#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 0.03 0.97 1.43 2.56 -1.26 -5.14 118.70 117.30 1g3i s GLU 3 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.97 54.79 1g3i s GLU 3 Cb 0.00 0.01 0.24 0.00 2.00 0.00 0.00 34.13 36.38 1g3i s GLU 3 CO 0.00 -0.01 0.84 -1.33 -0.56 0.00 0.00 175.26 174.20 1g3i n MET 4 N -0.18 -2.78 -4.24 4.30 2.81 -1.26 -5.08 117.12 110.69 1g3i n MET 4 Ca 0.00 -1.35 -0.14 0.00 -1.81 0.00 0.00 57.70 54.40 1g3i n MET 4 Cb 0.59 -1.29 -0.10 0.00 -0.71 0.00 0.00 33.22 31.71 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 -2.51 1.05 0.00 2.03 -4.23 -1.26 -4.94 115.64 105.79 1g3i s THR 5 Ca 0.55 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 1g3i s THR 5 Cb -0.06 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.90 1g3i s THR 5 CO 0.43 -0.71 0.60 -2.65 -0.54 0.00 0.00 174.62 171.75 1g3i n PRO 6 N -0.19 0.00 0.24 3.99 -0.02 -1.26 0.11 135.00 137.86 1g3i n PRO 6 Ca -0.10 0.60 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 1g3i n PRO 6 Cb 0.61 -0.95 0.59 0.00 -0.02 0.00 0.00 33.50 33.74 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 0.00 -0.21 -0.52 2.43 -1.97 -1.98 114.38 112.12 1g3i h ARG 7 Ca 0.00 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1g3i h ARG 7 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1g3i h ARG 7 CO 0.00 0.13 -0.47 1.49 -1.51 0.00 0.00 179.97 179.62 1g3i h GLU 8 N 0.00 0.55 0.01 0.20 4.81 -0.30 -2.75 114.58 117.10 1g3i h GLU 8 Ca -0.00 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 58.87 1g3i h GLU 8 Cb 0.25 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1g3i h GLU 8 CO 0.02 0.90 -0.21 0.82 -0.73 0.00 0.00 179.01 179.80 1g3i h ILE 9 N 0.44 1.60 -0.72 2.32 2.04 0.12 -3.14 117.51 120.17 1g3i h ILE 9 Ca 0.03 -2.05 0.14 0.00 1.00 0.00 0.00 64.86 63.98 1g3i h ILE 9 Cb 0.98 2.94 -0.14 0.00 -0.74 0.00 0.00 36.82 39.86 1g3i h ILE 9 CO 0.09 0.55 -0.19 0.58 0.00 0.00 0.00 178.15 179.18 1g3i h VAL 10 N -0.63 0.26 -0.42 1.67 2.07 -1.39 0.13 116.25 117.94 1g3i h VAL 10 Ca -0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.55 1g3i h VAL 10 Cb 1.03 0.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.97 1g3i h VAL 10 CO 0.04 0.00 -0.49 0.28 0.02 0.00 0.00 177.57 177.43 1g3i h SER 11 N -0.01 -1.62 -0.93 0.57 0.02 -1.50 0.32 113.55 110.39 1g3i h SER 11 Ca 0.34 0.23 0.19 0.00 -0.84 0.00 0.00 61.79 61.72 1g3i h SER 11 Cb 0.53 0.69 -0.11 0.00 0.14 0.00 0.00 62.40 63.65 1g3i h SER 11 CO -0.75 -0.38 0.49 -0.08 -1.14 0.00 0.00 176.83 174.97 1g3i h GLU 12 N -0.35 0.57 -0.43 3.45 4.57 -0.76 -0.55 114.58 121.08 1g3i h GLU 12 Ca 0.11 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 1g3i h GLU 12 Cb 0.59 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1g3i h GLU 12 CO -0.60 0.38 -0.25 -0.07 -1.18 0.00 0.00 179.01 177.29 1g3i h LEU 13 N 0.59 0.93 -2.48 1.64 3.38 0.43 -2.40 115.31 117.41 1g3i h LEU 13 Ca 0.55 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1g3i h LEU 13 Cb 0.92 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1g3i h LEU 13 CO -0.43 1.13 0.12 0.44 0.09 0.00 0.00 178.44 179.79 1g3i h ASP 14 N 0.78 0.00 0.42 -0.43 3.32 0.12 0.02 116.42 120.63 1g3i h ASP 14 Ca 0.10 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1g3i h ASP 14 Cb 0.81 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 1g3i h ASP 14 CO 0.07 0.00 -0.31 1.56 -1.72 0.00 0.00 179.24 178.84 1g3i h GLN 15 N 0.00 0.00 0.00 3.56 4.20 -1.07 -3.32 115.11 118.48 1g3i h GLN 15 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1g3i h GLN 15 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1g3i h GLN 15 CO -0.00 0.31 -1.15 0.72 -0.67 0.00 0.00 178.83 178.04 1g3i n HIS 16 N -3.96 0.00 -4.60 2.96 8.25 -0.18 -1.82 115.22 115.87 1g3i n HIS 16 Ca -0.02 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.11 1g3i n HIS 16 Cb 0.38 -0.09 -0.11 0.00 1.12 0.00 0.00 29.99 31.28 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 -2.25 3.59 -0.17 1.59 1.09 -0.20 -4.85 121.20 120.00 1g3i s ILE 17 Ca -0.01 -0.63 -0.08 0.00 -1.10 0.00 0.00 60.65 58.83 1g3i s ILE 17 Cb 0.03 -2.50 -0.04 0.00 -1.06 0.00 0.00 42.46 38.89 1g3i s ILE 17 CO 0.17 0.52 0.09 -0.63 -0.10 0.00 0.00 174.94 174.99 1g3i s ILE 18 N -0.87 5.06 0.00 2.92 -1.09 -1.26 -4.52 121.20 121.44 1g3i s ILE 18 Ca 0.14 0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 1g3i s ILE 18 Cb -0.11 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 1g3i s ILE 18 CO 0.04 0.49 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 1g3i n GLY 19 N 3.19 0.19 3.41 6.18 0.00 -1.26 -4.95 105.19 111.94 1g3i n GLY 19 Ca -0.17 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 -1.41 -0.05 1.61 1.13 -1.26 -4.92 117.38 112.48 1g3i n GLN 20 Ca 0.00 1.09 -0.01 0.00 -1.94 0.00 0.00 57.00 56.14 1g3i n GLN 20 Cb 0.00 -4.29 -0.00 0.00 0.11 0.00 0.00 30.24 26.06 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 0.79 0.00 -0.96 -1.58 0.00 -1.92 -3.13 119.26 112.46 1g3i h ALA 21 Ca -0.33 -0.15 0.30 0.00 0.00 0.00 0.00 54.91 54.74 1g3i h ALA 21 Cb 1.20 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.96 1g3i h ALA 21 CO 0.35 0.14 0.26 -0.44 0.00 0.00 0.00 179.25 179.56 1g3i h ASP 22 N -0.90 -0.07 0.05 0.00 3.32 -1.92 0.97 116.42 117.87 1g3i h ASP 22 Ca 0.00 0.25 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1g3i h ASP 22 Cb 0.14 0.34 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1g3i h ASP 22 CO 0.00 -0.30 -0.06 0.00 -1.72 0.00 0.00 179.24 177.15 1g3i h ALA 23 N 1.92 -0.11 -0.27 3.45 0.00 -1.81 0.24 119.26 122.68 1g3i h ALA 23 Ca 0.66 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.61 1g3i h ALA 23 Cb 1.49 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1g3i h ALA 23 CO -0.79 -0.57 -0.03 0.87 0.00 0.00 0.00 179.25 178.73 1g3i h LYS 24 N -0.14 0.04 0.09 0.00 1.57 0.91 -1.49 116.57 117.55 1g3i h LYS 24 Ca 0.01 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1g3i h LYS 24 Cb 0.14 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1g3i h LYS 24 CO -0.03 0.03 -0.30 -0.09 -0.57 0.00 0.00 179.45 178.49 1g3i h ARG 25 N 0.04 -0.43 -0.84 3.15 2.43 -0.49 0.33 114.38 118.57 1g3i h ARG 25 Ca 0.13 0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.43 1g3i h ARG 25 Cb 0.19 0.10 -0.12 0.00 -0.42 0.00 0.00 29.97 29.72 1g3i h ARG 25 CO -0.25 -0.29 -0.42 0.00 -1.51 0.00 0.00 179.97 177.50 1g3i n ALA 26 N -2.71 -0.33 0.30 2.80 0.00 0.04 0.31 120.51 120.92 1g3i n ALA 26 Ca -0.05 0.77 0.17 0.00 0.00 0.00 0.00 53.44 54.33 1g3i n ALA 26 Cb 0.24 -0.24 0.73 0.00 0.00 0.00 0.00 19.45 20.18 1g3i n ALA 26 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1g3i h VAL 27 N 0.00 0.00 0.07 0.00 -1.51 -0.97 -2.10 116.25 111.74 1g3i h VAL 27 Ca 0.21 -0.39 -0.00 0.00 -1.23 0.00 0.00 66.70 65.28 1g3i h VAL 27 Cb 0.42 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1g3i h VAL 27 CO -0.81 0.00 -0.04 0.00 -1.23 0.00 0.00 177.57 175.50 1g3i h ALA 28 N 2.04 -0.41 -1.13 5.19 0.00 0.70 0.64 119.26 126.28 1g3i h ALA 28 Ca 0.00 -0.02 0.33 0.00 0.00 0.00 0.00 54.91 55.22 1g3i h ALA 28 Cb 0.41 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 1g3i h ALA 28 CO 0.00 -0.40 0.72 -0.84 0.00 0.00 0.00 179.25 178.73 1g3i h ILE 29 N -0.22 0.35 0.10 0.00 3.07 -0.94 0.90 117.51 120.77 1g3i h ILE 29 Ca -0.01 -0.09 -0.01 0.00 1.55 0.00 0.00 64.86 66.30 1g3i h ILE 29 Cb 0.08 0.05 0.00 0.00 -0.27 0.00 0.00 36.82 36.68 1g3i h ILE 29 CO 0.02 0.05 -0.05 0.00 -1.05 0.00 0.00 178.15 177.12 1g3i h ALA 30 N 1.65 -0.14 -0.04 0.16 0.00 -1.38 0.34 119.26 119.85 1g3i h ALA 30 Ca 0.69 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.45 1g3i h ALA 30 Cb 1.91 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1g3i h ALA 30 CO -0.38 -0.49 -0.21 1.25 0.00 0.00 0.00 179.25 179.41 1g3i h LEU 31 N -0.31 0.06 0.20 0.00 5.85 0.30 -2.84 115.31 118.57 1g3i h LEU 31 Ca -0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1g3i h LEU 31 Cb 0.26 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1g3i h LEU 31 CO 0.02 0.28 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.22 1g3i h ARG 32 N 0.06 -0.26 -0.99 1.25 9.65 0.47 -2.48 114.38 122.09 1g3i h ARG 32 Ca 0.01 0.02 0.29 0.00 -1.10 0.00 0.00 59.98 59.19 1g3i h ARG 32 Cb 0.41 0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.01 1g3i h ARG 32 CO 0.03 0.06 0.98 -0.91 2.80 0.00 0.00 179.97 182.93 1g3i h ASN 33 N -0.60 0.00 -0.16 -3.80 2.35 -0.70 0.81 115.58 113.49 1g3i h ASN 33 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1g3i h ASN 33 Cb 0.44 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1g3i h ASN 33 CO 0.05 0.00 0.09 -0.09 -1.65 0.00 0.00 177.43 175.83 1g3i h ARG 34 N 0.00 0.22 -0.40 0.81 9.65 -1.44 -1.17 114.38 122.04 1g3i h ARG 34 Ca 0.47 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 59.25 1g3i h ARG 34 Cb 2.43 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 30.95 1g3i h ARG 34 CO -0.00 0.20 -0.07 2.35 2.80 0.00 0.00 179.97 185.25 1g3i h TRP 35 N 0.17 0.74 0.53 2.20 7.01 0.53 -3.20 115.95 123.93 1g3i h TRP 35 Ca 0.06 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 60.92 1g3i h TRP 35 Cb 0.04 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 26.90 1g3i h TRP 35 CO -0.05 0.73 -0.33 0.00 -2.79 0.00 0.00 178.44 176.01 1g3i h ARG 36 N 0.63 -0.78 -7.52 2.65 3.08 -0.79 -3.36 114.38 108.29 1g3i h ARG 36 Ca 0.12 0.05 -0.43 0.00 0.07 0.00 0.00 59.98 59.79 1g3i h ARG 36 Cb 0.50 0.18 0.18 0.00 0.08 0.00 0.00 29.97 30.90 1g3i h ARG 36 CO 0.03 -0.52 0.24 0.50 -1.07 0.00 0.00 179.97 179.14 1g3i s ARG 37 N -6.04 -0.36 -1.98 0.04 3.52 -0.52 -2.94 118.95 110.66 1g3i s ARG 37 Ca -0.17 -0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.33 1g3i s ARG 37 Cb 0.04 -1.70 0.00 0.00 -1.56 0.00 0.00 34.95 31.74 1g3i s ARG 37 CO 0.63 -3.14 0.00 -0.12 -0.81 0.00 0.00 175.30 171.86 1g3i n MET 38 N -4.35 -1.43 0.00 5.12 1.56 -1.26 -4.43 117.12 112.33 1g3i n MET 38 Ca 0.13 1.13 0.00 0.00 -0.27 0.00 0.00 57.70 58.68 1g3i n MET 38 Cb 0.59 -5.54 0.00 0.00 2.15 0.00 0.00 33.22 30.42 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 -2.56 0.00 -2.54 2.12 -0.06 -1.15 -4.99 117.38 108.20 1g3i n GLN 39 Ca -0.21 0.00 -0.23 0.00 -2.00 0.00 0.00 57.00 54.57 1g3i n GLN 39 Cb 0.66 -0.04 0.06 0.00 -4.06 0.00 0.00 30.24 26.86 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 3.11 0.08 1.69 1.43 -1.23 -5.07 118.68 118.68 1g3i s LEU 40 Ca 0.00 -0.02 -0.22 0.00 -1.03 0.00 0.00 54.13 52.86 1g3i s LEU 40 Cb 0.00 -2.68 -0.07 0.00 0.03 0.00 0.00 46.19 43.47 1g3i s LEU 40 CO 0.00 -1.42 0.66 -1.10 0.23 0.00 0.00 176.35 174.72 1g3i s GLN 41 N -4.95 4.37 0.00 1.70 -1.52 -1.26 -4.52 119.66 113.48 1g3i s GLN 41 Ca 0.60 0.90 0.00 0.00 -1.95 0.00 0.00 55.36 54.91 1g3i s GLN 41 Cb -0.09 -3.28 0.00 0.00 -0.22 0.00 0.00 33.01 29.42 1g3i s GLN 41 CO 0.41 0.52 0.00 -1.91 -0.25 0.00 0.00 175.29 174.06 1g3i n GLU 42 N 2.04 0.00 0.10 2.91 4.07 -1.26 -1.05 120.64 127.45 1g3i n GLU 42 Ca -0.07 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 56.90 1g3i n GLU 42 Cb 0.50 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.83 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 -0.45 0.00 5.31 0.11 -2.01 -3.07 132.00 131.89 1g3i h PRO 43 Ca 0.00 0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.92 1g3i h PRO 43 Cb 0.00 0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 1g3i h PRO 43 CO 0.00 -0.30 -1.07 -0.07 -0.21 0.00 0.00 178.00 176.35 1g3i h LEU 44 N -0.46 0.00 -1.94 2.35 3.38 -1.47 -2.93 115.31 114.24 1g3i h LEU 44 Ca 0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1g3i h LEU 44 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1g3i h LEU 44 CO -0.17 0.97 0.39 -0.09 0.09 0.00 0.00 178.44 179.64 1g3i h ARG 45 N 0.00 0.00 0.00 1.13 2.43 -1.34 -0.99 114.38 115.61 1g3i h ARG 45 Ca -0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1g3i h ARG 45 Cb 1.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.33 1g3i h ARG 45 CO 0.12 0.00 -0.97 1.58 -1.51 0.00 0.00 179.97 179.19 1g3i n HIS 46 N -3.16 0.00 0.09 2.20 -0.00 -1.18 -4.41 115.22 108.76 1g3i n HIS 46 Ca 0.01 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.99 1g3i n HIS 46 Cb 0.48 -0.09 -0.12 0.00 -0.12 0.00 0.00 29.99 30.14 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 0.59 -6.53 1.57 4.39 -1.01 -3.45 114.58 110.14 1g3i h GLU 47 Ca 0.00 -0.76 -0.53 0.00 0.34 0.00 0.00 59.36 58.41 1g3i h GLU 47 Cb 0.23 0.25 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1g3i h GLU 47 CO 0.00 1.34 0.58 0.54 -1.16 0.00 0.00 179.01 180.31 1g3i s VAL 48 N -3.03 3.83 0.16 3.13 0.11 -0.82 -5.03 120.40 118.75 1g3i s VAL 48 Ca -0.09 1.36 0.11 0.00 -2.93 0.00 0.00 61.98 60.43 1g3i s VAL 48 Cb 0.06 -3.87 -0.04 0.00 -1.53 0.00 0.00 36.38 31.00 1g3i s VAL 48 CO 0.92 0.13 -0.23 0.42 -3.33 0.00 0.00 175.10 173.01 1g3i s THR 49 N 0.83 2.47 0.53 5.04 -4.23 -1.26 -5.00 115.64 114.02 1g3i s THR 49 Ca 0.58 -1.82 -0.18 0.00 -1.18 0.00 0.00 61.69 59.09 1g3i s THR 49 Cb -0.31 -2.15 -0.12 0.00 1.34 0.00 0.00 72.50 71.26 1g3i s THR 49 CO 0.31 -0.01 0.15 -2.65 -0.54 0.00 0.00 174.62 171.88 1g3i n PRO 50 N 0.56 0.21 -1.92 3.99 -0.02 -1.26 -4.92 135.00 131.64 1g3i n PRO 50 Ca -0.15 0.08 -0.34 0.00 -2.02 0.00 0.00 63.50 61.08 1g3i n PRO 50 Cb 0.54 -1.29 0.04 0.00 -0.02 0.00 0.00 33.50 32.77 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 0.86 3.00 0.00 -0.52 4.76 -1.26 -5.05 118.16 119.95 1g3i n LYS 51 Ca 0.09 -3.77 0.00 0.00 -2.87 0.00 0.00 58.31 51.76 1g3i n LYS 51 Cb 0.47 -2.27 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 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 -0.64 0.00 -4.65 4.39 3.02 -1.26 -4.00 115.26 112.12 1g3i n ASN 52 Ca 0.51 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.76 1g3i n ASN 52 Cb 0.52 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.61 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 0.00 3.77 -0.20 2.41 1.01 -0.51 -2.72 121.20 124.97 1g3i s ILE 53 Ca 0.00 -1.09 0.01 0.00 0.00 0.00 0.00 60.65 59.56 1g3i s ILE 53 Cb 0.00 -2.79 0.05 0.00 0.01 0.00 0.00 42.46 39.73 1g3i s ILE 53 CO 0.00 0.12 -0.08 -0.22 0.00 0.00 0.00 174.94 174.75 1g3i s LEU 54 N -2.27 2.19 -0.24 2.97 2.96 0.15 -0.45 118.68 124.00 1g3i s LEU 54 Ca 0.24 -0.89 -0.12 0.00 -0.22 0.00 0.00 54.13 53.14 1g3i s LEU 54 Cb -0.11 -1.16 -0.05 0.00 0.50 0.00 0.00 46.19 45.37 1g3i s LEU 54 CO 0.17 -0.17 0.24 -0.04 -1.32 0.00 0.00 176.35 175.22 1g3i s MET 55 N 1.45 4.08 -0.21 1.98 -1.94 0.34 -1.35 119.30 123.65 1g3i s MET 55 Ca -0.02 -0.14 -0.04 0.00 -1.71 0.00 0.00 55.69 53.79 1g3i s MET 55 Cb -0.16 -3.56 -0.01 0.00 2.01 0.00 0.00 34.83 33.11 1g3i s MET 55 CO -0.08 -0.01 -0.05 0.42 -0.01 0.00 0.00 175.02 175.30 1g3i s ILE 56 N 1.25 3.41 0.36 2.53 1.09 -0.71 -1.90 121.20 127.23 1g3i s ILE 56 Ca 0.11 -0.49 -0.17 0.00 -1.10 0.00 0.00 60.65 59.01 1g3i s ILE 56 Cb -0.14 -2.54 0.06 0.00 -1.06 0.00 0.00 42.46 38.78 1g3i s ILE 56 CO 0.06 0.43 0.83 -0.83 -0.10 0.00 0.00 174.94 175.34 1g3i s GLY 57 N 1.33 0.35 0.21 6.18 0.00 -0.64 -0.57 107.32 114.18 1g3i s GLY 57 Ca 0.04 -0.70 -0.03 0.00 0.00 0.00 0.00 44.72 44.02 1g3i s GLY 57 CO -0.02 0.16 0.29 -1.05 0.00 0.00 0.00 173.10 172.48 1g3i n PRO 58 N -0.56 -0.19 -2.72 2.90 -0.02 -1.26 -3.25 135.00 129.89 1g3i n PRO 58 Ca -0.08 -0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 60.51 1g3i n PRO 58 Cb 0.60 -0.29 -0.05 0.00 -0.02 0.00 0.00 33.50 33.74 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 -1.51 4.36 -1.01 3.45 2.01 -1.26 -4.34 115.64 117.34 1g3i s THR 59 Ca 0.17 2.05 -0.16 0.00 0.31 0.00 0.00 61.69 64.05 1g3i s THR 59 Cb -0.01 -4.31 0.02 0.00 0.01 0.00 0.00 72.50 68.22 1g3i s THR 59 CO 0.12 0.36 0.66 0.61 -0.69 0.00 0.00 174.62 175.68 1g3i n GLY 60 N 2.06 -1.09 0.00 4.40 0.00 -1.26 -3.47 105.19 105.83 1g3i n GLY 60 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.73 0.63 0.00 1.61 0.24 -1.26 -1.87 118.33 113.94 1g3i n VAL 61 Ca -0.19 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.39 1g3i n VAL 61 Cb 0.62 0.73 0.00 0.00 -1.47 0.00 0.00 33.84 33.72 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 -0.32 1.51 0.25 7.63 0.00 -1.26 -4.87 105.19 108.14 1g3i n GLY 62 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.08 0.14 1.61 5.02 -1.26 -0.90 118.16 122.68 1g3i n LYS 63 Ca 0.00 1.08 -0.24 0.00 -2.02 0.00 0.00 58.31 57.13 1g3i n LYS 63 Cb 0.00 -1.62 -0.15 0.00 -0.02 0.00 0.00 35.03 33.24 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 1.28 0.34 -0.18 2.02 -1.99 -3.09 112.91 111.30 1g3i h THR 64 Ca 0.31 -2.65 -0.00 0.00 0.77 0.00 0.00 66.41 64.84 1g3i h THR 64 Cb 0.49 2.97 -0.02 0.00 -1.74 0.00 0.00 68.15 69.86 1g3i h THR 64 CO -0.71 0.80 -0.28 -0.33 0.37 0.00 0.00 175.52 175.36 1g3i h GLU 65 N 0.18 -0.61 -0.86 6.66 4.39 -1.44 0.80 114.58 123.70 1g3i h GLU 65 Ca -0.24 0.04 0.20 0.00 0.34 0.00 0.00 59.36 59.70 1g3i h GLU 65 Cb 2.12 0.14 -0.16 0.00 -0.10 0.00 0.00 28.75 30.76 1g3i h GLU 65 CO 0.27 -0.41 -0.05 0.82 -1.16 0.00 0.00 179.01 178.49 1g3i h ILE 66 N -0.63 0.19 -0.01 3.13 2.04 -1.22 1.32 117.51 122.32 1g3i h ILE 66 Ca -0.02 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1g3i h ILE 66 Cb 0.56 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1g3i h ILE 66 CO -0.02 0.01 -0.01 0.00 0.00 0.00 0.00 178.15 178.13 1g3i h ALA 67 N 1.84 0.02 -0.62 1.87 0.00 -1.17 0.12 119.26 121.33 1g3i h ALA 67 Ca 0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1g3i h ALA 67 Cb 0.86 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1g3i h ALA 67 CO -0.81 -0.25 0.36 -0.09 0.00 0.00 0.00 179.25 178.47 1g3i h ARG 68 N -0.40 0.83 -0.15 0.00 2.43 0.22 -1.44 114.38 115.88 1g3i h ARG 68 Ca 0.00 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 58.93 1g3i h ARG 68 Cb 0.46 -0.18 0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1g3i h ARG 68 CO 0.00 0.59 -0.58 0.00 -1.51 0.00 0.00 179.97 178.48 1g3i h ARG 69 N 0.85 0.66 -0.26 0.20 2.47 0.17 -1.35 114.38 117.11 1g3i h ARG 69 Ca 0.22 -0.51 0.06 0.00 -1.26 0.00 0.00 59.98 58.50 1g3i h ARG 69 Cb -0.02 0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.33 1g3i h ARG 69 CO -0.04 1.13 -0.15 1.25 0.56 0.00 0.00 179.97 182.71 1g3i h LEU 70 N 0.33 -0.51 -0.35 3.04 5.85 -0.22 0.90 115.31 124.36 1g3i h LEU 70 Ca -0.03 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.86 1g3i h LEU 70 Cb 1.21 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 42.45 1g3i h LEU 70 CO 0.12 -0.19 0.01 0.00 -0.34 0.00 0.00 178.44 178.04 1g3i h ALA 71 N 1.06 0.32 -0.46 1.25 0.00 -1.23 -2.36 119.26 117.85 1g3i h ALA 71 Ca 0.14 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1g3i h ALA 71 Cb 0.34 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1g3i h ALA 71 CO -0.34 -0.39 0.27 -0.22 0.00 0.00 0.00 179.25 178.56 1g3i h LYS 72 N 0.10 0.53 0.00 0.00 1.63 -0.03 -0.82 116.57 117.98 1g3i h LYS 72 Ca 0.17 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1g3i h LYS 72 Cb 0.23 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1g3i h LYS 72 CO -0.28 0.35 0.00 1.47 -3.45 0.00 0.00 179.45 177.54 1g3i n LEU 73 N -4.83 0.00 -0.40 5.20 -0.00 0.19 -1.49 117.00 115.66 1g3i n LEU 73 Ca 0.02 0.27 0.04 0.00 -0.00 0.00 0.00 56.01 56.34 1g3i n LEU 73 Cb 0.06 -0.27 0.08 0.00 -0.00 0.00 0.00 43.42 43.29 1g3i n LEU 73 CO 0.32 -0.06 0.51 0.00 -0.00 0.00 0.00 177.39 178.16 1g3i n ALA 74 N -1.27 2.26 -3.97 1.47 0.00 -0.71 -4.98 120.51 113.30 1g3i n ALA 74 Ca 0.11 -0.90 -0.41 0.00 0.00 0.00 0.00 53.44 52.24 1g3i n ALA 74 Cb 0.18 -0.29 0.02 0.00 0.00 0.00 0.00 19.45 19.36 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 0.30 -4.12 -4.35 0.00 5.15 -0.43 -4.94 115.26 106.88 1g3i n ASN 75 Ca 0.07 -1.21 -0.29 0.00 -0.60 0.00 0.00 54.58 52.54 1g3i n ASN 75 Cb 0.31 -2.20 -0.14 0.00 -0.53 0.00 0.00 39.78 37.22 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 2.25 0.08 5.20 0.00 -0.51 -5.04 121.76 120.17 1g3i s ALA 76 Ca 0.45 -1.33 -0.31 0.00 0.00 0.00 0.00 51.96 50.78 1g3i s ALA 76 Cb -0.22 -0.43 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 1g3i s ALA 76 CO 0.94 0.52 1.78 -2.14 0.00 0.00 0.00 175.76 176.86 1g3i s PRO 77 N -1.54 4.16 0.21 0.00 0.02 -1.24 -4.69 135.00 131.92 1g3i s PRO 77 Ca 0.12 2.47 0.09 0.00 0.02 0.00 0.00 61.00 63.71 1g3i s PRO 77 Cb -0.10 -3.73 -0.05 0.00 0.02 0.00 0.00 34.50 30.65 1g3i s PRO 77 CO 0.03 -0.83 -0.17 0.12 -0.33 0.00 0.00 177.00 175.83 1g3i s PHE 78 N 3.11 1.91 -0.28 6.54 5.36 -1.26 -1.65 117.98 131.70 1g3i s PHE 78 Ca 0.79 -0.48 -0.25 0.00 -0.96 0.00 0.00 56.93 56.04 1g3i s PHE 78 Cb -0.42 -0.89 0.11 0.00 -0.34 0.00 0.00 43.02 41.48 1g3i s PHE 78 CO 0.35 0.45 0.94 -1.50 -1.46 0.00 0.00 175.22 174.00 1g3i s ILE 79 N -2.55 0.00 0.03 3.12 1.10 -1.08 -4.93 121.20 116.89 1g3i s ILE 79 Ca 0.22 0.00 0.07 0.00 -0.51 0.00 0.00 60.65 60.44 1g3i s ILE 79 Cb -0.03 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.55 1g3i s ILE 79 CO 0.09 0.00 -0.21 -0.75 -2.11 0.00 0.00 174.94 171.96 1g3i s LYS 80 N 0.31 2.04 -0.11 3.50 2.20 -1.26 -0.42 119.74 125.99 1g3i s LYS 80 Ca 0.02 -0.99 -0.10 0.00 -0.36 0.00 0.00 55.97 54.55 1g3i s LYS 80 Cb -0.05 -2.14 0.03 0.00 -1.51 0.00 0.00 37.83 34.16 1g3i s LYS 80 CO -0.05 0.54 0.29 0.14 -0.36 0.00 0.00 175.35 175.92 1g3i s VAL 81 N -0.85 -0.00 0.46 4.02 -7.23 -0.00 -4.95 120.40 111.85 1g3i s VAL 81 Ca 0.13 0.01 -0.22 0.00 -1.81 0.00 0.00 61.98 60.09 1g3i s VAL 81 Cb -0.10 -0.41 -0.08 0.00 0.56 0.00 0.00 36.38 36.35 1g3i s VAL 81 CO 0.03 0.00 1.13 -1.61 -0.31 0.00 0.00 175.10 174.34 1g3i s GLU 82 N 0.24 3.78 0.14 4.82 0.41 -1.26 -0.30 118.70 126.54 1g3i s GLU 82 Ca -0.01 1.66 -0.03 0.00 -0.41 0.00 0.00 54.97 56.19 1g3i s GLU 82 Cb -0.03 -2.35 -0.05 0.00 -1.78 0.00 0.00 34.13 29.93 1g3i s GLU 82 CO -0.00 -0.50 1.34 0.00 -0.49 0.00 0.00 175.26 175.60 1g3i h ALA 83 N 1.97 0.43 0.00 5.21 0.00 -1.34 -2.79 119.26 122.74 1g3i h ALA 83 Ca -0.49 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1g3i h ALA 83 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1g3i h ALA 83 CO 0.60 0.82 0.00 0.25 0.00 0.00 0.00 179.25 180.92 1g3i n THR 84 N -3.75 0.67 0.19 0.00 -2.24 -1.26 -2.66 114.28 105.22 1g3i n THR 84 Ca -0.06 0.17 0.12 0.00 -2.27 0.00 0.00 64.05 62.01 1g3i n THR 84 Cb 0.80 -0.90 0.61 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.23 -0.78 3.64 -1.88 -2.12 116.57 115.21 1g3i h LYS 85 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1g3i h LYS 85 Cb 0.20 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1g3i h LYS 85 CO 0.00 0.00 -0.08 1.19 -2.27 0.00 0.00 179.45 178.29 1g3i n PHE 86 N -2.29 0.74 0.71 1.91 3.01 -1.09 -4.92 117.46 115.54 1g3i n PHE 86 Ca -0.01 -1.25 0.00 0.00 1.01 0.00 0.00 57.45 57.19 1g3i n PHE 86 Cb 0.05 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.17 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 -0.98 0.47 -2.42 4.37 -1.04 -0.80 -4.82 114.28 109.06 1g3i n THR 87 Ca 0.25 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.84 1g3i n THR 87 Cb 0.89 -0.69 -0.02 0.00 -1.82 0.00 0.00 70.33 68.69 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 -0.16 3.41 0.44 -2.82 2.56 -1.26 -5.10 118.70 115.78 1g3i s GLU 95 Ca 0.00 0.54 0.18 0.00 0.00 0.00 0.00 54.97 55.69 1g3i s GLU 95 Cb 0.00 -4.08 1.04 0.00 2.00 0.00 0.00 34.13 33.10 1g3i s GLU 95 CO 0.00 -1.79 1.96 -0.24 -0.56 0.00 0.00 175.26 174.62 1g3i h VAL 96 N 6.36 0.98 0.00 3.70 3.04 -1.97 -1.99 116.25 126.37 1g3i h VAL 96 Ca -0.26 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 1g3i h VAL 96 Cb 1.09 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.84 1g3i h VAL 96 CO 1.16 0.22 0.00 0.44 -1.01 0.00 0.00 177.57 178.38 1g3i h ASP 97 N 0.00 0.00 -0.36 3.17 3.32 -2.02 -1.51 116.42 119.02 1g3i h ASP 97 Ca -0.00 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.15 1g3i h ASP 97 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1g3i h ASP 97 CO 0.03 0.00 0.26 0.77 -1.72 0.00 0.00 179.24 178.58 1g3i h SER 98 N 0.00 0.00 0.10 6.45 4.64 -1.79 -1.83 113.55 121.12 1g3i h SER 98 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 1g3i h SER 98 Cb 0.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1g3i h SER 98 CO 0.00 0.00 -0.21 0.40 -0.87 0.00 0.00 176.83 176.15 1g3i h ILE 99 N 0.00 0.51 -0.66 0.95 2.04 -1.48 0.41 117.51 119.28 1g3i h ILE 99 Ca 0.17 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.96 1g3i h ILE 99 Cb 0.68 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1g3i h ILE 99 CO -0.00 0.00 0.15 0.40 0.00 0.00 0.00 178.15 178.70 1g3i h ILE 100 N -0.39 1.25 0.35 -0.67 1.08 -1.58 -1.40 117.51 116.15 1g3i h ILE 100 Ca 0.03 -0.94 -0.01 0.00 -0.39 0.00 0.00 64.86 63.55 1g3i h ILE 100 Cb 0.42 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.74 1g3i h ILE 100 CO -0.13 0.36 -0.30 -0.09 -0.69 0.00 0.00 178.15 177.30 1g3i h ARG 101 N 1.00 -0.61 -1.00 2.37 2.43 -0.52 -0.06 114.38 117.98 1g3i h ARG 101 Ca 0.21 0.04 0.26 0.00 -0.81 0.00 0.00 59.98 59.68 1g3i h ARG 101 Cb 0.36 0.14 -0.07 0.00 -0.42 0.00 0.00 29.97 29.98 1g3i h ARG 101 CO 0.00 -0.41 0.67 -0.44 -1.51 0.00 0.00 179.97 178.28 1g3i h ASP 102 N -0.64 0.32 0.14 -3.80 3.45 -0.15 0.51 116.42 116.25 1g3i h ASP 102 Ca -0.05 0.05 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 1g3i h ASP 102 Cb 0.54 -0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1g3i h ASP 102 CO -0.01 0.09 -0.07 0.25 -1.57 0.00 0.00 179.24 177.93 1g3i h LEU 103 N 0.30 -0.16 -0.98 1.55 5.85 -0.34 -1.43 115.31 120.09 1g3i h LEU 103 Ca 0.53 -0.12 0.13 0.00 0.84 0.00 0.00 57.88 59.26 1g3i h LEU 103 Cb 1.53 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 42.52 1g3i h LEU 103 CO -0.19 0.02 0.61 0.74 -0.34 0.00 0.00 178.44 179.28 1g3i h THR 104 N -0.33 0.89 -0.80 1.05 2.02 0.91 -0.67 112.91 115.98 1g3i h THR 104 Ca -0.02 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.83 1g3i h THR 104 Cb 0.26 -0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.51 1g3i h THR 104 CO 0.03 0.17 0.48 0.44 0.37 0.00 0.00 175.52 177.01 1g3i h ASP 105 N 0.94 0.96 -0.48 4.18 5.19 -0.85 -2.40 116.42 123.96 1g3i h ASP 105 Ca 0.50 -0.07 -0.10 0.00 -0.62 0.00 0.00 57.03 56.74 1g3i h ASP 105 Cb 0.53 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1g3i h ASP 105 CO -0.28 0.75 -0.06 -1.28 -3.12 0.00 0.00 179.24 175.25 1g3i h SER 106 N 1.10 0.91 -0.09 6.45 0.87 -0.09 -2.07 113.55 120.64 1g3i h SER 106 Ca 0.29 -0.27 0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1g3i h SER 106 Cb -0.03 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.68 1g3i h SER 106 CO -0.05 1.01 0.15 0.00 -0.53 0.00 0.00 176.83 177.40 1g3i h ALA 107 N 1.08 1.49 -1.08 6.23 0.00 -0.73 -1.72 119.26 124.54 1g3i h ALA 107 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1g3i h ALA 107 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1g3i h ALA 107 CO 0.04 -0.19 0.00 -1.33 0.00 0.00 0.00 179.25 177.76 1g3i n MET 108 N -3.47 0.00 -0.64 0.00 2.00 -0.78 -1.53 117.12 112.69 1g3i n MET 108 Ca -0.01 0.32 0.50 0.00 0.00 0.00 0.00 57.70 58.51 1g3i n MET 108 Cb 0.24 -1.03 0.79 0.00 0.00 0.00 0.00 33.22 33.22 1g3i n MET 108 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 1g3i h LYS 109 N 0.00 0.00 0.39 0.03 3.64 -1.51 0.99 116.57 120.12 1g3i h LYS 109 Ca 0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1g3i h LYS 109 Cb 0.00 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1g3i h LYS 109 CO 0.00 0.00 -0.19 1.25 -2.27 0.00 0.00 179.45 178.24 1g3i h LEU 110 N 0.00 -0.45 -0.55 5.20 5.85 -1.35 -2.68 115.31 121.35 1g3i h LEU 110 Ca 0.92 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 59.43 1g3i h LEU 110 Cb 3.50 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 44.63 1g3i h LEU 110 CO -0.13 -0.01 -0.12 0.58 -0.34 0.00 0.00 178.44 178.41 1g3i h VAL 111 N -1.04 1.27 0.00 1.05 2.07 0.11 -3.10 116.25 116.61 1g3i h VAL 111 Ca -0.05 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1g3i h VAL 111 Cb 0.51 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1g3i h VAL 111 CO 0.09 0.46 0.00 -1.14 0.02 0.00 0.00 177.57 176.99 1g3i n ARG 112 N -4.14 0.00 -0.04 1.57 3.00 0.29 -1.69 116.66 115.65 1g3i n ARG 112 Ca 0.01 0.14 -0.00 0.00 -0.00 0.00 0.00 57.85 58.00 1g3i n ARG 112 Cb 0.41 -0.98 -0.00 0.00 0.00 0.00 0.00 32.46 31.89 1g3i n ARG 112 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1g3i n GLN 113 N -0.62 0.08 0.00 -0.14 -0.06 -1.01 0.57 117.38 116.20 1g3i n GLN 113 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1g3i n GLN 113 Cb 0.00 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.71 1g3i n GLN 113 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1g3i n GLN 114 N 2.04 0.37 -2.54 3.69 6.02 -0.68 -4.60 117.38 121.67 1g3i n GLN 114 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 1g3i n GLN 114 Cb 0.04 -0.03 0.03 0.00 1.02 0.00 0.00 30.24 31.30 1g3i n GLN 114 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1g3i n GLU 115 N 0.00 2.33 0.00 -1.09 1.02 0.19 -4.15 120.64 118.95 1g3i n GLU 115 Ca 0.00 -3.76 0.00 0.00 -0.02 0.00 0.00 57.16 53.38 1g3i n GLU 115 Cb 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 1g3i n GLU 115 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1g3i n ILE 116 N -0.52 0.00 0.19 -3.67 5.41 -1.22 -4.50 119.36 115.06 1g3i n ILE 116 Ca 0.21 0.00 0.08 0.00 1.00 0.00 0.00 62.75 64.04 1g3i n ILE 116 Cb 0.83 0.00 0.15 0.00 -0.71 0.00 0.00 39.64 39.91 1g3i n ILE 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i n ALA 117 N -0.65 2.36 -1.02 -1.39 0.00 -1.26 -3.78 120.51 114.76 1g3i n ALA 117 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1g3i n ALA 117 Cb 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1g3i n ALA 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1g3i n LYS 118 N 0.94 0.00 -0.07 0.00 0.00 -1.26 -4.77 118.16 113.00 1g3i n LYS 118 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.44 1g3i n LYS 118 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.49 1g3i n LYS 118 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1g3i n ASN 119 N -0.97 2.76 -0.27 3.14 4.13 -1.26 -5.02 115.26 117.77 1g3i n ASN 119 Ca 0.00 -1.70 0.02 0.00 1.68 0.00 0.00 54.58 54.57 1g3i n ASN 119 Cb 0.00 -0.49 -0.00 0.00 -1.54 0.00 0.00 39.78 37.74 1g3i n ASN 119 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1g3i n ARG 120 N 0.78 -0.24 0.00 3.52 1.74 -1.25 -4.60 116.66 116.62 1g3i n ARG 120 Ca 0.00 0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1g3i n ARG 120 Cb 0.40 -0.29 0.00 0.00 -1.02 0.00 0.00 32.46 31.55 1g3i n ARG 120 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1g3i n ILE 227 N -0.78 0.00 0.46 0.55 3.06 -1.26 -4.63 119.36 116.77 1g3i n ILE 227 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1g3i n ILE 227 Cb 0.05 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.23 1g3i n ILE 227 CO 0.00 0.00 0.00 -0.90 -2.50 0.00 0.00 176.55 173.15 1g3i n ASP 228 N -3.84 2.65 -0.05 9.51 5.68 -1.26 -3.02 116.55 126.21 1g3i n ASP 228 Ca 0.00 -1.62 -0.03 0.00 -0.50 0.00 0.00 54.79 52.64 1g3i n ASP 228 Cb 0.00 -0.48 -0.11 0.00 -1.14 0.00 0.00 41.12 39.39 1g3i n ASP 228 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1g3i n ASP 229 N 0.88 1.68 -0.62 -1.12 -0.08 -1.26 -4.31 116.55 111.73 1g3i n ASP 229 Ca 0.00 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.30 1g3i n ASP 229 Cb 0.37 1.03 0.07 0.00 2.34 0.00 0.00 41.12 44.93 1g3i n ASP 229 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1g3i n GLU 230 N -2.38 1.62 -0.05 -0.67 0.28 -1.17 -3.55 120.64 114.72 1g3i n GLU 230 Ca -0.17 -0.57 -0.07 0.00 -0.16 0.00 0.00 57.16 56.19 1g3i n GLU 230 Cb 0.81 -1.49 -0.14 0.00 1.43 0.00 0.00 31.44 32.05 1g3i n GLU 230 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1g3i n ALA 231 N 0.06 1.65 0.51 -1.84 0.00 -1.26 -4.06 120.51 115.57 1g3i n ALA 231 Ca 0.05 -0.97 0.06 0.00 0.00 0.00 0.00 53.44 52.58 1g3i n ALA 231 Cb 0.34 -0.56 0.28 0.00 0.00 0.00 0.00 19.45 19.50 1g3i n ALA 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g3i n ALA 232 N -2.60 1.66 -1.81 0.00 0.00 -1.23 -4.55 120.51 111.98 1g3i n ALA 232 Ca -0.22 -0.05 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 1g3i n ALA 232 Cb 1.04 -1.19 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 1g3i n ALA 232 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1g3i s LYS 233 N -2.65 4.38 0.00 0.00 2.36 -1.26 -4.35 119.74 118.22 1g3i s LYS 233 Ca 0.10 1.20 0.00 0.00 -2.55 0.00 0.00 55.97 54.72 1g3i s LYS 233 Cb 0.08 -2.46 0.00 0.00 -1.05 0.00 0.00 37.83 34.40 1g3i s LYS 233 CO 0.18 0.11 0.00 -0.11 1.55 0.00 0.00 175.35 177.08 1g3i n LEU 234 N -0.11 0.00 0.00 5.43 0.00 -1.26 -4.83 117.00 116.23 1g3i n LEU 234 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.06 1g3i n LEU 234 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.94 1g3i n LEU 234 CO 0.40 0.00 0.00 -0.38 0.00 0.00 0.00 177.39 177.41 1g3i n ILE 235 N 0.00 0.00 -3.20 1.96 5.41 -1.26 -4.78 119.36 117.49 1g3i n ILE 235 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 1g3i n ILE 235 Cb 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 38.96 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 -7.10 -0.20 4.38 5.15 -1.26 -4.24 115.26 111.98 1g3i n ASN 236 Ca 0.00 -0.42 0.14 0.00 -0.60 0.00 0.00 54.58 53.70 1g3i n ASN 236 Cb 0.00 -5.05 0.26 0.00 -0.53 0.00 0.00 39.78 34.46 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 -2.54 -0.04 0.00 1.20 -0.02 -1.26 0.13 135.00 132.47 1g3i n PRO 237 Ca -0.04 0.87 0.04 0.00 -2.02 0.00 0.00 63.50 62.35 1g3i n PRO 237 Cb 0.56 -1.47 0.20 0.00 -0.02 0.00 0.00 33.50 32.77 1g3i n PRO 237 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1g3i n GLU 238 N -4.58 0.06 -0.11 -0.52 2.13 -1.26 -2.64 120.64 113.73 1g3i n GLU 238 Ca 0.18 0.28 -0.17 0.00 0.66 0.00 0.00 57.16 58.11 1g3i n GLU 238 Cb 0.61 -1.50 -0.09 0.00 0.27 0.00 0.00 31.44 30.73 1g3i n GLU 238 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1g3i n GLU 239 N -1.39 0.51 -0.19 5.31 2.13 0.35 -3.93 120.64 123.44 1g3i n GLU 239 Ca 0.03 0.15 -0.07 0.00 0.66 0.00 0.00 57.16 57.93 1g3i n GLU 239 Cb 0.08 -1.39 -0.01 0.00 0.27 0.00 0.00 31.44 30.40 1g3i n GLU 239 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1g3i h LEU 240 N -0.22 -1.23 0.03 4.31 5.85 -1.39 0.31 115.31 122.96 1g3i h LEU 240 Ca -0.50 0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1g3i h LEU 240 Cb 1.66 0.59 -0.05 0.00 0.37 0.00 0.00 40.66 43.23 1g3i h LEU 240 CO -0.15 -0.32 -0.51 0.11 -0.34 0.00 0.00 178.44 177.23 1g3i h LYS 241 N -0.20 -0.65 0.00 1.25 1.57 -1.75 0.59 116.57 117.38 1g3i h LYS 241 Ca 0.21 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1g3i h LYS 241 Cb 0.55 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1g3i h LYS 241 CO -0.65 -0.44 0.05 0.94 -0.57 0.00 0.00 179.45 178.79 1g3i n GLN 242 N -5.47 0.00 -0.09 3.15 -0.06 -0.09 -0.43 117.38 114.39 1g3i n GLN 242 Ca -0.07 0.23 -0.10 0.00 -2.00 0.00 0.00 57.00 55.05 1g3i n GLN 242 Cb 0.40 -1.55 -0.12 0.00 -4.06 0.00 0.00 30.24 24.91 1g3i n GLN 242 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1g3i n LYS 243 N -1.18 1.11 0.00 3.69 4.81 0.11 -4.17 118.16 122.53 1g3i n LYS 243 Ca 0.00 0.03 -0.09 0.00 -0.87 0.00 0.00 58.31 57.38 1g3i n LYS 243 Cb 0.05 -1.42 0.07 0.00 0.02 0.00 0.00 35.03 33.76 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 0.57 0.74 -0.85 3.14 0.00 0.17 -2.02 119.26 121.01 1g3i h ALA 244 Ca -0.45 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 53.98 1g3i h ALA 244 Cb 1.92 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.58 1g3i h ALA 244 CO -0.00 0.68 0.56 0.82 0.00 0.00 0.00 179.25 181.31 1g3i h ILE 245 N 0.44 1.20 0.69 0.00 2.04 -1.47 0.45 117.51 120.86 1g3i h ILE 245 Ca 0.02 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1g3i h ILE 245 Cb 1.04 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1g3i h ILE 245 CO 0.10 0.21 -0.34 0.44 0.00 0.00 0.00 178.15 178.56 1g3i h ASP 246 N 1.14 -0.80 -0.95 1.72 3.32 -1.63 0.12 116.42 119.34 1g3i h ASP 246 Ca 0.32 0.03 0.20 0.00 0.02 0.00 0.00 57.03 57.60 1g3i h ASP 246 Cb -0.10 0.21 -0.18 0.00 0.22 0.00 0.00 39.33 39.48 1g3i h ASP 246 CO -0.08 -0.57 -0.18 0.00 -1.72 0.00 0.00 179.24 176.69 1g3i h ALA 247 N -0.62 0.73 0.50 3.45 0.00 -0.66 2.73 119.26 125.38 1g3i h ALA 247 Ca -0.09 0.36 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1g3i h ALA 247 Cb 0.72 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1g3i h ALA 247 CO 0.15 -0.42 -0.24 0.28 0.00 0.00 0.00 179.25 179.02 1g3i h VAL 248 N 0.01 0.00 -0.95 0.00 2.07 -0.73 0.12 116.25 116.77 1g3i h VAL 248 Ca 0.48 -0.18 0.24 0.00 0.82 0.00 0.00 66.70 68.07 1g3i h VAL 248 Cb 0.79 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.44 1g3i h VAL 248 CO -0.95 0.00 0.49 -0.33 0.02 0.00 0.00 177.57 176.79 1g3i h GLU 249 N -0.84 0.44 0.00 1.57 5.08 0.13 -1.59 114.58 119.36 1g3i h GLU 249 Ca -0.07 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1g3i h GLU 249 Cb 0.51 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1g3i h GLU 249 CO 0.11 0.29 -0.26 1.96 -1.00 0.00 0.00 179.01 180.11 1g3i h GLN 250 N 0.45 0.00 -1.39 2.33 1.08 0.47 -3.37 115.11 114.68 1g3i h GLN 250 Ca 0.61 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 57.27 1g3i h GLN 250 Cb 1.21 0.00 -0.42 0.00 -0.05 0.00 0.00 27.48 28.22 1g3i h GLN 250 CO -0.52 0.26 -0.82 0.09 -0.95 0.00 0.00 178.83 176.88 1g3i n ASN 251 N -4.67 4.10 -4.81 1.46 3.02 0.03 -4.79 115.26 109.58 1g3i n ASN 251 Ca -0.07 -3.52 -0.37 0.00 -0.03 0.00 0.00 54.58 50.58 1g3i n ASN 251 Cb 0.22 -0.47 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 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 -3.47 2.64 -0.10 7.41 0.00 -0.60 -3.71 107.32 109.49 1g3i s GLY 252 Ca 0.44 0.06 0.04 0.00 0.00 0.00 0.00 44.72 45.26 1g3i s GLY 252 CO -0.14 0.45 -0.23 -0.42 0.00 0.00 0.00 173.10 172.76 1g3i s ILE 253 N -1.27 2.15 -0.13 0.90 -1.09 -0.66 0.57 121.20 121.67 1g3i s ILE 253 Ca 0.34 -0.99 0.02 0.00 -2.23 0.00 0.00 60.65 57.80 1g3i s ILE 253 Cb -0.18 -1.83 0.01 0.00 -1.58 0.00 0.00 42.46 38.88 1g3i s ILE 253 CO 0.20 0.56 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.60 1g3i s VAL 254 N 0.36 1.76 -0.31 2.92 1.01 -0.22 -2.65 120.40 123.27 1g3i s VAL 254 Ca -0.18 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1g3i s VAL 254 Cb -0.18 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1g3i s VAL 254 CO 0.08 0.49 0.17 0.12 0.00 0.00 0.00 175.10 175.96 1g3i s PHE 255 N 0.97 3.19 -0.53 5.22 5.36 0.44 -0.50 117.98 132.13 1g3i s PHE 255 Ca -0.05 -0.51 -0.15 0.00 -0.96 0.00 0.00 56.93 55.26 1g3i s PHE 255 Cb -0.15 -2.37 0.13 0.00 -0.34 0.00 0.00 43.02 40.29 1g3i s PHE 255 CO -0.03 -0.44 0.47 0.42 -1.46 0.00 0.00 175.22 174.18 1g3i s ILE 256 N 1.63 5.05 0.47 3.12 1.01 0.83 -0.82 121.20 132.48 1g3i s ILE 256 Ca 0.05 -1.53 -0.19 0.00 0.00 0.00 0.00 60.65 58.97 1g3i s ILE 256 Cb -0.17 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 37.96 1g3i s ILE 256 CO 0.07 -0.84 0.97 -0.62 0.00 0.00 0.00 174.94 174.52 1g3i s ASP 257 N 3.41 6.74 -1.40 3.58 2.15 0.59 -1.62 116.67 130.12 1g3i s ASP 257 Ca 0.03 1.69 -0.10 0.00 0.43 0.00 0.00 52.55 54.60 1g3i s ASP 257 Cb -0.29 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 39.81 1g3i s ASP 257 CO 0.03 -0.50 0.32 -0.62 -0.17 0.00 0.00 175.17 174.23 1g3i n GLU 258 N -1.00 -1.33 0.20 4.34 1.02 -0.80 -1.14 120.64 121.92 1g3i n GLU 258 Ca 0.07 0.19 0.07 0.00 -0.02 0.00 0.00 57.16 57.47 1g3i n GLU 258 Cb 0.54 -3.58 0.39 0.00 -0.02 0.00 0.00 31.44 28.76 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 -2.02 0.79 0.00 -3.67 2.10 -1.42 -1.58 117.51 111.70 1g3i h ILE 259 Ca -0.67 -1.36 0.00 0.00 1.08 0.00 0.00 64.86 63.91 1g3i h ILE 259 Cb 1.39 1.85 0.00 0.00 -1.09 0.00 0.00 36.82 38.97 1g3i h ILE 259 CO 0.63 0.32 0.00 -2.24 -1.08 0.00 0.00 178.15 175.77 1g3i h ASP 260 N 0.00 0.00 0.86 2.19 2.03 -1.89 -1.25 116.42 118.36 1g3i h ASP 260 Ca -0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.13 1g3i h ASP 260 Cb 0.83 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.30 1g3i h ASP 260 CO 0.04 0.00 -0.79 0.11 -1.03 0.00 0.00 179.24 177.57 1g3i h LYS 261 N 0.00 0.00 -0.86 4.15 1.79 -1.65 -3.03 116.57 116.97 1g3i h LYS 261 Ca 0.00 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.27 1g3i h LYS 261 Cb 0.05 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 30.57 1g3i h LYS 261 CO 0.00 0.79 0.26 0.44 -1.08 0.00 0.00 179.45 179.86 1g3i n ILE 262 N -3.54 2.33 -0.39 1.86 -5.35 -0.48 -4.83 119.36 108.96 1g3i n ILE 262 Ca -0.00 -1.22 0.00 0.00 -0.27 0.00 0.00 62.75 61.26 1g3i n ILE 262 Cb 0.78 -0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.19 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 0.65 1.30 0.00 0.00 0.00 -1.26 -4.27 119.74 116.16 1g3i s LYS 264 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 55.97 54.51 1g3i s LYS 264 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 37.83 36.52 1g3i s LYS 264 CO 0.00 0.25 0.00 0.36 0.00 0.00 0.00 175.35 175.96 1g3i n LYS 265 N 0.11 0.00 0.00 1.78 2.85 -1.26 -4.85 118.16 116.79 1g3i n LYS 265 Ca -0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 1g3i n LYS 265 Cb 0.58 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.96 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 3.97 2.58 0.00 -1.26 -5.14 105.19 105.34 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 -0.05 4.61 0.00 -1.26 -4.67 120.51 119.14 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 -0.39 -0.15 0.00 0.00 0.00 0.00 19.45 18.91 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 0.69 0.14 0.00 -0.08 -1.26 -3.82 116.55 112.22 1g3i n ASP 272 Ca 0.00 0.24 0.12 0.00 -1.51 0.00 0.00 54.79 53.65 1g3i n ASP 272 Cb 0.00 0.24 0.50 0.00 2.34 0.00 0.00 41.12 44.20 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 -2.98 0.82 0.04 5.18 0.24 -1.26 -0.99 118.33 119.38 1g3i n VAL 273 Ca -0.24 0.23 -0.05 0.00 -2.04 0.00 0.00 64.34 62.23 1g3i n VAL 273 Cb 1.09 -1.17 0.14 0.00 -1.47 0.00 0.00 33.84 32.42 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 0.43 0.00 -1.34 0.02 -1.94 -2.90 113.55 107.81 1g3i h SER 274 Ca 0.00 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.67 1g3i h SER 274 Cb 0.37 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1g3i h SER 274 CO 0.00 0.83 -0.57 0.03 -1.14 0.00 0.00 176.83 175.99 1g3i h ARG 275 N 0.32 0.00 0.00 3.45 3.08 -1.39 -3.31 114.38 116.54 1g3i h ARG 275 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1g3i h ARG 275 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1g3i h ARG 275 CO 0.08 0.52 0.00 -1.91 -1.07 0.00 0.00 179.97 177.59 1g3i n GLU 276 N -4.59 0.00 -0.09 0.04 2.13 -0.16 0.75 120.64 118.72 1g3i n GLU 276 Ca -0.15 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.56 1g3i n GLU 276 Cb 0.39 -1.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.02 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 -0.39 -0.31 0.33 8.31 0.00 -1.10 -4.21 105.19 107.83 1g3i n GLY 277 Ca 0.00 -0.13 0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.51 0.66 1.61 2.07 0.24 0.80 116.25 122.15 1g3i h VAL 278 Ca -0.40 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 1g3i h VAL 278 Cb 1.66 0.87 0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1g3i h VAL 278 CO -0.05 0.00 -0.32 1.56 0.02 0.00 0.00 177.57 178.78 1g3i h GLN 279 N 0.00 -0.86 -0.73 1.57 4.20 -1.74 0.32 115.11 117.87 1g3i h GLN 279 Ca 0.07 0.06 0.21 0.00 0.06 0.00 0.00 58.65 59.05 1g3i h GLN 279 Cb 0.40 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.35 1g3i h GLN 279 CO -0.00 -0.55 0.54 0.00 -0.67 0.00 0.00 178.83 178.16 1g3i h ARG 280 N -1.18 0.00 0.00 1.46 2.47 -1.37 0.46 114.38 116.22 1g3i h ARG 280 Ca -0.09 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 58.53 1g3i h ARG 280 Cb 0.71 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.01 1g3i h ARG 280 CO 0.15 0.00 -0.47 -0.44 0.56 0.00 0.00 179.97 179.77 1g3i h ASP 281 N 0.00 0.00 1.30 7.04 3.32 -0.23 -3.17 116.42 124.68 1g3i h ASP 281 Ca 0.35 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 1g3i h ASP 281 Cb 1.43 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.98 1g3i h ASP 281 CO -0.00 0.47 -0.70 -0.07 -1.72 0.00 0.00 179.24 177.22 1g3i h LEU 282 N 0.00 0.00 -0.13 1.55 3.38 0.20 -3.40 115.31 116.91 1g3i h LEU 282 Ca -0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1g3i h LEU 282 Cb 1.08 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1g3i h LEU 282 CO 0.06 0.00 -0.33 -0.07 0.09 0.00 0.00 178.44 178.20 1g3i h LEU 283 N 0.00 -1.05 -1.62 1.67 3.38 -1.33 -1.60 115.31 114.77 1g3i h LEU 283 Ca -0.00 0.13 0.47 0.00 0.09 0.00 0.00 57.88 58.57 1g3i h LEU 283 Cb 1.00 0.42 -0.11 0.00 0.09 0.00 0.00 40.66 42.06 1g3i h LEU 283 CO 0.00 -0.27 1.02 -0.65 0.09 0.00 0.00 178.44 178.63 1g3i h PRO 284 N -0.31 0.04 0.28 1.13 0.11 -1.78 1.61 132.00 133.08 1g3i h PRO 284 Ca 0.03 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1g3i h PRO 284 Cb 0.39 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.49 1g3i h PRO 284 CO -0.29 0.03 -0.14 -0.07 -0.21 0.00 0.00 178.00 177.33 1g3i h LEU 285 N 0.04 -0.32 -0.08 2.35 4.07 -1.59 -0.76 115.31 119.03 1g3i h LEU 285 Ca 0.85 0.01 0.04 0.00 0.08 0.00 0.00 57.88 58.86 1g3i h LEU 285 Cb 2.94 0.08 -0.05 0.00 1.08 0.00 0.00 40.66 44.71 1g3i h LEU 285 CO -0.28 0.04 -0.26 0.58 -1.08 0.00 0.00 178.44 177.45 1g3i h VAL 286 N -0.92 0.40 0.00 1.22 2.07 -0.32 -2.29 116.25 116.41 1g3i h VAL 286 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1g3i h VAL 286 Cb 0.29 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1g3i h VAL 286 CO 0.06 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.28 1g3i h GLU 287 N -0.36 0.00 0.00 1.57 5.08 0.21 -3.47 114.58 117.62 1g3i h GLU 287 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1g3i h GLU 287 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1g3i h GLU 287 CO -0.28 0.05 0.00 0.41 -1.00 0.00 0.00 179.01 178.19 1g3i n GLY 288 N -0.55 1.32 0.00 -3.84 0.00 -0.35 -4.91 105.19 96.86 1g3i n GLY 288 Ca -0.01 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.97 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 -4.25 1.61 3.41 -0.87 -4.82 113.62 108.70 1g3i n SER 289 Ca 0.00 -0.79 -0.26 0.00 -0.26 0.00 0.00 58.87 57.55 1g3i n SER 289 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 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 -2.97 1.71 -0.00 6.66 2.01 -1.26 -1.21 115.64 120.58 1g3i s THR 290 Ca 0.00 -1.14 0.01 0.00 0.31 0.00 0.00 61.69 60.87 1g3i s THR 290 Cb 0.00 -1.47 -0.00 0.00 0.01 0.00 0.00 72.50 71.04 1g3i s THR 290 CO 0.00 0.29 -0.03 0.68 -0.69 0.00 0.00 174.62 174.87 1g3i s VAL 291 N -0.72 0.27 -0.11 3.82 -7.23 -0.94 -5.00 120.40 110.49 1g3i s VAL 291 Ca 0.08 -0.14 -0.26 0.00 -1.81 0.00 0.00 61.98 59.84 1g3i s VAL 291 Cb -0.09 -0.23 -0.02 0.00 0.56 0.00 0.00 36.38 36.60 1g3i s VAL 291 CO 0.01 0.08 0.87 -0.55 -0.31 0.00 0.00 175.10 175.19 1g3i s SER 292 N -0.05 7.08 0.31 4.85 0.15 -1.26 -2.58 113.70 122.20 1g3i s SER 292 Ca 0.01 1.32 0.09 0.00 0.70 0.00 0.00 55.95 58.07 1g3i s SER 292 Cb -0.02 -2.48 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 1g3i s SER 292 CO -0.00 -0.34 0.01 0.42 1.20 0.00 0.00 173.24 174.54 1g3i s THR 293 N 1.71 2.96 -1.25 6.45 -4.23 0.10 -4.91 115.64 116.46 1g3i s THR 293 Ca 0.42 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.00 1g3i s THR 293 Cb -0.18 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1g3i s THR 293 CO 0.17 -0.27 0.42 2.29 -0.54 0.00 0.00 174.62 176.69 1g3i n LYS 294 N -0.94 0.67 0.00 3.99 2.85 -1.26 -1.31 118.16 122.15 1g3i n LYS 294 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1g3i n LYS 294 Cb 0.61 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.74 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 -0.00 0.00 0.00 5.58 8.25 -1.26 -5.13 115.22 122.66 1g3i n HIS 295 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1g3i n HIS 295 Cb 0.12 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 0.39 0.81 3.70 -1.41 0.00 -0.43 -4.73 105.19 103.53 1g3i n GLY 296 Ca 0.00 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.40 4.29 0.19 1.61 -1.94 -1.26 -0.72 119.30 120.06 1g3i s MET 297 Ca 0.00 0.39 0.11 0.00 -1.71 0.00 0.00 55.69 54.48 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 0.08 -0.21 0.14 -0.01 0.00 0.00 175.02 175.02 1g3i s VAL 298 N 0.89 2.52 -0.15 -6.03 -7.23 -1.06 -5.00 120.40 104.34 1g3i s VAL 298 Ca 0.24 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1g3i s VAL 298 Cb -0.15 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.58 1g3i s VAL 298 CO 0.09 -0.12 -0.19 -0.54 -0.31 0.00 0.00 175.10 174.04 1g3i s LYS 299 N -2.70 3.10 0.00 4.82 1.02 -1.26 -2.21 119.74 122.51 1g3i s LYS 299 Ca 0.22 -0.81 0.23 0.00 0.02 0.00 0.00 55.97 55.63 1g3i s LYS 299 Cb -0.08 -2.53 1.13 0.00 -0.52 0.00 0.00 37.83 35.84 1g3i s LYS 299 CO 0.11 -0.01 1.76 0.25 -0.92 0.00 0.00 175.35 176.54 1g3i n THR 300 N 4.10 0.30 -0.31 2.17 -2.24 -0.35 -3.96 114.28 113.99 1g3i n THR 300 Ca -0.20 0.07 0.16 0.00 -2.27 0.00 0.00 64.05 61.82 1g3i n THR 300 Cb 0.52 -0.69 0.35 0.00 -2.10 0.00 0.00 70.33 68.41 1g3i n THR 300 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1g3i h ASP 301 N 0.00 0.16 -0.01 3.42 5.19 -1.80 -2.95 116.42 120.43 1g3i h ASP 301 Ca 0.00 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.61 1g3i h ASP 301 Cb 0.26 0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1g3i h ASP 301 CO 0.00 -0.15 -0.21 1.41 -3.12 0.00 0.00 179.24 177.18 1g3i n HIS 302 N -5.17 0.00 -1.62 4.55 8.25 -1.25 -4.68 115.22 115.29 1g3i n HIS 302 Ca 0.25 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.29 1g3i n HIS 302 Cb 0.78 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.90 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 -0.01 2.37 -3.37 1.59 2.08 -1.11 -4.73 119.36 116.17 1g3i n ILE 303 Ca 0.06 -0.50 -0.38 0.00 0.56 0.00 0.00 62.75 62.49 1g3i n ILE 303 Cb 0.28 -1.21 -0.07 0.00 -0.75 0.00 0.00 39.64 37.89 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 -0.57 4.19 -0.18 1.39 2.96 0.19 -4.84 118.68 121.83 1g3i s LEU 304 Ca 0.62 0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 55.05 1g3i s LEU 304 Cb -0.57 -2.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 1g3i s LEU 304 CO 0.58 -0.05 0.06 -0.36 -1.32 0.00 0.00 176.35 175.25 1g3i s PHE 305 N 1.11 3.26 -0.17 5.38 0.40 -1.26 -1.05 117.98 125.65 1g3i s PHE 305 Ca 0.21 0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.64 1g3i s PHE 305 Cb -0.15 -2.06 0.03 0.00 0.51 0.00 0.00 43.02 41.35 1g3i s PHE 305 CO 0.08 0.19 -0.14 0.42 0.70 0.00 0.00 175.22 176.47 1g3i s ILE 306 N 0.26 1.70 -0.04 0.64 1.01 0.34 -1.43 121.20 123.67 1g3i s ILE 306 Ca 0.04 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.89 1g3i s ILE 306 Cb -0.12 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 1g3i s ILE 306 CO 0.00 0.38 -0.07 0.00 0.00 0.00 0.00 174.94 175.26 1g3i s ALA 307 N 1.42 3.00 0.19 9.38 0.00 0.40 -0.12 121.76 136.03 1g3i s ALA 307 Ca 0.03 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.13 1g3i s ALA 307 Cb -0.14 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.73 1g3i s ALA 307 CO -0.10 0.59 -0.14 -1.54 0.00 0.00 0.00 175.76 174.56 1g3i s SER 308 N -1.01 2.46 -0.29 0.00 1.04 -0.64 -0.51 113.70 114.76 1g3i s SER 308 Ca 0.14 -0.99 -0.30 0.00 0.48 0.00 0.00 55.95 55.28 1g3i s SER 308 Cb -0.11 -0.12 0.19 0.00 0.10 0.00 0.00 66.02 66.08 1g3i s SER 308 CO 0.03 -0.17 1.37 -0.83 0.98 0.00 0.00 173.24 174.62 1g3i s GLY 309 N -3.18 0.08 0.02 7.32 0.00 -0.80 -1.51 107.32 109.25 1g3i s GLY 309 Ca 0.20 2.79 -0.18 0.00 0.00 0.00 0.00 44.72 47.54 1g3i s GLY 309 CO 0.06 1.08 1.05 0.00 0.00 0.00 0.00 173.10 175.29 1g3i h ALA 310 N 2.04 -0.01 -5.76 3.20 0.00 -1.87 -1.71 119.26 115.16 1g3i h ALA 310 Ca -0.07 -0.70 -0.34 0.00 0.00 0.00 0.00 54.91 53.80 1g3i h ALA 310 Cb 1.18 0.09 0.14 0.00 0.00 0.00 0.00 17.79 19.20 1g3i h ALA 310 CO 0.22 0.52 -0.84 1.19 0.00 0.00 0.00 179.25 180.33 1g3i n PHE 311 N -4.00 -2.18 0.00 0.00 3.72 -1.26 -4.43 117.46 109.31 1g3i n PHE 311 Ca -0.13 0.82 -0.06 0.00 -0.05 0.00 0.00 57.45 58.03 1g3i n PHE 311 Cb 0.86 -4.36 -0.12 0.00 -0.94 0.00 0.00 39.48 34.91 1g3i n PHE 311 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1g3i h GLN 312 N -1.60 0.00 0.00 -1.08 3.07 -1.95 -3.41 115.11 110.14 1g3i h GLN 312 Ca -0.61 0.00 -0.39 0.00 0.09 0.00 0.00 58.65 57.74 1g3i h GLN 312 Cb 1.34 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.84 1g3i h GLN 312 CO 0.49 0.46 -2.29 1.33 0.09 0.00 0.00 178.83 178.92 1g3i n VAL 313 N -3.02 1.31 -3.61 1.86 0.24 -1.26 -5.00 118.33 108.84 1g3i n VAL 313 Ca -0.14 -0.32 -0.28 0.00 -2.04 0.00 0.00 64.34 61.56 1g3i n VAL 313 Cb 0.98 -1.84 -0.03 0.00 -1.47 0.00 0.00 33.84 31.48 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 -2.44 3.78 0.34 2.33 0.00 -1.26 -5.10 121.76 119.40 1g3i s ALA 314 Ca -0.33 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1g3i s ALA 314 Cb 0.13 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 1g3i s ALA 314 CO 0.42 0.44 0.53 1.03 0.00 0.00 0.00 175.76 178.17 1g3i s ARG 315 N -3.24 3.46 0.38 0.00 0.52 -1.26 -4.54 118.95 114.26 1g3i s ARG 315 Ca 0.40 -0.40 0.13 0.00 -0.52 0.00 0.00 55.73 55.35 1g3i s ARG 315 Cb -0.11 -2.69 0.74 0.00 0.52 0.00 0.00 34.95 33.41 1g3i s ARG 315 CO 0.28 0.17 1.83 -1.35 0.02 0.00 0.00 175.30 176.25 1g3i h PRO 316 N 0.79 0.00 -1.04 3.54 0.11 -1.99 -2.07 132.00 131.34 1g3i h PRO 316 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1g3i h PRO 316 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1g3i h PRO 316 CO 0.61 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 177.64 1g3i n SER 317 N -4.06 0.83 0.00 -2.05 3.41 -1.26 -0.83 113.62 109.66 1g3i n SER 317 Ca -0.02 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.79 1g3i n SER 317 Cb 0.41 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 0.57 0.68 -4.76 4.04 9.92 -0.78 -5.02 116.55 121.19 1g3i n ASP 318 Ca 0.00 -0.85 -0.29 0.00 -0.53 0.00 0.00 54.79 53.12 1g3i n ASP 318 Cb 0.15 0.26 0.11 0.00 -0.64 0.00 0.00 41.12 41.00 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 -0.52 2.53 0.23 0.64 1.43 -0.01 -4.38 118.68 118.61 1g3i s LEU 319 Ca 0.00 0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 1g3i s LEU 319 Cb 0.00 -3.10 -0.09 0.00 0.03 0.00 0.00 46.19 43.03 1g3i s LEU 319 CO 0.00 -2.06 1.29 0.27 0.23 0.00 0.00 176.35 176.08 1g3i s ILE 320 N -3.63 3.14 0.32 -0.59 -4.36 -1.26 -4.72 121.20 110.09 1g3i s ILE 320 Ca 0.64 0.99 0.09 0.00 -0.26 0.00 0.00 60.65 62.12 1g3i s ILE 320 Cb -0.10 -3.63 0.31 0.00 1.25 0.00 0.00 42.46 40.29 1g3i s ILE 320 CO 0.50 0.17 1.70 -0.65 0.24 0.00 0.00 174.94 176.90 1g3i h PRO 321 N 4.83 0.44 -0.68 0.37 0.11 -1.96 0.65 132.00 135.76 1g3i h PRO 321 Ca -0.46 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.76 1g3i h PRO 321 Cb 1.22 -0.10 -0.09 0.00 0.11 0.00 0.00 31.00 32.13 1g3i h PRO 321 CO 0.74 0.29 0.20 0.93 -0.21 0.00 0.00 178.00 179.95 1g3i h GLU 322 N 0.45 0.33 0.16 1.05 3.07 -2.01 -1.95 114.58 115.68 1g3i h GLU 322 Ca 0.65 -0.02 -0.32 0.00 -0.50 0.00 0.00 59.36 59.16 1g3i h GLU 322 Cb 1.30 -0.07 0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1g3i h GLU 322 CO -0.53 0.22 -1.58 1.25 -1.40 0.00 0.00 179.01 176.96 1g3i h LEU 323 N 0.33 0.54 -1.91 1.33 5.85 -0.82 -3.26 115.31 117.38 1g3i h LEU 323 Ca 0.37 -0.72 0.11 0.00 0.84 0.00 0.00 57.88 58.48 1g3i h LEU 323 Cb 0.57 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1g3i h LEU 323 CO -0.42 1.60 0.48 -0.61 -0.34 0.00 0.00 178.44 179.14 1g3i h GLN 324 N 0.09 0.00 0.00 1.25 4.15 0.71 0.20 115.11 121.52 1g3i h GLN 324 Ca -0.27 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.15 1g3i h GLN 324 Cb 2.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.76 1g3i h GLN 324 CO 0.19 0.00 -1.41 0.41 -1.93 0.00 0.00 178.83 176.09 1g3i n GLY 325 N -1.46 -0.98 0.76 2.39 0.00 -0.79 -3.97 105.19 101.14 1g3i n GLY 325 Ca 0.07 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.81 1.99 -3.36 1.61 5.12 0.01 -4.08 116.66 116.14 1g3i n ARG 326 Ca 0.01 -1.50 -0.26 0.00 -1.93 0.00 0.00 57.85 54.16 1g3i n ARG 326 Cb 0.43 -1.41 -0.08 0.00 -1.16 0.00 0.00 32.46 30.24 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 0.72 3.17 0.33 0.55 4.77 -0.93 -4.43 117.00 121.18 1g3i n LEU 327 Ca 0.17 -5.33 -0.17 0.00 -0.03 0.00 0.00 56.01 50.65 1g3i n LEU 327 Cb 0.41 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 1g3i n LEU 327 CO 0.13 2.08 0.67 -0.65 -1.33 0.00 0.00 177.39 178.28 1g3i h PRO 328 N 4.08 -0.78 -6.62 3.23 0.11 -1.69 -3.42 132.00 126.89 1g3i h PRO 328 Ca 0.17 0.05 -0.56 0.00 0.11 0.00 0.00 66.00 65.77 1g3i h PRO 328 Cb 0.69 0.18 -0.07 0.00 0.11 0.00 0.00 31.00 31.91 1g3i h PRO 328 CO 0.77 -0.52 0.91 0.42 -0.21 0.00 0.00 178.00 179.37 1g3i s ILE 329 N -6.06 4.27 -0.12 4.15 1.01 -1.10 -5.01 121.20 118.34 1g3i s ILE 329 Ca -0.17 1.34 -0.04 0.00 0.00 0.00 0.00 60.65 61.78 1g3i s ILE 329 Cb 0.04 -4.56 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 1g3i s ILE 329 CO 0.62 -0.89 0.04 -0.13 0.00 0.00 0.00 174.94 174.59 1g3i s ARG 330 N 4.28 3.31 -0.04 2.79 1.81 -1.26 -0.68 118.95 129.17 1g3i s ARG 330 Ca 0.47 -0.34 -0.03 0.00 -1.72 0.00 0.00 55.73 54.12 1g3i s ARG 330 Cb -0.08 -2.97 0.02 0.00 -0.45 0.00 0.00 34.95 31.46 1g3i s ARG 330 CO 0.28 0.62 0.09 0.54 -0.68 0.00 0.00 175.30 176.15 1g3i s VAL 331 N -0.62 -0.01 -0.12 3.52 0.11 -0.45 -4.95 120.40 117.87 1g3i s VAL 331 Ca 0.11 0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 59.16 1g3i s VAL 331 Cb -0.12 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.55 1g3i s VAL 331 CO 0.02 0.02 0.05 -0.70 -3.33 0.00 0.00 175.10 171.17 1g3i s GLU 332 N 0.32 3.36 0.07 1.54 2.12 -1.26 -1.73 118.70 123.11 1g3i s GLU 332 Ca -0.02 -0.31 0.05 0.00 0.36 0.00 0.00 54.97 55.04 1g3i s GLU 332 Cb -0.03 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.31 1g3i s GLU 332 CO -0.01 0.62 -0.04 -0.51 -0.54 0.00 0.00 175.26 174.77 1g3i s LEU 333 N -0.62 3.28 0.19 2.70 1.02 0.27 -4.56 118.68 120.96 1g3i s LEU 333 Ca 0.11 -0.23 -0.00 0.00 0.02 0.00 0.00 54.13 54.03 1g3i s LEU 333 Cb -0.12 -2.00 -0.04 0.00 0.02 0.00 0.00 46.19 44.05 1g3i s LEU 333 CO 0.02 0.20 0.37 0.42 0.02 0.00 0.00 176.35 177.39 1g3i s THR 334 N -1.21 5.22 0.57 5.49 -4.23 -1.26 -4.37 115.64 115.85 1g3i s THR 334 Ca 0.22 -0.41 -0.20 0.00 -1.18 0.00 0.00 61.69 60.13 1g3i s THR 334 Cb -0.11 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.96 1g3i s THR 334 CO 0.14 -0.16 1.29 0.00 -0.54 0.00 0.00 174.62 175.36 1g3i s ALA 335 N -1.85 2.66 -0.09 3.99 0.00 -1.26 -4.82 121.76 120.39 1g3i s ALA 335 Ca 0.38 1.19 -0.22 0.00 0.00 0.00 0.00 51.96 53.31 1g3i s ALA 335 Cb -0.11 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1g3i s ALA 335 CO 0.29 -1.31 0.63 -0.51 0.00 0.00 0.00 175.76 174.85 1g3i s LEU 336 N -3.82 4.29 0.40 0.00 1.02 -1.26 -5.06 118.68 114.26 1g3i s LEU 336 Ca 0.75 1.04 0.03 0.00 0.02 0.00 0.00 54.13 55.98 1g3i s LEU 336 Cb -0.36 -2.95 -0.00 0.00 0.02 0.00 0.00 46.19 42.90 1g3i s LEU 336 CO 0.41 -0.09 0.58 -0.55 0.02 0.00 0.00 176.35 176.72 1g3i s SER 337 N 0.77 5.87 0.12 2.29 0.15 -1.26 -4.90 113.70 116.74 1g3i s SER 337 Ca 0.33 0.05 -0.31 0.00 0.70 0.00 0.00 55.95 56.72 1g3i s SER 337 Cb -0.17 -1.36 -0.11 0.00 -1.71 0.00 0.00 66.02 62.67 1g3i s SER 337 CO 0.15 -0.60 1.52 0.00 1.20 0.00 0.00 173.24 175.51 1g3i h ALA 338 N 0.61 -0.81 -0.97 5.45 0.00 -1.97 0.88 119.26 122.46 1g3i h ALA 338 Ca -0.46 -0.03 0.24 0.00 0.00 0.00 0.00 54.91 54.67 1g3i h ALA 338 Cb 1.26 1.05 -0.07 0.00 0.00 0.00 0.00 17.79 20.03 1g3i h ALA 338 CO 0.55 -1.03 0.65 0.00 0.00 0.00 0.00 179.25 179.42 1g3i h ALA 339 N -0.23 2.37 -0.01 0.00 0.00 -1.95 0.12 119.26 119.54 1g3i h ALA 339 Ca 0.05 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1g3i h ALA 339 Cb 0.60 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1g3i h ALA 339 CO -0.49 -0.69 -0.02 -0.44 0.00 0.00 0.00 179.25 177.61 1g3i h ASP 340 N 0.32 0.04 -0.75 0.00 3.32 -0.25 -3.13 116.42 115.97 1g3i h ASP 340 Ca 0.51 -0.52 0.13 0.00 0.02 0.00 0.00 57.03 57.17 1g3i h ASP 340 Cb 1.43 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 40.88 1g3i h ASP 340 CO -0.18 0.55 0.32 -0.26 -1.72 0.00 0.00 179.24 177.95 1g3i h PHE 341 N -0.47 0.55 -1.19 4.55 0.04 0.30 0.17 116.94 120.89 1g3i h PHE 341 Ca 0.00 0.03 0.34 0.00 2.80 0.00 0.00 57.97 61.15 1g3i h PHE 341 Cb 0.54 -0.13 -0.09 0.00 2.20 0.00 0.00 35.95 38.47 1g3i h PHE 341 CO 0.11 0.11 0.80 0.93 -0.60 0.00 0.00 178.31 179.65 1g3i h GLU 342 N 0.49 0.19 0.10 1.51 5.08 -1.16 0.63 114.58 121.41 1g3i h GLU 342 Ca 0.40 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.46 1g3i h GLU 342 Cb 0.57 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1g3i h GLU 342 CO -0.37 0.12 -1.53 0.00 -1.00 0.00 0.00 179.01 176.23 1g3i h ARG 343 N 0.19 0.22 0.00 2.33 3.08 -0.73 -3.27 114.38 116.19 1g3i h ARG 343 Ca 0.66 -0.37 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 1g3i h ARG 343 Cb 2.08 0.14 -0.00 0.00 0.08 0.00 0.00 29.97 32.27 1g3i h ARG 343 CO -0.23 1.18 -0.00 0.82 -1.07 0.00 0.00 179.97 180.67 1g3i h ILE 344 N -0.31 0.01 0.00 2.04 1.08 -0.78 0.31 117.51 119.87 1g3i h ILE 344 Ca -0.34 -0.14 -0.06 0.00 -0.39 0.00 0.00 64.86 63.93 1g3i h ILE 344 Cb 1.76 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 36.64 1g3i h ILE 344 CO 0.03 0.00 -0.29 0.25 -0.69 0.00 0.00 178.15 177.45 1g3i h LEU 345 N 0.00 0.00 0.00 1.44 5.85 -0.95 -3.40 115.31 118.26 1g3i h LEU 345 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1g3i h LEU 345 Cb 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1g3i h LEU 345 CO 0.00 0.29 -0.06 0.35 -0.34 0.00 0.00 178.44 178.68 1g3i n THR 346 N -3.31 0.00 0.18 1.05 -2.24 -0.36 -3.39 114.28 106.20 1g3i n THR 346 Ca 0.01 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.72 1g3i n THR 346 Cb 0.53 -0.05 -0.04 0.00 -2.10 0.00 0.00 70.33 68.68 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 -0.47 -5.10 -0.78 5.08 -0.69 -3.44 114.58 109.19 1g3i h GLU 347 Ca 0.00 0.03 -0.68 0.00 -1.00 0.00 0.00 59.36 57.72 1g3i h GLU 347 Cb 0.05 0.11 0.04 0.00 0.50 0.00 0.00 28.75 29.45 1g3i h GLU 347 CO 0.00 -0.31 0.09 -2.30 -1.00 0.00 0.00 179.01 175.49 1g3i n PRO 348 N -4.06 0.00 -1.68 2.33 -0.02 -1.26 -4.76 135.00 125.55 1g3i n PRO 348 Ca -0.06 0.00 -0.55 0.00 -2.02 0.00 0.00 63.50 60.87 1g3i n PRO 348 Cb 0.19 -1.27 -0.07 0.00 -0.02 0.00 0.00 33.50 32.33 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 1.43 1.96 -2.91 6.00 8.25 -0.76 -0.61 115.22 128.57 1g3i n HIS 349 Ca 0.18 0.51 -0.11 0.00 -0.26 0.00 0.00 57.72 58.04 1g3i n HIS 349 Cb 0.06 -2.45 0.05 0.00 1.12 0.00 0.00 29.99 28.77 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 4.81 -1.18 -0.88 -1.41 0.00 -1.26 -4.94 120.51 115.66 1g3i n ALA 350 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.38 1g3i n ALA 350 Cb 0.16 -1.93 0.25 0.00 0.00 0.00 0.00 19.45 17.93 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 -3.75 0.36 0.06 0.00 1.04 0.21 -4.71 113.70 106.92 1g3i s SER 351 Ca 0.05 0.71 -0.37 0.00 0.48 0.00 0.00 55.95 56.81 1g3i s SER 351 Cb -0.02 -0.99 -0.20 0.00 0.10 0.00 0.00 66.02 64.91 1g3i s SER 351 CO 0.45 -4.48 1.58 -0.07 0.98 0.00 0.00 173.24 171.70 1g3i h LEU 352 N -2.82 -1.09 -0.23 2.42 3.38 -1.77 -0.65 115.31 114.54 1g3i h LEU 352 Ca -0.45 0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.61 1g3i h LEU 352 Cb 1.31 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 1g3i h LEU 352 CO 0.33 -0.77 -0.05 0.71 0.09 0.00 0.00 178.44 178.75 1g3i h THR 353 N -1.26 0.78 -1.07 0.22 1.35 -1.92 0.44 112.91 111.43 1g3i h THR 353 Ca -0.13 -0.00 0.29 0.00 -0.55 0.00 0.00 66.41 66.02 1g3i h THR 353 Cb 0.97 0.77 -0.09 0.00 -1.73 0.00 0.00 68.15 68.07 1g3i h THR 353 CO 0.20 0.00 0.71 -0.33 -0.25 0.00 0.00 175.52 175.85 1g3i h GLU 354 N 0.01 0.29 0.18 4.72 5.08 -1.79 -0.42 114.58 122.65 1g3i h GLU 354 Ca 0.11 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1g3i h GLU 354 Cb 0.17 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1g3i h GLU 354 CO -0.23 0.19 -0.09 1.96 -1.00 0.00 0.00 179.01 179.84 1g3i h GLN 355 N 0.30 -0.23 -0.25 2.33 4.20 0.14 -2.47 115.11 119.12 1g3i h GLN 355 Ca 0.60 0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.39 1g3i h GLN 355 Cb 1.70 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 29.46 1g3i h GLN 355 CO -0.25 0.15 -0.19 1.88 -0.67 0.00 0.00 178.83 179.75 1g3i h TYR 356 N -0.92 -0.48 -0.51 2.96 -1.99 -0.26 0.20 116.97 115.97 1g3i h TYR 356 Ca -0.02 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.79 1g3i h TYR 356 Cb 0.49 0.25 -0.09 0.00 2.00 0.00 0.00 36.73 39.39 1g3i h TYR 356 CO 0.07 -0.26 -0.54 0.87 -0.00 0.00 0.00 178.16 178.30 1g3i h LYS 357 N -0.18 -0.29 -0.51 4.88 1.57 -1.20 0.71 116.57 121.55 1g3i h LYS 357 Ca 0.14 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.09 1g3i h LYS 357 Cb 0.39 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1g3i h LYS 357 CO -0.36 -0.19 0.41 0.00 -0.57 0.00 0.00 179.45 178.74 1g3i h ALA 358 N -0.00 2.37 0.04 3.86 0.00 -0.76 -1.04 119.26 123.72 1g3i h ALA 358 Ca 0.09 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1g3i h ALA 358 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1g3i h ALA 358 CO -0.63 -0.68 -0.32 -0.07 0.00 0.00 0.00 179.25 177.55 1g3i h LEU 359 N 0.00 0.13 -1.55 0.00 -0.00 0.33 -3.31 115.31 110.91 1g3i h LEU 359 Ca 0.24 -0.96 -0.05 0.00 -0.00 0.00 0.00 57.88 57.12 1g3i h LEU 359 Cb 1.07 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 41.68 1g3i h LEU 359 CO -0.00 1.15 -0.22 0.24 -0.00 0.00 0.00 178.44 179.60 1g3i h MET 360 N -0.82 0.01 -0.50 1.13 2.86 -0.47 -2.54 114.93 114.58 1g3i h MET 360 Ca -0.07 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1g3i h MET 360 Cb 1.20 -0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.77 1g3i h MET 360 CO 0.03 0.23 -0.52 0.00 1.06 0.00 0.00 176.91 177.70 1g3i h ALA 361 N 1.77 -0.63 -0.96 6.32 0.00 -1.03 -0.43 119.26 124.31 1g3i h ALA 361 Ca -0.00 0.04 0.30 0.00 0.00 0.00 0.00 54.91 55.25 1g3i h ALA 361 Cb 0.39 1.09 -0.15 0.00 0.00 0.00 0.00 17.79 19.13 1g3i h ALA 361 CO 0.03 -0.98 0.43 1.15 0.00 0.00 0.00 179.25 179.88 1g3i h THR 362 N -0.32 0.26 0.00 0.00 2.02 -1.54 2.33 112.91 115.66 1g3i h THR 362 Ca 0.11 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1g3i h THR 362 Cb 0.57 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1g3i h THR 362 CO -0.65 0.04 0.00 -0.62 0.37 0.00 0.00 175.52 174.66 1g3i n GLU 363 N -5.15 0.86 -0.31 6.66 -0.58 -0.26 -4.86 120.64 117.00 1g3i n GLU 363 Ca 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.03 1g3i n GLU 363 Cb 0.91 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 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 0.95 0.93 3.78 0.62 0.00 0.78 -4.32 105.19 107.93 1g3i n GLY 364 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.76 4.52 -0.25 1.61 1.01 -0.64 -2.52 120.40 121.38 1g3i s VAL 365 Ca 0.00 1.54 -0.08 0.00 0.00 0.00 0.00 61.98 63.43 1g3i s VAL 365 Cb 0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 1g3i s VAL 365 CO 0.00 0.52 0.10 0.21 0.00 0.00 0.00 175.10 175.93 1g3i s ASN 366 N -1.05 5.44 0.22 3.32 3.84 -0.92 -2.83 114.94 122.96 1g3i s ASN 366 Ca 0.34 -0.11 0.11 0.00 0.21 0.00 0.00 52.86 53.40 1g3i s ASN 366 Cb -0.22 -1.98 -0.04 0.00 -0.55 0.00 0.00 41.25 38.46 1g3i s ASN 366 CO 0.24 -0.00 -0.17 -0.51 -2.79 0.00 0.00 177.10 173.86 1g3i s ILE 367 N 1.45 2.72 -0.17 -5.21 2.07 -1.26 -0.90 121.20 119.90 1g3i s ILE 367 Ca 0.06 -2.00 -0.10 0.00 -1.41 0.00 0.00 60.65 57.19 1g3i s ILE 367 Cb -0.15 -2.36 0.06 0.00 0.13 0.00 0.00 42.46 40.14 1g3i s ILE 367 CO 0.05 -0.20 0.42 0.00 -1.91 0.00 0.00 174.94 173.30 1g3i s ALA 368 N -1.93 -1.08 -0.21 1.50 0.00 -0.90 -4.94 121.76 114.19 1g3i s ALA 368 Ca 0.25 1.52 -0.10 0.00 0.00 0.00 0.00 51.96 53.63 1g3i s ALA 368 Cb -0.07 -0.92 -0.05 0.00 0.00 0.00 0.00 23.12 22.08 1g3i s ALA 368 CO 0.13 -0.26 0.13 -0.06 0.00 0.00 0.00 175.76 175.70 1g3i s PHE 369 N 1.23 3.36 0.54 0.00 0.40 -1.26 -1.09 117.98 121.16 1g3i s PHE 369 Ca -0.08 0.25 -0.12 0.00 -0.60 0.00 0.00 56.93 56.38 1g3i s PHE 369 Cb -0.07 -2.17 -0.06 0.00 0.51 0.00 0.00 43.02 41.22 1g3i s PHE 369 CO -0.11 0.21 0.95 0.95 0.70 0.00 0.00 175.22 177.92 1g3i s THR 370 N 0.55 4.68 0.11 0.64 -4.23 -0.40 -4.90 115.64 112.07 1g3i s THR 370 Ca 0.07 0.90 -0.34 0.00 -1.18 0.00 0.00 61.69 61.14 1g3i s THR 370 Cb -0.12 -3.80 -0.14 0.00 1.34 0.00 0.00 72.50 69.79 1g3i s THR 370 CO -0.00 -0.87 1.54 0.74 -0.54 0.00 0.00 174.62 175.49 1g3i h THR 371 N 0.38 0.00 -0.93 3.99 2.02 -1.98 0.11 112.91 116.50 1g3i h THR 371 Ca -0.46 0.00 0.27 0.00 0.77 0.00 0.00 66.41 66.99 1g3i h THR 371 Cb 1.19 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1g3i h THR 371 CO 0.62 0.00 0.68 0.44 0.37 0.00 0.00 175.52 177.63 1g3i h ASP 372 N -0.68 0.00 -0.09 4.18 3.32 -1.95 0.33 116.42 121.53 1g3i h ASP 372 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1g3i h ASP 372 Cb 0.71 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.26 1g3i h ASP 372 CO -0.34 0.00 0.01 0.00 -1.72 0.00 0.00 179.24 177.19 1g3i h ALA 373 N 1.53 0.12 -0.12 3.45 0.00 -1.07 -0.60 119.26 122.56 1g3i h ALA 373 Ca 0.44 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1g3i h ALA 373 Cb 1.79 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 1g3i h ALA 373 CO -0.00 -0.21 0.03 0.28 0.00 0.00 0.00 179.25 179.35 1g3i h VAL 374 N -0.10 1.18 -0.98 0.00 2.07 0.48 0.20 116.25 119.10 1g3i h VAL 374 Ca 0.03 -0.56 0.22 0.00 0.82 0.00 0.00 66.70 67.21 1g3i h VAL 374 Cb 0.32 1.33 -0.09 0.00 -1.52 0.00 0.00 31.29 31.34 1g3i h VAL 374 CO 0.00 0.16 0.63 0.50 0.02 0.00 0.00 177.57 178.88 1g3i h LYS 375 N -0.00 0.50 0.13 1.57 3.64 -0.79 0.08 116.57 121.70 1g3i h LYS 375 Ca 0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1g3i h LYS 375 Cb 0.23 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1g3i h LYS 375 CO -0.00 0.33 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.23 1g3i h LYS 376 N 0.52 -0.17 -0.66 1.90 1.63 -0.50 -1.56 116.57 117.73 1g3i h LYS 376 Ca 0.54 0.01 0.13 0.00 -0.85 0.00 0.00 60.65 60.48 1g3i h LYS 376 Cb 1.19 0.04 -0.13 0.00 -0.60 0.00 0.00 32.23 32.73 1g3i h LYS 376 CO -0.28 0.26 -0.25 0.82 -3.45 0.00 0.00 179.45 176.54 1g3i h ILE 377 N -0.92 0.23 0.70 2.00 2.04 0.18 0.22 117.51 121.96 1g3i h ILE 377 Ca -0.02 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1g3i h ILE 377 Cb 0.51 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1g3i h ILE 377 CO 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 178.15 177.85 1g3i h ALA 378 N 1.38 -0.94 -0.73 1.87 0.00 -1.13 -0.63 119.26 119.08 1g3i h ALA 378 Ca 0.29 -0.22 0.21 0.00 0.00 0.00 0.00 54.91 55.20 1g3i h ALA 378 Cb 0.54 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1g3i h ALA 378 CO -0.71 -0.96 0.62 1.49 0.00 0.00 0.00 179.25 179.68 1g3i h GLU 379 N -1.07 0.00 0.16 0.00 4.57 -0.81 0.69 114.58 118.12 1g3i h GLU 379 Ca -0.10 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1g3i h GLU 379 Cb 0.75 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1g3i h GLU 379 CO 0.16 0.00 -0.08 0.00 -1.18 0.00 0.00 179.01 177.91 1g3i h ALA 380 N 1.45 -0.21 0.26 2.92 0.00 0.02 -0.12 119.26 123.58 1g3i h ALA 380 Ca 0.35 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1g3i h ALA 380 Cb 1.58 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 1g3i h ALA 380 CO -0.00 -0.32 -0.44 0.00 0.00 0.00 0.00 179.25 178.48 1g3i h ALA 381 N -0.18 -0.87 -0.34 0.00 0.00 0.61 -1.60 119.26 116.89 1g3i h ALA 381 Ca -0.02 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1g3i h ALA 381 Cb 0.53 0.70 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1g3i h ALA 381 CO 0.04 -1.05 -0.39 0.35 0.00 0.00 0.00 179.25 178.20 1g3i h PHE 382 N -0.77 -1.11 -0.26 0.00 -0.00 -1.15 -1.37 116.94 112.28 1g3i h PHE 382 Ca -0.01 0.06 0.02 0.00 -0.00 0.00 0.00 57.97 58.04 1g3i h PHE 382 Cb 0.74 0.53 -0.03 0.00 -0.00 0.00 0.00 35.95 37.19 1g3i h PHE 382 CO -0.32 -0.43 -0.16 -2.13 -0.00 0.00 0.00 178.31 175.28 1g3i n ARG 383 N -5.42 -0.12 -0.13 1.11 3.00 -0.06 -0.71 116.66 114.34 1g3i n ARG 383 Ca -0.01 0.85 -0.09 0.00 -0.00 0.00 0.00 57.85 58.60 1g3i n ARG 383 Cb 0.35 -1.26 -0.00 0.00 0.00 0.00 0.00 32.46 31.54 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 1.14 -0.86 5.15 3.04 -0.93 -0.89 116.25 122.90 1g3i h VAL 384 Ca 0.04 -0.37 0.22 0.00 -1.01 0.00 0.00 66.70 65.59 1g3i h VAL 384 Cb 0.11 0.68 -0.14 0.00 -2.01 0.00 0.00 31.29 29.93 1g3i h VAL 384 CO -0.25 0.15 0.25 0.78 -1.01 0.00 0.00 177.57 177.49 1g3i h ASN 385 N 0.50 0.04 -0.12 3.17 4.21 0.19 1.01 115.58 124.59 1g3i h ASN 385 Ca 0.14 0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.81 1g3i h ASN 385 Cb 0.05 0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 37.48 1g3i h ASN 385 CO -0.02 -0.12 -0.01 -0.08 -1.29 0.00 0.00 177.43 175.91 1g3i h GLU 386 N 0.24 0.22 0.00 0.81 4.81 -0.35 -2.95 114.58 117.36 1g3i h GLU 386 Ca 0.53 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 59.66 1g3i h GLU 386 Cb 1.05 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1g3i h GLU 386 CO -0.62 0.47 -0.14 0.87 -0.73 0.00 0.00 179.01 178.86 1g3i h LYS 387 N -0.07 0.00 0.00 1.92 1.79 0.86 -3.47 116.57 117.61 1g3i h LYS 387 Ca 0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1g3i h LYS 387 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1g3i h LYS 387 CO 0.01 0.14 0.00 0.25 -1.08 0.00 0.00 179.45 178.77 1g3i n THR 388 N -3.48 0.00 -2.19 -0.16 -2.24 0.31 -4.94 114.28 101.58 1g3i n THR 388 Ca -0.01 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.40 1g3i n THR 388 Cb 0.30 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 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 4.80 2.82 -0.37 -0.78 2.56 -1.26 -4.85 118.70 121.61 1g3i s GLU 389 Ca 0.00 0.08 -0.27 0.00 0.00 0.00 0.00 54.97 54.78 1g3i s GLU 389 Cb 0.00 -4.58 -0.05 0.00 2.00 0.00 0.00 34.13 31.50 1g3i s GLU 389 CO 0.00 -2.70 2.16 1.21 -0.56 0.00 0.00 175.26 175.36 1g3i s ASN 390 N 6.90 5.19 -0.42 -1.70 3.84 -1.12 -4.78 114.94 122.85 1g3i s ASN 390 Ca 0.59 1.33 0.05 0.00 0.21 0.00 0.00 52.86 55.04 1g3i s ASN 390 Cb -0.09 -2.51 0.58 0.00 -0.55 0.00 0.00 41.25 38.67 1g3i s ASN 390 CO 0.12 -2.26 1.74 2.30 -2.79 0.00 0.00 177.10 176.22 1g3i n ILE 391 N 7.71 3.01 -4.70 -5.21 -5.35 -1.26 -4.80 119.36 108.75 1g3i n ILE 391 Ca 0.30 -2.45 0.00 0.00 -0.27 0.00 0.00 62.75 60.32 1g3i n ILE 391 Cb 0.49 -0.53 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 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 -1.09 2.79 0.10 3.28 0.00 -1.23 -2.55 105.19 106.49 1g3i n GLY 392 Ca 0.50 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1g3i n GLY 392 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g3i n ALA 393 N 8.51 2.03 -0.33 4.61 0.00 -0.78 -2.58 120.51 131.97 1g3i n ALA 393 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.52 1g3i n ALA 393 Cb 0.00 -1.43 0.23 0.00 0.00 0.00 0.00 19.45 18.26 1g3i n ALA 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g3i h ARG 394 N 0.00 0.78 -0.95 0.00 2.47 -1.75 0.14 114.38 115.06 1g3i h ARG 394 Ca 0.00 -0.05 0.28 0.00 -1.26 0.00 0.00 59.98 58.95 1g3i h ARG 394 Cb 0.55 -0.18 -0.04 0.00 -1.65 0.00 0.00 29.97 28.66 1g3i h ARG 394 CO 0.00 0.52 1.02 -0.09 0.56 0.00 0.00 179.97 181.97 1g3i h ARG 395 N 0.80 0.00 -0.10 0.04 9.65 -1.62 0.79 114.38 123.94 1g3i h ARG 395 Ca 0.48 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.29 1g3i h ARG 395 Cb 0.58 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 1g3i h ARG 395 CO -0.31 0.00 -0.23 -0.07 2.80 0.00 0.00 179.97 182.16 1g3i h LEU 396 N 0.00 0.37 -1.64 3.80 3.38 -0.95 -1.50 115.31 118.76 1g3i h LEU 396 Ca 0.45 -0.58 0.12 0.00 0.09 0.00 0.00 57.88 57.96 1g3i h LEU 396 Cb 2.48 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 43.09 1g3i h LEU 396 CO -0.00 0.88 0.44 0.45 0.09 0.00 0.00 178.44 180.29 1g3i h HIS 397 N -0.13 0.43 0.21 1.13 3.86 0.49 0.75 115.15 121.88 1g3i h HIS 397 Ca -0.00 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 1g3i h HIS 397 Cb 0.83 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1g3i h HIS 397 CO 0.11 0.19 -0.10 1.15 0.86 0.00 0.00 177.93 180.14 1g3i h THR 398 N 0.39 0.00 -0.86 2.45 2.02 -1.21 -2.68 112.91 113.02 1g3i h THR 398 Ca 0.31 -0.07 0.09 0.00 0.77 0.00 0.00 66.41 67.51 1g3i h THR 398 Cb 0.67 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.01 1g3i h THR 398 CO -0.09 0.00 0.50 0.58 0.37 0.00 0.00 175.52 176.89 1g3i h VAL 399 N -0.35 0.93 -0.15 3.16 2.07 -1.04 -0.17 116.25 120.70 1g3i h VAL 399 Ca -0.03 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.25 1g3i h VAL 399 Cb 0.21 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 1g3i h VAL 399 CO 0.05 0.15 -0.19 0.24 0.02 0.00 0.00 177.57 177.84 1g3i h MET 400 N 0.85 -0.23 -0.75 1.57 2.86 -0.93 0.16 114.93 118.47 1g3i h MET 400 Ca 0.41 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 58.07 1g3i h MET 400 Cb 0.35 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 1g3i h MET 400 CO -0.24 -0.15 0.50 1.49 1.06 0.00 0.00 176.91 179.57 1g3i h GLU 401 N -0.23 0.99 0.00 1.72 4.57 -0.86 0.36 114.58 121.12 1g3i h GLU 401 Ca 0.11 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 1g3i h GLU 401 Cb 0.39 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1g3i h GLU 401 CO -0.29 0.65 -0.11 -0.09 -1.18 0.00 0.00 179.01 177.99 1g3i h ARG 402 N 1.02 0.00 0.00 1.92 2.43 0.15 -2.64 114.38 117.25 1g3i h ARG 402 Ca 0.28 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 59.32 1g3i h ARG 402 Cb -0.11 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 1g3i h ARG 402 CO -0.06 0.11 -0.86 1.25 -1.51 0.00 0.00 179.97 178.90 1g3i h LEU 403 N 0.00 0.00 -0.15 3.80 6.46 0.11 -3.35 115.31 122.18 1g3i h LEU 403 Ca -0.00 -0.36 0.00 0.00 -0.12 0.00 0.00 57.88 57.40 1g3i h LEU 403 Cb 0.26 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 1g3i h LEU 403 CO 0.01 1.17 0.00 0.23 -0.62 0.00 0.00 178.44 179.23 1g3i n MET 404 N -4.52 0.40 0.00 1.25 2.81 0.10 -4.26 117.12 112.89 1g3i n MET 404 Ca -0.21 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.68 1g3i n MET 404 Cb 0.50 -1.03 0.00 0.00 -0.71 0.00 0.00 33.22 31.98 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 -0.38 0.00 0.00 7.83 -0.08 -1.00 -1.26 116.55 121.66 1g3i n ASP 405 Ca 0.00 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1g3i n ASP 405 Cb 0.02 -0.02 0.00 0.00 2.34 0.00 0.00 41.12 43.45 1g3i n ASP 405 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1g3i n LYS 406 N -0.94 0.00 -0.32 -0.67 4.01 -1.26 -1.83 118.16 117.14 1g3i n LYS 406 Ca 0.00 0.84 0.18 0.00 -0.51 0.00 0.00 58.31 58.82 1g3i n LYS 406 Cb 0.00 -1.49 0.36 0.00 -0.51 0.00 0.00 35.03 33.38 1g3i n LYS 406 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 1g3i h ILE 407 N 0.00 0.10 -0.78 -0.18 2.04 -1.86 0.55 117.51 117.38 1g3i h ILE 407 Ca 0.00 -0.02 0.15 0.00 1.00 0.00 0.00 64.86 65.98 1g3i h ILE 407 Cb 0.00 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.05 1g3i h ILE 407 CO 0.00 0.01 0.52 -1.28 0.00 0.00 0.00 178.15 177.40 1g3i h SER 408 N 0.07 0.45 0.07 1.72 0.87 -0.40 1.62 113.55 117.95 1g3i h SER 408 Ca 0.64 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 61.23 1g3i h SER 408 Cb 1.43 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1g3i h SER 408 CO -0.81 0.23 -0.03 0.15 -0.53 0.00 0.00 176.83 175.84 1g3i h PHE 409 N 0.48 -0.08 0.00 2.24 3.57 0.25 -3.37 116.94 120.02 1g3i h PHE 409 Ca 0.39 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 1g3i h PHE 409 Cb 0.82 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 1g3i h PHE 409 CO -0.00 -0.05 -0.11 0.77 -2.23 0.00 0.00 178.31 176.68 1g3i h SER 410 N -0.30 0.00 -0.79 0.41 0.02 -1.39 -3.15 113.55 108.35 1g3i h SER 410 Ca -0.01 0.00 0.23 0.00 -0.84 0.00 0.00 61.79 61.17 1g3i h SER 410 Cb 0.07 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.58 1g3i h SER 410 CO 0.02 0.11 0.91 0.00 -1.14 0.00 0.00 176.83 176.73 1g3i h ALA 411 N 1.89 2.63 0.46 3.77 0.00 0.22 -0.82 119.26 127.41 1g3i h ALA 411 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1g3i h ALA 411 Cb 0.37 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1g3i h ALA 411 CO 0.01 -1.32 -0.22 1.03 0.00 0.00 0.00 179.25 178.75 1g3i h SER 412 N 0.00 -0.53 -0.54 0.00 0.87 -1.78 -2.97 113.55 108.61 1g3i h SER 412 Ca 0.37 -0.06 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1g3i h SER 412 Cb 2.20 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 64.28 1g3i h SER 412 CO -0.00 -0.25 0.03 -0.90 -0.53 0.00 0.00 176.83 175.18 1g3i n ASP 413 N -5.29 5.16 -1.14 6.23 3.85 -0.49 -4.06 116.55 120.81 1g3i n ASP 413 Ca -0.11 -2.87 0.05 0.00 -0.71 0.00 0.00 54.79 51.15 1g3i n ASP 413 Cb 0.29 -0.68 0.27 0.00 -1.35 0.00 0.00 41.12 39.66 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 0.47 3.06 -0.92 0.11 1.56 -0.43 -5.05 117.12 115.92 1g3i n MET 414 Ca 0.27 -2.95 -0.33 0.00 -0.27 0.00 0.00 57.70 54.42 1g3i n MET 414 Cb 1.13 -1.92 0.04 0.00 2.15 0.00 0.00 33.22 34.61 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 -0.45 -5.49 0.00 6.12 2.85 -1.25 -3.23 115.26 113.81 1g3i n ASN 415 Ca 0.26 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.90 1g3i n ASN 415 Cb 1.00 -0.69 0.00 0.00 1.24 0.00 0.00 39.78 41.32 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 3.18 0.48 3.07 8.20 0.00 -1.05 -4.90 105.19 114.17 1g3i n GLY 416 Ca -0.02 -0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.38 -3.79 1.61 6.02 -1.20 -4.53 117.38 115.11 1g3i n GLN 417 Ca 0.00 -0.11 -0.19 0.00 -0.01 0.00 0.00 57.00 56.69 1g3i n GLN 417 Cb 0.00 -1.17 -0.17 0.00 1.02 0.00 0.00 30.24 29.92 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 -2.06 0.10 -0.08 5.09 -4.23 -1.26 -2.17 115.64 111.03 1g3i s THR 418 Ca 0.41 0.22 -0.14 0.00 -1.18 0.00 0.00 61.69 61.01 1g3i s THR 418 Cb 0.04 -0.27 -0.05 0.00 1.34 0.00 0.00 72.50 73.56 1g3i s THR 418 CO 0.67 0.18 0.34 -0.69 -0.54 0.00 0.00 174.62 174.58 1g3i s VAL 419 N 1.64 5.21 -0.60 2.29 1.01 -0.08 -4.98 120.40 124.89 1g3i s VAL 419 Ca -0.01 0.67 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 1g3i s VAL 419 Cb -0.13 -3.65 0.16 0.00 0.00 0.00 0.00 36.38 32.75 1g3i s VAL 419 CO -0.03 0.49 0.41 0.21 0.00 0.00 0.00 175.10 176.18 1g3i s ASN 420 N -0.36 5.20 -0.54 3.32 3.04 -1.26 -2.12 114.94 122.22 1g3i s ASN 420 Ca 0.20 -2.78 -0.28 0.00 0.04 0.00 0.00 52.86 50.04 1g3i s ASN 420 Cb -0.15 -1.84 0.01 0.00 -1.54 0.00 0.00 41.25 37.73 1g3i s ASN 420 CO 0.09 -0.38 1.51 -0.63 -3.04 0.00 0.00 177.10 174.65 1g3i s ILE 421 N 0.04 3.70 0.54 -5.21 1.01 -0.25 -4.87 121.20 116.15 1g3i s ILE 421 Ca 0.16 0.59 0.02 0.00 0.00 0.00 0.00 60.65 61.42 1g3i s ILE 421 Cb -0.21 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 37.99 1g3i s ILE 421 CO -0.03 -1.06 0.15 1.51 0.00 0.00 0.00 174.94 175.51 1g3i s ASP 422 N 5.08 4.32 0.34 3.58 3.84 -1.26 -1.28 116.67 131.29 1g3i s ASP 422 Ca 0.57 -1.56 0.09 0.00 -0.00 0.00 0.00 52.55 51.65 1g3i s ASP 422 Cb -0.12 0.62 0.82 0.00 -1.38 0.00 0.00 42.92 42.86 1g3i s ASP 422 CO 0.25 -1.00 1.83 0.00 -0.00 0.00 0.00 175.17 176.25 1g3i h ALA 423 N 1.08 1.82 0.56 2.11 0.00 -1.88 -0.61 119.26 122.35 1g3i h ALA 423 Ca -0.41 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1g3i h ALA 423 Cb 1.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1g3i h ALA 423 CO 0.67 -0.13 -0.40 0.00 0.00 0.00 0.00 179.25 179.40 1g3i h ALA 424 N 1.61 -1.16 -0.18 0.00 0.00 -1.95 -0.50 119.26 117.09 1g3i h ALA 424 Ca 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1g3i h ALA 424 Cb 0.87 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1g3i h ALA 424 CO -0.27 -1.14 0.00 0.98 0.00 0.00 0.00 179.25 178.82 1g3i n TYR 425 N -4.86 0.00 -0.10 0.00 -0.00 -0.31 -1.51 117.16 110.38 1g3i n TYR 425 Ca -0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.70 1g3i n TYR 425 Cb 0.39 -0.47 -0.03 0.00 -0.00 0.00 0.00 39.34 39.23 1g3i n TYR 425 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 1g3i h VAL 426 N 0.00 0.18 -1.17 2.97 2.07 -1.39 0.15 116.25 119.06 1g3i h VAL 426 Ca 0.00 0.00 0.33 0.00 0.82 0.00 0.00 66.70 67.85 1g3i h VAL 426 Cb 0.00 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 29.86 1g3i h VAL 426 CO 0.00 0.00 0.79 0.00 0.02 0.00 0.00 177.57 178.38 1g3i h ALA 427 N 0.53 2.66 -0.36 1.67 0.00 -0.37 -1.84 119.26 121.56 1g3i h ALA 427 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1g3i h ALA 427 Cb 0.57 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1g3i h ALA 427 CO -0.52 -1.10 0.00 -3.47 0.00 0.00 0.00 179.25 174.16 1g3i n ASP 428 N -4.47 0.00 0.14 0.00 -0.08 0.30 -3.39 116.55 109.05 1g3i n ASP 428 Ca 0.28 0.49 0.08 0.00 -1.51 0.00 0.00 54.79 54.14 1g3i n ASP 428 Cb 1.14 -0.44 0.12 0.00 2.34 0.00 0.00 41.12 44.28 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 -1.82 0.28 -0.09 -1.67 0.00 0.07 -1.02 120.51 116.27 1g3i n ALA 429 Ca 0.00 0.10 -0.23 0.00 0.00 0.00 0.00 53.44 53.31 1g3i n ALA 429 Cb 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 19.45 19.16 1g3i n ALA 429 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1g3i n LEU 430 N -2.53 2.32 0.00 0.00 4.77 -0.74 -4.68 117.00 116.15 1g3i n LEU 430 Ca 0.07 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1g3i n LEU 430 Cb 1.05 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1g3i n LEU 430 CO 0.07 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.38 1g3i n GLY 431 N 1.71 -1.77 3.98 -0.72 0.00 -0.19 -4.98 105.19 103.22 1g3i n GLY 431 Ca -0.40 -1.75 -0.20 0.00 0.00 0.00 0.00 46.02 43.67 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 2.97 -0.05 1.61 2.02 -1.26 -4.96 118.70 119.02 1g3i s GLU 432 Ca 0.00 -0.88 -0.02 0.00 0.02 0.00 0.00 54.97 54.09 1g3i s GLU 432 Cb 0.00 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.50 1g3i s GLU 432 CO 0.00 -0.20 0.08 0.08 0.02 0.00 0.00 175.26 175.24 1g3i s VAL 433 N -2.39 4.84 0.11 2.63 1.01 -1.26 -5.12 120.40 120.21 1g3i s VAL 433 Ca 0.49 -0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.27 1g3i s VAL 433 Cb -0.10 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 1g3i s VAL 433 CO 0.34 0.46 0.20 -0.69 0.00 0.00 0.00 175.10 175.42 1g3i s VAL 434 N -1.10 5.08 0.00 2.92 1.01 -1.26 -5.03 120.40 122.03 1g3i s VAL 434 Ca 0.19 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1g3i s VAL 434 Cb -0.12 -3.54 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1g3i s VAL 434 CO 0.09 0.03 0.00 -1.84 0.00 0.00 0.00 175.10 173.38 1g3i n GLU 435 N -0.04 0.00 0.00 2.72 0.28 -1.26 -4.94 120.64 117.40 1g3i n GLU 435 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 1g3i n GLU 435 Cb 0.53 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.40 1g3i n GLU 435 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1g3i n ASN 436 N -1.70 0.00 -0.25 -1.84 3.02 -1.26 -3.93 115.26 109.30 1g3i n ASN 436 Ca 0.00 -0.39 0.04 0.00 -0.03 0.00 0.00 54.58 54.20 1g3i n ASN 436 Cb 0.00 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.34 1g3i n ASN 436 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1g3i h GLU 437 N 2.66 0.42 0.00 3.52 4.81 -1.99 -3.39 114.58 120.60 1g3i h GLU 437 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1g3i h GLU 437 Cb 0.00 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1g3i h GLU 437 CO 0.00 0.28 0.00 -0.25 -0.73 0.00 0.00 179.01 178.31 1g3i n ASP 438 N -5.01 0.00 0.00 1.04 8.00 -1.25 -4.83 116.55 114.50 1g3i n ASP 438 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.63 1g3i n ASP 438 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 -4.53 117.00 116.62 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 -0.14 0.00 -1.54 -1.33 0.00 0.00 177.39 174.38 1g3i n SER 440 N -3.56 0.00 0.00 -1.43 3.41 -1.26 -2.53 113.62 108.25 1g3i n SER 440 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1g3i n SER 440 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1g3i n SER 440 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1g3i n ARG 441 N 4.31 0.00 -1.67 4.33 5.12 -1.26 0.35 116.66 127.84 1g3i n ARG 441 Ca 0.00 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.70 1g3i n ARG 441 Cb 0.00 0.00 0.06 0.00 -1.16 0.00 0.00 32.46 31.36 1g3i n ARG 441 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1g3i n PHE 442 N -2.40 2.52 -3.73 -1.55 3.72 -1.05 -4.98 117.46 109.99 1g3i n PHE 442 Ca 0.00 -2.28 -0.12 0.00 -0.05 0.00 0.00 57.45 55.00 1g3i n PHE 442 Cb 0.00 -0.58 -0.13 0.00 -0.94 0.00 0.00 39.48 37.83 1g3i n PHE 442 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1g3i s ILE 443 N -4.42 -0.04 0.00 4.37 1.01 1.09 -4.90 121.20 118.31 1g3i s ILE 443 Ca 0.52 0.15 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1g3i s ILE 443 Cb 0.43 -0.39 0.00 0.00 0.01 0.00 0.00 42.46 42.50 1g3i s ILE 443 CO 0.02 0.06 0.23 -0.11 0.00 0.00 0.00 174.94 175.14