#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 1.20 -0.20 0.00 -0.02 -1.26 -4.75 135.00 129.96 3iwq n PRO 5 Ca 0.00 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 3iwq n PRO 5 Cb 0.00 -1.86 0.42 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.58 0.58 -0.57 -0.52 -0.00 -2.05 -1.51 115.11 112.63 3iwq h GLN 6 Ca -0.42 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.16 3iwq h GLN 6 Cb 1.35 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 28.67 3iwq h GLN 6 CO 0.57 0.39 0.20 -0.56 0.00 0.00 0.00 178.83 179.43 3iwq h GLN 7 N 0.60 0.83 0.07 1.69 3.07 -1.99 0.14 115.11 119.52 3iwq h GLN 7 Ca 0.38 -0.14 -0.00 0.00 0.09 0.00 0.00 58.65 58.97 3iwq h GLN 7 Cb 0.63 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 28.05 3iwq h GLN 7 CO -0.14 0.70 -0.03 0.82 0.09 0.00 0.00 178.83 180.27 3iwq h ILE 8 N 0.82 1.21 -0.89 1.86 2.04 -1.64 -2.59 117.51 118.33 3iwq h ILE 8 Ca 0.19 -1.12 0.16 0.00 1.00 0.00 0.00 64.86 65.09 3iwq h ILE 8 Cb 0.20 1.93 -0.10 0.00 -0.74 0.00 0.00 36.82 38.11 3iwq h ILE 8 CO -0.01 0.27 0.47 0.78 0.00 0.00 0.00 178.15 179.66 3iwq h ASN 9 N -0.61 0.56 0.23 1.72 2.35 -1.25 -0.50 115.58 118.07 3iwq h ASN 9 Ca -0.01 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3iwq h ASN 9 Cb 0.52 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3iwq h ASN 9 CO 0.02 0.21 -0.11 -0.78 -1.65 0.00 0.00 177.43 175.12 3iwq h ASP 10 N 0.63 -0.26 0.09 5.81 3.58 -0.92 -1.12 116.42 124.23 3iwq h ASP 10 Ca 0.50 -0.09 -0.18 0.00 0.42 0.00 0.00 57.03 57.68 3iwq h ASP 10 Cb 0.74 0.07 -0.00 0.00 1.72 0.00 0.00 39.33 41.86 3iwq h ASP 10 CO -0.38 -0.07 -0.66 -0.29 -2.88 0.00 0.00 179.24 174.96 3iwq h ILE 11 N -0.45 1.34 -0.24 2.25 6.09 -1.02 -1.36 117.51 124.11 3iwq h ILE 11 Ca -0.03 -1.96 -0.02 0.00 -1.37 0.00 0.00 64.86 61.47 3iwq h ILE 11 Cb 0.34 1.94 -0.01 0.00 0.47 0.00 0.00 36.82 39.56 3iwq h ILE 11 CO 0.05 0.60 0.05 0.58 -3.07 0.00 0.00 178.15 176.37 3iwq h VAL 12 N 0.38 1.22 -0.59 2.19 2.07 -1.11 -1.21 116.25 119.19 3iwq h VAL 12 Ca -0.02 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 3iwq h VAL 12 Cb 1.23 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 3iwq h VAL 12 CO 0.12 0.23 0.23 -0.74 0.02 0.00 0.00 177.57 177.42 3iwq h HIS 13 N 0.20 0.91 0.00 1.57 -0.00 -1.12 0.45 115.15 117.16 3iwq h HIS 13 Ca 0.07 -0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 60.33 3iwq h HIS 13 Cb 0.29 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 3iwq h HIS 13 CO 0.01 0.74 -0.20 0.00 -0.00 0.00 0.00 177.93 178.48 3iwq h ARG 14 N 0.83 0.00 0.00 5.26 3.08 -1.16 -3.17 114.38 119.21 3iwq h ARG 14 Ca 0.20 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 3iwq h ARG 14 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 3iwq h ARG 14 CO -0.01 0.20 -1.36 2.41 -1.07 0.00 0.00 179.97 180.14 3iwq n THR 15 N -3.85 1.50 0.00 2.04 -1.04 -0.47 -4.52 114.28 107.95 3iwq n THR 15 Ca -0.02 0.01 -0.17 0.00 -2.04 0.00 0.00 64.05 61.83 3iwq n THR 15 Cb 0.30 -2.23 -0.11 0.00 -1.82 0.00 0.00 70.33 66.48 3iwq n THR 15 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3iwq h ILE 16 N -1.00 1.41 -0.27 12.58 1.08 -1.10 -2.86 117.51 127.35 3iwq h ILE 16 Ca -0.19 -2.06 0.06 0.00 -0.39 0.00 0.00 64.86 62.28 3iwq h ILE 16 Cb 1.12 2.52 -0.06 0.00 -3.07 0.00 0.00 36.82 37.34 3iwq h ILE 16 CO -0.11 0.60 -0.12 0.74 -0.69 0.00 0.00 178.15 178.57 3iwq h THR 17 N -0.03 0.61 -0.16 -0.27 2.02 -1.62 -0.08 112.91 113.38 3iwq h THR 17 Ca -0.07 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 3iwq h THR 17 Cb 1.32 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3iwq h THR 17 CO 0.12 0.00 -0.35 -0.65 0.37 0.00 0.00 175.52 175.01 3iwq h PRO 18 N -0.08 0.32 -0.30 6.66 0.11 -1.74 -2.68 132.00 134.29 3iwq h PRO 18 Ca 0.14 -0.14 0.06 0.00 0.11 0.00 0.00 66.00 66.17 3iwq h PRO 18 Cb 0.29 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.33 3iwq h PRO 18 CO -0.32 0.64 -0.10 1.25 -0.21 0.00 0.00 178.00 179.25 3iwq h LEU 19 N 0.28 -0.36 -0.79 2.35 5.85 -1.12 0.12 115.31 121.63 3iwq h LEU 19 Ca 0.03 0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.95 3iwq h LEU 19 Cb 0.76 0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 3iwq h LEU 19 CO 0.06 -0.13 0.43 0.40 -0.34 0.00 0.00 178.44 178.86 3iwq h ILE 20 N -0.04 0.87 -0.19 4.05 2.04 -0.86 -0.04 117.51 123.33 3iwq h ILE 20 Ca 0.15 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3iwq h ILE 20 Cb 0.27 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3iwq h ILE 20 CO -0.33 0.13 0.01 -0.33 0.00 0.00 0.00 178.15 177.63 3iwq h GLU 21 N 0.72 0.34 -0.57 2.37 4.39 -1.04 0.17 114.58 120.95 3iwq h GLU 21 Ca 0.39 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 3iwq h GLU 21 Cb 0.40 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3iwq h GLU 21 CO -0.27 0.53 0.30 1.96 -1.16 0.00 0.00 179.01 180.37 3iwq h GLN 22 N 0.10 0.79 -0.02 2.33 4.20 -0.43 -3.08 115.11 118.99 3iwq h GLN 22 Ca 0.06 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3iwq h GLN 22 Cb 0.37 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3iwq h GLN 22 CO 0.01 0.59 -0.21 1.04 -0.67 0.00 0.00 178.83 179.60 3iwq n GLN 23 N -4.38 1.69 -3.76 1.46 1.13 -0.06 -4.98 117.38 108.48 3iwq n GLN 23 Ca 0.05 -1.37 -0.26 0.00 -1.94 0.00 0.00 57.00 53.48 3iwq n GLN 23 Cb 0.11 -1.41 0.04 0.00 0.11 0.00 0.00 30.24 29.10 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 -6.08 -2.41 -1.09 5.02 -0.01 -4.95 118.16 109.24 3iwq n LYS 24 Ca 0.10 0.68 -0.42 0.00 -2.02 0.00 0.00 58.31 56.65 3iwq n LYS 24 Cb 0.48 -5.55 -0.03 0.00 -0.02 0.00 0.00 35.03 29.92 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 -3.38 4.17 0.21 -0.18 1.01 -0.86 -4.94 121.20 117.22 3iwq s ILE 25 Ca 0.47 1.49 -0.01 0.00 0.00 0.00 0.00 60.65 62.60 3iwq s ILE 25 Cb -0.22 -3.96 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 3iwq s ILE 25 CO 0.80 -0.02 1.53 -0.65 0.00 0.00 0.00 174.94 176.59 3iwq h PRO 26 N 7.64 0.48 -2.86 2.79 0.11 -1.88 -3.46 132.00 134.83 3iwq h PRO 26 Ca -0.34 -0.30 -0.12 0.00 0.11 0.00 0.00 66.00 65.36 3iwq h PRO 26 Cb 1.16 0.03 -0.22 0.00 0.11 0.00 0.00 31.00 32.08 3iwq h PRO 26 CO 0.90 0.90 -0.23 0.20 -0.21 0.00 0.00 178.00 179.55 3iwq s GLY 27 N -4.17 -0.24 -0.16 -0.55 0.00 -1.22 -0.73 107.32 100.26 3iwq s GLY 27 Ca -0.07 0.71 -0.14 0.00 0.00 0.00 0.00 44.72 45.22 3iwq s GLY 27 CO 0.83 0.51 0.42 -0.29 0.00 0.00 0.00 173.10 174.57 3iwq s MET 28 N -0.71 0.47 -0.03 2.90 1.75 -0.64 -2.18 119.30 120.86 3iwq s MET 28 Ca -0.08 0.63 0.05 0.00 -1.25 0.00 0.00 55.69 55.05 3iwq s MET 28 Cb -0.04 0.18 -0.01 0.00 2.84 0.00 0.00 34.83 37.81 3iwq s MET 28 CO 0.03 -0.08 -0.19 0.00 -0.65 0.00 0.00 175.02 174.13 3iwq s ALA 29 N 0.48 1.65 -0.02 4.11 0.00 -0.17 -1.22 121.76 126.59 3iwq s ALA 29 Ca -0.02 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.18 3iwq s ALA 29 Cb -0.04 -0.48 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 3iwq s ALA 29 CO -0.02 0.35 -0.17 0.08 0.00 0.00 0.00 175.76 176.00 3iwq s VAL 30 N -0.23 1.38 -0.04 0.00 1.01 -0.06 -1.31 120.40 121.15 3iwq s VAL 30 Ca 0.02 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.34 3iwq s VAL 30 Cb -0.10 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3iwq s VAL 30 CO 0.01 0.39 -0.24 0.00 0.00 0.00 0.00 175.10 175.26 3iwq s ALA 31 N -0.23 2.22 -0.15 5.51 0.00 -0.51 -1.00 121.76 127.60 3iwq s ALA 31 Ca 0.03 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.93 3iwq s ALA 31 Cb -0.09 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.38 3iwq s ALA 31 CO 0.00 0.48 -0.18 0.08 0.00 0.00 0.00 175.76 176.14 3iwq s VAL 32 N -0.41 2.38 -0.29 0.00 1.01 -0.15 -0.79 120.40 122.15 3iwq s VAL 32 Ca 0.04 -0.87 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 3iwq s VAL 32 Cb -0.12 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3iwq s VAL 32 CO 0.01 0.53 0.25 -0.63 0.00 0.00 0.00 175.10 175.26 3iwq s ILE 33 N 0.81 5.27 -0.09 2.22 1.09 0.32 -0.57 121.20 130.25 3iwq s ILE 33 Ca -0.06 0.20 0.00 0.00 -1.10 0.00 0.00 60.65 59.69 3iwq s ILE 33 Cb -0.15 -3.61 0.02 0.00 -1.06 0.00 0.00 42.46 37.65 3iwq s ILE 33 CO -0.01 0.17 -0.07 -0.47 -0.10 0.00 0.00 174.94 174.46 3iwq s TYR 34 N 1.84 1.27 -1.52 3.97 5.04 -0.02 -1.06 117.35 126.87 3iwq s TYR 34 Ca 0.09 -0.55 -0.13 0.00 -2.44 0.00 0.00 57.07 54.05 3iwq s TYR 34 Cb -0.16 -1.06 0.08 0.00 0.35 0.00 0.00 41.96 41.17 3iwq s TYR 34 CO 0.11 -0.39 0.94 1.04 -1.34 0.00 0.00 175.55 175.91 3iwq n GLN 35 N 4.60 -5.32 -0.85 4.97 6.02 -1.04 -1.71 117.38 124.04 3iwq n GLN 35 Ca -0.16 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 3iwq n GLN 35 Cb 0.50 -5.43 0.00 0.00 1.02 0.00 0.00 30.24 26.34 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 -1.68 0.37 3.59 1.08 0.00 -0.65 -5.01 105.19 102.89 3iwq n GLY 36 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3iwq n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iwq s LYS 37 N -0.77 3.12 0.17 1.61 2.20 -0.70 -5.01 119.74 120.37 3iwq s LYS 37 Ca 0.00 -0.49 -0.24 0.00 -0.36 0.00 0.00 55.97 54.88 3iwq s LYS 37 Cb 0.00 -2.76 -0.08 0.00 -1.51 0.00 0.00 37.83 33.48 3iwq s LYS 37 CO 0.00 0.55 0.75 -1.25 -0.36 0.00 0.00 175.35 175.03 3iwq s PRO 38 N -0.47 4.49 -0.01 4.03 0.04 -1.26 -0.84 135.00 140.97 3iwq s PRO 38 Ca 0.08 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.24 3iwq s PRO 38 Cb -0.12 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.21 3iwq s PRO 38 CO 0.02 0.55 -0.16 0.71 0.04 0.00 0.00 177.00 178.17 3iwq s TYR 39 N -1.20 1.41 0.05 0.56 1.51 0.27 -4.97 117.35 114.97 3iwq s TYR 39 Ca 0.36 -0.27 0.08 0.00 -1.01 0.00 0.00 57.07 56.23 3iwq s TYR 39 Cb -0.22 -0.91 -0.03 0.00 -0.11 0.00 0.00 41.96 40.69 3iwq s TYR 39 CO 0.25 -0.03 -0.21 0.71 -1.11 0.00 0.00 175.55 175.16 3iwq s TYR 40 N -0.36 2.48 -0.02 2.71 2.02 -1.26 -0.98 117.35 121.93 3iwq s TYR 40 Ca 0.06 -0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 56.44 3iwq s TYR 40 Cb -0.06 -1.43 0.01 0.00 -0.40 0.00 0.00 41.96 40.09 3iwq s TYR 40 CO -0.01 0.23 0.06 -0.06 -1.57 0.00 0.00 175.55 174.20 3iwq s PHE 41 N -0.91 -0.05 0.03 2.71 0.40 -0.17 -5.01 117.98 114.97 3iwq s PHE 41 Ca 0.14 0.17 0.02 0.00 -0.60 0.00 0.00 56.93 56.65 3iwq s PHE 41 Cb -0.10 -0.03 -0.02 0.00 0.51 0.00 0.00 43.02 43.38 3iwq s PHE 41 CO 0.05 -0.05 -0.06 0.95 0.70 0.00 0.00 175.22 176.80 3iwq s THR 42 N 0.30 0.46 -0.03 0.64 -4.23 -1.26 -0.88 115.64 110.64 3iwq s THR 42 Ca -0.02 -0.77 -0.03 0.00 -1.18 0.00 0.00 61.69 59.69 3iwq s THR 42 Cb -0.03 -0.49 0.01 0.00 1.34 0.00 0.00 72.50 73.33 3iwq s THR 42 CO -0.01 -0.22 0.08 0.26 -0.54 0.00 0.00 174.62 174.18 3iwq s TRP 43 N -0.95 -0.06 0.00 3.99 0.51 -0.36 -5.01 118.94 117.05 3iwq s TRP 43 Ca -0.06 0.16 0.00 0.00 -2.12 0.00 0.00 56.10 54.07 3iwq s TRP 43 Cb -0.07 0.01 0.00 0.00 -0.81 0.00 0.00 33.47 32.60 3iwq s TRP 43 CO 0.00 -0.06 0.00 0.41 -0.51 0.00 0.00 176.95 176.79 3iwq n GLY 44 N 2.89 -0.34 3.25 0.98 0.00 -1.26 -1.62 105.19 109.09 3iwq n GLY 44 Ca -0.13 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 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 2.34 0.16 1.61 4.12 0.10 -1.78 117.35 123.89 3iwq s TYR 45 Ca 0.00 -0.69 -0.03 0.00 0.02 0.00 0.00 57.07 56.37 3iwq s TYR 45 Cb 0.00 -1.54 0.01 0.00 -1.52 0.00 0.00 41.96 38.91 3iwq s TYR 45 CO 0.00 -0.21 1.40 0.00 0.02 0.00 0.00 175.55 176.76 3iwq h ALA 46 N 6.07 0.52 -3.20 3.71 0.00 -0.96 -3.23 119.26 122.17 3iwq h ALA 46 Ca -0.32 -0.62 -0.48 0.00 0.00 0.00 0.00 54.91 53.49 3iwq h ALA 46 Cb 1.17 -0.05 -0.40 0.00 0.00 0.00 0.00 17.79 18.52 3iwq h ALA 46 CO 0.47 0.76 -0.76 0.34 0.00 0.00 0.00 179.25 180.06 3iwq s ASP 47 N -7.01 2.44 0.01 0.00 -1.08 -1.14 -1.20 116.67 108.69 3iwq s ASP 47 Ca -0.06 -0.60 -0.25 0.00 -0.52 0.00 0.00 52.55 51.12 3iwq s ASP 47 Cb 0.10 -0.43 -0.18 0.00 -1.46 0.00 0.00 42.92 40.95 3iwq s ASP 47 CO 0.85 -0.30 1.36 0.40 0.52 0.00 0.00 175.17 178.00 3iwq h ILE 48 N 6.45 1.05 -0.61 4.11 2.04 -1.86 -1.13 117.51 127.57 3iwq h ILE 48 Ca -0.16 -0.70 0.12 0.00 1.00 0.00 0.00 64.86 65.13 3iwq h ILE 48 Cb 1.13 1.48 -0.10 0.00 -0.74 0.00 0.00 36.82 38.60 3iwq h ILE 48 CO 0.30 0.17 0.04 0.00 0.00 0.00 0.00 178.15 178.66 3iwq h ALA 49 N 0.34 0.64 -0.01 1.87 0.00 -1.98 -1.48 119.26 118.64 3iwq h ALA 49 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3iwq h ALA 49 Cb 0.39 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3iwq h ALA 49 CO 0.03 -0.37 -0.04 1.63 0.00 0.00 0.00 179.25 180.49 3iwq n LYS 50 N -5.23 1.03 -4.14 0.00 5.02 -1.21 -4.93 118.16 108.69 3iwq n LYS 50 Ca 0.09 -0.33 -0.34 0.00 -2.02 0.00 0.00 58.31 55.71 3iwq n LYS 50 Cb 0.35 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.85 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 -0.70 -3.57 -2.88 1.97 5.02 -0.54 -4.93 118.16 112.54 3iwq n LYS 51 Ca 0.19 0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 56.47 3iwq n LYS 51 Cb 0.24 -5.10 -0.04 0.00 -0.02 0.00 0.00 35.03 30.11 3iwq n LYS 51 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3iwq s GLN 52 N -6.84 4.24 0.69 1.97 2.00 -0.56 -4.99 119.66 116.17 3iwq s GLN 52 Ca 0.64 1.00 -0.14 0.00 -2.00 0.00 0.00 55.36 54.86 3iwq s GLN 52 Cb -0.35 -3.61 0.01 0.00 0.80 0.00 0.00 33.01 29.87 3iwq s GLN 52 CO 0.91 -0.43 1.11 -1.25 -0.50 0.00 0.00 175.29 175.13 3iwq s PRO 53 N 2.51 2.66 0.20 1.67 0.04 -1.26 -0.50 135.00 140.31 3iwq s PRO 53 Ca 0.37 1.35 -0.30 0.00 0.04 0.00 0.00 61.00 62.46 3iwq s PRO 53 Cb -0.16 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 3iwq s PRO 53 CO 0.10 -1.36 1.36 0.08 0.04 0.00 0.00 177.00 177.22 3iwq s VAL 54 N -2.46 3.08 0.40 -0.36 1.01 -0.74 -4.20 120.40 117.14 3iwq s VAL 54 Ca 0.66 0.87 0.05 0.00 0.00 0.00 0.00 61.98 63.56 3iwq s VAL 54 Cb -0.20 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3iwq s VAL 54 CO 0.45 0.12 0.16 0.42 0.00 0.00 0.00 175.10 176.25 3iwq s THR 55 N 0.26 0.44 -0.44 3.92 -4.23 -1.26 -4.78 115.64 109.55 3iwq s THR 55 Ca 0.59 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.31 3iwq s THR 55 Cb -0.38 -2.35 0.21 0.00 1.34 0.00 0.00 72.50 71.33 3iwq s THR 55 CO 0.38 0.00 1.64 0.00 -0.54 0.00 0.00 174.62 176.10 3iwq n GLN 56 N -0.87 0.15 -0.02 3.99 6.02 -1.26 -2.01 117.38 123.38 3iwq n GLN 56 Ca -0.03 0.50 0.12 0.00 -0.01 0.00 0.00 57.00 57.58 3iwq n GLN 56 Cb 0.64 -1.86 0.17 0.00 1.02 0.00 0.00 30.24 30.21 3iwq n GLN 56 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3iwq n GLN 57 N -2.16 2.25 -2.45 -1.09 0.00 -1.26 -4.09 117.38 108.59 3iwq n GLN 57 Ca 0.01 -1.83 -0.42 0.00 0.00 0.00 0.00 57.00 54.76 3iwq n GLN 57 Cb 0.14 -1.47 -0.03 0.00 0.00 0.00 0.00 30.24 28.88 3iwq n GLN 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3iwq s THR 58 N -1.94 4.06 -0.11 -0.39 2.01 -0.85 -4.85 115.64 113.56 3iwq s THR 58 Ca 0.30 1.50 -0.20 0.00 0.31 0.00 0.00 61.69 63.61 3iwq s THR 58 Cb 0.20 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 3iwq s THR 58 CO 0.31 0.13 0.55 -0.76 -0.69 0.00 0.00 174.62 174.16 3iwq s LEU 59 N 0.90 4.28 0.06 4.42 1.02 0.10 -4.05 118.68 125.42 3iwq s LEU 59 Ca 0.57 0.92 0.06 0.00 0.02 0.00 0.00 54.13 55.70 3iwq s LEU 59 Cb -0.29 -2.82 -0.04 0.00 0.02 0.00 0.00 46.19 43.06 3iwq s LEU 59 CO 0.30 -0.05 -0.09 -0.36 0.02 0.00 0.00 176.35 176.17 3iwq s PHE 60 N 0.74 2.80 -0.05 0.29 0.40 0.27 -1.26 117.98 121.17 3iwq s PHE 60 Ca 0.29 -0.11 -0.30 0.00 -0.60 0.00 0.00 56.93 56.21 3iwq s PHE 60 Cb -0.16 -1.50 -0.05 0.00 0.51 0.00 0.00 43.02 41.82 3iwq s PHE 60 CO 0.13 0.40 1.52 -1.21 0.70 0.00 0.00 175.22 176.76 3iwq s GLU 61 N -1.88 4.22 0.39 0.44 2.02 -1.26 -1.17 118.70 121.46 3iwq s GLU 61 Ca 0.20 2.05 0.24 0.00 0.02 0.00 0.00 54.97 57.47 3iwq s GLU 61 Cb -0.11 -3.82 0.42 0.00 0.10 0.00 0.00 34.13 30.72 3iwq s GLU 61 CO 0.11 -0.75 1.63 -0.07 0.02 0.00 0.00 175.26 176.20 3iwq h LEU 62 N 9.57 0.00 0.00 1.80 3.38 -1.57 -3.44 115.31 125.06 3iwq h LEU 62 Ca -0.37 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3iwq h LEU 62 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 3iwq h LEU 62 CO 0.94 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.08 3iwq n GLY 63 N 1.14 2.98 0.02 0.83 0.00 -1.24 -2.36 105.19 106.57 3iwq n GLY 63 Ca 0.04 -0.24 0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 2.00 0.08 0.29 1.61 7.64 -1.25 -0.88 113.62 123.11 3iwq n SER 64 Ca 0.00 0.53 0.18 0.00 1.01 0.00 0.00 58.87 60.59 3iwq n SER 64 Cb 0.00 -0.54 0.97 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.26 -0.29 0.44 2.07 -1.55 -1.48 116.25 115.70 3iwq h VAL 65 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3iwq h VAL 65 Cb 0.10 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3iwq h VAL 65 CO 0.00 0.00 0.20 0.28 0.02 0.00 0.00 177.57 178.07 3iwq h SER 66 N 0.00 0.22 -0.35 0.57 0.02 -1.21 -1.35 113.55 111.45 3iwq h SER 66 Ca 0.03 -0.00 0.10 0.00 -0.84 0.00 0.00 61.79 61.08 3iwq h SER 66 Cb 0.27 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 3iwq h SER 66 CO -0.00 0.15 0.38 0.11 -1.14 0.00 0.00 176.83 176.33 3iwq h LYS 67 N 0.25 0.00 -0.22 3.45 1.57 -1.39 0.17 116.57 120.41 3iwq h LYS 67 Ca 0.12 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 3iwq h LYS 67 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 3iwq h LYS 67 CO -0.02 0.00 -0.48 1.79 -0.57 0.00 0.00 179.45 180.17 3iwq h THR 68 N 0.00 1.31 -0.47 -0.16 1.35 -1.43 -0.01 112.91 113.50 3iwq h THR 68 Ca 0.17 -1.68 -0.11 0.00 -0.55 0.00 0.00 66.41 64.24 3iwq h THR 68 Cb 0.93 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 3iwq h THR 68 CO -0.00 0.53 -0.12 -0.26 -0.25 0.00 0.00 175.52 175.42 3iwq h PHE 69 N 0.47 1.02 -0.64 4.73 0.04 -1.11 -2.15 116.94 119.31 3iwq h PHE 69 Ca 0.03 -0.22 -0.09 0.00 2.80 0.00 0.00 57.97 60.48 3iwq h PHE 69 Cb 1.01 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 3iwq h PHE 69 CO 0.04 1.00 0.05 1.15 -0.60 0.00 0.00 178.31 179.95 3iwq h THR 70 N 0.76 1.26 -0.46 -1.55 2.02 -1.23 -0.78 112.91 112.93 3iwq h THR 70 Ca 0.12 -1.10 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 3iwq h THR 70 Cb 0.67 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 3iwq h THR 70 CO 0.05 0.41 0.16 1.23 0.37 0.00 0.00 175.52 177.74 3iwq h GLY 71 N 1.02 0.75 1.23 2.16 0.00 -0.86 -0.53 103.07 106.85 3iwq h GLY 71 Ca 0.19 -0.43 -0.12 0.00 0.00 0.00 0.00 47.33 46.97 3iwq h GLY 71 CO 0.02 0.40 -0.19 -2.08 0.00 0.00 0.00 176.54 174.69 3iwq h VAL 72 N 0.60 1.27 -0.56 4.60 2.07 -1.23 0.15 116.25 123.15 3iwq h VAL 72 Ca 0.15 -1.32 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 3iwq h VAL 72 Cb 0.23 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3iwq h VAL 72 CO -0.01 0.45 0.06 0.25 0.02 0.00 0.00 177.57 178.35 3iwq h LEU 73 N 0.77 0.91 -0.28 2.57 5.85 -0.96 0.34 115.31 124.51 3iwq h LEU 73 Ca 0.11 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3iwq h LEU 73 Cb 0.73 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3iwq h LEU 73 CO 0.06 0.96 0.18 1.23 -0.34 0.00 0.00 178.44 180.53 3iwq h GLY 74 N 0.83 0.40 0.20 3.75 0.00 -0.74 -1.17 103.07 106.34 3iwq h GLY 74 Ca 0.17 -0.16 0.11 0.00 0.00 0.00 0.00 47.33 47.45 3iwq h GLY 74 CO 0.02 0.15 0.14 -1.33 0.00 0.00 0.00 176.54 175.52 3iwq h GLY 75 N 0.38 0.79 1.00 4.60 0.00 -0.17 -0.96 103.07 108.70 3iwq h GLY 75 Ca 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3iwq h GLY 75 CO -0.02 -0.10 0.42 -1.80 0.00 0.00 0.00 176.54 175.04 3iwq h ASP 76 N 0.28 0.82 -0.30 0.19 3.58 -0.03 -0.85 116.42 120.11 3iwq h ASP 76 Ca 0.32 -0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.66 3iwq h ASP 76 Cb 0.46 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 3iwq h ASP 76 CO -0.39 0.63 0.04 0.00 -2.88 0.00 0.00 179.24 176.64 3iwq h ALA 77 N 1.22 1.34 -0.19 -0.78 0.00 -0.60 -1.17 119.26 119.09 3iwq h ALA 77 Ca 0.25 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3iwq h ALA 77 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3iwq h ALA 77 CO -0.05 0.46 0.06 0.82 0.00 0.00 0.00 179.25 180.54 3iwq h ILE 78 N 0.58 1.19 0.00 0.00 2.04 -0.63 -1.14 117.51 119.54 3iwq h ILE 78 Ca 0.13 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3iwq h ILE 78 Cb 0.31 1.23 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 3iwq h ILE 78 CO 0.01 0.18 -0.13 0.00 0.00 0.00 0.00 178.15 178.21 3iwq h ALA 79 N 0.88 1.66 0.00 1.87 0.00 -0.68 -0.58 119.26 122.41 3iwq h ALA 79 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3iwq h ALA 79 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3iwq h ALA 79 CO -0.00 0.16 0.00 0.54 0.00 0.00 0.00 179.25 179.95 3iwq n ARG 80 N -4.20 0.27 -1.28 0.00 1.74 -0.49 -4.91 116.66 107.79 3iwq n ARG 80 Ca -0.02 0.03 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 3iwq n ARG 80 Cb 0.20 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.12 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 1.14 0.85 0.11 -0.13 0.00 -0.22 -4.93 105.19 102.00 3iwq n GLY 81 Ca 0.11 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 0.22 -4.68 1.61 5.08 -1.40 -3.48 114.58 111.94 3iwq h GLU 82 Ca -0.15 -0.37 -0.24 0.00 -1.00 0.00 0.00 59.36 57.60 3iwq h GLU 82 Cb 0.51 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.76 3iwq h GLU 82 CO 0.21 1.06 -0.68 0.96 -1.00 0.00 0.00 179.01 179.56 3iwq s ILE 83 N -2.62 0.64 0.02 3.13 -4.36 -1.19 -4.81 121.20 112.01 3iwq s ILE 83 Ca -0.09 -1.95 0.05 0.00 -0.26 0.00 0.00 60.65 58.41 3iwq s ILE 83 Cb 0.07 -1.84 -0.02 0.00 1.25 0.00 0.00 42.46 41.92 3iwq s ILE 83 CO 0.84 -0.73 -0.16 -0.54 0.24 0.00 0.00 174.94 174.59 3iwq s LYS 84 N -3.87 1.18 0.54 0.37 1.02 -1.26 -4.27 119.74 113.45 3iwq s LYS 84 Ca 0.16 -0.70 0.33 0.00 0.02 0.00 0.00 55.97 55.78 3iwq s LYS 84 Cb 0.06 -1.19 1.39 0.00 -0.52 0.00 0.00 37.83 37.57 3iwq s LYS 84 CO -0.02 0.31 2.00 -0.07 -0.92 0.00 0.00 175.35 176.65 3iwq h LEU 85 N 5.29 0.00 0.00 3.17 3.38 -1.99 -2.28 115.31 122.89 3iwq h LEU 85 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3iwq h LEU 85 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3iwq h LEU 85 CO 0.46 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.49 3iwq n SER 86 N -3.17 0.00 -4.78 -0.43 3.41 -1.26 -1.42 113.62 105.97 3iwq n SER 86 Ca 0.00 0.41 -0.37 0.00 -0.26 0.00 0.00 58.87 58.65 3iwq n SER 86 Cb 0.30 -0.47 -0.05 0.00 -0.26 0.00 0.00 64.21 63.73 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 -2.93 7.07 0.40 4.04 1.01 -0.86 -4.83 116.67 120.56 3iwq s ASP 87 Ca 0.15 1.95 -0.26 0.00 0.71 0.00 0.00 52.55 55.10 3iwq s ASP 87 Cb 0.18 -2.58 -0.11 0.00 1.01 0.00 0.00 42.92 41.42 3iwq s ASP 87 CO 0.47 -0.27 1.23 -2.65 0.21 0.00 0.00 175.17 174.17 3iwq n PRO 88 N 0.29 1.87 -0.35 8.23 -0.02 -1.26 -1.45 135.00 142.31 3iwq n PRO 88 Ca 0.03 0.66 0.09 0.00 -2.02 0.00 0.00 63.50 62.26 3iwq n PRO 88 Cb 0.50 -2.31 0.26 0.00 -0.02 0.00 0.00 33.50 31.93 3iwq n PRO 88 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3iwq h THR 89 N 2.11 0.83 0.00 3.45 2.02 -1.44 -1.69 112.91 118.19 3iwq h THR 89 Ca -0.47 -0.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.40 3iwq h THR 89 Cb 1.30 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3iwq h THR 89 CO 0.60 0.16 -0.08 0.74 0.37 0.00 0.00 175.52 177.31 3iwq h THR 90 N 0.87 0.70 -0.92 3.16 2.02 -1.81 -2.59 112.91 114.34 3iwq h THR 90 Ca 0.51 -0.31 0.14 0.00 0.77 0.00 0.00 66.41 67.53 3iwq h THR 90 Cb 0.63 1.18 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 3iwq h THR 90 CO -0.31 0.08 0.59 0.50 0.37 0.00 0.00 175.52 176.74 3iwq h LYS 91 N 0.00 0.74 -0.02 6.66 3.64 -1.66 -2.09 116.57 123.83 3iwq h LYS 91 Ca -0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3iwq h LYS 91 Cb 0.18 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3iwq h LYS 91 CO 0.01 0.49 -0.02 0.66 -2.27 0.00 0.00 179.45 178.32 3iwq n TYR 92 N -4.58 0.00 -3.17 1.91 4.02 -0.99 -4.54 117.16 109.82 3iwq n TYR 92 Ca 0.18 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.86 3iwq n TYR 92 Cb 0.44 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.70 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 1.07 -1.47 0.30 -0.72 -0.00 -0.81 -4.98 117.44 110.83 3iwq n TRP 93 Ca 0.12 -2.92 0.18 0.00 -0.00 0.00 0.00 57.50 54.88 3iwq n TRP 93 Cb 0.50 0.41 0.90 0.00 -0.00 0.00 0.00 31.31 33.12 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 4.90 0.00 0.00 5.87 0.13 -1.73 0.11 132.00 141.28 3iwq h PRO 94 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3iwq h PRO 94 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3iwq h PRO 94 CO 0.34 0.03 0.00 0.93 -0.23 0.00 0.00 178.00 179.07 3iwq h GLU 95 N 0.00 0.00 -5.63 0.86 3.07 -1.94 -3.38 114.58 107.56 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 0.27 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.07 3iwq h GLU 95 CO 0.00 0.00 1.79 -1.17 -1.40 0.00 0.00 179.01 178.23 3iwq s LEU 96 N -5.64 4.10 -0.01 1.33 2.96 0.36 -4.77 118.68 117.02 3iwq s LEU 96 Ca 0.00 -2.32 0.20 0.00 -0.22 0.00 0.00 54.13 51.79 3iwq s LEU 96 Cb 0.10 -2.53 -0.24 0.00 0.50 0.00 0.00 46.19 44.01 3iwq s LEU 96 CO 0.45 -1.15 0.74 0.35 -1.32 0.00 0.00 176.35 175.43 3iwq n THR 97 N 6.08 0.00 -1.76 3.68 -2.24 -1.26 -4.76 114.28 114.01 3iwq n THR 97 Ca 0.41 -0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.65 3iwq n THR 97 Cb 0.47 0.74 0.03 0.00 -2.10 0.00 0.00 70.33 69.47 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 -3.03 3.02 0.38 6.98 0.00 -1.26 -4.90 121.76 122.96 3iwq s ALA 98 Ca 0.04 1.43 0.17 0.00 0.00 0.00 0.00 51.96 53.59 3iwq s ALA 98 Cb 0.15 -3.59 0.98 0.00 0.00 0.00 0.00 23.12 20.65 3iwq s ALA 98 CO 0.83 -1.33 1.92 1.57 0.00 0.00 0.00 175.76 178.75 3iwq h LYS 99 N 1.85 0.00 0.00 0.00 2.10 -1.94 -2.56 116.57 116.03 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 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3iwq h LYS 99 CO 0.59 0.26 0.00 0.00 -2.00 0.00 0.00 179.45 178.30 3iwq n GLN 100 N -3.98 0.02 0.08 0.07 0.00 -1.26 -1.84 117.38 110.47 3iwq n GLN 100 Ca -0.02 0.32 0.12 0.00 0.00 0.00 0.00 57.00 57.42 3iwq n GLN 100 Cb 0.33 -1.55 0.25 0.00 0.00 0.00 0.00 30.24 29.28 3iwq n GLN 100 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 3iwq h TRP 101 N 0.00 0.00 -2.24 2.61 4.06 -1.82 -3.44 115.95 115.12 3iwq h TRP 101 Ca 0.00 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.39 3iwq h TRP 101 Cb 0.21 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.39 3iwq h TRP 101 CO 0.00 0.00 1.19 0.09 -3.56 0.00 0.00 178.44 176.16 3iwq n ASN 102 N -2.19 3.92 0.00 -3.49 4.13 -0.77 -1.37 115.26 115.49 3iwq n ASN 102 Ca 0.04 0.92 0.00 0.00 1.68 0.00 0.00 54.58 57.22 3iwq n ASN 102 Cb 0.44 -1.47 0.00 0.00 -1.54 0.00 0.00 39.78 37.21 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 4.53 0.53 3.60 7.41 0.00 -1.26 -5.04 105.19 114.95 3iwq n GLY 103 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.23 5.02 0.44 -0.61 1.01 -0.47 -4.89 121.20 119.46 3iwq s ILE 104 Ca 0.00 0.72 0.08 0.00 0.00 0.00 0.00 60.65 61.45 3iwq s ILE 104 Cb 0.00 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 3iwq s ILE 104 CO 0.00 -0.06 0.41 0.42 0.00 0.00 0.00 174.94 175.71 3iwq s THR 105 N 2.41 2.55 0.48 2.92 -4.23 -1.26 -1.21 115.64 117.30 3iwq s THR 105 Ca 0.21 -1.33 0.13 0.00 -1.18 0.00 0.00 61.69 59.53 3iwq s THR 105 Cb -0.15 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 71.06 3iwq s THR 105 CO 0.11 0.00 2.09 -0.07 -0.54 0.00 0.00 174.62 176.21 3iwq h LEU 106 N 0.94 0.11 -0.25 4.79 3.38 -1.20 -1.62 115.31 121.47 3iwq h LEU 106 Ca -0.40 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.58 3iwq h LEU 106 Cb 1.27 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.97 3iwq h LEU 106 CO 0.56 0.12 0.11 0.25 0.09 0.00 0.00 178.44 179.58 3iwq h LEU 107 N 0.13 0.16 -0.18 1.67 5.85 -1.52 -0.99 115.31 120.42 3iwq h LEU 107 Ca 0.03 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3iwq h LEU 107 Cb 0.06 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3iwq h LEU 107 CO -0.00 0.13 0.02 0.45 -0.34 0.00 0.00 178.44 178.70 3iwq h HIS 108 N 0.25 0.03 -0.42 1.25 3.86 -1.58 -1.75 115.15 116.78 3iwq h HIS 108 Ca 0.10 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.39 3iwq h HIS 108 Cb 0.04 0.01 -0.05 0.00 1.06 0.00 0.00 27.41 28.47 3iwq h HIS 108 CO -0.10 0.00 0.11 -0.07 0.86 0.00 0.00 177.93 178.73 3iwq h LEU 109 N 0.09 0.07 -1.73 2.43 3.38 -1.34 0.26 115.31 118.47 3iwq h LEU 109 Ca 0.08 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3iwq h LEU 109 Cb 0.09 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3iwq h LEU 109 CO -0.12 0.07 -0.16 0.00 0.09 0.00 0.00 178.44 178.32 3iwq h ALA 110 N 1.31 1.65 -0.13 1.53 0.00 -0.80 -2.82 119.26 120.00 3iwq h ALA 110 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3iwq h ALA 110 Cb 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3iwq h ALA 110 CO -0.24 0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.45 3iwq n THR 111 N -4.23 1.35 -2.27 0.00 -2.24 -0.69 -4.46 114.28 101.74 3iwq n THR 111 Ca -0.02 -1.36 -0.16 0.00 -2.27 0.00 0.00 64.05 60.23 3iwq n THR 111 Cb 0.23 0.26 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.41 -0.73 -0.87 4.78 4.01 -0.78 -4.83 117.16 118.32 3iwq n TYR 112 Ca 0.09 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.91 3iwq n TYR 112 Cb 0.46 -3.26 0.21 0.00 -0.31 0.00 0.00 39.34 36.44 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 -3.95 2.00 0.28 -0.72 -2.24 0.01 -1.47 114.28 108.18 3iwq n THR 113 Ca -0.19 -1.82 0.17 0.00 -2.27 0.00 0.00 64.05 59.94 3iwq n THR 113 Cb 0.64 -0.13 0.73 0.00 -2.10 0.00 0.00 70.33 69.47 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 1.38 1.02 0.00 6.98 0.00 -1.80 0.39 119.26 127.24 3iwq h ALA 114 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iwq h ALA 114 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3iwq h ALA 114 CO 0.14 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3iwq n GLY 115 N -0.14 1.34 0.53 0.00 0.00 -1.26 -4.01 105.19 101.65 3iwq n GLY 115 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.05 3.70 -0.02 0.00 -1.26 -0.54 105.19 108.11 3iwq n GLY 116 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.15 3.62 -4.81 0.99 4.77 -1.26 -4.62 117.00 115.55 3iwq n LEU 117 Ca 0.00 1.19 -0.33 0.00 -0.03 0.00 0.00 56.01 56.84 3iwq n LEU 117 Cb 0.17 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 39.76 3iwq n LEU 117 CO 0.00 -0.51 0.71 -2.16 -1.33 0.00 0.00 177.39 174.10 3iwq s PRO 118 N -1.93 3.63 0.21 3.23 0.04 -1.26 -4.73 135.00 134.19 3iwq s PRO 118 Ca 0.56 1.22 -0.12 0.00 0.04 0.00 0.00 61.00 62.70 3iwq s PRO 118 Cb -0.56 -2.08 0.26 0.00 0.04 0.00 0.00 34.50 32.16 3iwq s PRO 118 CO 0.62 -0.56 1.64 1.25 0.04 0.00 0.00 177.00 179.99 3iwq h LEU 119 N 0.98 -0.45 -8.95 -3.56 5.85 -1.91 -3.20 115.31 104.06 3iwq h LEU 119 Ca -0.48 0.17 -0.69 0.00 0.84 0.00 0.00 57.88 57.73 3iwq h LEU 119 Cb 1.21 0.34 -0.21 0.00 0.37 0.00 0.00 40.66 42.36 3iwq h LEU 119 CO 0.59 -0.17 -0.84 -1.10 -0.34 0.00 0.00 178.44 176.57 3iwq s GLN 120 N -6.19 1.62 0.12 1.25 -1.52 -1.26 -0.28 119.66 113.40 3iwq s GLN 120 Ca -0.14 -1.24 -0.31 0.00 -1.95 0.00 0.00 55.36 51.73 3iwq s GLN 120 Cb 0.19 -2.00 -0.08 0.00 -0.22 0.00 0.00 33.01 30.90 3iwq s GLN 120 CO 0.74 0.47 1.34 0.08 -0.25 0.00 0.00 175.29 177.67 3iwq s VAL 121 N -1.04 3.40 0.48 1.09 1.01 -1.26 -4.80 120.40 119.27 3iwq s VAL 121 Ca 0.15 1.03 -0.23 0.00 0.00 0.00 0.00 61.98 62.93 3iwq s VAL 121 Cb -0.10 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 3iwq s VAL 121 CO 0.07 0.10 1.09 -2.65 0.00 0.00 0.00 175.10 173.71 3iwq n PRO 122 N 3.68 1.41 -0.10 2.72 -0.02 -1.26 -4.85 135.00 136.58 3iwq n PRO 122 Ca 0.10 0.51 0.23 0.00 -2.02 0.00 0.00 63.50 62.32 3iwq n PRO 122 Cb 0.43 -2.21 0.67 0.00 -0.02 0.00 0.00 33.50 32.37 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 1.39 0.07 1.08 2.55 3.32 -2.02 -1.64 116.42 121.17 3iwq h ASP 123 Ca -0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3iwq h ASP 123 Cb 1.33 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3iwq h ASP 123 CO 0.56 0.03 0.00 -0.62 -1.72 0.00 0.00 179.24 177.49 3iwq n GLU 124 N -4.36 0.15 -2.66 3.56 4.71 -1.26 -4.62 120.64 116.17 3iwq n GLU 124 Ca 0.14 0.22 -0.43 0.00 -0.01 0.00 0.00 57.16 57.08 3iwq n GLU 124 Cb 0.73 -1.71 -0.02 0.00 -1.01 0.00 0.00 31.44 29.43 3iwq n GLU 124 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3iwq s VAL 125 N -3.11 4.38 0.00 2.62 1.01 -0.62 -4.83 120.40 119.84 3iwq s VAL 125 Ca 0.10 1.32 -0.00 0.00 0.00 0.00 0.00 61.98 63.40 3iwq s VAL 125 Cb 0.13 -4.49 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 3iwq s VAL 125 CO 0.50 -0.77 -0.00 0.29 0.00 0.00 0.00 175.10 175.11 3iwq n LYS 126 N 7.34 0.00 -1.53 2.72 4.01 -1.26 -4.23 118.16 125.20 3iwq n LYS 126 Ca 0.11 0.00 -0.30 0.00 -0.51 0.00 0.00 58.31 57.61 3iwq n LYS 126 Cb 0.48 -0.07 0.10 0.00 -0.51 0.00 0.00 35.03 35.03 3iwq n LYS 126 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 3iwq s SER 127 N -4.94 4.37 0.23 4.39 1.04 -1.26 -4.79 113.70 112.73 3iwq s SER 127 Ca -0.00 1.30 -0.07 0.00 0.48 0.00 0.00 55.95 57.66 3iwq s SER 127 Cb 0.00 -2.02 0.37 0.00 0.10 0.00 0.00 66.02 64.47 3iwq s SER 127 CO 0.00 -2.05 1.73 0.28 0.98 0.00 0.00 173.24 174.18 3iwq h SER 128 N -1.14 0.18 -0.68 7.02 0.02 -1.99 -1.80 113.55 115.15 3iwq h SER 128 Ca -0.47 0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.52 3iwq h SER 128 Cb 1.27 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.88 3iwq h SER 128 CO 0.59 0.08 0.19 0.77 -1.14 0.00 0.00 176.83 177.33 3iwq h SER 129 N 0.38 1.02 -0.90 3.07 4.64 -2.00 -2.07 113.55 117.71 3iwq h SER 129 Ca 0.36 -0.20 0.06 0.00 -0.47 0.00 0.00 61.79 61.54 3iwq h SER 129 Cb 0.52 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.28 3iwq h SER 129 CO -0.38 0.97 0.57 0.44 -0.87 0.00 0.00 176.83 177.55 3iwq h ASP 130 N 1.04 0.90 -0.15 4.97 3.32 -1.74 -1.78 116.42 122.99 3iwq h ASP 130 Ca 0.22 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 3iwq h ASP 130 Cb 0.33 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 3iwq h ASP 130 CO -0.00 0.58 -0.14 0.25 -1.72 0.00 0.00 179.24 178.21 3iwq h LEU 131 N 1.04 0.38 -0.80 1.55 5.85 -1.06 -0.79 115.31 121.47 3iwq h LEU 131 Ca 0.39 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3iwq h LEU 131 Cb 0.15 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3iwq h LEU 131 CO -0.17 0.78 0.52 0.25 -0.34 0.00 0.00 178.44 179.48 3iwq h LEU 132 N -0.02 0.88 -0.38 2.25 5.85 -1.32 -1.95 115.31 120.62 3iwq h LEU 132 Ca 0.02 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3iwq h LEU 132 Cb 0.67 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3iwq h LEU 132 CO 0.04 0.62 0.24 -0.09 -0.34 0.00 0.00 178.44 178.90 3iwq h ARG 133 N 1.04 0.51 0.16 1.25 2.43 -1.08 0.04 114.38 118.74 3iwq h ARG 133 Ca 0.31 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 3iwq h ARG 133 Cb -0.05 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 3iwq h ARG 133 CO -0.09 0.37 -0.28 0.35 -1.51 0.00 0.00 179.97 178.80 3iwq h PHE 134 N 0.50 -0.76 -0.62 2.20 3.57 -0.81 -0.30 116.94 120.73 3iwq h PHE 134 Ca 0.14 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 3iwq h PHE 134 Cb -0.02 0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3iwq h PHE 134 CO -0.04 -0.39 0.09 1.88 -2.23 0.00 0.00 178.31 177.62 3iwq h TYR 135 N -0.52 1.07 -0.05 0.41 0.05 -1.29 -1.26 116.97 115.37 3iwq h TYR 135 Ca 0.02 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 3iwq h TYR 135 Cb 0.53 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 3iwq h TYR 135 CO -0.24 0.91 -0.06 1.96 -1.05 0.00 0.00 178.16 179.69 3iwq h GLN 136 N 0.95 0.07 0.00 4.88 1.08 -0.75 -2.85 115.11 118.48 3iwq h GLN 136 Ca 0.19 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 3iwq h GLN 136 Cb 0.42 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 3iwq h GLN 136 CO 0.01 0.13 -0.79 0.09 -0.95 0.00 0.00 178.83 177.32 3iwq n ASN 137 N -4.43 0.75 -4.72 1.46 5.03 -0.14 -4.85 115.26 108.35 3iwq n ASN 137 Ca -0.02 -0.61 -0.42 0.00 0.87 0.00 0.00 54.58 54.40 3iwq n ASN 137 Cb 0.16 0.67 -0.03 0.00 -1.02 0.00 0.00 39.78 39.56 3iwq n ASN 137 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 3iwq s TRP 138 N -3.02 3.10 -0.21 3.10 -0.00 -0.51 -5.00 118.94 116.41 3iwq s TRP 138 Ca 0.09 0.82 -0.04 0.00 -0.00 0.00 0.00 56.10 56.97 3iwq s TRP 138 Cb 0.17 -3.84 -0.01 0.00 -0.00 0.00 0.00 33.47 29.78 3iwq s TRP 138 CO 0.79 -2.95 -0.03 -0.65 -0.00 0.00 0.00 176.95 174.11 3iwq s GLN 139 N 0.71 3.46 0.39 5.86 -1.52 -1.26 -4.96 119.66 122.33 3iwq s GLN 139 Ca 0.66 -0.59 -0.27 0.00 -1.95 0.00 0.00 55.36 53.20 3iwq s GLN 139 Cb -0.42 -3.02 -0.10 0.00 -0.22 0.00 0.00 33.01 29.25 3iwq s GLN 139 CO 0.34 -0.11 1.42 -1.25 -0.25 0.00 0.00 175.29 175.44 3iwq s PRO 140 N 1.28 4.06 0.36 2.91 0.04 -1.26 -4.94 135.00 137.45 3iwq s PRO 140 Ca 0.04 2.42 0.19 0.00 0.04 0.00 0.00 61.00 63.69 3iwq s PRO 140 Cb -0.14 -2.90 0.45 0.00 0.04 0.00 0.00 34.50 31.95 3iwq s PRO 140 CO -0.01 -0.52 1.62 0.00 0.04 0.00 0.00 177.00 178.14 3iwq h ALA 141 N 2.90 0.86 -2.56 8.56 0.00 -1.08 -3.47 119.26 124.46 3iwq h ALA 141 Ca -0.50 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 53.99 3iwq h ALA 141 Cb 1.24 -0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.84 3iwq h ALA 141 CO 0.64 0.44 -0.37 -1.58 0.00 0.00 0.00 179.25 178.37 3iwq s TRP 142 N -3.29 0.35 0.81 0.00 0.51 -1.08 -5.03 118.94 111.21 3iwq s TRP 142 Ca 0.03 -0.74 -0.11 0.00 -2.12 0.00 0.00 56.10 53.15 3iwq s TRP 142 Cb 0.09 -0.10 0.09 0.00 -0.81 0.00 0.00 33.47 32.73 3iwq s TRP 142 CO 0.69 -0.63 1.13 0.00 -0.51 0.00 0.00 176.95 177.63 3iwq s ALA 143 N -3.93 1.94 0.61 0.98 0.00 -1.26 -4.43 121.76 115.66 3iwq s ALA 143 Ca 0.13 0.50 -0.18 0.00 0.00 0.00 0.00 51.96 52.41 3iwq s ALA 143 Cb 0.04 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3iwq s ALA 143 CO -0.04 -2.15 1.17 -2.14 0.00 0.00 0.00 175.76 172.60 3iwq s PRO 144 N -4.61 2.95 -1.01 0.00 0.02 -1.26 -3.50 135.00 127.60 3iwq s PRO 144 Ca 0.66 1.68 0.00 0.00 0.02 0.00 0.00 61.00 63.36 3iwq s PRO 144 Cb -0.21 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3iwq s PRO 144 CO 0.54 -1.19 0.00 0.41 -0.33 0.00 0.00 177.00 176.44 3iwq n GLY 145 N 0.22 0.45 0.01 0.52 0.00 0.13 -4.89 105.19 101.63 3iwq n GLY 145 Ca 0.12 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.47 0.16 -4.42 2.61 -2.24 -1.23 -4.88 114.28 100.82 3iwq n THR 146 Ca -0.12 -0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.39 3iwq n THR 146 Cb 0.50 -0.74 -0.15 0.00 -2.10 0.00 0.00 70.33 67.84 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 -2.06 0.83 -0.25 -0.78 -1.52 -1.26 -2.06 119.66 112.56 3iwq s GLN 147 Ca -0.03 -0.35 -0.14 0.00 -1.95 0.00 0.00 55.36 52.89 3iwq s GLN 147 Cb 0.01 -0.80 -0.04 0.00 -0.22 0.00 0.00 33.01 31.96 3iwq s GLN 147 CO 0.08 0.20 0.32 0.50 -0.25 0.00 0.00 175.29 176.14 3iwq s ARG 148 N -0.18 4.06 -0.24 2.91 3.52 0.64 -4.27 118.95 125.38 3iwq s ARG 148 Ca 0.03 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.62 3iwq s ARG 148 Cb -0.04 -3.61 0.07 0.00 -1.56 0.00 0.00 34.95 29.80 3iwq s ARG 148 CO -0.00 -0.15 -0.02 -1.17 -0.81 0.00 0.00 175.30 173.15 3iwq s LEU 149 N 1.68 2.46 0.13 -0.88 2.96 -0.54 -1.46 118.68 123.02 3iwq s LEU 149 Ca 0.14 -1.22 -0.34 0.00 -0.22 0.00 0.00 54.13 52.48 3iwq s LEU 149 Cb -0.15 -1.09 -0.14 0.00 0.50 0.00 0.00 46.19 45.31 3iwq s LEU 149 CO 0.09 -0.27 1.57 0.00 -1.32 0.00 0.00 176.35 176.41 3iwq n TYR 150 N 4.72 2.18 -3.66 5.38 4.19 -1.26 -4.79 117.16 123.91 3iwq n TYR 150 Ca -0.10 0.30 -0.06 0.00 3.31 0.00 0.00 57.90 61.35 3iwq n TYR 150 Cb 0.44 -2.52 -0.08 0.00 0.49 0.00 0.00 39.34 37.67 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 1.09 -1.46 0.34 2.98 0.00 -1.26 -4.24 121.76 119.21 3iwq s ALA 151 Ca 0.81 1.81 0.02 0.00 0.00 0.00 0.00 51.96 54.59 3iwq s ALA 151 Cb -0.72 -1.46 0.61 0.00 0.00 0.00 0.00 23.12 21.55 3iwq s ALA 151 CO 0.40 -0.78 1.97 -0.91 0.00 0.00 0.00 175.76 176.44 3iwq h ASN 152 N 8.04 0.78 0.72 0.00 2.35 -0.78 -2.70 115.58 123.99 3iwq h ASN 152 Ca -0.18 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.56 3iwq h ASN 152 Cb 1.11 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.30 3iwq h ASN 152 CO 0.12 0.54 0.00 0.77 -1.65 0.00 0.00 177.43 177.21 3iwq h SER 153 N 0.91 0.00 0.00 5.81 4.64 -1.64 0.69 113.55 123.97 3iwq h SER 153 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3iwq h SER 153 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3iwq h SER 153 CO -0.09 0.00 -0.24 -1.28 -0.87 0.00 0.00 176.83 174.36 3iwq h SER 154 N 0.00 0.00 0.54 4.97 0.87 -1.73 -3.27 113.55 114.93 3iwq h SER 154 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 3iwq h SER 154 Cb 0.36 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3iwq h SER 154 CO 0.00 0.44 -0.50 -0.29 -0.53 0.00 0.00 176.83 175.95 3iwq h ILE 155 N -0.65 1.33 -0.12 2.23 2.10 -1.31 -1.70 117.51 119.39 3iwq h ILE 155 Ca 0.00 -1.75 0.04 0.00 1.08 0.00 0.00 64.86 64.23 3iwq h ILE 155 Cb 0.24 1.95 -0.04 0.00 -1.09 0.00 0.00 36.82 37.88 3iwq h ILE 155 CO 0.00 0.49 -0.12 1.23 -1.08 0.00 0.00 178.15 178.68 3iwq h GLY 156 N 1.59 -0.03 1.01 8.18 0.00 -1.06 -0.25 103.07 112.51 3iwq h GLY 156 Ca -0.01 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.42 3iwq h GLY 156 CO 0.07 -0.13 0.22 -2.00 0.00 0.00 0.00 176.54 174.70 3iwq h LEU 157 N -0.14 0.91 -0.51 3.11 5.85 -1.53 -2.50 115.31 120.50 3iwq h LEU 157 Ca 0.08 -0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.71 3iwq h LEU 157 Cb 0.27 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 3iwq h LEU 157 CO -0.21 0.86 -0.00 0.15 -0.34 0.00 0.00 178.44 178.90 3iwq h PHE 158 N 0.91 -0.04 -0.65 1.25 3.57 -0.76 -0.96 116.94 120.26 3iwq h PHE 158 Ca 0.21 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.75 3iwq h PHE 158 Cb 0.26 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.06 3iwq h PHE 158 CO 0.02 -0.12 0.41 0.78 -2.23 0.00 0.00 178.31 177.17 3iwq h GLY 159 N 0.11 0.94 1.22 2.40 0.00 -0.84 0.16 103.07 107.06 3iwq h GLY 159 Ca 0.26 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 3iwq h GLY 159 CO -0.43 0.37 0.10 0.00 0.00 0.00 0.00 176.54 176.58 3iwq h ALA 160 N 1.22 1.05 0.07 3.60 0.00 -0.96 -2.95 119.26 121.29 3iwq h ALA 160 Ca 0.24 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.64 3iwq h ALA 160 Cb -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3iwq h ALA 160 CO -0.05 0.61 -1.21 -0.07 0.00 0.00 0.00 179.25 178.54 3iwq h LEU 161 N 0.91 0.24 -1.98 0.00 3.38 -0.87 -3.31 115.31 113.68 3iwq h LEU 161 Ca 0.19 -0.27 0.06 0.00 0.09 0.00 0.00 57.88 57.94 3iwq h LEU 161 Cb 0.39 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3iwq h LEU 161 CO 0.01 1.22 0.15 0.00 0.09 0.00 0.00 178.44 179.90 3iwq h ALA 162 N 0.75 2.17 -0.01 1.53 0.00 -0.51 -1.97 119.26 121.22 3iwq h ALA 162 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3iwq h ALA 162 Cb 1.90 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3iwq h ALA 162 CO 0.17 -0.23 -0.39 1.33 0.00 0.00 0.00 179.25 180.13 3iwq n VAL 163 N -4.48 0.00 -0.03 0.00 0.24 -1.20 -4.50 118.33 108.35 3iwq n VAL 163 Ca 0.02 -0.10 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 3iwq n VAL 163 Cb 0.28 0.47 -0.04 0.00 -1.47 0.00 0.00 33.84 33.08 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 0.90 0.21 -0.70 7.34 1.79 -1.47 -2.69 116.57 121.96 3iwq h LYS 164 Ca 0.00 -0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.54 3iwq h LYS 164 Cb 0.53 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.08 3iwq h LYS 164 CO 0.00 0.14 0.46 -1.35 -1.08 0.00 0.00 179.45 177.62 3iwq h PRO 165 N 0.22 0.61 0.00 3.15 0.11 -1.79 -1.36 132.00 132.94 3iwq h PRO 165 Ca 0.07 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 3iwq h PRO 165 Cb -0.01 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 30.96 3iwq h PRO 165 CO -0.03 0.40 -0.13 0.66 -0.21 0.00 0.00 178.00 178.70 3iwq h SER 166 N 0.62 0.00 0.00 -2.05 4.64 -1.77 -3.46 113.55 111.53 3iwq h SER 166 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3iwq h SER 166 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3iwq h SER 166 CO -0.11 0.13 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3iwq n GLY 167 N -0.72 0.47 3.86 -0.77 0.00 -0.51 -5.03 105.19 102.49 3iwq n GLY 167 Ca -0.02 0.00 -0.31 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 3.89 0.88 0.99 1.43 -1.25 -5.07 118.68 119.55 3iwq s LEU 168 Ca 0.00 1.24 -0.11 0.00 -1.03 0.00 0.00 54.13 54.24 3iwq s LEU 168 Cb 0.00 -4.10 0.13 0.00 0.03 0.00 0.00 46.19 42.24 3iwq s LEU 168 CO 0.00 -0.35 1.15 -0.94 0.23 0.00 0.00 176.35 176.44 3iwq s SER 169 N -2.83 3.17 0.24 2.29 1.04 -1.26 -4.72 113.70 111.63 3iwq s SER 169 Ca 0.53 2.19 -0.06 0.00 0.48 0.00 0.00 55.95 59.10 3iwq s SER 169 Cb -0.10 -2.57 0.31 0.00 0.10 0.00 0.00 66.02 63.76 3iwq s SER 169 CO 0.26 -2.94 1.88 0.15 0.98 0.00 0.00 173.24 173.57 3iwq h PHE 170 N -1.64 1.09 -0.29 5.02 3.57 -1.93 -1.26 116.94 121.50 3iwq h PHE 170 Ca -0.44 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 3iwq h PHE 170 Cb 1.27 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 3iwq h PHE 170 CO 0.50 0.61 0.13 1.49 -2.23 0.00 0.00 178.31 178.81 3iwq h GLU 171 N 1.12 0.43 -0.40 1.11 4.81 -1.99 -0.17 114.58 119.49 3iwq h GLU 171 Ca 0.37 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 3iwq h GLU 171 Cb 0.05 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3iwq h GLU 171 CO -0.14 0.43 0.06 1.96 -0.73 0.00 0.00 179.01 180.60 3iwq h GLN 172 N 0.33 0.67 -0.14 1.92 1.08 -1.87 -0.31 115.11 116.79 3iwq h GLN 172 Ca 0.10 -0.18 0.03 0.00 -1.45 0.00 0.00 58.65 57.15 3iwq h GLN 172 Cb 0.15 -0.08 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 3iwq h GLN 172 CO -0.01 0.72 -0.08 0.00 -0.95 0.00 0.00 178.83 178.51 3iwq h ALA 173 N 0.93 0.05 -0.30 3.87 0.00 -1.20 -0.20 119.26 122.40 3iwq h ALA 173 Ca 0.12 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3iwq h ALA 173 Cb 0.37 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3iwq h ALA 173 CO 0.01 -0.52 0.13 1.98 0.00 0.00 0.00 179.25 180.84 3iwq h MET 174 N -0.07 0.27 0.02 0.00 1.85 -0.86 0.30 114.93 116.44 3iwq h MET 174 Ca 0.08 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.15 3iwq h MET 174 Cb 0.19 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.16 3iwq h MET 174 CO -0.19 0.18 -0.01 1.96 -0.40 0.00 0.00 176.91 178.45 3iwq h GLN 175 N 0.27 -0.03 0.00 0.39 4.20 -0.89 -1.74 115.11 117.32 3iwq h GLN 175 Ca 0.13 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 3iwq h GLN 175 Cb 0.07 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 3iwq h GLN 175 CO -0.11 0.12 -0.74 1.79 -0.67 0.00 0.00 178.83 179.21 3iwq h THR 176 N -0.18 1.30 0.00 -0.54 1.35 -0.92 -0.39 112.91 113.53 3iwq h THR 176 Ca -0.00 -2.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.10 3iwq h THR 176 Cb 0.16 2.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3iwq h THR 176 CO 0.01 0.72 -1.62 0.54 -0.25 0.00 0.00 175.52 174.92 3iwq n ARG 177 N -3.33 0.58 0.07 4.72 1.74 0.08 -4.39 116.66 116.13 3iwq n ARG 177 Ca 0.01 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 3iwq n ARG 177 Cb 0.82 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.79 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 -1.97 0.62 0.10 1.55 0.31 -0.73 -4.74 118.33 113.47 3iwq n VAL 178 Ca -0.01 0.21 -0.13 0.00 -0.01 0.00 0.00 64.34 64.40 3iwq n VAL 178 Cb 0.46 -1.08 -0.06 0.00 -0.91 0.00 0.00 33.84 32.24 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 -0.32 -0.04 3.52 0.04 -1.35 -2.99 116.94 115.80 3iwq h PHE 179 Ca 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3iwq h PHE 179 Cb 0.00 0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.28 3iwq h PHE 179 CO 0.00 -0.19 -0.01 1.96 -0.60 0.00 0.00 178.31 179.46 3iwq h GLN 180 N -0.27 0.08 -0.16 1.51 4.20 -1.31 0.14 115.11 119.30 3iwq h GLN 180 Ca 0.01 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.73 3iwq h GLN 180 Cb 0.26 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 3iwq h GLN 180 CO -0.04 0.45 0.15 -1.35 -0.67 0.00 0.00 178.83 177.37 3iwq h PRO 181 N -0.30 0.00 -0.28 1.46 0.11 -1.77 -0.03 132.00 131.19 3iwq h PRO 181 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3iwq h PRO 181 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 3iwq h PRO 181 CO 0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 3iwq n LEU 182 N -4.02 3.21 -3.73 2.35 4.77 -1.13 -4.95 117.00 113.51 3iwq n LEU 182 Ca 0.01 -1.30 -0.24 0.00 -0.03 0.00 0.00 56.01 54.45 3iwq n LEU 182 Cb 0.27 -0.17 0.04 0.00 -2.33 0.00 0.00 43.42 41.23 3iwq n LEU 182 CO 0.30 0.65 0.05 0.29 -1.33 0.00 0.00 177.39 177.35 3iwq n LYS 183 N 1.37 -5.72 -2.88 3.23 5.02 -0.03 -4.90 118.16 114.26 3iwq n LYS 183 Ca 0.18 0.67 -0.44 0.00 -2.02 0.00 0.00 58.31 56.70 3iwq n LYS 183 Cb 0.59 -5.45 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 3iwq n LYS 183 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3iwq n LEU 184 N -4.49 5.27 0.00 -0.35 4.77 0.38 -4.84 117.00 117.74 3iwq n LEU 184 Ca -0.14 -4.41 0.11 0.00 -0.03 0.00 0.00 56.01 51.53 3iwq n LEU 184 Cb 0.61 -1.63 0.51 0.00 -2.33 0.00 0.00 43.42 40.58 3iwq n LEU 184 CO 0.70 0.70 0.86 0.59 -1.33 0.00 0.00 177.39 178.91 3iwq n ASN 185 N 5.85 0.00 -2.02 -1.43 3.02 -1.26 -3.31 115.26 116.10 3iwq n ASN 185 Ca 0.38 0.34 -0.10 0.00 -0.03 0.00 0.00 54.58 55.17 3iwq n ASN 185 Cb 0.43 -0.44 0.05 0.00 -0.61 0.00 0.00 39.78 39.21 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 -1.44 1.70 -5.04 3.10 8.25 -1.26 -5.01 115.22 115.52 3iwq n HIS 186 Ca 0.07 -1.95 -0.31 0.00 -0.26 0.00 0.00 57.72 55.27 3iwq n HIS 186 Cb 0.24 -0.28 -0.17 0.00 1.12 0.00 0.00 29.99 30.90 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 -3.79 1.96 -0.06 1.59 2.01 -1.21 -3.55 115.64 112.58 3iwq s THR 187 Ca 0.41 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 61.38 3iwq s THR 187 Cb 0.38 -1.71 0.02 0.00 0.01 0.00 0.00 72.50 71.20 3iwq s THR 187 CO -0.02 0.54 0.19 0.26 -0.69 0.00 0.00 174.62 174.90 3iwq s TRP 188 N 0.48 -0.19 0.01 4.92 0.52 -0.28 -4.99 118.94 119.41 3iwq s TRP 188 Ca -0.16 0.44 -0.17 0.00 0.02 0.00 0.00 56.10 56.23 3iwq s TRP 188 Cb -0.17 0.06 -0.35 0.00 -1.15 0.00 0.00 33.47 31.86 3iwq s TRP 188 CO 0.06 -0.14 0.95 0.82 0.02 0.00 0.00 176.95 178.67 3iwq h ILE 189 N 4.73 1.32 -3.75 2.03 2.04 -1.85 0.23 117.51 122.25 3iwq h ILE 189 Ca -0.26 -2.65 -0.67 0.00 1.00 0.00 0.00 64.86 62.28 3iwq h ILE 189 Cb 1.20 3.07 -0.36 0.00 -0.74 0.00 0.00 36.82 39.99 3iwq h ILE 189 CO 0.39 0.79 -0.79 0.20 0.00 0.00 0.00 178.15 178.74 3iwq s ASN 190 N -7.43 4.38 -0.09 1.72 0.01 -1.26 -4.75 114.94 107.52 3iwq s ASN 190 Ca -0.11 -1.27 -0.30 0.00 -0.71 0.00 0.00 52.86 50.48 3iwq s ASN 190 Cb 0.03 -1.58 -0.04 0.00 0.41 0.00 0.00 41.25 40.08 3iwq s ASN 190 CO 0.91 -0.18 1.50 -0.69 -1.51 0.00 0.00 177.10 177.13 3iwq s VAL 191 N 1.16 3.84 0.66 1.60 1.01 -1.26 -5.00 120.40 122.41 3iwq s VAL 191 Ca -0.06 1.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.84 3iwq s VAL 191 Cb -0.19 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 3iwq s VAL 191 CO -0.05 -0.09 1.05 -2.16 0.00 0.00 0.00 175.10 173.85 3iwq s PRO 192 N 3.74 3.23 0.39 2.72 0.04 -1.26 -4.88 135.00 138.99 3iwq s PRO 192 Ca 0.66 0.86 0.11 0.00 0.04 0.00 0.00 61.00 62.67 3iwq s PRO 192 Cb -0.29 -2.03 0.90 0.00 0.04 0.00 0.00 34.50 33.12 3iwq s PRO 192 CO 0.24 -0.86 1.94 -1.35 0.04 0.00 0.00 177.00 177.00 3iwq h PRO 193 N -0.54 0.56 0.00 0.56 0.11 -2.01 0.02 132.00 130.69 3iwq h PRO 193 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 3iwq h PRO 193 Cb 1.20 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3iwq h PRO 193 CO 0.59 0.37 -0.03 0.00 -0.21 0.00 0.00 178.00 178.72 3iwq h ALA 194 N 1.64 1.11 -0.01 -0.75 0.00 -2.02 -1.93 119.26 117.29 3iwq h ALA 194 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3iwq h ALA 194 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3iwq h ALA 194 CO -0.12 0.04 -0.52 0.39 0.00 0.00 0.00 179.25 179.04 3iwq n GLU 195 N -3.29 1.01 -0.20 0.00 -0.58 -0.02 -4.54 120.64 113.02 3iwq n GLU 195 Ca -0.02 -0.82 0.04 0.00 -0.42 0.00 0.00 57.16 55.94 3iwq n GLU 195 Cb 0.18 -1.48 0.30 0.00 -0.57 0.00 0.00 31.44 29.87 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 2.00 0.86 0.00 3.49 5.08 -1.15 -0.41 114.58 124.45 3iwq h GLU 196 Ca 0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3iwq h GLU 196 Cb 0.70 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3iwq h GLU 196 CO 0.00 0.57 0.00 1.57 -1.00 0.00 0.00 179.01 180.15 3iwq h LYS 197 N 0.88 0.00 -0.00 2.33 2.10 -1.80 -2.22 116.57 117.86 3iwq h LYS 197 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 3iwq h LYS 197 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 3iwq h LYS 197 CO -0.09 0.00 -0.82 0.09 -2.00 0.00 0.00 179.45 176.63 3iwq n ASN 198 N -2.93 1.24 -4.58 7.07 3.02 -0.20 -4.90 115.26 113.98 3iwq n ASN 198 Ca -0.01 -1.09 -0.42 0.00 -0.03 0.00 0.00 54.58 53.04 3iwq n ASN 198 Cb 0.20 0.80 -0.02 0.00 -0.61 0.00 0.00 39.78 40.15 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 -2.86 2.51 0.53 3.10 5.04 -0.84 -0.72 117.35 124.12 3iwq s TYR 199 Ca 0.11 0.47 -0.21 0.00 -2.44 0.00 0.00 57.07 55.01 3iwq s TYR 199 Cb 0.17 -4.46 -0.07 0.00 0.35 0.00 0.00 41.96 37.95 3iwq s TYR 199 CO 0.78 -1.71 1.01 0.00 -1.34 0.00 0.00 175.55 174.29 3iwq n ALA 200 N 8.76 0.32 -1.98 3.97 0.00 -0.39 -4.94 120.51 126.25 3iwq n ALA 200 Ca 0.11 0.09 -0.38 0.00 0.00 0.00 0.00 53.44 53.26 3iwq n ALA 200 Cb 0.49 -2.12 -0.06 0.00 0.00 0.00 0.00 19.45 17.76 3iwq n ALA 200 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3iwq s TRP 201 N -1.42 3.79 0.47 0.00 0.52 -0.34 -4.89 118.94 117.07 3iwq s TRP 201 Ca 0.71 1.59 -0.03 0.00 0.02 0.00 0.00 56.10 58.38 3iwq s TRP 201 Cb -0.46 -2.75 -0.02 0.00 -1.15 0.00 0.00 33.47 29.08 3iwq s TRP 201 CO 0.51 0.41 0.75 0.20 0.02 0.00 0.00 176.95 178.83 3iwq s GLY 202 N -1.39 1.50 -0.09 0.98 0.00 -0.50 -4.81 107.32 103.01 3iwq s GLY 202 Ca 0.41 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.44 3iwq s GLY 202 CO 0.24 -0.53 -0.12 -0.19 0.00 0.00 0.00 173.10 172.51 3iwq s TYR 203 N -2.68 1.65 -0.07 1.90 2.02 -0.44 0.03 117.35 119.75 3iwq s TYR 203 Ca 0.47 -0.74 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 3iwq s TYR 203 Cb -0.10 -1.24 0.03 0.00 -0.40 0.00 0.00 41.96 40.24 3iwq s TYR 203 CO 0.42 -0.42 -0.02 0.50 -1.57 0.00 0.00 175.55 174.47 3iwq s ARG 204 N 1.08 0.72 -1.58 -0.62 3.52 -0.75 -4.40 118.95 116.92 3iwq s ARG 204 Ca -0.06 0.03 -0.15 0.00 -0.13 0.00 0.00 55.73 55.42 3iwq s ARG 204 Cb -0.14 -0.97 0.10 0.00 -1.56 0.00 0.00 34.95 32.38 3iwq s ARG 204 CO -0.02 -0.24 0.94 0.39 -0.81 0.00 0.00 175.30 175.57 3iwq n GLU 205 N 4.82 -4.98 -0.33 5.12 1.02 -1.26 -1.29 120.64 123.73 3iwq n GLU 205 Ca -0.13 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 3iwq n GLU 205 Cb 0.50 -5.40 0.00 0.00 -0.02 0.00 0.00 31.44 26.52 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 -1.62 2.29 3.72 0.62 0.00 -1.26 -5.01 105.19 103.91 3iwq n GLY 206 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.02 3.62 -0.03 1.61 1.02 -0.42 -5.04 119.74 120.48 3iwq s LYS 207 Ca 0.00 -0.30 -0.30 0.00 0.02 0.00 0.00 55.97 55.40 3iwq s LYS 207 Cb 0.00 -3.12 -0.06 0.00 -0.52 0.00 0.00 37.83 34.13 3iwq s LYS 207 CO 0.00 0.51 1.61 0.00 -0.92 0.00 0.00 175.35 176.55 3iwq s ALA 208 N -0.30 3.63 0.05 5.17 0.00 -1.26 -1.81 121.76 127.24 3iwq s ALA 208 Ca 0.09 0.95 0.02 0.00 0.00 0.00 0.00 51.96 53.02 3iwq s ALA 208 Cb -0.12 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.26 3iwq s ALA 208 CO 0.01 -1.28 -0.07 0.14 0.00 0.00 0.00 175.76 174.56 3iwq s VAL 209 N 3.60 0.53 0.22 0.00 -7.23 0.10 -4.93 120.40 112.70 3iwq s VAL 209 Ca 0.72 -1.25 0.11 0.00 -1.81 0.00 0.00 61.98 59.75 3iwq s VAL 209 Cb -0.34 -0.81 -0.05 0.00 0.56 0.00 0.00 36.38 35.75 3iwq s VAL 209 CO 0.29 -0.50 -0.19 -1.00 -0.31 0.00 0.00 175.10 173.39 3iwq s HIS 210 N -1.87 2.36 0.30 2.82 3.76 -1.26 -1.41 115.29 119.99 3iwq s HIS 210 Ca -0.06 -0.32 -0.29 0.00 -0.15 0.00 0.00 55.06 54.24 3iwq s HIS 210 Cb -0.07 -1.11 -0.13 0.00 1.11 0.00 0.00 32.58 32.38 3iwq s HIS 210 CO -0.01 0.58 1.31 1.55 -0.85 0.00 0.00 174.74 177.32 3iwq n VAL 211 N -0.12 1.62 -2.71 -0.90 3.14 -1.26 -4.97 118.33 113.14 3iwq n VAL 211 Ca -0.09 -0.41 -0.39 0.00 -2.96 0.00 0.00 64.34 60.49 3iwq n VAL 211 Cb 0.57 -1.49 -0.06 0.00 -1.06 0.00 0.00 33.84 31.80 3iwq n VAL 211 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 3iwq s SER 212 N -0.11 7.44 0.71 6.55 0.01 -1.26 -5.04 113.70 121.99 3iwq s SER 212 Ca 0.60 1.96 -0.16 0.00 1.31 0.00 0.00 55.95 59.66 3iwq s SER 212 Cb -0.61 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.05 3iwq s SER 212 CO 0.58 0.00 1.21 -2.84 0.41 0.00 0.00 173.24 172.60 3iwq s PRO 213 N -1.59 2.27 0.01 12.44 0.02 -1.26 -5.03 135.00 141.86 3iwq s PRO 213 Ca 0.46 1.79 -0.28 0.00 0.02 0.00 0.00 61.00 62.99 3iwq s PRO 213 Cb -0.24 -1.85 0.10 0.00 0.02 0.00 0.00 34.50 32.53 3iwq s PRO 213 CO 0.30 -1.74 0.82 0.20 -0.33 0.00 0.00 177.00 176.24 3iwq s GLY 214 N -1.94 -0.49 0.33 0.52 0.00 -1.26 -5.06 107.32 99.42 3iwq s GLY 214 Ca 0.75 1.03 -0.29 0.00 0.00 0.00 0.00 44.72 46.22 3iwq s GLY 214 CO 0.44 0.43 1.47 0.00 0.00 0.00 0.00 173.10 175.43 3iwq s ALA 215 N -2.88 3.61 0.00 3.20 0.00 -1.26 -1.75 121.76 122.68 3iwq s ALA 215 Ca 0.02 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3iwq s ALA 215 Cb -0.01 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3iwq s ALA 215 CO -0.07 -0.91 0.00 1.28 0.00 0.00 0.00 175.76 176.06 3iwq n LEU 216 N 1.25 0.71 -0.18 0.00 4.77 -1.26 -4.88 117.00 117.40 3iwq n LEU 216 Ca 0.03 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.01 3iwq n LEU 216 Cb 0.39 -1.83 0.08 0.00 -2.33 0.00 0.00 43.42 39.73 3iwq n LEU 216 CO 0.62 -0.67 0.82 -2.24 -1.33 0.00 0.00 177.39 174.60 3iwq h ASP 217 N 0.00 -0.29 -0.83 -1.43 3.04 -1.76 -0.86 116.42 114.28 3iwq h ASP 217 Ca 0.00 0.14 0.13 0.00 -3.24 0.00 0.00 57.03 54.06 3iwq h ASP 217 Cb 0.63 0.26 -0.06 0.00 -1.04 0.00 0.00 39.33 39.12 3iwq h ASP 217 CO 0.00 -0.11 0.54 0.00 -2.04 0.00 0.00 179.24 177.63 3iwq h ALA 218 N 1.52 1.85 0.07 4.15 0.00 -1.88 0.13 119.26 125.10 3iwq h ALA 218 Ca 0.29 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.95 3iwq h ALA 218 Cb 0.45 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iwq h ALA 218 CO -0.50 -0.06 -1.16 0.87 0.00 0.00 0.00 179.25 178.41 3iwq h LYS 219 N 0.66 0.16 0.00 0.00 6.56 -1.52 -3.36 116.57 119.06 3iwq h LYS 219 Ca 0.41 -0.27 -0.27 0.00 -1.06 0.00 0.00 60.65 59.45 3iwq h LYS 219 Cb 0.64 0.10 -0.05 0.00 -0.57 0.00 0.00 32.23 32.35 3iwq h LYS 219 CO -0.17 1.12 -2.03 0.00 -2.06 0.00 0.00 179.45 176.31 3iwq n ALA 220 N -2.46 1.62 -1.92 3.86 0.00 -0.77 -4.40 120.51 116.44 3iwq n ALA 220 Ca -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.44 3iwq n ALA 220 Cb 0.99 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.40 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 -2.66 0.00 -0.26 0.00 0.18 0.20 -3.94 117.16 110.69 3iwq n TYR 221 Ca -0.26 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.62 3iwq n TYR 221 Cb 0.96 0.16 0.27 0.00 -0.38 0.00 0.00 39.34 40.35 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 2.46 3.85 -7.48 0.00 0.21 -3.61 105.19 100.62 3iwq n GLY 222 Ca 0.00 -0.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.04 4.84 -0.03 1.61 1.01 -1.26 -4.49 120.40 121.03 3iwq s VAL 223 Ca 0.42 0.81 0.06 0.00 0.00 0.00 0.00 61.98 63.27 3iwq s VAL 223 Cb 0.22 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 3iwq s VAL 223 CO 0.29 0.17 -0.22 -0.54 0.00 0.00 0.00 175.10 174.80 3iwq s LYS 224 N -2.15 1.93 0.21 2.72 3.01 0.80 -1.51 119.74 124.75 3iwq s LYS 224 Ca 0.40 -0.77 -0.11 0.00 -1.01 0.00 0.00 55.97 54.48 3iwq s LYS 224 Cb -0.14 -1.77 -0.00 0.00 -1.01 0.00 0.00 37.83 34.90 3iwq s LYS 224 CO 0.20 0.41 0.40 0.45 0.51 0.00 0.00 175.35 177.31 3iwq s SER 225 N -0.33 -0.06 0.44 2.83 0.15 -0.32 -1.12 113.70 115.30 3iwq s SER 225 Ca 0.03 -0.87 0.05 0.00 0.70 0.00 0.00 55.95 55.87 3iwq s SER 225 Cb -0.10 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.74 3iwq s SER 225 CO 0.01 -1.02 0.61 0.42 1.20 0.00 0.00 173.24 174.46 3iwq s THR 226 N -3.99 3.26 0.37 6.45 -4.23 -1.23 -0.57 115.64 115.70 3iwq s THR 226 Ca 0.20 -0.85 0.15 0.00 -1.18 0.00 0.00 61.69 60.00 3iwq s THR 226 Cb 0.01 -3.15 0.12 0.00 1.34 0.00 0.00 72.50 70.83 3iwq s THR 226 CO 0.04 -0.07 1.86 -0.29 -0.54 0.00 0.00 174.62 175.62 3iwq h ILE 227 N 0.51 1.15 -0.04 2.99 6.09 -1.75 -1.12 117.51 125.34 3iwq h ILE 227 Ca -0.43 -1.16 -0.03 0.00 -1.37 0.00 0.00 64.86 61.87 3iwq h ILE 227 Cb 1.28 1.64 0.00 0.00 0.47 0.00 0.00 36.82 40.21 3iwq h ILE 227 CO 0.50 0.32 -0.08 -0.33 -3.07 0.00 0.00 178.15 175.49 3iwq h GLU 228 N 0.00 0.13 -0.93 2.19 5.08 -1.93 -1.78 114.58 117.34 3iwq h GLU 228 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3iwq h GLU 228 Cb 0.62 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.83 3iwq h GLU 228 CO 0.04 0.66 0.59 -0.44 -1.00 0.00 0.00 179.01 178.87 3iwq h ASP 229 N -0.38 1.09 -0.06 1.42 5.19 -1.87 -2.31 116.42 119.50 3iwq h ASP 229 Ca 0.00 -0.05 -0.05 0.00 -0.62 0.00 0.00 57.03 56.32 3iwq h ASP 229 Cb 0.66 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.88 3iwq h ASP 229 CO 0.02 0.81 -0.09 0.24 -3.12 0.00 0.00 179.24 177.10 3iwq h MET 230 N 1.27 0.32 -0.58 3.56 2.86 -1.20 0.15 114.93 121.31 3iwq h MET 230 Ca 0.34 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.81 3iwq h MET 230 Cb -0.11 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 3iwq h MET 230 CO -0.07 0.42 -0.02 0.00 1.06 0.00 0.00 176.91 178.30 3iwq h ALA 231 N 1.61 0.85 -0.49 6.32 0.00 -0.96 -0.67 119.26 125.92 3iwq h ALA 231 Ca 0.07 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3iwq h ALA 231 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3iwq h ALA 231 CO 0.02 0.66 -0.12 -0.09 0.00 0.00 0.00 179.25 179.72 3iwq h ARG 232 N 0.94 0.93 -0.45 0.00 2.43 -0.85 -0.28 114.38 117.09 3iwq h ARG 232 Ca 0.16 -0.34 0.02 0.00 -0.81 0.00 0.00 59.98 59.02 3iwq h ARG 232 Cb 0.57 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 3iwq h ARG 232 CO 0.03 0.99 0.26 2.35 -1.51 0.00 0.00 179.97 182.10 3iwq h TRP 233 N 0.82 0.49 -0.24 2.20 -0.00 -0.34 -0.67 115.95 118.22 3iwq h TRP 233 Ca 0.13 0.02 0.01 0.00 -0.00 0.00 0.00 58.89 59.05 3iwq h TRP 233 Cb 0.66 -0.16 -0.02 0.00 -0.00 0.00 0.00 29.16 29.64 3iwq h TRP 233 CO 0.04 0.28 0.13 0.28 -0.00 0.00 0.00 178.44 179.17 3iwq h VAL 234 N 0.53 1.01 -0.99 2.65 2.07 -0.83 -1.81 116.25 118.89 3iwq h VAL 234 Ca 0.18 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.69 3iwq h VAL 234 Cb 0.02 0.72 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 3iwq h VAL 234 CO -0.09 0.05 0.64 1.56 0.02 0.00 0.00 177.57 179.75 3iwq h GLN 235 N 0.27 1.08 -0.28 1.57 4.20 -0.73 0.20 115.11 121.43 3iwq h GLN 235 Ca 0.09 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.62 3iwq h GLN 235 Cb 0.01 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.53 3iwq h GLN 235 CO -0.05 0.72 -0.30 0.77 -0.67 0.00 0.00 178.83 179.29 3iwq h SER 236 N 1.12 0.60 1.34 1.46 0.02 -0.89 -1.84 113.55 115.36 3iwq h SER 236 Ca 0.44 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 3iwq h SER 236 Cb 0.25 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 3iwq h SER 236 CO -0.20 0.87 -0.68 0.78 -1.14 0.00 0.00 176.83 176.46 3iwq h ASN 237 N 0.50 0.00 -0.38 3.07 2.35 -0.66 -2.79 115.58 117.67 3iwq h ASN 237 Ca 0.06 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 3iwq h ASN 237 Cb 0.77 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.13 3iwq h ASN 237 CO 0.06 0.53 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.05 3iwq h LEU 238 N 0.00 0.92 -5.90 1.61 3.38 -0.47 -3.38 115.31 111.47 3iwq h LEU 238 Ca -0.03 -0.36 -0.54 0.00 0.09 0.00 0.00 57.88 57.04 3iwq h LEU 238 Cb 1.43 -0.25 -0.40 0.00 0.09 0.00 0.00 40.66 41.52 3iwq h LEU 238 CO 0.06 1.12 -1.00 0.29 0.09 0.00 0.00 178.44 179.00 3iwq n LYS 239 N -4.10 1.48 -0.05 1.13 5.02 -0.70 -4.76 118.16 116.18 3iwq n LYS 239 Ca -0.00 -3.75 0.08 0.00 -2.02 0.00 0.00 58.31 52.61 3iwq n LYS 239 Cb 0.47 -1.72 0.46 0.00 -0.02 0.00 0.00 35.03 34.21 3iwq n LYS 239 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3iwq h PRO 240 N 3.45 0.48 0.00 1.97 0.13 -1.69 -2.30 132.00 134.04 3iwq h PRO 240 Ca 0.11 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3iwq h PRO 240 Cb 0.82 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3iwq h PRO 240 CO 0.59 0.32 0.00 1.28 -0.23 0.00 0.00 178.00 179.95 3iwq n LEU 241 N -4.47 0.00 -0.14 1.56 4.77 -1.26 -0.44 117.00 117.01 3iwq n LEU 241 Ca 0.07 0.17 0.13 0.00 -0.03 0.00 0.00 56.01 56.34 3iwq n LEU 241 Cb 0.21 -0.17 0.39 0.00 -2.33 0.00 0.00 43.42 41.52 3iwq n LEU 241 CO 0.34 -0.03 0.64 0.47 -1.33 0.00 0.00 177.39 177.48 3iwq n ASP 242 N -1.17 0.73 -4.75 -1.43 9.92 -0.87 -4.91 116.55 114.08 3iwq n ASP 242 Ca 0.15 -0.58 -0.40 0.00 -0.53 0.00 0.00 54.79 53.42 3iwq n ASP 242 Cb 0.15 0.11 -0.05 0.00 -0.64 0.00 0.00 41.12 40.69 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 -2.67 3.96 0.09 0.53 1.01 0.41 -4.98 121.20 119.56 3iwq s ILE 243 Ca 0.21 1.83 -0.01 0.00 0.00 0.00 0.00 60.65 62.68 3iwq s ILE 243 Cb 0.19 -4.17 -0.26 0.00 0.01 0.00 0.00 42.46 38.23 3iwq s ILE 243 CO 0.57 0.38 1.19 0.78 0.00 0.00 0.00 174.94 177.86 3iwq h ASN 244 N 4.56 0.30 -3.17 3.58 2.35 -1.91 -3.43 115.58 117.86 3iwq h ASN 244 Ca -0.45 -0.32 -0.57 0.00 -0.55 0.00 0.00 56.30 54.42 3iwq h ASN 244 Cb 1.21 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 39.43 3iwq h ASN 244 CO 0.69 1.24 1.01 -1.61 -1.65 0.00 0.00 177.43 177.11 3iwq s GLU 245 N -2.71 3.80 0.19 0.81 8.01 -1.26 -4.91 118.70 122.63 3iwq s GLU 245 Ca -0.03 1.16 -0.13 0.00 0.01 0.00 0.00 54.97 55.99 3iwq s GLU 245 Cb 0.08 -3.93 0.12 0.00 -4.31 0.00 0.00 34.13 26.09 3iwq s GLU 245 CO 0.86 -1.27 1.82 0.87 0.01 0.00 0.00 175.26 177.56 3iwq h LYS 246 N 9.79 0.67 0.00 1.61 1.57 -2.00 -0.60 116.57 127.60 3iwq h LYS 246 Ca -0.27 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 3iwq h LYS 246 Cb 1.10 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 3iwq h LYS 246 CO 1.05 0.44 -0.30 1.79 -0.57 0.00 0.00 179.45 181.86 3iwq h THR 247 N 0.69 0.89 0.23 -0.16 1.35 -1.91 -2.06 112.91 111.94 3iwq h THR 247 Ca 0.23 -1.17 -0.33 0.00 -0.55 0.00 0.00 66.41 64.59 3iwq h THR 247 Cb 0.02 1.69 0.03 0.00 -1.73 0.00 0.00 68.15 68.16 3iwq h THR 247 CO -0.10 0.29 -1.48 0.25 -0.25 0.00 0.00 175.52 174.24 3iwq h LEU 248 N 0.00 0.77 -0.41 3.87 5.85 -1.74 0.25 115.31 123.90 3iwq h LEU 248 Ca -0.00 -0.85 0.08 0.00 0.84 0.00 0.00 57.88 57.95 3iwq h LEU 248 Cb 0.67 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 3iwq h LEU 248 CO 0.04 1.67 -0.07 -0.61 -0.34 0.00 0.00 178.44 179.13 3iwq h GLN 249 N 0.13 0.03 -0.42 1.25 4.15 -1.01 -0.93 115.11 118.31 3iwq h GLN 249 Ca -0.25 -0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.03 3iwq h GLN 249 Cb 2.14 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.82 3iwq h GLN 249 CO 0.26 0.02 -0.27 1.96 -1.93 0.00 0.00 178.83 178.86 3iwq h GLN 250 N 0.03 0.90 -0.85 1.69 4.20 -1.34 -2.50 115.11 117.24 3iwq h GLN 250 Ca 0.20 -0.41 0.03 0.00 0.06 0.00 0.00 58.65 58.53 3iwq h GLN 250 Cb 0.30 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.01 3iwq h GLN 250 CO -0.40 1.06 0.55 0.78 -0.67 0.00 0.00 178.83 180.15 3iwq h GLY 251 N 0.89 1.22 0.85 3.46 0.00 -0.27 0.16 103.07 109.38 3iwq h GLY 251 Ca 0.09 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3iwq h GLY 251 CO 0.07 0.37 0.04 -2.22 0.00 0.00 0.00 176.54 174.81 3iwq h ILE 252 N 1.08 1.22 -0.60 2.60 2.04 -1.11 -2.10 117.51 120.64 3iwq h ILE 252 Ca 0.33 -0.71 0.10 0.00 1.00 0.00 0.00 64.86 65.58 3iwq h ILE 252 Cb -0.03 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 3iwq h ILE 252 CO -0.10 0.22 0.20 1.56 0.00 0.00 0.00 178.15 180.03 3iwq h GLN 253 N 0.17 0.36 0.00 2.37 1.08 -0.94 -2.44 115.11 115.71 3iwq h GLN 253 Ca 0.07 -0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.19 3iwq h GLN 253 Cb 0.30 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 3iwq h GLN 253 CO 0.00 0.24 -0.27 -0.07 -0.95 0.00 0.00 178.83 177.78 3iwq h LEU 254 N 0.37 0.00 -0.32 1.46 3.38 -0.47 -2.59 115.31 117.13 3iwq h LEU 254 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 3iwq h LEU 254 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3iwq h LEU 254 CO -0.32 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.48 3iwq h ALA 255 N 1.73 1.00 -0.29 1.53 0.00 -0.88 -2.56 119.26 119.78 3iwq h ALA 255 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iwq h ALA 255 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3iwq h ALA 255 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.33 3iwq n GLN 256 N -2.69 2.35 -1.90 0.00 6.02 -1.00 -0.77 117.38 119.39 3iwq n GLN 256 Ca 0.04 -2.13 -0.37 0.00 -0.01 0.00 0.00 57.00 54.52 3iwq n GLN 256 Cb 0.42 -1.47 0.04 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.53 5.25 -0.41 1.08 0.01 -0.97 -3.71 113.70 113.43 3iwq s SER 257 Ca 0.34 2.58 -0.16 0.00 1.31 0.00 0.00 55.95 60.02 3iwq s SER 257 Cb 0.21 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.84 3iwq s SER 257 CO 0.29 -1.57 0.38 -0.13 0.41 0.00 0.00 173.24 172.62 3iwq s ARG 258 N -3.07 3.07 -0.11 12.44 0.52 -0.13 -4.05 118.95 127.62 3iwq s ARG 258 Ca 0.74 -0.85 0.10 0.00 -0.52 0.00 0.00 55.73 55.19 3iwq s ARG 258 Cb -0.36 -3.96 -0.24 0.00 0.52 0.00 0.00 34.95 30.91 3iwq s ARG 258 CO 0.41 -0.79 0.40 0.66 0.02 0.00 0.00 175.30 176.00 3iwq n TYR 259 N 5.41 0.73 -3.86 -0.53 4.01 -0.82 -2.32 117.16 119.78 3iwq n TYR 259 Ca -0.09 0.23 -0.11 0.00 -0.16 0.00 0.00 57.90 57.77 3iwq n TYR 259 Cb 0.47 -1.12 -0.11 0.00 -0.31 0.00 0.00 39.34 38.27 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 -2.56 -0.01 -0.04 -0.72 0.52 -1.25 -1.57 118.94 113.30 3iwq s TRP 260 Ca -0.11 0.02 0.05 0.00 0.02 0.00 0.00 56.10 56.08 3iwq s TRP 260 Cb 0.07 -0.02 -0.02 0.00 -1.15 0.00 0.00 33.47 32.35 3iwq s TRP 260 CO 0.80 -0.20 -0.19 -1.14 0.02 0.00 0.00 176.95 176.23 3iwq s GLN 261 N -0.87 2.42 -0.04 4.98 0.74 -0.20 -1.03 119.66 125.66 3iwq s GLN 261 Ca -0.10 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 54.50 3iwq s GLN 261 Cb -0.05 -2.25 0.03 0.00 1.10 0.00 0.00 33.01 31.84 3iwq s GLN 261 CO 0.01 0.55 0.04 -0.08 -0.55 0.00 0.00 175.29 175.27 3iwq s THR 262 N -0.57 -0.03 0.00 -0.34 -1.32 0.03 -1.57 115.64 111.84 3iwq s THR 262 Ca 0.08 0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.89 3iwq s THR 262 Cb -0.11 -0.18 0.00 0.00 -1.51 0.00 0.00 72.50 70.70 3iwq s THR 262 CO 0.01 0.17 0.00 0.61 -2.21 0.00 0.00 174.62 173.19 3iwq n GLY 263 N 4.97 3.45 1.54 6.08 0.00 -1.26 -1.39 105.19 118.58 3iwq n GLY 263 Ca -0.10 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 45.89 3iwq n GLY 263 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iwq n ASP 264 N 4.16 4.57 -4.67 1.61 5.75 -1.26 -4.95 116.55 121.76 3iwq n ASP 264 Ca 0.00 -2.35 -0.28 0.00 -0.01 0.00 0.00 54.79 52.15 3iwq n ASP 264 Cb 0.00 -0.56 -0.08 0.00 -1.03 0.00 0.00 41.12 39.45 3iwq n ASP 264 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iwq s MET 265 N -1.69 2.46 -0.02 0.11 0.23 -0.49 -4.49 119.30 115.42 3iwq s MET 265 Ca 0.50 -1.00 0.06 0.00 -1.03 0.00 0.00 55.69 54.22 3iwq s MET 265 Cb 0.31 -2.43 -0.01 0.00 -1.53 0.00 0.00 34.83 31.17 3iwq s MET 265 CO 0.26 0.49 -0.20 0.71 -2.03 0.00 0.00 175.02 174.25 3iwq s TYR 266 N -1.56 1.79 -0.25 3.16 2.02 0.51 -0.79 117.35 122.23 3iwq s TYR 266 Ca 0.27 -0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 56.44 3iwq s TYR 266 Cb -0.10 -1.16 -0.03 0.00 -0.40 0.00 0.00 41.96 40.27 3iwq s TYR 266 CO 0.18 -0.05 0.46 -1.14 -1.57 0.00 0.00 175.55 173.43 3iwq s GLN 267 N -0.42 4.07 0.00 -0.62 2.00 -0.20 -0.94 119.66 123.56 3iwq s GLN 267 Ca 0.06 0.22 0.00 0.00 -2.00 0.00 0.00 55.36 53.65 3iwq s GLN 267 Cb -0.08 -3.63 0.00 0.00 0.80 0.00 0.00 33.01 30.10 3iwq s GLN 267 CO -0.00 -0.28 0.00 0.41 -0.50 0.00 0.00 175.29 174.92 3iwq n GLY 268 N 4.39 1.84 3.46 2.59 0.00 0.19 -1.94 105.19 115.72 3iwq n GLY 268 Ca -0.06 -2.02 -0.44 0.00 0.00 0.00 0.00 46.02 43.50 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 4.80 0.00 0.99 1.43 0.05 -4.57 118.68 121.38 3iwq s LEU 269 Ca 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.26 3iwq s LEU 269 Cb 0.00 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.71 3iwq s LEU 269 CO 0.00 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.20 3iwq n GLY 270 N 5.17 1.52 3.75 -3.19 0.00 -1.26 -4.33 105.19 106.85 3iwq n GLY 270 Ca -0.05 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3iwq n GLY 270 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3iwq s TRP 271 N 0.00 2.29 0.12 1.61 0.52 -1.26 -4.68 118.94 117.53 3iwq s TRP 271 Ca 0.00 1.41 0.10 0.00 0.02 0.00 0.00 56.10 57.63 3iwq s TRP 271 Cb 0.00 -3.75 -0.04 0.00 -1.15 0.00 0.00 33.47 28.54 3iwq s TRP 271 CO 0.00 -2.80 -0.25 -1.21 0.02 0.00 0.00 176.95 172.71 3iwq s GLU 272 N -2.99 1.53 0.02 4.98 2.02 -1.03 -0.64 118.70 122.59 3iwq s GLU 272 Ca 0.73 -1.28 0.01 0.00 0.02 0.00 0.00 54.97 54.45 3iwq s GLU 272 Cb -0.39 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 3iwq s GLU 272 CO 0.45 0.46 -0.05 -1.64 0.02 0.00 0.00 175.26 174.51 3iwq s MET 273 N -1.98 0.38 0.10 1.61 -1.94 -0.12 -0.91 119.30 116.45 3iwq s MET 273 Ca 0.15 -0.58 0.05 0.00 -1.71 0.00 0.00 55.69 53.60 3iwq s MET 273 Cb -0.10 -0.11 -0.03 0.00 2.01 0.00 0.00 34.83 36.60 3iwq s MET 273 CO 0.06 0.01 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.44 3iwq s LEU 274 N -1.26 2.37 0.27 -0.03 1.02 0.25 -0.37 118.68 120.94 3iwq s LEU 274 Ca -0.11 -0.76 -0.30 0.00 0.02 0.00 0.00 54.13 52.98 3iwq s LEU 274 Cb -0.08 -0.46 -0.12 0.00 0.02 0.00 0.00 46.19 45.55 3iwq s LEU 274 CO -0.00 -0.16 1.64 -1.81 0.02 0.00 0.00 176.35 176.03 3iwq s ASP 275 N -2.25 6.36 -0.04 2.29 1.01 -1.26 -0.20 116.67 122.58 3iwq s ASP 275 Ca 0.05 2.95 -0.15 0.00 0.71 0.00 0.00 52.55 56.11 3iwq s ASP 275 Cb -0.06 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.19 3iwq s ASP 275 CO 0.02 -0.94 0.39 0.86 0.21 0.00 0.00 175.17 175.71 3iwq s TRP 276 N 0.31 3.66 0.53 4.23 -0.11 0.07 -3.50 118.94 124.15 3iwq s TRP 276 Ca 0.67 0.92 -0.19 0.00 1.22 0.00 0.00 56.10 58.71 3iwq s TRP 276 Cb -0.49 -2.32 -0.06 0.00 -1.50 0.00 0.00 33.47 29.10 3iwq s TRP 276 CO 0.44 0.54 1.07 -1.25 -4.62 0.00 0.00 176.95 173.12 3iwq s PRO 277 N -0.67 3.55 0.26 5.86 0.04 -1.26 -4.76 135.00 138.03 3iwq s PRO 277 Ca 0.23 1.38 0.07 0.00 0.04 0.00 0.00 61.00 62.72 3iwq s PRO 277 Cb -0.16 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3iwq s PRO 277 CO 0.11 -0.64 0.18 0.14 0.04 0.00 0.00 177.00 176.83 3iwq s VAL 278 N -2.06 4.26 -0.33 -0.36 -7.23 -1.23 -5.08 120.40 108.38 3iwq s VAL 278 Ca 0.68 -1.46 -0.25 0.00 -1.81 0.00 0.00 61.98 59.14 3iwq s VAL 278 Cb -0.18 -3.33 0.01 0.00 0.56 0.00 0.00 36.38 33.44 3iwq s VAL 278 CO 0.26 -0.34 0.88 0.21 -0.31 0.00 0.00 175.10 175.81 3iwq s ASN 279 N -3.84 6.71 0.28 4.85 2.47 -1.26 -4.93 114.94 119.23 3iwq s ASN 279 Ca 0.33 0.69 0.01 0.00 0.42 0.00 0.00 52.86 54.32 3iwq s ASN 279 Cb -0.07 -2.45 0.55 0.00 -1.45 0.00 0.00 41.25 37.83 3iwq s ASN 279 CO 0.25 -0.75 1.84 1.55 -3.72 0.00 0.00 177.10 176.27 3iwq h PRO 280 N 8.24 0.97 -0.16 0.43 0.13 -2.00 -0.23 132.00 139.38 3iwq h PRO 280 Ca -0.23 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3iwq h PRO 280 Cb 1.08 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 3iwq h PRO 280 CO 0.94 0.64 0.11 -0.44 -0.23 0.00 0.00 178.00 179.02 3iwq h ASP 281 N 1.00 0.19 -0.10 1.44 3.32 -1.98 0.80 116.42 121.09 3iwq h ASP 281 Ca 0.49 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.53 3iwq h ASP 281 Cb 0.47 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 3iwq h ASP 281 CO -0.26 0.14 0.03 -1.28 -1.72 0.00 0.00 179.24 176.15 3iwq h SER 282 N 0.22 0.14 0.29 6.45 0.87 -1.44 0.96 113.55 121.04 3iwq h SER 282 Ca 0.06 -0.21 -0.15 0.00 -1.23 0.00 0.00 61.79 60.25 3iwq h SER 282 Cb -0.02 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.89 3iwq h SER 282 CO -0.01 0.32 -0.61 0.16 -0.53 0.00 0.00 176.83 176.16 3iwq h ILE 283 N -0.04 1.37 0.20 2.23 3.07 -1.34 -0.27 117.51 122.72 3iwq h ILE 283 Ca 0.03 -1.96 -0.01 0.00 1.55 0.00 0.00 64.86 64.47 3iwq h ILE 283 Cb 0.23 1.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.75 3iwq h ILE 283 CO -0.00 0.59 -0.10 0.40 -1.05 0.00 0.00 178.15 177.99 3iwq h ILE 284 N 0.23 0.87 -0.67 0.16 2.04 -0.80 -2.17 117.51 117.16 3iwq h ILE 284 Ca -0.01 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 3iwq h ILE 284 Cb 1.12 1.34 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3iwq h ILE 284 CO 0.10 0.18 0.16 0.78 0.00 0.00 0.00 178.15 179.37 3iwq h ASN 285 N -0.74 1.02 0.81 1.72 2.35 -0.90 -2.73 115.58 117.11 3iwq h ASN 285 Ca -0.03 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3iwq h ASN 285 Cb 0.50 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.60 3iwq h ASN 285 CO 0.05 0.98 0.00 0.61 -1.65 0.00 0.00 177.43 177.42 3iwq n GLY 286 N -0.69 -1.32 0.13 2.83 0.00 -0.11 -2.24 105.19 103.78 3iwq n GLY 286 Ca 0.05 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3iwq n GLY 286 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iwq h SER 287 N 0.00 0.00 -2.27 1.61 4.64 -1.06 -3.23 113.55 113.24 3iwq h SER 287 Ca 0.00 -0.06 -0.58 0.00 -0.47 0.00 0.00 61.79 60.68 3iwq h SER 287 Cb 0.40 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.55 3iwq h SER 287 CO 0.00 0.03 0.83 -0.67 -0.87 0.00 0.00 176.83 176.16 3iwq n ASP 288 N -2.54 3.17 0.23 4.97 2.03 -0.95 -4.65 116.55 118.81 3iwq n ASP 288 Ca 0.03 1.07 0.17 0.00 0.52 0.00 0.00 54.79 56.58 3iwq n ASP 288 Cb 0.49 -1.43 0.85 0.00 -0.72 0.00 0.00 41.12 40.31 3iwq n ASP 288 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3iwq h ASN 289 N 6.25 0.00 0.28 1.67 2.35 -1.90 0.14 115.58 124.36 3iwq h ASN 289 Ca -0.45 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.29 3iwq h ASN 289 Cb 1.25 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 3iwq h ASN 289 CO 0.90 0.00 -0.05 0.07 -1.65 0.00 0.00 177.43 176.69 3iwq h LYS 290 N 0.00 0.00 0.00 0.81 2.10 -1.94 -1.63 116.57 115.91 3iwq h LYS 290 Ca 0.07 0.00 -0.46 0.00 -2.00 0.00 0.00 60.65 58.26 3iwq h LYS 290 Cb 0.42 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 31.69 3iwq h LYS 290 CO -0.00 0.05 -2.52 -0.89 -2.00 0.00 0.00 179.45 174.09 3iwq n ILE 291 N -3.48 1.53 0.26 0.07 5.41 0.25 -4.29 119.36 119.10 3iwq n ILE 291 Ca -0.02 -0.38 0.09 0.00 1.00 0.00 0.00 62.75 63.44 3iwq n ILE 291 Cb 0.17 -1.89 0.66 0.00 -0.71 0.00 0.00 39.64 37.88 3iwq n ILE 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3iwq h ALA 292 N -1.00 1.94 -0.38 -1.39 0.00 -0.89 -1.84 119.26 115.71 3iwq h ALA 292 Ca -0.69 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3iwq h ALA 292 Cb 1.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3iwq h ALA 292 CO -0.42 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.12 3iwq n LEU 293 N -4.46 3.43 -4.88 0.00 4.77 -0.62 -4.58 117.00 110.67 3iwq n LEU 293 Ca -0.03 -1.51 -0.30 0.00 -0.03 0.00 0.00 56.01 54.13 3iwq n LEU 293 Cb 0.09 -0.25 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 3iwq n LEU 293 CO 0.33 0.74 0.31 0.00 -1.33 0.00 0.00 177.39 177.44 3iwq s ALA 294 N -1.45 3.48 0.29 -1.18 0.00 -0.69 -4.64 121.76 117.58 3iwq s ALA 294 Ca 0.38 -0.30 -0.29 0.00 0.00 0.00 0.00 51.96 51.74 3iwq s ALA 294 Cb 0.22 -2.52 -0.10 0.00 0.00 0.00 0.00 23.12 20.72 3iwq s ALA 294 CO 0.31 0.24 1.39 0.00 0.00 0.00 0.00 175.76 177.70 3iwq s ALA 295 N -2.10 3.57 -0.01 0.00 0.00 -1.26 -4.65 121.76 117.31 3iwq s ALA 295 Ca 0.48 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.77 3iwq s ALA 295 Cb -0.11 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3iwq s ALA 295 CO 0.27 -0.73 -0.02 1.03 0.00 0.00 0.00 175.76 176.31 3iwq s ARG 296 N -1.10 0.21 0.33 0.00 1.81 -0.54 -4.98 118.95 114.68 3iwq s ARG 296 Ca 0.54 -0.06 -0.29 0.00 -1.72 0.00 0.00 55.73 54.21 3iwq s ARG 296 Cb -0.41 -0.23 -0.10 0.00 -0.45 0.00 0.00 34.95 33.75 3iwq s ARG 296 CO 0.49 0.03 1.27 -1.25 -0.68 0.00 0.00 175.30 175.16 3iwq s PRO 297 N 0.10 4.38 0.14 3.54 0.04 -1.26 -0.26 135.00 141.67 3iwq s PRO 297 Ca -0.01 2.14 0.10 0.00 0.04 0.00 0.00 61.00 63.27 3iwq s PRO 297 Cb -0.03 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 3iwq s PRO 297 CO -0.00 -0.14 -0.18 0.14 0.04 0.00 0.00 177.00 176.85 3iwq s VAL 298 N -1.16 2.77 -0.16 -0.36 -7.23 -0.88 -4.63 120.40 108.77 3iwq s VAL 298 Ca 0.49 -1.64 -0.02 0.00 -1.81 0.00 0.00 61.98 59.00 3iwq s VAL 298 Cb -0.38 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 3iwq s VAL 298 CO 0.51 0.02 -0.09 -0.54 -0.31 0.00 0.00 175.10 174.69 3iwq s LYS 299 N -2.35 3.42 0.40 4.82 1.02 -0.61 -4.83 119.74 121.61 3iwq s LYS 299 Ca 0.19 -0.64 -0.26 0.00 0.02 0.00 0.00 55.97 55.28 3iwq s LYS 299 Cb -0.10 -2.78 -0.09 0.00 -0.52 0.00 0.00 37.83 34.34 3iwq s LYS 299 CO 0.11 0.10 1.33 0.00 -0.92 0.00 0.00 175.35 175.96 3iwq s ALA 300 N 0.68 3.30 -0.48 5.17 0.00 -1.26 -1.04 121.76 128.14 3iwq s ALA 300 Ca -0.05 1.29 -0.16 0.00 0.00 0.00 0.00 51.96 53.04 3iwq s ALA 300 Cb -0.15 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.53 3iwq s ALA 300 CO 0.02 -0.87 0.44 0.42 0.00 0.00 0.00 175.76 175.77 3iwq s ILE 301 N -1.23 5.16 -0.42 0.00 -1.09 -0.61 -4.87 121.20 118.15 3iwq s ILE 301 Ca 0.56 -0.92 0.03 0.00 -2.23 0.00 0.00 60.65 58.09 3iwq s ILE 301 Cb -0.40 -4.15 0.11 0.00 -1.58 0.00 0.00 42.46 36.44 3iwq s ILE 301 CO 0.51 -0.61 0.15 -0.89 -1.23 0.00 0.00 174.94 172.87 3iwq s THR 302 N 1.85 2.58 0.62 2.92 2.01 -1.26 -1.72 115.64 122.64 3iwq s THR 302 Ca 0.06 -2.63 -0.02 0.00 0.31 0.00 0.00 61.69 59.41 3iwq s THR 302 Cb -0.23 -2.84 0.05 0.00 0.01 0.00 0.00 72.50 69.49 3iwq s THR 302 CO 0.08 -0.69 0.88 -2.16 -0.69 0.00 0.00 174.62 172.04 3iwq s PRO 303 N 0.52 2.38 0.39 4.92 0.04 -1.26 -5.10 135.00 136.89 3iwq s PRO 303 Ca 0.13 -0.57 -0.27 0.00 0.04 0.00 0.00 61.00 60.33 3iwq s PRO 303 Cb -0.22 -2.35 -0.11 0.00 0.04 0.00 0.00 34.50 31.86 3iwq s PRO 303 CO -0.05 -0.95 1.31 -2.30 0.04 0.00 0.00 177.00 175.05 3iwq n PRO 304 N -2.59 2.11 -2.61 0.56 -0.02 -0.70 -4.95 135.00 126.79 3iwq n PRO 304 Ca 0.08 0.74 -0.42 0.00 -2.02 0.00 0.00 63.50 61.88 3iwq n PRO 304 Cb 0.60 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 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 -1.15 4.61 0.69 3.45 2.01 -0.98 -4.85 115.64 119.42 3iwq s THR 305 Ca 0.58 1.90 -0.17 0.00 0.31 0.00 0.00 61.69 64.31 3iwq s THR 305 Cb -0.52 -4.22 0.00 0.00 0.01 0.00 0.00 72.50 67.77 3iwq s THR 305 CO 0.60 -0.02 1.13 -2.65 -0.69 0.00 0.00 174.62 172.99 3iwq n PRO 306 N 5.24 0.76 -0.62 4.92 -0.02 -1.26 -0.95 135.00 143.06 3iwq n PRO 306 Ca 0.10 0.32 -0.25 0.00 -2.02 0.00 0.00 63.50 61.64 3iwq n PRO 306 Cb 0.48 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.55 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 -2.27 -0.37 -2.60 3.55 0.00 -1.24 -4.76 120.51 112.82 3iwq n ALA 307 Ca 0.14 0.16 -0.40 0.00 0.00 0.00 0.00 53.44 53.35 3iwq n ALA 307 Cb 0.49 -0.75 -0.08 0.00 0.00 0.00 0.00 19.45 19.11 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 1.44 5.09 0.29 0.00 1.01 -1.26 -4.97 120.40 122.00 3iwq s VAL 308 Ca 0.42 0.65 -0.00 0.00 0.00 0.00 0.00 61.98 63.05 3iwq s VAL 308 Cb -0.57 -3.83 0.28 0.00 0.00 0.00 0.00 36.38 32.26 3iwq s VAL 308 CO 0.30 0.03 1.91 0.03 0.00 0.00 0.00 175.10 177.36 3iwq h ARG 309 N 8.18 1.04 -3.46 2.72 2.47 -1.97 -3.19 114.38 120.16 3iwq h ARG 309 Ca -0.29 -0.06 -0.74 0.00 -1.26 0.00 0.00 59.98 57.62 3iwq h ARG 309 Cb 1.14 -0.23 -0.12 0.00 -1.65 0.00 0.00 29.97 29.11 3iwq h ARG 309 CO 0.71 0.69 2.35 0.00 0.56 0.00 0.00 179.97 184.28 3iwq n ALA 310 N -2.39 5.66 -2.67 0.04 0.00 -1.26 -0.40 120.51 119.49 3iwq n ALA 310 Ca 0.14 -4.18 -0.19 0.00 0.00 0.00 0.00 53.44 49.21 3iwq n ALA 310 Cb 0.19 -3.08 -0.12 0.00 0.00 0.00 0.00 19.45 16.44 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 1.27 1.79 -0.33 0.00 0.01 -1.21 -0.75 113.70 114.48 3iwq s SER 311 Ca 0.44 -0.60 -0.22 0.00 1.31 0.00 0.00 55.95 56.88 3iwq s SER 311 Cb 0.12 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.28 3iwq s SER 311 CO -0.03 -0.04 0.70 0.86 0.41 0.00 0.00 173.24 175.14 3iwq s TRP 312 N -1.19 3.17 -0.17 2.43 -0.11 0.73 -4.02 118.94 119.78 3iwq s TRP 312 Ca -0.00 0.57 -0.02 0.00 1.22 0.00 0.00 56.10 57.86 3iwq s TRP 312 Cb -0.10 -3.17 -0.01 0.00 -1.50 0.00 0.00 33.47 28.69 3iwq s TRP 312 CO 0.02 -0.59 -0.09 0.08 -4.62 0.00 0.00 176.95 171.76 3iwq s VAL 313 N 2.82 3.27 0.27 5.86 1.01 0.14 -0.59 120.40 133.19 3iwq s VAL 313 Ca 0.28 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.55 3iwq s VAL 313 Cb -0.14 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.82 3iwq s VAL 313 CO 0.14 0.48 0.58 -1.38 0.00 0.00 0.00 175.10 174.92 3iwq s HIS 314 N 0.78 0.20 -0.29 5.22 -3.43 -0.08 -0.45 115.29 117.24 3iwq s HIS 314 Ca -0.03 -0.61 -0.15 0.00 -0.80 0.00 0.00 55.06 53.47 3iwq s HIS 314 Cb -0.15 0.39 0.12 0.00 -1.43 0.00 0.00 32.58 31.51 3iwq s HIS 314 CO 0.01 -1.12 0.80 0.21 -2.00 0.00 0.00 174.74 172.64 3iwq s LYS 315 N -3.82 0.54 0.41 -0.38 2.47 -0.26 -2.47 119.74 116.23 3iwq s LYS 315 Ca 0.19 1.06 -0.09 0.00 -1.56 0.00 0.00 55.97 55.56 3iwq s LYS 315 Cb -0.03 0.31 -0.06 0.00 -1.46 0.00 0.00 37.83 36.60 3iwq s LYS 315 CO 0.09 -0.13 0.76 0.95 0.16 0.00 0.00 175.35 177.17 3iwq s THR 316 N 1.92 4.82 -0.12 3.43 -4.23 -1.26 -1.97 115.64 118.23 3iwq s THR 316 Ca -0.08 0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 60.85 3iwq s THR 316 Cb -0.06 -3.75 0.03 0.00 1.34 0.00 0.00 72.50 70.06 3iwq s THR 316 CO -0.18 -0.55 0.32 -0.83 -0.54 0.00 0.00 174.62 172.84 3iwq s GLY 317 N -3.27 -0.24 0.04 3.99 0.00 -0.48 -3.71 107.32 103.65 3iwq s GLY 317 Ca 0.50 0.90 -0.09 0.00 0.00 0.00 0.00 44.72 46.03 3iwq s GLY 317 CO 0.33 0.77 0.19 0.00 0.00 0.00 0.00 173.10 174.39 3iwq s ALA 318 N 0.16 -0.33 0.19 3.20 0.00 -1.26 0.04 121.76 123.75 3iwq s ALA 318 Ca -0.00 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.64 3iwq s ALA 318 Cb -0.02 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 3iwq s ALA 318 CO 0.00 -0.38 0.05 0.25 0.00 0.00 0.00 175.76 175.69 3iwq n THR 319 N 0.61 0.00 -0.06 0.00 -2.24 -0.44 -3.83 114.28 108.32 3iwq n THR 319 Ca -0.18 -1.04 0.05 0.00 -2.27 0.00 0.00 64.05 60.60 3iwq n THR 319 Cb 0.59 0.35 0.40 0.00 -2.10 0.00 0.00 70.33 69.57 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 0.68 0.69 -0.43 3.38 0.00 -1.97 -3.08 103.07 102.34 3iwq h GLY 320 Ca -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3iwq h GLY 320 CO 0.23 0.22 0.00 0.61 0.00 0.00 0.00 176.54 177.61 3iwq n GLY 321 N -1.47 1.12 3.06 4.60 0.00 -1.26 -4.46 105.19 106.77 3iwq n GLY 321 Ca 0.06 -0.14 -0.13 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 -0.71 0.68 -0.05 1.61 0.40 -1.17 -2.19 117.98 116.55 3iwq s PHE 322 Ca 0.07 -0.47 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 3iwq s PHE 322 Cb 0.04 -0.41 0.02 0.00 0.51 0.00 0.00 43.02 43.19 3iwq s PHE 322 CO 0.06 -0.07 -0.04 0.20 0.70 0.00 0.00 175.22 176.06 3iwq s GLY 323 N -1.49 0.47 0.12 4.36 0.00 -0.81 -1.32 107.32 108.64 3iwq s GLY 323 Ca -0.09 -0.08 0.06 0.00 0.00 0.00 0.00 44.72 44.61 3iwq s GLY 323 CO 0.00 0.48 -0.15 -1.35 0.00 0.00 0.00 173.10 172.08 3iwq s SER 324 N 0.98 2.05 -0.13 1.64 1.04 0.11 -1.48 113.70 117.92 3iwq s SER 324 Ca -0.10 -0.79 -0.12 0.00 0.48 0.00 0.00 55.95 55.42 3iwq s SER 324 Cb -0.14 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 65.93 3iwq s SER 324 CO -0.00 -0.12 0.34 -0.47 0.98 0.00 0.00 173.24 173.97 3iwq s TYR 325 N -2.01 -0.38 -0.05 5.02 5.04 0.00 -1.38 117.35 123.60 3iwq s TYR 325 Ca 0.08 0.91 0.01 0.00 -2.44 0.00 0.00 57.07 55.64 3iwq s TYR 325 Cb -0.06 0.13 0.02 0.00 0.35 0.00 0.00 41.96 42.40 3iwq s TYR 325 CO 0.03 -0.18 -0.06 0.08 -1.34 0.00 0.00 175.55 174.08 3iwq s VAL 326 N 0.21 0.68 -0.02 3.14 1.01 -0.83 -0.78 120.40 123.81 3iwq s VAL 326 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.76 3iwq s VAL 326 Cb -0.03 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.67 3iwq s VAL 326 CO 0.00 0.26 0.06 0.00 0.00 0.00 0.00 175.10 175.42 3iwq s ALA 327 N 0.98 -0.13 0.10 5.51 0.00 -0.83 -1.10 121.76 126.28 3iwq s ALA 327 Ca -0.10 0.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.76 3iwq s ALA 327 Cb -0.14 -0.07 0.04 0.00 0.00 0.00 0.00 23.12 22.95 3iwq s ALA 327 CO 0.00 -0.05 0.45 -0.59 0.00 0.00 0.00 175.76 175.57 3iwq s PHE 328 N -0.16 -0.30 -0.29 0.00 -0.71 0.41 -0.28 117.98 116.64 3iwq s PHE 328 Ca -0.02 0.12 0.01 0.00 -1.04 0.00 0.00 56.93 55.99 3iwq s PHE 328 Cb -0.02 0.31 0.09 0.00 -1.21 0.00 0.00 43.02 42.19 3iwq s PHE 328 CO 0.00 -0.69 0.05 0.42 -1.34 0.00 0.00 175.22 173.67 3iwq s ILE 329 N -3.29 1.33 0.21 -4.49 1.01 0.28 -0.68 121.20 115.56 3iwq s ILE 329 Ca -0.00 -1.54 -0.10 0.00 0.00 0.00 0.00 60.65 59.01 3iwq s ILE 329 Cb 0.01 -1.90 0.14 0.00 0.01 0.00 0.00 42.46 40.71 3iwq s ILE 329 CO -0.08 -0.51 1.83 -0.65 0.00 0.00 0.00 174.94 175.52 3iwq h PRO 330 N 7.95 0.74 -1.01 2.79 0.11 -1.68 -1.98 132.00 138.93 3iwq h PRO 330 Ca -0.12 -0.04 0.22 0.00 0.11 0.00 0.00 66.00 66.17 3iwq h PRO 330 Cb 1.03 -0.17 -0.11 0.00 0.11 0.00 0.00 31.00 31.86 3iwq h PRO 330 CO 0.46 0.49 0.61 1.49 -0.21 0.00 0.00 178.00 180.84 3iwq h GLU 331 N 0.76 0.62 -0.01 1.05 4.81 -1.05 -2.21 114.58 118.55 3iwq h GLU 331 Ca 0.29 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3iwq h GLU 331 Cb 0.10 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3iwq h GLU 331 CO -0.14 0.41 -0.39 1.63 -0.73 0.00 0.00 179.01 179.79 3iwq n LYS 332 N -4.81 0.94 -3.69 1.92 4.76 -0.79 -4.97 118.16 111.52 3iwq n LYS 332 Ca 0.25 -0.68 -0.24 0.00 -2.87 0.00 0.00 58.31 54.77 3iwq n LYS 332 Cb 0.68 -1.49 0.06 0.00 -1.84 0.00 0.00 35.03 32.44 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 -0.44 -6.44 -4.44 1.97 1.02 -0.83 -4.48 120.64 106.99 3iwq n GLU 333 Ca 0.10 0.72 -0.22 0.00 -0.02 0.00 0.00 57.16 57.75 3iwq n GLU 333 Cb 0.40 -5.63 -0.16 0.00 -0.02 0.00 0.00 31.44 26.03 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 -7.04 1.69 0.17 -4.62 2.96 -1.17 -1.64 118.68 109.03 3iwq s LEU 334 Ca 0.42 -0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 53.94 3iwq s LEU 334 Cb -0.20 -0.63 0.03 0.00 0.50 0.00 0.00 46.19 45.89 3iwq s LEU 334 CO 0.78 0.05 0.48 -0.83 -1.32 0.00 0.00 176.35 175.51 3iwq s GLY 335 N 0.40 -0.17 0.01 7.98 0.00 -0.22 -0.56 107.32 114.76 3iwq s GLY 335 Ca -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 44.72 44.50 3iwq s GLY 335 CO 0.01 -0.26 0.01 -1.50 0.00 0.00 0.00 173.10 171.36 3iwq s ILE 336 N -3.85 0.10 -0.07 0.90 2.07 0.62 -0.52 121.20 120.44 3iwq s ILE 336 Ca 0.07 -0.80 0.01 0.00 -1.41 0.00 0.00 60.65 58.53 3iwq s ILE 336 Cb 0.00 -0.28 0.02 0.00 0.13 0.00 0.00 42.46 42.32 3iwq s ILE 336 CO -0.06 -0.44 -0.10 -0.69 -1.91 0.00 0.00 174.94 171.74 3iwq s VAL 337 N -1.34 0.99 -0.19 4.00 1.01 0.03 -1.96 120.40 122.94 3iwq s VAL 337 Ca -0.15 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.48 3iwq s VAL 337 Cb -0.09 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.38 3iwq s VAL 337 CO -0.00 0.33 -0.13 -0.04 0.00 0.00 0.00 175.10 175.26 3iwq s MET 338 N 0.96 2.27 -0.14 2.72 -1.94 0.04 -1.42 119.30 121.78 3iwq s MET 338 Ca -0.09 -0.83 0.02 0.00 -1.71 0.00 0.00 55.69 53.08 3iwq s MET 338 Cb -0.15 -2.42 0.01 0.00 2.01 0.00 0.00 34.83 34.29 3iwq s MET 338 CO 0.00 -0.36 -0.20 -0.51 -0.01 0.00 0.00 175.02 173.94 3iwq s LEU 339 N 1.37 2.03 0.06 -0.03 1.43 -0.43 -0.82 118.68 122.29 3iwq s LEU 339 Ca 0.00 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.58 3iwq s LEU 339 Cb -0.15 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 3iwq s LEU 339 CO -0.09 0.05 -0.15 0.00 0.23 0.00 0.00 176.35 176.39 3iwq s ALA 340 N 0.94 1.22 -0.58 4.21 0.00 -0.55 -1.00 121.76 126.01 3iwq s ALA 340 Ca -0.05 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 3iwq s ALA 340 Cb -0.15 -0.15 0.47 0.00 0.00 0.00 0.00 23.12 23.29 3iwq s ALA 340 CO -0.04 0.21 1.99 0.27 0.00 0.00 0.00 175.76 178.19 3iwq n ASN 341 N 1.60 6.61 -3.89 0.00 6.94 -0.93 -1.92 115.26 123.67 3iwq n ASN 341 Ca -0.19 -3.65 -0.12 0.00 -0.02 0.00 0.00 54.58 50.59 3iwq n ASN 341 Cb 0.54 -0.95 -0.14 0.00 -2.36 0.00 0.00 39.78 36.88 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 -3.46 0.07 -0.42 -3.83 2.20 -0.93 -1.33 119.74 112.03 3iwq s LYS 342 Ca 0.59 -0.08 -0.26 0.00 -0.36 0.00 0.00 55.97 55.86 3iwq s LYS 342 Cb 0.47 -0.03 0.02 0.00 -1.51 0.00 0.00 37.83 36.79 3iwq s LYS 342 CO 0.02 0.01 0.97 1.21 -0.36 0.00 0.00 175.35 177.20 3iwq s ASN 343 N -0.16 6.61 0.32 1.43 2.47 -1.25 -1.96 114.94 122.41 3iwq s ASN 343 Ca -0.01 0.40 0.07 0.00 0.42 0.00 0.00 52.86 53.73 3iwq s ASN 343 Cb -0.01 -2.48 -0.06 0.00 -1.45 0.00 0.00 41.25 37.25 3iwq s ASN 343 CO -0.00 -1.01 -0.04 -0.72 -3.72 0.00 0.00 177.10 171.60 3iwq s TYR 344 N 3.78 2.16 0.55 0.43 -0.85 -1.26 -4.93 117.35 117.23 3iwq s TYR 344 Ca 0.40 -0.67 -0.21 0.00 -0.52 0.00 0.00 57.07 56.07 3iwq s TYR 344 Cb -0.10 -1.31 -0.05 0.00 0.38 0.00 0.00 41.96 40.88 3iwq s TYR 344 CO 0.24 0.35 1.25 -2.14 -1.52 0.00 0.00 175.55 173.73 3iwq s PRO 345 N -3.71 3.19 0.22 -3.49 0.02 -1.26 -4.92 135.00 125.05 3iwq s PRO 345 Ca 0.32 1.95 -0.08 0.00 0.02 0.00 0.00 61.00 63.21 3iwq s PRO 345 Cb 0.05 -2.14 0.29 0.00 0.02 0.00 0.00 34.50 32.72 3iwq s PRO 345 CO 0.15 -1.07 1.78 -0.91 -0.33 0.00 0.00 177.00 176.62 3iwq h ASN 346 N 1.32 0.43 0.17 2.53 2.35 -1.97 -2.67 115.58 117.74 3iwq h ASN 346 Ca -0.50 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.27 3iwq h ASN 346 Cb 1.29 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.64 3iwq h ASN 346 CO 0.57 0.25 -0.15 -0.65 -1.65 0.00 0.00 177.43 175.80 3iwq h PRO 347 N 0.57 0.00 -0.53 0.81 0.11 -1.83 -0.87 132.00 130.27 3iwq h PRO 347 Ca 0.32 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.38 3iwq h PRO 347 Cb 0.32 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 3iwq h PRO 347 CO -0.25 0.15 0.10 0.00 -0.21 0.00 0.00 178.00 177.79 3iwq h ALA 348 N 1.85 0.70 -0.09 -0.75 0.00 -1.83 0.75 119.26 119.89 3iwq h ALA 348 Ca -0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3iwq h ALA 348 Cb 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3iwq h ALA 348 CO 0.02 0.43 0.04 0.00 0.00 0.00 0.00 179.25 179.74 3iwq h ARG 349 N 0.75 0.14 -0.46 0.00 3.08 -1.22 -2.29 114.38 114.39 3iwq h ARG 349 Ca 0.16 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 3iwq h ARG 349 Cb 0.38 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3iwq h ARG 349 CO 0.01 0.24 -0.24 0.28 -1.07 0.00 0.00 179.97 179.19 3iwq h VAL 350 N 0.01 1.27 0.11 2.04 2.07 -1.03 -1.35 116.25 119.37 3iwq h VAL 350 Ca 0.03 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.16 3iwq h VAL 350 Cb 0.15 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3iwq h VAL 350 CO -0.00 0.48 -0.14 -0.78 0.02 0.00 0.00 177.57 177.14 3iwq h ASP 351 N 0.81 -0.39 -0.68 0.57 1.82 -0.87 0.19 116.42 117.87 3iwq h ASP 351 Ca 0.10 0.04 0.06 0.00 -0.39 0.00 0.00 57.03 56.84 3iwq h ASP 351 Cb 0.82 0.14 -0.06 0.00 0.68 0.00 0.00 39.33 40.92 3iwq h ASP 351 CO 0.07 -0.21 0.38 0.00 -1.61 0.00 0.00 179.24 177.87 3iwq h ALA 352 N 0.55 0.92 -0.54 -0.78 0.00 -1.28 -1.07 119.26 117.06 3iwq h ALA 352 Ca 0.01 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 3iwq h ALA 352 Cb 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3iwq h ALA 352 CO -0.06 0.06 -0.02 0.00 0.00 0.00 0.00 179.25 179.23 3iwq h ALA 353 N 1.35 0.73 -0.15 0.00 0.00 -0.88 -2.48 119.26 117.83 3iwq h ALA 353 Ca 0.31 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3iwq h ALA 353 Cb 0.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3iwq h ALA 353 CO -0.18 0.56 -0.00 2.35 0.00 0.00 0.00 179.25 181.98 3iwq h TRP 354 N 0.84 -0.01 -0.76 0.00 2.91 -0.16 -0.64 115.95 118.13 3iwq h TRP 354 Ca 0.15 0.01 0.11 0.00 1.13 0.00 0.00 58.89 60.29 3iwq h TRP 354 Cb 0.56 0.03 -0.08 0.00 -0.51 0.00 0.00 29.16 29.15 3iwq h TRP 354 CO 0.04 -0.02 0.38 1.96 -1.03 0.00 0.00 178.44 179.77 3iwq h GLN 355 N 0.05 0.59 0.08 2.65 1.08 -1.01 0.14 115.11 118.69 3iwq h GLN 355 Ca 0.07 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3iwq h GLN 355 Cb 0.08 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3iwq h GLN 355 CO -0.12 0.39 -0.04 0.82 -0.95 0.00 0.00 178.83 178.93 3iwq h ILE 356 N 0.60 1.18 -0.29 2.54 2.04 -1.11 -2.60 117.51 119.87 3iwq h ILE 356 Ca 0.39 -1.28 -0.11 0.00 1.00 0.00 0.00 64.86 64.86 3iwq h ILE 356 Cb 0.47 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 3iwq h ILE 356 CO -0.31 0.30 -0.30 -0.07 0.00 0.00 0.00 178.15 177.77 3iwq h LEU 357 N -0.73 0.62 -1.15 1.44 3.38 -0.93 -2.36 115.31 115.57 3iwq h LEU 357 Ca -0.01 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 3iwq h LEU 357 Cb 0.57 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3iwq h LEU 357 CO 0.02 0.89 -0.21 -1.13 0.09 0.00 0.00 178.44 178.09 3iwq h ASN 358 N 0.52 0.32 0.39 -0.43 -1.24 -0.82 -0.14 115.58 114.19 3iwq h ASN 358 Ca 0.06 -0.09 -0.09 0.00 0.71 0.00 0.00 56.30 56.89 3iwq h ASN 358 Cb 0.77 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.72 3iwq h ASN 358 CO 0.06 0.55 -0.42 0.00 -1.29 0.00 0.00 177.43 176.34 3iwq h ALA 359 N 1.48 1.28 0.00 1.57 0.00 -1.02 -3.29 119.26 119.29 3iwq h ALA 359 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3iwq h ALA 359 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3iwq h ALA 359 CO 0.04 0.53 -1.53 1.28 0.00 0.00 0.00 179.25 179.57 3iwq n LEU 360 N -4.04 0.41 0.00 0.00 4.77 -0.89 -5.11 117.00 112.15 3iwq n LEU 360 Ca -0.02 -0.14 0.08 0.00 -0.03 0.00 0.00 56.01 55.90 3iwq n LEU 360 Cb 0.45 -0.02 0.46 0.00 -2.33 0.00 0.00 43.42 41.98 3iwq n LEU 360 CO 0.40 0.07 0.67 1.67 -1.33 0.00 0.00 177.39 178.87