#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5a s ALA 17 N 0.00 -1.40 -0.18 -1.46 0.00 -1.00 -4.85 121.76 112.88 3i5a s ALA 17 Ca 0.00 1.60 -0.04 0.00 0.00 0.00 0.00 51.96 53.52 3i5a s ALA 17 Cb 0.00 -0.93 0.08 0.00 0.00 0.00 0.00 23.12 22.27 3i5a s ALA 17 CO 0.00 -0.27 0.18 1.41 0.00 0.00 0.00 175.76 177.08 3i5a s MET 18 N 0.32 0.13 -0.27 0.00 0.00 -1.26 -1.05 119.30 117.18 3i5a s MET 18 Ca -0.00 0.16 -0.11 0.00 0.00 0.00 0.00 55.69 55.73 3i5a s MET 18 Cb -0.04 -1.29 -0.05 0.00 0.00 0.00 0.00 34.83 33.45 3i5a s MET 18 CO 0.00 -0.62 0.20 0.54 0.00 0.00 0.00 175.02 175.14 3i5a s VAL 19 N 2.27 5.31 -0.42 10.11 0.11 -0.16 -0.39 120.40 137.22 3i5a s VAL 19 Ca 0.05 0.21 -0.21 0.00 -2.93 0.00 0.00 61.98 59.10 3i5a s VAL 19 Cb -0.15 -3.54 0.02 0.00 -1.53 0.00 0.00 36.38 31.18 3i5a s VAL 19 CO -0.10 0.26 0.69 -0.22 -3.33 0.00 0.00 175.10 172.40 3i5a s LEU 20 N 1.62 4.37 0.06 2.54 2.96 -0.94 -0.69 118.68 128.59 3i5a s LEU 20 Ca 0.08 -0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.69 3i5a s LEU 20 Cb -0.15 -2.82 -0.06 0.00 0.50 0.00 0.00 46.19 43.66 3i5a s LEU 20 CO 0.09 -0.78 0.48 -0.22 -1.32 0.00 0.00 176.35 174.60 3i5a s LEU 21 N 2.94 4.45 -0.17 -0.68 2.96 -0.18 -0.17 118.68 127.84 3i5a s LEU 21 Ca 0.25 1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 55.17 3i5a s LEU 21 Cb -0.14 -2.84 0.06 0.00 0.50 0.00 0.00 46.19 43.77 3i5a s LEU 21 CO 0.19 0.25 0.07 -0.69 -1.32 0.00 0.00 176.35 174.85 3i5a s VAL 22 N -1.20 0.13 -0.25 1.68 1.01 -0.63 0.02 120.40 121.16 3i5a s VAL 22 Ca 0.29 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 3i5a s VAL 22 Cb -0.17 -0.71 0.07 0.00 0.00 0.00 0.00 36.38 35.57 3i5a s VAL 22 CO 0.16 -0.23 0.72 -0.62 0.00 0.00 0.00 175.10 175.14 3i5a s ASP 23 N 2.04 -0.74 0.17 3.32 -1.08 -1.16 -1.85 116.67 117.37 3i5a s ASP 23 Ca 0.01 1.39 -0.11 0.00 -0.52 0.00 0.00 52.55 53.32 3i5a s ASP 23 Cb -0.16 1.39 0.06 0.00 -1.46 0.00 0.00 42.92 42.75 3i5a s ASP 23 CO -0.08 -0.28 1.67 -2.24 0.52 0.00 0.00 175.17 174.76 3i5a h ASP 24 N 4.84 0.89 -3.33 -0.34 2.03 -1.84 -3.37 116.42 115.30 3i5a h ASP 24 Ca -0.29 -0.24 -0.59 0.00 -0.73 0.00 0.00 57.03 55.18 3i5a h ASP 24 Cb 1.16 -0.24 -0.08 0.00 -0.83 0.00 0.00 39.33 39.34 3i5a h ASP 24 CO 0.08 0.90 0.36 -1.10 -1.03 0.00 0.00 179.24 178.45 3i5a s GLN 25 N -5.27 4.23 0.61 4.15 -0.21 -1.26 -4.92 119.66 116.98 3i5a s GLN 25 Ca -0.12 0.88 0.31 0.00 0.02 0.00 0.00 55.36 56.45 3i5a s GLN 25 Cb 0.13 -3.61 1.71 0.00 1.00 0.00 0.00 33.01 32.24 3i5a s GLN 25 CO 0.82 -0.39 2.06 0.00 -2.12 0.00 0.00 175.29 175.65 3i5a h ALA 26 N 7.53 1.67 0.00 6.09 0.00 -1.99 -1.51 119.26 131.05 3i5a h ALA 26 Ca -0.27 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3i5a h ALA 26 Cb 1.12 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3i5a h ALA 26 CO 0.83 -0.34 -0.27 0.00 0.00 0.00 0.00 179.25 179.47 3i5a h MET 27 N 0.00 0.00 0.10 0.00 -0.00 -1.97 0.06 114.93 113.13 3i5a h MET 27 Ca 0.08 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.59 3i5a h MET 27 Cb 0.59 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.20 3i5a h MET 27 CO -0.00 0.27 -0.91 0.82 -0.00 0.00 0.00 176.91 177.09 3i5a h ILE 28 N 0.00 1.36 -0.65 -0.10 5.03 -1.68 -2.76 117.51 118.72 3i5a h ILE 28 Ca -0.00 -2.44 0.19 0.00 -0.12 0.00 0.00 64.86 62.48 3i5a h ILE 28 Cb 0.62 3.01 -0.03 0.00 -3.03 0.00 0.00 36.82 37.40 3i5a h ILE 28 CO 0.04 0.67 0.51 1.23 -0.68 0.00 0.00 178.15 179.91 3i5a h GLY 29 N -0.37 0.00 0.42 5.37 0.00 -1.40 -1.83 103.07 105.26 3i5a h GLY 29 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 3i5a h GLY 29 CO 0.08 0.00 -0.58 -2.09 0.00 0.00 0.00 176.54 173.95 3i5a h GLU 30 N 0.00 0.18 -0.58 4.80 4.57 -1.03 -2.51 114.58 120.02 3i5a h GLU 30 Ca 0.31 -0.32 0.06 0.00 -1.18 0.00 0.00 59.36 58.23 3i5a h GLU 30 Cb 1.32 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.98 3i5a h GLU 30 CO -0.00 1.15 0.29 0.00 -1.18 0.00 0.00 179.01 179.27 3i5a h ALA 31 N 0.03 0.75 0.38 2.92 0.00 -1.08 -0.05 119.26 122.23 3i5a h ALA 31 Ca -0.11 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3i5a h ALA 31 Cb 1.42 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3i5a h ALA 31 CO 0.08 -0.07 -0.18 0.28 0.00 0.00 0.00 179.25 179.37 3i5a h VAL 32 N 0.54 0.61 -0.94 0.00 2.07 -1.47 0.15 116.25 117.21 3i5a h VAL 32 Ca 0.26 -0.38 0.28 0.00 0.82 0.00 0.00 66.70 67.68 3i5a h VAL 32 Cb 0.20 0.79 -0.16 0.00 -1.52 0.00 0.00 31.29 30.60 3i5a h VAL 32 CO -0.19 0.07 0.26 -0.09 0.02 0.00 0.00 177.57 177.64 3i5a h ARG 33 N -0.74 0.13 -0.19 1.57 2.43 -1.16 -0.14 114.38 116.28 3i5a h ARG 33 Ca -0.05 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 3i5a h ARG 33 Cb 0.51 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3i5a h ARG 33 CO 0.09 0.09 -0.31 0.00 -1.51 0.00 0.00 179.97 178.32 3i5a h ARG 34 N 0.13 0.55 -0.04 0.20 3.08 -0.71 -2.54 114.38 115.06 3i5a h ARG 34 Ca 0.63 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 60.35 3i5a h ARG 34 Cb 1.37 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.46 3i5a h ARG 34 CO -0.74 0.94 0.03 0.78 -1.07 0.00 0.00 179.97 179.91 3i5a h GLY 35 N 0.21 0.00 -0.93 0.04 0.00 0.79 -3.05 103.07 100.13 3i5a h GLY 35 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3i5a h GLY 35 CO 0.07 0.00 -0.34 1.04 0.00 0.00 0.00 176.54 177.31 3i5a n LEU 36 N -4.16 1.89 -0.17 3.11 4.32 -0.53 -4.49 117.00 116.97 3i5a n LEU 36 Ca -0.02 -0.79 -0.09 0.00 -0.02 0.00 0.00 56.01 55.09 3i5a n LEU 36 Cb 0.13 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.93 3i5a n LEU 36 CO 0.31 0.35 0.92 0.00 -1.22 0.00 0.00 177.39 177.75 3i5a h ALA 37 N 3.30 0.64 0.00 -1.18 0.00 -1.34 -2.73 119.26 117.95 3i5a h ALA 37 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i5a h ALA 37 Cb 0.65 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3i5a h ALA 37 CO 0.00 0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.94 3i5a n GLY 38 N -0.70 1.54 2.59 0.00 0.00 -1.26 -4.50 105.19 102.86 3i5a n GLY 38 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 3i5a n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i5a s HIS 39 N -0.30 0.66 0.23 1.61 4.02 -1.03 -5.00 115.29 115.47 3i5a s HIS 39 Ca 0.00 -1.08 0.02 0.00 1.02 0.00 0.00 55.06 55.02 3i5a s HIS 39 Cb 0.00 -1.09 0.22 0.00 -1.02 0.00 0.00 32.58 30.69 3i5a s HIS 39 CO 0.00 -0.83 1.55 0.93 1.02 0.00 0.00 174.74 177.41 3i5a h GLU 40 N 8.33 0.36 -0.55 1.40 4.39 -1.83 -3.01 114.58 123.67 3i5a h GLU 40 Ca -0.18 -0.23 0.14 0.00 0.34 0.00 0.00 59.36 59.43 3i5a h GLU 40 Cb 1.01 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.67 3i5a h GLU 40 CO 0.44 0.82 0.39 0.66 -1.16 0.00 0.00 179.01 180.17 3i5a h SER 41 N 0.27 0.08 -3.35 1.42 4.64 -1.95 -3.41 113.55 111.24 3i5a h SER 41 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 3i5a h SER 41 Cb 1.07 -0.01 -0.33 0.00 -0.31 0.00 0.00 62.40 62.82 3i5a h SER 41 CO 0.09 0.04 -0.85 -0.51 -0.87 0.00 0.00 176.83 174.73 3i5a s ILE 42 N -5.09 1.67 0.14 0.95 2.07 -1.14 -2.36 121.20 117.43 3i5a s ILE 42 Ca -0.06 -0.78 0.04 0.00 -1.41 0.00 0.00 60.65 58.44 3i5a s ILE 42 Cb 0.20 -1.47 -0.04 0.00 0.13 0.00 0.00 42.46 41.28 3i5a s ILE 42 CO 0.73 0.47 0.17 -1.81 -1.91 0.00 0.00 174.94 172.60 3i5a s ASP 43 N 0.55 5.78 0.13 4.50 1.01 -0.21 -4.79 116.67 123.63 3i5a s ASP 43 Ca -0.16 -0.01 0.09 0.00 0.71 0.00 0.00 52.55 53.18 3i5a s ASP 43 Cb -0.17 -1.60 -0.04 0.00 1.01 0.00 0.00 42.92 42.12 3i5a s ASP 43 CO 0.05 0.09 -0.15 0.12 0.21 0.00 0.00 175.17 175.49 3i5a s PHE 44 N -1.67 2.58 -0.23 4.23 5.36 -1.26 -0.99 117.98 126.00 3i5a s PHE 44 Ca 0.32 -0.24 -0.03 0.00 -0.96 0.00 0.00 56.93 56.02 3i5a s PHE 44 Cb -0.11 -1.34 0.12 0.00 -0.34 0.00 0.00 43.02 41.36 3i5a s PHE 44 CO 0.25 0.43 0.35 -1.58 -1.46 0.00 0.00 175.22 173.20 3i5a s HIS 45 N -1.31 -0.71 0.03 10.12 5.65 0.13 -4.90 115.29 124.31 3i5a s HIS 45 Ca 0.20 0.72 -0.23 0.00 0.25 0.00 0.00 55.06 56.00 3i5a s HIS 45 Cb -0.10 -0.06 -0.06 0.00 -1.18 0.00 0.00 32.58 31.19 3i5a s HIS 45 CO 0.12 -0.69 0.68 0.12 -0.65 0.00 0.00 174.74 174.32 3i5a s PHE 46 N 2.50 3.73 -0.43 3.88 5.36 -1.26 -1.01 117.98 130.75 3i5a s PHE 46 Ca 0.11 1.35 0.02 0.00 -0.96 0.00 0.00 56.93 57.45 3i5a s PHE 46 Cb -0.15 -2.70 0.14 0.00 -0.34 0.00 0.00 43.02 39.96 3i5a s PHE 46 CO -0.15 0.35 0.24 0.00 -1.46 0.00 0.00 175.22 174.20 3i5a h ALA 48 N 6.71 0.86 -1.85 0.00 0.00 -1.83 -3.08 119.26 120.07 3i5a h ALA 48 Ca 0.02 -0.35 -0.68 0.00 0.00 0.00 0.00 54.91 53.89 3i5a h ALA 48 Cb 0.93 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 18.48 3i5a h ALA 48 CO 0.44 0.48 0.22 0.34 0.00 0.00 0.00 179.25 180.74 3i5a s ASP 49 N -6.38 6.18 0.00 0.00 3.68 -1.26 -4.44 116.67 114.45 3i5a s ASP 49 Ca 0.02 -1.28 0.02 0.00 2.13 0.00 0.00 52.55 53.44 3i5a s ASP 49 Cb 0.09 -2.33 0.11 0.00 -1.45 0.00 0.00 42.92 39.34 3i5a s ASP 49 CO 0.70 -1.19 0.91 -0.81 0.13 0.00 0.00 175.17 174.91 3i5a n PRO 50 N 6.68 0.03 -1.15 4.34 -0.04 -1.26 -1.46 135.00 142.14 3i5a n PRO 50 Ca -0.08 0.29 -0.19 0.00 -0.04 0.00 0.00 63.50 63.48 3i5a n PRO 50 Cb 0.43 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.56 3i5a n PRO 50 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i5a n HIS 51 N -1.31 2.48 -1.31 0.54 8.25 -1.26 -3.67 115.22 118.94 3i5a n HIS 51 Ca 0.01 -1.94 0.00 0.00 -0.26 0.00 0.00 57.72 55.53 3i5a n HIS 51 Cb 0.02 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.28 3i5a n HIS 51 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3i5a n GLN 52 N -1.10 0.00 0.04 -0.41 6.02 -0.54 -4.98 117.38 116.41 3i5a n GLN 52 Ca 0.52 -0.08 -0.07 0.00 -0.01 0.00 0.00 57.00 57.36 3i5a n GLN 52 Cb 1.33 -0.35 -0.04 0.00 1.02 0.00 0.00 30.24 32.20 3i5a n GLN 52 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i5a h ALA 53 N 0.00 -0.73 -0.28 -1.58 0.00 -1.62 0.14 119.26 115.19 3i5a h ALA 53 Ca 0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3i5a h ALA 53 Cb 0.62 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 3i5a h ALA 53 CO 0.00 -0.79 -0.08 -0.84 0.00 0.00 0.00 179.25 177.54 3i5a h ILE 54 N -0.32 1.21 0.21 0.00 3.07 -1.94 -0.91 117.51 118.84 3i5a h ILE 54 Ca -0.00 -0.87 0.01 0.00 1.55 0.00 0.00 64.86 65.55 3i5a h ILE 54 Cb 0.33 1.08 -0.03 0.00 -0.27 0.00 0.00 36.82 37.93 3i5a h ILE 54 CO -0.14 0.29 -0.30 0.00 -1.05 0.00 0.00 178.15 176.95 3i5a h ALA 55 N 1.50 -0.58 -0.12 0.16 0.00 -1.84 -1.25 119.26 117.14 3i5a h ALA 55 Ca 0.09 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3i5a h ALA 55 Cb 0.40 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3i5a h ALA 55 CO 0.02 -0.87 -0.25 1.96 0.00 0.00 0.00 179.25 180.11 3i5a h GLN 56 N -0.58 0.20 -0.71 0.00 4.20 -0.52 -2.13 115.11 115.59 3i5a h GLN 56 Ca 0.01 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.72 3i5a h GLN 56 Cb 0.57 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.27 3i5a h GLN 56 CO -0.12 0.45 0.40 0.00 -0.67 0.00 0.00 178.83 178.89 3i5a h ALA 57 N 1.56 0.96 -0.53 3.87 0.00 -0.75 -0.80 119.26 123.58 3i5a h ALA 57 Ca 0.03 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3i5a h ALA 57 Cb 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3i5a h ALA 57 CO 0.04 0.08 -0.09 0.28 0.00 0.00 0.00 179.25 179.57 3i5a h VAL 58 N 0.73 1.26 -0.08 0.00 2.07 -0.69 -2.93 116.25 116.62 3i5a h VAL 58 Ca 0.32 -1.22 -0.15 0.00 0.82 0.00 0.00 66.70 66.47 3i5a h VAL 58 Cb 0.20 0.95 0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3i5a h VAL 58 CO -0.19 0.43 -0.54 -0.61 0.02 0.00 0.00 177.57 176.68 3i5a h GLN 59 N 0.87 0.51 0.00 1.57 5.75 -0.75 -3.32 115.11 119.74 3i5a h GLN 59 Ca 0.14 -0.44 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 3i5a h GLN 59 Cb 0.63 0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.28 3i5a h GLN 59 CO 0.04 1.07 -0.75 0.44 -2.65 0.00 0.00 178.83 176.99 3i5a n ILE 60 N -4.22 0.05 -3.52 2.39 -5.35 -0.37 -5.00 119.36 103.35 3i5a n ILE 60 Ca -0.08 -0.06 -0.22 0.00 -0.27 0.00 0.00 62.75 62.11 3i5a n ILE 60 Cb 0.62 0.41 0.03 0.00 -1.74 0.00 0.00 39.64 38.97 3i5a n ILE 60 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3i5a n LYS 61 N -1.62 -1.40 -1.42 6.28 5.02 -1.10 -4.96 118.16 118.95 3i5a n LYS 61 Ca 0.04 0.77 -0.32 0.00 -2.02 0.00 0.00 58.31 56.78 3i5a n LYS 61 Cb 0.36 -4.39 0.08 0.00 -0.02 0.00 0.00 35.03 31.06 3i5a n LYS 61 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3i5a s PRO 62 N -5.01 2.35 0.00 1.97 0.04 -1.26 -4.86 135.00 128.23 3i5a s PRO 62 Ca 0.31 1.33 0.14 0.00 0.04 0.00 0.00 61.00 62.81 3i5a s PRO 62 Cb -0.10 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 3i5a s PRO 62 CO 0.83 -1.59 0.62 0.25 0.04 0.00 0.00 177.00 177.15 3i5a n THR 63 N -3.10 0.00 -3.64 1.26 -2.24 0.47 -4.94 114.28 102.10 3i5a n THR 63 Ca 0.10 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 3i5a n THR 63 Cb 0.52 1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 69.72 3i5a n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3i5a s VAL 64 N -2.16 0.00 -0.00 2.28 0.11 -1.15 -4.00 120.40 115.48 3i5a s VAL 64 Ca 0.07 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.16 3i5a s VAL 64 Cb 0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 3i5a s VAL 64 CO 0.51 0.00 -0.14 0.27 -3.33 0.00 0.00 175.10 172.41 3i5a s ILE 65 N 1.06 3.11 -0.20 7.04 -5.25 -0.67 -2.22 121.20 124.07 3i5a s ILE 65 Ca -0.06 -0.90 -0.06 0.00 -0.99 0.00 0.00 60.65 58.65 3i5a s ILE 65 Cb -0.04 -2.28 -0.03 0.00 2.95 0.00 0.00 42.46 43.05 3i5a s ILE 65 CO -0.13 0.45 0.03 -0.76 -1.79 0.00 0.00 174.94 172.74 3i5a s LEU 66 N -1.15 3.43 -0.17 0.37 1.43 0.77 -1.27 118.68 122.09 3i5a s LEU 66 Ca 0.14 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 3i5a s LEU 66 Cb -0.11 -1.88 0.02 0.00 0.03 0.00 0.00 46.19 44.26 3i5a s LEU 66 CO 0.04 0.08 -0.19 -1.58 0.23 0.00 0.00 176.35 174.93 3i5a s GLN 67 N 0.92 2.84 0.35 1.70 2.00 0.19 -1.60 119.66 126.06 3i5a s GLN 67 Ca 0.02 -0.77 -0.27 0.00 -2.00 0.00 0.00 55.36 52.34 3i5a s GLN 67 Cb -0.14 -2.47 -0.09 0.00 0.80 0.00 0.00 33.01 31.11 3i5a s GLN 67 CO 0.02 -0.22 1.18 0.34 -0.50 0.00 0.00 175.29 176.12 3i5a s ASP 68 N 1.33 6.80 0.15 6.67 3.68 -0.77 0.13 116.67 134.66 3i5a s ASP 68 Ca 0.05 2.40 0.17 0.00 2.13 0.00 0.00 52.55 57.30 3i5a s ASP 68 Cb -0.13 -2.63 -0.05 0.00 -1.45 0.00 0.00 42.92 38.67 3i5a s ASP 68 CO -0.13 -0.49 1.06 -0.07 0.13 0.00 0.00 175.17 175.67 3i5a h LEU 69 N 3.14 0.00 -8.15 -1.34 4.07 -1.83 -3.41 115.31 107.80 3i5a h LEU 69 Ca -0.48 0.00 -0.61 0.00 0.08 0.00 0.00 57.88 56.86 3i5a h LEU 69 Cb 1.23 0.00 -0.34 0.00 1.08 0.00 0.00 40.66 42.63 3i5a h LEU 69 CO 0.64 0.47 -0.85 -0.69 -1.08 0.00 0.00 178.44 176.93 3i5a s VAL 70 N -3.00 1.68 0.00 1.22 1.01 -1.26 -2.11 120.40 117.95 3i5a s VAL 70 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3i5a s VAL 70 Cb 0.08 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.97 3i5a s VAL 70 CO 0.79 0.48 0.00 0.23 0.00 0.00 0.00 175.10 176.59 3i5a n MET 71 N 3.82 0.32 -2.35 2.72 2.81 -1.26 -4.70 117.12 118.49 3i5a n MET 71 Ca -0.20 0.00 -0.37 0.00 -1.81 0.00 0.00 57.70 55.32 3i5a n MET 71 Cb 0.52 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.99 3i5a n MET 71 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3i5a s PRO 72 N 0.69 3.13 -1.41 0.03 0.02 -1.26 -4.22 135.00 131.99 3i5a s PRO 72 Ca 0.00 -0.56 -0.08 0.00 0.02 0.00 0.00 61.00 60.38 3i5a s PRO 72 Cb 0.00 -4.99 0.01 0.00 0.02 0.00 0.00 34.50 29.54 3i5a s PRO 72 CO 0.00 -2.60 0.33 0.41 -0.33 0.00 0.00 177.00 174.81 3i5a n GLY 73 N 6.53 -0.36 3.18 0.52 0.00 -1.26 -4.96 105.19 108.84 3i5a n GLY 73 Ca 0.29 0.22 -0.06 0.00 0.00 0.00 0.00 46.02 46.47 3i5a n GLY 73 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i5a s LEU 74 N -7.17 -0.79 0.16 0.99 2.96 -1.26 -5.13 118.68 108.43 3i5a s LEU 74 Ca 0.13 0.81 -0.33 0.00 -0.22 0.00 0.00 54.13 54.52 3i5a s LEU 74 Cb -0.06 1.49 -0.13 0.00 0.50 0.00 0.00 46.19 47.99 3i5a s LEU 74 CO 0.94 -0.26 1.69 -0.67 -1.32 0.00 0.00 176.35 176.74 3i5a n ASP 75 N 5.39 3.61 -0.30 3.68 2.03 -1.26 -4.12 116.55 125.58 3i5a n ASP 75 Ca -0.06 1.05 -0.05 0.00 0.52 0.00 0.00 54.79 56.25 3i5a n ASP 75 Cb 0.50 -1.50 0.07 0.00 -0.72 0.00 0.00 41.12 39.47 3i5a n ASP 75 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3i5a h GLY 76 N 6.83 1.29 2.00 0.27 0.00 -1.65 -2.48 103.07 109.32 3i5a h GLY 76 Ca -0.45 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.19 3i5a h GLY 76 CO 0.93 0.63 -0.17 1.41 0.00 0.00 0.00 176.54 179.34 3i5a h LEU 77 N 1.18 0.00 -1.27 3.11 3.38 -1.86 -1.41 115.31 118.45 3i5a h LEU 77 Ca 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 3i5a h LEU 77 Cb 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3i5a h LEU 77 CO -0.03 0.17 0.29 0.74 0.09 0.00 0.00 178.44 179.69 3i5a h THR 78 N 0.00 1.18 0.10 0.22 2.02 -1.82 -0.58 112.91 114.04 3i5a h THR 78 Ca -0.00 -0.49 -0.27 0.00 0.77 0.00 0.00 66.41 66.42 3i5a h THR 78 Cb 0.57 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 67.43 3i5a h THR 78 CO 0.02 0.21 -1.17 0.25 0.37 0.00 0.00 175.52 175.20 3i5a h LEU 79 N 0.80 0.55 -1.95 2.58 5.85 -1.23 -2.20 115.31 119.72 3i5a h LEU 79 Ca 0.20 -0.53 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 3i5a h LEU 79 Cb 0.06 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 3i5a h LEU 79 CO -0.03 1.37 -0.09 0.58 -0.34 0.00 0.00 178.44 179.94 3i5a h VAL 80 N 0.15 0.89 0.61 1.05 2.07 -1.15 -0.76 116.25 119.11 3i5a h VAL 80 Ca -0.13 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3i5a h VAL 80 Cb 1.86 1.18 0.01 0.00 -1.52 0.00 0.00 31.29 32.81 3i5a h VAL 80 CO 0.20 0.08 -0.29 0.03 0.02 0.00 0.00 177.57 177.61 3i5a h ARG 81 N 0.00 -0.79 -0.56 1.57 3.08 -0.74 -3.09 114.38 113.85 3i5a h ARG 81 Ca -0.00 0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.16 3i5a h ARG 81 Cb 0.17 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 3i5a h ARG 81 CO 0.01 -0.47 0.26 0.93 -1.07 0.00 0.00 179.97 179.63 3i5a h GLU 82 N -1.03 0.48 -0.47 0.04 5.08 -1.00 -0.63 114.58 117.05 3i5a h GLU 82 Ca -0.08 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.34 3i5a h GLU 82 Cb 0.68 -0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.73 3i5a h GLU 82 CO 0.14 0.31 -0.16 1.88 -1.00 0.00 0.00 179.01 180.19 3i5a h TYR 83 N 0.49 -0.36 0.00 4.33 0.99 -1.21 0.63 116.97 121.84 3i5a h TYR 83 Ca 0.26 0.05 0.00 0.00 2.00 0.00 0.00 58.73 61.03 3i5a h TYR 83 Cb 0.22 0.23 0.00 0.00 1.00 0.00 0.00 36.73 38.18 3i5a h TYR 83 CO -0.12 -0.24 0.00 0.54 -0.00 0.00 0.00 178.16 178.34 3i5a n ARG 84 N -5.37 0.06 -0.06 4.88 5.12 -1.02 -2.57 116.66 117.69 3i5a n ARG 84 Ca 0.04 0.15 -0.03 0.00 -1.93 0.00 0.00 57.85 56.07 3i5a n ARG 84 Cb 0.28 -1.58 -0.01 0.00 -1.16 0.00 0.00 32.46 29.98 3i5a n ARG 84 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3i5a h SER 85 N 0.00 0.00 -2.62 0.55 0.87 0.14 -3.44 113.55 109.05 3i5a h SER 85 Ca 0.00 0.00 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 3i5a h SER 85 Cb 0.45 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.43 3i5a h SER 85 CO 0.00 0.66 1.06 0.21 -0.53 0.00 0.00 176.83 178.22 3i5a s ASN 86 N -5.64 6.60 0.00 6.23 2.47 0.17 -4.87 114.94 119.90 3i5a s ASN 86 Ca -0.09 2.44 0.21 0.00 0.42 0.00 0.00 52.86 55.84 3i5a s ASN 86 Cb 0.01 -2.55 1.00 0.00 -1.45 0.00 0.00 41.25 38.26 3i5a s ASN 86 CO 0.14 -0.92 1.66 -2.65 -3.72 0.00 0.00 177.10 171.61 3i5a n PRO 87 N 6.32 0.21 0.00 0.43 -0.02 -1.26 -0.45 135.00 140.23 3i5a n PRO 87 Ca 0.17 0.11 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3i5a n PRO 87 Cb 0.41 -1.50 0.59 0.00 -0.02 0.00 0.00 33.50 32.99 3i5a n PRO 87 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3i5a n LEU 88 N -1.35 0.00 0.00 2.45 4.77 -1.26 -3.42 117.00 118.19 3i5a n LEU 88 Ca 0.08 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3i5a n LEU 88 Cb 0.19 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 3i5a n LEU 88 CO 0.17 -0.06 -0.04 0.35 -1.33 0.00 0.00 177.39 176.47 3i5a n THR 89 N -1.30 0.00 -0.15 -5.08 -2.24 -0.91 -4.88 114.28 99.72 3i5a n THR 89 Ca 0.11 -0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.98 3i5a n THR 89 Cb 0.20 0.34 0.21 0.00 -2.10 0.00 0.00 70.33 68.98 3i5a n THR 89 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3i5a n ARG 90 N -0.17 -0.03 -0.08 -0.78 3.00 0.41 0.14 116.66 119.14 3i5a n ARG 90 Ca 0.00 0.67 0.12 0.00 -0.00 0.00 0.00 57.85 58.63 3i5a n ARG 90 Cb 0.00 -1.13 0.14 0.00 0.00 0.00 0.00 32.46 31.48 3i5a n ARG 90 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3i5a n ASP 91 N -4.27 3.15 -4.71 6.15 8.00 -1.26 -4.73 116.55 118.87 3i5a n ASP 91 Ca 0.14 -1.97 -0.42 0.00 0.71 0.00 0.00 54.79 53.25 3i5a n ASP 91 Cb 0.48 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.45 3i5a n ASP 91 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3i5a s ILE 92 N -1.74 4.77 0.26 0.53 1.01 0.12 -4.90 121.20 121.25 3i5a s ILE 92 Ca 0.32 1.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.66 3i5a s ILE 92 Cb 0.21 -4.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.30 3i5a s ILE 92 CO 0.30 0.15 1.41 -2.84 0.00 0.00 0.00 174.94 173.96 3i5a s PRO 93 N 1.06 4.29 -0.23 2.79 0.02 -1.26 -4.88 135.00 136.78 3i5a s PRO 93 Ca 0.53 2.28 0.02 0.00 0.02 0.00 0.00 61.00 63.84 3i5a s PRO 93 Cb -0.22 -3.11 0.04 0.00 0.02 0.00 0.00 34.50 31.23 3i5a s PRO 93 CO 0.28 -0.38 -0.14 0.42 -0.33 0.00 0.00 177.00 176.85 3i5a s ILE 94 N -0.16 2.21 -0.30 2.83 1.01 -1.26 -1.66 121.20 123.86 3i5a s ILE 94 Ca 0.58 -1.29 -0.15 0.00 0.00 0.00 0.00 60.65 59.79 3i5a s ILE 94 Cb -0.41 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.90 3i5a s ILE 94 CO 0.44 0.23 0.36 -0.63 0.00 0.00 0.00 174.94 175.34 3i5a s ILE 95 N 1.20 5.18 -0.04 2.92 1.01 -0.39 -0.32 121.20 130.76 3i5a s ILE 95 Ca -0.02 0.31 -0.25 0.00 0.00 0.00 0.00 60.65 60.69 3i5a s ILE 95 Cb -0.17 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 3i5a s ILE 95 CO -0.08 0.05 0.76 0.68 0.00 0.00 0.00 174.94 176.35 3i5a s VAL 96 N 2.04 4.96 -0.34 2.92 -7.23 -0.47 -0.64 120.40 121.64 3i5a s VAL 96 Ca 0.13 1.59 -0.13 0.00 -1.81 0.00 0.00 61.98 61.76 3i5a s VAL 96 Cb -0.16 -4.10 -0.02 0.00 0.56 0.00 0.00 36.38 32.66 3i5a s VAL 96 CO 0.11 0.25 0.26 -0.76 -0.31 0.00 0.00 175.10 174.65 3i5a s LEU 97 N 0.70 4.53 0.34 1.32 1.02 0.34 0.47 118.68 127.40 3i5a s LEU 97 Ca 0.40 -0.42 0.09 0.00 0.02 0.00 0.00 54.13 54.22 3i5a s LEU 97 Cb -0.19 -2.16 -0.06 0.00 0.02 0.00 0.00 46.19 43.80 3i5a s LEU 97 CO 0.21 -0.25 -0.07 -0.55 0.02 0.00 0.00 176.35 175.70 3i5a s SER 98 N 1.72 3.52 -0.26 2.29 0.15 0.11 -2.43 113.70 118.81 3i5a s SER 98 Ca 0.07 -1.22 -0.03 0.00 0.70 0.00 0.00 55.95 55.47 3i5a s SER 98 Cb -0.17 -0.31 0.11 0.00 -1.71 0.00 0.00 66.02 63.93 3i5a s SER 98 CO 0.11 -0.27 0.22 0.28 1.20 0.00 0.00 173.24 174.78 3i5a s THR 99 N -2.72 -0.27 0.00 6.45 -1.32 -1.26 -2.62 115.64 113.90 3i5a s THR 99 Ca 0.32 -0.45 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 3i5a s THR 99 Cb 0.04 -0.88 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 3i5a s THR 99 CO 0.16 -0.46 0.00 0.29 -2.21 0.00 0.00 174.62 172.39 3i5a n LYS 100 N 5.29 0.00 -0.06 7.08 4.76 -1.26 -4.97 118.16 129.01 3i5a n LYS 100 Ca -0.04 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 3i5a n LYS 100 Cb 0.46 -0.02 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 3i5a n LYS 100 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3i5a n GLU 101 N -1.36 0.00 -0.02 1.97 1.02 -1.26 -4.76 120.64 116.22 3i5a n GLU 101 Ca 0.00 -0.45 -0.01 0.00 -0.02 0.00 0.00 57.16 56.68 3i5a n GLU 101 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 31.44 31.02 3i5a n GLU 101 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3i5a n ASP 102 N 0.00 -0.11 0.00 1.62 3.85 -1.26 -4.80 116.55 115.85 3i5a n ASP 102 Ca 0.00 0.01 0.00 0.00 -0.71 0.00 0.00 54.79 54.09 3i5a n ASP 102 Cb 0.52 -0.02 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 3i5a n ASP 102 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 3i5a n PRO 103 N 0.04 0.00 0.32 0.11 -0.02 -1.26 -3.37 135.00 130.83 3i5a n PRO 103 Ca 0.00 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.66 3i5a n PRO 103 Cb 0.01 -0.51 0.97 0.00 -0.02 0.00 0.00 33.50 33.95 3i5a n PRO 103 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3i5a h LEU 104 N 0.00 0.00 -0.05 2.45 4.07 -1.98 -1.17 115.31 118.64 3i5a h LEU 104 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 3i5a h LEU 104 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3i5a h LEU 104 CO 0.00 0.00 -0.35 0.40 -1.08 0.00 0.00 178.44 177.41 3i5a h ILE 105 N 0.00 0.61 0.16 1.22 2.04 -1.94 2.40 117.51 122.00 3i5a h ILE 105 Ca 0.00 -1.84 -0.26 0.00 1.00 0.00 0.00 64.86 63.76 3i5a h ILE 105 Cb 0.35 2.28 0.02 0.00 -0.74 0.00 0.00 36.82 38.73 3i5a h ILE 105 CO 0.00 0.34 -1.22 0.50 0.00 0.00 0.00 178.15 177.78 3i5a h LYS 106 N 0.00 0.34 -0.42 2.37 3.64 -1.23 -2.37 116.57 118.90 3i5a h LYS 106 Ca -0.00 -0.58 -0.10 0.00 -1.27 0.00 0.00 60.65 58.69 3i5a h LYS 106 Cb 1.25 0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 33.27 3i5a h LYS 106 CO 0.05 1.28 -0.16 0.66 -2.27 0.00 0.00 179.45 179.01 3i5a h SER 107 N -0.21 0.79 -0.31 4.20 4.64 -1.30 -2.91 113.55 118.45 3i5a h SER 107 Ca -0.23 -0.26 -0.09 0.00 -0.47 0.00 0.00 61.79 60.74 3i5a h SER 107 Cb 1.82 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.69 3i5a h SER 107 CO 0.15 0.95 -0.14 0.00 -0.87 0.00 0.00 176.83 176.92 3i5a h ALA 108 N 1.11 0.44 -0.83 5.18 0.00 0.39 -1.27 119.26 124.28 3i5a h ALA 108 Ca 0.11 -0.33 0.11 0.00 0.00 0.00 0.00 54.91 54.80 3i5a h ALA 108 Cb 0.66 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.22 3i5a h ALA 108 CO 0.05 0.33 -0.40 0.00 0.00 0.00 0.00 179.25 179.23 3i5a n ALA 109 N -2.44 -0.29 -0.05 0.00 0.00 -0.89 0.88 120.51 117.71 3i5a n ALA 109 Ca -0.03 0.78 -0.16 0.00 0.00 0.00 0.00 53.44 54.03 3i5a n ALA 109 Cb 0.37 -0.26 -0.05 0.00 0.00 0.00 0.00 19.45 19.51 3i5a n ALA 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 3i5a h PHE 110 N 0.00 1.09 -0.17 0.00 -1.00 -1.53 0.39 116.94 115.71 3i5a h PHE 110 Ca 0.22 -0.43 0.05 0.00 2.81 0.00 0.00 57.97 60.62 3i5a h PHE 110 Cb 0.43 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 3i5a h PHE 110 CO -0.79 1.26 0.12 0.00 -1.61 0.00 0.00 178.31 177.29 3i5a h ALA 111 N 0.64 2.14 -0.00 2.45 0.00 0.21 -1.10 119.26 123.59 3i5a h ALA 111 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i5a h ALA 111 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i5a h ALA 111 CO 0.14 -0.18 -0.40 0.00 0.00 0.00 0.00 179.25 178.80 3i5a n ALA 112 N -2.57 3.34 0.00 0.00 0.00 0.25 -4.93 120.51 116.61 3i5a n ALA 112 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3i5a n ALA 112 Cb 0.24 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3i5a n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5a n GLY 113 N 1.46 1.70 3.40 0.00 0.00 -0.42 -4.26 105.19 107.08 3i5a n GLY 113 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3i5a n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5a n ALA 114 N -0.17 -1.80 0.28 4.61 0.00 0.13 -4.78 120.51 118.78 3i5a n ALA 114 Ca 0.00 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.36 3i5a n ALA 114 Cb 0.00 -1.72 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 3i5a n ALA 114 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i5a n ASN 115 N 0.83 0.67 -3.74 0.00 4.13 0.56 -4.33 115.26 113.39 3i5a n ASN 115 Ca 0.10 -0.84 -0.09 0.00 1.68 0.00 0.00 54.58 55.43 3i5a n ASN 115 Cb 0.48 0.69 -0.04 0.00 -1.54 0.00 0.00 39.78 39.38 3i5a n ASN 115 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 3i5a s ASP 116 N -1.24 -0.27 -0.28 6.41 1.01 -1.12 -4.97 116.67 116.20 3i5a s ASP 116 Ca 0.04 -0.48 -0.01 0.00 0.71 0.00 0.00 52.55 52.81 3i5a s ASP 116 Cb 0.05 0.59 0.13 0.00 1.01 0.00 0.00 42.92 44.70 3i5a s ASP 116 CO 0.19 -1.08 0.26 -0.47 0.21 0.00 0.00 175.17 174.29 3i5a s TYR 117 N -3.88 -0.33 0.11 4.23 5.04 -1.26 -1.37 117.35 119.90 3i5a s TYR 117 Ca 0.09 -0.21 0.08 0.00 -2.44 0.00 0.00 57.07 54.59 3i5a s TYR 117 Cb -0.01 -0.50 -0.04 0.00 0.35 0.00 0.00 41.96 41.75 3i5a s TYR 117 CO -0.02 -0.87 -0.11 -0.51 -1.34 0.00 0.00 175.55 172.70 3i5a s LEU 118 N 2.32 2.97 -0.28 6.97 2.01 0.18 -4.96 118.68 127.89 3i5a s LEU 118 Ca 0.09 -0.44 -0.16 0.00 0.01 0.00 0.00 54.13 53.63 3i5a s LEU 118 Cb -0.14 -1.76 -0.03 0.00 0.01 0.00 0.00 46.19 44.26 3i5a s LEU 118 CO -0.31 0.17 0.42 -0.69 1.01 0.00 0.00 176.35 176.95 3i5a s VAL 119 N -1.25 5.13 -0.22 -1.59 1.01 -1.26 0.09 120.40 122.31 3i5a s VAL 119 Ca 0.21 0.61 -0.28 0.00 0.00 0.00 0.00 61.98 62.51 3i5a s VAL 119 Cb -0.11 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3i5a s VAL 119 CO 0.13 0.10 2.04 -0.54 0.00 0.00 0.00 175.10 176.82 3i5a s LYS 120 N 2.16 3.34 0.01 2.72 1.02 -1.08 -3.13 119.74 124.78 3i5a s LYS 120 Ca 0.17 1.90 -0.02 0.00 0.02 0.00 0.00 55.97 58.04 3i5a s LYS 120 Cb -0.16 -4.28 -0.01 0.00 -0.52 0.00 0.00 37.83 32.86 3i5a s LYS 120 CO 0.10 -1.86 0.03 -0.51 -0.92 0.00 0.00 175.35 172.19 3i5a s LEU 121 N 7.30 1.99 1.30 3.17 1.43 -1.26 -5.04 118.68 127.57 3i5a s LEU 121 Ca 0.92 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 53.47 3i5a s LEU 121 Cb -0.31 0.27 0.32 0.00 0.03 0.00 0.00 46.19 46.50 3i5a s LEU 121 CO 0.35 -0.28 1.04 -2.16 0.23 0.00 0.00 176.35 175.53 3i5a s PRO 122 N -1.22 -1.98 0.88 1.29 0.04 -1.18 -4.99 135.00 127.83 3i5a s PRO 122 Ca -0.13 -0.01 -0.12 0.00 0.04 0.00 0.00 61.00 60.78 3i5a s PRO 122 Cb -0.08 -1.50 0.12 0.00 0.04 0.00 0.00 34.50 33.08 3i5a s PRO 122 CO -0.00 -4.22 1.09 -0.51 0.04 0.00 0.00 177.00 173.40 3i5a s ASP 123 N -3.61 3.64 0.00 6.66 1.01 -1.26 -4.75 116.67 118.36 3i5a s ASP 123 Ca 0.70 1.41 0.00 0.00 0.71 0.00 0.00 52.55 55.38 3i5a s ASP 123 Cb -0.11 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.72 3i5a s ASP 123 CO 0.57 -2.52 0.52 0.59 0.21 0.00 0.00 175.17 174.53 3i5a n ASN 124 N -3.80 0.02 -0.09 0.27 3.02 -1.26 -1.66 115.26 111.76 3i5a n ASN 124 Ca 0.07 -1.06 -0.10 0.00 -0.03 0.00 0.00 54.58 53.46 3i5a n ASN 124 Cb 0.56 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.68 3i5a n ASN 124 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3i5a n ILE 125 N -0.47 1.48 0.23 2.41 -0.00 -1.26 -3.73 119.36 118.02 3i5a n ILE 125 Ca 0.00 0.11 0.07 0.00 -0.00 0.00 0.00 62.75 62.93 3i5a n ILE 125 Cb 0.01 -2.31 0.56 0.00 -0.00 0.00 0.00 39.64 37.90 3i5a n ILE 125 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.55 176.47 3i5a h GLU 126 N -1.00 0.00 -0.27 0.38 4.81 -1.88 0.11 114.58 116.73 3i5a h GLU 126 Ca -0.08 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.09 3i5a h GLU 126 Cb 0.92 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.29 3i5a h GLU 126 CO -0.05 0.15 -0.05 1.25 -0.73 0.00 0.00 179.01 179.58 3i5a h LEU 127 N 0.00 0.52 -0.18 1.64 5.85 -1.52 -0.31 115.31 121.31 3i5a h LEU 127 Ca -0.00 -0.36 -0.14 0.00 0.84 0.00 0.00 57.88 58.22 3i5a h LEU 127 Cb 0.28 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.18 3i5a h LEU 127 CO 0.02 0.75 -0.45 -0.37 -0.34 0.00 0.00 178.44 178.05 3i5a h VAL 128 N 0.27 1.33 -0.03 1.05 -1.51 -1.58 -2.23 116.25 113.55 3i5a h VAL 128 Ca 0.07 -1.69 0.01 0.00 -1.23 0.00 0.00 66.70 63.86 3i5a h VAL 128 Cb 0.52 1.92 -0.03 0.00 -2.13 0.00 0.00 31.29 31.57 3i5a h VAL 128 CO 0.02 0.52 -0.27 0.00 -1.23 0.00 0.00 177.57 176.62 3i5a h ALA 129 N 0.58 -0.69 -0.68 5.19 0.00 -0.72 0.81 119.26 123.74 3i5a h ALA 129 Ca -0.00 -0.04 0.15 0.00 0.00 0.00 0.00 54.91 55.01 3i5a h ALA 129 Cb 1.06 0.75 -0.11 0.00 0.00 0.00 0.00 17.79 19.50 3i5a h ALA 129 CO 0.10 -0.78 0.08 0.00 0.00 0.00 0.00 179.25 178.65 3i5a h ARG 130 N -0.31 0.18 0.11 0.00 2.47 -1.14 0.73 114.38 116.42 3i5a h ARG 130 Ca 0.01 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 3i5a h ARG 130 Cb 0.35 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.63 3i5a h ARG 130 CO -0.19 0.12 -0.05 0.82 0.56 0.00 0.00 179.97 181.22 3i5a h ILE 131 N 0.19 0.94 -0.86 2.04 2.04 -0.96 -2.58 117.51 118.32 3i5a h ILE 131 Ca 0.37 -0.18 0.15 0.00 1.00 0.00 0.00 64.86 66.20 3i5a h ILE 131 Cb 0.62 1.06 -0.10 0.00 -0.74 0.00 0.00 36.82 37.66 3i5a h ILE 131 CO -0.53 0.04 0.44 -0.09 0.00 0.00 0.00 178.15 178.01 3i5a h ARG 132 N -0.23 0.59 0.64 2.37 9.65 0.18 -0.57 114.38 127.00 3i5a h ARG 132 Ca -0.01 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.80 3i5a h ARG 132 Cb 0.18 -0.13 0.01 0.00 -1.39 0.00 0.00 29.97 28.64 3i5a h ARG 132 CO 0.02 0.39 -0.31 -0.92 2.80 0.00 0.00 179.97 181.96 3i5a h TYR 133 N 0.60 -0.79 -0.75 2.20 3.20 -0.74 -1.32 116.97 119.38 3i5a h TYR 133 Ca 0.47 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.37 3i5a h TYR 133 Cb 0.69 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 39.18 3i5a h TYR 133 CO -0.09 -0.49 0.46 0.45 -1.64 0.00 0.00 178.16 176.85 3i5a h HIS 134 N -1.23 0.86 0.34 -3.82 3.86 -1.40 -0.87 115.15 112.89 3i5a h HIS 134 Ca -0.09 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3i5a h HIS 134 Cb 0.66 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 3i5a h HIS 134 CO 0.00 0.47 -0.32 1.03 0.86 0.00 0.00 177.93 179.97 3i5a h SER 135 N 0.89 -0.87 -0.25 2.45 0.87 -1.16 -1.56 113.55 113.92 3i5a h SER 135 Ca 0.31 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.94 3i5a h SER 135 Cb 0.07 0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3i5a h SER 135 CO -0.13 -0.46 0.15 -0.09 -0.53 0.00 0.00 176.83 175.77 3i5a h ARG 136 N -0.68 0.37 0.16 2.24 2.43 -0.84 0.04 114.38 118.09 3i5a h ARG 136 Ca -0.02 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3i5a h ARG 136 Cb 0.62 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 3i5a h ARG 136 CO -0.05 0.27 -0.08 0.66 -1.51 0.00 0.00 179.97 179.26 3i5a h SER 137 N 0.38 -0.18 -0.53 -3.80 4.64 -0.82 -2.27 113.55 110.96 3i5a h SER 137 Ca 0.10 -0.26 0.11 0.00 -0.47 0.00 0.00 61.79 61.26 3i5a h SER 137 Cb 0.01 0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 62.05 3i5a h SER 137 CO -0.02 0.18 -0.05 0.22 -0.87 0.00 0.00 176.83 176.30 3i5a h TYR 138 N -0.57 -0.12 -0.54 4.77 3.20 -0.61 0.14 116.97 123.23 3i5a h TYR 138 Ca -0.02 0.04 0.10 0.00 3.14 0.00 0.00 58.73 61.99 3i5a h TYR 138 Cb 0.44 0.14 -0.11 0.00 1.54 0.00 0.00 36.73 38.73 3i5a h TYR 138 CO 0.04 -0.17 -0.32 0.52 -1.64 0.00 0.00 178.16 176.59 3i5a h MET 139 N 0.07 -0.17 0.00 1.82 2.86 -0.89 0.15 114.93 118.78 3i5a h MET 139 Ca 0.27 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3i5a h MET 139 Cb 0.41 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3i5a h MET 139 CO -0.49 -0.11 0.00 1.79 1.06 0.00 0.00 176.91 179.16 3i5a h THR 140 N -0.18 0.00 -0.40 2.22 1.35 -0.67 -1.07 112.91 114.16 3i5a h THR 140 Ca 0.22 -0.62 -0.06 0.00 -0.55 0.00 0.00 66.41 65.40 3i5a h THR 140 Cb 0.54 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 3i5a h THR 140 CO -0.64 0.00 0.01 0.25 -0.25 0.00 0.00 175.52 174.89 3i5a h LEU 141 N 0.00 0.69 -0.64 3.87 5.85 0.18 -1.36 115.31 123.89 3i5a h LEU 141 Ca 0.00 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.43 3i5a h LEU 141 Cb 0.65 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3i5a h LEU 141 CO 0.00 0.82 0.41 -0.07 -0.34 0.00 0.00 178.44 179.27 3i5a h LEU 142 N 0.53 0.71 -0.38 2.25 3.38 0.00 -2.52 115.31 119.28 3i5a h LEU 142 Ca 0.11 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 3i5a h LEU 142 Cb 0.46 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3i5a h LEU 142 CO 0.02 0.50 0.08 1.56 0.09 0.00 0.00 178.44 180.69 3i5a h GLN 143 N 0.84 0.62 -0.64 1.13 4.20 -1.09 0.72 115.11 120.90 3i5a h GLN 143 Ca 0.24 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3i5a h GLN 143 Cb -0.06 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 3i5a h GLN 143 CO -0.07 0.67 0.37 -0.09 -0.67 0.00 0.00 178.83 179.04 3i5a h ARG 144 N 0.47 0.87 -0.21 1.46 2.43 -1.20 0.19 114.38 118.39 3i5a h ARG 144 Ca 0.12 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3i5a h ARG 144 Cb 0.33 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 3i5a h ARG 144 CO 0.00 0.64 0.07 -0.44 -1.51 0.00 0.00 179.97 178.73 3i5a h ASP 145 N 0.86 0.31 -0.59 -3.80 3.32 -1.18 0.40 116.42 115.74 3i5a h ASP 145 Ca 0.23 -0.20 0.11 0.00 0.02 0.00 0.00 57.03 57.18 3i5a h ASP 145 Cb 0.00 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 39.39 3i5a h ASP 145 CO -0.04 0.43 0.15 -0.33 -1.72 0.00 0.00 179.24 177.73 3i5a h GLU 146 N 0.17 0.28 -0.57 3.56 5.08 -0.55 -1.94 114.58 120.62 3i5a h GLU 146 Ca 0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3i5a h GLU 146 Cb 0.23 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3i5a h GLU 146 CO -0.00 0.18 0.26 0.00 -1.00 0.00 0.00 179.01 178.45 3i5a h ALA 147 N 1.46 0.73 -0.62 3.43 0.00 -0.23 -1.77 119.26 122.26 3i5a h ALA 147 Ca 0.31 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 55.19 3i5a h ALA 147 Cb 0.44 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 3i5a h ALA 147 CO -0.38 0.30 0.20 1.88 0.00 0.00 0.00 179.25 181.26 3i5a h TYR 148 N 0.77 0.35 0.83 0.00 0.99 -0.28 0.22 116.97 119.85 3i5a h TYR 148 Ca 0.19 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.92 3i5a h TYR 148 Cb 0.14 -0.06 0.00 0.00 1.00 0.00 0.00 36.73 37.81 3i5a h TYR 148 CO -0.00 0.05 -0.47 0.00 -0.00 0.00 0.00 178.16 177.74 3i5a h ARG 149 N 0.36 -1.16 -0.96 4.88 3.08 -0.96 -1.22 114.38 118.40 3i5a h ARG 149 Ca 0.32 0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.54 3i5a h ARG 149 Cb 0.44 0.26 -0.07 0.00 0.08 0.00 0.00 29.97 30.68 3i5a h ARG 149 CO -0.35 -0.78 0.62 0.00 -1.07 0.00 0.00 179.97 178.39 3i5a h ALA 150 N -1.27 1.52 -0.57 0.04 0.00 -0.90 -0.51 119.26 117.57 3i5a h ALA 150 Ca -0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3i5a h ALA 150 Cb 0.95 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3i5a h ALA 150 CO 0.14 0.30 0.02 1.25 0.00 0.00 0.00 179.25 180.96 3i5a h LEU 151 N 1.03 0.97 -1.12 0.00 5.85 -0.55 -1.41 115.31 120.08 3i5a h LEU 151 Ca 0.44 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3i5a h LEU 151 Cb 0.33 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3i5a h LEU 151 CO -0.20 1.03 0.37 -0.09 -0.34 0.00 0.00 178.44 179.21 3i5a h ARG 152 N 0.89 0.98 0.48 1.25 2.43 0.13 0.11 114.38 120.65 3i5a h ARG 152 Ca 0.17 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3i5a h ARG 152 Cb 0.52 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3i5a h ARG 152 CO 0.03 0.73 -0.23 0.28 -1.51 0.00 0.00 179.97 179.27 3i5a h VAL 153 N 0.98 0.00 -0.72 0.20 2.07 -0.99 -2.11 116.25 115.67 3i5a h VAL 153 Ca 0.25 -0.10 0.16 0.00 0.82 0.00 0.00 66.70 67.83 3i5a h VAL 153 Cb 0.05 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.70 3i5a h VAL 153 CO -0.04 0.00 0.07 0.28 0.02 0.00 0.00 177.57 177.90 3i5a h SER 154 N -0.75 -0.20 -0.35 0.57 0.02 -1.12 0.50 113.55 112.22 3i5a h SER 154 Ca -0.07 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3i5a h SER 154 Cb 0.50 0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 3i5a h SER 154 CO 0.11 -0.12 0.18 1.56 -1.14 0.00 0.00 176.83 177.42 3i5a h GLN 155 N 0.16 0.54 -0.01 3.45 1.08 -0.81 -0.58 115.11 118.94 3i5a h GLN 155 Ca 0.40 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 3i5a h GLN 155 Cb 0.70 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 3i5a h GLN 155 CO -0.59 0.43 -0.17 1.04 -0.95 0.00 0.00 178.83 178.59 3i5a n GLN 156 N -4.41 0.88 0.02 1.46 3.00 -0.02 -0.86 117.38 117.44 3i5a n GLN 156 Ca 0.03 -0.44 -0.22 0.00 -0.01 0.00 0.00 57.00 56.36 3i5a n GLN 156 Cb 0.12 -1.49 -0.14 0.00 0.00 0.00 0.00 30.24 28.73 3i5a n GLN 156 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 3i5a h GLN 157 N 1.08 0.26 0.00 -1.09 5.75 0.23 -3.26 115.11 118.09 3i5a h GLN 157 Ca 0.00 -0.45 -0.05 0.00 -0.15 0.00 0.00 58.65 58.00 3i5a h GLN 157 Cb 0.44 0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 3i5a h GLN 157 CO 0.00 1.21 -0.25 1.25 -2.65 0.00 0.00 178.83 178.40 3i5a h LEU 158 N -0.26 0.00 -0.02 -2.39 5.85 -1.16 -1.13 115.31 116.20 3i5a h LEU 158 Ca -0.30 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.43 3i5a h LEU 158 Cb 1.79 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.80 3i5a h LEU 158 CO 0.08 0.25 -0.18 0.25 -0.34 0.00 0.00 178.44 178.49 3i5a h LEU 159 N 0.00 -0.58 -0.41 2.25 6.46 -1.07 -1.50 115.31 120.47 3i5a h LEU 159 Ca -0.00 0.07 -0.18 0.00 -0.12 0.00 0.00 57.88 57.64 3i5a h LEU 159 Cb 0.61 0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.76 3i5a h LEU 159 CO 0.03 -0.17 -0.73 -0.78 -0.62 0.00 0.00 178.44 176.17 3i5a h ASP 160 N -0.22 0.48 -0.95 1.25 -0.00 -1.58 -2.79 116.42 112.61 3i5a h ASP 160 Ca 0.01 -0.31 0.20 0.00 -0.00 0.00 0.00 57.03 56.92 3i5a h ASP 160 Cb 0.24 -0.14 -0.08 0.00 -0.00 0.00 0.00 39.33 39.35 3i5a h ASP 160 CO -0.13 1.05 0.61 0.74 -0.00 0.00 0.00 179.24 181.51 3i5a h THR 161 N 0.27 0.69 -0.14 2.25 2.02 -1.16 -1.34 112.91 115.50 3i5a h THR 161 Ca -0.03 -0.18 -0.22 0.00 0.77 0.00 0.00 66.41 66.75 3i5a h THR 161 Cb 1.30 0.10 0.01 0.00 -1.74 0.00 0.00 68.15 67.82 3i5a h THR 161 CO 0.12 0.10 -0.77 0.78 0.37 0.00 0.00 175.52 176.13 3i5a h ASN 162 N 0.54 0.86 0.72 4.18 -0.26 -0.99 -2.98 115.58 117.65 3i5a h ASN 162 Ca 0.51 -0.56 -0.03 0.00 -0.56 0.00 0.00 56.30 55.66 3i5a h ASN 162 Cb 1.09 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 38.08 3i5a h ASN 162 CO -0.25 1.35 -0.50 -0.07 -1.06 0.00 0.00 177.43 176.90 3i5a h LEU 163 N 0.50 -1.31 -0.06 1.61 3.38 -1.19 -2.72 115.31 115.51 3i5a h LEU 163 Ca -0.05 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3i5a h LEU 163 Cb 1.39 0.40 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 3i5a h LEU 163 CO 0.15 -0.74 -0.17 0.58 0.09 0.00 0.00 178.44 178.36 3i5a h VAL 164 N -1.17 0.00 -0.00 1.22 2.07 -1.43 0.78 116.25 117.72 3i5a h VAL 164 Ca -0.10 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3i5a h VAL 164 Cb 0.95 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 3i5a h VAL 164 CO 0.06 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.68 3i5a h LEU 165 N -0.16 0.00 0.00 2.57 3.38 -1.62 -1.98 115.31 117.50 3i5a h LEU 165 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3i5a h LEU 165 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i5a h LEU 165 CO -0.15 0.00 -0.29 1.56 0.09 0.00 0.00 178.44 179.65 3i5a h GLN 166 N 0.00 0.00 0.00 1.13 1.08 -0.97 0.57 115.11 116.92 3i5a h GLN 166 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3i5a h GLN 166 Cb 0.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3i5a h GLN 166 CO -0.00 0.36 0.07 0.54 -0.95 0.00 0.00 178.83 178.84 3i5a n ARG 167 N -4.66 0.00 0.00 1.46 1.74 0.18 -2.85 116.66 112.53 3i5a n ARG 167 Ca -0.08 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 3i5a n ARG 167 Cb 0.26 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.14 3i5a n ARG 167 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3i5a n LEU 168 N -1.17 0.15 0.03 0.55 0.00 -0.77 -4.24 117.00 111.54 3i5a n LEU 168 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 56.01 55.85 3i5a n LEU 168 Cb 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.43 3i5a n LEU 168 CO 0.00 0.02 0.21 -0.03 0.00 0.00 0.00 177.39 177.60 3i5a h MET 169 N 0.00 0.61 -0.00 1.96 4.05 0.29 -3.36 114.93 118.48 3i5a h MET 169 Ca 0.00 -0.57 0.00 0.00 -0.28 0.00 0.00 59.70 58.85 3i5a h MET 169 Cb 0.50 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.44 3i5a h MET 169 CO 0.00 1.19 -0.17 0.09 0.23 0.00 0.00 176.91 178.25 3i5a n ASN 170 N -3.85 0.85 -4.37 1.39 5.03 -1.13 -4.74 115.26 108.43 3i5a n ASN 170 Ca -0.08 -0.92 -0.33 0.00 0.87 0.00 0.00 54.58 54.12 3i5a n ASN 170 Cb 0.80 0.58 -0.15 0.00 -1.02 0.00 0.00 39.78 39.99 3i5a n ASN 170 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3i5a s SER 171 N -1.17 3.77 -0.12 6.41 0.01 -1.26 -2.04 113.70 119.29 3i5a s SER 171 Ca 0.05 -0.34 -0.29 0.00 1.31 0.00 0.00 55.95 56.68 3i5a s SER 171 Cb 0.05 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.05 3i5a s SER 171 CO 0.19 0.24 1.24 -0.62 0.41 0.00 0.00 173.24 174.70 3i5a s ASP 172 N -0.09 6.98 0.18 2.44 -1.08 -0.12 -4.59 116.67 120.40 3i5a s ASP 172 Ca -0.03 1.74 -0.13 0.00 -0.52 0.00 0.00 52.55 53.61 3i5a s ASP 172 Cb -0.14 -2.55 0.10 0.00 -1.46 0.00 0.00 42.92 38.87 3i5a s ASP 172 CO 0.04 -0.70 1.83 1.23 0.52 0.00 0.00 175.17 178.09 3i5a h GLY 173 N 9.16 0.78 0.88 2.66 0.00 -1.89 0.73 103.07 115.40 3i5a h GLY 173 Ca -0.29 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 3i5a h GLY 173 CO 0.94 0.25 0.01 -2.00 0.00 0.00 0.00 176.54 175.74 3i5a h LEU 174 N 0.71 0.50 0.00 3.11 5.85 -1.96 -3.33 115.31 120.19 3i5a h LEU 174 Ca 0.21 -0.29 -0.29 0.00 0.84 0.00 0.00 57.88 58.35 3i5a h LEU 174 Cb -0.03 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 3i5a h LEU 174 CO -0.07 0.67 -2.17 0.35 -0.34 0.00 0.00 178.44 176.88 3i5a n THR 175 N -4.59 1.09 0.00 1.05 -2.24 -1.22 -4.84 114.28 103.53 3i5a n THR 175 Ca -0.03 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 3i5a n THR 175 Cb 0.24 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 3i5a n THR 175 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i5a n GLY 176 N 1.88 2.43 3.39 3.38 0.00 0.26 -4.89 105.19 111.64 3i5a n GLY 176 Ca -0.26 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 3i5a n GLY 176 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i5a n LEU 177 N 0.00 -2.07 -4.63 0.99 4.77 -1.26 -4.49 117.00 110.31 3i5a n LEU 177 Ca 0.00 -0.20 -0.31 0.00 -0.03 0.00 0.00 56.01 55.48 3i5a n LEU 177 Cb 0.00 -1.14 0.18 0.00 -2.33 0.00 0.00 43.42 40.13 3i5a n LEU 177 CO 0.00 -3.29 0.63 -1.20 -1.33 0.00 0.00 177.39 172.20 3i5a n SER 178 N -3.94 -0.04 -3.54 -1.43 7.64 -0.69 -0.94 113.62 110.67 3i5a n SER 178 Ca 0.02 0.33 -0.11 0.00 1.01 0.00 0.00 58.87 60.11 3i5a n SER 178 Cb 0.57 -1.44 0.05 0.00 -1.01 0.00 0.00 64.21 62.38 3i5a n SER 178 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3i5a n ASN 179 N -4.30 1.03 0.04 6.43 6.94 -0.87 -1.17 115.26 123.37 3i5a n ASN 179 Ca 0.10 -1.78 -0.13 0.00 -0.02 0.00 0.00 54.58 52.76 3i5a n ASN 179 Cb 0.52 -0.27 -0.09 0.00 -2.36 0.00 0.00 39.78 37.59 3i5a n ASN 179 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3i5a h ARG 180 N 0.00 -0.08 -0.21 -3.83 9.65 -1.85 -0.74 114.38 117.32 3i5a h ARG 180 Ca -0.16 0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.69 3i5a h ARG 180 Cb 0.68 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.26 3i5a h ARG 180 CO 0.21 0.20 -0.05 0.07 2.80 0.00 0.00 179.97 183.20 3i5a h ARG 181 N -0.37 0.31 -0.27 0.20 0.11 -1.92 0.46 114.38 112.90 3i5a h ARG 181 Ca -0.01 -0.06 -0.05 0.00 0.10 0.00 0.00 59.98 59.96 3i5a h ARG 181 Cb 0.32 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.34 3i5a h ARG 181 CO 0.01 0.38 -0.04 1.25 0.10 0.00 0.00 179.97 181.68 3i5a h HIS 182 N 0.30 0.57 0.26 4.08 2.76 -1.83 -1.52 115.15 119.77 3i5a h HIS 182 Ca 0.07 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.13 3i5a h HIS 182 Cb 0.29 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 29.07 3i5a h HIS 182 CO 0.01 0.70 -0.43 0.35 -1.30 0.00 0.00 177.93 177.25 3i5a h PHE 183 N 0.27 -1.20 -0.53 5.26 3.57 0.16 0.91 116.94 125.38 3i5a h PHE 183 Ca 0.07 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.70 3i5a h PHE 183 Cb 0.50 0.49 -0.08 0.00 2.79 0.00 0.00 35.95 39.65 3i5a h PHE 183 CO 0.05 -0.55 0.03 -0.44 -2.23 0.00 0.00 178.31 175.16 3i5a h ASP 184 N -0.76 -0.17 -0.14 0.41 3.32 -0.12 0.41 116.42 119.37 3i5a h ASP 184 Ca -0.01 0.12 -0.21 0.00 0.02 0.00 0.00 57.03 56.95 3i5a h ASP 184 Cb 0.73 0.20 0.01 0.00 0.22 0.00 0.00 39.33 40.49 3i5a h ASP 184 CO -0.17 -0.06 -0.73 -0.08 -1.72 0.00 0.00 179.24 176.49 3i5a h GLU 185 N 0.15 0.74 -0.39 3.56 4.81 -1.07 -2.28 114.58 120.10 3i5a h GLU 185 Ca 0.27 -0.61 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 3i5a h GLU 185 Cb 0.41 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3i5a h GLU 185 CO -0.42 1.22 0.13 -0.92 -0.73 0.00 0.00 179.01 178.29 3i5a h TYR 186 N 0.44 0.61 -0.31 0.92 3.20 0.15 -2.28 116.97 119.70 3i5a h TYR 186 Ca -0.05 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.70 3i5a h TYR 186 Cb 1.37 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.44 3i5a h TYR 186 CO 0.09 0.56 -0.08 1.25 -1.64 0.00 0.00 178.16 178.35 3i5a h LEU 187 N 0.48 0.48 -0.86 2.82 5.85 -0.23 -0.80 115.31 123.05 3i5a h LEU 187 Ca 0.13 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.67 3i5a h LEU 187 Cb 0.23 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3i5a h LEU 187 CO -0.01 0.61 0.12 -0.08 -0.34 0.00 0.00 178.44 178.74 3i5a h GLU 188 N 0.47 0.96 -0.14 1.25 4.57 -1.16 -0.38 114.58 120.16 3i5a h GLU 188 Ca 0.09 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 3i5a h GLU 188 Cb 0.43 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 3i5a h GLU 188 CO 0.02 0.88 0.01 1.25 -1.18 0.00 0.00 179.01 179.99 3i5a h LEU 189 N 0.91 0.23 -1.47 1.64 6.46 -0.81 -2.97 115.31 119.30 3i5a h LEU 189 Ca 0.19 -0.29 -0.06 0.00 -0.12 0.00 0.00 57.88 57.60 3i5a h LEU 189 Cb 0.37 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 3i5a h LEU 189 CO 0.01 0.46 -0.27 -0.33 -0.62 0.00 0.00 178.44 177.69 3i5a h GLU 190 N -0.01 0.00 0.03 1.25 4.39 -0.91 -1.35 114.58 117.98 3i5a h GLU 190 Ca 0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 3i5a h GLU 190 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3i5a h GLU 190 CO 0.01 0.27 -0.01 2.35 -1.16 0.00 0.00 179.01 180.46 3i5a h TRP 191 N 0.00 -0.04 -0.36 4.33 2.91 -0.97 0.79 115.95 122.61 3i5a h TRP 191 Ca -0.00 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 3i5a h TRP 191 Cb 0.51 0.01 -0.02 0.00 -0.51 0.00 0.00 29.16 29.15 3i5a h TRP 191 CO 0.00 -0.00 0.19 0.00 -1.03 0.00 0.00 178.44 177.60 3i5a h ARG 192 N -0.07 0.50 -0.63 2.65 3.08 -1.23 -0.91 114.38 117.77 3i5a h ARG 192 Ca -0.00 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.03 3i5a h ARG 192 Cb 0.06 -0.10 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 3i5a h ARG 192 CO 0.01 0.43 0.35 -0.09 -1.07 0.00 0.00 179.97 179.59 3i5a h ARG 193 N 0.44 0.64 -0.49 0.04 2.43 -1.18 -2.18 114.38 114.08 3i5a h ARG 193 Ca 0.12 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3i5a h ARG 193 Cb 0.08 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3i5a h ARG 193 CO -0.02 0.42 0.25 0.00 -1.51 0.00 0.00 179.97 179.12 3i5a h ALA 194 N 1.32 0.63 -0.18 2.80 0.00 -0.44 -2.38 119.26 121.01 3i5a h ALA 194 Ca 0.28 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3i5a h ALA 194 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3i5a h ALA 194 CO -0.16 0.17 -0.29 0.00 0.00 0.00 0.00 179.25 178.97 3i5a h THR 195 N 0.65 1.27 -0.54 0.00 1.03 -0.95 0.11 112.91 114.48 3i5a h THR 195 Ca 0.17 -1.27 -0.07 0.00 -0.01 0.00 0.00 66.41 65.23 3i5a h THR 195 Cb 0.08 1.45 -0.02 0.00 -1.07 0.00 0.00 68.15 68.60 3i5a h THR 195 CO -0.02 0.39 0.07 -0.09 -0.01 0.00 0.00 175.52 175.85 3i5a h ARG 196 N 0.30 0.87 -0.03 0.00 2.43 -1.13 -3.07 114.38 113.74 3i5a h ARG 196 Ca 0.04 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3i5a h ARG 196 Cb 0.67 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3i5a h ARG 196 CO 0.05 0.82 0.00 -0.25 -1.51 0.00 0.00 179.97 179.08 3i5a n ASP 197 N -4.23 1.98 -4.16 -3.80 8.00 -0.88 -4.93 116.55 108.52 3i5a n ASP 197 Ca 0.03 -1.66 -0.39 0.00 0.71 0.00 0.00 54.79 53.48 3i5a n ASP 197 Cb 0.27 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 3i5a n ASP 197 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i5a n GLN 198 N 0.55 -0.53 -4.07 -1.24 1.13 0.31 -4.93 117.38 108.60 3i5a n GLN 198 Ca 0.17 0.06 -0.22 0.00 -1.94 0.00 0.00 57.00 55.07 3i5a n GLN 198 Cb 0.43 -2.82 -0.04 0.00 0.11 0.00 0.00 30.24 27.93 3i5a n GLN 198 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3i5a s ALA 199 N -3.91 3.69 -0.40 -1.58 0.00 -0.70 -5.02 121.76 113.83 3i5a s ALA 199 Ca 0.28 -1.36 -0.24 0.00 0.00 0.00 0.00 51.96 50.63 3i5a s ALA 199 Cb -0.15 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.56 3i5a s ALA 199 CO 0.96 0.26 0.86 -0.65 0.00 0.00 0.00 175.76 177.18 3i5a s GLN 200 N -3.85 3.66 -0.28 0.00 -0.21 -1.26 -4.23 119.66 113.48 3i5a s GLN 200 Ca 0.33 0.27 -0.12 0.00 0.02 0.00 0.00 55.36 55.87 3i5a s GLN 200 Cb -0.08 -3.86 -0.05 0.00 1.00 0.00 0.00 33.01 30.02 3i5a s GLN 200 CO 0.26 -1.01 0.22 -1.17 -2.12 0.00 0.00 175.29 171.47 3i5a s LEU 201 N 3.39 4.04 0.19 2.90 2.96 0.67 -1.01 118.68 131.82 3i5a s LEU 201 Ca 0.34 0.02 0.08 0.00 -0.22 0.00 0.00 54.13 54.34 3i5a s LEU 201 Cb -0.12 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3i5a s LEU 201 CO 0.21 -0.08 0.00 -0.44 -1.32 0.00 0.00 176.35 174.72 3i5a s SER 202 N 1.74 4.76 -0.04 3.68 0.01 -0.78 0.33 113.70 123.40 3i5a s SER 202 Ca 0.08 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 3i5a s SER 202 Cb -0.16 -1.00 0.03 0.00 0.21 0.00 0.00 66.02 65.10 3i5a s SER 202 CO 0.11 0.07 0.09 -0.22 0.41 0.00 0.00 173.24 173.70 3i5a s LEU 203 N -3.07 1.12 -0.17 2.44 2.96 0.14 -0.95 118.68 121.14 3i5a s LEU 203 Ca 0.28 0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 54.31 3i5a s LEU 203 Cb -0.09 0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.77 3i5a s LEU 203 CO 0.19 -0.11 0.03 -0.76 -1.32 0.00 0.00 176.35 174.38 3i5a s LEU 204 N 0.81 3.64 -0.24 -0.68 1.02 -0.66 -2.28 118.68 120.29 3i5a s LEU 204 Ca -0.06 0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.08 3i5a s LEU 204 Cb -0.09 -1.91 0.01 0.00 0.02 0.00 0.00 46.19 44.23 3i5a s LEU 204 CO -0.03 0.17 -0.05 -0.32 0.02 0.00 0.00 176.35 176.14 3i5a s MET 205 N 0.37 3.03 -0.07 1.70 1.75 0.21 -1.76 119.30 124.52 3i5a s MET 205 Ca 0.01 -0.85 0.05 0.00 -1.25 0.00 0.00 55.69 53.65 3i5a s MET 205 Cb -0.13 -3.00 -0.00 0.00 2.84 0.00 0.00 34.83 34.54 3i5a s MET 205 CO 0.01 -0.33 -0.23 0.42 -0.65 0.00 0.00 175.02 174.24 3i5a s ILE 206 N 1.39 1.95 0.01 10.11 1.01 0.63 0.42 121.20 136.71 3i5a s ILE 206 Ca 0.02 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.71 3i5a s ILE 206 Cb -0.16 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 3i5a s ILE 206 CO -0.04 0.54 -0.07 -0.62 0.00 0.00 0.00 174.94 174.75 3i5a s ASP 207 N 0.09 0.83 -0.09 3.58 -1.08 -0.07 -0.21 116.67 119.71 3i5a s ASP 207 Ca -0.10 -0.26 -0.27 0.00 -0.52 0.00 0.00 52.55 51.41 3i5a s ASP 207 Cb -0.15 -0.05 -0.02 0.00 -1.46 0.00 0.00 42.92 41.23 3i5a s ASP 207 CO 0.06 -0.00 0.87 -0.69 0.52 0.00 0.00 175.17 175.92 3i5a s VAL 208 N -0.53 4.90 0.22 1.11 1.01 -1.20 -0.59 120.40 125.32 3i5a s VAL 208 Ca -0.01 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.43 3i5a s VAL 208 Cb -0.05 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 3i5a s VAL 208 CO 0.00 0.11 1.11 -1.81 0.00 0.00 0.00 175.10 174.51 3i5a s ASP 209 N 1.02 7.25 -1.24 3.32 1.01 -0.92 -3.78 116.67 123.33 3i5a s ASP 209 Ca 0.43 2.17 -0.00 0.00 0.71 0.00 0.00 52.55 55.86 3i5a s ASP 209 Cb -0.18 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.13 3i5a s ASP 209 CO 0.19 -0.20 0.87 -1.22 0.21 0.00 0.00 175.17 175.01 3i5a n TYR 210 N 1.95 -2.08 0.10 4.23 0.53 -1.26 -4.62 117.16 116.01 3i5a n TYR 210 Ca 0.01 0.89 -0.23 0.00 -1.02 0.00 0.00 57.90 57.55 3i5a n TYR 210 Cb 0.45 -4.74 -0.15 0.00 -1.03 0.00 0.00 39.34 33.87 3i5a n TYR 210 CO 0.00 0.00 0.00 0.35 -1.02 0.00 0.00 176.86 176.19 3i5a h PHE 211 N -1.86 0.81 -0.91 -0.72 3.57 -1.98 -2.44 116.94 113.41 3i5a h PHE 211 Ca -0.60 -0.59 0.07 0.00 3.53 0.00 0.00 57.97 60.37 3i5a h PHE 211 Cb 1.35 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.99 3i5a h PHE 211 CO 0.44 1.61 0.57 -0.22 -2.23 0.00 0.00 178.31 178.49 3i5a h LYS 212 N 0.12 1.01 -0.59 1.11 3.64 -1.91 0.40 116.57 120.35 3i5a h LYS 212 Ca -0.30 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 58.96 3i5a h LYS 212 Cb 2.12 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 33.69 3i5a h LYS 212 CO 0.22 0.67 0.15 0.00 -2.27 0.00 0.00 179.45 178.21 3i5a h ALA 213 N 1.43 1.16 -0.11 5.00 0.00 -1.96 -0.84 119.26 123.94 3i5a h ALA 213 Ca 0.40 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3i5a h ALA 213 Cb 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i5a h ALA 213 CO -0.18 0.57 -0.04 -0.92 0.00 0.00 0.00 179.25 178.69 3i5a h TYR 214 N 0.87 0.25 -0.33 0.00 3.20 -0.74 -3.23 116.97 116.99 3i5a h TYR 214 Ca 0.19 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 62.01 3i5a h TYR 214 Cb 0.30 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 3i5a h TYR 214 CO 0.02 0.55 0.22 -0.97 -1.64 0.00 0.00 178.16 176.33 3i5a h ASN 215 N -0.12 0.35 0.89 -2.11 -1.24 0.05 -2.54 115.58 110.87 3i5a h ASN 215 Ca 0.03 -0.01 -0.23 0.00 0.71 0.00 0.00 56.30 56.80 3i5a h ASN 215 Cb 0.47 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.41 3i5a h ASN 215 CO 0.01 0.25 -1.08 0.44 -1.29 0.00 0.00 177.43 175.77 3i5a h ASP 216 N 0.42 0.12 0.00 1.15 3.45 -1.18 -2.36 116.42 118.02 3i5a h ASP 216 Ca 0.12 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3i5a h ASP 216 Cb -0.00 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 3i5a h ASP 216 CO -0.03 1.10 -0.61 -0.46 -1.57 0.00 0.00 179.24 177.67 3i5a n ASN 217 N -3.40 0.62 -0.08 6.45 0.23 -1.21 -4.56 115.26 113.32 3i5a n ASN 217 Ca -0.03 -0.79 -0.05 0.00 -0.53 0.00 0.00 54.58 53.18 3i5a n ASN 217 Cb 0.97 1.01 -0.15 0.00 -2.08 0.00 0.00 39.78 39.52 3i5a n ASN 217 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 3i5a n PHE 218 N -1.31 0.00 0.00 -2.53 3.72 -0.96 -5.12 117.46 111.27 3i5a n PHE 218 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3i5a n PHE 218 Cb 0.20 -0.83 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 3i5a n PHE 218 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i5a n GLY 219 N 1.74 2.79 0.30 1.37 0.00 -0.89 -4.53 105.19 105.97 3i5a n GLY 219 Ca -0.25 -1.67 0.04 0.00 0.00 0.00 0.00 46.02 44.14 3i5a n GLY 219 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3i5a h HIS 220 N 0.00 0.44 -0.11 1.61 3.86 -1.93 -0.68 115.15 118.33 3i5a h HIS 220 Ca 0.00 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.15 3i5a h HIS 220 Cb 0.00 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.32 3i5a h HIS 220 CO 0.00 0.28 -0.21 -0.07 0.86 0.00 0.00 177.93 178.79 3i5a h LEU 221 N 0.47 0.39 -1.81 2.43 4.07 -1.93 -1.54 115.31 117.40 3i5a h LEU 221 Ca 0.13 -0.55 0.04 0.00 0.08 0.00 0.00 57.88 57.57 3i5a h LEU 221 Cb -0.05 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 3i5a h LEU 221 CO -0.03 0.86 0.20 -0.08 -1.08 0.00 0.00 178.44 178.32 3i5a h GLU 222 N -0.08 0.24 -0.18 1.13 4.57 -1.59 0.16 114.58 118.83 3i5a h GLU 222 Ca 0.01 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.00 3i5a h GLU 222 Cb 0.80 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 3i5a h GLU 222 CO 0.05 0.16 -0.60 0.78 -1.18 0.00 0.00 179.01 178.21 3i5a h GLY 223 N 0.25 0.66 0.96 1.92 0.00 -1.01 -0.85 103.07 105.00 3i5a h GLY 223 Ca 0.13 -0.81 -0.03 0.00 0.00 0.00 0.00 47.33 46.62 3i5a h GLY 223 CO -0.02 0.72 0.17 -0.55 0.00 0.00 0.00 176.54 176.86 3i5a h ASP 224 N 0.45 0.65 -0.48 0.19 3.32 0.13 0.21 116.42 120.88 3i5a h ASP 224 Ca -0.00 -0.18 -0.05 0.00 0.02 0.00 0.00 57.03 56.82 3i5a h ASP 224 Cb 1.17 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 3i5a h ASP 224 CO 0.12 0.66 0.13 -0.08 -1.72 0.00 0.00 179.24 178.35 3i5a h GLU 225 N 0.61 0.82 0.00 3.56 4.57 -0.74 0.69 114.58 124.09 3i5a h GLU 225 Ca 0.15 -0.16 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3i5a h GLU 225 Cb 0.22 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 3i5a h GLU 225 CO -0.01 0.73 -0.00 0.00 -1.18 0.00 0.00 179.01 178.55 3i5a h ALA 226 N 1.36 -0.01 -1.00 2.92 0.00 -0.67 -2.17 119.26 119.70 3i5a h ALA 226 Ca 0.17 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.17 3i5a h ALA 226 Cb 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.98 3i5a h ALA 226 CO -0.00 -0.44 0.61 -0.07 0.00 0.00 0.00 179.25 179.35 3i5a h LEU 227 N -0.14 0.84 0.64 0.00 4.07 -0.21 -1.99 115.31 118.52 3i5a h LEU 227 Ca -0.00 0.07 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 3i5a h LEU 227 Cb 0.14 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 3i5a h LEU 227 CO 0.00 0.37 -0.42 -0.09 -1.08 0.00 0.00 178.44 177.23 3i5a h ARG 228 N 0.87 -0.97 -0.91 1.13 2.43 -0.44 0.15 114.38 116.64 3i5a h ARG 228 Ca 0.53 0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.86 3i5a h ARG 228 Cb 0.69 0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.39 3i5a h ARG 228 CO -0.33 -0.65 0.56 1.96 -1.51 0.00 0.00 179.97 180.01 3i5a h GLN 229 N -1.01 0.94 -0.62 0.20 4.20 -1.02 -0.33 115.11 117.47 3i5a h GLN 229 Ca -0.08 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 3i5a h GLN 229 Cb 0.82 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 3i5a h GLN 229 CO 0.06 0.62 0.17 0.28 -0.67 0.00 0.00 178.83 179.29 3i5a h VAL 230 N 0.97 1.25 -0.58 -0.54 2.07 -1.20 -2.72 116.25 115.50 3i5a h VAL 230 Ca 0.42 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3i5a h VAL 230 Cb 0.30 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3i5a h VAL 230 CO -0.22 0.33 0.38 0.00 0.02 0.00 0.00 177.57 178.09 3i5a h ALA 231 N 1.06 1.73 -0.51 1.67 0.00 0.85 -2.03 119.26 122.03 3i5a h ALA 231 Ca 0.20 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3i5a h ALA 231 Cb 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3i5a h ALA 231 CO -0.00 0.20 -0.10 -0.22 0.00 0.00 0.00 179.25 179.13 3i5a h LYS 232 N 0.64 0.96 -0.65 0.00 3.64 -0.84 -2.18 116.57 118.15 3i5a h LYS 232 Ca 0.23 -0.36 -0.09 0.00 -1.27 0.00 0.00 60.65 59.17 3i5a h LYS 232 Cb 0.13 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 3i5a h LYS 232 CO -0.06 1.03 0.07 0.00 -2.27 0.00 0.00 179.45 178.21 3i5a h ALA 233 N 0.91 0.88 0.03 5.00 0.00 -1.11 -2.10 119.26 122.87 3i5a h ALA 233 Ca 0.13 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3i5a h ALA 233 Cb 0.66 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3i5a h ALA 233 CO 0.05 0.67 -0.06 0.82 0.00 0.00 0.00 179.25 180.73 3i5a h ILE 234 N 1.02 0.86 -0.30 0.00 2.04 -1.31 -1.92 117.51 117.90 3i5a h ILE 234 Ca 0.19 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.14 3i5a h ILE 234 Cb 0.49 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3i5a h ILE 234 CO 0.02 0.00 0.25 -0.09 0.00 0.00 0.00 178.15 178.33 3i5a h ARG 235 N -0.12 0.00 0.00 2.37 2.43 -1.08 -0.90 114.38 117.09 3i5a h ARG 235 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3i5a h ARG 235 Cb 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3i5a h ARG 235 CO -0.04 0.00 -0.60 -0.91 -1.51 0.00 0.00 179.97 176.91 3i5a h ASN 236 N 0.00 0.00 -0.03 -3.80 2.35 -0.69 -3.36 115.58 110.05 3i5a h ASN 236 Ca 0.14 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.63 3i5a h ASN 236 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3i5a h ASN 236 CO -0.00 0.10 -0.22 0.77 -1.65 0.00 0.00 177.43 176.42 3i5a h SER 237 N 0.00 0.25 -2.90 5.81 4.64 -0.45 -3.45 113.55 117.45 3i5a h SER 237 Ca 0.00 -0.69 -0.63 0.00 -0.47 0.00 0.00 61.79 60.00 3i5a h SER 237 Cb 0.75 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 62.70 3i5a h SER 237 CO 0.00 0.90 -0.34 0.00 -0.87 0.00 0.00 176.83 176.52 3i5a n SER 239 N 2.16 -0.14 -4.58 0.00 3.41 -1.26 -4.93 113.62 108.29 3i5a n SER 239 Ca -0.16 -2.12 -0.30 0.00 -0.26 0.00 0.00 58.87 56.02 3i5a n SER 239 Cb 0.53 0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.55 3i5a n SER 239 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i5a s ARG 240 N -1.50 2.21 0.45 4.33 0.52 -1.26 -5.01 118.95 118.68 3i5a s ARG 240 Ca 0.17 -0.97 0.30 0.00 -0.52 0.00 0.00 55.73 54.71 3i5a s ARG 240 Cb 0.38 -2.34 1.41 0.00 0.52 0.00 0.00 34.95 34.92 3i5a s ARG 240 CO -0.09 0.52 1.65 -1.35 0.02 0.00 0.00 175.30 176.05 3i5a h PRO 241 N 3.77 0.11 -0.01 3.54 0.11 -2.01 0.12 132.00 137.63 3i5a h PRO 241 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i5a h PRO 241 Cb 1.17 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3i5a h PRO 241 CO 0.53 0.07 -0.33 -1.13 -0.21 0.00 0.00 178.00 176.93 3i5a n SER 242 N -4.60 1.73 -4.73 -2.05 3.41 -1.26 -4.91 113.62 101.21 3i5a n SER 242 Ca 0.35 -1.36 -0.42 0.00 -0.26 0.00 0.00 58.87 57.18 3i5a n SER 242 Cb 1.39 0.44 -0.02 0.00 -0.26 0.00 0.00 64.21 65.76 3i5a n SER 242 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3i5a s ASP 243 N -1.94 6.49 -0.13 4.04 1.01 0.41 -4.46 116.67 122.09 3i5a s ASP 243 Ca 0.14 2.78 -0.01 0.00 0.71 0.00 0.00 52.55 56.17 3i5a s ASP 243 Cb 0.14 -2.61 0.04 0.00 1.01 0.00 0.00 42.92 41.49 3i5a s ASP 243 CO 0.41 -0.86 -0.01 -0.22 0.21 0.00 0.00 175.17 174.69 3i5a s LEU 244 N 0.38 1.04 -0.09 1.23 0.20 -0.34 -4.85 118.68 116.25 3i5a s LEU 244 Ca 0.67 -0.41 -0.14 0.00 0.69 0.00 0.00 54.13 54.94 3i5a s LEU 244 Cb -0.46 -0.64 -0.05 0.00 -0.43 0.00 0.00 46.19 44.61 3i5a s LEU 244 CO 0.39 -0.21 0.33 -2.16 -0.29 0.00 0.00 176.35 174.41 3i5a s PRO 245 N 1.83 4.04 0.02 0.98 0.05 -1.26 -0.27 135.00 140.39 3i5a s PRO 245 Ca 0.03 0.22 -0.02 0.00 0.05 0.00 0.00 61.00 61.27 3i5a s PRO 245 Cb -0.14 -3.32 -0.02 0.00 0.05 0.00 0.00 34.50 31.07 3i5a s PRO 245 CO -0.07 0.46 0.02 0.00 0.05 0.00 0.00 177.00 177.46 3i5a s ALA 246 N -0.25 0.06 -0.56 8.56 0.00 -0.01 -1.71 121.76 127.86 3i5a s ALA 246 Ca 0.20 -0.59 -0.24 0.00 0.00 0.00 0.00 51.96 51.33 3i5a s ALA 246 Cb -0.14 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.20 3i5a s ALA 246 CO 0.08 -0.22 0.95 0.50 0.00 0.00 0.00 175.76 177.07 3i5a s ARG 247 N -1.96 3.32 0.32 0.00 3.52 -0.31 0.18 118.95 124.01 3i5a s ARG 247 Ca -0.11 -0.30 0.08 0.00 -0.13 0.00 0.00 55.73 55.27 3i5a s ARG 247 Cb -0.06 -4.07 0.55 0.00 -1.56 0.00 0.00 34.95 29.81 3i5a s ARG 247 CO -0.02 -1.52 1.75 -0.92 -0.81 0.00 0.00 175.30 173.78 3i5a h TYR 248 N 9.34 0.22 0.00 5.12 5.03 -0.59 -3.22 116.97 132.86 3i5a h TYR 248 Ca -0.26 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.00 3i5a h TYR 248 Cb 1.07 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 39.30 3i5a h TYR 248 CO 0.92 0.54 0.00 0.41 -1.32 0.00 0.00 178.16 178.71 3i5a n GLY 249 N -0.32 -0.49 6.06 1.82 0.00 -0.83 -4.74 105.19 106.67 3i5a n GLY 249 Ca -0.01 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.66 3i5a n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i5a n GLY 250 N 0.00 1.66 0.08 -0.02 0.00 -1.26 -3.04 105.19 102.62 3i5a n GLY 250 Ca 0.00 -0.40 0.15 0.00 0.00 0.00 0.00 46.02 45.76 3i5a n GLY 250 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i5a n GLU 251 N 1.86 0.75 -3.57 1.61 0.28 -1.26 -4.83 120.64 115.48 3i5a n GLU 251 Ca 0.00 -0.17 -0.36 0.00 -0.16 0.00 0.00 57.16 56.47 3i5a n GLU 251 Cb 0.00 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.30 3i5a n GLU 251 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 3i5a s GLU 252 N -2.37 4.18 0.17 3.44 2.02 -1.17 -3.25 118.70 121.72 3i5a s GLU 252 Ca 0.33 0.08 0.11 0.00 0.02 0.00 0.00 54.97 55.51 3i5a s GLU 252 Cb 0.21 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.00 3i5a s GLU 252 CO 0.44 0.31 -0.21 -0.06 0.02 0.00 0.00 175.26 175.75 3i5a s PHE 253 N 0.26 2.39 0.32 1.61 0.08 0.71 0.11 117.98 123.46 3i5a s PHE 253 Ca 0.16 -0.33 0.03 0.00 0.12 0.00 0.00 56.93 56.92 3i5a s PHE 253 Cb -0.13 -1.21 -0.06 0.00 -0.57 0.00 0.00 43.02 41.05 3i5a s PHE 253 CO 0.04 0.46 0.06 0.00 -0.10 0.00 0.00 175.22 175.68 3i5a s ALA 254 N -1.51 2.29 -0.29 5.36 0.00 0.13 -0.27 121.76 127.46 3i5a s ALA 254 Ca 0.20 -2.04 0.02 0.00 0.00 0.00 0.00 51.96 50.14 3i5a s ALA 254 Cb -0.09 0.71 0.20 0.00 0.00 0.00 0.00 23.12 23.94 3i5a s ALA 254 CO 0.10 -0.33 0.67 1.41 0.00 0.00 0.00 175.76 177.61 3i5a s MET 255 N -3.91 0.49 -0.07 0.00 1.75 -0.72 -0.83 119.30 116.01 3i5a s MET 255 Ca 0.37 0.54 -0.27 0.00 -1.25 0.00 0.00 55.69 55.07 3i5a s MET 255 Cb 0.09 0.26 -0.03 0.00 2.84 0.00 0.00 34.83 37.99 3i5a s MET 255 CO 0.15 -0.87 0.87 0.54 -0.65 0.00 0.00 175.02 175.07 3i5a s VAL 256 N 2.85 4.91 -0.53 10.11 0.11 0.63 -1.66 120.40 136.82 3i5a s VAL 256 Ca 0.13 1.80 0.04 0.00 -2.93 0.00 0.00 61.98 61.02 3i5a s VAL 256 Cb -0.09 -4.20 0.14 0.00 -1.53 0.00 0.00 36.38 30.69 3i5a s VAL 256 CO -0.25 0.14 0.30 -0.76 -3.33 0.00 0.00 175.10 171.20 3i5a s LEU 257 N 1.32 3.97 0.75 2.54 1.43 -0.13 -1.19 118.68 127.36 3i5a s LEU 257 Ca 0.45 -3.09 -0.15 0.00 -1.03 0.00 0.00 54.13 50.31 3i5a s LEU 257 Cb -0.19 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.60 3i5a s LEU 257 CO 0.21 -0.21 1.19 -2.65 0.23 0.00 0.00 176.35 175.12 3i5a n PRO 258 N 2.98 0.52 -3.52 1.29 -0.02 -1.26 -1.86 135.00 133.13 3i5a n PRO 258 Ca 0.09 0.25 -0.26 0.00 -2.02 0.00 0.00 63.50 61.56 3i5a n PRO 258 Cb 0.34 -2.43 0.03 0.00 -0.02 0.00 0.00 33.50 31.41 3i5a n PRO 258 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3i5a n ASN 259 N -2.60 -5.28 -4.03 2.55 3.02 -0.18 -4.86 115.26 103.88 3i5a n ASN 259 Ca 0.14 -0.53 -0.25 0.00 -0.03 0.00 0.00 54.58 53.91 3i5a n ASN 259 Cb 0.49 -4.24 -0.17 0.00 -0.61 0.00 0.00 39.78 35.26 3i5a n ASN 259 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3i5a s THR 260 N -3.20 1.16 0.75 3.41 2.01 -0.31 -4.91 115.64 114.54 3i5a s THR 260 Ca 0.51 -0.50 -0.11 0.00 0.31 0.00 0.00 61.69 61.90 3i5a s THR 260 Cb -0.25 -1.06 0.04 0.00 0.01 0.00 0.00 72.50 71.25 3i5a s THR 260 CO 0.63 0.36 1.08 -0.94 -0.69 0.00 0.00 174.62 175.06 3i5a s SER 261 N 0.64 4.85 0.19 3.53 1.04 -1.26 -4.24 113.70 118.45 3i5a s SER 261 Ca -0.14 1.52 -0.12 0.00 0.48 0.00 0.00 55.95 57.69 3i5a s SER 261 Cb -0.16 -2.32 0.18 0.00 0.10 0.00 0.00 66.02 63.83 3i5a s SER 261 CO 0.04 -1.77 1.77 -0.65 0.98 0.00 0.00 173.24 173.61 3i5a h PRO 262 N -0.95 0.46 -0.30 4.02 0.11 -1.96 0.38 132.00 133.77 3i5a h PRO 262 Ca -0.45 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3i5a h PRO 262 Cb 1.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3i5a h PRO 262 CO 0.57 0.31 -0.18 0.78 -0.21 0.00 0.00 178.00 179.27 3i5a h GLY 263 N 0.48 0.57 0.67 -0.55 0.00 -1.99 -1.12 103.07 101.13 3i5a h GLY 263 Ca 0.25 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 3i5a h GLY 263 CO -0.21 0.40 -0.00 -1.33 0.00 0.00 0.00 176.54 175.40 3i5a h GLY 264 N 0.97 0.03 0.50 4.60 0.00 -1.67 -1.96 103.07 105.55 3i5a h GLY 264 Ca 0.08 -0.03 0.10 0.00 0.00 0.00 0.00 47.33 47.48 3i5a h GLY 264 CO 0.04 0.02 0.47 0.00 0.00 0.00 0.00 176.54 177.07 3i5a h ALA 265 N 0.67 1.19 -0.51 3.60 0.00 -0.13 -0.87 119.26 123.19 3i5a h ALA 265 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 3i5a h ALA 265 Cb 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3i5a h ALA 265 CO 0.00 0.09 -0.12 -0.09 0.00 0.00 0.00 179.25 179.13 3i5a h ARG 266 N 0.78 0.98 -0.40 0.00 2.43 -1.14 0.91 114.38 117.95 3i5a h ARG 266 Ca 0.40 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3i5a h ARG 266 Cb 0.38 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3i5a h ARG 266 CO -0.25 1.05 0.26 1.25 -1.51 0.00 0.00 179.97 180.76 3i5a h LEU 267 N 0.85 0.46 -0.73 3.80 5.85 -0.89 -0.12 115.31 124.53 3i5a h LEU 267 Ca 0.13 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.76 3i5a h LEU 267 Cb 0.68 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 3i5a h LEU 267 CO 0.05 0.34 0.19 0.25 -0.34 0.00 0.00 178.44 178.94 3i5a h LEU 268 N 0.54 1.09 -0.65 2.25 5.85 -0.88 -2.07 115.31 121.43 3i5a h LEU 268 Ca 0.15 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3i5a h LEU 268 Cb -0.05 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 3i5a h LEU 268 CO -0.03 1.03 0.39 0.00 -0.34 0.00 0.00 178.44 179.49 3i5a h ALA 269 N 1.10 0.83 -0.20 1.25 0.00 -0.40 -2.61 119.26 119.23 3i5a h ALA 269 Ca 0.23 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 3i5a h ALA 269 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i5a h ALA 269 CO -0.00 0.31 -0.51 1.49 0.00 0.00 0.00 179.25 180.53 3i5a h GLU 270 N 0.88 0.56 -0.61 0.00 4.57 -0.69 -1.17 114.58 118.13 3i5a h GLU 270 Ca 0.23 -0.34 -0.05 0.00 -1.18 0.00 0.00 59.36 58.02 3i5a h GLU 270 Cb -0.02 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 3i5a h GLU 270 CO -0.04 0.94 0.16 0.87 -1.18 0.00 0.00 179.01 179.76 3i5a h LYS 271 N 0.44 0.94 -0.02 1.92 1.57 -1.33 -1.72 116.57 118.37 3i5a h LYS 271 Ca 0.02 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 3i5a h LYS 271 Cb 1.04 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.22 3i5a h LYS 271 CO 0.10 0.82 -0.02 1.25 -0.57 0.00 0.00 179.45 181.03 3i5a h LEU 272 N 0.90 0.05 -0.31 2.94 5.85 -1.24 -1.46 115.31 122.04 3i5a h LEU 272 Ca 0.20 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.51 3i5a h LEU 272 Cb 0.30 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3i5a h LEU 272 CO -0.00 0.50 0.04 -0.09 -0.34 0.00 0.00 178.44 178.55 3i5a h ARG 273 N -0.39 0.14 -0.63 1.25 2.43 -1.15 -1.31 114.38 114.71 3i5a h ARG 273 Ca 0.00 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3i5a h ARG 273 Cb 0.48 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 3i5a h ARG 273 CO 0.00 0.09 0.33 1.96 -1.51 0.00 0.00 179.97 180.85 3i5a h GLN 274 N 0.14 0.60 -0.18 0.20 4.20 -1.33 -2.28 115.11 116.47 3i5a h GLN 274 Ca 0.15 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.87 3i5a h GLN 274 Cb 0.17 -0.14 -0.06 0.00 0.30 0.00 0.00 27.48 27.76 3i5a h GLN 274 CO -0.21 0.40 -0.20 0.77 -0.67 0.00 0.00 178.83 178.92 3i5a h SER 275 N 0.62 -0.63 0.43 1.46 0.02 -0.21 -0.63 113.55 114.61 3i5a h SER 275 Ca 0.29 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.34 3i5a h SER 275 Cb 0.20 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 3i5a h SER 275 CO -0.19 -0.25 -0.34 0.58 -1.14 0.00 0.00 176.83 175.49 3i5a h VAL 276 N -0.23 0.29 -0.95 2.27 2.07 -1.00 -1.51 116.25 117.19 3i5a h VAL 276 Ca 0.11 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.88 3i5a h VAL 276 Cb 0.40 0.29 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 3i5a h VAL 276 CO -0.31 0.00 0.65 0.00 0.02 0.00 0.00 177.57 177.93 3i5a h ALA 277 N -0.34 2.50 0.00 1.67 0.00 -1.26 -1.53 119.26 120.31 3i5a h ALA 277 Ca -0.04 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3i5a h ALA 277 Cb 0.67 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3i5a h ALA 277 CO -0.01 -0.81 -0.38 0.78 0.00 0.00 0.00 179.25 178.83 3i5a h GLY 278 N 0.23 0.00 1.72 0.00 0.00 -0.12 -2.25 103.07 102.65 3i5a h GLY 278 Ca 0.49 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.85 3i5a h GLY 278 CO -0.13 0.00 0.11 -0.33 0.00 0.00 0.00 176.54 176.19 3i5a h MET 279 N 0.00 0.00 -5.78 4.80 2.86 -0.61 -3.46 114.93 112.74 3i5a h MET 279 Ca -0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 3i5a h MET 279 Cb 1.23 0.00 0.12 0.00 0.06 0.00 0.00 31.60 33.01 3i5a h MET 279 CO 0.05 0.00 -0.78 -1.71 1.06 0.00 0.00 176.91 175.53 3i5a n ASN 280 N -4.04 -6.27 -4.62 1.22 5.15 -0.85 -4.96 115.26 100.89 3i5a n ASN 280 Ca -0.00 -0.74 -0.41 0.00 -0.60 0.00 0.00 54.58 52.83 3i5a n ASN 280 Cb 0.22 -4.41 -0.06 0.00 -0.53 0.00 0.00 39.78 35.00 3i5a n ASN 280 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3i5a s ILE 281 N -3.34 4.98 -0.09 -1.44 1.01 -1.26 -4.91 121.20 116.15 3i5a s ILE 281 Ca 0.38 1.13 -0.33 0.00 0.00 0.00 0.00 60.65 61.83 3i5a s ILE 281 Cb -0.09 -3.94 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 3i5a s ILE 281 CO 0.79 0.01 1.96 -2.65 0.00 0.00 0.00 174.94 175.06 3i5a n PRO 282 N 5.73 2.28 -4.35 2.79 -0.02 -1.26 0.17 135.00 140.33 3i5a n PRO 282 Ca -0.00 0.81 -0.20 0.00 -2.02 0.00 0.00 63.50 62.08 3i5a n PRO 282 Cb 0.49 -2.79 -0.10 0.00 -0.02 0.00 0.00 33.50 31.07 3i5a n PRO 282 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3i5a s HIS 283 N 4.81 1.81 -2.08 6.00 2.46 0.24 -4.74 115.29 123.79 3i5a s HIS 283 Ca 0.94 -0.50 0.19 0.00 0.47 0.00 0.00 55.06 56.15 3i5a s HIS 283 Cb -0.60 -0.86 0.29 0.00 -0.13 0.00 0.00 32.58 31.28 3i5a s HIS 283 CO 0.48 0.39 1.22 0.44 -2.47 0.00 0.00 174.74 174.79 3i5a n ILE 284 N -0.13 0.37 -4.47 0.89 -6.64 -1.26 -2.32 119.36 105.79 3i5a n ILE 284 Ca -0.10 -0.68 -0.29 0.00 -1.77 0.00 0.00 62.75 59.91 3i5a n ILE 284 Cb 0.59 1.07 -0.13 0.00 -1.44 0.00 0.00 39.64 39.72 3i5a n ILE 284 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3i5a s ALA 285 N -1.37 2.32 -0.68 -1.28 0.00 -1.26 -3.03 121.76 116.46 3i5a s ALA 285 Ca 0.28 -1.42 0.23 0.00 0.00 0.00 0.00 51.96 51.05 3i5a s ALA 285 Cb 0.18 -0.39 0.90 0.00 0.00 0.00 0.00 23.12 23.81 3i5a s ALA 285 CO 0.25 0.53 1.71 -0.35 0.00 0.00 0.00 175.76 177.89 3i5a n PRO 286 N 1.07 0.16 -3.99 0.00 -0.04 -1.26 -4.66 135.00 126.28 3i5a n PRO 286 Ca -0.18 0.30 -0.08 0.00 -0.04 0.00 0.00 63.50 63.50 3i5a n PRO 286 Cb 0.53 -1.75 -0.09 0.00 -0.04 0.00 0.00 33.50 32.14 3i5a n PRO 286 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i5a s VAL 287 N -3.18 0.18 0.43 0.52 0.11 -1.17 -5.11 120.40 112.19 3i5a s VAL 287 Ca 0.07 -1.52 -0.25 0.00 -2.93 0.00 0.00 61.98 57.35 3i5a s VAL 287 Cb 0.11 -1.41 -0.09 0.00 -1.53 0.00 0.00 36.38 33.46 3i5a s VAL 287 CO 0.44 -0.84 1.31 -2.65 -3.33 0.00 0.00 175.10 170.03 3i5a n PRO 288 N 0.09 2.01 -0.23 1.54 -0.02 -1.18 -2.57 135.00 134.65 3i5a n PRO 288 Ca -0.15 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3i5a n PRO 288 Cb 0.61 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 3i5a n PRO 288 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i5a n GLY 289 N 0.75 0.75 3.81 -1.23 0.00 -1.25 -5.01 105.19 103.00 3i5a n GLY 289 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3i5a n GLY 289 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3i5a s SER 290 N -2.89 5.50 0.16 1.61 0.01 -0.98 -4.88 113.70 112.21 3i5a s SER 290 Ca 0.00 1.74 0.10 0.00 1.31 0.00 0.00 55.95 59.10 3i5a s SER 290 Cb 0.00 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 3i5a s SER 290 CO 0.00 -1.36 -0.24 -0.94 0.41 0.00 0.00 173.24 171.11 3i5a s SER 291 N -3.26 3.18 -0.14 2.44 1.04 -1.26 0.79 113.70 116.50 3i5a s SER 291 Ca 0.61 -0.80 -0.37 0.00 0.48 0.00 0.00 55.95 55.87 3i5a s SER 291 Cb -0.15 -0.21 -0.14 0.00 0.10 0.00 0.00 66.02 65.61 3i5a s SER 291 CO 0.46 0.11 1.75 -0.11 0.98 0.00 0.00 173.24 176.44 3i5a n LEU 292 N 0.60 2.81 -4.79 2.42 7.94 0.45 -4.75 117.00 121.68 3i5a n LEU 292 Ca -0.15 1.04 -0.29 0.00 -1.11 0.00 0.00 56.01 55.50 3i5a n LEU 292 Cb 0.55 -1.26 -0.06 0.00 0.53 0.00 0.00 43.42 43.18 3i5a n LEU 292 CO 0.26 -0.32 -0.14 0.42 -1.11 0.00 0.00 177.39 176.50 3i5a s THR 293 N 3.31 1.63 -0.11 1.96 -4.23 -1.26 -4.07 115.64 112.87 3i5a s THR 293 Ca 0.94 -1.78 -0.08 0.00 -1.18 0.00 0.00 61.69 59.59 3i5a s THR 293 Cb -0.88 -2.41 0.04 0.00 1.34 0.00 0.00 72.50 70.59 3i5a s THR 293 CO 0.56 0.00 0.27 0.54 -0.54 0.00 0.00 174.62 175.45 3i5a s VAL 294 N -2.77 -0.02 -0.11 2.29 0.11 -1.26 -2.17 120.40 116.47 3i5a s VAL 294 Ca 0.24 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.31 3i5a s VAL 294 Cb 0.02 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.43 3i5a s VAL 294 CO 0.14 0.03 0.08 -0.44 -3.33 0.00 0.00 175.10 171.58 3i5a s SER 295 N 0.69 5.89 -0.03 3.54 0.01 0.24 -3.47 113.70 120.58 3i5a s SER 295 Ca -0.04 0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.57 3i5a s SER 295 Cb -0.06 -1.81 -0.00 0.00 0.21 0.00 0.00 66.02 64.36 3i5a s SER 295 CO -0.04 0.39 -0.12 -0.63 0.41 0.00 0.00 173.24 173.25 3i5a s ILE 296 N -0.95 0.99 -0.21 1.44 1.01 -0.96 -0.90 121.20 121.61 3i5a s ILE 296 Ca 0.14 -0.48 -0.08 0.00 0.00 0.00 0.00 60.65 60.23 3i5a s ILE 296 Cb -0.12 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 3i5a s ILE 296 CO 0.03 0.29 0.07 -0.83 0.00 0.00 0.00 174.94 174.51 3i5a s GLY 297 N 0.07 1.85 0.05 6.18 0.00 0.17 -2.43 107.32 113.21 3i5a s GLY 297 Ca -0.02 -0.91 0.02 0.00 0.00 0.00 0.00 44.72 43.81 3i5a s GLY 297 CO 0.01 0.27 0.07 0.14 0.00 0.00 0.00 173.10 173.58 3i5a s VAL 298 N 0.92 4.50 -0.28 1.40 1.01 -0.79 -0.62 120.40 126.55 3i5a s VAL 298 Ca 0.04 -0.68 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 3i5a s VAL 298 Cb -0.14 -3.12 0.10 0.00 0.00 0.00 0.00 36.38 33.21 3i5a s VAL 298 CO 0.03 0.21 0.80 0.00 0.00 0.00 0.00 175.10 176.13 3i5a s ALA 299 N -1.30 -1.94 -0.02 5.51 0.00 -0.97 -1.37 121.76 121.67 3i5a s ALA 299 Ca 0.26 2.21 0.00 0.00 0.00 0.00 0.00 51.96 54.44 3i5a s ALA 299 Cb -0.12 -1.42 0.02 0.00 0.00 0.00 0.00 23.12 21.59 3i5a s ALA 299 CO 0.19 -0.34 0.00 0.95 0.00 0.00 0.00 175.76 176.56 3i5a s THR 300 N 1.07 0.07 0.02 0.00 -4.23 -1.26 0.26 115.64 111.58 3i5a s THR 300 Ca -0.06 0.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.56 3i5a s THR 300 Cb -0.05 -0.14 -0.02 0.00 1.34 0.00 0.00 72.50 73.63 3i5a s THR 300 CO -0.12 0.08 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.26 3i5a s VAL 301 N 0.63 0.72 -0.48 2.29 1.01 0.15 -4.93 120.40 119.79 3i5a s VAL 301 Ca -0.06 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.02 3i5a s VAL 301 Cb -0.08 -0.68 0.10 0.00 0.00 0.00 0.00 36.38 35.72 3i5a s VAL 301 CO -0.01 -0.07 0.39 -0.89 0.00 0.00 0.00 175.10 174.51 3i5a s THR 302 N -0.77 4.79 0.34 3.92 2.01 -1.26 -0.24 115.64 124.44 3i5a s THR 302 Ca -0.02 -1.42 -0.29 0.00 0.31 0.00 0.00 61.69 60.27 3i5a s THR 302 Cb -0.07 -4.00 -0.11 0.00 0.01 0.00 0.00 72.50 68.33 3i5a s THR 302 CO 0.00 -0.69 1.46 -2.84 -0.69 0.00 0.00 174.62 171.87 3i5a s PRO 303 N 1.52 4.17 0.17 4.92 0.02 -1.26 -5.01 135.00 139.54 3i5a s PRO 303 Ca 0.04 2.48 0.06 0.00 0.02 0.00 0.00 61.00 63.60 3i5a s PRO 303 Cb -0.26 -3.01 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 3i5a s PRO 303 CO 0.03 -0.47 0.06 -0.65 -0.33 0.00 0.00 177.00 175.64 3i5a s GLN 304 N -1.65 2.62 0.42 5.54 -1.52 -1.26 -4.40 119.66 119.41 3i5a s GLN 304 Ca 0.54 -1.01 -0.25 0.00 -1.95 0.00 0.00 55.36 52.69 3i5a s GLN 304 Cb -0.45 -2.48 -0.10 0.00 -0.22 0.00 0.00 33.01 29.77 3i5a s GLN 304 CO 0.57 0.46 1.21 0.28 -0.25 0.00 0.00 175.29 177.57 3i5a n VAL 305 N -0.25 2.58 0.00 1.09 0.31 -1.26 -1.88 118.33 118.92 3i5a n VAL 305 Ca -0.09 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 3i5a n VAL 305 Cb 0.55 -1.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 3i5a n VAL 305 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i5a n GLY 306 N 0.90 3.10 3.75 2.92 0.00 -1.26 -5.00 105.19 109.60 3i5a n GLY 306 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3i5a n GLY 306 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3i5a s GLN 307 N -0.22 4.59 -0.18 1.61 0.74 -0.79 -5.03 119.66 120.38 3i5a s GLN 307 Ca 0.00 1.80 -0.10 0.00 0.05 0.00 0.00 55.36 57.11 3i5a s GLN 307 Cb 0.00 -3.23 -0.05 0.00 1.10 0.00 0.00 33.01 30.84 3i5a s GLN 307 CO 0.00 0.10 0.16 -1.58 -0.55 0.00 0.00 175.29 173.42 3i5a s HIS 308 N -0.65 3.44 0.61 1.67 5.65 -1.26 -4.88 115.29 119.88 3i5a s HIS 308 Ca 0.48 0.40 0.30 0.00 0.25 0.00 0.00 55.06 56.49 3i5a s HIS 308 Cb -0.31 -2.16 1.61 0.00 -1.18 0.00 0.00 32.58 30.53 3i5a s HIS 308 CO 0.38 0.34 1.90 0.66 -0.65 0.00 0.00 174.74 177.37 3i5a h SER 309 N 6.44 0.00 -0.14 9.88 4.64 -1.97 -1.07 113.55 131.33 3i5a h SER 309 Ca -0.43 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.93 3i5a h SER 309 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3i5a h SER 309 CO 0.74 0.00 0.12 0.08 -0.87 0.00 0.00 176.83 176.90 3i5a h ARG 310 N 0.00 0.00 -0.72 4.77 0.11 -2.00 -0.94 114.38 115.60 3i5a h ARG 310 Ca 0.00 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.16 3i5a h ARG 310 Cb 0.62 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.63 3i5a h ARG 310 CO 0.00 0.00 0.38 0.37 0.10 0.00 0.00 179.97 180.82 3i5a h GLN 311 N 0.00 0.64 -0.61 0.08 5.75 -1.61 -0.34 115.11 119.03 3i5a h GLN 311 Ca 0.07 -0.04 -0.04 0.00 -0.15 0.00 0.00 58.65 58.49 3i5a h GLN 311 Cb 0.31 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 3i5a h GLN 311 CO -0.00 0.42 0.23 1.25 -2.65 0.00 0.00 178.83 178.08 3i5a h LEU 312 N 0.66 0.86 -0.11 -2.39 5.85 -1.39 -1.75 115.31 117.03 3i5a h LEU 312 Ca 0.34 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3i5a h LEU 312 Cb 0.31 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3i5a h LEU 312 CO -0.24 0.81 0.05 0.40 -0.34 0.00 0.00 178.44 179.12 3i5a h ILE 313 N 0.85 1.13 -0.52 4.05 5.03 -1.41 -2.14 117.51 124.51 3i5a h ILE 313 Ca 0.20 -0.38 0.07 0.00 -0.12 0.00 0.00 64.86 64.63 3i5a h ILE 313 Cb 0.23 1.18 -0.06 0.00 -3.03 0.00 0.00 36.82 35.14 3i5a h ILE 313 CO -0.01 0.12 0.20 -0.07 -0.68 0.00 0.00 178.15 177.70 3i5a h LEU 314 N 0.04 0.21 -1.43 1.44 3.38 -0.93 -1.27 115.31 116.75 3i5a h LEU 314 Ca 0.04 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3i5a h LEU 314 Cb 0.14 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3i5a h LEU 314 CO -0.00 0.15 0.40 0.44 0.09 0.00 0.00 178.44 179.51 3i5a h ASP 315 N 0.38 0.65 -0.10 -0.43 3.32 -1.16 -0.36 116.42 118.73 3i5a h ASP 315 Ca 0.25 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 57.13 3i5a h ASP 315 Cb 0.26 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 3i5a h ASP 315 CO -0.24 0.46 -0.49 0.00 -1.72 0.00 0.00 179.24 177.25 3i5a h ALA 316 N 1.64 0.69 -0.15 3.45 0.00 -0.60 -2.57 119.26 121.71 3i5a h ALA 316 Ca 0.23 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.50 3i5a h ALA 316 Cb 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3i5a h ALA 316 CO -0.06 0.67 -0.57 -0.44 0.00 0.00 0.00 179.25 178.86 3i5a h ASP 317 N 0.52 0.51 -0.04 0.00 3.45 -0.58 0.36 116.42 120.63 3i5a h ASP 317 Ca 0.03 -0.28 0.02 0.00 0.43 0.00 0.00 57.03 57.23 3i5a h ASP 317 Cb 1.04 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 39.64 3i5a h ASP 317 CO 0.10 0.97 -0.06 0.11 -1.57 0.00 0.00 179.24 178.79 3i5a h LYS 318 N 0.34 -0.08 -0.62 3.56 1.57 -1.04 0.44 116.57 120.75 3i5a h LYS 318 Ca 0.00 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3i5a h LYS 318 Cb 1.10 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.39 3i5a h LYS 318 CO 0.10 -0.05 0.41 0.78 -0.57 0.00 0.00 179.45 180.12 3i5a h GLY 319 N -0.08 0.87 0.96 3.86 0.00 -1.05 0.25 103.07 107.88 3i5a h GLY 319 Ca 0.04 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3i5a h GLY 319 CO -0.09 0.32 0.19 -2.00 0.00 0.00 0.00 176.54 174.96 3i5a h LEU 320 N 0.84 0.48 -0.79 3.11 5.85 -0.02 -0.79 115.31 124.00 3i5a h LEU 320 Ca 0.23 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3i5a h LEU 320 Cb -0.10 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.77 3i5a h LEU 320 CO -0.05 0.45 0.44 0.22 -0.34 0.00 0.00 178.44 179.17 3i5a h TYR 321 N 0.48 1.08 0.87 1.25 3.20 0.36 -1.48 116.97 122.72 3i5a h TYR 321 Ca 0.13 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3i5a h TYR 321 Cb 0.09 -0.35 0.01 0.00 1.54 0.00 0.00 36.73 38.02 3i5a h TYR 321 CO -0.02 0.75 -0.42 -0.07 -1.64 0.00 0.00 178.16 176.76 3i5a h LEU 322 N 1.09 -0.98 -0.84 2.82 3.38 -0.21 -1.02 115.31 119.54 3i5a h LEU 322 Ca 0.28 0.03 0.21 0.00 0.09 0.00 0.00 57.88 58.49 3i5a h LEU 322 Cb 0.02 0.25 -0.14 0.00 0.09 0.00 0.00 40.66 40.88 3i5a h LEU 322 CO -0.05 -0.66 0.15 0.00 0.09 0.00 0.00 178.44 177.98 3i5a h ALA 323 N -1.17 1.11 -0.41 1.53 0.00 -1.07 0.15 119.26 119.39 3i5a h ALA 323 Ca -0.12 0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3i5a h ALA 323 Cb 0.90 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3i5a h ALA 323 CO 0.20 -0.45 0.23 0.87 0.00 0.00 0.00 179.25 180.10 3i5a h LYS 324 N 0.17 0.57 -1.10 0.00 1.57 -1.13 -2.76 116.57 113.89 3i5a h LYS 324 Ca 0.51 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 59.10 3i5a h LYS 324 Cb 0.98 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.10 3i5a h LYS 324 CO -0.66 0.46 0.16 0.09 -0.57 0.00 0.00 179.45 178.92 3i5a n ASN 325 N -4.73 3.53 -0.49 0.86 3.02 0.47 -3.04 115.26 114.88 3i5a n ASN 325 Ca 0.00 -2.42 0.00 0.00 -0.03 0.00 0.00 54.58 52.14 3i5a n ASN 325 Cb 0.08 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 3i5a n ASN 325 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3i5a n ASN 326 N 0.23 0.00 0.00 6.41 5.15 -0.97 -4.99 115.26 121.09 3i5a n ASN 326 Ca 0.14 -1.73 0.00 0.00 -0.60 0.00 0.00 54.58 52.38 3i5a n ASN 326 Cb 0.74 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.84 3i5a n ASN 326 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i5a n GLY 327 N 0.00 1.23 4.34 8.20 0.00 -1.17 -5.05 105.19 112.74 3i5a n GLY 327 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 3i5a n GLY 327 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5a n ARG 328 N -0.40 -1.31 -4.37 1.61 5.12 -1.06 -4.86 116.66 111.40 3i5a n ARG 328 Ca 0.00 0.86 -0.36 0.00 -1.93 0.00 0.00 57.85 56.42 3i5a n ARG 328 Cb 0.00 -1.59 -0.07 0.00 -1.16 0.00 0.00 32.46 29.63 3i5a n ARG 328 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3i5a n ASN 329 N -3.37 -0.90 -3.82 0.55 5.15 -1.24 -4.91 115.26 106.73 3i5a n ASN 329 Ca 0.00 -1.20 -0.09 0.00 -0.60 0.00 0.00 54.58 52.69 3i5a n ASN 329 Cb 0.30 -1.90 -0.04 0.00 -0.53 0.00 0.00 39.78 37.60 3i5a n ASN 329 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i5a s GLN 330 N -7.19 1.37 -0.10 1.20 -2.07 -1.23 -4.92 119.66 106.73 3i5a s GLN 330 Ca 0.45 -0.98 -0.01 0.00 -1.82 0.00 0.00 55.36 53.00 3i5a s GLN 330 Cb -0.26 0.49 -0.03 0.00 -1.09 0.00 0.00 33.01 32.12 3i5a s GLN 330 CO 0.99 -0.57 -0.05 0.08 -1.32 0.00 0.00 175.29 174.42 3i5a s VAL 331 N -3.91 3.82 -0.06 3.63 1.01 -1.26 -2.28 120.40 121.35 3i5a s VAL 331 Ca 0.12 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.64 3i5a s VAL 331 Cb -0.00 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.79 3i5a s VAL 331 CO -0.01 0.56 0.15 0.00 0.00 0.00 0.00 175.10 175.81 3i5a s ALA 332 N -0.37 -0.37 -0.13 5.51 0.00 -1.02 -4.92 121.76 120.46 3i5a s ALA 332 Ca 0.06 0.48 -0.21 0.00 0.00 0.00 0.00 51.96 52.29 3i5a s ALA 332 Cb -0.12 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3i5a s ALA 332 CO 0.02 -0.09 0.60 0.00 0.00 0.00 0.00 175.76 176.30 3i5a s ALA 333 N 0.26 3.45 -2.50 0.00 0.00 -1.26 -1.88 121.76 119.83 3i5a s ALA 333 Ca -0.01 -0.12 0.28 0.00 0.00 0.00 0.00 51.96 52.11 3i5a s ALA 333 Cb -0.03 -2.86 1.05 0.00 0.00 0.00 0.00 23.12 21.29 3i5a s ALA 333 CO -0.01 -0.23 1.75 0.41 0.00 0.00 0.00 175.76 177.68