#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3i s GLU 3 N 0.00 0.22 0.48 1.43 2.56 -1.26 -5.14 118.70 116.99 1g3i s GLU 3 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.97 54.82 1g3i s GLU 3 Cb 0.00 0.10 0.13 0.00 2.00 0.00 0.00 34.13 36.36 1g3i s GLU 3 CO 0.00 -0.09 0.30 -1.33 -0.56 0.00 0.00 175.26 173.58 1g3i n MET 4 N -0.01 -2.83 -4.22 4.30 2.81 -1.26 -5.07 117.12 110.85 1g3i n MET 4 Ca 0.02 -0.50 -0.13 0.00 -1.81 0.00 0.00 57.70 55.28 1g3i n MET 4 Cb 0.58 -0.62 -0.10 0.00 -0.71 0.00 0.00 33.22 32.36 1g3i n MET 4 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1g3i s THR 5 N -1.40 0.98 0.05 2.03 -4.23 -1.26 -4.95 115.64 106.85 1g3i s THR 5 Ca 0.23 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.64 1g3i s THR 5 Cb -0.04 -1.78 -0.02 0.00 1.34 0.00 0.00 72.50 72.00 1g3i s THR 5 CO 0.19 -0.80 1.14 -2.65 -0.54 0.00 0.00 174.62 171.96 1g3i n PRO 6 N -0.13 -0.12 0.15 3.99 -0.02 -1.26 0.97 135.00 138.58 1g3i n PRO 6 Ca -0.11 1.13 0.03 0.00 -2.02 0.00 0.00 63.50 62.53 1g3i n PRO 6 Cb 0.61 -1.69 0.42 0.00 -0.02 0.00 0.00 33.50 32.82 1g3i n PRO 6 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1g3i h ARG 7 N 0.00 0.15 -0.32 -0.52 2.43 -1.97 -2.48 114.38 111.66 1g3i h ARG 7 Ca 0.05 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 1g3i h ARG 7 Cb 0.12 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1g3i h ARG 7 CO -0.26 0.33 0.05 1.49 -1.51 0.00 0.00 179.97 180.06 1g3i h GLU 8 N 0.14 0.54 -0.12 0.20 4.81 -1.25 -2.73 114.58 116.16 1g3i h GLU 8 Ca 0.03 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.08 1g3i h GLU 8 Cb 0.40 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1g3i h GLU 8 CO 0.03 0.62 -0.04 0.82 -0.73 0.00 0.00 179.01 179.71 1g3i h ILE 9 N 0.37 1.30 -0.90 2.32 2.04 0.81 -2.77 117.51 120.67 1g3i h ILE 9 Ca 0.10 -1.01 0.21 0.00 1.00 0.00 0.00 64.86 65.17 1g3i h ILE 9 Cb 0.35 1.71 -0.12 0.00 -0.74 0.00 0.00 36.82 38.02 1g3i h ILE 9 CO 0.01 0.29 0.42 0.58 0.00 0.00 0.00 178.15 179.44 1g3i h VAL 10 N -0.08 0.51 -0.05 1.67 2.07 -1.43 0.40 116.25 119.35 1g3i h VAL 10 Ca 0.03 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1g3i h VAL 10 Cb 0.47 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1g3i h VAL 10 CO 0.01 0.08 -0.37 0.28 0.02 0.00 0.00 177.57 177.60 1g3i h SER 11 N 0.45 -1.15 -0.81 0.57 0.02 -1.20 0.42 113.55 111.84 1g3i h SER 11 Ca 0.56 0.13 0.17 0.00 -0.84 0.00 0.00 61.79 61.81 1g3i h SER 11 Cb 1.02 0.44 -0.15 0.00 0.14 0.00 0.00 62.40 63.86 1g3i h SER 11 CO -0.50 -0.34 -0.15 -0.08 -1.14 0.00 0.00 176.83 174.62 1g3i h GLU 12 N -0.42 0.02 -0.60 3.45 4.57 -0.93 0.20 114.58 120.86 1g3i h GLU 12 Ca 0.02 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1g3i h GLU 12 Cb 0.47 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 1g3i h GLU 12 CO -0.27 0.01 0.38 -0.07 -1.18 0.00 0.00 179.01 177.87 1g3i h LEU 13 N 0.02 0.72 -2.06 1.64 3.38 0.37 -1.72 115.31 117.66 1g3i h LEU 13 Ca 0.41 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.36 1g3i h LEU 13 Cb 0.67 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1g3i h LEU 13 CO -0.81 0.55 0.33 0.44 0.09 0.00 0.00 178.44 179.04 1g3i h ASP 14 N 0.82 0.00 0.91 -0.43 3.32 0.30 0.29 116.42 121.62 1g3i h ASP 14 Ca 0.22 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1g3i h ASP 14 Cb -0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1g3i h ASP 14 CO -0.04 0.00 -0.14 1.56 -1.72 0.00 0.00 179.24 178.89 1g3i h GLN 15 N 0.00 0.00 0.00 3.56 4.20 -0.93 -3.35 115.11 118.58 1g3i h GLN 15 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1g3i h GLN 15 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1g3i h GLN 15 CO -0.00 0.14 -0.87 0.72 -0.67 0.00 0.00 178.83 178.16 1g3i n HIS 16 N -3.32 0.00 -4.55 2.96 8.25 0.88 -1.95 115.22 117.49 1g3i n HIS 16 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 1g3i n HIS 16 Cb 0.37 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.38 1g3i n HIS 16 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1g3i s ILE 17 N -1.78 3.72 -0.27 1.59 1.09 -0.43 -4.87 121.20 120.25 1g3i s ILE 17 Ca 0.00 -0.57 -0.11 0.00 -1.10 0.00 0.00 60.65 58.87 1g3i s ILE 17 Cb 0.00 -2.56 -0.05 0.00 -1.06 0.00 0.00 42.46 38.80 1g3i s ILE 17 CO 0.00 0.52 0.17 -0.63 -0.10 0.00 0.00 174.94 174.91 1g3i s ILE 18 N -0.88 5.26 0.00 2.92 -1.09 -1.26 -4.50 121.20 121.65 1g3i s ILE 18 Ca 0.14 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 1g3i s ILE 18 Cb -0.11 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1g3i s ILE 18 CO 0.04 0.28 0.00 0.61 -1.23 0.00 0.00 174.94 174.64 1g3i n GLY 19 N 4.85 0.14 3.55 6.18 0.00 -1.26 -4.96 105.19 113.69 1g3i n GLY 19 Ca -0.14 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 1g3i n GLY 19 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g3i n GLN 20 N 4.87 -1.49 -0.06 1.61 1.13 -1.26 -4.91 117.38 117.27 1g3i n GLN 20 Ca 0.00 1.02 -0.05 0.00 -1.94 0.00 0.00 57.00 56.02 1g3i n GLN 20 Cb 0.00 -3.42 -0.03 0.00 0.11 0.00 0.00 30.24 26.89 1g3i n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g3i h ALA 21 N 1.04 0.03 -0.86 -1.58 0.00 -1.92 -3.22 119.26 112.75 1g3i h ALA 21 Ca -0.43 -0.34 0.22 0.00 0.00 0.00 0.00 54.91 54.37 1g3i h ALA 21 Cb 1.27 0.22 -0.14 0.00 0.00 0.00 0.00 17.79 19.14 1g3i h ALA 21 CO 0.34 0.21 0.21 -0.44 0.00 0.00 0.00 179.25 179.58 1g3i h ASP 22 N -1.00 -0.02 0.40 0.00 3.32 -1.91 0.16 116.42 117.36 1g3i h ASP 22 Ca -0.03 0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1g3i h ASP 22 Cb 0.42 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.21 1g3i h ASP 22 CO -0.02 -0.14 -0.36 0.00 -1.72 0.00 0.00 179.24 177.00 1g3i h ALA 23 N 1.76 -0.80 -0.87 3.45 0.00 -1.81 0.53 119.26 121.52 1g3i h ALA 23 Ca 0.53 -0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.49 1g3i h ALA 23 Cb 1.04 0.51 -0.11 0.00 0.00 0.00 0.00 17.79 19.23 1g3i h ALA 23 CO -0.64 -0.98 0.41 0.87 0.00 0.00 0.00 179.25 178.91 1g3i h LYS 24 N -0.77 0.49 -0.06 0.00 1.57 -0.80 0.10 116.57 117.11 1g3i h LYS 24 Ca -0.03 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1g3i h LYS 24 Cb 0.68 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 1g3i h LYS 24 CO -0.04 0.33 0.03 -0.09 -0.57 0.00 0.00 179.45 179.10 1g3i h ARG 25 N 0.51 0.09 -0.26 3.15 2.43 -0.38 -0.76 114.38 119.16 1g3i h ARG 25 Ca 0.51 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.73 1g3i h ARG 25 Cb 0.84 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 1g3i h ARG 25 CO -0.44 0.19 -0.26 0.00 -1.51 0.00 0.00 179.97 177.95 1g3i h ALA 26 N 0.89 -0.16 0.00 2.80 0.00 0.14 0.27 119.26 123.20 1g3i h ALA 26 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1g3i h ALA 26 Cb 0.14 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1g3i h ALA 26 CO -0.00 -0.69 0.00 -0.39 0.00 0.00 0.00 179.25 178.17 1g3i h VAL 27 N -0.27 0.00 0.12 0.00 -1.51 -1.11 -1.77 116.25 111.71 1g3i h VAL 27 Ca 0.14 -0.44 -0.01 0.00 -1.23 0.00 0.00 66.70 65.16 1g3i h VAL 27 Cb 0.48 1.37 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 1g3i h VAL 27 CO -0.41 0.00 -0.06 0.00 -1.23 0.00 0.00 177.57 175.87 1g3i h ALA 28 N 2.08 -0.16 -0.69 5.19 0.00 0.92 0.19 119.26 126.79 1g3i h ALA 28 Ca 0.00 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 54.76 1g3i h ALA 28 Cb 0.48 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1g3i h ALA 28 CO 0.00 -0.22 0.45 -0.84 0.00 0.00 0.00 179.25 178.64 1g3i h ILE 29 N -0.91 0.95 -0.08 0.00 3.07 -0.56 0.23 117.51 120.21 1g3i h ILE 29 Ca -0.02 -0.21 -0.01 0.00 1.55 0.00 0.00 64.86 66.17 1g3i h ILE 29 Cb 0.52 0.30 -0.00 0.00 -0.27 0.00 0.00 36.82 37.37 1g3i h ILE 29 CO 0.03 0.11 -0.01 0.00 -1.05 0.00 0.00 178.15 177.23 1g3i h ALA 30 N 1.65 0.10 0.00 0.16 0.00 -1.29 0.45 119.26 120.34 1g3i h ALA 30 Ca 0.31 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1g3i h ALA 30 Cb 0.42 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1g3i h ALA 30 CO -0.10 -0.19 -0.23 1.25 0.00 0.00 0.00 179.25 179.98 1g3i h LEU 31 N -0.17 0.00 -0.08 0.00 5.85 0.21 -3.10 115.31 118.02 1g3i h LEU 31 Ca 0.02 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.58 1g3i h LEU 31 Cb 0.38 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.42 1g3i h LEU 31 CO 0.01 0.23 -0.58 -0.09 -0.34 0.00 0.00 178.44 177.67 1g3i h ARG 32 N 0.00 0.54 -0.05 1.25 9.65 -0.14 -2.92 114.38 122.70 1g3i h ARG 32 Ca -0.00 -0.47 0.01 0.00 -1.10 0.00 0.00 59.98 58.43 1g3i h ARG 32 Cb 0.69 0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.37 1g3i h ARG 32 CO 0.03 1.10 0.33 -0.91 2.80 0.00 0.00 179.97 183.31 1g3i h ASN 33 N 0.14 0.00 -0.35 -3.80 2.35 -0.83 0.22 115.58 113.30 1g3i h ASN 33 Ca -0.05 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1g3i h ASN 33 Cb 1.23 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.59 1g3i h ASN 33 CO 0.12 0.00 0.07 -0.09 -1.65 0.00 0.00 177.43 175.88 1g3i h ARG 34 N 0.00 0.57 -0.05 0.81 9.65 -1.56 -1.55 114.38 122.25 1g3i h ARG 34 Ca 0.02 -0.14 -0.16 0.00 -1.10 0.00 0.00 59.98 58.60 1g3i h ARG 34 Cb 0.68 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.18 1g3i h ARG 34 CO -0.00 0.63 -0.67 2.35 2.80 0.00 0.00 179.97 185.07 1g3i h TRP 35 N 0.42 0.29 0.41 2.20 7.01 -0.72 -3.29 115.95 122.26 1g3i h TRP 35 Ca 0.11 -0.12 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1g3i h TRP 35 Cb 0.32 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 1g3i h TRP 35 CO 0.02 0.82 -0.20 0.00 -2.79 0.00 0.00 178.44 176.29 1g3i h ARG 36 N 0.15 -0.53 -7.22 2.65 3.08 -1.02 -3.36 114.38 108.13 1g3i h ARG 36 Ca -0.02 0.04 -0.44 0.00 0.07 0.00 0.00 59.98 59.63 1g3i h ARG 36 Cb 1.21 0.12 0.19 0.00 0.08 0.00 0.00 29.97 31.57 1g3i h ARG 36 CO 0.10 -0.35 0.06 0.50 -1.07 0.00 0.00 179.97 179.21 1g3i s ARG 37 N -4.02 -0.68 -1.33 0.04 3.52 -0.61 -2.44 118.95 113.42 1g3i s ARG 37 Ca -0.08 0.63 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 1g3i s ARG 37 Cb 0.01 -1.60 0.00 0.00 -1.56 0.00 0.00 34.95 31.80 1g3i s ARG 37 CO 0.24 -3.51 0.00 -0.12 -0.81 0.00 0.00 175.30 171.10 1g3i n MET 38 N -4.74 -0.99 0.00 5.12 1.56 -1.26 -4.55 117.12 112.27 1g3i n MET 38 Ca 0.04 0.86 0.00 0.00 -0.27 0.00 0.00 57.70 58.33 1g3i n MET 38 Cb 0.56 -5.00 0.00 0.00 2.15 0.00 0.00 33.22 30.93 1g3i n MET 38 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1g3i n GLN 39 N -2.50 0.00 -2.76 2.12 -0.06 -1.02 -4.98 117.38 108.18 1g3i n GLN 39 Ca -0.14 0.00 -0.21 0.00 -2.00 0.00 0.00 57.00 54.65 1g3i n GLN 39 Cb 0.51 -0.08 0.05 0.00 -4.06 0.00 0.00 30.24 26.66 1g3i n GLN 39 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1g3i s LEU 40 N 0.00 3.25 0.09 1.69 1.43 -1.24 -5.09 118.68 118.81 1g3i s LEU 40 Ca 0.00 -0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 52.59 1g3i s LEU 40 Cb 0.00 -2.43 -0.07 0.00 0.03 0.00 0.00 46.19 43.73 1g3i s LEU 40 CO 0.00 -1.27 0.63 -1.10 0.23 0.00 0.00 176.35 174.83 1g3i s GLN 41 N -4.76 4.30 0.00 1.70 -1.52 -1.26 -4.50 119.66 113.62 1g3i s GLN 41 Ca 0.60 0.85 0.00 0.00 -1.95 0.00 0.00 55.36 54.85 1g3i s GLN 41 Cb -0.08 -3.25 0.00 0.00 -0.22 0.00 0.00 33.01 29.45 1g3i s GLN 41 CO 0.39 0.60 0.00 -1.91 -0.25 0.00 0.00 175.29 174.11 1g3i n GLU 42 N 1.79 0.00 0.33 2.91 4.07 -1.26 -1.27 120.64 127.20 1g3i n GLU 42 Ca -0.09 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 56.84 1g3i n GLU 42 Cb 0.50 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.80 1g3i n GLU 42 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1g3i h PRO 43 N 0.00 -0.82 0.01 5.31 0.11 -2.01 -3.19 132.00 131.41 1g3i h PRO 43 Ca 0.00 0.06 -0.25 0.00 0.11 0.00 0.00 66.00 65.92 1g3i h PRO 43 Cb 0.00 0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.31 1g3i h PRO 43 CO 0.00 -0.55 -1.00 -0.07 -0.21 0.00 0.00 178.00 176.17 1g3i h LEU 44 N -0.86 0.71 -1.43 2.35 3.38 -1.56 -2.82 115.31 115.09 1g3i h LEU 44 Ca -0.07 -0.58 0.15 0.00 0.09 0.00 0.00 57.88 57.47 1g3i h LEU 44 Cb 0.68 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1g3i h LEU 44 CO 0.10 1.38 0.76 -0.09 0.09 0.00 0.00 178.44 180.67 1g3i h ARG 45 N 0.30 0.00 0.00 1.13 2.43 -1.46 0.23 114.38 117.01 1g3i h ARG 45 Ca -0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1g3i h ARG 45 Cb 1.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1g3i h ARG 45 CO 0.19 0.00 -0.93 1.58 -1.51 0.00 0.00 179.97 179.30 1g3i n HIS 46 N -3.27 0.00 0.08 2.20 -0.00 -1.21 -4.46 115.22 108.57 1g3i n HIS 46 Ca 0.10 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.24 1g3i n HIS 46 Cb 0.94 -0.10 -0.05 0.00 -0.12 0.00 0.00 29.99 30.65 1g3i n HIS 46 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 1g3i h GLU 47 N 0.00 0.00 -6.28 1.57 4.39 -0.30 -3.45 114.58 110.51 1g3i h GLU 47 Ca 0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1g3i h GLU 47 Cb 0.26 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1g3i h GLU 47 CO 0.00 0.86 0.15 0.54 -1.16 0.00 0.00 179.01 179.40 1g3i s VAL 48 N -2.87 4.75 0.19 3.13 0.11 -0.88 -5.06 120.40 119.76 1g3i s VAL 48 Ca 0.01 1.61 0.11 0.00 -2.93 0.00 0.00 61.98 60.78 1g3i s VAL 48 Cb 0.10 -4.11 -0.04 0.00 -1.53 0.00 0.00 36.38 30.80 1g3i s VAL 48 CO 0.80 0.36 -0.22 0.42 -3.33 0.00 0.00 175.10 173.13 1g3i s THR 49 N -0.02 2.49 0.54 5.04 -4.23 -1.26 -5.01 115.64 113.18 1g3i s THR 49 Ca 0.38 -1.95 -0.18 0.00 -1.18 0.00 0.00 61.69 58.76 1g3i s THR 49 Cb -0.20 -2.20 -0.11 0.00 1.34 0.00 0.00 72.50 71.34 1g3i s THR 49 CO 0.23 -0.10 0.38 -2.65 -0.54 0.00 0.00 174.62 171.93 1g3i n PRO 50 N 0.27 0.40 -2.76 3.99 -0.02 -1.26 -4.92 135.00 130.69 1g3i n PRO 50 Ca -0.13 0.16 -0.36 0.00 -2.02 0.00 0.00 63.50 61.15 1g3i n PRO 50 Cb 0.56 -1.52 -0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1g3i n PRO 50 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1g3i n LYS 51 N 0.37 4.58 -0.52 -0.52 4.76 -1.26 -5.05 118.16 120.52 1g3i n LYS 51 Ca 0.11 -4.75 -0.18 0.00 -2.87 0.00 0.00 58.31 50.62 1g3i n LYS 51 Cb 0.47 -2.38 -0.01 0.00 -1.84 0.00 0.00 35.03 31.26 1g3i n LYS 51 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1g3i n ASN 52 N -0.11 -0.47 -4.66 4.39 3.02 -1.26 -4.39 115.26 111.77 1g3i n ASN 52 Ca 0.41 0.42 -0.33 0.00 -0.03 0.00 0.00 54.58 55.04 1g3i n ASN 52 Cb 0.31 -0.35 -0.09 0.00 -0.61 0.00 0.00 39.78 39.04 1g3i n ASN 52 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1g3i s ILE 53 N -0.37 4.10 -0.26 2.41 1.01 -0.41 -3.12 121.20 124.56 1g3i s ILE 53 Ca 0.24 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.42 1g3i s ILE 53 Cb -0.34 -2.77 0.06 0.00 0.01 0.00 0.00 42.46 39.41 1g3i s ILE 53 CO 0.21 0.48 -0.10 -0.22 0.00 0.00 0.00 174.94 175.30 1g3i s LEU 54 N -1.24 3.37 -0.13 2.97 2.96 -0.51 0.29 118.68 126.39 1g3i s LEU 54 Ca 0.16 -1.38 -0.14 0.00 -0.22 0.00 0.00 54.13 52.55 1g3i s LEU 54 Cb -0.11 -1.51 -0.05 0.00 0.50 0.00 0.00 46.19 45.02 1g3i s LEU 54 CO 0.06 -0.20 0.34 -0.04 -1.32 0.00 0.00 176.35 175.19 1g3i s MET 55 N 1.13 4.19 -0.12 1.98 -1.94 0.51 -2.15 119.30 122.89 1g3i s MET 55 Ca -0.09 0.20 -0.02 0.00 -1.71 0.00 0.00 55.69 54.07 1g3i s MET 55 Cb -0.20 -3.39 -0.03 0.00 2.01 0.00 0.00 34.83 33.22 1g3i s MET 55 CO -0.05 0.31 -0.05 0.42 -0.01 0.00 0.00 175.02 175.64 1g3i s ILE 56 N 0.22 3.85 0.04 2.53 1.09 -0.53 -2.34 121.20 126.06 1g3i s ILE 56 Ca 0.19 -0.39 -0.15 0.00 -1.10 0.00 0.00 60.65 59.20 1g3i s ILE 56 Cb -0.14 -2.65 0.05 0.00 -1.06 0.00 0.00 42.46 38.67 1g3i s ILE 56 CO 0.06 0.54 0.71 0.61 -0.10 0.00 0.00 174.94 176.76 1g3i n GLY 57 N 3.02 0.59 2.87 6.18 0.00 -0.26 0.22 105.19 117.81 1g3i n GLY 57 Ca -0.18 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 1g3i n GLY 57 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1g3i n PRO 58 N -0.51 -0.56 -2.66 1.61 -0.02 -1.26 -3.23 135.00 128.37 1g3i n PRO 58 Ca 0.01 -1.72 -0.42 0.00 -2.02 0.00 0.00 63.50 59.35 1g3i n PRO 58 Cb 0.35 -0.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.99 1g3i n PRO 58 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1g3i s THR 59 N -2.80 4.70 -0.92 3.45 2.01 -1.26 -4.33 115.64 116.49 1g3i s THR 59 Ca 0.53 1.95 -0.08 0.00 0.31 0.00 0.00 61.69 64.40 1g3i s THR 59 Cb -0.02 -4.25 0.00 0.00 0.01 0.00 0.00 72.50 68.24 1g3i s THR 59 CO 0.37 0.16 0.69 0.61 -0.69 0.00 0.00 174.62 175.75 1g3i n GLY 60 N 2.93 -1.17 0.00 4.40 0.00 -1.26 -3.51 105.19 106.58 1g3i n GLY 60 Ca 0.06 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1g3i n GLY 60 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1g3i n VAL 61 N -3.02 0.63 0.00 1.61 0.24 -1.26 -2.19 118.33 114.34 1g3i n VAL 61 Ca -0.16 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 1g3i n VAL 61 Cb 0.61 0.72 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 1g3i n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1g3i n GLY 62 N -0.31 1.15 0.23 7.63 0.00 -1.26 -4.86 105.19 107.77 1g3i n GLY 62 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1g3i n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g3i n LYS 63 N 0.00 -0.10 0.02 1.61 5.02 -1.26 -0.89 118.16 122.56 1g3i n LYS 63 Ca 0.00 0.98 -0.18 0.00 -2.02 0.00 0.00 58.31 57.08 1g3i n LYS 63 Cb 0.00 -1.45 -0.12 0.00 -0.02 0.00 0.00 35.03 33.43 1g3i n LYS 63 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1g3i h THR 64 N 0.00 1.44 0.31 -0.18 2.02 -1.99 -2.98 112.91 111.53 1g3i h THR 64 Ca 0.26 -2.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.21 1g3i h THR 64 Cb 0.42 2.76 -0.02 0.00 -1.74 0.00 0.00 68.15 69.57 1g3i h THR 64 CO -0.64 0.65 -0.35 -0.33 0.37 0.00 0.00 175.52 175.22 1g3i h GLU 65 N -0.14 -0.65 -0.91 6.66 4.39 -1.44 1.16 114.58 123.66 1g3i h GLU 65 Ca -0.10 0.04 0.21 0.00 0.34 0.00 0.00 59.36 59.85 1g3i h GLU 65 Cb 1.45 0.15 -0.17 0.00 -0.10 0.00 0.00 28.75 30.07 1g3i h GLU 65 CO 0.14 -0.43 -0.12 -0.89 -1.16 0.00 0.00 179.01 176.55 1g3i n ILE 66 N -4.49 -0.38 -0.05 3.13 5.41 -0.27 0.78 119.36 123.48 1g3i n ILE 66 Ca -0.08 2.05 -0.13 0.00 1.00 0.00 0.00 62.75 65.58 1g3i n ILE 66 Cb 0.31 -2.90 -0.07 0.00 -0.71 0.00 0.00 39.64 36.27 1g3i n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i h ALA 67 N 1.82 0.21 -0.53 -1.39 0.00 -0.70 0.15 119.26 118.81 1g3i h ALA 67 Ca 0.49 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 55.07 1g3i h ALA 67 Cb 0.87 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1g3i h ALA 67 CO -0.90 0.13 0.32 -0.09 0.00 0.00 0.00 179.25 178.71 1g3i h ARG 68 N -0.02 0.62 -0.02 0.00 2.43 0.45 -1.52 114.38 116.32 1g3i h ARG 68 Ca 0.02 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1g3i h ARG 68 Cb 0.74 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1g3i h ARG 68 CO 0.04 0.41 0.01 0.00 -1.51 0.00 0.00 179.97 178.92 1g3i h ARG 69 N 0.64 0.02 -0.46 0.20 2.47 0.44 -0.60 114.38 117.09 1g3i h ARG 69 Ca 0.21 -0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.98 1g3i h ARG 69 Cb 0.00 -0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.23 1g3i h ARG 69 CO -0.08 0.19 -0.53 1.25 0.56 0.00 0.00 179.97 181.36 1g3i h LEU 70 N -0.15 -1.77 -0.62 3.04 5.85 -0.32 0.68 115.31 122.02 1g3i h LEU 70 Ca 0.01 0.25 0.13 0.00 0.84 0.00 0.00 57.88 59.10 1g3i h LEU 70 Cb 0.18 0.74 -0.11 0.00 0.37 0.00 0.00 40.66 41.84 1g3i h LEU 70 CO -0.00 -0.38 -0.08 0.00 -0.34 0.00 0.00 178.44 177.63 1g3i h ALA 71 N 0.15 0.51 -0.19 1.25 0.00 -1.04 -1.34 119.26 118.59 1g3i h ALA 71 Ca 0.10 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1g3i h ALA 71 Cb 0.58 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1g3i h ALA 71 CO -0.63 -0.42 0.10 -0.22 0.00 0.00 0.00 179.25 178.09 1g3i h LYS 72 N 0.05 0.21 0.00 0.00 1.63 0.12 -0.02 116.57 118.56 1g3i h LYS 72 Ca 0.31 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 1g3i h LYS 72 Cb 0.50 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 1g3i h LYS 72 CO -0.59 0.14 0.00 1.47 -3.45 0.00 0.00 179.45 177.02 1g3i n LEU 73 N -4.99 0.28 -0.67 5.20 -0.00 0.20 -0.98 117.00 116.04 1g3i n LEU 73 Ca -0.03 0.57 0.07 0.00 -0.00 0.00 0.00 56.01 56.62 1g3i n LEU 73 Cb 0.05 -0.52 0.10 0.00 -0.00 0.00 0.00 43.42 43.04 1g3i n LEU 73 CO 0.32 -0.35 0.54 0.00 -0.00 0.00 0.00 177.39 177.90 1g3i n ALA 74 N -1.61 2.41 -3.72 1.47 0.00 -0.64 -4.98 120.51 113.43 1g3i n ALA 74 Ca 0.03 -0.78 -0.30 0.00 0.00 0.00 0.00 53.44 52.39 1g3i n ALA 74 Cb 0.21 -0.53 0.03 0.00 0.00 0.00 0.00 19.45 19.17 1g3i n ALA 74 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1g3i n ASN 75 N 0.84 -4.23 -4.34 0.00 5.15 -0.14 -4.97 115.26 107.57 1g3i n ASN 75 Ca 0.11 -1.00 -0.26 0.00 -0.60 0.00 0.00 54.58 52.83 1g3i n ASN 75 Cb 0.40 -3.39 -0.13 0.00 -0.53 0.00 0.00 39.78 36.14 1g3i n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1g3i s ALA 76 N -3.56 2.10 0.07 5.20 0.00 -0.52 -5.04 121.76 120.01 1g3i s ALA 76 Ca 0.37 -1.38 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 1g3i s ALA 76 Cb -0.13 -0.30 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 1g3i s ALA 76 CO 0.86 0.43 1.83 -2.14 0.00 0.00 0.00 175.76 176.74 1g3i s PRO 77 N -2.08 4.15 0.09 0.00 0.02 -1.24 -4.70 135.00 131.24 1g3i s PRO 77 Ca 0.11 2.52 0.07 0.00 0.02 0.00 0.00 61.00 63.72 1g3i s PRO 77 Cb -0.10 -3.82 -0.03 0.00 0.02 0.00 0.00 34.50 30.57 1g3i s PRO 77 CO 0.05 -0.86 -0.18 0.12 -0.33 0.00 0.00 177.00 175.80 1g3i s PHE 78 N 3.42 1.58 -0.22 6.54 5.36 -1.26 -1.54 117.98 131.86 1g3i s PHE 78 Ca 0.81 -0.43 -0.18 0.00 -0.96 0.00 0.00 56.93 56.18 1g3i s PHE 78 Cb -0.43 -0.88 0.06 0.00 -0.34 0.00 0.00 43.02 41.44 1g3i s PHE 78 CO 0.37 0.15 0.57 -1.50 -1.46 0.00 0.00 175.22 173.35 1g3i s ILE 79 N -1.17 -0.00 0.03 3.12 1.10 -0.97 -4.95 121.20 118.36 1g3i s ILE 79 Ca 0.04 0.01 0.07 0.00 -0.51 0.00 0.00 60.65 60.25 1g3i s ILE 79 Cb -0.10 -0.81 -0.03 0.00 0.15 0.00 0.00 42.46 41.67 1g3i s ILE 79 CO 0.03 0.01 -0.18 -0.75 -2.11 0.00 0.00 174.94 171.94 1g3i s LYS 80 N 0.68 2.14 -0.10 3.50 2.20 -1.26 -0.14 119.74 126.76 1g3i s LYS 80 Ca -0.03 -0.94 -0.10 0.00 -0.36 0.00 0.00 55.97 54.54 1g3i s LYS 80 Cb -0.05 -2.21 0.03 0.00 -1.51 0.00 0.00 37.83 34.09 1g3i s LYS 80 CO -0.05 0.55 0.28 0.14 -0.36 0.00 0.00 175.35 175.92 1g3i s VAL 81 N -0.89 0.01 0.21 4.02 -7.23 -0.07 -4.95 120.40 111.49 1g3i s VAL 81 Ca 0.14 -0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 59.95 1g3i s VAL 81 Cb -0.10 -0.42 -0.08 0.00 0.56 0.00 0.00 36.38 36.33 1g3i s VAL 81 CO 0.05 -0.04 1.14 -0.70 -0.31 0.00 0.00 175.10 175.24 1g3i s GLU 82 N -0.03 4.56 0.32 4.82 2.56 -1.26 -0.58 118.70 129.10 1g3i s GLU 82 Ca -0.02 1.81 0.03 0.00 0.00 0.00 0.00 54.97 56.79 1g3i s GLU 82 Cb -0.02 -3.24 0.55 0.00 2.00 0.00 0.00 34.13 33.42 1g3i s GLU 82 CO 0.01 0.05 1.86 0.00 -0.56 0.00 0.00 175.26 176.62 1g3i h ALA 83 N 4.79 1.33 0.00 6.30 0.00 -1.48 -2.18 119.26 128.02 1g3i h ALA 83 Ca -0.45 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1g3i h ALA 83 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1g3i h ALA 83 CO 0.72 0.47 0.00 0.25 0.00 0.00 0.00 179.25 180.68 1g3i n THR 84 N -4.28 0.63 0.30 0.00 -2.24 -1.26 -3.18 114.28 104.25 1g3i n THR 84 Ca 0.02 0.16 0.19 0.00 -2.27 0.00 0.00 64.05 62.15 1g3i n THR 84 Cb 0.24 -0.83 1.01 0.00 -2.10 0.00 0.00 70.33 68.65 1g3i n THR 84 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1g3i h LYS 85 N 0.00 0.00 -0.41 -0.78 3.64 -1.78 -2.45 116.57 114.79 1g3i h LYS 85 Ca 0.00 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.23 1g3i h LYS 85 Cb 0.30 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.03 1g3i h LYS 85 CO 0.00 0.00 0.05 1.19 -2.27 0.00 0.00 179.45 178.42 1g3i n PHE 86 N -3.40 1.34 0.94 1.91 3.01 -1.19 -4.94 117.46 115.13 1g3i n PHE 86 Ca -0.02 -1.32 -0.01 0.00 1.01 0.00 0.00 57.45 57.12 1g3i n PHE 86 Cb 0.17 -0.49 0.01 0.00 -0.01 0.00 0.00 39.48 39.16 1g3i n PHE 86 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1g3i n THR 87 N -0.81 0.97 -2.53 4.37 -1.04 -0.93 -4.80 114.28 109.53 1g3i n THR 87 Ca 0.32 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.87 1g3i n THR 87 Cb 1.08 -0.94 -0.03 0.00 -1.82 0.00 0.00 70.33 68.62 1g3i n THR 87 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1g3i s GLU 95 N -0.17 3.29 0.30 -2.82 2.56 -1.26 -5.10 118.70 115.50 1g3i s GLU 95 Ca 0.02 0.03 0.00 0.00 0.00 0.00 0.00 54.97 55.02 1g3i s GLU 95 Cb 0.01 -4.13 0.51 0.00 2.00 0.00 0.00 34.13 32.52 1g3i s GLU 95 CO 0.00 -1.99 1.91 -0.24 -0.56 0.00 0.00 175.26 174.38 1g3i h VAL 96 N 6.14 1.08 -0.17 3.70 3.04 -1.96 0.19 116.25 128.27 1g3i h VAL 96 Ca -0.27 -0.36 0.05 0.00 -1.01 0.00 0.00 66.70 65.11 1g3i h VAL 96 Cb 1.06 -0.07 -0.01 0.00 -2.01 0.00 0.00 31.29 30.26 1g3i h VAL 96 CO 1.24 0.19 0.32 0.44 -1.01 0.00 0.00 177.57 178.75 1g3i h ASP 97 N 1.06 0.00 -0.79 3.17 3.32 -2.01 -1.41 116.42 119.75 1g3i h ASP 97 Ca 0.39 0.00 0.17 0.00 0.02 0.00 0.00 57.03 57.61 1g3i h ASP 97 Cb 0.17 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.62 1g3i h ASP 97 CO -0.14 0.00 0.29 0.77 -1.72 0.00 0.00 179.24 178.44 1g3i h SER 98 N 0.00 0.22 -0.91 6.45 4.64 -1.38 -1.56 113.55 121.02 1g3i h SER 98 Ca 0.08 0.13 0.10 0.00 -0.47 0.00 0.00 61.79 61.64 1g3i h SER 98 Cb 0.73 0.13 -0.13 0.00 -0.31 0.00 0.00 62.40 62.82 1g3i h SER 98 CO -0.00 0.04 -0.52 0.40 -0.87 0.00 0.00 176.83 175.88 1g3i h ILE 99 N 0.39 0.01 0.00 0.95 2.04 -1.44 0.76 117.51 120.22 1g3i h ILE 99 Ca 0.45 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.27 1g3i h ILE 99 Cb 0.76 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1g3i h ILE 99 CO -0.47 0.00 -0.21 0.40 0.00 0.00 0.00 178.15 177.87 1g3i h ILE 100 N -0.05 1.04 0.47 -0.67 1.08 -1.49 -0.30 117.51 117.58 1g3i h ILE 100 Ca 0.21 -0.75 -0.02 0.00 -0.39 0.00 0.00 64.86 63.90 1g3i h ILE 100 Cb 0.49 1.42 0.00 0.00 -3.07 0.00 0.00 36.82 35.66 1g3i h ILE 100 CO -0.90 0.21 -0.22 -0.09 -0.69 0.00 0.00 178.15 176.45 1g3i h ARG 101 N 0.00 -0.60 -0.94 2.37 2.43 0.70 -1.71 114.38 116.63 1g3i h ARG 101 Ca -0.00 0.04 0.20 0.00 -0.81 0.00 0.00 59.98 59.41 1g3i h ARG 101 Cb 0.40 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 30.01 1g3i h ARG 101 CO 0.03 -0.40 0.61 -0.44 -1.51 0.00 0.00 179.97 178.25 1g3i h ASP 102 N -0.92 0.52 0.70 -3.80 3.45 0.15 0.54 116.42 117.06 1g3i h ASP 102 Ca -0.06 0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.42 1g3i h ASP 102 Cb 0.48 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.22 1g3i h ASP 102 CO 0.10 0.20 -0.35 0.25 -1.57 0.00 0.00 179.24 177.87 1g3i h LEU 103 N 0.52 -0.84 -1.40 1.55 5.85 -0.98 -0.86 115.31 119.14 1g3i h LEU 103 Ca 0.50 0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.36 1g3i h LEU 103 Cb 1.10 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 1g3i h LEU 103 CO -0.23 -0.59 0.50 0.74 -0.34 0.00 0.00 178.44 178.52 1g3i h THR 104 N -0.96 0.92 -0.66 1.05 2.02 -0.24 0.14 112.91 115.18 1g3i h THR 104 Ca -0.09 -0.23 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1g3i h THR 104 Cb 0.75 0.21 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1g3i h THR 104 CO 0.15 0.12 0.30 -0.78 0.37 0.00 0.00 175.52 175.68 1g3i h ASP 105 N 0.66 0.86 -0.21 4.18 3.58 -0.43 -1.87 116.42 123.19 1g3i h ASP 105 Ca 0.36 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.64 1g3i h ASP 105 Cb 0.50 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1g3i h ASP 105 CO -0.13 0.74 -0.13 -1.28 -2.88 0.00 0.00 179.24 175.56 1g3i h SER 106 N 0.94 0.48 -0.61 2.28 0.87 0.64 -2.95 113.55 115.20 1g3i h SER 106 Ca 0.23 -0.43 0.13 0.00 -1.23 0.00 0.00 61.79 60.48 1g3i h SER 106 Cb 0.12 -0.13 -0.11 0.00 -0.44 0.00 0.00 62.40 61.84 1g3i h SER 106 CO -0.03 0.81 -0.09 0.00 -0.53 0.00 0.00 176.83 176.99 1g3i h ALA 107 N 0.68 0.49 0.20 6.23 0.00 -0.65 0.33 119.26 126.54 1g3i h ALA 107 Ca 0.04 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1g3i h ALA 107 Cb 0.64 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1g3i h ALA 107 CO 0.04 -0.42 -0.45 0.52 0.00 0.00 0.00 179.25 178.94 1g3i h MET 108 N 0.04 -0.71 -0.25 0.00 2.07 -1.24 0.41 114.93 115.26 1g3i h MET 108 Ca 0.31 0.05 0.07 0.00 -2.07 0.00 0.00 59.70 58.06 1g3i h MET 108 Cb 0.49 0.16 -0.01 0.00 -1.87 0.00 0.00 31.60 30.37 1g3i h MET 108 CO -0.59 -0.47 0.29 -0.22 1.07 0.00 0.00 176.91 176.99 1g3i h LYS 109 N -0.73 0.00 0.17 1.72 3.64 -1.02 -1.07 116.57 119.28 1g3i h LYS 109 Ca 0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 1g3i h LYS 109 Cb 0.73 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1g3i h LYS 109 CO -0.21 0.00 -1.50 1.25 -2.27 0.00 0.00 179.45 176.72 1g3i h LEU 110 N 0.00 0.57 0.27 5.20 5.85 0.12 -2.58 115.31 124.74 1g3i h LEU 110 Ca 0.12 -0.70 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 1g3i h LEU 110 Cb 0.71 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1g3i h LEU 110 CO -0.00 1.57 -0.13 0.58 -0.34 0.00 0.00 178.44 180.12 1g3i h VAL 111 N 0.10 0.06 -0.40 1.05 2.07 0.42 -3.18 116.25 116.36 1g3i h VAL 111 Ca -0.24 -0.77 0.12 0.00 0.82 0.00 0.00 66.70 66.63 1g3i h VAL 111 Cb 2.07 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1g3i h VAL 111 CO 0.21 0.02 0.35 -0.09 0.02 0.00 0.00 177.57 178.07 1g3i h ARG 112 N -1.09 0.00 -0.78 1.57 2.43 -1.41 0.38 114.38 115.49 1g3i h ARG 112 Ca -0.04 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1g3i h ARG 112 Cb 0.30 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1g3i h ARG 112 CO 0.06 0.00 0.42 0.37 -1.51 0.00 0.00 179.97 179.31 1g3i h GLN 113 N 0.00 1.10 -0.33 0.20 4.15 -1.50 -2.17 115.11 116.55 1g3i h GLN 113 Ca 0.19 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1g3i h GLN 113 Cb 0.88 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.36 1g3i h GLN 113 CO -0.00 0.82 0.00 0.00 -1.93 0.00 0.00 178.83 177.72 1g3i n GLN 114 N -4.41 2.18 -0.37 1.69 10.64 0.11 -3.92 117.38 123.30 1g3i n GLN 114 Ca 0.07 -1.79 0.09 0.00 -1.83 0.00 0.00 57.00 53.54 1g3i n GLN 114 Cb 0.10 -1.45 0.27 0.00 -0.86 0.00 0.00 30.24 28.30 1g3i n GLN 114 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1g3i n GLU 115 N 1.00 3.05 -0.00 2.61 4.07 0.13 -3.83 120.64 127.67 1g3i n GLU 115 Ca 0.18 -2.53 0.06 0.00 -0.06 0.00 0.00 57.16 54.81 1g3i n GLU 115 Cb 0.48 -1.57 -0.09 0.00 -0.06 0.00 0.00 31.44 30.20 1g3i n GLU 115 CO 0.00 0.00 0.00 0.44 -0.06 0.00 0.00 177.13 177.51 1g3i n ILE 116 N 0.95 0.00 0.05 6.31 -6.64 -1.19 -3.81 119.36 115.03 1g3i n ILE 116 Ca 0.20 -0.27 -0.22 0.00 -1.77 0.00 0.00 62.75 60.70 1g3i n ILE 116 Cb 0.65 0.44 -0.15 0.00 -1.44 0.00 0.00 39.64 39.14 1g3i n ILE 116 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1g3i h ALA 117 N 1.30 0.25 -0.61 -1.28 0.00 -1.79 -3.26 119.26 113.88 1g3i h ALA 117 Ca 0.00 -1.22 -0.07 0.00 0.00 0.00 0.00 54.91 53.62 1g3i h ALA 117 Cb 0.49 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1g3i h ALA 117 CO 0.00 1.12 0.12 -0.22 0.00 0.00 0.00 179.25 180.27 1g3i h LYS 118 N 0.10 0.99 -1.43 0.00 3.64 -1.78 -2.86 116.57 115.23 1g3i h LYS 118 Ca -0.37 -0.26 -0.34 0.00 -1.27 0.00 0.00 60.65 58.41 1g3i h LYS 118 Cb 2.08 -0.12 -0.15 0.00 -0.41 0.00 0.00 32.23 33.63 1g3i h LYS 118 CO 0.15 0.92 0.45 0.09 -2.27 0.00 0.00 179.45 178.79 1g3i n ASN 119 N -4.31 6.25 -0.02 4.20 4.13 -1.25 -3.78 115.26 120.48 1g3i n ASN 119 Ca 0.03 -3.10 0.08 0.00 1.68 0.00 0.00 54.58 53.27 1g3i n ASN 119 Cb 0.26 -1.01 -0.16 0.00 -1.54 0.00 0.00 39.78 37.33 1g3i n ASN 119 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1g3i n ARG 120 N 0.18 0.66 -0.05 3.52 3.00 -1.08 -4.66 116.66 118.24 1g3i n ARG 120 Ca 0.33 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.85 58.00 1g3i n ARG 120 Cb 0.64 -1.51 -0.01 0.00 0.00 0.00 0.00 32.46 31.58 1g3i n ARG 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1g3i n ALA 121 N -2.32 -0.07 0.00 5.13 0.00 -1.25 -5.13 120.51 116.88 1g3i n ALA 121 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1g3i n ALA 121 Cb 0.64 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.31 1g3i n ALA 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1g3i n ARG 122 N -2.99 0.00 0.00 0.00 1.74 -1.26 -5.24 116.66 108.91 1g3i n ARG 122 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1g3i n ARG 122 Cb 0.03 -0.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 1g3i n ARG 122 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1g3i n ILE 235 N -2.22 0.00 -0.75 0.55 5.41 -1.26 -5.09 119.36 116.00 1g3i n ILE 235 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1g3i n ILE 235 Cb 0.29 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.22 1g3i n ILE 235 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1g3i n ASN 236 N 0.00 -1.00 -0.70 4.38 5.15 -1.26 -4.79 115.26 117.05 1g3i n ASN 236 Ca 0.00 0.00 0.53 0.00 -0.60 0.00 0.00 54.58 54.51 1g3i n ASN 236 Cb 0.00 -0.42 0.81 0.00 -0.53 0.00 0.00 39.78 39.64 1g3i n ASN 236 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1g3i n PRO 237 N -0.57 -0.00 0.00 1.20 -0.02 -1.26 0.44 135.00 134.78 1g3i n PRO 237 Ca 0.00 1.10 0.07 0.00 -2.02 0.00 0.00 63.50 62.65 1g3i n PRO 237 Cb 0.25 -2.51 0.36 0.00 -0.02 0.00 0.00 33.50 31.58 1g3i n PRO 237 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1g3i n GLU 238 N -4.00 0.16 -0.07 -0.52 -0.58 -1.26 -2.80 120.64 111.57 1g3i n GLU 238 Ca 0.44 0.17 -0.16 0.00 -0.42 0.00 0.00 57.16 57.20 1g3i n GLU 238 Cb 1.99 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 31.31 1g3i n GLU 238 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1g3i n GLU 239 N -1.33 0.32 0.00 3.49 2.13 0.17 -4.28 120.64 121.13 1g3i n GLU 239 Ca 0.06 0.14 0.00 0.00 0.66 0.00 0.00 57.16 58.02 1g3i n GLU 239 Cb 0.13 -1.03 0.00 0.00 0.27 0.00 0.00 31.44 30.81 1g3i n GLU 239 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1g3i n LEU 240 N -3.68 0.00 -0.38 4.31 7.94 -1.08 0.41 117.00 124.52 1g3i n LEU 240 Ca -0.29 0.68 -0.03 0.00 -1.11 0.00 0.00 56.01 55.25 1g3i n LEU 240 Cb 0.70 -0.19 0.01 0.00 0.53 0.00 0.00 43.42 44.47 1g3i n LEU 240 CO 0.02 -0.19 0.55 0.29 -1.11 0.00 0.00 177.39 176.94 1g3i n LYS 241 N -1.76 -0.28 0.32 1.96 5.02 -1.12 0.38 118.16 122.68 1g3i n LYS 241 Ca 0.00 1.49 0.11 0.00 -2.02 0.00 0.00 58.31 57.89 1g3i n LYS 241 Cb 0.00 -2.21 0.59 0.00 -0.02 0.00 0.00 35.03 33.39 1g3i n LYS 241 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1g3i h GLN 242 N 0.00 0.00 0.00 1.97 5.75 -0.68 0.10 115.11 122.25 1g3i h GLN 242 Ca 0.30 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.67 1g3i h GLN 242 Cb 0.54 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 1g3i h GLN 242 CO -0.96 0.00 -0.92 1.17 -2.65 0.00 0.00 178.83 175.47 1g3i n LYS 243 N -2.72 0.51 -0.23 1.69 4.81 1.24 -3.31 118.16 120.15 1g3i n LYS 243 Ca -0.01 0.54 0.19 0.00 -0.87 0.00 0.00 58.31 58.16 1g3i n LYS 243 Cb 0.51 -1.71 0.51 0.00 0.02 0.00 0.00 35.03 34.36 1g3i n LYS 243 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1g3i h ALA 244 N -0.76 2.20 -0.70 3.14 0.00 -0.33 1.43 119.26 124.24 1g3i h ALA 244 Ca -0.18 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1g3i h ALA 244 Cb 0.92 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1g3i h ALA 244 CO -0.11 -0.47 0.27 0.82 0.00 0.00 0.00 179.25 179.76 1g3i h ILE 245 N 0.40 1.24 -0.42 0.00 2.04 -0.98 0.13 117.51 119.92 1g3i h ILE 245 Ca 0.45 -0.78 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 1g3i h ILE 245 Cb 1.12 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 1g3i h ILE 245 CO -0.16 0.31 -0.22 0.44 0.00 0.00 0.00 178.15 178.52 1g3i h ASP 246 N 1.02 0.92 0.02 1.72 3.45 0.16 -1.60 116.42 122.11 1g3i h ASP 246 Ca 0.23 -0.41 0.01 0.00 0.43 0.00 0.00 57.03 57.29 1g3i h ASP 246 Cb 0.21 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 1g3i h ASP 246 CO -0.02 1.13 -0.21 0.00 -1.57 0.00 0.00 179.24 178.57 1g3i h ALA 247 N 0.83 -0.70 -0.04 3.45 0.00 0.17 0.19 119.26 123.16 1g3i h ALA 247 Ca 0.09 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1g3i h ALA 247 Cb 0.79 0.66 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 1g3i h ALA 247 CO 0.06 -0.76 -0.46 0.28 0.00 0.00 0.00 179.25 178.38 1g3i h VAL 248 N -0.28 0.10 -0.87 0.00 2.07 -0.81 0.20 116.25 116.65 1g3i h VAL 248 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1g3i h VAL 248 Cb 0.29 0.10 -0.07 0.00 -1.52 0.00 0.00 31.29 30.10 1g3i h VAL 248 CO -0.13 0.00 0.57 -0.33 0.02 0.00 0.00 177.57 177.70 1g3i h GLU 249 N -0.58 0.55 0.00 1.57 5.08 -1.16 -2.45 114.58 117.59 1g3i h GLU 249 Ca 0.04 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 1g3i h GLU 249 Cb 0.67 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1g3i h GLU 249 CO -0.35 0.36 -0.41 1.96 -1.00 0.00 0.00 179.01 179.58 1g3i h GLN 250 N 0.57 0.00 -2.17 2.33 1.08 0.17 -3.38 115.11 113.71 1g3i h GLN 250 Ca 0.45 0.00 -0.55 0.00 -1.45 0.00 0.00 58.65 57.09 1g3i h GLN 250 Cb 0.87 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.89 1g3i h GLN 250 CO -0.19 0.50 -0.84 0.09 -0.95 0.00 0.00 178.83 177.44 1g3i n ASN 251 N -4.62 2.98 -4.89 1.46 3.02 0.62 -4.84 115.26 108.99 1g3i n ASN 251 Ca -0.12 -3.38 -0.36 0.00 -0.03 0.00 0.00 54.58 50.69 1g3i n ASN 251 Cb 0.35 -0.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.87 1g3i n ASN 251 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1g3i s GLY 252 N -2.90 2.20 -0.09 7.41 0.00 -0.92 -3.65 107.32 109.37 1g3i s GLY 252 Ca 0.44 -0.64 0.04 0.00 0.00 0.00 0.00 44.72 44.56 1g3i s GLY 252 CO -0.11 -0.43 -0.23 -0.42 0.00 0.00 0.00 173.10 171.91 1g3i s ILE 253 N -1.17 1.97 -0.14 0.90 -1.09 -0.59 0.00 121.20 121.09 1g3i s ILE 253 Ca 0.21 -0.97 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 1g3i s ILE 253 Cb -0.13 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 39.05 1g3i s ILE 253 CO 0.11 0.54 -0.20 -0.69 -1.23 0.00 0.00 174.94 173.47 1g3i s VAL 254 N 0.32 2.28 -0.38 2.92 1.01 -0.07 -2.29 120.40 124.18 1g3i s VAL 254 Ca -0.17 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1g3i s VAL 254 Cb -0.17 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.35 1g3i s VAL 254 CO 0.08 0.54 0.18 0.12 0.00 0.00 0.00 175.10 176.02 1g3i s PHE 255 N 0.73 3.34 -0.68 5.22 5.36 0.80 -1.26 117.98 131.49 1g3i s PHE 255 Ca -0.08 -1.64 -0.20 0.00 -0.96 0.00 0.00 56.93 54.05 1g3i s PHE 255 Cb -0.16 -2.70 0.11 0.00 -0.34 0.00 0.00 43.02 39.92 1g3i s PHE 255 CO 0.00 -0.82 0.85 0.42 -1.46 0.00 0.00 175.22 174.21 1g3i s ILE 256 N 1.37 4.71 0.66 3.12 1.01 -0.47 -0.89 121.20 130.71 1g3i s ILE 256 Ca 0.02 -1.00 -0.12 0.00 0.00 0.00 0.00 60.65 59.55 1g3i s ILE 256 Cb -0.22 -4.59 -0.01 0.00 0.01 0.00 0.00 42.46 37.66 1g3i s ILE 256 CO 0.01 -1.28 1.06 -0.62 0.00 0.00 0.00 174.94 174.11 1g3i s ASP 257 N 3.56 5.50 -1.00 3.58 2.15 0.25 -1.31 116.67 129.40 1g3i s ASP 257 Ca 0.18 1.69 -0.00 0.00 0.43 0.00 0.00 52.55 54.85 1g3i s ASP 257 Cb -0.18 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1g3i s ASP 257 CO 0.04 -1.36 0.01 -0.62 -0.17 0.00 0.00 175.17 173.07 1g3i n GLU 258 N -2.76 -0.96 0.20 4.34 1.02 -1.12 -1.43 120.64 119.94 1g3i n GLU 258 Ca 0.08 0.06 0.15 0.00 -0.02 0.00 0.00 57.16 57.42 1g3i n GLU 258 Cb 0.53 -2.32 0.62 0.00 -0.02 0.00 0.00 31.44 30.25 1g3i n GLU 258 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1g3i h ILE 259 N -0.80 0.00 0.00 -3.67 2.10 -1.27 0.29 117.51 114.16 1g3i h ILE 259 Ca -0.43 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.21 1g3i h ILE 259 Cb 0.90 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 37.77 1g3i h ILE 259 CO 0.46 0.00 0.00 -2.24 -1.08 0.00 0.00 178.15 175.29 1g3i h ASP 260 N 0.00 0.00 0.19 2.19 2.03 -1.87 -2.06 116.42 116.91 1g3i h ASP 260 Ca 0.00 0.00 -0.25 0.00 -0.73 0.00 0.00 57.03 56.05 1g3i h ASP 260 Cb 0.37 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.88 1g3i h ASP 260 CO 0.00 0.00 -1.00 0.11 -1.03 0.00 0.00 179.24 177.32 1g3i h LYS 261 N 0.00 0.54 -1.11 4.15 1.79 -1.29 -3.01 116.57 117.64 1g3i h LYS 261 Ca 0.00 -0.59 -0.12 0.00 -2.18 0.00 0.00 60.65 57.76 1g3i h LYS 261 Cb 0.24 0.17 -0.07 0.00 -1.58 0.00 0.00 32.23 31.00 1g3i h LYS 261 CO 0.00 1.22 0.15 0.44 -1.08 0.00 0.00 179.45 180.17 1g3i n ILE 262 N -3.79 1.60 -2.70 1.86 -5.35 -0.77 -4.76 119.36 105.44 1g3i n ILE 262 Ca -0.09 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 61.77 1g3i n ILE 262 Cb 0.86 -0.96 0.06 0.00 -1.74 0.00 0.00 39.64 37.86 1g3i n ILE 262 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g3i s LYS 264 N -3.78 2.78 0.00 0.00 0.00 -1.26 -4.53 119.74 112.95 1g3i s LYS 264 Ca 0.37 -1.04 0.00 0.00 0.00 0.00 0.00 55.97 55.30 1g3i s LYS 264 Cb -0.02 -2.52 0.00 0.00 0.00 0.00 0.00 37.83 35.29 1g3i s LYS 264 CO 0.24 0.43 0.00 0.36 0.00 0.00 0.00 175.35 176.38 1g3i n LYS 265 N -0.73 0.00 0.00 1.78 2.85 -1.26 -4.86 118.16 115.94 1g3i n LYS 265 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1g3i n LYS 265 Cb 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 1g3i n LYS 265 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1g3i n GLY 270 N 0.00 0.00 4.04 2.58 0.00 -1.26 -5.15 105.19 105.40 1g3i n GLY 270 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1g3i n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3i n ALA 271 N 0.00 0.00 -0.03 4.61 0.00 -1.26 -4.67 120.51 119.16 1g3i n ALA 271 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1g3i n ALA 271 Cb 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 19.45 18.99 1g3i n ALA 271 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1g3i n ASP 272 N 0.00 0.90 0.00 0.00 -0.08 -1.26 -3.57 116.55 112.54 1g3i n ASP 272 Ca 0.00 0.33 0.08 0.00 -1.51 0.00 0.00 54.79 53.70 1g3i n ASP 272 Cb 0.00 -0.01 0.37 0.00 2.34 0.00 0.00 41.12 43.82 1g3i n ASP 272 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1g3i n VAL 273 N -3.05 0.78 0.06 5.18 0.24 -1.26 -0.67 118.33 119.61 1g3i n VAL 273 Ca -0.21 0.20 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 1g3i n VAL 273 Cb 1.06 -0.90 -0.01 0.00 -1.47 0.00 0.00 33.84 32.52 1g3i n VAL 273 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1g3i h SER 274 N 0.00 0.51 0.00 -1.34 0.02 -1.94 -3.00 113.55 107.80 1g3i h SER 274 Ca 0.00 -0.37 -0.07 0.00 -0.84 0.00 0.00 61.79 60.50 1g3i h SER 274 Cb 0.28 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1g3i h SER 274 CO 0.00 1.15 -0.59 0.03 -1.14 0.00 0.00 176.83 176.28 1g3i h ARG 275 N 0.26 0.00 0.00 3.45 3.08 -1.30 -3.30 114.38 116.57 1g3i h ARG 275 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1g3i h ARG 275 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1g3i h ARG 275 CO 0.14 0.43 0.00 -1.91 -1.07 0.00 0.00 179.97 177.57 1g3i n GLU 276 N -4.59 0.00 -0.10 0.04 2.13 0.16 0.10 120.64 118.38 1g3i n GLU 276 Ca -0.14 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.50 1g3i n GLU 276 Cb 0.37 -1.24 -0.13 0.00 0.27 0.00 0.00 31.44 30.72 1g3i n GLU 276 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1g3i n GLY 277 N -0.62 -0.45 0.37 8.31 0.00 -1.13 -4.04 105.19 107.62 1g3i n GLY 277 Ca 0.00 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 45.91 1g3i n GLY 277 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1g3i h VAL 278 N 0.01 0.92 0.40 1.61 2.07 0.57 -0.03 116.25 121.80 1g3i h VAL 278 Ca -0.55 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1g3i h VAL 278 Cb 1.95 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1g3i h VAL 278 CO -0.05 0.14 -0.41 1.56 0.02 0.00 0.00 177.57 178.83 1g3i h GLN 279 N 0.76 -0.80 -0.44 1.57 4.20 -1.72 0.39 115.11 119.07 1g3i h GLN 279 Ca 0.41 0.05 0.13 0.00 0.06 0.00 0.00 58.65 59.30 1g3i h GLN 279 Cb 0.53 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 1g3i h GLN 279 CO -0.17 -0.53 0.34 0.00 -0.67 0.00 0.00 178.83 177.80 1g3i h ARG 280 N -0.83 0.00 -0.19 1.46 2.47 -1.41 0.42 114.38 116.30 1g3i h ARG 280 Ca -0.03 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.49 1g3i h ARG 280 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.06 1g3i h ARG 280 CO -0.07 0.00 -0.67 -0.44 0.56 0.00 0.00 179.97 179.35 1g3i h ASP 281 N 0.00 0.85 0.88 7.04 3.32 0.11 -3.22 116.42 125.40 1g3i h ASP 281 Ca 0.21 -0.51 -0.10 0.00 0.02 0.00 0.00 57.03 56.65 1g3i h ASP 281 Cb 0.89 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1g3i h ASP 281 CO -0.00 1.29 -0.45 -0.07 -1.72 0.00 0.00 179.24 178.29 1g3i h LEU 282 N 0.53 0.00 0.00 1.55 3.38 0.18 -3.38 115.31 117.58 1g3i h LEU 282 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1g3i h LEU 282 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1g3i h LEU 282 CO 0.14 0.45 0.00 0.18 0.09 0.00 0.00 178.44 179.30 1g3i n LEU 283 N -3.54 0.00 -0.18 1.67 4.77 -0.81 -0.62 117.00 118.29 1g3i n LEU 283 Ca -0.00 0.97 0.16 0.00 -0.03 0.00 0.00 56.01 57.11 1g3i n LEU 283 Cb 0.57 -0.47 0.30 0.00 -2.33 0.00 0.00 43.42 41.49 1g3i n LEU 283 CO 0.38 -0.47 0.57 -2.65 -1.33 0.00 0.00 177.39 173.89 1g3i n PRO 284 N -2.84 -0.04 0.00 3.23 -0.02 -1.26 0.13 135.00 134.21 1g3i n PRO 284 Ca 0.00 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1g3i n PRO 284 Cb 0.00 -1.38 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 1g3i n PRO 284 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1g3i n LEU 285 N -4.34 0.34 -0.26 2.45 4.32 0.20 -1.16 117.00 118.56 1g3i n LEU 285 Ca 0.20 0.66 -0.00 0.00 -0.02 0.00 0.00 56.01 56.84 1g3i n LEU 285 Cb 0.67 -0.36 0.06 0.00 -1.62 0.00 0.00 43.42 42.17 1g3i n LEU 285 CO -0.00 -0.36 0.67 0.58 -1.22 0.00 0.00 177.39 177.06 1g3i h VAL 286 N 0.00 0.19 0.00 4.08 2.07 0.24 0.25 116.25 123.08 1g3i h VAL 286 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1g3i h VAL 286 Cb 0.00 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1g3i h VAL 286 CO 0.00 0.00 0.00 -0.33 0.02 0.00 0.00 177.57 177.26 1g3i h GLU 287 N -0.05 0.00 -0.59 1.57 5.08 0.97 -3.47 114.58 118.10 1g3i h GLU 287 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1g3i h GLU 287 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1g3i h GLU 287 CO -0.78 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 177.64 1g3i n GLY 288 N -0.64 -0.34 0.00 -3.84 0.00 0.87 -4.92 105.19 96.33 1g3i n GLY 288 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1g3i n GLY 288 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g3i n SER 289 N 0.00 0.00 -4.23 1.61 3.41 -0.77 -4.79 113.62 108.85 1g3i n SER 289 Ca 0.00 -0.87 -0.27 0.00 -0.26 0.00 0.00 58.87 57.47 1g3i n SER 289 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1g3i n SER 289 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1g3i s THR 290 N -2.32 1.65 -0.01 6.66 2.01 -1.26 -1.20 115.64 121.17 1g3i s THR 290 Ca 0.00 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.12 1g3i s THR 290 Cb 0.00 -1.37 -0.00 0.00 0.01 0.00 0.00 72.50 71.13 1g3i s THR 290 CO 0.00 0.46 -0.09 0.68 -0.69 0.00 0.00 174.62 174.99 1g3i s VAL 291 N -0.50 0.71 0.00 3.82 -7.23 -0.39 -4.98 120.40 111.84 1g3i s VAL 291 Ca 0.08 -0.35 -0.30 0.00 -1.81 0.00 0.00 61.98 59.59 1g3i s VAL 291 Cb -0.08 -0.61 -0.03 0.00 0.56 0.00 0.00 36.38 36.22 1g3i s VAL 291 CO -0.01 0.21 1.02 -0.55 -0.31 0.00 0.00 175.10 175.46 1g3i s SER 292 N -0.03 7.31 0.24 4.85 0.15 -1.26 -2.17 113.70 122.80 1g3i s SER 292 Ca 0.01 1.71 0.12 0.00 0.70 0.00 0.00 55.95 58.49 1g3i s SER 292 Cb -0.05 -2.57 -0.05 0.00 -1.71 0.00 0.00 66.02 61.64 1g3i s SER 292 CO -0.00 -0.31 -0.21 0.42 1.20 0.00 0.00 173.24 174.34 1g3i s THR 293 N 1.08 2.40 -2.00 6.45 -4.23 0.16 -4.90 115.64 114.61 1g3i s THR 293 Ca 0.53 -2.25 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1g3i s THR 293 Cb -0.22 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.42 1g3i s THR 293 CO 0.28 -0.29 0.30 2.29 -0.54 0.00 0.00 174.62 176.66 1g3i n LYS 294 N -0.25 0.23 0.00 3.99 2.85 -1.26 0.42 118.16 124.14 1g3i n LYS 294 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 1g3i n LYS 294 Cb 0.58 -1.05 -0.00 0.00 -0.65 0.00 0.00 35.03 33.91 1g3i n LYS 294 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1g3i n HIS 295 N -0.55 0.00 0.00 5.58 8.25 -1.26 -5.11 115.22 122.13 1g3i n HIS 295 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1g3i n HIS 295 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1g3i n HIS 295 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1g3i n GLY 296 N 0.64 0.89 3.70 -1.41 0.00 0.17 -4.68 105.19 104.49 1g3i n GLY 296 Ca 0.00 -1.96 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 1g3i n GLY 296 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1g3i s MET 297 N -1.59 4.20 0.14 1.61 -1.94 -1.26 0.40 119.30 120.85 1g3i s MET 297 Ca 0.00 0.02 0.10 0.00 -1.71 0.00 0.00 55.69 54.10 1g3i s MET 297 Cb 0.00 -3.47 -0.04 0.00 2.01 0.00 0.00 34.83 33.32 1g3i s MET 297 CO 0.00 0.14 -0.23 0.14 -0.01 0.00 0.00 175.02 175.06 1g3i s VAL 298 N 0.78 2.49 -0.25 -6.03 -7.23 -0.92 -4.98 120.40 104.26 1g3i s VAL 298 Ca 0.14 -1.75 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 1g3i s VAL 298 Cb -0.13 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.68 1g3i s VAL 298 CO 0.04 0.03 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.28 1g3i s LYS 299 N -2.27 2.99 0.00 4.82 1.02 -1.26 -1.26 119.74 123.78 1g3i s LYS 299 Ca 0.17 -0.88 0.12 0.00 0.02 0.00 0.00 55.97 55.40 1g3i s LYS 299 Cb -0.10 -3.03 0.54 0.00 -0.52 0.00 0.00 37.83 34.72 1g3i s LYS 299 CO 0.09 -0.36 1.34 0.25 -0.92 0.00 0.00 175.35 175.74 1g3i n THR 300 N 4.72 1.00 -0.31 2.17 -2.24 -0.34 -3.71 114.28 115.58 1g3i n THR 300 Ca -0.17 0.25 0.22 0.00 -2.27 0.00 0.00 64.05 62.08 1g3i n THR 300 Cb 0.48 -1.05 0.42 0.00 -2.10 0.00 0.00 70.33 68.08 1g3i n THR 300 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1g3i n ASP 301 N -1.41 0.12 -0.46 3.42 9.92 -1.26 -1.35 116.55 125.53 1g3i n ASP 301 Ca 0.04 1.56 0.06 0.00 -0.53 0.00 0.00 54.79 55.91 1g3i n ASP 301 Cb 0.12 -0.67 0.05 0.00 -0.64 0.00 0.00 41.12 39.98 1g3i n ASP 301 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1g3i n HIS 302 N -5.22 0.00 -1.70 1.24 8.25 -1.24 -4.71 115.22 111.83 1g3i n HIS 302 Ca 0.29 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.34 1g3i n HIS 302 Cb 0.97 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.09 1g3i n HIS 302 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1g3i n ILE 303 N 0.62 2.73 -3.39 1.59 2.08 -0.46 -4.74 119.36 117.79 1g3i n ILE 303 Ca 0.07 -0.50 -0.39 0.00 0.56 0.00 0.00 62.75 62.49 1g3i n ILE 303 Cb 0.29 -1.53 -0.08 0.00 -0.75 0.00 0.00 39.64 37.57 1g3i n ILE 303 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1g3i s LEU 304 N -1.80 4.09 -0.14 1.39 2.96 0.10 -4.84 118.68 120.46 1g3i s LEU 304 Ca 0.63 0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 54.89 1g3i s LEU 304 Cb -0.50 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 1g3i s LEU 304 CO 0.57 -0.14 0.03 -0.36 -1.32 0.00 0.00 176.35 175.13 1g3i s PHE 305 N 1.72 3.22 -0.16 5.38 0.40 -1.26 -0.90 117.98 126.38 1g3i s PHE 305 Ca 0.17 0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.61 1g3i s PHE 305 Cb -0.15 -1.94 0.04 0.00 0.51 0.00 0.00 43.02 41.48 1g3i s PHE 305 CO 0.09 0.30 -0.07 0.42 0.70 0.00 0.00 175.22 176.66 1g3i s ILE 306 N -0.24 1.24 -0.06 0.64 1.01 -0.39 -1.28 121.20 122.11 1g3i s ILE 306 Ca 0.07 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 1g3i s ILE 306 Cb -0.12 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 1g3i s ILE 306 CO 0.02 0.21 0.12 0.00 0.00 0.00 0.00 174.94 175.29 1g3i s ALA 307 N 1.59 3.76 0.28 9.38 0.00 0.14 -1.36 121.76 135.55 1g3i s ALA 307 Ca 0.02 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.29 1g3i s ALA 307 Cb -0.15 -1.79 -0.06 0.00 0.00 0.00 0.00 23.12 21.12 1g3i s ALA 307 CO -0.08 0.67 -0.06 -1.54 0.00 0.00 0.00 175.76 174.75 1g3i s SER 308 N -1.42 2.75 0.00 0.00 1.04 -0.43 -0.36 113.70 115.28 1g3i s SER 308 Ca 0.20 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1g3i s SER 308 Cb -0.12 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.83 1g3i s SER 308 CO 0.10 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1g3i n GLY 309 N -0.58 2.43 0.15 7.32 0.00 -0.99 -1.12 105.19 112.42 1g3i n GLY 309 Ca -0.05 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 1g3i n GLY 309 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3i h ALA 310 N 0.00 0.07 -5.94 4.61 0.00 -1.87 -0.68 119.26 115.46 1g3i h ALA 310 Ca 0.00 -0.62 -0.37 0.00 0.00 0.00 0.00 54.91 53.92 1g3i h ALA 310 Cb 0.00 0.05 0.12 0.00 0.00 0.00 0.00 17.79 17.96 1g3i h ALA 310 CO 0.00 0.45 -0.90 1.19 0.00 0.00 0.00 179.25 180.00 1g3i n PHE 311 N -4.10 -2.10 0.18 0.00 3.72 -1.26 -4.34 117.46 109.56 1g3i n PHE 311 Ca -0.11 0.64 0.11 0.00 -0.05 0.00 0.00 57.45 58.05 1g3i n PHE 311 Cb 0.75 -3.80 -0.02 0.00 -0.94 0.00 0.00 39.48 35.46 1g3i n PHE 311 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1g3i n GLN 312 N -3.87 0.55 -0.07 -1.08 10.64 -1.26 -4.53 117.38 117.76 1g3i n GLN 312 Ca -0.11 0.03 -0.13 0.00 -1.83 0.00 0.00 57.00 54.96 1g3i n GLN 312 Cb 0.61 -1.72 -0.05 0.00 -0.86 0.00 0.00 30.24 28.22 1g3i n GLN 312 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1g3i n VAL 313 N -2.45 0.76 -3.95 -0.39 0.24 -1.26 -5.03 118.33 106.26 1g3i n VAL 313 Ca -0.00 -0.23 -0.31 0.00 -2.04 0.00 0.00 64.34 61.76 1g3i n VAL 313 Cb 0.53 -1.45 -0.05 0.00 -1.47 0.00 0.00 33.84 31.41 1g3i n VAL 313 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g3i s ALA 314 N -2.26 3.90 0.33 2.33 0.00 -1.26 -5.11 121.76 119.68 1g3i s ALA 314 Ca -0.19 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 1g3i s ALA 314 Cb 0.07 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.42 1g3i s ALA 314 CO 0.27 0.80 0.55 1.03 0.00 0.00 0.00 175.76 178.40 1g3i s ARG 315 N -2.51 3.53 0.57 0.00 0.52 -1.26 -4.57 118.95 115.22 1g3i s ARG 315 Ca 0.34 -0.23 0.35 0.00 -0.52 0.00 0.00 55.73 55.67 1g3i s ARG 315 Cb -0.13 -2.66 1.56 0.00 0.52 0.00 0.00 34.95 34.24 1g3i s ARG 315 CO 0.27 0.17 2.06 -1.35 0.02 0.00 0.00 175.30 176.46 1g3i h PRO 316 N 1.06 0.00 -0.28 3.54 0.11 -1.99 -0.57 132.00 133.88 1g3i h PRO 316 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1g3i h PRO 316 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1g3i h PRO 316 CO 0.63 0.03 0.00 -1.13 -0.21 0.00 0.00 178.00 177.32 1g3i n SER 317 N -3.15 0.28 -0.09 -2.05 3.41 -1.26 -1.55 113.62 109.21 1g3i n SER 317 Ca -0.00 -1.07 0.06 0.00 -0.26 0.00 0.00 58.87 57.60 1g3i n SER 317 Cb 0.26 -0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.02 1g3i n SER 317 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1g3i n ASP 318 N -0.12 0.83 -4.34 4.04 9.92 -0.22 -4.97 116.55 121.69 1g3i n ASP 318 Ca 0.00 -0.91 -0.29 0.00 -0.53 0.00 0.00 54.79 53.05 1g3i n ASP 318 Cb 0.07 0.84 0.18 0.00 -0.64 0.00 0.00 41.12 41.57 1g3i n ASP 318 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1g3i s LEU 319 N -2.36 1.77 0.19 0.64 1.43 -0.59 -4.49 118.68 115.27 1g3i s LEU 319 Ca 0.06 0.71 -0.30 0.00 -1.03 0.00 0.00 54.13 53.57 1g3i s LEU 319 Cb 0.10 -2.78 -0.08 0.00 0.03 0.00 0.00 46.19 43.46 1g3i s LEU 319 CO 0.45 -3.09 1.11 0.27 0.23 0.00 0.00 176.35 175.33 1g3i s ILE 320 N -3.33 3.79 0.25 -0.59 -4.36 -1.26 -4.75 121.20 110.95 1g3i s ILE 320 Ca 0.68 1.56 -0.11 0.00 -0.26 0.00 0.00 60.65 62.52 1g3i s ILE 320 Cb -0.11 -4.00 0.36 0.00 1.25 0.00 0.00 42.46 39.96 1g3i s ILE 320 CO 0.54 0.27 1.58 -0.65 0.24 0.00 0.00 174.94 176.93 1g3i h PRO 321 N 5.02 -0.01 -0.87 0.37 0.11 -1.96 0.41 132.00 135.07 1g3i h PRO 321 Ca -0.45 0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.86 1g3i h PRO 321 Cb 1.21 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.16 1g3i h PRO 321 CO 0.72 -0.01 -0.12 0.93 -0.21 0.00 0.00 178.00 179.32 1g3i h GLU 322 N -0.01 0.02 0.08 1.05 3.07 -2.00 0.16 114.58 116.95 1g3i h GLU 322 Ca 0.40 -0.00 -0.27 0.00 -0.50 0.00 0.00 59.36 58.99 1g3i h GLU 322 Cb 0.63 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1g3i h GLU 322 CO -0.89 0.02 -1.32 1.25 -1.40 0.00 0.00 179.01 176.67 1g3i h LEU 323 N 0.02 0.25 -2.68 1.33 5.85 -1.01 -3.24 115.31 115.84 1g3i h LEU 323 Ca 0.45 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1g3i h LEU 323 Cb 0.78 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1g3i h LEU 323 CO -0.86 1.25 0.00 -0.61 -0.34 0.00 0.00 178.44 177.89 1g3i h GLN 324 N 0.04 0.00 -0.01 1.25 4.15 0.16 -0.99 115.11 119.71 1g3i h GLN 324 Ca -0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1g3i h GLN 324 Cb 1.93 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.62 1g3i h GLN 324 CO 0.16 0.00 -0.24 0.41 -1.93 0.00 0.00 178.83 177.22 1g3i n GLY 325 N -1.06 -0.03 1.23 2.39 0.00 -0.58 -4.05 105.19 103.09 1g3i n GLY 325 Ca -0.03 -0.43 0.12 0.00 0.00 0.00 0.00 46.02 45.69 1g3i n GLY 325 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g3i n ARG 326 N 0.06 2.59 -3.28 1.61 5.12 -0.40 -4.31 116.66 118.05 1g3i n ARG 326 Ca 0.07 -2.42 -0.26 0.00 -1.93 0.00 0.00 57.85 53.31 1g3i n ARG 326 Cb 0.33 -1.54 -0.07 0.00 -1.16 0.00 0.00 32.46 30.02 1g3i n ARG 326 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1g3i n LEU 327 N 1.57 2.94 0.21 0.55 4.77 -1.06 -4.39 117.00 121.59 1g3i n LEU 327 Ca 0.21 -5.30 -0.10 0.00 -0.03 0.00 0.00 56.01 50.79 1g3i n LEU 327 Cb 0.62 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1g3i n LEU 327 CO 0.16 2.13 0.52 -0.65 -1.33 0.00 0.00 177.39 178.21 1g3i h PRO 328 N 3.87 -0.60 -6.11 3.23 0.11 -1.74 -3.42 132.00 127.34 1g3i h PRO 328 Ca 0.15 0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.77 1g3i h PRO 328 Cb 0.70 0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 1g3i h PRO 328 CO 0.73 -0.40 1.33 0.42 -0.21 0.00 0.00 178.00 179.88 1g3i s ILE 329 N -4.55 3.40 -0.23 4.15 1.01 -1.18 -5.00 121.20 118.80 1g3i s ILE 329 Ca -0.10 0.34 -0.09 0.00 0.00 0.00 0.00 60.65 60.80 1g3i s ILE 329 Cb 0.02 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1g3i s ILE 329 CO 0.32 -0.60 0.12 -0.13 0.00 0.00 0.00 174.94 174.65 1g3i s ARG 330 N 6.40 3.93 -0.03 2.79 1.81 -1.26 -1.43 118.95 131.15 1g3i s ARG 330 Ca 0.75 -0.35 0.05 0.00 -1.72 0.00 0.00 55.73 54.46 1g3i s ARG 330 Cb -0.18 -3.43 -0.01 0.00 -0.45 0.00 0.00 34.95 30.89 1g3i s ARG 330 CO 0.28 0.01 -0.17 0.54 -0.68 0.00 0.00 175.30 175.28 1g3i s VAL 331 N 1.13 1.42 -0.04 3.52 0.11 -0.91 -4.99 120.40 120.65 1g3i s VAL 331 Ca 0.06 -0.73 -0.01 0.00 -2.93 0.00 0.00 61.98 58.37 1g3i s VAL 331 Cb -0.14 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.47 1g3i s VAL 331 CO 0.04 0.41 0.03 -0.70 -3.33 0.00 0.00 175.10 171.56 1g3i s GLU 332 N -0.11 2.98 0.10 1.54 2.12 -1.26 -1.46 118.70 122.60 1g3i s GLU 332 Ca -0.00 -0.48 0.08 0.00 0.36 0.00 0.00 54.97 54.93 1g3i s GLU 332 Cb -0.10 -2.80 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 1g3i s GLU 332 CO 0.01 0.67 -0.15 -0.51 -0.54 0.00 0.00 175.26 174.74 1g3i s LEU 333 N -1.37 2.83 0.38 2.70 1.02 0.13 -4.57 118.68 119.81 1g3i s LEU 333 Ca 0.18 -0.46 -0.01 0.00 0.02 0.00 0.00 54.13 53.86 1g3i s LEU 333 Cb -0.12 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 1g3i s LEU 333 CO 0.08 0.19 0.61 0.42 0.02 0.00 0.00 176.35 177.67 1g3i s THR 334 N -1.13 5.00 0.68 5.49 -4.23 -1.26 -4.34 115.64 115.85 1g3i s THR 334 Ca 0.19 -0.32 -0.16 0.00 -1.18 0.00 0.00 61.69 60.22 1g3i s THR 334 Cb -0.11 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 69.90 1g3i s THR 334 CO 0.11 -0.61 1.18 0.00 -0.54 0.00 0.00 174.62 174.75 1g3i s ALA 335 N -2.42 2.31 -0.06 3.99 0.00 -1.26 -4.76 121.76 119.54 1g3i s ALA 335 Ca 0.42 0.82 -0.21 0.00 0.00 0.00 0.00 51.96 52.99 1g3i s ALA 335 Cb -0.10 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 1g3i s ALA 335 CO 0.38 -1.55 0.59 -0.51 0.00 0.00 0.00 175.76 174.67 1g3i s LEU 336 N -4.84 4.33 0.49 0.00 1.02 -1.26 -5.06 118.68 113.36 1g3i s LEU 336 Ca 0.73 1.05 -0.00 0.00 0.02 0.00 0.00 54.13 55.93 1g3i s LEU 336 Cb -0.27 -2.90 0.01 0.00 0.02 0.00 0.00 46.19 43.05 1g3i s LEU 336 CO 0.41 -0.01 0.72 -0.55 0.02 0.00 0.00 176.35 176.95 1g3i s SER 337 N 0.43 5.66 0.13 2.29 0.15 -1.26 -4.90 113.70 116.20 1g3i s SER 337 Ca 0.32 0.25 -0.28 0.00 0.70 0.00 0.00 55.95 56.94 1g3i s SER 337 Cb -0.17 -1.37 -0.05 0.00 -1.71 0.00 0.00 66.02 62.72 1g3i s SER 337 CO 0.15 -0.86 1.60 0.00 1.20 0.00 0.00 173.24 175.33 1g3i h ALA 338 N 0.25 -0.51 -0.61 5.45 0.00 -1.96 0.58 119.26 122.46 1g3i h ALA 338 Ca -0.45 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.57 1g3i h ALA 338 Cb 1.26 0.67 -0.09 0.00 0.00 0.00 0.00 17.79 19.64 1g3i h ALA 338 CO 0.56 -0.87 0.13 0.00 0.00 0.00 0.00 179.25 179.08 1g3i h ALA 339 N 0.22 0.73 -0.01 0.00 0.00 -1.95 -0.79 119.26 117.47 1g3i h ALA 339 Ca 0.07 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1g3i h ALA 339 Cb 0.59 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1g3i h ALA 339 CO -0.34 -0.30 0.00 -0.44 0.00 0.00 0.00 179.25 178.17 1g3i h ASP 340 N 0.26 0.00 -0.77 0.00 3.32 -1.36 -2.68 116.42 115.20 1g3i h ASP 340 Ca 0.32 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.51 1g3i h ASP 340 Cb 0.49 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.94 1g3i h ASP 340 CO -0.41 0.00 0.33 -0.26 -1.72 0.00 0.00 179.24 177.18 1g3i h PHE 341 N 0.01 0.57 -1.23 4.55 0.04 0.13 0.30 116.94 121.31 1g3i h PHE 341 Ca 0.00 0.04 0.35 0.00 2.80 0.00 0.00 57.97 61.16 1g3i h PHE 341 Cb 0.00 -0.14 -0.07 0.00 2.20 0.00 0.00 35.95 37.95 1g3i h PHE 341 CO -0.08 0.10 0.86 0.93 -0.60 0.00 0.00 178.31 179.51 1g3i h GLU 342 N 0.49 0.10 0.09 1.51 5.08 -0.84 0.38 114.58 121.37 1g3i h GLU 342 Ca 0.42 -0.01 -0.32 0.00 -1.00 0.00 0.00 59.36 58.45 1g3i h GLU 342 Cb 0.62 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1g3i h GLU 342 CO -0.39 0.06 -1.77 0.54 -1.00 0.00 0.00 179.01 176.46 1g3i n ARG 343 N -4.31 0.70 0.29 2.33 1.74 0.97 -3.77 116.66 114.61 1g3i n ARG 343 Ca 0.28 0.36 0.16 0.00 -0.77 0.00 0.00 57.85 57.88 1g3i n ARG 343 Cb 1.24 -1.72 0.91 0.00 -1.02 0.00 0.00 32.46 31.87 1g3i n ARG 343 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1g3i h ILE 344 N -0.27 0.40 -0.04 0.55 1.08 -0.51 0.85 117.51 119.57 1g3i h ILE 344 Ca -0.40 -0.20 -0.09 0.00 -0.39 0.00 0.00 64.86 63.77 1g3i h ILE 344 Cb 1.80 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 36.68 1g3i h ILE 344 CO -0.01 0.04 -0.40 0.25 -0.69 0.00 0.00 178.15 177.34 1g3i h LEU 345 N 0.00 0.08 0.00 1.44 5.85 -0.37 -3.41 115.31 118.90 1g3i h LEU 345 Ca -0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1g3i h LEU 345 Cb 0.14 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.14 1g3i h LEU 345 CO 0.01 0.48 -0.26 0.35 -0.34 0.00 0.00 178.44 178.67 1g3i n THR 346 N -4.05 0.00 0.21 1.05 -2.24 -0.48 -3.31 114.28 105.46 1g3i n THR 346 Ca -0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.65 1g3i n THR 346 Cb 0.45 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.35 1g3i n THR 346 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1g3i h GLU 347 N 0.00 -0.56 -5.70 -0.78 5.08 -1.14 -3.44 114.58 108.05 1g3i h GLU 347 Ca 0.00 0.04 -0.72 0.00 -1.00 0.00 0.00 59.36 57.68 1g3i h GLU 347 Cb 0.26 0.13 0.06 0.00 0.50 0.00 0.00 28.75 29.70 1g3i h GLU 347 CO 0.00 -0.27 -0.11 -2.30 -1.00 0.00 0.00 179.01 175.33 1g3i n PRO 348 N -5.18 0.00 -1.66 2.33 -0.02 -1.26 -4.77 135.00 124.43 1g3i n PRO 348 Ca -0.09 0.00 -0.50 0.00 -2.02 0.00 0.00 63.50 60.89 1g3i n PRO 348 Cb 0.28 -1.29 -0.05 0.00 -0.02 0.00 0.00 33.50 32.42 1g3i n PRO 348 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1g3i n HIS 349 N 1.01 2.09 -2.98 6.00 8.25 -0.82 -1.34 115.22 127.42 1g3i n HIS 349 Ca 0.18 0.31 -0.12 0.00 -0.26 0.00 0.00 57.72 57.84 1g3i n HIS 349 Cb 0.12 -2.52 0.05 0.00 1.12 0.00 0.00 29.99 28.76 1g3i n HIS 349 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g3i n ALA 350 N 4.56 -0.98 -0.60 -1.41 0.00 -1.26 -4.97 120.51 115.84 1g3i n ALA 350 Ca 0.21 0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 1g3i n ALA 350 Cb 0.24 -2.48 0.26 0.00 0.00 0.00 0.00 19.45 17.47 1g3i n ALA 350 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1g3i s SER 351 N -3.51 0.14 0.05 0.00 1.04 -0.45 -4.67 113.70 106.29 1g3i s SER 351 Ca 0.16 1.04 -0.31 0.00 0.48 0.00 0.00 55.95 57.32 1g3i s SER 351 Cb -0.07 -1.55 -0.18 0.00 0.10 0.00 0.00 66.02 64.32 1g3i s SER 351 CO 0.43 -4.65 1.45 -0.07 0.98 0.00 0.00 173.24 171.37 1g3i h LEU 352 N -2.94 -0.76 -0.17 2.42 3.38 -1.79 0.54 115.31 115.99 1g3i h LEU 352 Ca -0.51 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.51 1g3i h LEU 352 Cb 1.33 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 42.22 1g3i h LEU 352 CO 0.39 -0.47 -0.25 0.71 0.09 0.00 0.00 178.44 178.91 1g3i h THR 353 N -1.01 0.40 -1.14 0.22 1.35 -1.91 0.76 112.91 111.57 1g3i h THR 353 Ca -0.09 0.00 0.32 0.00 -0.55 0.00 0.00 66.41 66.09 1g3i h THR 353 Cb 0.72 0.40 -0.07 0.00 -1.73 0.00 0.00 68.15 67.46 1g3i h THR 353 CO 0.15 0.00 0.78 -0.33 -0.25 0.00 0.00 175.52 175.87 1g3i h GLU 354 N -0.29 0.16 0.12 4.72 5.08 -1.75 -1.56 114.58 121.05 1g3i h GLU 354 Ca 0.11 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1g3i h GLU 354 Cb 0.47 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1g3i h GLU 354 CO -0.34 0.10 -0.06 1.96 -1.00 0.00 0.00 179.01 179.67 1g3i h GLN 355 N 0.16 -0.16 -0.26 2.33 4.20 0.28 -2.58 115.11 119.07 1g3i h GLN 355 Ca 0.59 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.37 1g3i h GLN 355 Cb 1.99 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 29.75 1g3i h GLN 355 CO -0.15 0.29 -0.13 1.88 -0.67 0.00 0.00 178.83 180.06 1g3i h TYR 356 N -0.90 -0.30 -0.22 2.96 0.99 -0.08 0.60 116.97 120.02 1g3i h TYR 356 Ca -0.02 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.77 1g3i h TYR 356 Cb 0.53 0.17 -0.04 0.00 1.00 0.00 0.00 36.73 38.39 1g3i h TYR 356 CO 0.10 -0.19 -0.26 0.87 -0.00 0.00 0.00 178.16 178.68 1g3i h LYS 357 N -0.09 -0.16 -1.19 4.88 1.57 -1.43 0.88 116.57 121.04 1g3i h LYS 357 Ca 0.14 0.01 0.34 0.00 -1.87 0.00 0.00 60.65 59.27 1g3i h LYS 357 Cb 0.30 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.56 1g3i h LYS 357 CO -0.32 -0.10 0.81 0.00 -0.57 0.00 0.00 179.45 179.27 1g3i h ALA 358 N -0.66 2.74 0.00 3.86 0.00 -0.83 0.49 119.26 124.86 1g3i h ALA 358 Ca 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1g3i h ALA 358 Cb 0.26 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1g3i h ALA 358 CO -0.30 -1.17 -0.00 -0.07 0.00 0.00 0.00 179.25 177.72 1g3i h LEU 359 N 0.17 -0.00 -2.45 0.00 -0.00 0.61 -3.29 115.31 110.34 1g3i h LEU 359 Ca 0.64 -0.72 -0.01 0.00 -0.00 0.00 0.00 57.88 57.79 1g3i h LEU 359 Cb 2.09 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 42.75 1g3i h LEU 359 CO -0.19 0.85 -0.03 0.24 -0.00 0.00 0.00 178.44 179.32 1g3i h MET 360 N -0.99 0.00 -0.14 1.13 2.86 0.66 -2.19 114.93 116.26 1g3i h MET 360 Ca -0.00 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 1g3i h MET 360 Cb 0.72 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.31 1g3i h MET 360 CO 0.00 0.03 -0.35 0.00 1.06 0.00 0.00 176.91 177.64 1g3i h ALA 361 N 1.97 -0.44 -0.87 6.32 0.00 -0.82 -0.48 119.26 124.94 1g3i h ALA 361 Ca -0.00 0.01 0.23 0.00 0.00 0.00 0.00 54.91 55.15 1g3i h ALA 361 Cb 0.10 0.67 -0.15 0.00 0.00 0.00 0.00 17.79 18.41 1g3i h ALA 361 CO 0.00 -0.84 0.12 1.15 0.00 0.00 0.00 179.25 179.68 1g3i h THR 362 N -0.42 0.24 0.00 0.00 2.02 -1.49 1.55 112.91 114.80 1g3i h THR 362 Ca 0.09 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1g3i h THR 362 Cb 0.58 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1g3i h THR 362 CO -0.38 0.02 0.00 -0.62 0.37 0.00 0.00 175.52 174.92 1g3i n GLU 363 N -5.33 0.83 -0.53 6.66 -0.58 -0.78 -4.85 120.64 116.05 1g3i n GLU 363 Ca 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1g3i n GLU 363 Cb 0.65 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 1g3i n GLU 363 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1g3i n GLY 364 N 0.64 0.76 3.81 0.62 0.00 0.53 -4.32 105.19 107.22 1g3i n GLY 364 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1g3i n GLY 364 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3i s VAL 365 N -2.90 4.87 -0.22 1.61 1.01 -0.26 -2.36 120.40 122.16 1g3i s VAL 365 Ca 0.00 1.09 -0.09 0.00 0.00 0.00 0.00 61.98 62.98 1g3i s VAL 365 Cb 0.00 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1g3i s VAL 365 CO 0.00 0.54 0.10 0.21 0.00 0.00 0.00 175.10 175.95 1g3i s ASN 366 N -0.91 5.72 0.26 3.32 3.84 -1.01 -3.01 114.94 123.15 1g3i s ASN 366 Ca 0.27 0.03 0.12 0.00 0.21 0.00 0.00 52.86 53.49 1g3i s ASN 366 Cb -0.18 -2.01 -0.05 0.00 -0.55 0.00 0.00 41.25 38.46 1g3i s ASN 366 CO 0.17 0.08 -0.18 -0.51 -2.79 0.00 0.00 177.10 173.87 1g3i s ILE 367 N 0.92 2.58 -0.22 -5.21 2.07 -1.26 -1.04 121.20 119.04 1g3i s ILE 367 Ca 0.05 -2.28 -0.11 0.00 -1.41 0.00 0.00 60.65 56.91 1g3i s ILE 367 Cb -0.13 -2.34 0.08 0.00 0.13 0.00 0.00 42.46 40.20 1g3i s ILE 367 CO 0.03 -0.34 0.52 0.00 -1.91 0.00 0.00 174.94 173.23 1g3i s ALA 368 N -2.33 -1.41 -0.17 1.50 0.00 -0.89 -4.93 121.76 113.52 1g3i s ALA 368 Ca 0.29 1.86 -0.10 0.00 0.00 0.00 0.00 51.96 54.01 1g3i s ALA 368 Cb -0.06 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 1g3i s ALA 368 CO 0.15 -0.47 0.17 -0.06 0.00 0.00 0.00 175.76 175.54 1g3i s PHE 369 N 1.89 3.46 0.20 0.00 0.40 -1.26 -0.55 117.98 122.11 1g3i s PHE 369 Ca -0.08 0.43 -0.14 0.00 -0.60 0.00 0.00 56.93 56.55 1g3i s PHE 369 Cb -0.09 -2.15 -0.07 0.00 0.51 0.00 0.00 43.02 41.22 1g3i s PHE 369 CO -0.15 0.38 0.59 0.95 0.70 0.00 0.00 175.22 177.68 1g3i s THR 370 N 0.07 4.83 0.06 0.64 -4.23 -0.36 -4.91 115.64 111.73 1g3i s THR 370 Ca 0.11 0.80 -0.12 0.00 -1.18 0.00 0.00 61.69 61.30 1g3i s THR 370 Cb -0.12 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 69.99 1g3i s THR 370 CO 0.01 0.11 0.99 0.41 -0.54 0.00 0.00 174.62 175.59 1g3i n THR 371 N 0.41 -0.26 -0.16 3.99 -1.04 -1.26 0.23 114.28 116.20 1g3i n THR 371 Ca -0.02 1.53 0.28 0.00 -2.04 0.00 0.00 64.05 63.80 1g3i n THR 371 Cb 0.52 -1.94 0.72 0.00 -1.82 0.00 0.00 70.33 67.81 1g3i n THR 371 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1g3i h ASP 372 N 0.00 0.00 -0.25 8.00 3.32 -1.95 0.47 116.42 126.01 1g3i h ASP 372 Ca 0.06 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 1g3i h ASP 372 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1g3i h ASP 372 CO -0.35 0.00 -0.18 0.00 -1.72 0.00 0.00 179.24 176.99 1g3i h ALA 373 N 1.44 0.36 0.46 3.45 0.00 0.27 -0.46 119.26 124.79 1g3i h ALA 373 Ca 0.41 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1g3i h ALA 373 Cb 1.78 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1g3i h ALA 373 CO -0.00 0.28 -0.22 0.28 0.00 0.00 0.00 179.25 179.58 1g3i h VAL 374 N 0.28 0.50 -1.08 0.00 2.07 0.94 0.30 116.25 119.26 1g3i h VAL 374 Ca 0.05 -0.32 0.31 0.00 0.82 0.00 0.00 66.70 67.56 1g3i h VAL 374 Cb 0.71 0.64 -0.12 0.00 -1.52 0.00 0.00 31.29 31.00 1g3i h VAL 374 CO 0.05 0.05 0.67 0.50 0.02 0.00 0.00 177.57 178.86 1g3i h LYS 375 N -0.83 0.33 0.06 1.57 3.64 -0.77 0.40 116.57 120.97 1g3i h LYS 375 Ca -0.06 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1g3i h LYS 375 Cb 0.57 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1g3i h LYS 375 CO 0.10 0.22 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.26 1g3i h LYS 376 N 0.34 -0.07 -0.43 1.90 1.63 -0.46 -0.50 116.57 118.98 1g3i h LYS 376 Ca 0.68 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.58 1g3i h LYS 376 Cb 1.73 0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 33.29 1g3i h LYS 376 CO -0.42 0.50 -0.17 0.82 -3.45 0.00 0.00 179.45 176.73 1g3i h ILE 377 N -0.73 0.45 0.35 2.00 2.04 0.12 -0.13 117.51 121.61 1g3i h ILE 377 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1g3i h ILE 377 Cb 0.61 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1g3i h ILE 377 CO 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 178.15 178.00 1g3i h ALA 378 N 1.26 -0.47 -1.24 1.87 0.00 -1.05 -0.86 119.26 118.77 1g3i h ALA 378 Ca 0.21 -0.17 0.36 0.00 0.00 0.00 0.00 54.91 55.30 1g3i h ALA 378 Cb 0.40 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1g3i h ALA 378 CO -0.48 -0.64 0.87 1.49 0.00 0.00 0.00 179.25 180.49 1g3i h GLU 379 N -0.72 0.10 -0.01 0.00 4.57 -0.82 0.62 114.58 118.32 1g3i h GLU 379 Ca -0.05 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1g3i h GLU 379 Cb 0.50 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1g3i h GLU 379 CO 0.08 0.06 -0.01 0.00 -1.18 0.00 0.00 179.01 177.96 1g3i h ALA 380 N 1.44 0.01 0.46 2.92 0.00 -0.18 0.62 119.26 124.52 1g3i h ALA 380 Ca 0.63 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1g3i h ALA 380 Cb 2.27 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 20.03 1g3i h ALA 380 CO -0.12 -0.20 -0.50 0.00 0.00 0.00 0.00 179.25 178.43 1g3i h ALA 381 N 0.44 -1.10 -0.54 0.00 0.00 0.46 -2.24 119.26 116.29 1g3i h ALA 381 Ca 0.00 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1g3i h ALA 381 Cb 0.57 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 1g3i h ALA 381 CO 0.00 -1.16 -0.41 0.35 0.00 0.00 0.00 179.25 178.03 1g3i h PHE 382 N -0.97 -1.31 -0.33 0.00 -0.00 -1.39 -0.95 116.94 112.01 1g3i h PHE 382 Ca -0.05 0.08 0.03 0.00 -0.00 0.00 0.00 57.97 58.03 1g3i h PHE 382 Cb 0.85 0.64 -0.04 0.00 -0.00 0.00 0.00 35.95 37.40 1g3i h PHE 382 CO -0.27 -0.30 -0.20 -2.13 -0.00 0.00 0.00 178.31 175.41 1g3i n ARG 383 N -4.62 -0.15 -0.02 1.11 3.00 0.21 -0.08 116.66 116.12 1g3i n ARG 383 Ca -0.00 0.60 -0.12 0.00 -0.00 0.00 0.00 57.85 58.32 1g3i n ARG 383 Cb 0.21 -0.88 -0.08 0.00 0.00 0.00 0.00 32.46 31.71 1g3i n ARG 383 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 1g3i h VAL 384 N 0.00 1.27 -0.83 5.15 3.04 -0.77 -2.05 116.25 122.06 1g3i h VAL 384 Ca 0.05 -0.83 0.20 0.00 -1.01 0.00 0.00 66.70 65.11 1g3i h VAL 384 Cb 0.14 1.70 -0.14 0.00 -2.01 0.00 0.00 31.29 30.98 1g3i h VAL 384 CO -0.31 0.23 0.09 0.78 -1.01 0.00 0.00 177.57 177.35 1g3i h ASN 385 N -0.19 -0.23 -0.30 3.17 4.21 0.70 0.61 115.58 123.56 1g3i h ASN 385 Ca 0.02 0.20 -0.02 0.00 1.21 0.00 0.00 56.30 57.71 1g3i h ASN 385 Cb 0.37 0.33 -0.01 0.00 -1.12 0.00 0.00 38.32 37.88 1g3i h ASN 385 CO 0.00 -0.19 0.10 -0.08 -1.29 0.00 0.00 177.43 175.98 1g3i h GLU 386 N 0.14 0.46 0.00 0.81 4.81 -0.81 -2.96 114.58 117.02 1g3i h GLU 386 Ca 0.48 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.58 1g3i h GLU 386 Cb 0.91 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1g3i h GLU 386 CO -0.69 0.50 -0.19 0.87 -0.73 0.00 0.00 179.01 178.77 1g3i h LYS 387 N 0.32 0.00 0.00 1.92 1.79 0.09 -3.47 116.57 117.23 1g3i h LYS 387 Ca 0.10 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.57 1g3i h LYS 387 Cb 0.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1g3i h LYS 387 CO -0.00 0.19 0.00 0.25 -1.08 0.00 0.00 179.45 178.81 1g3i n THR 388 N -3.47 0.00 -2.76 -0.16 -2.24 0.18 -4.90 114.28 100.93 1g3i n THR 388 Ca -0.01 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.35 1g3i n THR 388 Cb 0.37 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1g3i n THR 388 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1g3i s GLU 389 N 3.89 3.20 -0.52 -0.78 2.56 -1.26 -4.90 118.70 120.89 1g3i s GLU 389 Ca 0.00 -0.76 -0.26 0.00 0.00 0.00 0.00 54.97 53.95 1g3i s GLU 389 Cb 0.00 -4.34 -0.05 0.00 2.00 0.00 0.00 34.13 31.74 1g3i s GLU 389 CO 0.00 -1.93 2.24 1.21 -0.56 0.00 0.00 175.26 176.21 1g3i s ASN 390 N 3.77 4.71 -0.33 -1.70 3.84 -1.13 -4.77 114.94 119.33 1g3i s ASN 390 Ca 0.28 0.88 0.09 0.00 0.21 0.00 0.00 52.86 54.32 1g3i s ASN 390 Cb -0.12 -2.51 0.73 0.00 -0.55 0.00 0.00 41.25 38.80 1g3i s ASN 390 CO 0.09 -2.71 1.81 2.30 -2.79 0.00 0.00 177.10 175.79 1g3i n ILE 391 N 7.75 2.92 -4.91 -5.21 -5.35 -1.26 -4.77 119.36 108.53 1g3i n ILE 391 Ca 0.32 -1.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.19 1g3i n ILE 391 Cb 0.54 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 1g3i n ILE 391 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1g3i n GLY 392 N -0.22 2.46 0.17 3.28 0.00 -1.23 -3.12 105.19 106.54 1g3i n GLY 392 Ca 0.42 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1g3i n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3i h ALA 393 N -0.91 1.00 -0.18 4.61 0.00 -1.65 -2.32 119.26 119.80 1g3i h ALA 393 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g3i h ALA 393 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1g3i h ALA 393 CO 0.00 0.00 0.09 0.00 0.00 0.00 0.00 179.25 179.34 1g3i h ARG 394 N 0.00 0.25 -0.04 0.00 2.47 -1.81 -1.27 114.38 113.98 1g3i h ARG 394 Ca 0.00 -0.02 0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1g3i h ARG 394 Cb 0.30 -0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 28.57 1g3i h ARG 394 CO 0.00 0.19 0.48 -0.09 0.56 0.00 0.00 179.97 181.11 1g3i h ARG 395 N 0.25 0.00 0.02 0.04 9.65 -1.60 0.69 114.38 123.43 1g3i h ARG 395 Ca 0.07 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.90 1g3i h ARG 395 Cb 0.02 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.61 1g3i h ARG 395 CO -0.01 0.00 -0.19 -0.07 2.80 0.00 0.00 179.97 182.50 1g3i h LEU 396 N 0.00 0.13 -1.91 3.80 3.38 -1.45 -1.92 115.31 117.34 1g3i h LEU 396 Ca 0.02 -0.88 0.13 0.00 0.09 0.00 0.00 57.88 57.24 1g3i h LEU 396 Cb 0.98 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1g3i h LEU 396 CO -0.00 1.00 0.36 0.45 0.09 0.00 0.00 178.44 180.34 1g3i h HIS 397 N -0.72 0.11 0.35 1.13 3.86 0.23 0.42 115.15 120.52 1g3i h HIS 397 Ca -0.03 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1g3i h HIS 397 Cb 1.05 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.49 1g3i h HIS 397 CO 0.22 0.05 -0.17 1.15 0.86 0.00 0.00 177.93 180.04 1g3i h THR 398 N 0.10 0.46 -0.70 2.45 2.02 -1.26 -2.41 112.91 113.56 1g3i h THR 398 Ca 0.24 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1g3i h THR 398 Cb 0.83 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1g3i h THR 398 CO -0.02 0.10 0.31 0.58 0.37 0.00 0.00 175.52 176.85 1g3i h VAL 399 N -0.96 1.24 -0.14 3.16 2.07 -0.62 -1.69 116.25 119.31 1g3i h VAL 399 Ca -0.05 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.79 1g3i h VAL 399 Cb 0.52 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1g3i h VAL 399 CO 0.08 0.29 0.00 0.24 0.02 0.00 0.00 177.57 178.20 1g3i h MET 400 N 0.98 0.05 0.00 1.57 2.86 -0.28 0.91 114.93 121.02 1g3i h MET 400 Ca 0.24 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1g3i h MET 400 Cb 0.16 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.81 1g3i h MET 400 CO -0.02 0.03 0.00 1.49 1.06 0.00 0.00 176.91 179.47 1g3i h GLU 401 N 0.05 0.00 0.14 1.72 4.57 -1.09 0.51 114.58 120.48 1g3i h GLU 401 Ca 0.06 0.00 -0.30 0.00 -1.18 0.00 0.00 59.36 57.94 1g3i h GLU 401 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1g3i h GLU 401 CO -0.10 0.00 -1.47 -0.09 -1.18 0.00 0.00 179.01 176.17 1g3i h ARG 402 N 0.00 0.29 0.01 1.92 2.43 -0.31 -3.25 114.38 115.48 1g3i h ARG 402 Ca 0.00 -0.50 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 1g3i h ARG 402 Cb 0.19 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1g3i h ARG 402 CO 0.00 1.19 -0.07 1.25 -1.51 0.00 0.00 179.97 180.83 1g3i h LEU 403 N 0.08 0.04 -0.77 3.80 6.46 0.61 -3.19 115.31 122.34 1g3i h LEU 403 Ca -0.22 -0.99 0.00 0.00 -0.12 0.00 0.00 57.88 56.55 1g3i h LEU 403 Cb 2.03 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.94 1g3i h LEU 403 CO 0.19 1.03 0.00 0.23 -0.62 0.00 0.00 178.44 179.26 1g3i n MET 404 N -4.57 0.44 0.00 1.25 2.81 0.16 -4.17 117.12 113.04 1g3i n MET 404 Ca -0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1g3i n MET 404 Cb 0.50 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 1g3i n MET 404 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1g3i n ASP 405 N 0.10 0.00 -0.07 7.83 -0.08 -1.21 -2.10 116.55 121.02 1g3i n ASP 405 Ca 0.00 0.46 -0.04 0.00 -1.51 0.00 0.00 54.79 53.69 1g3i n ASP 405 Cb 0.08 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.51 1g3i n ASP 405 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1g3i h LYS 406 N 0.00 -0.10 -1.10 -0.67 6.56 -1.87 -0.17 116.57 119.23 1g3i h LYS 406 Ca 0.00 0.01 0.35 0.00 -1.06 0.00 0.00 60.65 59.95 1g3i h LYS 406 Cb 0.00 0.02 -0.14 0.00 -0.57 0.00 0.00 32.23 31.55 1g3i h LYS 406 CO 0.00 -0.06 0.66 0.82 -2.06 0.00 0.00 179.45 178.81 1g3i h ILE 407 N -0.10 0.27 0.00 1.86 2.04 -1.85 0.27 117.51 120.01 1g3i h ILE 407 Ca 0.03 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1g3i h ILE 407 Cb 0.18 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1g3i h ILE 407 CO -0.22 0.05 -0.07 -1.28 0.00 0.00 0.00 178.15 176.62 1g3i h SER 408 N 0.25 0.00 0.00 1.72 0.87 -0.46 0.89 113.55 116.82 1g3i h SER 408 Ca 0.74 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 61.25 1g3i h SER 408 Cb 1.92 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.88 1g3i h SER 408 CO -0.51 0.07 -0.42 0.15 -0.53 0.00 0.00 176.83 175.59 1g3i h PHE 409 N 0.00 0.00 0.00 2.24 3.57 -0.40 -3.39 116.94 118.96 1g3i h PHE 409 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1g3i h PHE 409 Cb 0.18 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1g3i h PHE 409 CO 0.00 0.55 -0.17 0.77 -2.23 0.00 0.00 178.31 177.23 1g3i h SER 410 N -1.00 0.00 -1.02 0.41 0.02 -1.43 -3.26 113.55 107.27 1g3i h SER 410 Ca -0.08 0.00 0.30 0.00 -0.84 0.00 0.00 61.79 61.17 1g3i h SER 410 Cb 0.65 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1g3i h SER 410 CO -0.05 0.17 0.97 0.00 -1.14 0.00 0.00 176.83 176.79 1g3i h ALA 411 N 1.83 2.89 0.23 3.77 0.00 0.62 0.48 119.26 129.08 1g3i h ALA 411 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1g3i h ALA 411 Cb 0.84 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1g3i h ALA 411 CO 0.02 -1.50 -0.11 1.03 0.00 0.00 0.00 179.25 178.69 1g3i h SER 412 N 0.00 -0.26 -0.65 0.00 0.87 -1.80 -3.10 113.55 108.61 1g3i h SER 412 Ca 0.49 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.90 1g3i h SER 412 Cb 2.43 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 64.45 1g3i h SER 412 CO -0.01 0.00 0.00 -0.90 -0.53 0.00 0.00 176.83 175.40 1g3i n ASP 413 N -5.13 4.92 -1.71 6.23 3.85 -0.35 -4.13 116.55 120.23 1g3i n ASP 413 Ca -0.09 -2.51 0.09 0.00 -0.71 0.00 0.00 54.79 51.56 1g3i n ASP 413 Cb 0.21 -0.60 0.38 0.00 -1.35 0.00 0.00 41.12 39.77 1g3i n ASP 413 CO 0.00 0.00 0.00 0.80 -1.01 0.00 0.00 177.20 176.99 1g3i n MET 414 N 1.08 4.19 -1.12 0.11 1.56 0.01 -5.03 117.12 117.92 1g3i n MET 414 Ca 0.26 -3.01 -0.36 0.00 -0.27 0.00 0.00 57.70 54.33 1g3i n MET 414 Cb 0.94 -2.04 0.02 0.00 2.15 0.00 0.00 33.22 34.28 1g3i n MET 414 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 1g3i n ASN 415 N 0.95 -3.94 0.00 6.12 2.85 -1.25 -3.32 115.26 116.66 1g3i n ASN 415 Ca 0.27 0.52 0.00 0.00 -0.11 0.00 0.00 54.58 55.25 1g3i n ASN 415 Cb 1.01 -0.78 0.00 0.00 1.24 0.00 0.00 39.78 41.25 1g3i n ASN 415 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1g3i n GLY 416 N 2.56 1.37 3.00 8.20 0.00 -0.99 -4.95 105.19 114.38 1g3i n GLY 416 Ca 0.05 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 1g3i n GLY 416 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g3i n GLN 417 N 0.00 -0.02 -3.82 1.61 6.02 -1.21 -4.50 117.38 115.45 1g3i n GLN 417 Ca 0.00 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.00 56.77 1g3i n GLN 417 Cb 0.00 -1.01 -0.17 0.00 1.02 0.00 0.00 30.24 30.08 1g3i n GLN 417 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1g3i s THR 418 N -2.00 0.31 -0.08 5.09 -4.23 -1.26 -2.41 115.64 111.07 1g3i s THR 418 Ca 0.37 0.13 -0.17 0.00 -1.18 0.00 0.00 61.69 60.84 1g3i s THR 418 Cb 0.07 -0.45 -0.05 0.00 1.34 0.00 0.00 72.50 73.41 1g3i s THR 418 CO 0.68 0.23 0.44 -0.69 -0.54 0.00 0.00 174.62 174.74 1g3i s VAL 419 N 1.75 5.13 -0.62 2.29 1.01 -0.21 -4.99 120.40 124.77 1g3i s VAL 419 Ca 0.01 0.88 -0.05 0.00 0.00 0.00 0.00 61.98 62.83 1g3i s VAL 419 Cb -0.13 -3.77 0.16 0.00 0.00 0.00 0.00 36.38 32.65 1g3i s VAL 419 CO -0.04 0.42 0.45 0.21 0.00 0.00 0.00 175.10 176.14 1g3i s ASN 420 N -0.02 5.46 -0.62 3.32 3.84 -1.26 -2.09 114.94 123.57 1g3i s ASN 420 Ca 0.24 -2.68 -0.27 0.00 0.21 0.00 0.00 52.86 50.36 1g3i s ASN 420 Cb -0.16 -1.91 0.00 0.00 -0.55 0.00 0.00 41.25 38.64 1g3i s ASN 420 CO 0.11 -0.44 1.58 -0.63 -2.79 0.00 0.00 177.10 174.93 1g3i s ILE 421 N 0.19 3.58 0.54 -5.21 1.01 0.28 -4.88 121.20 116.71 1g3i s ILE 421 Ca 0.15 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.24 1g3i s ILE 421 Cb -0.20 -4.33 0.04 0.00 0.01 0.00 0.00 42.46 37.98 1g3i s ILE 421 CO -0.04 -1.22 0.30 -0.90 0.00 0.00 0.00 174.94 173.08 1g3i n ASP 422 N 10.87 2.96 -0.21 3.58 3.85 -1.26 -1.23 116.55 135.11 1g3i n ASP 422 Ca 0.14 -3.00 0.14 0.00 -0.71 0.00 0.00 54.79 51.36 1g3i n ASP 422 Cb 0.50 0.07 0.46 0.00 -1.35 0.00 0.00 41.12 40.80 1g3i n ASP 422 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1g3i h ALA 423 N 0.84 2.02 0.39 2.12 0.00 -1.89 -0.87 119.26 121.87 1g3i h ALA 423 Ca -0.37 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1g3i h ALA 423 Cb 1.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1g3i h ALA 423 CO 0.59 -0.25 -0.19 0.00 0.00 0.00 0.00 179.25 179.41 1g3i h ALA 424 N 1.63 -0.52 -0.14 0.00 0.00 -1.95 -0.73 119.26 117.55 1g3i h ALA 424 Ca 0.40 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1g3i h ALA 424 Cb 0.83 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 1g3i h ALA 424 CO -0.15 -0.64 -0.26 -0.92 0.00 0.00 0.00 179.25 177.28 1g3i h TYR 425 N -0.83 -0.80 0.06 0.00 -0.00 -1.54 0.14 116.97 114.01 1g3i h TYR 425 Ca -0.05 0.03 0.02 0.00 -0.00 0.00 0.00 58.73 58.73 1g3i h TYR 425 Cb 0.54 0.36 -0.05 0.00 -0.00 0.00 0.00 36.73 37.58 1g3i h TYR 425 CO 0.01 -0.25 -0.52 0.28 -0.00 0.00 0.00 178.16 177.69 1g3i h VAL 426 N -0.23 0.02 -1.54 1.81 2.07 -1.40 0.45 116.25 117.43 1g3i h VAL 426 Ca 0.03 0.00 0.46 0.00 0.82 0.00 0.00 66.70 68.00 1g3i h VAL 426 Cb 0.30 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.01 1g3i h VAL 426 CO -0.25 0.00 1.08 0.00 0.02 0.00 0.00 177.57 178.42 1g3i h ALA 427 N -0.43 3.29 -1.29 1.67 0.00 -0.65 -1.58 119.26 120.27 1g3i h ALA 427 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g3i h ALA 427 Cb 0.74 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1g3i h ALA 427 CO -0.32 -1.80 0.00 -3.47 0.00 0.00 0.00 179.25 173.66 1g3i n ASP 428 N -4.24 0.00 -0.26 0.00 -0.08 0.13 -3.26 116.55 108.84 1g3i n ASP 428 Ca 0.36 0.33 0.27 0.00 -1.51 0.00 0.00 54.79 54.24 1g3i n ASP 428 Cb 1.60 -0.29 0.41 0.00 2.34 0.00 0.00 41.12 45.18 1g3i n ASP 428 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1g3i n ALA 429 N -1.36 0.95 -0.01 -1.67 0.00 0.18 0.05 120.51 118.66 1g3i n ALA 429 Ca 0.00 0.33 -0.21 0.00 0.00 0.00 0.00 53.44 53.55 1g3i n ALA 429 Cb 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 19.45 18.75 1g3i n ALA 429 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1g3i h LEU 430 N 0.00 0.34 0.00 0.00 3.38 -1.44 -3.43 115.31 114.15 1g3i h LEU 430 Ca 0.47 -0.83 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1g3i h LEU 430 Cb 2.47 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 43.11 1g3i h LEU 430 CO -0.00 1.65 0.00 0.61 0.09 0.00 0.00 178.44 180.78 1g3i n GLY 431 N 1.75 -0.19 3.80 0.83 0.00 0.11 -4.92 105.19 106.57 1g3i n GLY 431 Ca -0.27 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.24 1g3i n GLY 431 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1g3i s GLU 432 N 0.00 2.27 0.40 1.61 8.01 -1.26 -4.95 118.70 124.78 1g3i s GLU 432 Ca 0.00 -1.90 0.04 0.00 0.01 0.00 0.00 54.97 53.11 1g3i s GLU 432 Cb 0.00 -2.01 0.04 0.00 -4.31 0.00 0.00 34.13 27.84 1g3i s GLU 432 CO 0.00 -0.27 0.30 0.28 0.01 0.00 0.00 175.26 175.58 1g3i n VAL 433 N -1.41 0.00 -3.79 2.63 0.31 -1.26 -5.11 118.33 109.70 1g3i n VAL 433 Ca -0.02 -1.60 -0.30 0.00 -0.01 0.00 0.00 64.34 62.40 1g3i n VAL 433 Cb 0.64 -0.16 -0.15 0.00 -0.91 0.00 0.00 33.84 33.27 1g3i n VAL 433 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1g3i s VAL 434 N -2.00 1.26 -0.53 2.52 1.01 -1.26 -5.06 120.40 116.34 1g3i s VAL 434 Ca 0.23 -1.80 0.07 0.00 0.00 0.00 0.00 61.98 60.48 1g3i s VAL 434 Cb -0.02 -1.94 0.29 0.00 0.00 0.00 0.00 36.38 34.72 1g3i s VAL 434 CO 0.15 -0.70 0.75 -1.84 0.00 0.00 0.00 175.10 173.46 1g3i n GLU 435 N 4.49 2.12 0.00 2.72 0.28 -1.26 -4.81 120.64 124.18 1g3i n GLU 435 Ca 0.01 -4.23 0.00 0.00 -0.16 0.00 0.00 57.16 52.78 1g3i n GLU 435 Cb 0.41 -1.95 0.00 0.00 1.43 0.00 0.00 31.44 31.32 1g3i n GLU 435 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 177.13 177.24 1g3i n ASN 436 N 0.57 0.00 0.16 -1.84 0.23 -1.26 -5.09 115.26 108.03 1g3i n ASN 436 Ca 0.28 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 54.18 1g3i n ASN 436 Cb 0.47 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.09 1g3i n ASN 436 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1g3i h GLU 437 N 0.00 -0.33 0.00 -3.83 -0.00 -2.00 -3.42 114.58 105.01 1g3i h GLU 437 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.38 1g3i h GLU 437 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 28.75 28.82 1g3i h GLU 437 CO 0.00 -0.19 0.00 -0.25 -0.00 0.00 0.00 179.01 178.57 1g3i n ASP 438 N -5.22 0.00 0.00 3.06 8.00 -1.26 -4.50 116.55 116.63 1g3i n ASP 438 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1g3i n ASP 438 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1g3i n ASP 438 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1g3i n LEU 439 N 0.00 0.00 0.00 0.64 4.77 -1.26 -3.86 117.00 117.29 1g3i n LEU 439 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1g3i n LEU 439 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1g3i n LEU 439 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 174.86 1g3i n SER 440 N -0.28 0.00 0.00 -1.43 7.64 -1.26 -0.69 113.62 117.60 1g3i n SER 440 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1g3i n SER 440 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1g3i n SER 440 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1g3i n ARG 441 N 0.00 0.00 0.00 1.43 3.00 -1.25 0.10 116.66 119.94 1g3i n ARG 441 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.85 57.96 1g3i n ARG 441 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.50 1g3i n ARG 441 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1g3i n PHE 442 N -2.93 0.02 -4.22 -0.14 3.01 0.14 -4.94 117.46 108.41 1g3i n PHE 442 Ca 0.00 0.01 -0.35 0.00 1.01 0.00 0.00 57.45 58.12 1g3i n PHE 442 Cb 0.00 -0.15 -0.10 0.00 -0.01 0.00 0.00 39.48 39.23 1g3i n PHE 442 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1g3i s ILE 443 N -3.02 4.51 -2.69 4.37 1.01 0.28 -5.04 121.20 120.62 1g3i s ILE 443 Ca 0.09 -0.16 0.26 0.00 0.00 0.00 0.00 60.65 60.85 1g3i s ILE 443 Cb 0.16 -2.96 0.41 0.00 0.01 0.00 0.00 42.46 40.09 1g3i s ILE 443 CO 0.79 0.55 1.56 -0.11 0.00 0.00 0.00 174.94 177.73