0.54 -4.94 120.40 113.27 3iwq s VAL 209 Ca 0.75 -0.85 0.11 0.00 -1.81 0.00 0.00 61.98 60.18 3iwq s VAL 209 Cb -0.36 -0.57 -0.05 0.00 0.56 0.00 0.00 36.38 35.97 3iwq s VAL 209 CO 0.32 -0.23 -0.20 -1.00 -0.31 0.00 0.00 175.10 173.68 3iwq s HIS 210 N -1.02 2.36 0.40 2.82 3.76 -1.26 -0.86 115.29 121.49 3iwq s HIS 210 Ca -0.06 -0.32 -0.27 0.00 -0.15 0.00 0.00 55.06 54.25 3iwq s HIS 210 Cb -0.08 -1.12 -0.10 0.00 1.11 0.00 0.00 32.58 32.40 3iwq s HIS 210 CO 0.00 0.58 1.43 0.54 -0.85 0.00 0.00 174.74 176.44 3iwq s VAL 211 N -1.97 2.18 0.25 -0.90 0.11 -1.26 -4.99 120.40 113.82 3iwq s VAL 211 Ca 0.25 0.17 -0.13 0.00 -2.93 0.00 0.00 61.98 59.33 3iwq s VAL 211 Cb -0.07 -3.10 -0.08 0.00 -1.53 0.00 0.00 36.38 31.60 3iwq s VAL 211 CO 0.13 0.03 0.64 -0.44 -3.33 0.00 0.00 175.10 172.13 3iwq s SER 212 N -0.34 6.75 0.32 3.54 0.01 -1.26 -5.04 113.70 117.68 3iwq s SER 212 Ca 0.55 1.12 -0.28 0.00 1.31 0.00 0.00 55.95 58.65 3iwq s SER 212 Cb -0.44 -2.31 -0.13 0.00 0.21 0.00 0.00 66.02 63.35 3iwq s SER 212 CO 0.59 -0.09 1.23 -2.65 0.41 0.00 0.00 173.24 172.73 3iwq n PRO 213 N -0.01 1.91 -3.72 12.44 -0.02 -1.26 -5.02 135.00 139.32 3iwq n PRO 213 Ca 0.01 0.67 -0.10 0.00 -2.02 0.00 0.00 63.50 62.06 3iwq n PRO 213 Cb 0.52 -2.20 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 3iwq n PRO 213 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3iwq s GLY 214 N -0.32 -0.14 0.35 -1.23 0.00 -1.26 -5.06 107.32 99.65 3iwq s GLY 214 Ca 0.57 -0.21 -0.28 0.00 0.00 0.00 0.00 44.72 44.79 3iwq s GLY 214 CO 0.61 -0.45 1.39 0.00 0.00 0.00 0.00 173.10 174.65 3iwq s ALA 215 N -3.66 3.54 -0.16 3.20 0.00 -1.26 -1.91 121.76 121.50 3iwq s ALA 215 Ca 0.03 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.39 3iwq s ALA 215 Cb 0.03 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3iwq s ALA 215 CO -0.11 -0.83 0.00 1.28 0.00 0.00 0.00 175.76 176.11 3iwq n LEU 216 N 0.69 0.58 -0.25 0.00 4.77 -1.26 -4.87 117.00 116.66 3iwq n LEU 216 Ca 0.01 0.04 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 3iwq n LEU 216 Cb 0.41 -2.07 0.16 0.00 -2.33 0.00 0.00 43.42 39.59 3iwq n LEU 216 CO 0.61 -0.78 1.05 -2.24 -1.33 0.00 0.00 177.39 174.70 3iwq h ASP 217 N 0.00 0.39 -0.94 -1.43 3.04 -1.79 -1.57 116.42 114.12 3iwq h ASP 217 Ca -0.03 0.08 0.10 0.00 -3.24 0.00 0.00 57.03 53.94 3iwq h ASP 217 Cb 0.80 0.03 -0.08 0.00 -1.04 0.00 0.00 39.33 39.04 3iwq h ASP 217 CO 0.05 0.19 0.58 0.00 -2.04 0.00 0.00 179.24 178.02 3iwq h ALA 218 N 1.49 1.37 0.03 4.15 0.00 -1.89 0.27 119.26 124.67 3iwq h ALA 218 Ca 0.38 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 55.08 3iwq h ALA 218 Cb 0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3iwq h ALA 218 CO -0.33 0.24 -1.08 0.87 0.00 0.00 0.00 179.25 178.95 3iwq h LYS 219 N 0.97 0.06 0.00 0.00 6.56 -1.66 -3.38 116.57 119.12 3iwq h LYS 219 Ca 0.45 -0.10 -0.19 0.00 -1.06 0.00 0.00 60.65 59.75 3iwq h LYS 219 Cb 0.37 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.03 3iwq h LYS 219 CO -0.24 1.04 -1.73 0.00 -2.06 0.00 0.00 179.45 176.47 3iwq n ALA 220 N -2.40 1.76 -1.88 3.86 0.00 -0.72 -4.28 120.51 116.86 3iwq n ALA 220 Ca -0.02 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.73 3iwq n ALA 220 Cb 0.96 0.01 0.00 0.00 0.00 0.00 0.00 19.45 20.42 3iwq n ALA 220 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3iwq n TYR 221 N -2.38 0.00 0.01 0.00 0.18 -0.09 -4.02 117.16 110.86 3iwq n TYR 221 Ca -0.17 0.00 0.09 0.00 1.88 0.00 0.00 57.90 59.70 3iwq n TYR 221 Cb 0.83 0.15 0.19 0.00 -0.38 0.00 0.00 39.34 40.12 3iwq n TYR 221 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3iwq n GLY 222 N 0.00 1.98 3.81 -7.48 0.00 0.75 -3.59 105.19 100.65 3iwq n GLY 222 Ca 0.00 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 3iwq n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iwq s VAL 223 N -1.12 4.59 0.04 1.61 1.01 -1.26 -4.58 120.40 120.69 3iwq s VAL 223 Ca 0.31 1.33 0.09 0.00 0.00 0.00 0.00 61.98 63.71 3iwq s VAL 223 Cb 0.17 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 3iwq s VAL 223 CO 0.23 0.40 -0.25 -0.54 0.00 0.00 0.00 175.10 174.94 3iwq s LYS 224 N -1.50 1.71 0.21 2.72 3.01 0.79 -1.09 119.74 125.58 3iwq s LYS 224 Ca 0.36 -1.06 -0.20 0.00 -1.01 0.00 0.00 55.97 54.07 3iwq s LYS 224 Cb -0.19 -1.86 0.04 0.00 -1.01 0.00 0.00 37.83 34.81 3iwq s LYS 224 CO 0.22 0.48 0.60 0.45 0.51 0.00 0.00 175.35 177.61 3iwq s SER 225 N -1.19 -0.34 0.38 2.83 0.15 -0.70 -0.46 113.70 114.37 3iwq s SER 225 Ca 0.11 -0.40 0.02 0.00 0.70 0.00 0.00 55.95 56.38 3iwq s SER 225 Cb -0.10 0.63 -0.01 0.00 -1.71 0.00 0.00 66.02 64.83 3iwq s SER 225 CO 0.02 -1.12 0.57 0.42 1.20 0.00 0.00 173.24 174.32 3iwq s THR 226 N -3.86 4.38 0.34 6.45 -4.23 -1.24 -0.87 115.64 116.62 3iwq s THR 226 Ca 0.08 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.97 3iwq s THR 226 Cb -0.02 -3.58 0.20 0.00 1.34 0.00 0.00 72.50 70.43 3iwq s THR 226 CO -0.02 -0.34 1.93 -0.29 -0.54 0.00 0.00 174.62 175.35 3iwq h ILE 227 N 0.67 1.18 -0.01 2.99 6.09 -1.73 -1.54 117.51 125.16 3iwq h ILE 227 Ca -0.47 -0.58 -0.00 0.00 -1.37 0.00 0.00 64.86 62.44 3iwq h ILE 227 Cb 1.24 0.67 -0.00 0.00 0.47 0.00 0.00 36.82 39.20 3iwq h ILE 227 CO 0.57 0.22 0.00 -0.33 -3.07 0.00 0.00 178.15 175.55 3iwq h GLU 228 N 0.63 0.02 -0.65 2.19 5.08 -1.94 -0.68 114.58 119.24 3iwq h GLU 228 Ca 0.15 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3iwq h GLU 228 Cb 0.16 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3iwq h GLU 228 CO -0.01 0.26 0.39 -0.44 -1.00 0.00 0.00 179.01 178.20 3iwq h ASP 229 N -0.21 0.77 0.21 1.42 5.19 -1.86 -2.19 116.42 119.75 3iwq h ASP 229 Ca 0.00 -0.04 -0.15 0.00 -0.62 0.00 0.00 57.03 56.22 3iwq h ASP 229 Cb 0.24 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 3iwq h ASP 229 CO 0.00 0.59 -0.59 0.24 -3.12 0.00 0.00 179.24 176.37 3iwq h MET 230 N 0.89 0.38 -0.81 3.56 2.86 -1.12 0.69 114.93 121.37 3iwq h MET 230 Ca 0.23 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3iwq h MET 230 Cb -0.03 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 3iwq h MET 230 CO -0.04 0.85 0.34 0.00 1.06 0.00 0.00 176.91 179.12 3iwq h ALA 231 N 1.09 1.07 -0.60 6.32 0.00 -0.85 -0.64 119.26 125.66 3iwq h ALA 231 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3iwq h ALA 231 Cb 1.11 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3iwq h ALA 231 CO 0.10 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.21 3iwq h ARG 232 N 1.18 0.92 -0.25 0.00 3.08 -0.89 -0.86 114.38 117.55 3iwq h ARG 232 Ca 0.27 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.17 3iwq h ARG 232 Cb 0.19 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.06 3iwq h ARG 232 CO -0.03 0.82 0.00 2.35 -1.07 0.00 0.00 179.97 182.05 3iwq h TRP 233 N 0.84 -0.01 -0.37 3.04 -0.00 -0.57 -0.73 115.95 118.16 3iwq h TRP 233 Ca 0.19 0.02 0.04 0.00 -0.00 0.00 0.00 58.89 59.14 3iwq h TRP 233 Cb 0.28 0.04 -0.04 0.00 -0.00 0.00 0.00 29.16 29.44 3iwq h TRP 233 CO 0.02 -0.04 0.13 0.28 -0.00 0.00 0.00 178.44 178.83 3iwq h VAL 234 N 0.08 0.89 -0.93 2.65 2.07 -0.90 -1.96 116.25 118.16 3iwq h VAL 234 Ca 0.12 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.59 3iwq h VAL 234 Cb 0.15 0.58 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 3iwq h VAL 234 CO -0.20 0.05 0.60 -0.61 0.02 0.00 0.00 177.57 177.44 3iwq h GLN 235 N 0.28 1.10 -0.47 1.57 5.75 -0.88 0.32 115.11 122.79 3iwq h GLN 235 Ca 0.17 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.53 3iwq h GLN 235 Cb 0.15 -0.25 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 3iwq h GLN 235 CO -0.17 0.73 -0.01 0.77 -2.65 0.00 0.00 178.83 177.49 3iwq h SER 236 N 1.14 0.76 1.20 -0.69 0.02 -0.85 -1.67 113.55 113.46 3iwq h SER 236 Ca 0.38 -0.19 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 3iwq h SER 236 Cb 0.07 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 3iwq h SER 236 CO -0.14 0.84 -0.65 0.78 -1.14 0.00 0.00 176.83 176.52 3iwq h ASN 237 N 0.74 0.00 0.14 3.07 2.35 -0.72 -2.82 115.58 118.33 3iwq h ASN 237 Ca 0.14 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 3iwq h ASN 237 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3iwq h ASN 237 CO 0.02 0.65 -0.37 -0.07 -1.65 0.00 0.00 177.43 176.01 3iwq h LEU 238 N 0.00 0.34 -5.94 1.61 3.38 -0.03 -3.39 115.31 111.28 3iwq h LEU 238 Ca -0.01 -0.13 -0.53 0.00 0.09 0.00 0.00 57.88 57.30 3iwq h LEU 238 Cb 1.42 -0.09 -0.40 0.00 0.09 0.00 0.00 40.66 41.67 3iwq h LEU 238 CO 0.08 0.69 -1.06 0.29 0.09 0.00 0.00 178.44 178.53 3iwq n LYS 239 N -4.05 1.26 -0.01 1.13 4.76 -0.66 -4.83 118.16 115.76 3iwq n LYS 239 Ca -0.01 -3.59 0.01 0.00 -2.87 0.00 0.00 58.31 51.85 3iwq n LYS 239 Cb 0.46 -1.64 0.34 0.00 -1.84 0.00 0.00 35.03 32.34 3iwq n LYS 239 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3iwq h PRO 240 N 3.42 0.56 0.00 1.97 0.13 -1.70 -2.14 132.00 134.25 3iwq h PRO 240 Ca 0.10 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3iwq h PRO 240 Cb 0.86 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3iwq h PRO 240 CO 0.55 0.49 0.00 1.28 -0.23 0.00 0.00 178.00 180.09 3iwq n LEU 241 N -4.36 0.00 0.04 1.56 4.77 -1.26 -1.01 117.00 116.75 3iwq n LEU 241 Ca 0.02 0.06 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 3iwq n LEU 241 Cb 0.17 -0.06 0.26 0.00 -2.33 0.00 0.00 43.42 41.46 3iwq n LEU 241 CO 0.37 -0.01 0.49 0.47 -1.33 0.00 0.00 177.39 177.38 3iwq n ASP 242 N -1.06 0.60 -4.74 -1.43 9.92 -0.80 -4.91 116.55 114.12 3iwq n ASP 242 Ca 0.17 0.11 -0.40 0.00 -0.53 0.00 0.00 54.79 54.14 3iwq n ASP 242 Cb 0.10 0.02 -0.05 0.00 -0.64 0.00 0.00 41.12 40.56 3iwq n ASP 242 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3iwq s ILE 243 N -3.10 4.01 0.14 0.53 1.01 -0.18 -4.98 121.20 118.63 3iwq s ILE 243 Ca 0.09 1.88 -0.01 0.00 0.00 0.00 0.00 60.65 62.61 3iwq s ILE 243 Cb 0.15 -4.20 -0.17 0.00 0.01 0.00 0.00 42.46 38.25 3iwq s ILE 243 CO 0.69 0.39 1.34 0.78 0.00 0.00 0.00 174.94 178.13 3iwq h ASN 244 N 4.57 0.40 -3.44 3.58 2.35 -1.91 -3.44 115.58 117.69 3iwq h ASN 244 Ca -0.45 -0.32 -0.58 0.00 -0.55 0.00 0.00 56.30 54.40 3iwq h ASN 244 Cb 1.21 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 39.38 3iwq h ASN 244 CO 0.69 1.12 0.80 -1.61 -1.65 0.00 0.00 177.43 176.78 3iwq s GLU 245 N -3.23 3.94 0.20 0.81 8.01 -1.26 -4.92 118.70 122.24 3iwq s GLU 245 Ca -0.04 0.84 -0.08 0.00 0.01 0.00 0.00 54.97 55.69 3iwq s GLU 245 Cb 0.09 -3.79 0.11 0.00 -4.31 0.00 0.00 34.13 26.24 3iwq s GLU 245 CO 0.85 -1.01 1.70 0.87 0.01 0.00 0.00 175.26 177.68 3iwq h LYS 246 N 8.43 1.13 -0.07 1.61 1.57 -2.00 -1.58 116.57 125.65 3iwq h LYS 246 Ca -0.22 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.17 3iwq h LYS 246 Cb 1.07 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 3iwq h LYS 246 CO 1.04 1.01 -0.43 1.79 -0.57 0.00 0.00 179.45 182.29 3iwq h THR 247 N 1.06 1.32 -0.38 -0.16 1.35 -1.91 -1.51 112.91 112.68 3iwq h THR 247 Ca 0.21 -1.54 -0.16 0.00 -0.55 0.00 0.00 66.41 64.37 3iwq h THR 247 Cb 0.42 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 3iwq h THR 247 CO 0.01 0.45 -0.39 0.25 -0.25 0.00 0.00 175.52 175.59 3iwq h LEU 248 N 0.13 0.99 -0.31 3.87 5.85 -1.70 0.20 115.31 124.34 3iwq h LEU 248 Ca 0.01 -0.47 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 3iwq h LEU 248 Cb 0.82 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 3iwq h LEU 248 CO 0.06 1.26 0.16 -0.61 -0.34 0.00 0.00 178.44 178.98 3iwq h GLN 249 N 0.75 0.44 -0.43 1.25 4.15 -1.16 -0.11 115.11 119.99 3iwq h GLN 249 Ca 0.06 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3iwq h GLN 249 Cb 0.99 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.57 3iwq h GLN 249 CO 0.10 0.39 0.23 1.96 -1.93 0.00 0.00 178.83 179.57 3iwq h GLN 250 N 0.38 0.61 -0.67 1.69 4.20 -1.21 -1.81 115.11 118.29 3iwq h GLN 250 Ca 0.11 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.79 3iwq h GLN 250 Cb 0.08 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 3iwq h GLN 250 CO -0.02 0.50 0.40 0.78 -0.67 0.00 0.00 178.83 179.82 3iwq h GLY 251 N 0.57 0.98 0.98 3.46 0.00 -0.16 0.36 103.07 109.26 3iwq h GLY 251 Ca 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3iwq h GLY 251 CO -0.02 0.22 0.09 -2.22 0.00 0.00 0.00 176.54 174.61 3iwq h ILE 252 N 0.76 1.02 -0.89 2.60 2.04 -0.91 -1.65 117.51 120.48 3iwq h ILE 252 Ca 0.29 -0.07 0.07 0.00 1.00 0.00 0.00 64.86 66.15 3iwq h ILE 252 Cb 0.10 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 3iwq h ILE 252 CO -0.14 0.04 0.56 1.56 0.00 0.00 0.00 178.15 180.16 3iwq h GLN 253 N 0.19 0.96 -0.04 2.37 1.08 -0.81 -2.19 115.11 116.67 3iwq h GLN 253 Ca 0.06 -0.06 -0.11 0.00 -1.45 0.00 0.00 58.65 57.09 3iwq h GLN 253 Cb -0.01 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.19 3iwq h GLN 253 CO -0.02 0.64 -0.48 -0.07 -0.95 0.00 0.00 178.83 177.94 3iwq h LEU 254 N 0.99 0.11 -1.36 1.46 3.38 -0.70 -2.89 115.31 116.30 3iwq h LEU 254 Ca 0.40 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.28 3iwq h LEU 254 Cb 0.22 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3iwq h LEU 254 CO -0.19 0.58 -0.16 0.00 0.09 0.00 0.00 178.44 178.76 3iwq h ALA 255 N 1.43 1.06 -0.67 1.53 0.00 -0.66 -2.66 119.26 119.28 3iwq h ALA 255 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3iwq h ALA 255 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3iwq h ALA 255 CO 0.07 0.20 0.00 1.04 0.00 0.00 0.00 179.25 180.56 3iwq n GLN 256 N -3.38 2.69 -2.33 0.00 6.02 -1.09 -0.98 117.38 118.31 3iwq n GLN 256 Ca -0.00 -2.60 -0.35 0.00 -0.01 0.00 0.00 57.00 54.04 3iwq n GLN 256 Cb 0.37 -1.56 -0.01 0.00 1.02 0.00 0.00 30.24 30.06 3iwq n GLN 256 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3iwq s SER 257 N -1.09 5.91 -0.43 1.08 0.01 -1.00 -3.74 113.70 114.43 3iwq s SER 257 Ca 0.47 2.07 -0.16 0.00 1.31 0.00 0.00 55.95 59.65 3iwq s SER 257 Cb 0.25 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.94 3iwq s SER 257 CO 0.33 -1.08 0.35 -0.13 0.41 0.00 0.00 173.24 173.12 3iwq s ARG 258 N -3.33 2.99 -0.10 12.44 0.52 -0.00 -3.97 118.95 127.50 3iwq s ARG 258 Ca 0.70 -1.06 0.05 0.00 -0.52 0.00 0.00 55.73 54.90 3iwq s ARG 258 Cb -0.21 -4.02 -0.24 0.00 0.52 0.00 0.00 34.95 31.00 3iwq s ARG 258 CO 0.25 -0.85 0.42 0.66 0.02 0.00 0.00 175.30 175.81 3iwq n TYR 259 N 5.26 0.94 -3.96 -0.53 4.01 -0.74 -2.21 117.16 119.94 3iwq n TYR 259 Ca -0.11 0.26 -0.09 0.00 -0.16 0.00 0.00 57.90 57.81 3iwq n TYR 259 Cb 0.46 -1.15 -0.10 0.00 -0.31 0.00 0.00 39.34 38.24 3iwq n TYR 259 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3iwq s TRP 260 N -2.57 0.24 -0.06 -0.72 0.52 -1.25 -1.45 118.94 113.66 3iwq s TRP 260 Ca -0.14 -0.52 0.05 0.00 0.02 0.00 0.00 56.10 55.51 3iwq s TRP 260 Cb 0.07 -0.18 -0.01 0.00 -1.15 0.00 0.00 33.47 32.21 3iwq s TRP 260 CO 0.79 -0.29 -0.23 -1.14 0.02 0.00 0.00 176.95 176.10 3iwq s GLN 261 N -2.12 2.37 -0.17 4.98 0.74 0.14 -1.10 119.66 124.49 3iwq s GLN 261 Ca -0.09 -0.82 -0.03 0.00 0.05 0.00 0.00 55.36 54.47 3iwq s GLN 261 Cb -0.05 -1.99 0.05 0.00 1.10 0.00 0.00 33.01 32.13 3iwq s GLN 261 CO -0.03 0.32 0.04 -0.08 -0.55 0.00 0.00 175.29 174.99 3iwq s THR 262 N -0.06 0.43 0.00 -0.34 -1.32 -0.01 -1.39 115.64 112.96 3iwq s THR 262 Ca -0.05 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.03 3iwq s THR 262 Cb -0.14 -0.90 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 3iwq s THR 262 CO 0.04 -0.14 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 3iwq n GLY 263 N 5.09 3.69 0.66 6.08 0.00 -1.26 -1.25 105.19 118.20 3iwq n GLY 263 Ca -0.08 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.02 3iwq n GLY 263 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3iwq n ASP 264 N 7.02 2.06 -4.81 1.61 10.43 -1.26 -4.93 116.55 126.66 3iwq n ASP 264 Ca 0.00 -1.69 -0.33 0.00 2.57 0.00 0.00 54.79 55.34 3iwq n ASP 264 Cb 0.00 -0.00 -0.06 0.00 1.84 0.00 0.00 41.12 42.89 3iwq n ASP 264 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 3iwq s MET 265 N -1.99 3.18 -0.08 -1.24 1.75 -0.38 -4.49 119.30 116.04 3iwq s MET 265 Ca 0.34 -0.42 0.03 0.00 -1.25 0.00 0.00 55.69 54.40 3iwq s MET 265 Cb 0.21 -2.94 -0.01 0.00 2.84 0.00 0.00 34.83 34.92 3iwq s MET 265 CO 0.32 0.67 -0.18 0.71 -0.65 0.00 0.00 175.02 175.88 3iwq s TYR 266 N -1.20 2.64 -0.21 4.11 2.02 0.77 -0.83 117.35 124.65 3iwq s TYR 266 Ca 0.23 -0.59 -0.22 0.00 -0.37 0.00 0.00 57.07 56.12 3iwq s TYR 266 Cb -0.12 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 3iwq s TYR 266 CO 0.14 -0.14 0.70 -1.14 -1.57 0.00 0.00 175.55 173.54 3iwq s GLN 267 N -0.09 4.20 0.00 -0.62 2.00 -0.26 -0.87 119.66 124.02 3iwq s GLN 267 Ca -0.04 0.73 0.00 0.00 -2.00 0.00 0.00 55.36 54.05 3iwq s GLN 267 Cb -0.14 -3.61 0.00 0.00 0.80 0.00 0.00 33.01 30.06 3iwq s GLN 267 CO 0.04 -0.34 0.00 0.41 -0.50 0.00 0.00 175.29 174.90 3iwq n GLY 268 N 3.81 1.83 3.33 2.59 0.00 -0.19 -1.78 105.19 114.78 3iwq n GLY 268 Ca 0.01 -1.93 -0.46 0.00 0.00 0.00 0.00 46.02 43.65 3iwq n GLY 268 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwq s LEU 269 N 0.00 6.00 0.00 0.99 1.43 -0.16 -4.63 118.68 122.31 3iwq s LEU 269 Ca 0.00 -1.66 0.00 0.00 -1.03 0.00 0.00 54.13 51.44 3iwq s LEU 269 Cb 0.00 -2.21 0.00 0.00 0.03 0.00 0.00 46.19 44.01 3iwq s LEU 269 CO 0.00 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.36 3iwq n GLY 270 N 5.24 2.05 3.70 -3.19 0.00 -1.26 -4.33 105.19 107.40 3iwq n GLY 270 Ca -0.13 -0.24 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 3iwq n GLY 270 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3iwq n TRP 271 N 0.00 1.77 -4.60 1.61 7.02 -1.26 -4.68 117.44 117.30 3iwq n TRP 271 Ca 0.00 0.44 -0.28 0.00 -1.02 0.00 0.00 57.50 56.64 3iwq n TRP 271 Cb 0.00 -2.27 -0.14 0.00 -2.42 0.00 0.00 31.31 26.48 3iwq n TRP 271 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 3iwq s GLU 272 N -2.95 1.48 0.04 -0.99 2.02 -0.79 -1.02 118.70 116.49 3iwq s GLU 272 Ca 0.76 -1.14 0.03 0.00 0.02 0.00 0.00 54.97 54.64 3iwq s GLU 272 Cb -0.41 -1.74 -0.02 0.00 0.10 0.00 0.00 34.13 32.05 3iwq s GLU 272 CO 0.46 0.43 -0.09 -1.64 0.02 0.00 0.00 175.26 174.44 3iwq s MET 273 N -1.54 0.61 0.09 1.61 -1.94 -0.05 -0.87 119.30 117.21 3iwq s MET 273 Ca 0.10 -0.74 0.06 0.00 -1.71 0.00 0.00 55.69 53.40 3iwq s MET 273 Cb -0.10 -0.47 -0.03 0.00 2.01 0.00 0.00 34.83 36.24 3iwq s MET 273 CO 0.03 0.10 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.48 3iwq s LEU 274 N -1.42 2.32 0.24 -0.03 1.02 0.07 -0.16 118.68 120.71 3iwq s LEU 274 Ca -0.06 -0.69 -0.31 0.00 0.02 0.00 0.00 54.13 53.09 3iwq s LEU 274 Cb -0.09 -0.60 -0.11 0.00 0.02 0.00 0.00 46.19 45.41 3iwq s LEU 274 CO 0.01 -0.07 1.61 -1.81 0.02 0.00 0.00 176.35 176.11 3iwq s ASP 275 N -1.99 6.44 -0.08 2.29 1.01 -1.26 -0.21 116.67 122.87 3iwq s ASP 275 Ca 0.03 2.83 -0.12 0.00 0.71 0.00 0.00 52.55 56.00 3iwq s ASP 275 Cb -0.08 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.18 3iwq s ASP 275 CO 0.03 -0.89 0.30 0.86 0.21 0.00 0.00 175.17 175.67 3iwq s TRP 276 N 0.58 3.61 0.29 4.23 -0.11 -0.72 -3.36 118.94 123.46 3iwq s TRP 276 Ca 0.68 0.74 -0.29 0.00 1.22 0.00 0.00 56.10 58.45 3iwq s TRP 276 Cb -0.47 -2.20 -0.10 0.00 -1.50 0.00 0.00 33.47 29.20 3iwq s TRP 276 CO 0.39 0.55 1.23 -2.14 -4.62 0.00 0.00 176.95 172.36 3iwq s PRO 277 N -0.60 4.47 -0.15 5.86 0.02 -1.26 -4.72 135.00 138.61 3iwq s PRO 277 Ca 0.19 2.03 -0.03 0.00 0.02 0.00 0.00 61.00 63.21 3iwq s PRO 277 Cb -0.14 -3.14 -0.02 0.00 0.02 0.00 0.00 34.50 31.21 3iwq s PRO 277 CO 0.08 -0.04 -0.06 0.54 -0.33 0.00 0.00 177.00 177.19 3iwq s VAL 278 N -0.93 3.71 -0.09 3.83 0.11 -1.21 -5.06 120.40 120.76 3iwq s VAL 278 Ca 0.48 -0.42 -0.29 0.00 -2.93 0.00 0.00 61.98 58.82 3iwq s VAL 278 Cb -0.36 -2.61 -0.07 0.00 -1.53 0.00 0.00 36.38 31.81 3iwq s VAL 278 CO 0.46 0.50 2.09 0.21 -3.33 0.00 0.00 175.10 175.03 3iwq s ASN 279 N 0.34 5.97 0.55 3.54 3.84 -1.26 -4.88 114.94 123.04 3iwq s ASN 279 Ca -0.06 2.30 0.28 0.00 0.21 0.00 0.00 52.86 55.59 3iwq s ASN 279 Cb -0.15 -2.52 1.46 0.00 -0.55 0.00 0.00 41.25 39.49 3iwq s ASN 279 CO 0.04 -1.49 1.95 -0.65 -2.79 0.00 0.00 177.10 174.15 3iwq h PRO 280 N 12.75 0.00 0.00 0.43 0.11 -2.00 0.13 132.00 143.42 3iwq h PRO 280 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3iwq h PRO 280 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 3iwq h PRO 280 CO 0.95 0.00 -0.14 -0.44 -0.21 0.00 0.00 178.00 178.16 3iwq h ASP 281 N 0.00 0.00 1.51 -2.05 3.32 -1.95 0.34 116.42 117.59 3iwq h ASP 281 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3iwq h ASP 281 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3iwq h ASP 281 CO -0.00 0.14 0.00 0.28 -1.72 0.00 0.00 179.24 177.94 3iwq h SER 282 N 0.00 0.00 0.00 6.45 0.02 -1.12 -3.21 113.55 115.68 3iwq h SER 282 Ca -0.00 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.56 3iwq h SER 282 Cb 0.85 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.32 3iwq h SER 282 CO 0.02 0.00 -2.46 -0.38 -1.14 0.00 0.00 176.83 172.87 3iwq n ILE 283 N -2.53 1.47 -2.99 3.27 5.41 -1.03 -4.95 119.36 118.01 3iwq n ILE 283 Ca 0.04 -0.62 -0.40 0.00 1.00 0.00 0.00 62.75 62.78 3iwq n ILE 283 Cb 0.43 -1.26 -0.05 0.00 -0.71 0.00 0.00 39.64 38.05 3iwq n ILE 283 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3iwq s ILE 284 N -2.51 4.71 0.25 1.39 1.09 0.12 -4.98 121.20 121.26 3iwq s ILE 284 Ca -0.31 1.62 0.10 0.00 -1.10 0.00 0.00 60.65 60.97 3iwq s ILE 284 Cb 0.08 -4.11 -0.05 0.00 -1.06 0.00 0.00 42.46 37.33 3iwq s ILE 284 CO 0.64 0.38 -0.18 -0.75 -0.10 0.00 0.00 174.94 174.93 3iwq s LYS 290 N -0.15 1.54 -0.25 2.79 2.36 -1.26 -4.90 119.74 119.87 3iwq s LYS 290 Ca 0.38 -1.70 -0.07 0.00 -2.55 0.00 0.00 55.97 52.03 3iwq s LYS 290 Cb -0.21 -1.51 -0.02 0.00 -1.05 0.00 0.00 37.83 35.04 3iwq s LYS 290 CO 0.23 0.27 0.06 0.42 1.55 0.00 0.00 175.35 177.88 3iwq s ILE 291 N -2.70 4.14 0.42 5.43 1.01 -1.26 -5.00 121.20 123.25 3iwq s ILE 291 Ca 0.27 -0.29 0.13 0.00 0.00 0.00 0.00 60.65 60.76 3iwq s ILE 291 Cb -0.03 -2.96 0.16 0.00 0.01 0.00 0.00 42.46 39.64 3iwq s ILE 291 CO 0.12 0.31 1.95 0.00 0.00 0.00 0.00 174.94 177.31 3iwq h ALA 292 N 8.22 1.60 -2.45 9.38 0.00 -2.09 -3.42 119.26 130.51 3iwq h ALA 292 Ca -0.38 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 3iwq h ALA 292 Cb 1.17 -0.04 -0.28 0.00 0.00 0.00 0.00 17.79 18.64 3iwq h ALA 292 CO 0.59 0.30 -0.38 -1.17 0.00 0.00 0.00 179.25 178.58 3iwq s LEU 293 N -8.56 -0.64 -0.30 0.00 0.20 -1.26 -5.01 118.68 103.10 3iwq s LEU 293 Ca -0.04 0.91 0.01 0.00 0.69 0.00 0.00 54.13 55.70 3iwq s LEU 293 Cb 0.15 1.32 0.09 0.00 -0.43 0.00 0.00 46.19 47.33 3iwq s LEU 293 CO 0.71 -0.24 0.06 0.00 -0.29 0.00 0.00 176.35 176.59 3iwq s ALA 294 N 2.61 1.94 -0.16 5.97 0.00 -1.26 -5.10 121.76 125.76 3iwq s ALA 294 Ca -0.00 -1.83 -0.19 0.00 0.00 0.00 0.00 51.96 49.94 3iwq s ALA 294 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 3iwq s ALA 294 CO -0.13 -1.59 0.52 0.00 0.00 0.00 0.00 175.76 174.56 3iwq s ALA 295 N 1.40 3.50 -0.01 0.00 0.00 -1.26 -4.60 121.76 120.79 3iwq s ALA 295 Ca 0.08 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.80 3iwq s ALA 295 Cb -0.18 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 3iwq s ALA 295 CO -0.17 -0.26 -0.11 1.03 0.00 0.00 0.00 175.76 176.25 3iwq s ARG 296 N 1.21 0.92 0.35 0.00 1.81 -0.67 -4.98 118.95 117.58 3iwq s ARG 296 Ca 0.26 -0.40 -0.29 0.00 -1.72 0.00 0.00 55.73 53.58 3iwq s ARG 296 Cb -0.15 -0.88 -0.11 0.00 -0.45 0.00 0.00 34.95 33.35 3iwq s ARG 296 CO 0.10 0.24 1.44 -2.14 -0.68 0.00 0.00 175.30 174.27 3iwq s PRO 297 N -0.26 4.19 0.01 3.54 0.02 -1.26 0.22 135.00 141.46 3iwq s PRO 297 Ca 0.04 2.46 0.05 0.00 0.02 0.00 0.00 61.00 63.56 3iwq s PRO 297 Cb -0.04 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.43 3iwq s PRO 297 CO -0.00 -0.44 -0.11 0.14 -0.33 0.00 0.00 177.00 176.26 3iwq s VAL 298 N -0.93 3.32 -0.24 3.83 -7.23 -0.88 -4.64 120.40 113.64 3iwq s VAL 298 Ca 0.53 -0.91 -0.09 0.00 -1.81 0.00 0.00 61.98 59.69 3iwq s VAL 298 Cb -0.44 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 3iwq s VAL 298 CO 0.57 0.38 0.13 -0.75 -0.31 0.00 0.00 175.10 175.13 3iwq s LYS 299 N -1.40 3.95 0.33 4.82 2.20 -0.48 -4.81 119.74 124.35 3iwq s LYS 299 Ca 0.16 -0.33 -0.29 0.00 -0.36 0.00 0.00 55.97 55.15 3iwq s LYS 299 Cb -0.11 -3.47 -0.10 0.00 -1.51 0.00 0.00 37.83 32.64 3iwq s LYS 299 CO 0.06 -0.01 1.34 0.00 -0.36 0.00 0.00 175.35 176.39 3iwq s ALA 300 N 1.21 3.51 -0.44 3.13 0.00 -1.26 -0.68 121.76 127.23 3iwq s ALA 300 Ca 0.06 1.31 -0.15 0.00 0.00 0.00 0.00 51.96 53.18 3iwq s ALA 300 Cb -0.14 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.52 3iwq s ALA 300 CO 0.05 -0.71 0.34 0.42 0.00 0.00 0.00 175.76 175.87 3iwq s ILE 301 N -1.09 5.23 -0.31 0.00 -1.09 -0.53 -4.89 121.20 118.52 3iwq s ILE 301 Ca 0.50 -0.85 0.03 0.00 -2.23 0.00 0.00 60.65 58.10 3iwq s ILE 301 Cb -0.41 -4.01 0.09 0.00 -1.58 0.00 0.00 42.46 36.55 3iwq s ILE 301 CO 0.54 -0.43 0.01 -0.89 -1.23 0.00 0.00 174.94 172.94 3iwq s THR 302 N 1.66 2.12 0.66 2.92 2.01 -1.26 -1.52 115.64 122.23 3iwq s THR 302 Ca 0.04 -2.06 -0.08 0.00 0.31 0.00 0.00 61.69 59.91 3iwq s THR 302 Cb -0.21 -2.48 0.03 0.00 0.01 0.00 0.00 72.50 69.85 3iwq s THR 302 CO 0.08 -0.44 1.00 -2.16 -0.69 0.00 0.00 174.62 172.41 3iwq s PRO 303 N 1.02 2.65 0.47 4.92 0.04 -1.26 -5.09 135.00 137.75 3iwq s PRO 303 Ca 0.05 0.06 -0.23 0.00 0.04 0.00 0.00 61.00 60.92 3iwq s PRO 303 Cb -0.19 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 3iwq s PRO 303 CO -0.08 -0.99 1.07 -2.30 0.04 0.00 0.00 177.00 174.74 3iwq n PRO 304 N -2.83 1.37 -2.71 0.56 -0.02 -0.58 -4.95 135.00 125.85 3iwq n PRO 304 Ca 0.06 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.62 3iwq n PRO 304 Cb 0.58 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 3iwq n PRO 304 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iwq s THR 305 N -1.32 4.79 0.62 3.45 2.01 -0.94 -4.84 115.64 119.41 3iwq s THR 305 Ca 0.66 1.99 -0.19 0.00 0.31 0.00 0.00 61.69 64.47 3iwq s THR 305 Cb -0.50 -4.29 -0.03 0.00 0.01 0.00 0.00 72.50 67.69 3iwq s THR 305 CO 0.54 0.01 1.22 -2.65 -0.69 0.00 0.00 174.62 173.05 3iwq n PRO 306 N 5.04 1.14 -0.83 4.92 -0.02 -1.26 -0.82 135.00 143.17 3iwq n PRO 306 Ca 0.08 0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 3iwq n PRO 306 Cb 0.49 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.47 3iwq n PRO 306 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iwq n ALA 307 N -1.74 -0.52 -2.60 3.55 0.00 -1.25 -4.78 120.51 113.16 3iwq n ALA 307 Ca 0.15 0.22 -0.40 0.00 0.00 0.00 0.00 53.44 53.40 3iwq n ALA 307 Cb 0.47 -0.98 -0.07 0.00 0.00 0.00 0.00 19.45 18.86 3iwq n ALA 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3iwq s VAL 308 N 1.82 5.04 0.48 0.00 1.01 -1.26 -4.95 120.40 122.54 3iwq s VAL 308 Ca 0.54 0.77 0.16 0.00 0.00 0.00 0.00 61.98 63.45 3iwq s VAL 308 Cb -0.76 -3.88 0.31 0.00 0.00 0.00 0.00 36.38 32.06 3iwq s VAL 308 CO 0.40 -0.00 2.06 0.03 0.00 0.00 0.00 175.10 177.59 3iwq h ARG 309 N 8.13 0.20 -3.19 2.72 3.08 -1.97 -3.19 114.38 120.16 3iwq h ARG 309 Ca -0.28 -0.01 -0.71 0.00 0.07 0.00 0.00 59.98 59.04 3iwq h ARG 309 Cb 1.13 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.09 3iwq h ARG 309 CO 0.74 0.13 3.03 0.00 -1.07 0.00 0.00 179.97 182.80 3iwq n ALA 310 N -2.54 6.60 -2.75 0.04 0.00 -1.26 -0.80 120.51 119.79 3iwq n ALA 310 Ca 0.04 -3.88 -0.16 0.00 0.00 0.00 0.00 53.44 49.44 3iwq n ALA 310 Cb 0.25 -3.19 -0.12 0.00 0.00 0.00 0.00 19.45 16.40 3iwq n ALA 310 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3iwq s SER 311 N 1.69 1.30 -0.32 0.00 0.01 -1.21 -1.75 113.70 113.43 3iwq s SER 311 Ca 0.56 -0.61 -0.17 0.00 1.31 0.00 0.00 55.95 57.04 3iwq s SER 311 Cb 0.16 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.37 3iwq s SER 311 CO -0.06 -0.15 0.47 0.86 0.41 0.00 0.00 173.24 174.76 3iwq s TRP 312 N -1.45 3.21 -0.16 2.43 -0.11 0.71 -3.95 118.94 119.62 3iwq s TRP 312 Ca -0.05 0.28 -0.01 0.00 1.22 0.00 0.00 56.10 57.55 3iwq s TRP 312 Cb -0.09 -2.79 -0.01 0.00 -1.50 0.00 0.00 33.47 29.08 3iwq s TRP 312 CO 0.01 -0.42 -0.11 0.08 -4.62 0.00 0.00 176.95 171.89 3iwq s VAL 313 N 2.28 3.04 0.24 5.86 1.01 0.01 -0.75 120.40 132.07 3iwq s VAL 313 Ca 0.18 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 3iwq s VAL 313 Cb -0.16 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 3iwq s VAL 313 CO 0.12 0.50 0.43 -1.38 0.00 0.00 0.00 175.10 174.77 3iwq s HIS 314 N 0.79 0.42 -0.27 5.22 -0.00 -0.05 -0.74 115.29 120.66 3iwq s HIS 314 Ca -0.04 -0.77 -0.14 0.00 -0.00 0.00 0.00 55.06 54.11 3iwq s HIS 314 Cb -0.15 0.11 0.09 0.00 -0.00 0.00 0.00 32.58 32.63 3iwq s HIS 314 CO 0.01 -0.94 0.65 0.21 -0.00 0.00 0.00 174.74 174.66 3iwq s LYS 315 N -4.02 0.64 0.50 -0.38 2.47 -0.46 -1.88 119.74 116.60 3iwq s LYS 315 Ca 0.23 1.21 -0.05 0.00 -1.56 0.00 0.00 55.97 55.81 3iwq s LYS 315 Cb 0.00 0.25 -0.02 0.00 -1.46 0.00 0.00 37.83 36.60 3iwq s LYS 315 CO 0.08 -0.16 0.79 0.95 0.16 0.00 0.00 175.35 177.17 3iwq s THR 316 N 1.85 4.59 -0.12 3.43 -4.23 -1.26 -2.08 115.64 117.82 3iwq s THR 316 Ca -0.09 0.08 -0.17 0.00 -1.18 0.00 0.00 61.69 60.33 3iwq s THR 316 Cb -0.07 -3.75 0.04 0.00 1.34 0.00 0.00 72.50 70.06 3iwq s THR 316 CO -0.19 -0.72 0.43 -0.83 -0.54 0.00 0.00 174.62 172.77 3iwq s GLY 317 N -4.15 -0.31 -0.02 3.99 0.00 -0.44 -3.64 107.32 102.74 3iwq s GLY 317 Ca 0.48 1.02 -0.05 0.00 0.00 0.00 0.00 44.72 46.18 3iwq s GLY 317 CO 0.44 0.82 0.11 0.00 0.00 0.00 0.00 173.10 174.47 3iwq s ALA 318 N -0.31 -0.26 0.38 3.20 0.00 -1.26 -0.11 121.76 123.40 3iwq s ALA 318 Ca -0.05 0.08 0.01 0.00 0.00 0.00 0.00 51.96 52.00 3iwq s ALA 318 Cb -0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 23.12 23.02 3iwq s ALA 318 CO 0.02 -0.12 0.04 0.25 0.00 0.00 0.00 175.76 175.96 3iwq n THR 319 N 2.34 0.00 -0.21 0.00 -2.24 -0.15 -3.90 114.28 110.12 3iwq n THR 319 Ca -0.17 -1.93 0.09 0.00 -2.27 0.00 0.00 64.05 59.77 3iwq n THR 319 Cb 0.57 0.49 0.38 0.00 -2.10 0.00 0.00 70.33 69.67 3iwq n THR 319 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3iwq h GLY 320 N 1.10 1.01 -0.55 3.38 0.00 -1.97 -2.98 103.07 103.05 3iwq h GLY 320 Ca -0.31 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3iwq h GLY 320 CO 0.51 0.17 0.00 0.61 0.00 0.00 0.00 176.54 177.82 3iwq n GLY 321 N -1.45 0.46 3.08 4.60 0.00 -1.26 -4.49 105.19 106.13 3iwq n GLY 321 Ca 0.13 -0.18 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 3iwq n GLY 321 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwq s PHE 322 N -0.68 0.84 -0.09 1.61 0.40 -1.13 -2.20 117.98 116.73 3iwq s PHE 322 Ca 0.09 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 56.02 3iwq s PHE 322 Cb 0.05 -0.49 0.02 0.00 0.51 0.00 0.00 43.02 43.11 3iwq s PHE 322 CO 0.08 -0.03 -0.07 0.20 0.70 0.00 0.00 175.22 176.10 3iwq s GLY 323 N -1.31 0.71 0.24 4.36 0.00 -0.53 -0.98 107.32 109.81 3iwq s GLY 323 Ca -0.05 -0.38 0.07 0.00 0.00 0.00 0.00 44.72 44.37 3iwq s GLY 323 CO 0.01 0.65 -0.11 -1.35 0.00 0.00 0.00 173.10 172.31 3iwq s SER 324 N 1.40 2.72 -0.24 1.64 1.04 0.84 -1.49 113.70 119.60 3iwq s SER 324 Ca -0.02 -1.10 -0.22 0.00 0.48 0.00 0.00 55.95 55.09 3iwq s SER 324 Cb -0.13 -0.16 0.06 0.00 0.10 0.00 0.00 66.02 65.89 3iwq s SER 324 CO -0.04 -0.24 0.65 -0.47 0.98 0.00 0.00 173.24 174.12 3iwq s TYR 325 N -2.97 -0.74 -0.03 5.02 5.04 -0.25 -1.33 117.35 122.09 3iwq s TYR 325 Ca 0.26 1.76 0.01 0.00 -2.44 0.00 0.00 57.07 56.67 3iwq s TYR 325 Cb 0.01 0.27 0.01 0.00 0.35 0.00 0.00 41.96 42.61 3iwq s TYR 325 CO 0.10 -0.36 -0.05 0.08 -1.34 0.00 0.00 175.55 173.98 3iwq s VAL 326 N 0.46 0.52 -0.08 3.14 1.01 -0.88 -0.69 120.40 123.87 3iwq s VAL 326 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 3iwq s VAL 326 Cb -0.05 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.84 3iwq s VAL 326 CO -0.01 0.20 0.24 0.00 0.00 0.00 0.00 175.10 175.53 3iwq s ALA 327 N 0.59 -0.59 0.10 5.51 0.00 -0.60 -1.35 121.76 125.41 3iwq s ALA 327 Ca -0.08 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 52.38 3iwq s ALA 327 Cb -0.11 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.68 3iwq s ALA 327 CO 0.00 -0.13 0.27 -0.59 0.00 0.00 0.00 175.76 175.32 3iwq s PHE 328 N -0.05 0.00 -0.30 0.00 -0.71 0.08 -0.33 117.98 116.67 3iwq s PHE 328 Ca -0.02 -0.37 0.01 0.00 -1.04 0.00 0.00 56.93 55.51 3iwq s PHE 328 Cb -0.02 0.07 0.09 0.00 -1.21 0.00 0.00 43.02 41.95 3iwq s PHE 328 CO 0.01 -0.60 0.05 0.42 -1.34 0.00 0.00 175.22 173.75 3iwq s ILE 329 N -3.75 1.53 0.24 -4.49 1.01 0.13 -0.81 121.20 115.06 3iwq s ILE 329 Ca 0.03 -1.70 -0.06 0.00 0.00 0.00 0.00 60.65 58.93 3iwq s ILE 329 Cb 0.03 -2.06 0.23 0.00 0.01 0.00 0.00 42.46 40.67 3iwq s ILE 329 CO -0.11 -0.52 1.88 -0.65 0.00 0.00 0.00 174.94 175.54 3iwq h PRO 330 N 7.89 1.07 0.00 2.79 0.11 -1.66 -1.76 132.00 140.44 3iwq h PRO 330 Ca -0.11 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.93 3iwq h PRO 330 Cb 1.03 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 3iwq h PRO 330 CO 0.47 0.71 -0.02 1.05 -0.21 0.00 0.00 178.00 180.01 3iwq h GLU 331 N 1.11 0.00 -0.02 1.05 4.11 -1.29 -1.82 114.58 117.72 3iwq h GLU 331 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 3iwq h GLU 331 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3iwq h GLU 331 CO -0.13 0.02 -0.07 1.63 0.07 0.00 0.00 179.01 180.52 3iwq n LYS 332 N -3.35 1.40 -3.86 1.06 4.76 -0.71 -4.98 118.16 112.48 3iwq n LYS 332 Ca -0.02 -1.34 -0.29 0.00 -2.87 0.00 0.00 58.31 53.79 3iwq n LYS 332 Cb 0.12 -1.31 0.03 0.00 -1.84 0.00 0.00 35.03 32.04 3iwq n LYS 332 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3iwq n GLU 333 N 0.69 -5.84 -4.89 1.97 1.02 -0.69 -4.58 120.64 108.33 3iwq n GLU 333 Ca 0.09 0.63 -0.26 0.00 -0.02 0.00 0.00 57.16 57.60 3iwq n GLU 333 Cb 0.40 -5.55 -0.15 0.00 -0.02 0.00 0.00 31.44 26.12 3iwq n GLU 333 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3iwq s LEU 334 N -7.28 2.03 0.22 -4.62 2.96 -1.19 -2.52 118.68 108.28 3iwq s LEU 334 Ca 0.66 -0.34 -0.21 0.00 -0.22 0.00 0.00 54.13 54.01 3iwq s LEU 334 Cb -0.32 -0.96 0.04 0.00 0.50 0.00 0.00 46.19 45.45 3iwq s LEU 334 CO 0.81 0.22 0.64 -0.83 -1.32 0.00 0.00 176.35 175.87 3iwq s GLY 335 N -0.40 -0.32 -0.09 7.98 0.00 -0.24 -0.69 107.32 113.57 3iwq s GLY 335 Ca 0.06 0.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.74 3iwq s GLY 335 CO -0.00 -0.00 0.26 -1.50 0.00 0.00 0.00 173.10 171.85 3iwq s ILE 336 N -3.84 0.01 -0.10 0.90 2.07 0.56 -0.53 121.20 120.26 3iwq s ILE 336 Ca 0.06 -0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.27 3iwq s ILE 336 Cb -0.03 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.17 3iwq s ILE 336 CO -0.03 -0.03 -0.20 -0.69 -1.91 0.00 0.00 174.94 172.08 3iwq s VAL 337 N -0.02 1.79 -0.18 4.00 1.01 -0.35 -1.55 120.40 125.10 3iwq s VAL 337 Ca -0.02 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.12 3iwq s VAL 337 Cb -0.02 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.81 3iwq s VAL 337 CO 0.01 0.50 -0.16 -0.04 0.00 0.00 0.00 175.10 175.41 3iwq s MET 338 N 0.54 2.54 -0.13 2.72 -1.94 0.13 -1.11 119.30 122.06 3iwq s MET 338 Ca -0.15 -0.77 0.02 0.00 -1.71 0.00 0.00 55.69 53.08 3iwq s MET 338 Cb -0.17 -2.40 0.01 0.00 2.01 0.00 0.00 34.83 34.28 3iwq s MET 338 CO 0.05 -0.28 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.08 3iwq s LEU 339 N 1.36 1.96 0.07 -0.03 1.43 0.02 -1.09 118.68 122.41 3iwq s LEU 339 Ca 0.03 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 3iwq s LEU 339 Cb -0.14 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 3iwq s LEU 339 CO -0.11 0.05 -0.12 0.00 0.23 0.00 0.00 176.35 176.40 3iwq s ALA 340 N 0.90 1.05 -0.75 4.21 0.00 -0.55 -0.55 121.76 126.07 3iwq s ALA 340 Ca -0.06 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 3iwq s ALA 340 Cb -0.15 -0.04 0.39 0.00 0.00 0.00 0.00 23.12 23.32 3iwq s ALA 340 CO -0.02 0.08 1.96 0.27 0.00 0.00 0.00 175.76 178.05 3iwq n ASN 341 N 1.14 7.36 -3.82 0.00 6.94 -1.06 -1.76 115.26 124.06 3iwq n ASN 341 Ca -0.20 -3.81 -0.12 0.00 -0.02 0.00 0.00 54.58 50.42 3iwq n ASN 341 Cb 0.55 -0.98 -0.12 0.00 -2.36 0.00 0.00 39.78 36.87 3iwq n ASN 341 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3iwq s LYS 342 N -3.95 0.30 -0.83 -3.83 2.20 -0.95 -1.97 119.74 110.71 3iwq s LYS 342 Ca 0.56 0.12 -0.22 0.00 -0.36 0.00 0.00 55.97 56.07 3iwq s LYS 342 Cb 0.46 0.14 0.09 0.00 -1.51 0.00 0.00 37.83 37.00 3iwq s LYS 342 CO -0.26 -0.05 1.14 1.21 -0.36 0.00 0.00 175.35 177.03 3iwq s ASN 343 N -0.25 6.41 0.35 1.43 2.47 -1.25 -1.45 114.94 122.64 3iwq s ASN 343 Ca -0.04 -1.44 0.08 0.00 0.42 0.00 0.00 52.86 51.89 3iwq s ASN 343 Cb -0.03 -2.45 -0.03 0.00 -1.45 0.00 0.00 41.25 37.29 3iwq s ASN 343 CO 0.01 -1.34 0.24 -0.72 -3.72 0.00 0.00 177.10 171.56 3iwq s TYR 344 N 3.83 2.79 0.34 0.43 -0.85 -1.26 -4.93 117.35 117.70 3iwq s TYR 344 Ca 0.31 -0.37 -0.29 0.00 -0.52 0.00 0.00 57.07 56.21 3iwq s TYR 344 Cb -0.08 -1.78 -0.11 0.00 0.38 0.00 0.00 41.96 40.36 3iwq s TYR 344 CO -0.01 0.21 1.49 -2.30 -1.52 0.00 0.00 175.55 173.42 3iwq n PRO 345 N -1.30 2.59 -0.29 -3.49 -0.02 -1.26 -4.89 135.00 126.34 3iwq n PRO 345 Ca -0.02 0.91 0.09 0.00 -2.02 0.00 0.00 63.50 62.46 3iwq n PRO 345 Cb 0.61 -2.63 0.24 0.00 -0.02 0.00 0.00 33.50 31.70 3iwq n PRO 345 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3iwq h ASN 346 N 3.45 0.38 0.19 2.55 2.35 -1.99 -2.43 115.58 120.07 3iwq h ASN 346 Ca -0.49 0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.34 3iwq h ASN 346 Cb 1.24 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.69 3iwq h ASN 346 CO 0.68 0.10 -0.20 -0.65 -1.65 0.00 0.00 177.43 175.72 3iwq h PRO 347 N 0.49 0.01 -0.54 0.81 0.11 -1.90 -1.97 132.00 128.99 3iwq h PRO 347 Ca 0.48 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.54 3iwq h PRO 347 Cb 0.80 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 3iwq h PRO 347 CO -0.44 0.20 0.14 0.00 -0.21 0.00 0.00 178.00 177.69 3iwq h ALA 348 N 1.80 0.71 -0.03 -0.75 0.00 -1.80 -1.61 119.26 117.58 3iwq h ALA 348 Ca -0.00 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3iwq h ALA 348 Cb 0.35 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3iwq h ALA 348 CO 0.03 0.41 -0.08 0.00 0.00 0.00 0.00 179.25 179.60 3iwq h ARG 349 N 0.76 -0.12 -0.54 0.00 3.08 -1.37 -2.46 114.38 113.72 3iwq h ARG 349 Ca 0.17 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 3iwq h ARG 349 Cb 0.33 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 3iwq h ARG 349 CO 0.00 -0.08 0.04 0.28 -1.07 0.00 0.00 179.97 179.14 3iwq h VAL 350 N -0.13 1.26 -0.15 2.04 2.07 -1.31 0.03 116.25 120.06 3iwq h VAL 350 Ca 0.04 -1.05 0.01 0.00 0.82 0.00 0.00 66.70 66.53 3iwq h VAL 350 Cb 0.19 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 3iwq h VAL 350 CO -0.11 0.38 0.05 0.44 0.02 0.00 0.00 177.57 178.35 3iwq h ASP 351 N 0.82 0.05 -0.27 0.57 3.45 -1.31 0.74 116.42 120.47 3iwq h ASP 351 Ca 0.16 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.63 3iwq h ASP 351 Cb 0.48 0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.25 3iwq h ASP 351 CO 0.02 0.05 0.13 0.00 -1.57 0.00 0.00 179.24 177.88 3iwq h ALA 352 N 1.09 0.35 -0.57 3.45 0.00 -1.21 0.99 119.26 123.36 3iwq h ALA 352 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iwq h ALA 352 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3iwq h ALA 352 CO -0.07 -0.09 0.37 0.00 0.00 0.00 0.00 179.25 179.46 3iwq h ALA 353 N 0.99 0.73 -0.40 0.00 0.00 -0.74 -2.00 119.26 117.85 3iwq h ALA 353 Ca 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3iwq h ALA 353 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3iwq h ALA 353 CO -0.01 0.18 0.09 2.35 0.00 0.00 0.00 179.25 181.86 3iwq h TRP 354 N 0.78 0.68 -0.74 0.00 7.01 -0.59 -0.11 115.95 122.97 3iwq h TRP 354 Ca 0.21 -0.08 0.06 0.00 2.11 0.00 0.00 58.89 61.19 3iwq h TRP 354 Cb -0.06 -0.19 -0.06 0.00 -2.10 0.00 0.00 29.16 26.75 3iwq h TRP 354 CO -0.03 0.65 0.43 1.96 -2.79 0.00 0.00 178.44 178.66 3iwq h GLN 355 N 0.50 0.75 0.04 2.65 1.08 -0.47 0.49 115.11 120.16 3iwq h GLN 355 Ca 0.12 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3iwq h GLN 355 Cb 0.33 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3iwq h GLN 355 CO 0.00 0.50 -0.02 0.82 -0.95 0.00 0.00 178.83 179.18 3iwq h ILE 356 N 0.78 1.28 -0.07 2.54 2.04 -1.20 -2.77 117.51 120.11 3iwq h ILE 356 Ca 0.33 -1.10 -0.13 0.00 1.00 0.00 0.00 64.86 64.96 3iwq h ILE 356 Cb 0.20 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3iwq h ILE 356 CO -0.18 0.28 -0.54 -0.07 0.00 0.00 0.00 178.15 177.63 3iwq h LEU 357 N -0.55 0.22 -0.81 1.44 3.38 -0.82 -2.79 115.31 115.38 3iwq h LEU 357 Ca -0.01 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 3iwq h LEU 357 Cb 0.49 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3iwq h LEU 357 CO 0.01 0.72 -0.19 -1.13 0.09 0.00 0.00 178.44 177.94 3iwq h ASN 358 N 0.16 0.68 0.10 -0.43 -1.24 -0.97 -1.52 115.58 112.35 3iwq h ASN 358 Ca 0.00 -0.22 -0.05 0.00 0.71 0.00 0.00 56.30 56.73 3iwq h ASN 358 Cb 1.01 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.86 3iwq h ASN 358 CO 0.08 0.87 -0.17 0.00 -1.29 0.00 0.00 177.43 176.92 3iwq h ALA 359 N 1.18 1.53 0.00 1.57 0.00 -1.29 -3.04 119.26 119.21 3iwq h ALA 359 Ca 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3iwq h ALA 359 Cb 0.66 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3iwq h ALA 359 CO 0.05 0.34 -1.17 1.28 0.00 0.00 0.00 179.25 179.75 3iwq n LEU 360 N -4.26 0.58 0.00 0.00 4.77 -1.01 -5.12 117.00 111.96 3iwq n LEU 360 Ca -0.01 0.08 0.14 0.00 -0.03 0.00 0.00 56.01 56.19 3iwq n LEU 360 Cb 0.28 -0.07 0.85 0.00 -2.33 0.00 0.00 43.42 42.15 3iwq n LEU 360 CO 0.38 -0.03 1.02 1.67 -1.33 0.00 0.00 177.39 179.10