#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 1.19 0.00 1.43 2.56 -1.26 -5.18 118.70 117.44 1g3i s GLU 3 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.97 53.87 1g3i s GLU 3 Cb 0.00 0.40 0.00 0.00 2.00 0.00 0.00 34.13 36.53 1g3i s GLU 3 CO 0.00 -0.45 0.00 -1.33 -0.56 0.00 0.00 175.26 172.92 1g3i n MET 4 N -0.23 0.52 -4.18 4.30 2.81 -1.26 -5.11 117.12 113.97 1g3i n MET 4 Ca -0.08 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.62 1g3i n MET 4 Cb 0.63 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 33.02 1g3i n MET 4 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 1g3i s THR 5 N -0.30 1.13 0.09 2.03 -1.32 -1.26 -4.98 115.64 111.03 1g3i s THR 5 Ca 0.00 -1.32 -0.29 0.00 -1.21 0.00 0.00 61.69 58.87 1g3i s THR 5 Cb 0.00 -1.10 -0.15 0.00 -1.51 0.00 0.00 72.50 69.75 1g3i s THR 5 CO 0.00 -0.23 1.65 1.55 -2.21 0.00 0.00 174.62 175.39 1g3i h PRO 6 N 4.27 -0.55 -1.61 7.08 0.13 -1.98 -0.08 132.00 139.26 1g3i h PRO 6 Ca -0.41 0.04 0.47 0.00 -0.87 0.00 0.00 66.00 65.22 1g3i h PRO 6 Cb 1.19 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 1g3i h PRO 6 CO 0.40 -0.36 1.29 -0.09 -0.23 0.00 0.00 178.00 179.01 1g3i h ARG 7 N -0.57 0.00 0.01 0.86 9.65 -1.99 0.42 114.38 122.77 1g3i h ARG 7 Ca -0.03 0.00 -0.38 0.00 -1.10 0.00 0.00 59.98 58.47 1g3i h ARG 7 Cb 0.48 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.00 1g3i h ARG 7 CO 0.02 0.00 -2.38 0.39 2.80 0.00 0.00 179.97 180.79 1g3i n GLU 8 N -3.76 0.67 -0.32 0.20 1.02 -0.97 -4.23 120.64 113.25 1g3i n GLU 8 Ca 0.36 0.14 0.16 0.00 -0.02 0.00 0.00 57.16 57.80 1g3i n GLU 8 Cb 1.78 -1.55 0.40 0.00 -0.02 0.00 0.00 31.44 32.05 1g3i n GLU 8 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1g3i h ILE 9 N 0.01 0.67 0.05 -3.67 2.04 0.17 -1.11 117.51 115.67 1g3i h ILE 9 Ca -0.55 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1g3i h ILE 9 Cb 1.99 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1g3i h ILE 9 CO -0.04 0.11 -0.07 0.58 0.00 0.00 0.00 178.15 178.73 1g3i h VAL 10 N 0.61 0.00 -0.21 1.67 2.07 -1.49 -2.04 116.25 116.87 1g3i h VAL 10 Ca 0.55 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.14 1g3i h VAL 10 Cb 1.07 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1g3i h VAL 10 CO -0.32 0.00 0.53 0.28 0.02 0.00 0.00 177.57 178.08 1g3i h SER 11 N -0.13 0.00 1.19 0.57 0.02 -1.42 0.60 113.55 114.39 1g3i h SER 11 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1g3i h SER 11 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1g3i h SER 11 CO -0.02 0.00 -0.62 -0.08 -1.14 0.00 0.00 176.83 174.97 1g3i h GLU 12 N 0.00 0.00 0.00 3.45 4.81 -0.77 -3.26 114.58 118.81 1g3i h GLU 12 Ca 0.10 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1g3i h GLU 12 Cb 1.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 1g3i h GLU 12 CO -0.00 0.00 -1.33 1.28 -0.73 0.00 0.00 179.01 178.22 1g3i n LEU 13 N -2.57 0.82 -0.37 1.64 4.77 0.20 -4.10 117.00 117.40 1g3i n LEU 13 Ca 0.02 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1g3i n LEU 13 Cb 0.51 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 1g3i n LEU 13 CO 0.37 0.06 0.12 0.47 -1.33 0.00 0.00 177.39 177.07 1g3i n ASP 14 N -2.81 0.27 0.00 -1.43 10.43 -0.62 -1.91 116.55 120.48 1g3i n ASP 14 Ca -0.07 -0.73 0.00 0.00 2.57 0.00 0.00 54.79 56.55 1g3i n ASP 14 Cb 0.76 -0.14 0.00 0.00 1.84 0.00 0.00 41.12 43.59 1g3i n ASP 14 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1g3i n GLN 15 N 0.10 -0.94 0.00 -1.24 6.02 -1.26 -4.66 117.38 115.40 1g3i n GLN 15 Ca 0.00 -0.48 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 1g3i n GLN 15 Cb 0.07 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.35 1g3i n GLN 15 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1g3i n HIS 16 N -0.00 0.00 -3.10 1.08 8.25 -0.84 0.90 115.22 121.51 1g3i n HIS 16 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.26 1g3i n HIS 16 Cb 0.01 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 1g3i n HIS 16 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1g3i n ILE 17 N 0.00 -0.58 -2.40 1.59 5.41 -0.80 -5.00 119.36 117.58 1g3i n ILE 17 Ca 0.00 -3.26 -0.38 0.00 1.00 0.00 0.00 62.75 60.11 1g3i n ILE 17 Cb 0.00 -1.04 -0.03 0.00 -0.71 0.00 0.00 39.64 37.87 1g3i n ILE 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1g3i s ILE 18 N -0.54 3.40 0.00 1.39 1.10 -1.26 -4.61 121.20 120.67 1g3i s ILE 18 Ca 0.34 1.15 0.00 0.00 -0.51 0.00 0.00 60.65 61.63 1g3i s ILE 18 Cb 0.16 -3.63 0.00 0.00 0.15 0.00 0.00 42.46 39.14 1g3i s ILE 18 CO -0.15 0.09 0.00 0.61 -2.11 0.00 0.00 174.94 173.38 1g3i n GLY 19 N 0.58 0.31 7.00 1.50 0.00 -1.26 -4.96 105.19 108.36 1g3i n GLY 19 Ca 0.04 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 0.00 0.00 1.61 1.13 -1.26 -4.98 117.38 113.87 1g3i n GLN 20 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1g3i n GLN 20 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 1g3i n GLN 20 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g3i n ALA 21 N 2.56 0.00 0.13 -1.58 0.00 -1.26 -4.87 120.51 115.49 1g3i n ALA 21 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 1g3i n ALA 21 Cb 0.00 0.00 0.54 0.00 0.00 0.00 0.00 19.45 19.99 1g3i n ALA 21 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1g3i h ASP 22 N 0.00 0.00 0.00 0.00 3.32 -1.94 -1.05 116.42 116.75 1g3i h ASP 22 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1g3i h ASP 22 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1g3i h ASP 22 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1g3i n ALA 23 N -2.02 -0.05 -0.22 3.45 0.00 -1.26 -2.72 120.51 117.68 1g3i n ALA 23 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 1g3i n ALA 23 Cb 0.86 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.29 1g3i n ALA 23 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1g3i h LYS 24 N 0.00 -0.17 -0.91 0.00 1.57 -1.61 -2.00 116.57 113.45 1g3i h LYS 24 Ca 0.00 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1g3i h LYS 24 Cb 0.00 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 32.22 1g3i h LYS 24 CO 0.00 -0.11 -0.42 0.54 -0.57 0.00 0.00 179.45 178.88 1g3i n ARG 25 N -5.42 -0.29 0.19 3.15 1.74 -0.71 0.74 116.66 116.06 1g3i n ARG 25 Ca 0.03 1.38 0.04 0.00 -0.77 0.00 0.00 57.85 58.54 1g3i n ARG 25 Cb 0.36 -2.05 0.38 0.00 -1.02 0.00 0.00 32.46 30.13 1g3i n ARG 25 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1g3i h ALA 26 N 0.94 1.30 -0.36 7.54 0.00 -1.19 -1.43 119.26 126.06 1g3i h ALA 26 Ca 0.25 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1g3i h ALA 26 Cb 0.48 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1g3i h ALA 26 CO -0.88 0.46 -0.23 0.28 0.00 0.00 0.00 179.25 178.87 1g3i h VAL 27 N 0.00 1.27 0.41 0.00 2.07 0.10 -3.06 116.25 117.05 1g3i h VAL 27 Ca -0.00 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 1g3i h VAL 27 Cb 0.69 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1g3i h VAL 27 CO 0.05 0.44 -0.20 0.00 0.02 0.00 0.00 177.57 177.88 1g3i h ALA 28 N 1.12 -0.73 0.00 1.67 0.00 0.35 -3.06 119.26 118.61 1g3i h ALA 28 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1g3i h ALA 28 Cb 0.72 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1g3i h ALA 28 CO 0.06 -0.69 0.27 0.44 0.00 0.00 0.00 179.25 179.33 1g3i n ILE 29 N -4.31 0.92 0.09 0.00 -5.35 -0.60 0.71 119.36 110.82 1g3i n ILE 29 Ca -0.07 0.50 -0.23 0.00 -0.27 0.00 0.00 62.75 62.68 1g3i n ILE 29 Cb 0.22 -1.50 -0.15 0.00 -1.74 0.00 0.00 39.64 36.47 1g3i n ILE 29 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g3i h ALA 30 N 0.92 0.10 0.02 -1.28 0.00 -1.43 -3.08 119.26 114.51 1g3i h ALA 30 Ca 0.00 -1.08 -0.21 0.00 0.00 0.00 0.00 54.91 53.62 1g3i h ALA 30 Cb 0.54 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1g3i h ALA 30 CO 0.00 0.97 -0.94 1.25 0.00 0.00 0.00 179.25 180.53 1g3i h LEU 31 N 0.11 0.35 -0.65 0.00 5.85 0.27 -3.25 115.31 117.99 1g3i h LEU 31 Ca -0.32 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.00 1g3i h LEU 31 Cb 2.11 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 43.02 1g3i h LEU 31 CO 0.20 1.11 -0.17 -0.09 -0.34 0.00 0.00 178.44 179.14 1g3i h ARG 32 N 0.14 0.87 0.00 1.25 9.65 -1.53 -2.93 114.38 121.83 1g3i h ARG 32 Ca -0.06 -0.33 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 1g3i h ARG 32 Cb 1.58 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 30.11 1g3i h ARG 32 CO 0.15 0.97 0.00 0.09 2.80 0.00 0.00 179.97 183.98 1g3i n ASN 33 N -4.13 0.00 -0.92 -3.80 3.02 -1.16 -1.59 115.26 106.68 1g3i n ASN 33 Ca 0.01 -0.29 0.12 0.00 -0.03 0.00 0.00 54.58 54.38 1g3i n ASN 33 Cb 0.42 -0.21 0.09 0.00 -0.61 0.00 0.00 39.78 39.47 1g3i n ASN 33 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1g3i n ARG 34 N -1.21 2.22 -0.08 3.52 0.63 -1.11 -3.76 116.66 116.87 1g3i n ARG 34 Ca 0.14 -1.86 -0.18 0.00 -0.92 0.00 0.00 57.85 55.04 1g3i n ARG 34 Cb 0.18 -1.45 -0.06 0.00 0.45 0.00 0.00 32.46 31.57 1g3i n ARG 34 CO 0.00 0.00 0.00 1.87 -2.51 0.00 0.00 177.63 176.99 1g3i n TRP 35 N 1.25 0.00 0.19 -0.14 -0.00 -0.92 -4.25 117.44 113.58 1g3i n TRP 35 Ca 0.14 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.75 1g3i n TRP 35 Cb 0.58 -0.60 0.60 0.00 -0.00 0.00 0.00 31.31 31.89 1g3i n TRP 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1g3i h ARG 36 N -0.61 0.00 0.00 5.87 2.47 -1.48 0.62 114.38 121.25 1g3i h ARG 36 Ca -0.42 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.18 1g3i h ARG 36 Cb 1.36 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.66 1g3i h ARG 36 CO -0.26 0.00 -0.70 -0.09 0.56 0.00 0.00 179.97 179.48 1g3i h ARG 37 N 0.00 0.00 -0.07 0.04 2.43 -1.76 -3.35 114.38 111.67 1g3i h ARG 37 Ca 0.00 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1g3i h ARG 37 Cb 0.23 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1g3i h ARG 37 CO 0.00 0.48 -0.08 1.98 -1.51 0.00 0.00 179.97 180.83 1g3i h MET 38 N 0.00 0.18 -3.37 0.20 4.05 0.08 -3.34 114.93 112.73 1g3i h MET 38 Ca -0.03 -0.10 -0.39 0.00 -0.28 0.00 0.00 59.70 58.90 1g3i h MET 38 Cb 1.43 0.01 0.02 0.00 -0.80 0.00 0.00 31.60 32.26 1g3i h MET 38 CO 0.06 0.63 2.62 1.04 0.23 0.00 0.00 176.91 181.49 1g3i n GLN 39 N -4.69 2.18 -3.80 0.39 3.00 -1.22 -4.76 117.38 108.48 1g3i n GLN 39 Ca -0.07 -1.48 -0.13 0.00 -0.01 0.00 0.00 57.00 55.31 1g3i n GLN 39 Cb 0.32 -2.45 -0.09 0.00 0.00 0.00 0.00 30.24 28.01 1g3i n GLN 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1g3i s LEU 40 N 0.10 1.08 0.00 1.08 1.43 -1.26 -5.08 118.68 116.03 1g3i s LEU 40 Ca 0.42 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 1g3i s LEU 40 Cb 0.11 1.05 0.00 0.00 0.03 0.00 0.00 46.19 47.38 1g3i s LEU 40 CO -0.03 -0.38 0.00 0.00 0.23 0.00 0.00 176.35 176.16 1g3i n GLN 41 N 1.53 1.08 0.07 1.70 10.64 -1.26 -4.82 117.38 126.31 1g3i n GLN 41 Ca -0.21 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 54.86 1g3i n GLN 41 Cb 0.56 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.87 1g3i n GLN 41 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1g3i h GLU 42 N 0.00 -0.24 0.00 2.61 4.57 -2.00 -3.35 114.58 116.17 1g3i h GLU 42 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1g3i h GLU 42 Cb 0.00 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1g3i h GLU 42 CO 0.00 0.16 0.00 -2.30 -1.18 0.00 0.00 179.01 175.69 1g3i n PRO 43 N -4.95 0.00 -0.22 0.92 -0.02 -1.26 -2.98 135.00 126.49 1g3i n PRO 43 Ca -0.08 0.35 -0.01 0.00 -2.02 0.00 0.00 63.50 61.74 1g3i n PRO 43 Cb 0.26 -1.13 -0.02 0.00 -0.02 0.00 0.00 33.50 32.59 1g3i n PRO 43 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1g3i n LEU 44 N -1.16 1.73 0.14 2.45 4.77 -1.26 -3.42 117.00 120.25 1g3i n LEU 44 Ca 0.00 -1.00 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 1g3i n LEU 44 Cb 0.00 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.69 1g3i n LEU 44 CO 0.00 0.29 0.00 -1.14 -1.33 0.00 0.00 177.39 175.21 1g3i n ARG 45 N 2.21 0.00 0.00 3.23 0.63 -1.16 -4.71 116.66 116.85 1g3i n ARG 45 Ca 0.05 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.05 1g3i n ARG 45 Cb 0.21 -0.05 0.30 0.00 0.45 0.00 0.00 32.46 33.37 1g3i n ARG 45 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1g3i n HIS 46 N -3.49 0.00 -3.47 -0.14 1.44 -1.21 -3.63 115.22 104.72 1g3i n HIS 46 Ca 0.00 0.00 -0.27 0.00 -2.01 0.00 0.00 57.72 55.44 1g3i n HIS 46 Cb 0.00 -0.46 -0.09 0.00 0.12 0.00 0.00 29.99 29.56 1g3i n HIS 46 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 1g3i n GLU 47 N -1.46 1.76 -2.69 -1.40 0.28 -1.25 -4.77 120.64 111.10 1g3i n GLU 47 Ca 0.04 -4.17 -0.06 0.00 -0.16 0.00 0.00 57.16 52.80 1g3i n GLU 47 Cb 0.15 -1.98 0.09 0.00 1.43 0.00 0.00 31.44 31.14 1g3i n GLU 47 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1g3i n VAL 48 N 1.40 0.00 -1.48 3.84 3.14 -1.24 -4.88 118.33 119.12 1g3i n VAL 48 Ca 0.26 -1.34 -0.55 0.00 -2.96 0.00 0.00 64.34 59.75 1g3i n VAL 48 Cb 0.43 0.93 -0.06 0.00 -1.06 0.00 0.00 33.84 34.08 1g3i n VAL 48 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1g3i n THR 49 N -0.56 0.57 -0.65 1.55 -1.04 -1.26 -4.91 114.28 107.97 1g3i n THR 49 Ca -0.07 -0.14 -0.31 0.00 -2.04 0.00 0.00 64.05 61.48 1g3i n THR 49 Cb 0.81 -0.08 0.17 0.00 -1.82 0.00 0.00 70.33 69.41 1g3i n THR 49 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1g3i n PRO 50 N 1.42 -1.74 -3.58 -2.82 -0.02 -1.26 -4.96 135.00 122.05 1g3i n PRO 50 Ca 0.19 -0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 60.77 1g3i n PRO 50 Cb 0.14 -1.68 -0.08 0.00 -0.02 0.00 0.00 33.50 31.86 1g3i n PRO 50 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1g3i s LYS 51 N -3.46 2.64 0.84 -0.52 -0.14 -1.26 -5.06 119.74 112.78 1g3i s LYS 51 Ca 0.55 -2.09 -0.12 0.00 -1.36 0.00 0.00 55.97 52.95 1g3i s LYS 51 Cb -0.11 -3.93 0.10 0.00 -1.68 0.00 0.00 37.83 32.22 1g3i s LYS 51 CO 0.63 -1.20 1.18 -0.80 -0.76 0.00 0.00 175.35 174.41 1g3i s ASN 52 N 1.99 3.41 0.11 2.83 0.01 -1.26 -4.79 114.94 117.24 1g3i s ASN 52 Ca 0.11 2.28 0.09 0.00 -0.71 0.00 0.00 52.86 54.63 1g3i s ASN 52 Cb -0.22 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.83 1g3i s ASN 52 CO -0.03 -2.79 -0.23 -0.63 -1.51 0.00 0.00 177.10 171.92 1g3i s ILE 53 N -2.36 1.89 -0.18 0.60 1.01 -0.54 -2.32 121.20 119.29 1g3i s ILE 53 Ca 0.70 -1.62 -0.00 0.00 0.00 0.00 0.00 60.65 59.73 1g3i s ILE 53 Cb -0.26 -1.70 0.05 0.00 0.01 0.00 0.00 42.46 40.55 1g3i s ILE 53 CO 0.53 -0.02 -0.05 -0.76 0.00 0.00 0.00 174.94 174.64 1g3i s LEU 54 N -1.98 1.79 -0.31 2.97 1.43 -0.43 -1.16 118.68 120.99 1g3i s LEU 54 Ca 0.09 -0.77 -0.21 0.00 -1.03 0.00 0.00 54.13 52.22 1g3i s LEU 54 Cb -0.10 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.15 1g3i s LEU 54 CO 0.05 -0.19 0.64 -0.04 0.23 0.00 0.00 176.35 177.04 1g3i s MET 55 N 1.59 3.88 -0.42 1.70 -1.94 0.16 -1.76 119.30 122.51 1g3i s MET 55 Ca -0.00 0.29 -0.15 0.00 -1.71 0.00 0.00 55.69 54.12 1g3i s MET 55 Cb -0.16 -3.74 0.03 0.00 2.01 0.00 0.00 34.83 32.97 1g3i s MET 55 CO -0.08 -0.60 0.31 0.42 -0.01 0.00 0.00 175.02 175.06 1g3i s ILE 56 N 2.65 5.16 -0.20 2.53 1.01 0.10 -1.17 121.20 131.28 1g3i s ILE 56 Ca 0.26 -0.77 -0.35 0.00 0.00 0.00 0.00 60.65 59.78 1g3i s ILE 56 Cb -0.15 -3.92 0.14 0.00 0.01 0.00 0.00 42.46 38.55 1g3i s ILE 56 CO 0.12 -0.35 1.22 -0.83 0.00 0.00 0.00 174.94 175.10 1g3i s GLY 57 N 1.84 -0.28 0.00 6.18 0.00 -0.80 -0.53 107.32 113.73 1g3i s GLY 57 Ca 0.04 1.65 0.00 0.00 0.00 0.00 0.00 44.72 46.42 1g3i s GLY 57 CO 0.09 0.56 0.00 -1.05 0.00 0.00 0.00 173.10 172.70 1g3i n PRO 58 N -0.07 1.35 -3.89 2.90 -0.02 -1.26 -3.71 135.00 130.31 1g3i n PRO 58 Ca 0.01 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.17 1g3i n PRO 58 Cb 0.58 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.93 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 -0.19 2.90 0.00 3.45 2.01 -1.26 -4.58 115.64 117.97 1g3i s THR 59 Ca 0.00 -3.09 0.00 0.00 0.31 0.00 0.00 61.69 58.91 1g3i s THR 59 Cb 0.00 -2.98 0.00 0.00 0.01 0.00 0.00 72.50 69.53 1g3i s THR 59 CO 0.00 -0.80 0.00 0.61 -0.69 0.00 0.00 174.62 173.74 1g3i n GLY 60 N 3.37 0.93 0.00 4.40 0.00 -1.25 -3.23 105.19 109.40 1g3i n GLY 60 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 0.37 -1.27 1.61 0.24 -1.26 -3.19 118.33 114.83 1g3i n VAL 61 Ca 0.00 0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.39 1g3i n VAL 61 Cb 0.00 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 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 0.29 -2.45 0.00 7.63 0.00 -1.26 -4.96 105.19 104.44 1g3i n GLY 62 Ca 0.10 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.12 1.33 -0.00 1.61 5.02 -1.26 -4.52 118.16 120.45 1g3i n LYS 63 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1g3i n LYS 63 Cb 0.00 -0.97 -0.14 0.00 -0.02 0.00 0.00 35.03 33.90 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 0.84 -0.24 -0.18 2.02 -1.98 -3.30 112.91 110.07 1g3i h THR 64 Ca 0.00 -2.62 -0.01 0.00 0.77 0.00 0.00 66.41 64.55 1g3i h THR 64 Cb 0.27 2.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.17 1g3i h THR 64 CO 0.00 0.67 0.10 -0.33 0.37 0.00 0.00 175.52 176.34 1g3i h GLU 65 N 0.03 0.35 0.00 6.66 4.39 -1.97 0.18 114.58 124.23 1g3i h GLU 65 Ca -0.32 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1g3i h GLU 65 Cb 2.01 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.60 1g3i h GLU 65 CO 0.09 0.37 0.00 -0.89 -1.16 0.00 0.00 179.01 177.43 1g3i n ILE 66 N -4.81 1.05 -0.00 3.13 5.41 -1.26 -0.55 119.36 122.33 1g3i n ILE 66 Ca -0.03 0.37 0.10 0.00 1.00 0.00 0.00 62.75 64.19 1g3i n ILE 66 Cb 0.11 -1.29 -0.15 0.00 -0.71 0.00 0.00 39.64 37.61 1g3i n ILE 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i n ALA 67 N -1.68 2.74 0.06 -1.39 0.00 -0.76 -4.32 120.51 115.16 1g3i n ALA 67 Ca 0.01 -0.47 -0.20 0.00 0.00 0.00 0.00 53.44 52.78 1g3i n ALA 67 Cb 0.15 -0.67 -0.15 0.00 0.00 0.00 0.00 19.45 18.78 1g3i n ALA 67 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1g3i h ARG 68 N 0.00 0.32 -1.74 0.00 2.43 0.03 -3.30 114.38 112.13 1g3i h ARG 68 Ca 0.00 -0.55 -0.13 0.00 -0.81 0.00 0.00 59.98 58.49 1g3i h ARG 68 Cb 0.89 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.59 1g3i h ARG 68 CO 0.00 1.22 0.17 0.54 -1.51 0.00 0.00 179.97 180.39 1g3i n ARG 69 N -3.52 1.32 -0.02 0.20 5.12 0.29 -2.07 116.66 117.98 1g3i n ARG 69 Ca -0.23 -0.64 0.00 0.00 -1.93 0.00 0.00 57.85 55.05 1g3i n ARG 69 Cb 1.06 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 31.11 1g3i n ARG 69 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1g3i n LEU 70 N 0.96 0.00 0.00 0.55 7.94 -1.24 -4.54 117.00 120.66 1g3i n LEU 70 Ca 0.12 -0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1g3i n LEU 70 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 1g3i n LEU 70 CO 0.15 0.09 -0.48 0.00 -1.11 0.00 0.00 177.39 176.05 1g3i n ALA 71 N 0.00 2.01 0.06 1.96 0.00 -0.88 -4.55 120.51 119.11 1g3i n ALA 71 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1g3i n ALA 71 Cb 0.51 0.48 -0.07 0.00 0.00 0.00 0.00 19.45 20.37 1g3i n ALA 71 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1g3i h LYS 72 N 0.00 0.00 -1.87 0.00 1.79 -1.86 -0.81 116.57 113.83 1g3i h LYS 72 Ca 0.00 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 57.77 1g3i h LYS 72 Cb 0.96 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.28 1g3i h LYS 72 CO 0.00 0.55 0.35 1.28 -1.08 0.00 0.00 179.45 180.55 1g3i n LEU 73 N -3.12 6.38 0.00 2.94 4.32 -1.26 -4.10 117.00 122.15 1g3i n LEU 73 Ca -0.05 -5.06 0.00 0.00 -0.02 0.00 0.00 56.01 50.88 1g3i n LEU 73 Cb 0.87 -0.84 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 1g3i n LEU 73 CO 0.44 1.98 0.00 0.00 -1.22 0.00 0.00 177.39 178.59 1g3i n ALA 74 N -0.47 0.00 -3.05 -1.18 0.00 -1.25 -4.76 120.51 109.80 1g3i n ALA 74 Ca 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.91 1g3i n ALA 74 Cb 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.84 1g3i n ALA 74 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1g3i n ASN 75 N 0.00 -7.07 -3.62 0.00 5.03 -0.34 -4.96 115.26 104.30 1g3i n ASN 75 Ca 0.00 0.97 -0.08 0.00 0.87 0.00 0.00 54.58 56.33 1g3i n ASN 75 Cb 0.00 -1.83 -0.06 0.00 -1.02 0.00 0.00 39.78 36.87 1g3i n ASN 75 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1g3i s ALA 76 N -0.10 -2.00 0.00 5.41 0.00 -0.99 -5.02 121.76 119.07 1g3i s ALA 76 Ca -0.02 1.75 -0.34 0.00 0.00 0.00 0.00 51.96 53.34 1g3i s ALA 76 Cb 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 23.12 21.78 1g3i s ALA 76 CO 0.06 -0.25 1.75 -2.30 0.00 0.00 0.00 175.76 175.03 1g3i n PRO 77 N 1.47 2.11 -4.34 0.00 -0.02 -1.23 -4.76 135.00 128.23 1g3i n PRO 77 Ca -0.11 0.77 -0.23 0.00 -2.02 0.00 0.00 63.50 61.91 1g3i n PRO 77 Cb 0.57 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.39 1g3i n PRO 77 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1g3i s PHE 78 N 2.82 2.59 -0.30 6.00 5.36 -1.26 -1.63 117.98 131.56 1g3i s PHE 78 Ca 0.88 -0.25 -0.16 0.00 -0.96 0.00 0.00 56.93 56.44 1g3i s PHE 78 Cb -0.71 -1.15 0.17 0.00 -0.34 0.00 0.00 43.02 41.00 1g3i s PHE 78 CO 0.47 0.64 1.06 -1.50 -1.46 0.00 0.00 175.22 174.43 1g3i s ILE 79 N -2.33 -0.27 -0.12 3.12 1.10 -1.14 -4.83 121.20 116.72 1g3i s ILE 79 Ca 0.31 0.00 -0.05 0.00 -0.51 0.00 0.00 60.65 60.40 1g3i s ILE 79 Cb -0.06 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.51 1g3i s ILE 79 CO 0.18 0.00 0.04 -0.75 -2.11 0.00 0.00 174.94 172.30 1g3i s LYS 80 N 2.00 3.40 0.04 3.50 2.20 -1.26 -0.94 119.74 128.69 1g3i s LYS 80 Ca -0.04 -0.35 0.05 0.00 -0.36 0.00 0.00 55.97 55.27 1g3i s LYS 80 Cb -0.04 -3.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 1g3i s LYS 80 CO -0.16 0.56 -0.14 0.14 -0.36 0.00 0.00 175.35 175.39 1g3i s VAL 81 N -0.46 1.13 -0.39 4.02 -7.23 0.10 -4.97 120.40 112.60 1g3i s VAL 81 Ca 0.09 -1.04 -0.04 0.00 -1.81 0.00 0.00 61.98 59.18 1g3i s VAL 81 Cb -0.12 -1.03 0.10 0.00 0.56 0.00 0.00 36.38 35.88 1g3i s VAL 81 CO 0.02 -0.02 0.18 -0.70 -0.31 0.00 0.00 175.10 174.27 1g3i s GLU 82 N -1.21 2.18 -0.28 4.82 2.56 -1.26 -1.20 118.70 124.30 1g3i s GLU 82 Ca 0.01 -1.67 -0.34 0.00 0.00 0.00 0.00 54.97 52.97 1g3i s GLU 82 Cb -0.08 -3.55 -0.11 0.00 2.00 0.00 0.00 34.13 32.39 1g3i s GLU 82 CO 0.01 -0.98 2.12 0.00 -0.56 0.00 0.00 175.26 175.85 1g3i n ALA 83 N 4.65 1.09 0.00 6.30 0.00 -1.26 -5.06 120.51 126.24 1g3i n ALA 83 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1g3i n ALA 83 Cb 0.42 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1g3i n ALA 83 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1g3i n GLU 95 N 7.89 0.00 -0.11 0.00 4.07 -1.26 -5.11 120.64 126.12 1g3i n GLU 95 Ca 0.36 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 57.28 1g3i n GLU 95 Cb 0.27 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.55 1g3i n GLU 95 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1g3i n VAL 96 N 0.00 1.28 0.32 6.31 0.31 -1.26 -4.48 118.33 120.81 1g3i n VAL 96 Ca 0.00 -0.45 0.15 0.00 -0.01 0.00 0.00 64.34 64.03 1g3i n VAL 96 Cb 0.00 -1.40 0.61 0.00 -0.91 0.00 0.00 33.84 32.14 1g3i n VAL 96 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1g3i h ASP 97 N -0.19 0.00 0.00 4.52 3.32 -2.03 -3.01 116.42 119.03 1g3i h ASP 97 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 1g3i h ASP 97 Cb 1.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.27 1g3i h ASP 97 CO -0.14 0.00 0.09 0.77 -1.72 0.00 0.00 179.24 178.24 1g3i h SER 98 N 0.00 0.00 0.90 6.45 4.64 -1.99 0.50 113.55 124.05 1g3i h SER 98 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1g3i h SER 98 Cb 0.48 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 1g3i h SER 98 CO 0.00 0.00 -0.31 0.40 -0.87 0.00 0.00 176.83 176.05 1g3i h ILE 99 N 0.00 0.73 0.00 0.95 2.04 -1.83 -2.34 117.51 117.06 1g3i h ILE 99 Ca 0.00 -1.35 -0.29 0.00 1.00 0.00 0.00 64.86 64.23 1g3i h ILE 99 Cb 0.18 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.08 1g3i h ILE 99 CO 0.00 0.30 -1.56 -0.38 0.00 0.00 0.00 178.15 176.51 1g3i n ILE 100 N -3.47 1.54 -0.08 -0.67 2.08 0.17 -3.22 119.36 115.71 1g3i n ILE 100 Ca -0.00 -0.12 0.25 0.00 0.56 0.00 0.00 62.75 63.44 1g3i n ILE 100 Cb 0.48 -2.00 0.72 0.00 -0.75 0.00 0.00 39.64 38.09 1g3i n ILE 100 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1g3i h ARG 101 N -0.97 0.00 0.00 0.38 2.43 -1.38 0.27 114.38 115.11 1g3i h ARG 101 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1g3i h ARG 101 Cb 1.39 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 1g3i h ARG 101 CO -0.25 0.00 -1.23 -0.25 -1.51 0.00 0.00 179.97 176.73 1g3i n ASP 102 N -4.10 0.65 0.20 -3.80 10.43 -0.88 -3.26 116.55 115.78 1g3i n ASP 102 Ca 0.14 0.24 0.07 0.00 2.57 0.00 0.00 54.79 57.81 1g3i n ASP 102 Cb 0.83 0.80 0.34 0.00 1.84 0.00 0.00 41.12 44.94 1g3i n ASP 102 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1g3i h LEU 103 N 0.00 0.00 0.13 0.64 5.85 -0.46 -2.97 115.31 118.50 1g3i h LEU 103 Ca 0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 1g3i h LEU 103 Cb 0.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1g3i h LEU 103 CO 0.00 0.33 -1.44 0.74 -0.34 0.00 0.00 178.44 177.74 1g3i h THR 104 N 0.00 1.27 0.00 1.05 2.02 -1.46 -3.27 112.91 112.53 1g3i h THR 104 Ca -0.00 -2.87 0.00 0.00 0.77 0.00 0.00 66.41 64.30 1g3i h THR 104 Cb 0.90 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 1g3i h THR 104 CO 0.04 0.84 0.00 0.47 0.37 0.00 0.00 175.52 177.25 1g3i n ASP 105 N -3.50 0.00 -0.95 4.18 9.92 -1.13 -2.30 116.55 122.77 1g3i n ASP 105 Ca -0.14 -0.02 -0.00 0.00 -0.53 0.00 0.00 54.79 54.10 1g3i n ASP 105 Cb 1.04 -0.25 0.20 0.00 -0.64 0.00 0.00 41.12 41.47 1g3i n ASP 105 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1g3i n SER 106 N -1.25 2.38 0.00 -2.24 2.88 -1.16 -4.43 113.62 109.79 1g3i n SER 106 Ca 0.09 -3.72 0.00 0.00 -1.33 0.00 0.00 58.87 53.91 1g3i n SER 106 Cb 0.13 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1g3i n SER 106 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g3i n ALA 107 N -1.10 1.70 -0.05 -1.46 0.00 -0.97 -4.57 120.51 114.07 1g3i n ALA 107 Ca 0.28 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.76 1g3i n ALA 107 Cb 0.92 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.60 1g3i n ALA 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1g3i n MET 108 N -0.91 3.17 -0.03 0.00 2.81 -1.26 -1.40 117.12 119.50 1g3i n MET 108 Ca 0.00 -1.76 0.01 0.00 -1.81 0.00 0.00 57.70 54.14 1g3i n MET 108 Cb 0.00 -1.92 0.02 0.00 -0.71 0.00 0.00 33.22 30.61 1g3i n MET 108 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1g3i n LYS 109 N 0.36 2.08 0.00 0.03 4.81 -1.26 -3.97 118.16 120.20 1g3i n LYS 109 Ca 0.16 -1.45 0.00 0.00 -0.87 0.00 0.00 58.31 56.15 1g3i n LYS 109 Cb 0.78 -0.96 0.00 0.00 0.02 0.00 0.00 35.03 34.87 1g3i n LYS 109 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1g3i n LEU 110 N -0.52 0.07 -0.02 3.14 4.77 -1.18 -4.47 117.00 118.79 1g3i n LEU 110 Ca 0.02 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.80 1g3i n LEU 110 Cb 0.37 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.33 1g3i n LEU 110 CO 0.00 0.01 -0.38 0.58 -1.33 0.00 0.00 177.39 176.27 1g3i h VAL 111 N 0.00 1.06 -0.05 4.08 2.07 -1.50 -2.93 116.25 118.99 1g3i h VAL 111 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1g3i h VAL 111 Cb 0.07 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1g3i h VAL 111 CO 0.00 0.62 0.00 -1.14 0.02 0.00 0.00 177.57 177.07 1g3i n ARG 112 N -4.09 1.59 -0.10 1.57 0.63 -1.25 -2.71 116.66 112.31 1g3i n ARG 112 Ca -0.25 -0.87 0.09 0.00 -0.92 0.00 0.00 57.85 55.90 1g3i n ARG 112 Cb 0.82 -1.46 0.13 0.00 0.45 0.00 0.00 32.46 32.40 1g3i n ARG 112 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1g3i n GLN 113 N 0.06 1.92 0.00 -0.14 -0.06 -1.25 -4.00 117.38 113.92 1g3i n GLN 113 Ca 0.19 -1.84 0.00 0.00 -2.00 0.00 0.00 57.00 53.35 1g3i n GLN 113 Cb 0.32 -1.37 0.00 0.00 -4.06 0.00 0.00 30.24 25.13 1g3i n GLN 113 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 1g3i n GLN 114 N 1.03 0.62 0.00 3.69 7.27 -1.10 -4.59 117.38 124.30 1g3i n GLN 114 Ca 0.13 -0.36 0.04 0.00 0.07 0.00 0.00 57.00 56.88 1g3i n GLN 114 Cb 0.47 -0.85 -0.03 0.00 2.41 0.00 0.00 30.24 32.23 1g3i n GLN 114 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1g3i n GLU 115 N -0.19 3.66 -0.23 3.69 2.13 -1.19 -4.17 120.64 124.33 1g3i n GLU 115 Ca 0.00 -0.16 0.06 0.00 0.66 0.00 0.00 57.16 57.71 1g3i n GLU 115 Cb 0.02 -0.94 0.17 0.00 0.27 0.00 0.00 31.44 30.96 1g3i n GLU 115 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1g3i n ILE 116 N -0.93 0.65 0.00 6.31 0.13 -1.26 -2.37 119.36 121.89 1g3i n ILE 116 Ca 0.02 -0.53 -0.00 0.00 -1.10 0.00 0.00 62.75 61.14 1g3i n ILE 116 Cb 0.15 0.14 -0.00 0.00 -0.84 0.00 0.00 39.64 39.09 1g3i n ILE 116 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1g3i n ALA 117 N 0.55 2.98 0.04 1.51 0.00 -1.26 -4.58 120.51 119.75 1g3i n ALA 117 Ca 0.13 -0.01 -0.10 0.00 0.00 0.00 0.00 53.44 53.45 1g3i n ALA 117 Cb 0.38 0.48 -0.13 0.00 0.00 0.00 0.00 19.45 20.18 1g3i n ALA 117 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1g3i h LYS 118 N -0.01 0.08 0.00 0.00 2.10 -1.72 -3.38 116.57 113.63 1g3i h LYS 118 Ca -0.01 -0.13 -0.01 0.00 -2.00 0.00 0.00 60.65 58.50 1g3i h LYS 118 Cb 0.94 0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1g3i h LYS 118 CO -0.00 0.91 -0.09 -0.97 -2.00 0.00 0.00 179.45 177.30 1g3i h ASN 119 N 0.02 0.00 0.00 7.07 -0.00 -1.78 -3.51 115.58 117.38 1g3i h ASN 119 Ca -0.14 -0.25 0.00 0.00 -0.00 0.00 0.00 56.30 55.91 1g3i h ASN 119 Cb 1.90 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.22 1g3i h ASN 119 CO 0.13 0.67 0.00 -2.11 -0.00 0.00 0.00 177.43 176.12 1g3i n ARG 120 N -4.72 0.00 -0.09 6.67 1.85 -1.24 -5.08 116.66 114.06 1g3i n ARG 120 Ca -0.04 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.70 1g3i n ARG 120 Cb 0.16 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.48 1g3i n ARG 120 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 1g3i n ASP 228 N 0.00 2.34 -0.00 2.89 -0.08 -1.26 -4.74 116.55 115.70 1g3i n ASP 228 Ca 0.00 -0.08 0.04 0.00 -1.51 0.00 0.00 54.79 53.24 1g3i n ASP 228 Cb 0.00 -0.04 -0.06 0.00 2.34 0.00 0.00 41.12 43.36 1g3i n ASP 228 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1g3i n ASP 229 N -2.93 2.38 -0.02 1.67 8.00 -1.26 -4.15 116.55 120.24 1g3i n ASP 229 Ca -0.30 -0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.01 1g3i n ASP 229 Cb 0.87 1.27 -0.06 0.00 -0.02 0.00 0.00 41.12 43.18 1g3i n ASP 229 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1g3i n GLU 230 N -1.62 1.50 0.09 -1.24 1.02 -1.26 -4.45 120.64 114.68 1g3i n GLU 230 Ca -0.01 -0.04 -0.08 0.00 -0.02 0.00 0.00 57.16 57.01 1g3i n GLU 230 Cb 0.19 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1g3i n GLU 230 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g3i h ALA 231 N 0.56 0.55 -0.02 0.62 0.00 -2.03 -2.99 119.26 115.96 1g3i h ALA 231 Ca -0.10 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1g3i h ALA 231 Cb 0.92 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1g3i h ALA 231 CO 0.01 0.92 0.00 0.00 0.00 0.00 0.00 179.25 180.17 1g3i n ALA 232 N -2.45 2.63 -1.13 0.00 0.00 -1.26 -3.57 120.51 114.72 1g3i n ALA 232 Ca -0.03 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.15 1g3i n ALA 232 Cb 0.79 -1.35 0.27 0.00 0.00 0.00 0.00 19.45 19.16 1g3i n ALA 232 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1g3i n LYS 233 N -0.70 3.10 0.10 0.00 5.02 -1.13 -4.11 118.16 120.45 1g3i n LYS 233 Ca 0.18 -3.06 -0.18 0.00 -2.02 0.00 0.00 58.31 53.23 1g3i n LYS 233 Cb 0.13 -2.08 -0.12 0.00 -0.02 0.00 0.00 35.03 32.94 1g3i n LYS 233 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1g3i h LEU 234 N 2.05 0.58 0.00 -0.35 6.46 -1.75 -3.50 115.31 118.80 1g3i h LEU 234 Ca 0.25 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1g3i h LEU 234 Cb 2.11 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.86 1g3i h LEU 234 CO 0.62 1.42 0.00 -0.38 -0.62 0.00 0.00 178.44 179.48 1g3i n ILE 235 N -3.64 0.00 -3.52 4.05 2.08 -1.26 -4.84 119.36 112.23 1g3i n ILE 235 Ca -0.10 0.00 -0.31 0.00 0.56 0.00 0.00 62.75 62.89 1g3i n ILE 235 Cb 1.00 0.00 -0.07 0.00 -0.75 0.00 0.00 39.64 39.81 1g3i n ILE 235 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1g3i n ASN 236 N -2.49 4.07 0.00 4.38 3.02 -1.26 -5.01 115.26 117.96 1g3i n ASN 236 Ca 0.00 -3.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.23 1g3i n ASN 236 Cb 0.04 -0.85 0.00 0.00 -0.61 0.00 0.00 39.78 38.36 1g3i n ASN 236 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1g3i n PRO 237 N 1.47 0.00 0.00 3.52 -0.02 -1.26 -1.67 135.00 137.03 1g3i n PRO 237 Ca 0.25 0.90 0.06 0.00 -2.02 0.00 0.00 63.50 62.70 1g3i n PRO 237 Cb 0.38 -1.40 0.37 0.00 -0.02 0.00 0.00 33.50 32.82 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 -2.60 0.90 -0.11 -0.52 1.02 -1.26 -2.86 120.64 115.21 1g3i n GLU 238 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1g3i n GLU 238 Cb 0.00 -1.21 -0.14 0.00 -0.02 0.00 0.00 31.44 30.07 1g3i n GLU 238 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1g3i n GLU 239 N -0.71 0.67 0.03 3.49 4.07 -0.81 -4.41 120.64 122.97 1g3i n GLU 239 Ca 0.09 0.10 -0.07 0.00 -0.06 0.00 0.00 57.16 57.22 1g3i n GLU 239 Cb 0.04 -1.54 -0.12 0.00 -0.06 0.00 0.00 31.44 29.76 1g3i n GLU 239 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1g3i h LEU 240 N 0.00 0.00 -4.53 4.31 5.85 -1.32 -3.24 115.31 116.38 1g3i h LEU 240 Ca -0.55 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 57.74 1g3i h LEU 240 Cb 2.06 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 43.05 1g3i h LEU 240 CO -0.02 0.95 1.55 0.29 -0.34 0.00 0.00 178.44 180.86 1g3i n LYS 241 N -3.20 2.86 0.00 1.25 5.02 -1.14 -1.49 118.16 121.47 1g3i n LYS 241 Ca -0.07 -1.71 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 1g3i n LYS 241 Cb 0.97 -2.37 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1g3i n LYS 241 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1g3i n GLN 242 N 2.80 0.00 -0.00 1.97 -0.06 -1.26 -4.91 117.38 115.92 1g3i n GLN 242 Ca 0.59 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.64 1g3i n GLN 242 Cb 0.58 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.68 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 0.00 0.98 0.09 3.69 3.00 -0.78 -3.95 118.16 121.18 1g3i n LYS 243 Ca 0.00 -0.08 0.05 0.00 -0.00 0.00 0.00 58.31 58.29 1g3i n LYS 243 Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 35.03 33.81 1g3i n LYS 243 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1g3i h ALA 244 N 1.07 0.63 0.00 3.14 0.00 -1.57 -3.27 119.26 119.26 1g3i h ALA 244 Ca 0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 54.91 54.29 1g3i h ALA 244 Cb 0.44 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1g3i h ALA 244 CO 0.00 0.47 -1.00 0.82 0.00 0.00 0.00 179.25 179.55 1g3i h ILE 245 N 0.00 1.48 0.00 0.00 2.04 -1.79 -3.25 117.51 115.98 1g3i h ILE 245 Ca -0.07 -3.14 -0.10 0.00 1.00 0.00 0.00 64.86 62.55 1g3i h ILE 245 Cb 1.30 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 40.09 1g3i h ILE 245 CO 0.03 0.84 -0.47 0.44 0.00 0.00 0.00 178.15 178.99 1g3i h ASP 246 N 0.00 0.00 1.31 1.72 5.19 -1.68 0.53 116.42 123.48 1g3i h ASP 246 Ca -0.04 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1g3i h ASP 246 Cb 1.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.24 1g3i h ASP 246 CO 0.11 0.47 0.00 0.00 -3.12 0.00 0.00 179.24 176.71 1g3i h ALA 247 N 1.53 1.00 0.00 3.45 0.00 -1.60 -3.12 119.26 120.51 1g3i h ALA 247 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1g3i h ALA 247 Cb 1.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1g3i h ALA 247 CO 0.06 0.00 -1.44 0.28 0.00 0.00 0.00 179.25 178.16 1g3i n VAL 248 N -2.44 1.51 -0.48 0.00 0.31 -0.91 -2.43 118.33 113.88 1g3i n VAL 248 Ca 0.04 -0.01 0.40 0.00 -0.01 0.00 0.00 64.34 64.75 1g3i n VAL 248 Cb 0.38 -2.21 0.68 0.00 -0.91 0.00 0.00 33.84 31.78 1g3i n VAL 248 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1g3i h GLU 249 N -1.00 0.06 0.00 5.55 5.08 -0.05 -3.05 114.58 121.16 1g3i h GLU 249 Ca -0.21 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1g3i h GLU 249 Cb 1.16 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 1g3i h GLU 249 CO -0.13 0.04 -0.88 0.94 -1.00 0.00 0.00 179.01 177.98 1g3i n GLN 250 N -4.59 0.33 -2.88 2.33 -0.06 -1.18 -4.16 117.38 107.18 1g3i n GLN 250 Ca 0.38 0.14 -0.44 0.00 -2.00 0.00 0.00 57.00 55.08 1g3i n GLN 250 Cb 1.53 -1.08 -0.02 0.00 -4.06 0.00 0.00 30.24 26.60 1g3i n GLN 250 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 1g3i s ASN 251 N -6.06 6.63 -0.09 1.69 0.01 -1.02 -4.60 114.94 111.50 1g3i s ASN 251 Ca -0.19 -2.01 -0.04 0.00 -0.71 0.00 0.00 52.86 49.90 1g3i s ASN 251 Cb 0.04 -2.42 0.05 0.00 0.41 0.00 0.00 41.25 39.32 1g3i s ASN 251 CO 0.27 -1.10 0.21 -0.83 -1.51 0.00 0.00 177.10 174.14 1g3i s GLY 252 N 3.76 -0.09 -0.18 0.66 0.00 -1.22 -3.54 107.32 106.71 1g3i s GLY 252 Ca 0.35 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.92 1g3i s GLY 252 CO -0.09 1.28 -0.11 -0.42 0.00 0.00 0.00 173.10 173.76 1g3i s ILE 253 N 1.44 1.59 -0.16 0.90 1.01 -0.64 0.01 121.20 125.35 1g3i s ILE 253 Ca -0.07 -0.89 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 1g3i s ILE 253 Cb -0.11 -1.63 -0.03 0.00 0.01 0.00 0.00 42.46 40.70 1g3i s ILE 253 CO -0.07 0.24 -0.01 -0.69 0.00 0.00 0.00 174.94 174.41 1g3i s VAL 254 N 1.43 4.18 -0.18 2.92 1.01 0.11 -2.89 120.40 126.99 1g3i s VAL 254 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1g3i s VAL 254 Cb -0.15 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1g3i s VAL 254 CO -0.09 0.50 -0.18 0.12 0.00 0.00 0.00 175.10 175.45 1g3i s PHE 255 N 0.23 2.79 -0.59 5.22 5.36 -0.11 0.01 117.98 130.88 1g3i s PHE 255 Ca -0.00 -1.44 -0.05 0.00 -0.96 0.00 0.00 56.93 54.47 1g3i s PHE 255 Cb -0.13 -1.92 0.15 0.00 -0.34 0.00 0.00 43.02 40.78 1g3i s PHE 255 CO 0.02 -0.71 0.43 0.42 -1.46 0.00 0.00 175.22 173.92 1g3i s ILE 256 N 1.19 3.97 0.51 3.12 1.01 -0.18 0.02 121.20 130.84 1g3i s ILE 256 Ca 0.02 -2.55 -0.20 0.00 0.00 0.00 0.00 60.65 57.92 1g3i s ILE 256 Cb -0.14 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.67 1g3i s ILE 256 CO -0.09 -0.85 1.08 -0.62 0.00 0.00 0.00 174.94 174.47 1g3i s ASP 257 N 1.40 6.07 -0.31 3.58 2.15 -0.34 -0.91 116.67 128.32 1g3i s ASP 257 Ca 0.14 2.06 -0.27 0.00 0.43 0.00 0.00 52.55 54.90 1g3i s ASP 257 Cb -0.20 -2.57 0.04 0.00 -0.30 0.00 0.00 42.92 39.89 1g3i s ASP 257 CO -0.04 -0.98 0.46 -0.62 -0.17 0.00 0.00 175.17 173.82 1g3i n GLU 258 N -1.08 -1.39 -0.06 4.34 -0.58 -0.92 -4.00 120.64 116.94 1g3i n GLU 258 Ca 0.10 1.21 -0.17 0.00 -0.42 0.00 0.00 57.16 57.88 1g3i n GLU 258 Cb 0.52 -1.66 -0.14 0.00 -0.57 0.00 0.00 31.44 29.59 1g3i n GLU 258 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1g3i n ILE 259 N 0.29 1.60 -0.43 -3.67 3.06 -0.62 -4.23 119.36 115.36 1g3i n ILE 259 Ca -0.06 -0.67 0.38 0.00 -2.50 0.00 0.00 62.75 59.89 1g3i n ILE 259 Cb 0.63 -1.34 0.65 0.00 0.54 0.00 0.00 39.64 40.12 1g3i n ILE 259 CO 0.00 0.00 0.00 -2.24 -2.50 0.00 0.00 176.55 171.81 1g3i h ASP 260 N 0.03 0.23 0.00 9.51 2.03 -1.92 0.66 116.42 126.96 1g3i h ASP 260 Ca -0.48 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 1g3i h ASP 260 Cb 2.02 0.20 0.00 0.00 -0.83 0.00 0.00 39.33 40.71 1g3i h ASP 260 CO 0.02 -0.32 0.06 0.29 -1.03 0.00 0.00 179.24 178.26 1g3i n LYS 261 N -4.90 0.00 -0.25 4.15 4.76 -1.26 -0.88 118.16 119.78 1g3i n LYS 261 Ca 0.40 0.17 0.08 0.00 -2.87 0.00 0.00 58.31 56.09 1g3i n LYS 261 Cb 1.49 -1.56 0.15 0.00 -1.84 0.00 0.00 35.03 33.27 1g3i n LYS 261 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1g3i n ILE 262 N -1.09 1.84 -3.86 -0.18 -5.35 0.23 -5.00 119.36 105.95 1g3i n ILE 262 Ca 0.00 -2.38 -0.28 0.00 -0.27 0.00 0.00 62.75 59.82 1g3i n ILE 262 Cb 0.06 -0.18 -0.03 0.00 -1.74 0.00 0.00 39.64 37.74 1g3i n ILE 262 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g3i n LYS 264 N -0.26 2.66 -2.48 0.00 2.85 -1.24 -4.94 118.16 114.75 1g3i n LYS 264 Ca -0.05 0.96 -0.03 0.00 -1.05 0.00 0.00 58.31 58.14 1g3i n LYS 264 Cb 0.53 -2.78 -0.02 0.00 -0.65 0.00 0.00 35.03 32.11 1g3i n LYS 264 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1g3i n LYS 265 N 3.54 -4.75 0.00 -1.58 5.02 -1.26 -4.96 118.16 114.17 1g3i n LYS 265 Ca 0.15 3.50 0.00 0.00 -2.02 0.00 0.00 58.31 59.94 1g3i n LYS 265 Cb 0.34 -4.70 0.00 0.00 -0.02 0.00 0.00 35.03 30.66 1g3i n LYS 265 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1g3i n SER 269 N 1.83 0.00 -0.01 4.39 2.88 -1.26 -4.87 113.62 116.58 1g3i n SER 269 Ca -0.19 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.41 1g3i n SER 269 Cb 0.30 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.67 1g3i n SER 269 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1g3i n GLY 270 N 0.00 -0.53 0.42 0.46 0.00 -1.26 -4.31 105.19 99.98 1g3i n GLY 270 Ca 0.00 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.90 2.83 -2.93 4.61 0.00 -1.26 -4.47 120.51 117.39 1g3i n ALA 271 Ca -0.02 -0.46 -0.14 0.00 0.00 0.00 0.00 53.44 52.83 1g3i n ALA 271 Cb 0.30 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 1g3i n ALA 271 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1g3i n ASP 272 N -0.09 -1.92 0.00 0.00 5.68 -1.26 -4.95 116.55 114.02 1g3i n ASP 272 Ca 0.15 -2.99 0.08 0.00 -0.50 0.00 0.00 54.79 51.54 1g3i n ASP 272 Cb 0.38 0.92 0.50 0.00 -1.14 0.00 0.00 41.12 41.78 1g3i n ASP 272 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1g3i n VAL 273 N 1.89 0.00 0.41 2.12 0.31 -1.26 -3.02 118.33 118.79 1g3i n VAL 273 Ca 0.16 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.58 1g3i n VAL 273 Cb 0.58 -0.57 0.42 0.00 -0.91 0.00 0.00 33.84 33.35 1g3i n VAL 273 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1g3i n SER 274 N -0.90 0.41 0.25 4.52 3.41 -1.26 -1.93 113.62 118.11 1g3i n SER 274 Ca 0.13 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.48 1g3i n SER 274 Cb 0.06 -0.69 0.47 0.00 -0.26 0.00 0.00 64.21 63.78 1g3i n SER 274 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1g3i h ARG 275 N 0.00 0.00 -0.00 4.33 3.08 -1.85 -1.99 114.38 117.95 1g3i h ARG 275 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1g3i h ARG 275 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1g3i h ARG 275 CO 0.00 0.06 -0.83 -1.91 -1.07 0.00 0.00 179.97 176.22 1g3i n GLU 276 N -3.15 0.11 0.02 0.04 2.13 -0.81 -3.70 120.64 115.27 1g3i n GLU 276 Ca 0.02 -0.08 -0.18 0.00 0.66 0.00 0.00 57.16 57.57 1g3i n GLU 276 Cb 0.41 -1.50 -0.14 0.00 0.27 0.00 0.00 31.44 30.49 1g3i n GLU 276 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1g3i h GLY 277 N 4.99 0.29 0.96 8.31 0.00 -1.25 -2.86 103.07 113.51 1g3i h GLY 277 Ca 0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.64 1g3i h GLY 277 CO 0.00 0.60 -0.04 -2.08 0.00 0.00 0.00 176.54 175.02 1g3i h VAL 278 N -0.46 0.94 0.00 4.60 2.07 -1.62 0.35 116.25 122.14 1g3i h VAL 278 Ca -0.10 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1g3i h VAL 278 Cb 1.46 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1g3i h VAL 278 CO 0.12 0.02 0.12 1.67 0.02 0.00 0.00 177.57 179.52 1g3i n GLN 279 N -5.12 0.09 -0.12 1.57 7.27 -1.24 -1.23 117.38 118.60 1g3i n GLN 279 Ca -0.08 0.57 -0.24 0.00 0.07 0.00 0.00 57.00 57.32 1g3i n GLN 279 Cb 0.09 -1.92 -0.11 0.00 2.41 0.00 0.00 30.24 30.71 1g3i n GLN 279 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1g3i n ARG 280 N -2.00 0.63 0.01 3.69 3.00 0.20 -4.09 116.66 118.09 1g3i n ARG 280 Ca -0.01 0.26 0.08 0.00 -0.00 0.00 0.00 57.85 58.18 1g3i n ARG 280 Cb 0.14 -1.56 0.34 0.00 0.00 0.00 0.00 32.46 31.38 1g3i n ARG 280 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1g3i n ASP 281 N -3.85 0.05 -1.03 6.15 8.00 0.99 -1.44 116.55 125.42 1g3i n ASP 281 Ca -0.46 0.51 0.11 0.00 0.71 0.00 0.00 54.79 55.66 1g3i n ASP 281 Cb 0.92 -0.52 0.26 0.00 -0.02 0.00 0.00 41.12 41.75 1g3i n ASP 281 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1g3i n LEU 282 N -1.56 3.07 -0.02 0.64 7.94 -0.36 -4.28 117.00 122.43 1g3i n LEU 282 Ca 0.04 -1.35 -0.17 0.00 -1.11 0.00 0.00 56.01 53.42 1g3i n LEU 282 Cb 0.18 -0.25 -0.14 0.00 0.53 0.00 0.00 43.42 43.75 1g3i n LEU 282 CO 0.15 0.68 0.25 0.25 -1.11 0.00 0.00 177.39 177.60 1g3i h LEU 283 N 3.87 0.20 -2.00 -1.96 5.85 -1.40 -3.27 115.31 116.61 1g3i h LEU 283 Ca 0.00 -0.97 0.26 0.00 0.84 0.00 0.00 57.88 58.01 1g3i h LEU 283 Cb 0.86 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.79 1g3i h LEU 283 CO 0.00 1.16 0.65 -0.65 -0.34 0.00 0.00 178.44 179.26 1g3i h PRO 284 N -0.72 0.00 -0.04 5.25 0.11 -1.74 0.13 132.00 134.98 1g3i h PRO 284 Ca -0.06 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.85 1g3i h PRO 284 Cb 1.27 -0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.39 1g3i h PRO 284 CO 0.07 0.00 -0.77 -0.07 -0.21 0.00 0.00 178.00 177.02 1g3i h LEU 285 N 0.00 0.75 -0.03 2.35 4.07 -1.82 -0.58 115.31 120.04 1g3i h LEU 285 Ca 0.43 -0.71 0.00 0.00 0.08 0.00 0.00 57.88 57.67 1g3i h LEU 285 Cb 1.72 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.23 1g3i h LEU 285 CO -0.01 1.36 0.00 -0.37 -1.08 0.00 0.00 178.44 178.34 1g3i h VAL 286 N 0.21 0.00 0.00 1.22 -1.51 -1.30 -3.36 116.25 111.51 1g3i h VAL 286 Ca -0.08 -0.80 0.00 0.00 -1.23 0.00 0.00 66.70 64.59 1g3i h VAL 286 Cb 1.44 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 32.39 1g3i h VAL 286 CO 0.15 0.00 -0.08 -0.33 -1.23 0.00 0.00 177.57 176.09 1g3i h GLU 287 N 0.00 0.00 0.00 5.19 5.08 -0.80 -3.49 114.58 120.57 1g3i h GLU 287 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1g3i h GLU 287 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1g3i h GLU 287 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1g3i n GLY 288 N 1.82 1.99 0.58 -3.84 0.00 -0.23 -4.64 105.19 100.86 1g3i n GLY 288 Ca -0.01 0.13 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1g3i n GLY 288 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1g3i n SER 289 N 0.00 -0.16 -3.92 1.61 2.88 -1.19 -4.86 113.62 107.97 1g3i n SER 289 Ca 0.00 -1.37 -0.31 0.00 -1.33 0.00 0.00 58.87 55.86 1g3i n SER 289 Cb 0.00 0.34 -0.15 0.00 -0.75 0.00 0.00 64.21 63.65 1g3i n SER 289 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1g3i s THR 290 N -2.32 1.70 0.11 2.46 2.01 -1.26 -2.60 115.64 115.73 1g3i s THR 290 Ca 0.06 -1.78 -0.25 0.00 0.31 0.00 0.00 61.69 60.04 1g3i s THR 290 Cb 0.00 -2.17 -0.07 0.00 0.01 0.00 0.00 72.50 70.28 1g3i s THR 290 CO 0.05 -0.48 0.76 -0.69 -0.69 0.00 0.00 174.62 173.57 1g3i s VAL 291 N 1.23 4.54 -0.69 3.82 1.01 -0.95 -4.89 120.40 124.46 1g3i s VAL 291 Ca 0.06 1.65 -0.16 0.00 0.00 0.00 0.00 61.98 63.53 1g3i s VAL 291 Cb -0.18 -4.12 0.16 0.00 0.00 0.00 0.00 36.38 32.23 1g3i s VAL 291 CO -0.12 0.46 0.70 -0.94 0.00 0.00 0.00 175.10 175.19 1g3i s SER 292 N -0.67 6.44 0.70 3.32 1.04 -1.26 -1.78 113.70 121.49 1g3i s SER 292 Ca 0.37 -2.06 -0.04 0.00 0.48 0.00 0.00 55.95 54.70 1g3i s SER 292 Cb -0.22 -2.25 0.09 0.00 0.10 0.00 0.00 66.02 63.75 1g3i s SER 292 CO 0.24 -0.83 0.99 0.42 0.98 0.00 0.00 173.24 175.04 1g3i s THR 293 N 1.43 2.29 -0.06 2.02 -4.23 -0.89 -4.96 115.64 111.23 1g3i s THR 293 Ca 0.13 -0.45 0.01 0.00 -1.18 0.00 0.00 61.69 60.20 1g3i s THR 293 Cb -0.19 -2.84 0.09 0.00 1.34 0.00 0.00 72.50 70.90 1g3i s THR 293 CO -0.02 0.00 1.13 2.29 -0.54 0.00 0.00 174.62 177.48 1g3i n LYS 294 N -2.85 1.16 0.00 3.99 2.85 -1.26 -2.54 118.16 119.51 1g3i n LYS 294 Ca 0.11 -0.39 0.00 0.00 -1.05 0.00 0.00 58.31 56.98 1g3i n LYS 294 Cb 0.60 -1.15 0.00 0.00 -0.65 0.00 0.00 35.03 33.83 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 0.30 0.00 0.00 5.58 8.25 -1.26 -5.15 115.22 122.94 1g3i n HIS 295 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1g3i n HIS 295 Cb 0.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.76 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 0.36 0.97 3.66 -1.41 0.00 -1.05 -4.76 105.19 102.95 1g3i n GLY 296 Ca 0.00 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.63 4.27 -0.19 1.61 1.00 -1.26 -2.10 119.30 120.99 1g3i s MET 297 Ca 0.00 1.10 -0.02 0.00 0.00 0.00 0.00 55.69 56.77 1g3i s MET 297 Cb 0.00 -3.60 -0.01 0.00 0.00 0.00 0.00 34.83 31.22 1g3i s MET 297 CO 0.00 -0.43 -0.08 0.54 0.00 0.00 0.00 175.02 175.04 1g3i s VAL 298 N 2.52 3.15 0.78 -6.03 0.11 -0.73 -4.98 120.40 115.22 1g3i s VAL 298 Ca 0.39 -0.58 -0.11 0.00 -2.93 0.00 0.00 61.98 58.75 1g3i s VAL 298 Cb -0.16 -2.40 0.06 0.00 -1.53 0.00 0.00 36.38 32.36 1g3i s VAL 298 CO 0.10 0.47 1.10 -0.75 -3.33 0.00 0.00 175.10 172.68 1g3i s LYS 299 N 1.13 2.21 0.00 1.54 2.20 -1.26 -2.25 119.74 123.31 1g3i s LYS 299 Ca 0.01 0.63 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 1g3i s LYS 299 Cb -0.14 -1.93 0.00 0.00 -1.51 0.00 0.00 37.83 34.24 1g3i s LYS 299 CO -0.02 -1.53 0.00 0.25 -0.36 0.00 0.00 175.35 173.69 1g3i n THR 300 N -3.37 0.00 -0.08 3.43 -2.24 -1.07 -4.53 114.28 106.42 1g3i n THR 300 Ca 0.07 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.92 1g3i n THR 300 Cb 0.56 -0.62 0.12 0.00 -2.10 0.00 0.00 70.33 68.30 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 -1.71 0.05 -0.95 3.42 9.92 -1.26 0.21 116.55 126.22 1g3i n ASP 301 Ca 0.00 0.42 0.11 0.00 -0.53 0.00 0.00 54.79 54.79 1g3i n ASP 301 Cb 0.35 -0.19 0.26 0.00 -0.64 0.00 0.00 41.12 40.91 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 -3.77 0.41 -0.80 1.24 8.25 -1.26 -4.45 115.22 114.83 1g3i n HIS 302 Ca 0.08 -0.20 -0.31 0.00 -0.26 0.00 0.00 57.72 57.03 1g3i n HIS 302 Cb 0.28 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.66 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 1.10 0.00 -3.85 1.59 5.41 0.55 -4.78 119.36 119.38 1g3i n ILE 303 Ca 0.18 -0.34 -0.25 0.00 1.00 0.00 0.00 62.75 63.34 1g3i n ILE 303 Cb 0.51 -1.17 -0.17 0.00 -0.71 0.00 0.00 39.64 38.10 1g3i n ILE 303 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1g3i s LEU 304 N 0.00 0.96 -0.08 1.39 1.98 0.10 -4.68 118.68 118.35 1g3i s LEU 304 Ca 0.71 -0.24 -0.01 0.00 -2.89 0.00 0.00 54.13 51.70 1g3i s LEU 304 Cb -0.09 -0.68 -0.03 0.00 0.66 0.00 0.00 46.19 46.05 1g3i s LEU 304 CO 0.56 -0.16 -0.01 -0.36 -1.89 0.00 0.00 176.35 174.49 1g3i s PHE 305 N 1.81 3.13 -0.16 5.38 0.40 -1.26 0.09 117.98 127.37 1g3i s PHE 305 Ca 0.05 0.16 -0.02 0.00 -0.60 0.00 0.00 56.93 56.52 1g3i s PHE 305 Cb -0.13 -1.78 0.05 0.00 0.51 0.00 0.00 43.02 41.68 1g3i s PHE 305 CO -0.07 0.44 0.01 0.42 0.70 0.00 0.00 175.22 176.73 1g3i s ILE 306 N -0.86 0.60 -0.18 0.64 1.01 0.10 -1.47 121.20 121.04 1g3i s ILE 306 Ca 0.13 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.30 1g3i s ILE 306 Cb -0.11 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 1g3i s ILE 306 CO 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 174.94 174.89 1g3i s ALA 307 N 1.84 3.05 0.08 9.38 0.00 -0.31 -1.01 121.76 134.78 1g3i s ALA 307 Ca 0.00 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1g3i s ALA 307 Cb -0.16 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 1g3i s ALA 307 CO -0.07 0.06 0.22 -1.54 0.00 0.00 0.00 175.76 174.42 1g3i s SER 308 N 0.63 6.32 -0.28 0.00 1.04 -0.08 0.38 113.70 121.70 1g3i s SER 308 Ca -0.01 0.24 -0.25 0.00 0.48 0.00 0.00 55.95 56.41 1g3i s SER 308 Cb -0.14 -1.93 0.13 0.00 0.10 0.00 0.00 66.02 64.18 1g3i s SER 308 CO 0.02 0.15 1.05 -0.83 0.98 0.00 0.00 173.24 174.61 1g3i s GLY 309 N -2.63 -0.13 0.12 7.32 0.00 -0.32 -1.60 107.32 110.09 1g3i s GLY 309 Ca 0.35 2.69 0.00 0.00 0.00 0.00 0.00 44.72 47.76 1g3i s GLY 309 CO 0.28 1.81 1.27 0.00 0.00 0.00 0.00 173.10 176.46 1g3i h ALA 310 N 4.08 0.33 -6.80 3.20 0.00 -1.84 -2.13 119.26 116.09 1g3i h ALA 310 Ca -0.28 -0.81 -0.56 0.00 0.00 0.00 0.00 54.91 53.26 1g3i h ALA 310 Cb 1.18 -0.05 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 1g3i h ALA 310 CO 0.12 0.98 -0.93 1.19 0.00 0.00 0.00 179.25 180.61 1g3i n PHE 311 N -3.58 -1.45 0.01 0.00 0.99 -1.26 -4.49 117.46 107.68 1g3i n PHE 311 Ca -0.05 0.68 -0.22 0.00 -0.00 0.00 0.00 57.45 57.86 1g3i n PHE 311 Cb 0.91 -3.24 -0.14 0.00 -1.00 0.00 0.00 39.48 36.01 1g3i n PHE 311 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.76 176.20 1g3i h GLN 312 N -1.79 0.27 0.00 -1.08 3.07 -1.98 -3.43 115.11 110.17 1g3i h GLN 312 Ca -0.64 -0.46 0.00 0.00 0.09 0.00 0.00 58.65 57.64 1g3i h GLN 312 Cb 1.39 0.17 0.00 0.00 0.08 0.00 0.00 27.48 29.12 1g3i h GLN 312 CO 0.67 1.22 0.00 1.33 0.09 0.00 0.00 178.83 182.14 1g3i n VAL 313 N -3.57 0.00 -0.21 1.86 0.24 -1.26 -4.97 118.33 110.42 1g3i n VAL 313 Ca -0.31 0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1g3i n VAL 313 Cb 1.03 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 1g3i n VAL 313 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g3i n ALA 314 N -2.08 0.00 -2.98 2.33 0.00 -1.26 -5.12 120.51 111.41 1g3i n ALA 314 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1g3i n ALA 314 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1g3i n ALA 314 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1g3i s ARG 315 N -0.94 1.68 0.09 0.00 0.52 -1.26 -4.76 118.95 114.29 1g3i s ARG 315 Ca 0.00 -1.50 -0.24 0.00 -0.52 0.00 0.00 55.73 53.46 1g3i s ARG 315 Cb 0.00 0.44 -0.08 0.00 0.52 0.00 0.00 34.95 35.83 1g3i s ARG 315 CO 0.00 -0.69 1.40 -1.35 0.02 0.00 0.00 175.30 174.69 1g3i h PRO 316 N 2.23 -0.31 0.00 3.54 0.11 -2.00 -0.72 132.00 134.85 1g3i h PRO 316 Ca -0.28 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1g3i h PRO 316 Cb 1.25 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1g3i h PRO 316 CO 0.39 -0.21 0.27 -1.13 -0.21 0.00 0.00 178.00 177.11 1g3i n SER 317 N -4.67 0.14 -0.63 -2.05 3.41 -1.26 -1.64 113.62 106.93 1g3i n SER 317 Ca -0.03 0.39 0.01 0.00 -0.26 0.00 0.00 58.87 58.99 1g3i n SER 317 Cb 0.26 -0.36 0.06 0.00 -0.26 0.00 0.00 64.21 63.91 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 -1.61 1.55 -4.67 4.04 10.43 -0.28 -4.81 116.55 121.20 1g3i n ASP 318 Ca -0.00 -2.12 -0.25 0.00 2.57 0.00 0.00 54.79 54.98 1g3i n ASP 318 Cb 0.27 -0.44 -0.07 0.00 1.84 0.00 0.00 41.12 42.72 1g3i n ASP 318 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1g3i s LEU 319 N -0.56 3.31 0.32 0.64 1.43 -0.65 -3.69 118.68 119.47 1g3i s LEU 319 Ca 0.09 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.45 1g3i s LEU 319 Cb 0.06 -1.92 -0.13 0.00 0.03 0.00 0.00 46.19 44.23 1g3i s LEU 319 CO 0.03 0.06 1.31 2.30 0.23 0.00 0.00 176.35 180.28 1g3i n ILE 320 N -0.37 1.77 -0.32 -0.59 -5.35 -1.26 -4.77 119.36 108.48 1g3i n ILE 320 Ca -0.09 -0.44 0.17 0.00 -0.27 0.00 0.00 62.75 62.12 1g3i n ILE 320 Cb 0.56 -1.54 0.36 0.00 -1.74 0.00 0.00 39.64 37.28 1g3i n ILE 320 CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 1g3i h PRO 321 N 2.90 0.34 -0.09 6.28 0.11 -1.98 -1.93 132.00 137.63 1g3i h PRO 321 Ca -0.46 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.66 1g3i h PRO 321 Cb 1.28 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 1g3i h PRO 321 CO 0.65 0.22 -0.53 0.93 -0.21 0.00 0.00 178.00 179.07 1g3i h GLU 322 N 0.35 -0.58 -0.35 1.05 3.07 -2.00 -1.88 114.58 114.23 1g3i h GLU 322 Ca 0.62 0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.50 1g3i h GLU 322 Cb 1.28 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 29.31 1g3i h GLU 322 CO -0.58 -0.39 0.12 -0.07 -1.40 0.00 0.00 179.01 176.69 1g3i h LEU 323 N -0.61 0.45 -1.92 1.33 4.07 -1.72 -2.23 115.31 114.69 1g3i h LEU 323 Ca 0.03 -0.05 0.05 0.00 0.08 0.00 0.00 57.88 57.99 1g3i h LEU 323 Cb 0.69 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.31 1g3i h LEU 323 CO -0.41 0.43 0.17 1.56 -1.08 0.00 0.00 178.44 179.11 1g3i h GLN 324 N 0.50 0.10 -0.00 1.13 4.20 -0.98 -1.40 115.11 118.67 1g3i h GLN 324 Ca 0.12 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1g3i h GLN 324 Cb 0.14 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.89 1g3i h GLN 324 CO -0.01 0.07 -0.68 0.41 -0.67 0.00 0.00 178.83 177.95 1g3i n GLY 325 N -1.56 -1.05 1.12 3.46 0.00 -0.87 -3.98 105.19 102.32 1g3i n GLY 325 Ca 0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.38 1.95 -2.69 1.61 5.12 -0.57 -4.40 116.66 116.30 1g3i n ARG 326 Ca 0.05 -3.14 -0.07 0.00 -1.93 0.00 0.00 57.85 52.76 1g3i n ARG 326 Cb 0.34 -1.82 0.10 0.00 -1.16 0.00 0.00 32.46 29.92 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 -1.06 -1.01 0.26 0.55 4.77 -0.92 -4.61 117.00 114.97 1g3i n LEU 327 Ca 0.32 -3.51 0.18 0.00 -0.03 0.00 0.00 56.01 52.96 1g3i n LEU 327 Cb 1.02 0.13 0.86 0.00 -2.33 0.00 0.00 43.42 43.10 1g3i n LEU 327 CO 0.19 1.80 1.15 -0.65 -1.33 0.00 0.00 177.39 178.55 1g3i h PRO 328 N 2.24 0.00 -5.38 3.23 0.11 -1.74 -3.42 132.00 127.04 1g3i h PRO 328 Ca -0.24 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.26 1g3i h PRO 328 Cb 1.27 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.25 1g3i h PRO 328 CO 0.07 0.00 0.02 0.42 -0.21 0.00 0.00 178.00 178.30 1g3i s ILE 329 N -4.34 5.05 -0.31 4.15 1.01 -0.98 -5.03 121.20 120.74 1g3i s ILE 329 Ca -0.04 0.89 -0.02 0.00 0.00 0.00 0.00 60.65 61.47 1g3i s ILE 329 Cb 0.12 -3.86 0.05 0.00 0.01 0.00 0.00 42.46 38.79 1g3i s ILE 329 CO 0.42 0.05 0.03 -0.13 0.00 0.00 0.00 174.94 175.30 1g3i s ARG 330 N 2.36 2.40 -0.20 2.79 1.81 -1.26 -1.31 118.95 125.54 1g3i s ARG 330 Ca 0.22 -1.31 -0.05 0.00 -1.72 0.00 0.00 55.73 52.87 1g3i s ARG 330 Cb -0.16 -3.25 -0.02 0.00 -0.45 0.00 0.00 34.95 31.07 1g3i s ARG 330 CO 0.09 -0.67 -0.00 0.54 -0.68 0.00 0.00 175.30 174.58 1g3i s VAL 331 N 1.26 3.94 -0.41 3.52 0.11 -0.72 -5.00 120.40 123.09 1g3i s VAL 331 Ca -0.03 -0.32 -0.14 0.00 -2.93 0.00 0.00 61.98 58.56 1g3i s VAL 331 Cb -0.20 -2.77 0.03 0.00 -1.53 0.00 0.00 36.38 31.91 1g3i s VAL 331 CO -0.01 0.44 0.29 -0.70 -3.33 0.00 0.00 175.10 171.79 1g3i s GLU 332 N 0.93 2.92 0.80 1.54 2.12 -1.26 -0.72 118.70 125.03 1g3i s GLU 332 Ca 0.01 -1.10 -0.10 0.00 0.36 0.00 0.00 54.97 54.14 1g3i s GLU 332 Cb -0.14 -3.94 0.10 0.00 0.26 0.00 0.00 34.13 30.41 1g3i s GLU 332 CO 0.02 -0.79 1.14 -0.51 -0.54 0.00 0.00 175.26 174.58 1g3i s LEU 333 N 1.64 2.69 0.32 2.70 1.43 0.31 -4.60 118.68 123.15 1g3i s LEU 333 Ca 0.04 0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.68 1g3i s LEU 333 Cb -0.20 -2.92 -0.06 0.00 0.03 0.00 0.00 46.19 43.04 1g3i s LEU 333 CO 0.08 -1.99 -0.02 0.42 0.23 0.00 0.00 176.35 175.08 1g3i s THR 334 N -3.51 1.64 0.62 5.49 -4.23 -1.26 -4.73 115.64 109.67 1g3i s THR 334 Ca 0.64 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.96 1g3i s THR 334 Cb -0.09 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 71.09 1g3i s THR 334 CO 0.48 -0.17 1.02 0.00 -0.54 0.00 0.00 174.62 175.41 1g3i s ALA 335 N -3.00 3.09 -0.22 3.99 0.00 -1.26 -4.82 121.76 119.54 1g3i s ALA 335 Ca 0.32 -0.18 -0.21 0.00 0.00 0.00 0.00 51.96 51.89 1g3i s ALA 335 Cb 0.06 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1g3i s ALA 335 CO 0.14 -0.75 0.65 -0.51 0.00 0.00 0.00 175.76 175.29 1g3i s LEU 336 N -5.18 4.10 0.00 0.00 1.43 -1.26 -5.02 118.68 112.76 1g3i s LEU 336 Ca 0.55 0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 54.42 1g3i s LEU 336 Cb -0.11 -2.90 0.08 0.00 0.03 0.00 0.00 46.19 43.29 1g3i s LEU 336 CO 0.53 -0.33 0.54 -1.54 0.23 0.00 0.00 176.35 175.77 1g3i n SER 337 N 5.40 0.43 -0.04 2.29 3.41 -1.26 -4.93 113.62 118.92 1g3i n SER 337 Ca -0.00 -1.43 -0.11 0.00 -0.26 0.00 0.00 58.87 57.07 1g3i n SER 337 Cb 0.49 -0.38 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 1g3i n SER 337 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g3i h ALA 338 N -1.04 0.20 0.00 7.33 0.00 -1.97 -2.47 119.26 121.30 1g3i h ALA 338 Ca -0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1g3i h ALA 338 Cb 0.58 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1g3i h ALA 338 CO 0.16 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1g3i h ALA 339 N 0.91 1.00 0.00 0.00 0.00 -1.95 -2.82 119.26 116.40 1g3i h ALA 339 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1g3i h ALA 339 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1g3i h ALA 339 CO -0.00 0.00 -0.02 -0.44 0.00 0.00 0.00 179.25 178.79 1g3i h ASP 340 N 0.00 0.00 0.87 0.00 3.45 -1.80 -3.03 116.42 115.91 1g3i h ASP 340 Ca 0.00 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.36 1g3i h ASP 340 Cb 0.47 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.22 1g3i h ASP 340 CO 0.00 0.02 -1.20 -0.26 -1.57 0.00 0.00 179.24 176.23 1g3i h PHE 341 N 0.00 0.00 0.00 4.55 -1.00 -1.37 -2.41 116.94 116.70 1g3i h PHE 341 Ca -0.00 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1g3i h PHE 341 Cb 0.91 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.46 1g3i h PHE 341 CO 0.00 0.36 -0.32 1.49 -1.61 0.00 0.00 178.31 178.23 1g3i h GLU 342 N 0.00 0.00 0.00 1.51 4.81 -1.51 -2.61 114.58 116.78 1g3i h GLU 342 Ca -0.09 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.97 1g3i h GLU 342 Cb 1.36 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.71 1g3i h GLU 342 CO 0.03 0.32 -1.14 0.54 -0.73 0.00 0.00 179.01 178.04 1g3i n ARG 343 N -3.65 0.53 0.04 1.92 1.74 -1.16 -4.10 116.66 111.99 1g3i n ARG 343 Ca -0.01 0.51 0.02 0.00 -0.77 0.00 0.00 57.85 57.60 1g3i n ARG 343 Cb 0.44 -1.69 0.11 0.00 -1.02 0.00 0.00 32.46 30.30 1g3i n ARG 343 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1g3i n ILE 344 N -4.48 1.33 0.56 0.55 5.41 -0.91 -0.61 119.36 121.22 1g3i n ILE 344 Ca -0.25 0.56 0.12 0.00 1.00 0.00 0.00 62.75 64.18 1g3i n ILE 344 Cb 0.56 -1.56 0.24 0.00 -0.71 0.00 0.00 39.64 38.18 1g3i n ILE 344 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1g3i h LEU 345 N 0.00 0.00 0.00 1.39 5.85 -1.61 -3.42 115.31 117.52 1g3i h LEU 345 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1g3i h LEU 345 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1g3i h LEU 345 CO 0.00 0.06 0.00 0.35 -0.34 0.00 0.00 178.44 178.51 1g3i n THR 346 N -2.22 0.00 -0.18 1.05 -2.24 0.22 -2.83 114.28 108.08 1g3i n THR 346 Ca 0.04 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.85 1g3i n THR 346 Cb 0.44 -0.19 0.07 0.00 -2.10 0.00 0.00 70.33 68.56 1g3i n THR 346 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1g3i n GLU 347 N -2.33 -0.05 -2.05 -0.78 1.02 -1.09 -4.52 120.64 110.84 1g3i n GLU 347 Ca 0.00 0.78 -0.38 0.00 -0.02 0.00 0.00 57.16 57.54 1g3i n GLU 347 Cb 0.00 -1.17 0.01 0.00 -0.02 0.00 0.00 31.44 30.26 1g3i n GLU 347 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1g3i s PRO 348 N -5.62 3.53 0.17 3.49 0.02 -1.26 -4.96 135.00 130.36 1g3i s PRO 348 Ca -0.07 1.99 -0.31 0.00 0.02 0.00 0.00 61.00 62.63 1g3i s PRO 348 Cb 0.13 -2.38 -0.09 0.00 0.02 0.00 0.00 34.50 32.19 1g3i s PRO 348 CO 0.39 -0.80 1.40 -1.01 -0.33 0.00 0.00 177.00 176.65 1g3i s HIS 349 N -1.42 3.19 -0.03 6.54 3.76 0.26 -1.94 115.29 125.64 1g3i s HIS 349 Ca 0.66 1.00 0.00 0.00 -0.15 0.00 0.00 55.06 56.57 1g3i s HIS 349 Cb -0.34 -3.71 0.00 0.00 1.11 0.00 0.00 32.58 29.64 1g3i s HIS 349 CO 0.41 -2.42 0.00 0.00 -0.85 0.00 0.00 174.74 171.88 1g3i n ALA 350 N 3.34 -0.00 -0.92 -1.40 0.00 -1.26 -4.80 120.51 115.47 1g3i n ALA 350 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.21 1g3i n ALA 350 Cb 0.42 -0.52 0.14 0.00 0.00 0.00 0.00 19.45 19.48 1g3i n ALA 350 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1g3i n SER 351 N 1.95 0.29 -0.11 0.00 3.41 -0.82 -4.55 113.62 113.79 1g3i n SER 351 Ca -0.00 0.50 -0.05 0.00 -0.26 0.00 0.00 58.87 59.06 1g3i n SER 351 Cb 0.01 -1.45 0.03 0.00 -0.26 0.00 0.00 64.21 62.54 1g3i n SER 351 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1g3i h LEU 352 N -1.32 -0.11 -0.39 1.04 3.38 -1.81 0.30 115.31 116.40 1g3i h LEU 352 Ca -0.45 0.08 0.08 0.00 0.09 0.00 0.00 57.88 57.69 1g3i h LEU 352 Cb 1.29 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.10 1g3i h LEU 352 CO 0.43 -0.02 -0.12 0.71 0.09 0.00 0.00 178.44 179.52 1g3i h THR 353 N 0.13 0.56 -0.06 0.22 1.35 -1.87 -0.81 112.91 112.43 1g3i h THR 353 Ca 0.19 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1g3i h THR 353 Cb 0.25 0.56 -0.00 0.00 -1.73 0.00 0.00 68.15 67.23 1g3i h THR 353 CO -0.29 0.00 0.03 -0.33 -0.25 0.00 0.00 175.52 174.68 1g3i h GLU 354 N -0.03 0.08 -0.62 4.72 4.39 -1.57 -1.38 114.58 120.17 1g3i h GLU 354 Ca 0.19 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.96 1g3i h GLU 354 Cb 0.33 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.90 1g3i h GLU 354 CO -0.42 0.12 0.29 1.96 -1.16 0.00 0.00 179.01 179.80 1g3i h GLN 355 N 0.02 0.52 0.00 2.33 4.20 0.24 -1.11 115.11 121.32 1g3i h GLN 355 Ca 0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1g3i h GLN 355 Cb 0.06 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1g3i h GLN 355 CO -0.00 0.34 -0.03 1.88 -0.67 0.00 0.00 178.83 180.35 1g3i h TYR 356 N 0.53 0.00 -0.06 2.96 0.05 -1.14 -2.02 116.97 117.30 1g3i h TYR 356 Ca 0.29 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.05 1g3i h TYR 356 Cb 0.27 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 1g3i h TYR 356 CO -0.12 0.03 -0.05 -0.22 -1.05 0.00 0.00 178.16 176.76 1g3i h LYS 357 N 0.00 0.14 -0.01 4.88 3.64 -0.24 -2.57 116.57 122.41 1g3i h LYS 357 Ca -0.00 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.12 1g3i h LYS 357 Cb 0.96 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1g3i h LYS 357 CO 0.00 0.56 -0.84 0.00 -2.27 0.00 0.00 179.45 176.90 1g3i h ALA 358 N 0.57 0.55 0.00 5.00 0.00 -1.28 -2.31 119.26 121.80 1g3i h ALA 358 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1g3i h ALA 358 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1g3i h ALA 358 CO 0.01 0.88 0.00 1.28 0.00 0.00 0.00 179.25 181.43 1g3i n LEU 359 N -3.69 0.57 -0.38 0.00 4.77 -0.76 -2.66 117.00 114.84 1g3i n LEU 359 Ca -0.04 0.60 0.07 0.00 -0.03 0.00 0.00 56.01 56.61 1g3i n LEU 359 Cb 0.78 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1g3i n LEU 359 CO 0.48 -0.35 0.31 0.23 -1.33 0.00 0.00 177.39 176.73 1g3i n MET 360 N -2.08 1.57 -0.02 3.23 2.81 -0.97 -4.34 117.12 117.32 1g3i n MET 360 Ca 0.04 -0.90 -0.10 0.00 -1.81 0.00 0.00 57.70 54.92 1g3i n MET 360 Cb 0.30 -1.21 -0.14 0.00 -0.71 0.00 0.00 33.22 31.46 1g3i n MET 360 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1g3i n ALA 361 N 0.12 1.41 1.00 3.04 0.00 -0.88 -2.70 120.51 122.51 1g3i n ALA 361 Ca 0.06 -0.77 0.03 0.00 0.00 0.00 0.00 53.44 52.76 1g3i n ALA 361 Cb 0.30 -0.80 0.15 0.00 0.00 0.00 0.00 19.45 19.10 1g3i n ALA 361 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1g3i n THR 362 N -3.09 0.00 0.35 0.00 -1.04 -1.14 -0.25 114.28 109.11 1g3i n THR 362 Ca -0.20 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.85 1g3i n THR 362 Cb 1.06 -0.41 -0.05 0.00 -1.82 0.00 0.00 70.33 69.11 1g3i n THR 362 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1g3i n GLU 363 N -0.66 3.86 -0.21 -2.82 -0.58 -1.24 -4.98 120.64 114.02 1g3i n GLU 363 Ca 0.04 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1g3i n GLU 363 Cb 0.02 -0.92 0.00 0.00 -0.57 0.00 0.00 31.44 29.97 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 1.28 0.89 3.51 0.62 0.00 0.66 -4.71 105.19 107.44 1g3i n GLY 364 Ca 0.01 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 2.96 0.01 1.61 1.01 -1.10 -0.02 120.40 122.88 1g3i s VAL 365 Ca 0.00 -1.54 0.06 0.00 0.00 0.00 0.00 61.98 60.50 1g3i s VAL 365 Cb 0.00 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1g3i s VAL 365 CO 0.00 0.04 -0.15 0.21 0.00 0.00 0.00 175.10 175.20 1g3i s ASN 366 N -2.33 3.99 -0.06 3.32 3.04 0.13 -3.47 114.94 119.56 1g3i s ASN 366 Ca 0.20 -0.33 0.01 0.00 0.04 0.00 0.00 52.86 52.78 1g3i s ASN 366 Cb -0.10 -0.74 0.02 0.00 -1.54 0.00 0.00 41.25 38.89 1g3i s ASN 366 CO 0.12 0.28 -0.06 0.27 -3.04 0.00 0.00 177.10 174.67 1g3i s ILE 367 N -0.89 0.72 -0.25 -5.21 -4.36 -1.26 -2.95 121.20 107.00 1g3i s ILE 367 Ca 0.14 -0.19 -0.10 0.00 -0.26 0.00 0.00 60.65 60.24 1g3i s ILE 367 Cb -0.11 -0.73 -0.04 0.00 1.25 0.00 0.00 42.46 42.83 1g3i s ILE 367 CO 0.05 0.28 0.14 0.00 0.24 0.00 0.00 174.94 175.64 1g3i s ALA 368 N 1.10 3.46 -0.82 2.27 0.00 -0.89 -4.99 121.76 121.89 1g3i s ALA 368 Ca -0.08 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 1g3i s ALA 368 Cb -0.14 -2.26 0.21 0.00 0.00 0.00 0.00 23.12 20.92 1g3i s ALA 368 CO -0.01 -0.31 0.70 -0.06 0.00 0.00 0.00 175.76 176.08 1g3i s PHE 369 N 1.29 3.75 0.80 0.00 2.99 -1.26 0.21 117.98 125.77 1g3i s PHE 369 Ca 0.06 -2.73 -0.14 0.00 0.00 0.00 0.00 56.93 54.13 1g3i s PHE 369 Cb -0.14 -3.38 0.07 0.00 0.00 0.00 0.00 43.02 39.56 1g3i s PHE 369 CO 0.06 -0.83 1.10 -2.37 -0.00 0.00 0.00 175.22 173.17 1g3i n THR 370 N 3.00 2.00 -0.12 0.64 5.66 -1.10 -4.89 114.28 119.48 1g3i n THR 370 Ca 0.16 -0.23 -0.13 0.00 -3.05 0.00 0.00 64.05 60.80 1g3i n THR 370 Cb 0.39 -1.13 -0.01 0.00 -1.55 0.00 0.00 70.33 68.02 1g3i n THR 370 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1g3i h THR 371 N -0.85 1.27 0.00 1.09 1.35 -1.98 -2.68 112.91 111.12 1g3i h THR 371 Ca -0.46 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 1g3i h THR 371 Cb 1.30 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1g3i h THR 371 CO 0.45 0.52 0.00 -0.90 -0.25 0.00 0.00 175.52 175.34 1g3i n ASP 372 N -4.06 0.00 -0.13 5.36 3.85 -1.26 -1.80 116.55 118.51 1g3i n ASP 372 Ca -0.02 -0.39 0.02 0.00 -0.71 0.00 0.00 54.79 53.68 1g3i n ASP 372 Cb 0.54 -0.03 0.01 0.00 -1.35 0.00 0.00 41.12 40.29 1g3i n ASP 372 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1g3i n ALA 373 N -1.03 2.49 0.08 2.12 0.00 -1.03 -4.38 120.51 118.76 1g3i n ALA 373 Ca 0.10 -0.45 0.04 0.00 0.00 0.00 0.00 53.44 53.13 1g3i n ALA 373 Cb 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 1g3i n ALA 373 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1g3i h VAL 374 N 0.63 0.39 0.05 0.00 2.07 -1.18 -3.30 116.25 114.90 1g3i h VAL 374 Ca 0.00 -1.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 1g3i h VAL 374 Cb 0.15 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1g3i h VAL 374 CO 0.00 0.22 -0.02 0.11 0.02 0.00 0.00 177.57 177.89 1g3i h LYS 375 N 0.00 -0.07 -1.15 1.57 1.57 -1.77 -1.35 116.57 115.37 1g3i h LYS 375 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1g3i h LYS 375 Cb 1.36 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1g3i h LYS 375 CO 0.03 0.41 0.00 1.63 -0.57 0.00 0.00 179.45 180.95 1g3i n LYS 376 N -4.89 0.78 0.00 3.15 5.02 -1.25 0.70 118.16 121.68 1g3i n LYS 376 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1g3i n LYS 376 Cb 0.26 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1g3i n LYS 376 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1g3i n ILE 377 N 0.53 0.00 -0.06 -0.18 5.41 -1.13 -4.53 119.36 119.40 1g3i n ILE 377 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 1g3i n ILE 377 Cb 0.36 0.01 -0.14 0.00 -0.71 0.00 0.00 39.64 39.16 1g3i n ILE 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1g3i n ALA 378 N -0.08 1.98 0.57 -1.39 0.00 -0.52 -3.81 120.51 117.25 1g3i n ALA 378 Ca 0.00 -0.86 0.12 0.00 0.00 0.00 0.00 53.44 52.70 1g3i n ALA 378 Cb 0.00 -0.29 0.14 0.00 0.00 0.00 0.00 19.45 19.30 1g3i n ALA 378 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1g3i n GLU 379 N -2.44 0.29 -0.07 0.00 2.13 0.22 -2.99 120.64 117.79 1g3i n GLU 379 Ca -0.19 0.07 0.12 0.00 0.66 0.00 0.00 57.16 57.82 1g3i n GLU 379 Cb 0.84 -1.67 0.24 0.00 0.27 0.00 0.00 31.44 31.11 1g3i n GLU 379 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1g3i n ALA 380 N -1.83 2.47 0.08 4.31 0.00 -1.26 -2.06 120.51 122.23 1g3i n ALA 380 Ca 0.03 -0.72 0.06 0.00 0.00 0.00 0.00 53.44 52.81 1g3i n ALA 380 Cb 0.44 -0.92 -0.08 0.00 0.00 0.00 0.00 19.45 18.89 1g3i n ALA 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g3i n ALA 381 N 1.08 2.58 -0.02 0.00 0.00 -1.22 -4.21 120.51 118.72 1g3i n ALA 381 Ca 0.17 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 1g3i n ALA 381 Cb 0.53 -0.38 -0.13 0.00 0.00 0.00 0.00 19.45 19.46 1g3i n ALA 381 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1g3i h PHE 382 N 0.00 0.35 0.00 0.00 3.57 -1.61 -3.23 116.94 116.02 1g3i h PHE 382 Ca 0.00 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1g3i h PHE 382 Cb 0.47 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.19 1g3i h PHE 382 CO 0.00 1.69 0.07 -2.13 -2.23 0.00 0.00 178.31 175.71 1g3i n ARG 383 N -3.78 0.06 -0.09 1.11 3.00 -0.87 -0.64 116.66 115.44 1g3i n ARG 383 Ca -0.32 0.53 -0.08 0.00 -0.00 0.00 0.00 57.85 57.98 1g3i n ARG 383 Cb 0.94 -1.76 -0.16 0.00 0.00 0.00 0.00 32.46 31.48 1g3i n ARG 383 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1g3i n VAL 384 N -1.80 1.28 0.35 5.15 0.31 -1.24 -4.29 118.33 118.08 1g3i n VAL 384 Ca -0.01 -0.83 0.13 0.00 -0.01 0.00 0.00 64.34 63.62 1g3i n VAL 384 Cb 0.08 -0.43 0.28 0.00 -0.91 0.00 0.00 33.84 32.86 1g3i n VAL 384 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1g3i h ASN 385 N 0.00 0.00 -0.17 4.52 -0.26 -0.89 -3.01 115.58 115.77 1g3i h ASN 385 Ca -0.50 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.24 1g3i h ASN 385 Cb 2.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.40 1g3i h ASN 385 CO 0.03 0.00 0.00 1.21 -1.06 0.00 0.00 177.43 177.61 1g3i n GLU 386 N -2.83 1.82 -0.78 0.81 2.13 -0.90 -3.92 120.64 116.97 1g3i n GLU 386 Ca 0.04 -1.23 0.03 0.00 0.66 0.00 0.00 57.16 56.67 1g3i n GLU 386 Cb 0.48 -1.42 0.05 0.00 0.27 0.00 0.00 31.44 30.82 1g3i n GLU 386 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1g3i n LYS 387 N 0.46 0.35 -3.11 5.31 5.02 -1.15 -5.09 118.16 119.96 1g3i n LYS 387 Ca 0.17 -1.80 0.00 0.00 -2.02 0.00 0.00 58.31 54.66 1g3i n LYS 387 Cb 0.37 -0.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 1g3i n LYS 387 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1g3i n THR 388 N -0.15 0.00 -1.72 -0.18 -2.24 -1.18 -4.78 114.28 104.03 1g3i n THR 388 Ca 0.06 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.41 1g3i n THR 388 Cb 0.84 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 1g3i n THR 388 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1g3i n GLU 389 N 0.00 2.43 -3.14 -0.78 4.71 -1.26 -4.73 120.64 117.88 1g3i n GLU 389 Ca 0.00 0.86 -0.44 0.00 -0.01 0.00 0.00 57.16 57.57 1g3i n GLU 389 Cb 0.00 -2.59 0.00 0.00 -1.01 0.00 0.00 31.44 27.84 1g3i n GLU 389 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1g3i n ASN 390 N 2.12 5.56 0.00 1.62 4.05 -1.25 -4.55 115.26 122.81 1g3i n ASN 390 Ca 0.10 -3.08 0.08 0.00 0.45 0.00 0.00 54.58 52.12 1g3i n ASN 390 Cb 0.35 -1.42 0.43 0.00 1.23 0.00 0.00 39.78 40.37 1g3i n ASN 390 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1g3i n ILE 391 N 2.98 0.34 -4.11 -1.44 -5.35 -1.26 -4.63 119.36 105.88 1g3i n ILE 391 Ca 0.28 0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.85 1g3i n ILE 391 Cb 0.39 -0.82 0.00 0.00 -1.74 0.00 0.00 39.64 37.46 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 0.05 0.07 0.27 3.28 0.00 -1.20 -3.97 105.19 103.69 1g3i n GLY 392 Ca 0.09 -0.99 0.03 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.11 0.60 -0.02 4.61 0.00 -1.86 0.11 119.26 122.59 1g3i h ALA 393 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1g3i h ALA 393 Cb 0.00 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1g3i h ALA 393 CO 0.00 -0.42 0.76 0.00 0.00 0.00 0.00 179.25 179.59 1g3i h ARG 394 N 0.04 0.00 -0.59 0.00 3.08 -1.85 1.17 114.38 116.23 1g3i h ARG 394 Ca 0.37 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.37 1g3i h ARG 394 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1g3i h ARG 394 CO -0.71 0.00 0.16 -0.09 -1.07 0.00 0.00 179.97 178.27 1g3i h ARG 395 N 0.00 0.93 -0.34 0.04 9.65 -1.01 -2.90 114.38 120.75 1g3i h ARG 395 Ca 0.01 -0.21 0.07 0.00 -1.10 0.00 0.00 59.98 58.75 1g3i h ARG 395 Cb 1.53 -0.13 -0.07 0.00 -1.39 0.00 0.00 29.97 29.91 1g3i h ARG 395 CO -0.00 0.85 -0.15 -0.07 2.80 0.00 0.00 179.97 183.40 1g3i h LEU 396 N 0.84 -0.51 -0.41 3.80 3.38 0.13 -0.97 115.31 121.57 1g3i h LEU 396 Ca 0.19 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.36 1g3i h LEU 396 Cb 0.32 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 1g3i h LEU 396 CO -0.00 -0.18 -0.36 0.45 0.09 0.00 0.00 178.44 178.44 1g3i h HIS 397 N -0.09 -1.00 0.00 1.13 3.86 -1.60 0.32 115.15 117.77 1g3i h HIS 397 Ca 0.17 0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1g3i h HIS 397 Cb 0.35 0.50 -0.00 0.00 1.06 0.00 0.00 27.41 29.32 1g3i h HIS 397 CO -0.37 -0.40 -0.02 1.79 0.86 0.00 0.00 177.93 179.79 1g3i h THR 398 N -0.27 0.77 0.06 2.45 1.35 -1.36 -1.41 112.91 114.50 1g3i h THR 398 Ca 0.17 -0.07 -0.00 0.00 -0.55 0.00 0.00 66.41 65.96 1g3i h THR 398 Cb 0.55 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1g3i h THR 398 CO -0.56 0.02 -0.03 0.58 -0.25 0.00 0.00 175.52 175.28 1g3i h VAL 399 N 0.00 1.27 -0.27 6.82 2.07 0.85 -3.20 116.25 123.80 1g3i h VAL 399 Ca -0.00 -1.40 0.02 0.00 0.82 0.00 0.00 66.70 66.14 1g3i h VAL 399 Cb 0.04 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1g3i h VAL 399 CO 0.00 0.33 0.12 0.24 0.02 0.00 0.00 177.57 178.29 1g3i h MET 400 N -0.73 0.26 -1.05 1.57 2.86 -0.50 -1.91 114.93 115.42 1g3i h MET 400 Ca -0.01 -0.02 0.28 0.00 -2.06 0.00 0.00 59.70 57.90 1g3i h MET 400 Cb 0.61 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.14 1g3i h MET 400 CO 0.01 0.17 0.72 1.49 1.06 0.00 0.00 176.91 180.36 1g3i h GLU 401 N 0.27 0.19 0.05 1.72 4.57 -1.36 0.99 114.58 121.01 1g3i h GLU 401 Ca 0.11 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 58.05 1g3i h GLU 401 Cb 0.05 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 1g3i h GLU 401 CO -0.09 0.13 -1.06 -0.09 -1.18 0.00 0.00 179.01 176.72 1g3i h ARG 402 N 0.20 0.15 0.02 1.92 9.65 -1.36 -3.06 114.38 121.90 1g3i h ARG 402 Ca 0.54 -0.22 -0.00 0.00 -1.10 0.00 0.00 59.98 59.20 1g3i h ARG 402 Cb 1.76 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 30.42 1g3i h ARG 402 CO -0.14 1.07 -0.01 1.25 2.80 0.00 0.00 179.97 184.93 1g3i h LEU 403 N 0.05 -0.03 -1.65 3.80 5.85 0.14 -3.11 115.31 120.36 1g3i h LEU 403 Ca -0.06 -0.52 -0.02 0.00 0.84 0.00 0.00 57.88 58.12 1g3i h LEU 403 Cb 1.78 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.81 1g3i h LEU 403 CO 0.16 0.51 0.02 0.23 -0.34 0.00 0.00 178.44 179.02 1g3i n MET 404 N -4.85 1.63 0.17 1.25 0.00 0.13 -3.76 117.12 111.69 1g3i n MET 404 Ca -0.09 -0.58 0.07 0.00 0.00 0.00 0.00 57.70 57.11 1g3i n MET 404 Cb 0.27 -1.56 0.08 0.00 0.00 0.00 0.00 33.22 32.02 1g3i n MET 404 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 175.97 176.19 1g3i h ASP 405 N 0.63 0.00 0.25 7.83 -0.00 -1.46 -1.95 116.42 121.72 1g3i h ASP 405 Ca 0.02 0.00 -0.34 0.00 -0.00 0.00 0.00 57.03 56.71 1g3i h ASP 405 Cb 0.89 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.19 1g3i h ASP 405 CO 0.11 0.25 -1.91 1.17 -0.00 0.00 0.00 179.24 178.86 1g3i n LYS 406 N -3.13 0.71 -0.05 0.28 0.00 -1.25 -4.40 118.16 110.33 1g3i n LYS 406 Ca 0.02 0.27 -0.18 0.00 0.00 0.00 0.00 58.31 58.42 1g3i n LYS 406 Cb 0.64 -1.73 -0.13 0.00 0.00 0.00 0.00 35.03 33.81 1g3i n LYS 406 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.40 178.37 1g3i h ILE 407 N 0.04 1.38 0.00 3.15 2.10 -1.80 -3.35 117.51 119.04 1g3i h ILE 407 Ca -0.38 -2.33 0.00 0.00 1.08 0.00 0.00 64.86 63.23 1g3i h ILE 407 Cb 2.03 2.92 0.00 0.00 -1.09 0.00 0.00 36.82 40.68 1g3i h ILE 407 CO 0.08 0.56 0.26 -1.28 -1.08 0.00 0.00 178.15 176.69 1g3i h SER 408 N -0.80 0.00 0.01 2.19 0.87 -1.59 -2.67 113.55 111.57 1g3i h SER 408 Ca -0.17 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.18 1g3i h SER 408 Cb 1.30 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.23 1g3i h SER 408 CO -0.03 0.00 -1.15 0.15 -0.53 0.00 0.00 176.83 175.27 1g3i h PHE 409 N 0.00 0.04 -2.27 2.24 3.57 -1.77 -3.41 116.94 115.34 1g3i h PHE 409 Ca 0.00 -0.03 -0.74 0.00 3.53 0.00 0.00 57.97 60.73 1g3i h PHE 409 Cb 0.52 -0.00 -0.32 0.00 2.79 0.00 0.00 35.95 38.94 1g3i h PHE 409 CO 0.00 1.45 0.47 -1.13 -2.23 0.00 0.00 178.31 176.88 1g3i n SER 410 N -4.39 6.39 -0.02 0.41 3.41 -1.01 -4.54 113.62 113.87 1g3i n SER 410 Ca -0.29 -3.69 0.08 0.00 -0.26 0.00 0.00 58.87 54.72 1g3i n SER 410 Cb 0.68 -0.97 -0.15 0.00 -0.26 0.00 0.00 64.21 63.51 1g3i n SER 410 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g3i n ALA 411 N -0.10 2.64 0.03 7.33 0.00 -1.17 -4.12 120.51 125.12 1g3i n ALA 411 Ca 0.41 -0.54 -0.08 0.00 0.00 0.00 0.00 53.44 53.24 1g3i n ALA 411 Cb 0.30 -0.64 -0.06 0.00 0.00 0.00 0.00 19.45 19.05 1g3i n ALA 411 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1g3i h SER 412 N 0.00 -0.15 0.00 0.00 0.02 -1.89 -3.25 113.55 108.28 1g3i h SER 412 Ca -0.04 -0.30 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1g3i h SER 412 Cb 1.02 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1g3i h SER 412 CO 0.00 0.44 0.00 0.47 -1.14 0.00 0.00 176.83 176.61 1g3i n ASP 413 N -4.87 0.00 -3.29 3.07 10.43 -1.26 -3.47 116.55 117.17 1g3i n ASP 413 Ca -0.06 -0.61 -0.25 0.00 2.57 0.00 0.00 54.79 56.44 1g3i n ASP 413 Cb 0.22 0.00 -0.08 0.00 1.84 0.00 0.00 41.12 43.10 1g3i n ASP 413 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36 1g3i n MET 414 N -0.88 0.42 -3.55 -1.24 2.81 -1.23 -5.13 117.12 108.33 1g3i n MET 414 Ca 0.09 -3.15 -0.35 0.00 -1.81 0.00 0.00 57.70 52.48 1g3i n MET 414 Cb 0.04 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.02 1g3i n MET 414 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1g3i s ASN 415 N -0.47 6.68 -0.77 7.83 2.47 -1.23 -4.52 114.94 124.93 1g3i s ASN 415 Ca 0.34 0.83 -0.04 0.00 0.42 0.00 0.00 52.86 54.41 1g3i s ASN 415 Cb 0.10 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 1g3i s ASN 415 CO -0.16 0.19 0.67 0.61 -3.72 0.00 0.00 177.10 174.69 1g3i n GLY 416 N 1.01 0.06 3.36 1.21 0.00 0.97 -4.99 105.19 106.82 1g3i n GLY 416 Ca -0.09 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 1g3i n GLY 416 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g3i s GLN 417 N -5.58 1.32 -0.38 1.61 -0.21 -1.25 -4.98 119.66 110.19 1g3i s GLN 417 Ca 0.28 -1.32 0.03 0.00 0.02 0.00 0.00 55.36 54.37 1g3i s GLN 417 Cb -0.12 -1.71 0.11 0.00 1.00 0.00 0.00 33.01 32.29 1g3i s GLN 417 CO 0.42 0.40 0.11 0.99 -2.12 0.00 0.00 175.29 175.08 1g3i s THR 418 N -1.22 2.50 -0.13 -0.19 2.01 -1.26 -0.69 115.64 116.65 1g3i s THR 418 Ca 0.13 -2.44 -0.05 0.00 0.31 0.00 0.00 61.69 59.64 1g3i s THR 418 Cb -0.09 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 69.58 1g3i s THR 418 CO 0.06 -0.64 0.05 -0.69 -0.69 0.00 0.00 174.62 172.71 1g3i s VAL 419 N 0.77 4.74 -0.15 3.82 1.01 -1.15 -5.00 120.40 124.44 1g3i s VAL 419 Ca 0.11 -0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 1g3i s VAL 419 Cb -0.20 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1g3i s VAL 419 CO -0.06 0.55 0.70 0.20 0.00 0.00 0.00 175.10 176.49 1g3i s ASN 420 N -0.42 6.84 -0.53 3.32 0.01 -1.26 -2.09 114.94 120.80 1g3i s ASN 420 Ca 0.09 1.02 -0.15 0.00 -0.71 0.00 0.00 52.86 53.11 1g3i s ASN 420 Cb -0.12 -2.39 0.13 0.00 0.41 0.00 0.00 41.25 39.28 1g3i s ASN 420 CO 0.02 -0.26 0.48 -0.63 -1.51 0.00 0.00 177.10 175.20 1g3i s ILE 421 N 1.66 5.09 0.00 0.60 1.01 0.13 -4.91 121.20 124.78 1g3i s ILE 421 Ca 0.34 -1.54 0.00 0.00 0.00 0.00 0.00 60.65 59.45 1g3i s ILE 421 Cb -0.16 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1g3i s ILE 421 CO 0.13 -0.86 0.00 -0.90 0.00 0.00 0.00 174.94 173.31 1g3i n ASP 422 N 5.21 1.67 -0.01 3.58 3.85 -1.26 -2.69 116.55 126.90 1g3i n ASP 422 Ca -0.13 -0.65 -0.05 0.00 -0.71 0.00 0.00 54.79 53.25 1g3i n ASP 422 Cb 0.40 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.14 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 1.00 -0.56 -0.08 2.12 0.00 -1.90 0.38 119.26 120.23 1g3i h ALA 423 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1g3i h ALA 423 Cb 0.00 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1g3i h ALA 423 CO 0.00 -0.62 0.25 0.00 0.00 0.00 0.00 179.25 178.87 1g3i h ALA 424 N -1.06 1.43 0.10 0.00 0.00 -1.97 -2.13 119.26 115.62 1g3i h ALA 424 Ca 0.01 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.66 1g3i h ALA 424 Cb 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1g3i h ALA 424 CO -0.14 -0.28 -1.34 -0.92 0.00 0.00 0.00 179.25 176.57 1g3i h TYR 425 N 0.00 0.37 -0.75 0.00 5.03 -1.68 -3.23 116.97 116.71 1g3i h TYR 425 Ca 0.04 -0.27 0.01 0.00 2.58 0.00 0.00 58.73 61.09 1g3i h TYR 425 Cb 0.53 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.75 1g3i h TYR 425 CO 0.00 1.52 0.50 0.28 -1.32 0.00 0.00 178.16 179.14 1g3i h VAL 426 N -0.41 1.19 0.21 1.81 2.07 -0.47 -3.00 116.25 117.66 1g3i h VAL 426 Ca -0.30 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1g3i h VAL 426 Cb 1.67 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1g3i h VAL 426 CO 0.03 0.19 -0.16 0.00 0.02 0.00 0.00 177.57 177.64 1g3i h ALA 427 N 1.28 -0.95 0.00 1.67 0.00 -1.55 -2.47 119.26 117.23 1g3i h ALA 427 Ca 0.28 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1g3i h ALA 427 Cb -0.12 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1g3i h ALA 427 CO -0.06 -0.95 0.00 -3.47 0.00 0.00 0.00 179.25 174.77 1g3i n ASP 428 N -3.28 2.59 -0.04 0.00 -0.08 -1.21 -2.99 116.55 111.54 1g3i n ASP 428 Ca -0.04 -1.56 -0.07 0.00 -1.51 0.00 0.00 54.79 51.61 1g3i n ASP 428 Cb 0.16 -0.51 -0.03 0.00 2.34 0.00 0.00 41.12 43.08 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 1.20 2.12 -0.14 -1.67 0.00 -0.93 -4.96 120.51 116.12 1g3i n ALA 429 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1g3i n ALA 429 Cb 0.31 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.11 1g3i n ALA 429 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1g3i n LEU 430 N -3.02 0.00 0.00 0.00 -0.00 -1.16 -4.85 117.00 107.97 1g3i n LEU 430 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.86 1g3i n LEU 430 Cb 0.63 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.72 1g3i n LEU 430 CO 0.05 -0.43 0.00 0.61 -0.00 0.00 0.00 177.39 177.62 1g3i n GLY 431 N 2.07 0.76 3.74 1.47 0.00 -1.24 -5.12 105.19 106.88 1g3i n GLY 431 Ca 0.00 -0.60 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 1g3i n GLY 431 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1g3i s GLU 432 N 0.00 2.54 -0.29 1.61 4.04 -1.26 -5.04 118.70 120.30 1g3i s GLU 432 Ca 0.00 -1.34 -0.02 0.00 0.04 0.00 0.00 54.97 53.64 1g3i s GLU 432 Cb 0.00 -2.31 0.12 0.00 0.02 0.00 0.00 34.13 31.95 1g3i s GLU 432 CO 0.00 0.27 0.20 0.08 -1.84 0.00 0.00 175.26 173.97 1g3i s VAL 433 N -2.30 -0.21 -0.04 1.83 1.01 -1.26 -5.13 120.40 114.30 1g3i s VAL 433 Ca 0.35 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1g3i s VAL 433 Cb -0.06 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.34 1g3i s VAL 433 CO 0.23 -0.62 -0.15 -0.69 0.00 0.00 0.00 175.10 173.87 1g3i s VAL 434 N 2.18 1.23 0.72 2.92 1.01 -1.26 -5.15 120.40 122.06 1g3i s VAL 434 Ca 0.09 -0.61 -0.10 0.00 0.00 0.00 0.00 61.98 61.37 1g3i s VAL 434 Cb -0.15 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.20 1g3i s VAL 434 CO -0.34 0.36 1.08 -0.70 0.00 0.00 0.00 175.10 175.50 1g3i s GLU 435 N 0.09 2.48 0.05 2.72 2.12 -1.26 -4.97 118.70 119.93 1g3i s GLU 435 Ca -0.04 0.17 -0.38 0.00 0.36 0.00 0.00 54.97 55.09 1g3i s GLU 435 Cb -0.11 -2.06 -0.19 0.00 0.26 0.00 0.00 34.13 32.04 1g3i s GLU 435 CO 0.02 -1.20 1.04 -1.71 -0.54 0.00 0.00 175.26 172.86 1g3i n ASN 436 N -3.03 0.12 -3.34 -1.70 2.85 -1.26 -4.78 115.26 104.12 1g3i n ASN 436 Ca 0.07 1.15 -0.39 0.00 -0.11 0.00 0.00 54.58 55.30 1g3i n ASN 436 Cb 0.59 -0.98 -0.03 0.00 1.24 0.00 0.00 39.78 40.60 1g3i n ASN 436 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1g3i n GLU 437 N 1.58 3.70 -0.12 1.20 4.07 -1.26 -4.72 120.64 125.09 1g3i n GLU 437 Ca 0.19 -2.27 -0.13 0.00 -0.06 0.00 0.00 57.16 54.89 1g3i n GLU 437 Cb 0.13 -2.82 -0.09 0.00 -0.06 0.00 0.00 31.44 28.60 1g3i n GLU 437 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1g3i h ASP 438 N 5.03 -1.75 -0.10 4.31 1.82 -2.00 -3.20 116.42 120.53 1g3i h ASP 438 Ca 0.86 0.23 0.02 0.00 -0.39 0.00 0.00 57.03 57.74 1g3i h ASP 438 Cb 0.30 0.71 -0.04 0.00 0.68 0.00 0.00 39.33 40.98 1g3i h ASP 438 CO 1.78 -0.39 -0.32 0.17 -1.61 0.00 0.00 179.24 178.87 1g3i h LEU 439 N -0.40 -1.02 -0.03 2.28 -0.00 -1.93 -1.00 115.31 113.21 1g3i h LEU 439 Ca 0.06 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.07 1g3i h LEU 439 Cb 0.57 0.40 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 1g3i h LEU 439 CO -0.55 -0.27 0.88 0.28 -0.00 0.00 0.00 178.44 178.78 1g3i h SER 440 N -0.32 0.00 0.00 0.17 0.02 -1.87 -3.19 113.55 108.35 1g3i h SER 440 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1g3i h SER 440 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1g3i h SER 440 CO -0.27 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 175.96 1g3i n ARG 441 N -2.20 0.00 0.00 3.45 5.12 -0.38 -4.87 116.66 117.78 1g3i n ARG 441 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1g3i n ARG 441 Cb 0.88 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.18 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 0.00 0.00 -3.89 -1.55 3.72 -1.19 -4.59 117.46 109.97 1g3i n PHE 442 Ca 0.00 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 1g3i n PHE 442 Cb 0.00 -0.12 -0.16 0.00 -0.94 0.00 0.00 39.48 38.26 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 1.08 1.13 -2.70 4.37 -1.09 -1.20 -5.00 121.20 117.78 1g3i s ILE 443 Ca 0.00 -0.67 0.26 0.00 -2.23 0.00 0.00 60.65 58.01 1g3i s ILE 443 Cb 0.00 -1.32 0.41 0.00 -1.58 0.00 0.00 42.46 39.97 1g3i s ILE 443 CO 0.00 0.11 1.55 -0.11 -1.23 0.00 0.00 174.94 175.26