#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 1.17 0.00 1.43 2.56 -1.26 -5.18 118.70 117.42 1g3i s GLU 3 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.97 53.86 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 -0.44 0.00 -1.33 -0.56 0.00 0.00 175.26 172.93 1g3i n MET 4 N -0.23 0.62 -4.18 4.30 2.81 -1.26 -5.11 117.12 114.07 1g3i n MET 4 Ca -0.08 0.00 -0.19 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 -0.24 1.12 0.09 2.03 -1.32 -1.26 -4.98 115.64 111.08 1g3i s THR 5 Ca 0.00 -1.29 -0.29 0.00 -1.21 0.00 0.00 61.69 58.90 1g3i s THR 5 Cb 0.00 -1.07 -0.15 0.00 -1.51 0.00 0.00 72.50 69.77 1g3i s THR 5 CO 0.00 -0.21 1.65 1.55 -2.21 0.00 0.00 174.62 175.41 1g3i h PRO 6 N 4.33 -0.56 -1.63 7.08 0.13 -1.98 0.30 132.00 139.67 1g3i h PRO 6 Ca -0.41 0.04 0.47 0.00 -0.87 0.00 0.00 66.00 65.23 1g3i h PRO 6 Cb 1.19 0.13 -0.07 0.00 0.13 0.00 0.00 31.00 32.38 1g3i h PRO 6 CO 0.40 -0.37 1.31 -0.09 -0.23 0.00 0.00 178.00 179.02 1g3i h ARG 7 N -0.58 0.00 0.01 0.86 9.65 -1.99 0.49 114.38 122.83 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 0.49 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.01 1g3i h ARG 7 CO 0.02 0.00 -2.40 0.39 2.80 0.00 0.00 179.97 180.78 1g3i n GLU 8 N -3.75 0.67 -0.32 0.20 1.02 -0.95 -4.24 120.64 113.27 1g3i n GLU 8 Ca 0.37 0.12 0.16 0.00 -0.02 0.00 0.00 57.16 57.79 1g3i n GLU 8 Cb 1.80 -1.54 0.40 0.00 -0.02 0.00 0.00 31.44 32.08 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 0.21 -1.28 117.51 115.54 1g3i h ILE 9 Ca -0.55 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1g3i h ILE 9 Cb 2.00 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1g3i h ILE 9 CO -0.04 0.11 -0.07 0.58 0.00 0.00 0.00 178.15 178.74 1g3i h VAL 10 N 0.62 0.00 -0.20 1.67 2.07 -1.48 -2.08 116.25 116.85 1g3i h VAL 10 Ca 0.55 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.13 1g3i h VAL 10 Cb 1.05 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1g3i h VAL 10 CO -0.32 0.00 0.52 0.28 0.02 0.00 0.00 177.57 178.07 1g3i h SER 11 N -0.12 0.00 1.23 0.57 0.02 -1.46 0.55 113.55 114.33 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 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1g3i h SER 11 CO -0.02 0.00 -0.60 -0.08 -1.14 0.00 0.00 176.83 174.99 1g3i h GLU 12 N 0.00 0.00 0.00 3.45 4.81 -0.76 -3.26 114.58 118.82 1g3i h GLU 12 Ca 0.09 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 1g3i h GLU 12 Cb 1.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 1g3i h GLU 12 CO -0.00 0.00 -1.35 1.28 -0.73 0.00 0.00 179.01 178.21 1g3i n LEU 13 N -2.60 0.85 -0.46 1.64 4.77 0.18 -4.05 117.00 117.32 1g3i n LEU 13 Ca 0.02 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1g3i n LEU 13 Cb 0.51 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1g3i n LEU 13 CO 0.37 0.08 0.10 0.47 -1.33 0.00 0.00 177.39 177.08 1g3i n ASP 14 N -2.84 0.34 0.00 -1.43 10.43 -0.60 -1.81 116.55 120.64 1g3i n ASP 14 Ca -0.08 -0.73 0.00 0.00 2.57 0.00 0.00 54.79 56.55 1g3i n ASP 14 Cb 0.78 -0.17 0.00 0.00 1.84 0.00 0.00 41.12 43.57 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 0.26 -0.60 0.00 -1.24 6.02 -1.26 -4.69 117.38 115.87 1g3i n GLN 15 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 57.00 56.49 1g3i n GLN 15 Cb 0.08 -0.93 0.00 0.00 1.02 0.00 0.00 30.24 30.41 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 -0.03 0.00 -3.11 1.08 8.25 -0.75 0.18 115.22 120.84 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 0.05 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 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 -0.60 -2.44 1.59 5.41 -0.79 -4.99 119.36 117.53 1g3i n ILE 17 Ca 0.00 -3.22 -0.37 0.00 1.00 0.00 0.00 62.75 60.15 1g3i n ILE 17 Cb 0.00 -1.03 -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 -0.47 3.50 0.00 1.39 1.10 -1.26 -4.60 121.20 120.85 1g3i s ILE 18 Ca 0.34 1.18 0.00 0.00 -0.51 0.00 0.00 60.65 61.66 1g3i s ILE 18 Cb 0.15 -3.63 0.00 0.00 0.15 0.00 0.00 42.46 39.13 1g3i s ILE 18 CO -0.15 0.04 0.00 0.61 -2.11 0.00 0.00 174.94 173.33 1g3i n GLY 19 N 0.46 0.35 7.00 1.50 0.00 -1.26 -4.94 105.19 108.30 1g3i n GLY 19 Ca 0.05 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -4.99 117.38 113.87 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 2.67 0.00 0.13 -1.58 0.00 -1.26 -4.87 120.51 115.60 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 -1.22 116.42 116.58 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 -2.03 -0.11 -0.18 3.45 0.00 -1.26 -2.70 120.51 117.68 1g3i n ALA 23 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.44 1g3i n ALA 23 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.21 -0.89 0.00 1.57 -1.64 -2.08 116.57 113.32 1g3i h LYS 24 Ca 0.00 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.90 1g3i h LYS 24 Cb 0.00 0.05 -0.12 0.00 0.08 0.00 0.00 32.23 32.23 1g3i h LYS 24 CO 0.00 -0.14 -0.45 0.54 -0.57 0.00 0.00 179.45 178.83 1g3i n ARG 25 N -5.42 -0.31 0.20 3.15 1.74 -0.77 0.73 116.66 115.97 1g3i n ARG 25 Ca 0.02 1.36 0.04 0.00 -0.77 0.00 0.00 57.85 58.51 1g3i n ARG 25 Cb 0.35 -2.01 0.41 0.00 -1.02 0.00 0.00 32.46 30.19 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 0.79 1.34 -0.33 7.54 0.00 -1.21 -1.37 119.26 126.03 1g3i h ALA 26 Ca 0.22 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1g3i h ALA 26 Cb 0.44 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1g3i h ALA 26 CO -0.86 0.42 -0.27 0.28 0.00 0.00 0.00 179.25 178.82 1g3i h VAL 27 N 0.00 1.27 0.37 0.00 2.07 0.96 -3.06 116.25 117.87 1g3i h VAL 27 Ca -0.00 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 1g3i h VAL 27 Cb 0.63 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1g3i h VAL 27 CO 0.04 0.45 -0.18 0.00 0.02 0.00 0.00 177.57 177.90 1g3i h ALA 28 N 1.13 -0.70 0.00 1.67 0.00 0.66 -3.06 119.26 118.97 1g3i h ALA 28 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1g3i h ALA 28 Cb 0.75 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1g3i h ALA 28 CO 0.06 -0.66 0.28 0.44 0.00 0.00 0.00 179.25 179.37 1g3i n ILE 29 N -4.13 0.85 0.09 0.00 -5.35 -0.59 0.72 119.36 110.96 1g3i n ILE 29 Ca -0.06 0.49 -0.22 0.00 -0.27 0.00 0.00 62.75 62.69 1g3i n ILE 29 Cb 0.20 -1.49 -0.15 0.00 -1.74 0.00 0.00 39.64 36.45 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 0.86 0.11 0.02 -1.28 0.00 -1.42 -3.09 119.26 114.47 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 0.56 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1g3i h ALA 30 CO 0.00 0.98 -0.95 1.25 0.00 0.00 0.00 179.25 180.53 1g3i h LEU 31 N 0.11 0.30 -0.65 0.00 5.85 0.28 -3.25 115.31 117.94 1g3i h LEU 31 Ca -0.31 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.04 1g3i h LEU 31 Cb 2.10 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 43.02 1g3i h LEU 31 CO 0.20 1.09 -0.19 -0.09 -0.34 0.00 0.00 178.44 179.11 1g3i h ARG 32 N 0.11 0.85 0.00 1.25 9.65 -1.54 -2.91 114.38 121.80 1g3i h ARG 32 Ca -0.06 -0.34 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 1g3i h ARG 32 Cb 1.60 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.14 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 -4.12 0.00 -0.92 -3.80 3.02 -1.16 -1.66 115.26 106.61 1g3i n ASN 33 Ca 0.00 -0.40 0.12 0.00 -0.03 0.00 0.00 54.58 54.27 1g3i n ASN 33 Cb 0.43 -0.17 0.10 0.00 -0.61 0.00 0.00 39.78 39.52 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 -1.17 2.20 -0.08 3.52 0.63 -1.10 -3.80 116.66 116.85 1g3i n ARG 34 Ca 0.16 -1.88 -0.17 0.00 -0.92 0.00 0.00 57.85 55.05 1g3i n ARG 34 Cb 0.17 -1.44 -0.06 0.00 0.45 0.00 0.00 32.46 31.58 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 1.30 0.00 0.20 -0.14 -0.00 -0.95 -4.26 117.44 113.58 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 -0.56 0.60 0.00 -0.00 0.00 0.00 31.31 31.93 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 -0.59 0.00 0.00 5.87 2.47 -1.51 0.72 114.38 121.34 1g3i h ARG 36 Ca -0.38 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.22 1g3i h ARG 36 Cb 1.30 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.60 1g3i h ARG 36 CO -0.23 0.00 -0.69 -0.09 0.56 0.00 0.00 179.97 179.52 1g3i h ARG 37 N 0.00 0.00 -0.10 0.04 2.43 -1.76 -3.35 114.38 111.64 1g3i h ARG 37 Ca 0.00 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.11 1g3i h ARG 37 Cb 0.26 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1g3i h ARG 37 CO 0.00 0.44 -0.16 1.98 -1.51 0.00 0.00 179.97 180.72 1g3i h MET 38 N 0.00 0.28 -3.39 0.20 4.05 0.28 -3.35 114.93 113.01 1g3i h MET 38 Ca -0.04 -0.17 -0.43 0.00 -0.28 0.00 0.00 59.70 58.78 1g3i h MET 38 Cb 1.41 0.02 0.02 0.00 -0.80 0.00 0.00 31.60 32.25 1g3i h MET 38 CO 0.06 0.75 2.82 1.04 0.23 0.00 0.00 176.91 181.81 1g3i n GLN 39 N -4.58 2.35 -3.78 0.39 3.00 -1.22 -4.76 117.38 108.78 1g3i n GLN 39 Ca -0.07 -1.59 -0.13 0.00 -0.01 0.00 0.00 57.00 55.20 1g3i n GLN 39 Cb 0.38 -2.52 -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 0.14 0.99 0.00 1.08 1.43 -1.26 -5.08 118.68 115.99 1g3i s LEU 40 Ca 0.45 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.63 1g3i s LEU 40 Cb 0.12 1.12 0.00 0.00 0.03 0.00 0.00 46.19 47.46 1g3i s LEU 40 CO -0.04 -0.39 0.00 0.00 0.23 0.00 0.00 176.35 176.15 1g3i n GLN 41 N 1.49 1.10 0.06 1.70 10.64 -1.26 -4.83 117.38 126.29 1g3i n GLN 41 Ca -0.21 0.00 -0.10 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 -0.23 0.00 2.61 4.57 -2.00 -3.35 114.58 116.18 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 0.18 0.00 -2.30 -1.18 0.00 0.00 179.01 175.71 1g3i n PRO 43 N -4.94 0.00 -0.20 0.92 -0.02 -1.26 -2.97 135.00 126.54 1g3i n PRO 43 Ca -0.08 0.33 -0.01 0.00 -2.02 0.00 0.00 63.50 61.72 1g3i n PRO 43 Cb 0.26 -1.10 -0.02 0.00 -0.02 0.00 0.00 33.50 32.62 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 -1.08 1.58 0.13 2.45 4.77 -1.26 -3.42 117.00 120.17 1g3i n LEU 44 Ca 0.00 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1g3i n LEU 44 Cb 0.00 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 1g3i n LEU 44 CO 0.00 0.25 0.00 -1.14 -1.33 0.00 0.00 177.39 175.17 1g3i n ARG 45 N 2.20 0.00 0.00 3.23 0.63 -1.16 -4.73 116.66 116.83 1g3i n ARG 45 Ca 0.04 0.00 0.07 0.00 -0.92 0.00 0.00 57.85 57.04 1g3i n ARG 45 Cb 0.19 -0.06 0.30 0.00 0.45 0.00 0.00 32.46 33.34 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 -3.48 0.00 -3.47 -0.14 1.44 -1.21 -3.63 115.22 104.73 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 1.68 -2.69 -1.40 0.28 -1.25 -4.78 120.64 111.03 1g3i n GLU 47 Ca 0.04 -4.13 -0.06 0.00 -0.16 0.00 0.00 57.16 52.85 1g3i n GLU 47 Cb 0.15 -1.96 0.09 0.00 1.43 0.00 0.00 31.44 31.15 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 1.46 0.00 -1.48 3.84 3.14 -1.24 -4.87 118.33 119.18 1g3i n VAL 48 Ca 0.26 -1.33 -0.54 0.00 -2.96 0.00 0.00 64.34 59.77 1g3i n VAL 48 Cb 0.43 0.92 -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 0.70 -0.65 1.55 -1.04 -1.26 -4.91 114.28 108.10 1g3i n THR 49 Ca -0.08 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.05 61.44 1g3i n THR 49 Cb 0.81 -0.13 0.18 0.00 -1.82 0.00 0.00 70.33 69.37 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 1.41 -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 0.15 -1.69 -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 -3.47 2.67 0.87 -0.52 -0.14 -1.26 -5.06 119.74 112.82 1g3i s LYS 51 Ca 0.55 -2.12 -0.11 0.00 -1.36 0.00 0.00 55.97 52.93 1g3i s LYS 51 Cb -0.11 -3.94 0.12 0.00 -1.68 0.00 0.00 37.83 32.22 1g3i s LYS 51 CO 0.64 -1.20 1.17 -0.80 -0.76 0.00 0.00 175.35 174.40 1g3i s ASN 52 N 1.95 3.23 0.10 2.83 0.01 -1.26 -4.79 114.94 117.01 1g3i s ASN 52 Ca 0.11 2.26 0.09 0.00 -0.71 0.00 0.00 52.86 54.61 1g3i s ASN 52 Cb -0.21 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 38.84 1g3i s ASN 52 CO -0.03 -2.90 -0.22 -0.63 -1.51 0.00 0.00 177.10 171.80 1g3i s ILE 53 N -2.45 1.84 -0.19 0.60 1.01 -0.49 -2.41 121.20 119.12 1g3i s ILE 53 Ca 0.69 -1.54 -0.00 0.00 0.00 0.00 0.00 60.65 59.81 1g3i s ILE 53 Cb -0.25 -1.65 0.05 0.00 0.01 0.00 0.00 42.46 40.62 1g3i s ILE 53 CO 0.55 0.03 -0.06 -0.76 0.00 0.00 0.00 174.94 174.70 1g3i s LEU 54 N -1.81 1.96 -0.34 2.97 1.43 -0.30 -1.21 118.68 121.38 1g3i s LEU 54 Ca 0.08 -0.84 -0.21 0.00 -1.03 0.00 0.00 54.13 52.13 1g3i s LEU 54 Cb -0.10 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.10 1g3i s LEU 54 CO 0.04 -0.19 0.67 -0.04 0.23 0.00 0.00 176.35 177.05 1g3i s MET 55 N 1.54 3.76 -0.43 1.70 -1.94 0.12 -1.58 119.30 122.45 1g3i s MET 55 Ca -0.01 0.18 -0.15 0.00 -1.71 0.00 0.00 55.69 53.99 1g3i s MET 55 Cb -0.16 -3.79 0.04 0.00 2.01 0.00 0.00 34.83 32.93 1g3i s MET 55 CO -0.07 -0.71 0.34 0.42 -0.01 0.00 0.00 175.02 174.98 1g3i s ILE 56 N 2.76 5.24 -0.16 2.53 1.01 0.19 -0.97 121.20 131.80 1g3i s ILE 56 Ca 0.26 -0.79 -0.34 0.00 0.00 0.00 0.00 60.65 59.78 1g3i s ILE 56 Cb -0.14 -4.01 0.13 0.00 0.01 0.00 0.00 42.46 38.45 1g3i s ILE 56 CO 0.14 -0.41 1.18 -0.83 0.00 0.00 0.00 174.94 175.02 1g3i s GLY 57 N 2.02 -0.32 0.00 6.18 0.00 -0.77 -0.56 107.32 113.88 1g3i s GLY 57 Ca 0.05 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.26 1g3i s GLY 57 CO 0.09 0.49 0.00 -1.05 0.00 0.00 0.00 173.10 172.63 1g3i n PRO 58 N -0.13 1.60 -3.93 2.90 -0.02 -1.26 -3.72 135.00 130.45 1g3i n PRO 58 Ca -0.01 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.16 1g3i n PRO 58 Cb 0.59 0.00 -0.14 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 -0.13 2.71 0.00 3.45 2.01 -1.26 -4.60 115.64 117.82 1g3i s THR 59 Ca 0.00 -3.15 0.00 0.00 0.31 0.00 0.00 61.69 58.85 1g3i s THR 59 Cb 0.00 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.63 1g3i s THR 59 CO 0.00 -0.78 0.00 0.61 -0.69 0.00 0.00 174.62 173.76 1g3i n GLY 60 N 3.31 0.91 0.00 4.40 0.00 -1.25 -3.13 105.19 109.43 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 0.32 -1.31 1.61 0.24 -1.26 -2.97 118.33 114.95 1g3i n VAL 61 Ca 0.00 0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 1g3i n VAL 61 Cb 0.00 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 31.60 1g3i n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1g3i n GLY 62 N 0.31 -2.53 0.00 7.63 0.00 -1.26 -4.96 105.19 104.38 1g3i n GLY 62 Ca 0.10 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.09 1.31 0.00 1.61 5.02 -1.26 -4.49 118.16 120.44 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 -1.00 -0.14 0.00 -0.02 0.00 0.00 35.03 33.87 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 0.86 -0.22 -0.18 2.02 -1.98 -3.30 112.91 110.12 1g3i h THR 64 Ca 0.00 -2.64 -0.01 0.00 0.77 0.00 0.00 66.41 64.53 1g3i h THR 64 Cb 0.32 2.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.24 1g3i h THR 64 CO 0.00 0.68 0.10 -0.33 0.37 0.00 0.00 175.52 176.34 1g3i h GLU 65 N 0.03 0.33 0.00 6.66 4.39 -1.97 0.24 114.58 124.27 1g3i h GLU 65 Ca -0.31 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.34 1g3i h GLU 65 Cb 2.01 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.61 1g3i h GLU 65 CO 0.10 0.36 0.00 -0.89 -1.16 0.00 0.00 179.01 177.42 1g3i n ILE 66 N -4.82 0.91 -0.02 3.13 5.41 -1.26 -0.55 119.36 122.16 1g3i n ILE 66 Ca -0.03 0.43 0.09 0.00 1.00 0.00 0.00 62.75 64.24 1g3i n ILE 66 Cb 0.12 -1.40 -0.17 0.00 -0.71 0.00 0.00 39.64 37.48 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 -1.78 2.69 0.07 -1.39 0.00 -0.73 -4.25 120.51 115.11 1g3i n ALA 67 Ca 0.01 -0.58 -0.20 0.00 0.00 0.00 0.00 53.44 52.66 1g3i n ALA 67 Cb 0.15 -0.69 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 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 0.33 -1.75 0.00 2.43 0.16 -3.29 114.38 112.26 1g3i h ARG 68 Ca -0.05 -0.56 -0.15 0.00 -0.81 0.00 0.00 59.98 58.41 1g3i h ARG 68 Cb 1.09 0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 30.79 1g3i h ARG 68 CO 0.00 1.22 0.19 0.54 -1.51 0.00 0.00 179.97 180.42 1g3i n ARG 69 N -3.52 1.37 -0.01 0.20 5.12 0.29 -2.10 116.66 118.01 1g3i n ARG 69 Ca -0.21 -0.73 0.00 0.00 -1.93 0.00 0.00 57.85 54.97 1g3i n ARG 69 Cb 1.06 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 31.08 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 0.93 0.00 0.00 0.55 7.94 -1.24 -4.54 117.00 120.64 1g3i n LEU 70 Ca 0.14 -0.09 0.00 0.00 -1.11 0.00 0.00 56.01 54.95 1g3i n LEU 70 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 1g3i n LEU 70 CO 0.18 0.09 -0.48 0.00 -1.11 0.00 0.00 177.39 176.06 1g3i n ALA 71 N 0.00 2.07 0.07 1.96 0.00 -0.89 -4.53 120.51 119.18 1g3i n ALA 71 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1g3i n ALA 71 Cb 0.50 0.48 -0.05 0.00 0.00 0.00 0.00 19.45 20.38 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 -0.56 116.57 114.07 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 0.97 0.00 -0.33 0.00 -1.58 0.00 0.00 32.23 31.28 1g3i h LYS 72 CO 0.00 0.52 0.32 1.28 -1.08 0.00 0.00 179.45 180.49 1g3i n LEU 73 N -3.12 6.33 0.00 2.94 4.32 -1.26 -4.10 117.00 122.11 1g3i n LEU 73 Ca -0.04 -5.08 0.00 0.00 -0.02 0.00 0.00 56.01 50.87 1g3i n LEU 73 Cb 0.84 -0.83 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1g3i n LEU 73 CO 0.43 1.99 0.00 0.00 -1.22 0.00 0.00 177.39 178.59 1g3i n ALA 74 N -0.46 0.00 -3.04 -1.18 0.00 -1.25 -4.75 120.51 109.82 1g3i n ALA 74 Ca 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.90 1g3i n ALA 74 Cb 0.40 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 -6.97 -3.62 0.00 5.03 -0.25 -4.96 115.26 104.49 1g3i n ASN 75 Ca 0.00 0.98 -0.09 0.00 0.87 0.00 0.00 54.58 56.35 1g3i n ASN 75 Cb 0.00 -1.89 -0.06 0.00 -1.02 0.00 0.00 39.78 36.81 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 -0.09 -1.99 0.03 5.41 0.00 -0.99 -5.02 121.76 119.10 1g3i s ALA 76 Ca -0.03 1.74 -0.34 0.00 0.00 0.00 0.00 51.96 53.33 1g3i s ALA 76 Cb 0.00 -1.20 -0.13 0.00 0.00 0.00 0.00 23.12 21.79 1g3i s ALA 76 CO 0.07 -0.25 1.73 -2.30 0.00 0.00 0.00 175.76 175.01 1g3i n PRO 77 N 1.46 2.14 -4.36 0.00 -0.02 -1.23 -4.76 135.00 128.22 1g3i n PRO 77 Ca -0.11 0.78 -0.23 0.00 -2.02 0.00 0.00 63.50 61.92 1g3i n PRO 77 Cb 0.57 -2.58 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 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 2.52 2.54 -0.30 6.00 5.36 -1.26 -1.55 117.98 131.29 1g3i s PHE 78 Ca 0.86 -0.26 -0.16 0.00 -0.96 0.00 0.00 56.93 56.41 1g3i s PHE 78 Cb -0.69 -1.12 0.17 0.00 -0.34 0.00 0.00 43.02 41.04 1g3i s PHE 78 CO 0.45 0.65 1.08 -1.50 -1.46 0.00 0.00 175.22 174.44 1g3i s ILE 79 N -2.37 -0.24 -0.11 3.12 1.10 -1.15 -4.84 121.20 116.71 1g3i s ILE 79 Ca 0.31 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.41 1g3i s ILE 79 Cb -0.06 -1.00 -0.03 0.00 0.15 0.00 0.00 42.46 41.52 1g3i s ILE 79 CO 0.18 0.00 0.03 -0.75 -2.11 0.00 0.00 174.94 172.29 1g3i s LYS 80 N 1.93 3.25 0.04 3.50 2.20 -1.26 -0.92 119.74 128.49 1g3i s LYS 80 Ca -0.04 -0.37 0.05 0.00 -0.36 0.00 0.00 55.97 55.24 1g3i s LYS 80 Cb -0.04 -2.92 -0.02 0.00 -1.51 0.00 0.00 37.83 33.34 1g3i s LYS 80 CO -0.16 0.61 -0.13 0.14 -0.36 0.00 0.00 175.35 175.45 1g3i s VAL 81 N -0.61 1.04 -0.40 4.02 -7.23 0.99 -4.97 120.40 113.24 1g3i s VAL 81 Ca 0.10 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.22 1g3i s VAL 81 Cb -0.12 -0.96 0.10 0.00 0.56 0.00 0.00 36.38 35.96 1g3i s VAL 81 CO 0.02 -0.05 0.20 -0.70 -0.31 0.00 0.00 175.10 174.26 1g3i s GLU 82 N -1.21 2.19 -0.29 4.82 2.56 -1.26 -1.26 118.70 124.25 1g3i s GLU 82 Ca 0.00 -1.69 -0.35 0.00 0.00 0.00 0.00 54.97 52.94 1g3i s GLU 82 Cb -0.08 -3.59 -0.11 0.00 2.00 0.00 0.00 34.13 32.35 1g3i s GLU 82 CO 0.01 -1.01 2.12 0.00 -0.56 0.00 0.00 175.26 175.82 1g3i n ALA 83 N 4.68 1.03 0.00 6.30 0.00 -1.26 -5.06 120.51 126.20 1g3i n ALA 83 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1g3i n ALA 83 Cb 0.42 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 7.83 0.00 -0.11 0.00 4.07 -1.26 -5.11 120.64 126.06 1g3i n GLU 95 Ca 0.36 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 57.30 1g3i n GLU 95 Cb 0.25 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.53 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 1.27 0.30 6.31 0.31 -1.26 -4.49 118.33 120.77 1g3i n VAL 96 Ca 0.00 -0.47 0.16 0.00 -0.01 0.00 0.00 64.34 64.03 1g3i n VAL 96 Cb 0.00 -1.36 0.62 0.00 -0.91 0.00 0.00 33.84 32.19 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 -0.11 0.00 0.00 4.52 3.32 -2.03 -3.03 116.42 119.09 1g3i h ASP 97 Ca -0.51 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1g3i h ASP 97 Cb 1.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.28 1g3i h ASP 97 CO -0.12 0.00 0.11 -1.54 -1.72 0.00 0.00 179.24 175.98 1g3i n SER 98 N -2.95 0.47 0.19 6.45 3.41 -1.26 0.66 113.62 120.59 1g3i n SER 98 Ca 0.01 0.68 0.06 0.00 -0.26 0.00 0.00 58.87 59.37 1g3i n SER 98 Cb 0.31 -0.70 0.36 0.00 -0.26 0.00 0.00 64.21 63.92 1g3i n SER 98 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1g3i h ILE 99 N 0.00 0.81 0.00 -1.33 2.04 -1.84 -2.29 117.51 114.90 1g3i h ILE 99 Ca 0.00 -1.44 -0.28 0.00 1.00 0.00 0.00 64.86 64.15 1g3i h ILE 99 Cb 0.22 1.90 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 1g3i h ILE 99 CO 0.00 0.34 -1.51 -0.38 0.00 0.00 0.00 178.15 176.59 1g3i n ILE 100 N -3.50 1.53 -0.15 -0.67 2.08 0.21 -3.22 119.36 115.63 1g3i n ILE 100 Ca -0.00 -0.10 0.28 0.00 0.56 0.00 0.00 62.75 63.49 1g3i n ILE 100 Cb 0.49 -2.01 0.72 0.00 -0.75 0.00 0.00 39.64 38.10 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 -1.00 0.00 0.00 0.38 2.43 -1.38 0.39 114.38 115.21 1g3i h ARG 101 Ca -0.42 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1g3i h ARG 101 Cb 1.37 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1g3i h ARG 101 CO -0.25 0.00 -1.08 -0.25 -1.51 0.00 0.00 179.97 176.87 1g3i n ASP 102 N -4.21 0.73 0.19 -3.80 10.43 -0.86 -3.21 116.55 115.82 1g3i n ASP 102 Ca 0.18 0.24 0.07 0.00 2.57 0.00 0.00 54.79 57.85 1g3i n ASP 102 Cb 0.94 0.62 0.33 0.00 1.84 0.00 0.00 41.12 44.84 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 0.14 0.64 5.85 -0.21 -2.98 115.31 118.75 1g3i h LEU 103 Ca 0.00 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.41 1g3i h LEU 103 Cb 0.96 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1g3i h LEU 103 CO 0.00 0.33 -1.48 0.74 -0.34 0.00 0.00 178.44 177.69 1g3i h THR 104 N 0.00 1.23 0.00 1.05 2.02 -1.44 -3.23 112.91 112.54 1g3i h THR 104 Ca -0.00 -2.82 0.00 0.00 0.77 0.00 0.00 66.41 64.35 1g3i h THR 104 Cb 0.92 2.84 0.00 0.00 -1.74 0.00 0.00 68.15 70.16 1g3i h THR 104 CO 0.04 0.84 0.00 0.47 0.37 0.00 0.00 175.52 177.24 1g3i n ASP 105 N -3.51 0.00 -0.06 4.18 9.92 -1.13 -1.45 116.55 124.50 1g3i n ASP 105 Ca -0.15 0.04 0.05 0.00 -0.53 0.00 0.00 54.79 54.20 1g3i n ASP 105 Cb 1.05 -0.27 0.07 0.00 -0.64 0.00 0.00 41.12 41.33 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 -1.27 2.21 -0.04 -2.24 2.88 -1.17 -4.59 113.62 109.40 1g3i n SER 106 Ca 0.07 -2.51 0.03 0.00 -1.33 0.00 0.00 58.87 55.12 1g3i n SER 106 Cb 0.11 -0.21 -0.15 0.00 -0.75 0.00 0.00 64.21 63.21 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 -0.91 2.28 1.30 -1.46 0.00 -0.53 -4.26 120.51 116.93 1g3i n ALA 107 Ca 0.08 -0.77 0.12 0.00 0.00 0.00 0.00 53.44 52.87 1g3i n ALA 107 Cb 0.44 -0.48 0.42 0.00 0.00 0.00 0.00 19.45 19.83 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 -2.39 1.78 0.00 0.00 2.81 -1.24 -3.02 117.12 115.06 1g3i n MET 108 Ca -0.14 -1.16 0.11 0.00 -1.81 0.00 0.00 57.70 54.71 1g3i n MET 108 Cb 0.75 -1.45 0.09 0.00 -0.71 0.00 0.00 33.22 31.90 1g3i n MET 108 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1g3i n LYS 109 N 0.39 0.58 0.00 0.03 5.02 -1.26 -2.06 118.16 120.85 1g3i n LYS 109 Ca 0.18 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.03 1g3i n LYS 109 Cb 0.38 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1g3i n LYS 109 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1g3i n LEU 110 N -0.83 0.70 -0.00 -0.35 4.77 -1.23 -4.18 117.00 115.87 1g3i n LEU 110 Ca 0.08 -0.79 0.01 0.00 -0.03 0.00 0.00 56.01 55.28 1g3i n LEU 110 Cb 0.38 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 1g3i n LEU 110 CO 0.33 0.17 -0.55 0.52 -1.33 0.00 0.00 177.39 176.54 1g3i n VAL 111 N -0.18 0.04 0.88 4.08 0.31 -1.17 -4.16 118.33 118.13 1g3i n VAL 111 Ca 0.00 -0.08 0.10 0.00 -0.01 0.00 0.00 64.34 64.35 1g3i n VAL 111 Cb 0.02 0.13 0.03 0.00 -0.91 0.00 0.00 33.84 33.11 1g3i n VAL 111 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1g3i n ARG 112 N -1.71 1.61 0.00 5.55 0.63 -0.88 -3.09 116.66 118.76 1g3i n ARG 112 Ca -0.01 -1.24 0.06 0.00 -0.92 0.00 0.00 57.85 55.74 1g3i n ARG 112 Cb 0.19 -1.40 -0.02 0.00 0.45 0.00 0.00 32.46 31.69 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 0.41 2.11 -0.00 -0.14 -0.06 -1.26 -3.09 117.38 115.35 1g3i n GLN 113 Ca 0.10 -0.54 0.06 0.00 -2.00 0.00 0.00 57.00 54.61 1g3i n GLN 113 Cb 0.46 -1.16 -0.07 0.00 -4.06 0.00 0.00 30.24 25.40 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 -0.46 2.16 -0.00 3.69 1.13 -1.25 -4.48 117.38 118.17 1g3i n GLN 114 Ca 0.05 -0.04 0.05 0.00 -1.94 0.00 0.00 57.00 55.12 1g3i n GLN 114 Cb 0.26 -1.13 -0.07 0.00 0.11 0.00 0.00 30.24 29.41 1g3i n GLN 114 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1g3i n GLU 115 N -1.51 1.45 0.00 -1.09 -0.58 -1.18 -4.33 120.64 113.40 1g3i n GLU 115 Ca 0.01 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1g3i n GLU 115 Cb 0.22 -1.16 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 1g3i n GLU 115 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1g3i n ILE 116 N -1.65 0.00 0.00 -3.67 3.06 -1.18 -2.43 119.36 113.49 1g3i n ILE 116 Ca -0.01 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.24 1g3i n ILE 116 Cb 0.24 -0.20 0.00 0.00 0.54 0.00 0.00 39.64 40.22 1g3i n ILE 116 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1g3i n ALA 117 N -0.30 1.05 0.25 1.51 0.00 -1.26 -4.66 120.51 117.10 1g3i n ALA 117 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1g3i n ALA 117 Cb 0.07 0.00 0.89 0.00 0.00 0.00 0.00 19.45 20.41 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 0.00 0.00 -0.13 0.00 2.10 -1.77 1.28 116.57 118.05 1g3i h LYS 118 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1g3i h LYS 118 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1g3i h LYS 118 CO 0.00 0.00 0.00 -1.71 -2.00 0.00 0.00 179.45 175.74 1g3i n ASN 119 N -3.42 1.30 -0.32 7.07 4.05 -1.02 -4.14 115.26 118.78 1g3i n ASN 119 Ca 0.00 -1.66 0.00 0.00 0.45 0.00 0.00 54.58 53.37 1g3i n ASN 119 Cb 0.32 -0.09 0.00 0.00 1.23 0.00 0.00 39.78 41.24 1g3i n ASN 119 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 177.26 172.10 1g3i n ARG 120 N 0.09 0.00 -0.00 1.20 -4.01 0.68 -4.74 116.66 109.87 1g3i n ARG 120 Ca 0.15 0.00 0.05 0.00 -1.04 0.00 0.00 57.85 57.01 1g3i n ARG 120 Cb 0.27 0.00 -0.06 0.00 -3.04 0.00 0.00 32.46 29.63 1g3i n ARG 120 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1g3i n ALA 121 N 0.00 3.26 -0.36 2.89 0.00 0.41 -3.58 120.51 123.12 1g3i n ALA 121 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1g3i n ALA 121 Cb 0.46 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1g3i n ALA 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1g3i n ARG 122 N -1.26 0.57 0.00 0.00 1.74 -1.26 -3.86 116.66 112.59 1g3i n ARG 122 Ca 0.02 -0.71 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 1g3i n ARG 122 Cb 0.16 -0.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.78 1g3i n ARG 122 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1g3i n ALA 123 N -0.15 1.84 0.00 7.54 0.00 -1.26 -4.42 120.51 124.06 1g3i n ALA 123 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1g3i n ALA 123 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1g3i n ALA 123 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1g3i n GLU 124 N -0.40 3.45 -0.44 0.00 4.07 -1.24 -4.38 120.64 121.71 1g3i n GLU 124 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 1g3i n GLU 124 Cb 0.28 -0.48 0.29 0.00 -0.06 0.00 0.00 31.44 31.48 1g3i n GLU 124 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1g3i n ASP 125 N -0.68 4.06 0.00 4.31 8.00 -1.25 -4.00 116.55 126.99 1g3i n ASP 125 Ca 0.00 -2.32 0.00 0.00 0.71 0.00 0.00 54.79 53.18 1g3i n ASP 125 Cb 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.63 1g3i n ASP 125 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1g3i n VAL 126 N 0.89 0.00 -2.14 2.53 0.31 -1.26 -4.81 118.33 113.85 1g3i n VAL 126 Ca 0.22 -0.15 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 1g3i n VAL 126 Cb 0.73 1.21 0.03 0.00 -0.91 0.00 0.00 33.84 34.89 1g3i n VAL 126 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g3i n ALA 127 N -0.21 4.64 -1.51 3.52 0.00 -1.26 -5.08 120.51 120.61 1g3i n ALA 127 Ca 0.00 -3.63 -0.17 0.00 0.00 0.00 0.00 53.44 49.64 1g3i n ALA 127 Cb 0.05 -0.40 -0.15 0.00 0.00 0.00 0.00 19.45 18.95 1g3i n ALA 127 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1g3i n GLU 128 N -0.69 0.25 0.00 0.00 1.02 -1.26 -4.93 120.64 115.02 1g3i n GLU 128 Ca 0.38 -0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1g3i n GLU 128 Cb 0.94 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 1g3i n GLU 128 CO 0.00 0.00 0.00 1.51 1.18 0.00 0.00 177.13 179.82 1g3i n ILE 227 N 7.04 0.00 0.06 -3.67 3.06 -1.26 -5.12 119.36 119.46 1g3i n ILE 227 Ca 0.56 0.00 0.08 0.00 -2.50 0.00 0.00 62.75 60.89 1g3i n ILE 227 Cb 0.29 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 40.41 1g3i n ILE 227 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1g3i n ASP 228 N 0.00 0.62 0.03 9.51 -0.08 -1.26 -3.40 116.55 121.98 1g3i n ASP 228 Ca 0.00 0.25 0.12 0.00 -1.51 0.00 0.00 54.79 53.65 1g3i n ASP 228 Cb 0.00 0.78 0.22 0.00 2.34 0.00 0.00 41.12 44.45 1g3i n ASP 228 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1g3i n ASP 229 N -2.62 0.59 0.04 1.67 5.68 -1.26 -2.69 116.55 117.96 1g3i n ASP 229 Ca -0.04 -0.01 -0.21 0.00 -0.50 0.00 0.00 54.79 54.03 1g3i n ASP 229 Cb 0.64 0.19 -0.14 0.00 -1.14 0.00 0.00 41.12 40.66 1g3i n ASP 229 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1g3i h GLU 230 N 0.00 0.30 0.18 0.11 4.57 -1.97 -3.27 114.58 114.51 1g3i h GLU 230 Ca 0.00 -0.52 -0.32 0.00 -1.18 0.00 0.00 59.36 57.35 1g3i h GLU 230 Cb 0.64 0.19 0.02 0.00 -0.16 0.00 0.00 28.75 29.44 1g3i h GLU 230 CO 0.00 1.25 -1.47 0.00 -1.18 0.00 0.00 179.01 177.60 1g3i h ALA 231 N 0.03 0.05 -0.89 2.92 0.00 -1.69 -3.28 119.26 116.39 1g3i h ALA 231 Ca -0.25 -0.96 0.14 0.00 0.00 0.00 0.00 54.91 53.84 1g3i h ALA 231 Cb 1.78 0.20 -0.09 0.00 0.00 0.00 0.00 17.79 19.68 1g3i h ALA 231 CO 0.12 0.91 0.50 0.00 0.00 0.00 0.00 179.25 180.78 1g3i h ALA 232 N 0.33 1.37 0.00 0.00 0.00 -1.69 -1.19 119.26 118.09 1g3i h ALA 232 Ca -0.24 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1g3i h ALA 232 Cb 2.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1g3i h ALA 232 CO 0.22 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 181.09 1g3i n LYS 233 N -4.80 0.27 0.03 0.00 5.02 -1.23 -3.74 118.16 113.71 1g3i n LYS 233 Ca 0.18 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.35 1g3i n LYS 233 Cb 0.43 -1.36 -0.07 0.00 -0.02 0.00 0.00 35.03 34.01 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 1.69 0.01 -0.45 -0.35 6.46 -1.43 -3.48 115.31 117.75 1g3i h LEU 234 Ca 0.00 -0.00 0.27 0.00 -0.12 0.00 0.00 57.88 58.03 1g3i h LEU 234 Cb 0.26 -0.00 -0.14 0.00 -0.73 0.00 0.00 40.66 40.05 1g3i h LEU 234 CO 0.00 0.01 -0.96 -0.38 -0.62 0.00 0.00 178.44 176.50 1g3i n ILE 235 N -5.08 -0.65 -3.18 4.05 2.08 -1.25 -4.92 119.36 110.42 1g3i n ILE 235 Ca -0.07 0.70 -0.21 0.00 0.56 0.00 0.00 62.75 63.73 1g3i n ILE 235 Cb 0.03 -1.07 -0.06 0.00 -0.75 0.00 0.00 39.64 37.79 1g3i n ILE 235 CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1g3i n ASN 236 N -3.82 -0.80 -0.00 4.38 2.85 -1.26 -5.04 115.26 111.57 1g3i n ASN 236 Ca -0.07 -2.65 -0.13 0.00 -0.11 0.00 0.00 54.58 51.62 1g3i n ASN 236 Cb 0.53 -0.09 -0.09 0.00 1.24 0.00 0.00 39.78 41.37 1g3i n ASN 236 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1g3i h PRO 237 N 4.75 0.01 -0.35 1.20 0.13 -1.97 -2.04 132.00 133.74 1g3i h PRO 237 Ca 0.13 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1g3i h PRO 237 Cb 0.93 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1g3i h PRO 237 CO 0.36 0.35 0.00 0.39 -0.23 0.00 0.00 178.00 178.88 1g3i n GLU 238 N -4.91 1.80 0.00 0.86 -0.58 -1.26 -3.84 120.64 112.71 1g3i n GLU 238 Ca -0.08 -1.17 0.00 0.00 -0.42 0.00 0.00 57.16 55.49 1g3i n GLU 238 Cb 0.19 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1g3i n GLU 238 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1g3i n GLU 239 N 0.43 1.76 0.00 3.49 4.07 -1.25 -4.71 120.64 124.44 1g3i n GLU 239 Ca 0.11 0.00 0.16 0.00 -0.06 0.00 0.00 57.16 57.37 1g3i n GLU 239 Cb 0.29 -0.72 0.89 0.00 -0.06 0.00 0.00 31.44 31.84 1g3i n GLU 239 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1g3i n LEU 240 N -1.19 0.18 -1.94 4.31 7.94 -0.77 -1.19 117.00 124.34 1g3i n LEU 240 Ca 0.00 -0.05 -0.03 0.00 -1.11 0.00 0.00 56.01 54.81 1g3i n LEU 240 Cb 0.22 -0.01 0.32 0.00 0.53 0.00 0.00 43.42 44.49 1g3i n LEU 240 CO 0.00 0.03 1.00 1.17 -1.11 0.00 0.00 177.39 178.48 1g3i n LYS 241 N -0.87 3.86 0.00 1.96 4.81 -1.25 -2.64 118.16 124.04 1g3i n LYS 241 Ca 0.23 -3.11 0.00 0.00 -0.87 0.00 0.00 58.31 54.57 1g3i n LYS 241 Cb 0.14 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 32.98 1g3i n LYS 241 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 1g3i n GLN 242 N -0.07 1.27 -0.01 1.64 -0.06 -0.79 -4.78 117.38 114.58 1g3i n GLN 242 Ca 0.38 0.00 0.06 0.00 -2.00 0.00 0.00 57.00 55.44 1g3i n GLN 242 Cb 1.34 -0.11 -0.14 0.00 -4.06 0.00 0.00 30.24 27.28 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 0.66 0.04 3.69 3.00 -0.34 -3.21 118.16 122.00 1g3i n LYS 243 Ca 0.00 -0.09 -0.12 0.00 -0.00 0.00 0.00 58.31 58.10 1g3i n LYS 243 Cb 0.00 -1.58 -0.14 0.00 0.00 0.00 0.00 35.03 33.31 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 1.75 0.41 0.00 3.14 0.00 -1.77 -3.33 119.26 119.46 1g3i h ALA 244 Ca -0.12 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1g3i h ALA 244 Cb 1.30 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1g3i h ALA 244 CO 0.01 1.27 -0.40 0.82 0.00 0.00 0.00 179.25 180.96 1g3i h ILE 245 N 0.03 0.00 0.00 0.00 2.04 -1.81 -3.19 117.51 114.58 1g3i h ILE 245 Ca -0.19 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1g3i h ILE 245 Cb 1.95 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1g3i h ILE 245 CO 0.13 0.00 0.00 0.44 0.00 0.00 0.00 178.15 178.72 1g3i h ASP 246 N 0.00 0.00 0.76 1.72 5.19 -1.65 -0.60 116.42 121.84 1g3i h ASP 246 Ca 0.00 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.17 1g3i h ASP 246 Cb 0.96 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.43 1g3i h ASP 246 CO 0.00 0.00 -1.34 0.00 -3.12 0.00 0.00 179.24 174.78 1g3i h ALA 247 N 2.14 0.60 0.00 3.45 0.00 -1.68 -3.32 119.26 120.46 1g3i h ALA 247 Ca 0.00 -1.14 -0.00 0.00 0.00 0.00 0.00 54.91 53.77 1g3i h ALA 247 Cb 0.55 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1g3i h ALA 247 CO 0.00 1.33 -0.04 0.28 0.00 0.00 0.00 179.25 180.83 1g3i h VAL 248 N 0.00 0.40 -1.45 0.00 2.07 -1.50 0.58 116.25 116.35 1g3i h VAL 248 Ca -0.16 -1.31 0.47 0.00 0.82 0.00 0.00 66.70 66.53 1g3i h VAL 248 Cb 1.84 0.77 -0.12 0.00 -1.52 0.00 0.00 31.29 32.25 1g3i h VAL 248 CO 0.09 0.14 0.96 -0.33 0.02 0.00 0.00 177.57 178.45 1g3i h GLU 249 N -1.00 0.04 0.00 1.57 5.08 -1.31 -3.05 114.58 115.91 1g3i h GLU 249 Ca -0.00 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 1g3i h GLU 249 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1g3i h GLU 249 CO -0.00 0.03 -0.91 0.94 -1.00 0.00 0.00 179.01 178.07 1g3i n GLN 250 N -4.58 0.32 -2.89 2.33 -0.06 -1.25 -4.17 117.38 107.08 1g3i n GLN 250 Ca 0.39 0.13 -0.44 0.00 -2.00 0.00 0.00 57.00 55.09 1g3i n GLN 250 Cb 1.58 -1.05 -0.02 0.00 -4.06 0.00 0.00 30.24 26.68 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 -6.07 6.63 -0.10 1.69 0.01 0.20 -4.60 114.94 112.70 1g3i s ASN 251 Ca -0.18 -2.02 -0.05 0.00 -0.71 0.00 0.00 52.86 49.90 1g3i s ASN 251 Cb 0.04 -2.41 0.05 0.00 0.41 0.00 0.00 41.25 39.33 1g3i s ASN 251 CO 0.26 -1.09 0.23 -0.83 -1.51 0.00 0.00 177.10 174.15 1g3i s GLY 252 N 3.73 -0.11 -0.18 0.66 0.00 -1.22 -3.54 107.32 106.65 1g3i s GLY 252 Ca 0.34 0.93 0.01 0.00 0.00 0.00 0.00 44.72 46.00 1g3i s GLY 252 CO -0.09 1.30 -0.11 -0.42 0.00 0.00 0.00 173.10 173.77 1g3i s ILE 253 N 1.40 1.60 -0.15 0.90 1.01 -0.60 -0.10 121.20 125.26 1g3i s ILE 253 Ca -0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 60.65 59.65 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 -0.08 0.26 -0.01 -0.69 0.00 0.00 0.00 174.94 174.41 1g3i s VAL 254 N 1.43 4.13 -0.17 2.92 1.01 0.12 -2.93 120.40 126.91 1g3i s VAL 254 Ca 0.01 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.72 1g3i s VAL 254 Cb -0.15 -2.81 0.01 0.00 0.00 0.00 0.00 36.38 33.44 1g3i s VAL 254 CO -0.09 0.51 -0.19 0.12 0.00 0.00 0.00 175.10 175.45 1g3i s PHE 255 N 0.10 2.78 -0.58 5.22 5.36 -0.09 -0.10 117.98 130.66 1g3i s PHE 255 Ca 0.01 -1.50 -0.06 0.00 -0.96 0.00 0.00 56.93 54.42 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 -0.73 0.42 0.42 -1.46 0.00 0.00 175.22 173.89 1g3i s ILE 256 N 1.19 4.00 0.51 3.12 1.01 0.03 -0.00 121.20 131.06 1g3i s ILE 256 Ca 0.02 -2.47 -0.20 0.00 0.00 0.00 0.00 60.65 58.00 1g3i s ILE 256 Cb -0.14 -3.61 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 1g3i s ILE 256 CO -0.09 -0.84 1.07 -0.62 0.00 0.00 0.00 174.94 174.45 1g3i s ASP 257 N 1.53 6.11 -0.31 3.58 2.15 -0.39 -0.72 116.67 128.63 1g3i s ASP 257 Ca 0.13 2.01 -0.27 0.00 0.43 0.00 0.00 52.55 54.84 1g3i s ASP 257 Cb -0.21 -2.57 0.04 0.00 -0.30 0.00 0.00 42.92 39.89 1g3i s ASP 257 CO -0.04 -0.94 0.46 -0.62 -0.17 0.00 0.00 175.17 173.86 1g3i n GLU 258 N -1.12 -1.40 -0.05 4.34 -0.58 -0.92 -3.99 120.64 116.92 1g3i n GLU 258 Ca 0.10 1.20 -0.17 0.00 -0.42 0.00 0.00 57.16 57.87 1g3i n GLU 258 Cb 0.52 -1.65 -0.14 0.00 -0.57 0.00 0.00 31.44 29.61 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 0.26 1.62 -0.46 -3.67 3.06 -0.55 -4.23 119.36 115.39 1g3i n ILE 259 Ca -0.06 -0.68 0.40 0.00 -2.50 0.00 0.00 62.75 59.91 1g3i n ILE 259 Cb 0.62 -1.37 0.67 0.00 0.54 0.00 0.00 39.64 40.10 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 0.21 0.00 9.51 2.03 -1.92 0.49 116.42 126.78 1g3i h ASP 260 Ca -0.46 0.16 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 1g3i h ASP 260 Cb 2.02 0.17 0.00 0.00 -0.83 0.00 0.00 39.33 40.69 1g3i h ASP 260 CO 0.03 -0.27 0.04 0.29 -1.03 0.00 0.00 179.24 178.29 1g3i n LYS 261 N -4.77 0.00 -0.38 4.15 4.76 -1.26 -0.95 118.16 119.71 1g3i n LYS 261 Ca 0.40 0.13 0.07 0.00 -2.87 0.00 0.00 58.31 56.05 1g3i n LYS 261 Cb 1.54 -1.54 0.14 0.00 -1.84 0.00 0.00 35.03 33.34 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 -1.06 1.68 -3.91 -0.18 -5.35 0.17 -5.00 119.36 105.71 1g3i n ILE 262 Ca 0.00 -2.27 -0.27 0.00 -0.27 0.00 0.00 62.75 59.94 1g3i n ILE 262 Cb 0.04 -0.08 -0.03 0.00 -1.74 0.00 0.00 39.64 37.82 1g3i n ILE 262 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1g3i s LYS 264 N -3.12 4.13 -0.08 0.00 -2.85 -1.24 -4.94 119.74 111.64 1g3i s LYS 264 Ca 0.35 2.58 -0.06 0.00 -1.00 0.00 0.00 55.97 57.83 1g3i s LYS 264 Cb -0.11 -3.08 0.02 0.00 -2.06 0.00 0.00 37.83 32.60 1g3i s LYS 264 CO 0.28 -0.72 0.13 1.63 0.10 0.00 0.00 175.35 176.77 1g3i n LYS 265 N 3.76 -4.95 0.00 1.78 5.02 -1.26 -4.96 118.16 117.55 1g3i n LYS 265 Ca 0.15 3.65 0.00 0.00 -2.02 0.00 0.00 58.31 60.08 1g3i n LYS 265 Cb 0.36 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.45 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 1.80 0.00 -0.01 4.39 2.88 -1.26 -4.88 113.62 116.55 1g3i n SER 269 Ca -0.21 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.38 1g3i n SER 269 Cb 0.33 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.52 0.47 0.46 0.00 -1.26 -4.31 105.19 100.03 1g3i n GLY 270 Ca 0.00 -0.27 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 -1.91 2.74 -2.92 4.61 0.00 -1.26 -4.48 120.51 117.30 1g3i n ALA 271 Ca -0.02 -0.47 -0.13 0.00 0.00 0.00 0.00 53.44 52.82 1g3i n ALA 271 Cb 0.31 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.07 -2.01 0.00 0.00 5.68 -1.26 -4.95 116.55 114.09 1g3i n ASP 272 Ca 0.16 -3.01 0.10 0.00 -0.50 0.00 0.00 54.79 51.54 1g3i n ASP 272 Cb 0.38 0.99 0.57 0.00 -1.14 0.00 0.00 41.12 41.92 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 1.90 0.00 0.38 2.12 0.31 -1.26 -3.03 118.33 118.74 1g3i n VAL 273 Ca 0.15 0.00 0.09 0.00 -0.01 0.00 0.00 64.34 64.57 1g3i n VAL 273 Cb 0.58 -0.64 0.39 0.00 -0.91 0.00 0.00 33.84 33.27 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 -0.96 0.35 0.24 4.52 3.41 -1.26 -1.66 113.62 118.25 1g3i n SER 274 Ca 0.14 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.48 1g3i n SER 274 Cb 0.07 -0.67 0.41 0.00 -0.26 0.00 0.00 64.21 63.76 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 -1.92 114.38 118.02 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 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1g3i h ARG 275 CO 0.00 0.08 -0.83 -1.91 -1.07 0.00 0.00 179.97 176.24 1g3i n GLU 276 N -3.15 0.00 -0.01 0.04 2.13 -0.67 -3.70 120.64 115.28 1g3i n GLU 276 Ca 0.02 -0.00 -0.16 0.00 0.66 0.00 0.00 57.16 57.67 1g3i n GLU 276 Cb 0.44 -1.50 -0.13 0.00 0.27 0.00 0.00 31.44 30.52 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 0.21 0.96 8.31 0.00 -1.22 -2.79 103.07 113.53 1g3i h GLY 277 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1g3i h GLY 277 CO 0.00 0.39 0.01 -2.08 0.00 0.00 0.00 176.54 174.86 1g3i h VAL 278 N -0.56 0.99 0.00 4.60 2.07 -1.61 0.35 116.25 122.09 1g3i h VAL 278 Ca -0.06 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1g3i h VAL 278 Cb 1.22 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1g3i h VAL 278 CO 0.07 0.00 0.10 -0.61 0.02 0.00 0.00 177.57 177.16 1g3i h GLN 279 N 0.02 0.00 0.02 1.57 4.15 -1.65 -0.88 115.11 118.34 1g3i h GLN 279 Ca 0.01 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 59.06 1g3i h GLN 279 Cb 0.01 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.65 1g3i h GLN 279 CO -0.02 0.00 -2.11 -2.13 -1.93 0.00 0.00 178.83 172.64 1g3i n ARG 280 N -2.25 0.63 0.03 1.69 3.00 0.57 -4.04 116.66 116.29 1g3i n ARG 280 Ca -0.01 0.32 0.08 0.00 -0.00 0.00 0.00 57.85 58.23 1g3i n ARG 280 Cb 0.13 -1.60 0.34 0.00 0.00 0.00 0.00 32.46 31.33 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 -3.93 0.16 -1.12 6.15 8.00 0.92 -1.28 116.55 125.45 1g3i n ASP 281 Ca -0.43 0.54 0.11 0.00 0.71 0.00 0.00 54.79 55.72 1g3i n ASP 281 Cb 0.89 -0.57 0.26 0.00 -0.02 0.00 0.00 41.12 41.68 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 -1.67 3.29 -0.01 0.64 7.94 -0.40 -4.27 117.00 122.53 1g3i n LEU 282 Ca 0.03 -1.52 -0.18 0.00 -1.11 0.00 0.00 56.01 53.23 1g3i n LEU 282 Cb 0.17 -0.32 -0.14 0.00 0.53 0.00 0.00 43.42 43.67 1g3i n LEU 282 CO 0.14 0.76 0.15 0.25 -1.11 0.00 0.00 177.39 177.58 1g3i h LEU 283 N 3.96 0.26 -1.87 -1.96 5.85 -1.33 -3.28 115.31 116.94 1g3i h LEU 283 Ca 0.00 -0.95 0.26 0.00 0.84 0.00 0.00 57.88 58.03 1g3i h LEU 283 Cb 0.89 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 1g3i h LEU 283 CO 0.00 1.25 0.66 -0.65 -0.34 0.00 0.00 178.44 179.36 1g3i h PRO 284 N -0.65 0.09 -0.05 5.25 0.11 -1.74 0.17 132.00 135.18 1g3i h PRO 284 Ca -0.10 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.82 1g3i h PRO 284 Cb 1.37 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.48 1g3i h PRO 284 CO 0.07 0.06 -0.71 -0.07 -0.21 0.00 0.00 178.00 177.14 1g3i h LEU 285 N 0.09 0.71 -0.03 2.35 4.07 -1.83 -0.16 115.31 120.51 1g3i h LEU 285 Ca 0.46 -0.71 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1g3i h LEU 285 Cb 1.67 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 43.19 1g3i h LEU 285 CO -0.06 1.31 0.00 -0.37 -1.08 0.00 0.00 178.44 178.25 1g3i h VAL 286 N 0.17 0.00 0.00 1.22 -1.51 -1.31 -3.35 116.25 111.46 1g3i h VAL 286 Ca -0.08 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 1g3i h VAL 286 Cb 1.38 1.70 0.00 0.00 -2.13 0.00 0.00 31.29 32.24 1g3i h VAL 286 CO 0.14 0.00 -0.09 -0.33 -1.23 0.00 0.00 177.57 176.06 1g3i h GLU 287 N 0.00 0.00 0.00 5.19 5.08 -0.71 -3.49 114.58 120.65 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 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 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 1.81 2.04 0.19 -3.84 0.00 -0.08 -4.63 105.19 100.68 1g3i n GLY 288 Ca -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.05 -3.90 1.61 2.88 -1.19 -4.86 113.62 108.11 1g3i n SER 289 Ca 0.00 -1.12 -0.30 0.00 -1.33 0.00 0.00 58.87 56.11 1g3i n SER 289 Cb 0.00 0.11 -0.15 0.00 -0.75 0.00 0.00 64.21 63.42 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 -2.16 1.56 0.10 2.46 2.01 -1.26 -2.65 115.64 115.69 1g3i s THR 290 Ca 0.02 -1.65 -0.24 0.00 0.31 0.00 0.00 61.69 60.13 1g3i s THR 290 Cb 0.00 -2.04 -0.07 0.00 0.01 0.00 0.00 72.50 70.40 1g3i s THR 290 CO 0.02 -0.45 0.73 -0.69 -0.69 0.00 0.00 174.62 173.53 1g3i s VAL 291 N 1.31 4.59 -0.69 3.82 1.01 -0.95 -4.90 120.40 124.59 1g3i s VAL 291 Ca 0.05 1.58 -0.16 0.00 0.00 0.00 0.00 61.98 63.45 1g3i s VAL 291 Cb -0.18 -4.08 0.15 0.00 0.00 0.00 0.00 36.38 32.27 1g3i s VAL 291 CO -0.13 0.46 0.71 -0.94 0.00 0.00 0.00 175.10 175.20 1g3i s SER 292 N -0.67 6.43 0.70 3.32 1.04 -1.26 -1.80 113.70 121.46 1g3i s SER 292 Ca 0.36 -2.04 -0.04 0.00 0.48 0.00 0.00 55.95 54.71 1g3i s SER 292 Cb -0.21 -2.25 0.09 0.00 0.10 0.00 0.00 66.02 63.75 1g3i s SER 292 CO 0.23 -0.85 0.99 0.42 0.98 0.00 0.00 173.24 175.01 1g3i s THR 293 N 1.49 2.28 -0.06 2.02 -4.23 -0.87 -4.96 115.64 111.32 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 70.89 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 -2.59 118.16 119.46 1g3i n LYS 294 Ca 0.11 -0.39 0.00 0.00 -1.05 0.00 0.00 58.31 56.99 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 0.28 0.99 3.66 -1.41 0.00 -1.07 -4.86 105.19 102.79 1g3i n GLY 296 Ca 0.00 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.67 4.26 -0.19 1.61 1.00 -1.26 -2.05 119.30 121.01 1g3i s MET 297 Ca 0.00 1.09 -0.02 0.00 0.00 0.00 0.00 55.69 56.76 1g3i s MET 297 Cb 0.00 -3.61 -0.01 0.00 0.00 0.00 0.00 34.83 31.22 1g3i s MET 297 CO 0.00 -0.44 -0.09 0.54 0.00 0.00 0.00 175.02 175.03 1g3i s VAL 298 N 2.55 3.12 0.80 -6.03 0.11 -0.74 -4.98 120.40 115.24 1g3i s VAL 298 Ca 0.39 -0.59 -0.12 0.00 -2.93 0.00 0.00 61.98 58.73 1g3i s VAL 298 Cb -0.16 -2.38 0.07 0.00 -1.53 0.00 0.00 36.38 32.38 1g3i s VAL 298 CO 0.10 0.47 1.10 -0.75 -3.33 0.00 0.00 175.10 172.69 1g3i s LYS 299 N 1.14 2.03 0.00 1.54 2.20 -1.26 -2.23 119.74 123.16 1g3i s LYS 299 Ca 0.01 0.59 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 1g3i s LYS 299 Cb -0.14 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 34.26 1g3i s LYS 299 CO -0.02 -1.65 0.00 0.25 -0.36 0.00 0.00 175.35 173.57 1g3i n THR 300 N -3.45 0.00 -0.09 3.43 -2.24 -1.08 -4.54 114.28 106.32 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 0.57 -0.56 0.14 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.62 0.06 -0.93 3.42 9.92 -1.26 0.19 116.55 126.34 1g3i n ASP 301 Ca 0.00 0.45 0.11 0.00 -0.53 0.00 0.00 54.79 54.82 1g3i n ASP 301 Cb 0.32 -0.20 0.27 0.00 -0.64 0.00 0.00 41.12 40.86 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 -3.76 0.38 -0.80 1.24 8.25 -1.26 -4.44 115.22 114.83 1g3i n HIS 302 Ca 0.09 -0.19 -0.31 0.00 -0.26 0.00 0.00 57.72 57.06 1g3i n HIS 302 Cb 0.31 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.68 1g3i n HIS 302 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1g3i s ILE 303 N -1.62 1.35 -0.10 1.59 1.01 0.52 -4.77 121.20 119.17 1g3i s ILE 303 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 60.65 61.00 1g3i s ILE 303 Cb 0.21 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.36 1g3i s ILE 303 CO 0.29 0.00 -0.05 -0.22 0.00 0.00 0.00 174.94 174.97 1g3i s LEU 304 N -7.38 0.97 -0.08 2.97 1.98 0.85 -4.68 118.68 113.31 1g3i s LEU 304 Ca 0.71 -0.22 -0.01 0.00 -2.89 0.00 0.00 54.13 51.71 1g3i s LEU 304 Cb -0.09 -0.70 -0.03 0.00 0.66 0.00 0.00 46.19 46.03 1g3i s LEU 304 CO 0.56 -0.15 -0.02 -0.36 -1.89 0.00 0.00 176.35 174.50 1g3i s PHE 305 N 1.80 3.11 -0.17 5.38 0.40 -1.26 0.13 117.98 127.37 1g3i s PHE 305 Ca 0.05 0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.50 1g3i s PHE 305 Cb -0.12 -1.78 0.05 0.00 0.51 0.00 0.00 43.02 41.68 1g3i s PHE 305 CO -0.07 0.42 0.02 0.42 0.70 0.00 0.00 175.22 176.71 1g3i s ILE 306 N -0.81 0.57 -0.18 0.64 1.01 0.85 -1.39 121.20 121.89 1g3i s ILE 306 Ca 0.12 -0.44 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 1g3i s ILE 306 Cb -0.11 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 1g3i s ILE 306 CO 0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 174.94 174.87 1g3i s ALA 307 N 1.85 3.06 0.08 9.38 0.00 -0.35 -0.79 121.76 134.98 1g3i s ALA 307 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1g3i s ALA 307 Cb -0.16 -1.69 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 1g3i s ALA 307 CO -0.07 0.05 0.22 -1.54 0.00 0.00 0.00 175.76 174.41 1g3i s SER 308 N 0.64 6.30 -0.26 0.00 1.04 0.10 0.11 113.70 121.64 1g3i s SER 308 Ca -0.01 0.23 -0.26 0.00 0.48 0.00 0.00 55.95 56.40 1g3i s SER 308 Cb -0.14 -1.92 0.12 0.00 0.10 0.00 0.00 66.02 64.18 1g3i s SER 308 CO 0.02 0.15 1.02 -0.83 0.98 0.00 0.00 173.24 174.58 1g3i s GLY 309 N -2.63 -0.18 0.10 7.32 0.00 -0.14 -1.48 107.32 110.30 1g3i s GLY 309 Ca 0.35 2.55 -0.02 0.00 0.00 0.00 0.00 44.72 47.60 1g3i s GLY 309 CO 0.28 1.71 1.22 0.00 0.00 0.00 0.00 173.10 176.30 1g3i h ALA 310 N 3.97 0.23 -6.83 3.20 0.00 -1.84 -2.04 119.26 115.95 1g3i h ALA 310 Ca -0.27 -0.85 -0.57 0.00 0.00 0.00 0.00 54.91 53.23 1g3i h ALA 310 Cb 1.17 -0.03 -0.14 0.00 0.00 0.00 0.00 17.79 18.79 1g3i h ALA 310 CO 0.14 0.99 -0.94 1.19 0.00 0.00 0.00 179.25 180.63 1g3i n PHE 311 N -3.55 -1.43 0.00 0.00 0.99 -1.26 -4.51 117.46 107.70 1g3i n PHE 311 Ca -0.06 0.65 -0.22 0.00 -0.00 0.00 0.00 57.45 57.83 1g3i n PHE 311 Cb 0.96 -3.20 -0.14 0.00 -1.00 0.00 0.00 39.48 36.10 1g3i n PHE 311 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1g3i n GLN 312 N -4.52 0.75 0.00 -1.08 10.64 -1.26 -4.66 117.38 117.25 1g3i n GLN 312 Ca -0.32 0.29 0.00 0.00 -1.83 0.00 0.00 57.00 55.14 1g3i n GLN 312 Cb 0.69 -1.71 0.00 0.00 -0.86 0.00 0.00 30.24 28.36 1g3i n GLN 312 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 1g3i n VAL 313 N -3.55 0.00 -0.23 -0.39 0.24 -1.26 -4.96 118.33 108.17 1g3i n VAL 313 Ca -0.32 0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 1g3i n VAL 313 Cb 1.02 -0.28 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 -2.11 0.00 -2.94 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 -1.04 1.65 0.09 0.00 0.52 -1.26 -4.75 118.95 114.16 1g3i s ARG 315 Ca 0.00 -1.50 -0.24 0.00 -0.52 0.00 0.00 55.73 53.47 1g3i s ARG 315 Cb 0.00 0.43 -0.08 0.00 0.52 0.00 0.00 34.95 35.82 1g3i s ARG 315 CO 0.00 -0.67 1.40 -1.35 0.02 0.00 0.00 175.30 174.69 1g3i h PRO 316 N 2.25 -0.32 0.00 3.54 0.11 -2.00 -0.29 132.00 135.29 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 0.28 -1.13 -0.21 0.00 0.00 178.00 177.12 1g3i n SER 317 N -4.63 0.14 -0.63 -2.05 3.41 -1.26 -1.55 113.62 107.04 1g3i n SER 317 Ca -0.03 0.39 0.01 0.00 -0.26 0.00 0.00 58.87 58.98 1g3i n SER 317 Cb 0.25 -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 -4.65 4.04 10.43 -0.12 -4.81 116.55 121.37 1g3i n ASP 318 Ca -0.00 -2.12 -0.26 0.00 2.57 0.00 0.00 54.79 54.98 1g3i n ASP 318 Cb 0.29 -0.46 -0.08 0.00 1.84 0.00 0.00 41.12 42.71 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 -0.52 3.27 0.32 0.64 1.43 -0.59 -3.68 118.68 119.54 1g3i s LEU 319 Ca 0.08 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 1g3i s LEU 319 Cb 0.06 -1.90 -0.13 0.00 0.03 0.00 0.00 46.19 44.25 1g3i s LEU 319 CO 0.03 0.07 1.27 2.30 0.23 0.00 0.00 176.35 180.26 1g3i n ILE 320 N -0.26 1.82 -0.32 -0.59 -5.35 -1.26 -4.76 119.36 108.63 1g3i n ILE 320 Ca -0.09 -0.45 0.17 0.00 -0.27 0.00 0.00 62.75 62.10 1g3i n ILE 320 Cb 0.56 -1.48 0.37 0.00 -1.74 0.00 0.00 39.64 37.35 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 2.76 0.38 -0.09 6.28 0.11 -1.98 -2.03 132.00 137.45 1g3i h PRO 321 Ca -0.45 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1g3i h PRO 321 Cb 1.29 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1g3i h PRO 321 CO 0.65 0.25 -0.48 0.93 -0.21 0.00 0.00 178.00 179.13 1g3i h GLU 322 N 0.39 -0.52 -0.35 1.05 3.07 -2.00 -1.94 114.58 114.28 1g3i h GLU 322 Ca 0.62 0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.51 1g3i h GLU 322 Cb 1.27 0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 29.28 1g3i h GLU 322 CO -0.56 -0.35 0.17 -0.07 -1.40 0.00 0.00 179.01 176.80 1g3i h LEU 323 N -0.54 0.43 -1.96 1.33 4.07 -1.73 -2.17 115.31 114.73 1g3i h LEU 323 Ca 0.02 -0.03 0.04 0.00 0.08 0.00 0.00 57.88 57.99 1g3i h LEU 323 Cb 0.62 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1g3i h LEU 323 CO -0.37 0.37 0.13 1.56 -1.08 0.00 0.00 178.44 179.05 1g3i h GLN 324 N 0.49 0.05 -0.00 1.13 4.20 -0.99 -1.38 115.11 118.60 1g3i h GLN 324 Ca 0.12 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1g3i h GLN 324 Cb 0.06 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1g3i h GLN 324 CO -0.02 0.03 -0.70 0.41 -0.67 0.00 0.00 178.83 177.88 1g3i n GLY 325 N -1.56 -1.01 1.16 3.46 0.00 -0.85 -4.03 105.19 102.36 1g3i n GLY 325 Ca 0.01 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.35 1.89 -2.70 1.61 5.12 -0.56 -4.40 116.66 116.27 1g3i n ARG 326 Ca 0.06 -3.17 -0.07 0.00 -1.93 0.00 0.00 57.85 52.73 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 -1.10 -1.31 0.25 0.55 4.77 -0.95 -4.62 117.00 114.60 1g3i n LEU 327 Ca 0.33 -3.52 0.18 0.00 -0.03 0.00 0.00 56.01 52.97 1g3i n LEU 327 Cb 1.03 0.13 0.88 0.00 -2.33 0.00 0.00 43.42 43.13 1g3i n LEU 327 CO 0.19 1.85 1.15 -0.65 -1.33 0.00 0.00 177.39 178.60 1g3i h PRO 328 N 2.22 0.00 -5.41 3.23 0.11 -1.75 -3.42 132.00 126.98 1g3i h PRO 328 Ca -0.24 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.25 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 0.04 0.00 0.06 0.42 -0.21 0.00 0.00 178.00 178.31 1g3i s ILE 329 N -4.38 5.00 -0.33 4.15 1.01 -1.01 -5.03 121.20 120.61 1g3i s ILE 329 Ca -0.04 0.81 -0.03 0.00 0.00 0.00 0.00 60.65 61.38 1g3i s ILE 329 Cb 0.13 -3.93 0.05 0.00 0.01 0.00 0.00 42.46 38.73 1g3i s ILE 329 CO 0.44 -0.06 0.06 -0.13 0.00 0.00 0.00 174.94 175.25 1g3i s ARG 330 N 2.46 2.44 -0.19 2.79 1.81 -1.26 -1.15 118.95 125.85 1g3i s ARG 330 Ca 0.23 -1.31 -0.04 0.00 -1.72 0.00 0.00 55.73 52.89 1g3i s ARG 330 Cb -0.15 -3.32 -0.02 0.00 -0.45 0.00 0.00 34.95 31.00 1g3i s ARG 330 CO 0.11 -0.69 -0.02 0.54 -0.68 0.00 0.00 175.30 174.56 1g3i s VAL 331 N 1.29 3.85 -0.41 3.52 0.11 -0.62 -4.99 120.40 123.14 1g3i s VAL 331 Ca -0.02 -0.35 -0.14 0.00 -2.93 0.00 0.00 61.98 58.53 1g3i s VAL 331 Cb -0.20 -2.72 0.03 0.00 -1.53 0.00 0.00 36.38 31.96 1g3i s VAL 331 CO -0.00 0.45 0.29 -0.70 -3.33 0.00 0.00 175.10 171.80 1g3i s GLU 332 N 0.87 2.91 0.79 1.54 2.12 -1.26 -0.64 118.70 125.04 1g3i s GLU 332 Ca 0.00 -1.11 -0.10 0.00 0.36 0.00 0.00 54.97 54.12 1g3i s GLU 332 Cb -0.14 -3.93 0.11 0.00 0.26 0.00 0.00 34.13 30.42 1g3i s GLU 332 CO 0.02 -0.79 1.13 -0.51 -0.54 0.00 0.00 175.26 174.56 1g3i s LEU 333 N 1.63 2.73 0.30 2.70 1.43 0.28 -4.59 118.68 123.15 1g3i s LEU 333 Ca 0.04 0.40 0.06 0.00 -1.03 0.00 0.00 54.13 53.60 1g3i s LEU 333 Cb -0.20 -2.83 -0.06 0.00 0.03 0.00 0.00 46.19 43.13 1g3i s LEU 333 CO 0.08 -1.98 -0.04 0.42 0.23 0.00 0.00 176.35 175.06 1g3i s THR 334 N -3.47 1.65 0.59 5.49 -4.23 -1.26 -4.72 115.64 109.69 1g3i s THR 334 Ca 0.65 -2.11 -0.13 0.00 -1.18 0.00 0.00 61.69 58.92 1g3i s THR 334 Cb -0.09 -2.54 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 1g3i s THR 334 CO 0.48 -0.24 1.02 0.00 -0.54 0.00 0.00 174.62 175.34 1g3i s ALA 335 N -3.00 3.01 -0.20 3.99 0.00 -1.26 -4.81 121.76 119.50 1g3i s ALA 335 Ca 0.31 0.05 -0.24 0.00 0.00 0.00 0.00 51.96 52.08 1g3i s ALA 335 Cb 0.05 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.04 1g3i s ALA 335 CO 0.13 -0.62 0.77 -0.51 0.00 0.00 0.00 175.76 175.53 1g3i s LEU 336 N -4.83 4.13 0.00 0.00 1.43 -1.26 -5.02 118.68 113.13 1g3i s LEU 336 Ca 0.57 1.02 -0.03 0.00 -1.03 0.00 0.00 54.13 54.67 1g3i s LEU 336 Cb -0.11 -3.11 0.08 0.00 0.03 0.00 0.00 46.19 43.08 1g3i s LEU 336 CO 0.46 -0.40 0.53 -1.54 0.23 0.00 0.00 176.35 175.63 1g3i n SER 337 N 5.42 0.41 0.00 2.29 3.41 -1.26 -4.93 113.62 118.97 1g3i n SER 337 Ca 0.03 -1.42 -0.12 0.00 -0.26 0.00 0.00 58.87 57.10 1g3i n SER 337 Cb 0.49 -0.37 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.06 0.06 0.00 7.33 0.00 -1.97 -2.47 119.26 121.16 1g3i h ALA 338 Ca -0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1g3i h ALA 338 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1g3i h ALA 338 CO 0.16 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.05 1g3i h ALA 339 N 0.87 1.00 0.00 0.00 0.00 -1.95 -2.67 119.26 116.51 1g3i h ALA 339 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1g3i h ALA 339 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1g3i h ALA 339 CO -0.00 0.00 -0.08 -0.44 0.00 0.00 0.00 179.25 178.73 1g3i h ASP 340 N 0.00 0.00 0.94 0.00 3.45 -1.80 -3.04 116.42 115.97 1g3i h ASP 340 Ca 0.00 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.38 1g3i h ASP 340 Cb 0.42 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 1g3i h ASP 340 CO 0.00 0.08 -1.11 -0.26 -1.57 0.00 0.00 179.24 176.38 1g3i h PHE 341 N 0.00 0.00 0.00 4.55 -1.00 -1.34 -2.56 116.94 116.59 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 0.94 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.49 1g3i h PHE 341 CO 0.00 0.27 -0.35 1.49 -1.61 0.00 0.00 178.31 178.10 1g3i h GLU 342 N 0.00 0.00 0.00 1.51 4.81 -1.49 -2.74 114.58 116.67 1g3i h GLU 342 Ca -0.07 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 1g3i h GLU 342 Cb 1.26 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1g3i h GLU 342 CO 0.02 0.35 -0.89 0.54 -0.73 0.00 0.00 179.01 178.31 1g3i n ARG 343 N -3.65 0.50 0.02 1.92 1.74 -1.17 -4.10 116.66 111.93 1g3i n ARG 343 Ca -0.01 0.52 0.01 0.00 -0.77 0.00 0.00 57.85 57.61 1g3i n ARG 343 Cb 0.46 -1.70 0.05 0.00 -1.02 0.00 0.00 32.46 30.26 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 -4.53 1.29 0.59 0.55 5.41 -0.96 -0.18 119.36 121.53 1g3i n ILE 344 Ca -0.19 0.53 0.12 0.00 1.00 0.00 0.00 62.75 64.22 1g3i n ILE 344 Cb 0.45 -1.53 0.23 0.00 -0.71 0.00 0.00 39.64 38.09 1g3i n ILE 344 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1g3i n LEU 345 N -1.43 0.73 0.00 1.39 7.94 -1.03 -4.58 117.00 120.02 1g3i n LEU 345 Ca -0.00 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.22 1g3i n LEU 345 Cb 0.17 -0.22 0.00 0.00 0.53 0.00 0.00 43.42 43.90 1g3i n LEU 345 CO 0.01 -0.09 0.00 0.35 -1.11 0.00 0.00 177.39 176.55 1g3i n THR 346 N -2.15 0.00 -0.18 1.96 -2.24 0.75 -2.93 114.28 109.49 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 -0.17 0.07 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.04 -2.08 -0.78 1.02 -1.09 -4.51 120.64 110.83 1g3i n GLU 347 Ca 0.00 0.76 -0.38 0.00 -0.02 0.00 0.00 57.16 57.52 1g3i n GLU 347 Cb 0.00 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 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 -5.60 3.76 0.20 3.49 0.02 -1.26 -4.94 135.00 130.67 1g3i s PRO 348 Ca -0.07 2.04 -0.31 0.00 0.02 0.00 0.00 61.00 62.68 1g3i s PRO 348 Cb 0.13 -2.56 -0.10 0.00 0.02 0.00 0.00 34.50 32.00 1g3i s PRO 348 CO 0.38 -0.63 1.44 -1.01 -0.33 0.00 0.00 177.00 176.86 1g3i s HIS 349 N -1.36 3.10 -0.14 6.54 3.76 0.48 -1.70 115.29 125.96 1g3i s HIS 349 Ca 0.61 0.94 0.00 0.00 -0.15 0.00 0.00 55.06 56.47 1g3i s HIS 349 Cb -0.35 -3.79 0.00 0.00 1.11 0.00 0.00 32.58 29.54 1g3i s HIS 349 CO 0.44 -2.69 0.00 0.00 -0.85 0.00 0.00 174.74 171.64 1g3i n ALA 350 N 3.04 -0.02 -0.86 -1.40 0.00 -1.26 -4.79 120.51 115.22 1g3i n ALA 350 Ca 0.09 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.23 1g3i n ALA 350 Cb 0.40 -0.59 0.14 0.00 0.00 0.00 0.00 19.45 19.41 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 1.73 -0.06 -0.12 0.00 3.41 -0.69 -4.55 113.62 113.33 1g3i n SER 351 Ca -0.01 0.46 -0.05 0.00 -0.26 0.00 0.00 58.87 59.01 1g3i n SER 351 Cb 0.04 -1.42 0.04 0.00 -0.26 0.00 0.00 64.21 62.61 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 -1.46 0.02 -0.31 1.04 3.38 -1.81 0.27 115.31 116.44 1g3i h LEU 352 Ca -0.44 0.07 0.07 0.00 0.09 0.00 0.00 57.88 57.66 1g3i h LEU 352 Cb 1.29 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 42.05 1g3i h LEU 352 CO 0.41 0.05 -0.16 0.71 0.09 0.00 0.00 178.44 179.54 1g3i h THR 353 N 0.22 0.53 0.13 0.22 1.35 -1.88 -0.70 112.91 112.78 1g3i h THR 353 Ca 0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.05 1g3i h THR 353 Cb 0.24 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1g3i h THR 353 CO -0.25 0.00 -0.07 -0.33 -0.25 0.00 0.00 175.52 174.62 1g3i h GLU 354 N -0.11 -0.18 -0.66 4.72 4.39 -1.62 -1.03 114.58 120.08 1g3i h GLU 354 Ca 0.16 0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.97 1g3i h GLU 354 Cb 0.35 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.97 1g3i h GLU 354 CO -0.38 -0.12 0.30 1.96 -1.16 0.00 0.00 179.01 179.61 1g3i h GLN 355 N -0.19 0.49 0.00 2.33 4.20 0.06 -0.50 115.11 121.51 1g3i h GLN 355 Ca -0.02 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1g3i h GLN 355 Cb 0.15 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1g3i h GLN 355 CO 0.03 0.33 -0.04 1.88 -0.67 0.00 0.00 178.83 180.36 1g3i h TYR 356 N 0.51 0.00 -0.05 2.96 0.05 -1.08 -1.91 116.97 117.45 1g3i h TYR 356 Ca 0.33 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.09 1g3i h TYR 356 Cb 0.38 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.12 1g3i h TYR 356 CO -0.13 0.04 -0.04 -0.22 -1.05 0.00 0.00 178.16 176.75 1g3i h LYS 357 N 0.00 0.12 -0.00 4.88 3.64 0.21 -2.55 116.57 122.86 1g3i h LYS 357 Ca -0.00 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.14 1g3i h LYS 357 Cb 0.97 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1g3i h LYS 357 CO 0.00 0.55 -0.83 0.00 -2.27 0.00 0.00 179.45 176.91 1g3i h ALA 358 N 0.56 0.60 0.00 5.00 0.00 -1.18 -2.36 119.26 121.88 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 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1g3i h ALA 358 CO 0.01 0.91 0.00 1.28 0.00 0.00 0.00 179.25 181.45 1g3i n LEU 359 N -3.67 0.58 -0.37 0.00 4.77 -0.72 -2.55 117.00 115.04 1g3i n LEU 359 Ca -0.03 0.60 0.06 0.00 -0.03 0.00 0.00 56.01 56.62 1g3i n LEU 359 Cb 0.78 -0.48 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1g3i n LEU 359 CO 0.46 -0.36 0.30 0.23 -1.33 0.00 0.00 177.39 176.69 1g3i n MET 360 N -2.09 1.61 -0.02 3.23 2.81 -0.96 -4.33 117.12 117.36 1g3i n MET 360 Ca 0.04 -0.88 -0.10 0.00 -1.81 0.00 0.00 57.70 54.96 1g3i n MET 360 Cb 0.29 -1.20 -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 0.08 1.44 1.02 3.04 0.00 -0.90 -2.73 120.51 122.46 1g3i n ALA 361 Ca 0.06 -0.76 0.03 0.00 0.00 0.00 0.00 53.44 52.77 1g3i n ALA 361 Cb 0.29 -0.83 0.17 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.08 0.00 0.34 0.00 -1.04 -1.13 -0.23 114.28 109.14 1g3i n THR 362 Ca -0.18 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 61.87 1g3i n THR 362 Cb 1.05 -0.42 -0.05 0.00 -1.82 0.00 0.00 70.33 69.09 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 -0.68 3.56 -0.17 -2.82 -0.58 -1.24 -4.98 120.64 113.73 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 -0.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 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 1.33 0.91 3.53 0.62 0.00 0.68 -4.72 105.19 107.53 1g3i n GLY 364 Ca 0.01 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 3.00 0.02 1.61 1.01 -1.10 -0.02 120.40 122.92 1g3i s VAL 365 Ca 0.00 -1.58 0.06 0.00 0.00 0.00 0.00 61.98 60.46 1g3i s VAL 365 Cb 0.00 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1g3i s VAL 365 CO 0.00 0.00 -0.16 0.21 0.00 0.00 0.00 175.10 175.15 1g3i s ASN 366 N -2.46 3.93 -0.06 3.32 3.04 0.22 -3.51 114.94 119.42 1g3i s ASN 366 Ca 0.21 -0.35 0.01 0.00 0.04 0.00 0.00 52.86 52.77 1g3i s ASN 366 Cb -0.10 -0.71 0.02 0.00 -1.54 0.00 0.00 41.25 38.93 1g3i s ASN 366 CO 0.12 0.27 -0.05 0.27 -3.04 0.00 0.00 177.10 174.68 1g3i s ILE 367 N -0.90 0.63 -0.25 -5.21 -4.36 -1.26 -2.93 121.20 106.92 1g3i s ILE 367 Ca 0.14 -0.14 -0.09 0.00 -0.26 0.00 0.00 60.65 60.30 1g3i s ILE 367 Cb -0.11 -0.66 -0.04 0.00 1.25 0.00 0.00 42.46 42.90 1g3i s ILE 367 CO 0.05 0.26 0.13 0.00 0.24 0.00 0.00 174.94 175.62 1g3i s ALA 368 N 1.14 3.45 -0.81 2.27 0.00 -0.88 -4.99 121.76 121.93 1g3i s ALA 368 Ca -0.07 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 1g3i s ALA 368 Cb -0.14 -2.25 0.20 0.00 0.00 0.00 0.00 23.12 20.93 1g3i s ALA 368 CO -0.01 -0.32 0.69 -0.06 0.00 0.00 0.00 175.76 176.06 1g3i s PHE 369 N 1.30 3.73 0.82 0.00 2.99 -1.26 0.39 117.98 125.95 1g3i s PHE 369 Ca 0.06 -2.74 -0.13 0.00 0.00 0.00 0.00 56.93 54.12 1g3i s PHE 369 Cb -0.14 -3.36 0.08 0.00 0.00 0.00 0.00 43.02 39.59 1g3i s PHE 369 CO 0.06 -0.83 1.11 -2.37 -0.00 0.00 0.00 175.22 173.19 1g3i n THR 370 N 3.00 1.79 -0.13 0.64 5.66 -1.09 -4.88 114.28 119.26 1g3i n THR 370 Ca 0.16 -0.21 -0.13 0.00 -3.05 0.00 0.00 64.05 60.82 1g3i n THR 370 Cb 0.39 -1.13 -0.02 0.00 -1.55 0.00 0.00 70.33 68.03 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 -0.97 1.27 0.00 1.09 1.35 -1.98 -2.66 112.91 111.01 1g3i h THR 371 Ca -0.46 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 1g3i h THR 371 Cb 1.30 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1g3i h THR 371 CO 0.45 0.51 0.00 -0.90 -0.25 0.00 0.00 175.52 175.33 1g3i n ASP 372 N -4.08 0.00 -0.15 5.36 3.85 -1.26 -1.77 116.55 118.50 1g3i n ASP 372 Ca -0.02 -0.34 0.02 0.00 -0.71 0.00 0.00 54.79 53.74 1g3i n ASP 372 Cb 0.52 -0.05 0.01 0.00 -1.35 0.00 0.00 41.12 40.26 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 -1.05 2.50 0.07 2.12 0.00 -1.02 -4.38 120.51 118.75 1g3i n ALA 373 Ca 0.10 -0.46 0.04 0.00 0.00 0.00 0.00 53.44 53.11 1g3i n ALA 373 Cb 0.06 -0.15 -0.04 0.00 0.00 0.00 0.00 19.45 19.32 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 0.72 0.40 0.08 0.00 2.07 -1.18 -3.31 116.25 115.04 1g3i h VAL 374 Ca 0.00 -1.73 -0.00 0.00 0.82 0.00 0.00 66.70 65.78 1g3i h VAL 374 Cb 0.17 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1g3i h VAL 374 CO 0.00 0.23 -0.04 0.11 0.02 0.00 0.00 177.57 177.89 1g3i h LYS 375 N 0.00 -0.10 -1.15 1.57 1.57 -1.77 -1.46 116.57 115.23 1g3i h LYS 375 Ca -0.10 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1g3i h LYS 375 Cb 1.39 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.73 1g3i h LYS 375 CO 0.04 0.34 0.00 1.63 -0.57 0.00 0.00 179.45 180.89 1g3i n LYS 376 N -4.92 0.77 0.00 3.15 5.02 -1.25 0.79 118.16 121.73 1g3i n LYS 376 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1g3i n LYS 376 Cb 0.25 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 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 -4.52 119.36 119.40 1g3i n ILE 377 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 1g3i n ILE 377 Cb 0.35 0.01 -0.14 0.00 -0.71 0.00 0.00 39.64 39.15 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 -0.17 1.92 0.68 -1.39 0.00 -0.56 -3.76 120.51 117.21 1g3i n ALA 378 Ca 0.00 -0.95 0.12 0.00 0.00 0.00 0.00 53.44 52.61 1g3i n ALA 378 Cb 0.01 -0.29 0.17 0.00 0.00 0.00 0.00 19.45 19.34 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 -2.50 0.22 -0.07 0.00 2.13 0.24 -3.02 120.64 117.63 1g3i n GLU 379 Ca -0.21 0.05 0.12 0.00 0.66 0.00 0.00 57.16 57.78 1g3i n GLU 379 Cb 0.90 -1.63 0.21 0.00 0.27 0.00 0.00 31.44 31.19 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 -1.75 2.47 0.02 4.31 0.00 -1.26 -2.18 120.51 122.12 1g3i n ALA 380 Ca 0.04 -0.75 0.06 0.00 0.00 0.00 0.00 53.44 52.79 1g3i n ALA 380 Cb 0.41 -0.90 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 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 1.18 2.46 -0.02 0.00 0.00 -1.22 -4.23 120.51 118.69 1g3i n ALA 381 Ca 0.16 -0.27 -0.22 0.00 0.00 0.00 0.00 53.44 53.12 1g3i n ALA 381 Cb 0.55 -0.39 -0.13 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.63 -3.19 116.94 116.04 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 0.50 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1g3i h PHE 382 CO 0.00 1.62 0.09 -2.13 -2.23 0.00 0.00 178.31 175.66 1g3i n ARG 383 N -3.90 0.07 -0.08 1.11 3.00 -0.93 -0.41 116.66 115.53 1g3i n ARG 383 Ca -0.29 0.54 -0.06 0.00 -0.00 0.00 0.00 57.85 58.04 1g3i n ARG 383 Cb 0.90 -1.83 -0.16 0.00 0.00 0.00 0.00 32.46 31.37 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 -1.87 1.15 0.31 5.15 0.31 -1.24 -4.28 118.33 117.87 1g3i n VAL 384 Ca -0.01 -0.79 0.12 0.00 -0.01 0.00 0.00 64.34 63.66 1g3i n VAL 384 Cb 0.11 -0.41 0.24 0.00 -0.91 0.00 0.00 33.84 32.87 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 -0.16 4.52 -0.26 -0.72 -3.06 115.58 115.90 1g3i h ASN 385 Ca -0.43 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.31 1g3i h ASN 385 Cb 2.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.26 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 -2.90 1.81 -0.79 0.81 2.13 -0.87 -3.92 120.64 116.91 1g3i n GLU 386 Ca 0.04 -1.22 0.03 0.00 0.66 0.00 0.00 57.16 56.68 1g3i n GLU 386 Cb 0.50 -1.42 0.05 0.00 0.27 0.00 0.00 31.44 30.84 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 0.45 0.35 -3.10 5.31 5.02 -1.16 -5.09 118.16 119.94 1g3i n LYS 387 Ca 0.17 -1.81 0.00 0.00 -2.02 0.00 0.00 58.31 54.65 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 -1.71 -0.18 -2.24 -1.19 -4.85 114.28 103.96 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 2.44 -3.12 -0.78 4.71 -1.26 -4.73 120.64 117.90 1g3i n GLU 389 Ca 0.00 0.87 -0.44 0.00 -0.01 0.00 0.00 57.16 57.58 1g3i n GLU 389 Cb 0.00 -2.61 0.00 0.00 -1.01 0.00 0.00 31.44 27.82 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 2.42 5.55 0.00 1.62 4.05 -1.26 -4.58 115.26 123.07 1g3i n ASN 390 Ca 0.11 -3.08 0.09 0.00 0.45 0.00 0.00 54.58 52.14 1g3i n ASN 390 Cb 0.34 -1.42 0.50 0.00 1.23 0.00 0.00 39.78 40.43 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 3.03 0.15 -4.18 -1.44 -5.35 -1.26 -4.61 119.36 105.70 1g3i n ILE 391 Ca 0.29 0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.81 1g3i n ILE 391 Cb 0.39 -0.76 0.00 0.00 -1.74 0.00 0.00 39.64 37.53 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 0.13 0.18 0.27 3.28 0.00 -1.18 -3.91 105.19 103.96 1g3i n GLY 392 Ca 0.12 -0.96 0.02 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.18 0.51 0.00 4.61 0.00 -1.84 0.15 119.26 122.50 1g3i h ALA 393 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1g3i h ALA 393 Cb 0.00 0.55 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1g3i h ALA 393 CO 0.00 -0.41 0.75 0.00 0.00 0.00 0.00 179.25 179.59 1g3i h ARG 394 N 0.01 0.00 -0.53 0.00 3.08 -1.84 1.39 114.38 116.49 1g3i h ARG 394 Ca 0.36 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.34 1g3i h ARG 394 Cb 0.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 1g3i h ARG 394 CO -0.75 0.00 0.06 -0.09 -1.07 0.00 0.00 179.97 178.13 1g3i h ARG 395 N 0.00 0.90 -0.43 0.04 9.65 -0.92 -2.95 114.38 120.67 1g3i h ARG 395 Ca 0.00 -0.25 0.09 0.00 -1.10 0.00 0.00 59.98 58.71 1g3i h ARG 395 Cb 1.50 -0.10 -0.08 0.00 -1.39 0.00 0.00 29.97 29.90 1g3i h ARG 395 CO 0.00 0.89 -0.09 -0.07 2.80 0.00 0.00 179.97 183.49 1g3i h LEU 396 N 0.78 -0.37 -0.32 3.80 3.38 0.17 -0.98 115.31 121.77 1g3i h LEU 396 Ca 0.16 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.32 1g3i h LEU 396 Cb 0.44 0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.36 1g3i h LEU 396 CO 0.01 -0.13 -0.32 0.45 0.09 0.00 0.00 178.44 178.54 1g3i h HIS 397 N 0.01 -0.89 0.00 1.13 3.86 -1.61 0.17 115.15 117.82 1g3i h HIS 397 Ca 0.21 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.47 1g3i h HIS 397 Cb 0.32 0.44 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 1g3i h HIS 397 CO -0.37 -0.38 -0.01 1.79 0.86 0.00 0.00 177.93 179.82 1g3i h THR 398 N -0.29 0.82 0.07 2.45 1.35 -1.35 -1.48 112.91 114.48 1g3i h THR 398 Ca 0.15 -0.04 -0.00 0.00 -0.55 0.00 0.00 66.41 65.97 1g3i h THR 398 Cb 0.54 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1g3i h THR 398 CO -0.48 0.01 -0.04 0.58 -0.25 0.00 0.00 175.52 175.35 1g3i h VAL 399 N 0.00 1.21 -0.18 6.82 2.07 0.53 -3.19 116.25 123.51 1g3i h VAL 399 Ca -0.00 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.23 1g3i h VAL 399 Cb 0.02 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1g3i h VAL 399 CO 0.00 0.31 0.03 0.24 0.02 0.00 0.00 177.57 178.17 1g3i h MET 400 N -0.73 0.10 -1.12 1.57 2.86 -0.57 -1.76 114.93 115.28 1g3i h MET 400 Ca -0.01 -0.01 0.31 0.00 -2.06 0.00 0.00 59.70 57.94 1g3i h MET 400 Cb 0.58 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 1g3i h MET 400 CO 0.02 0.06 0.78 1.49 1.06 0.00 0.00 176.91 180.32 1g3i h GLU 401 N 0.10 0.13 0.05 1.72 4.57 -1.37 1.14 114.58 120.92 1g3i h GLU 401 Ca 0.08 -0.01 -0.24 0.00 -1.18 0.00 0.00 59.36 58.02 1g3i h GLU 401 Cb 0.08 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 1g3i h GLU 401 CO -0.11 0.09 -1.11 -0.09 -1.18 0.00 0.00 179.01 176.60 1g3i h ARG 402 N 0.13 0.10 0.08 1.92 9.65 -1.33 -3.11 114.38 121.83 1g3i h ARG 402 Ca 0.57 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 59.28 1g3i h ARG 402 Cb 1.98 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.63 1g3i h ARG 402 CO -0.11 1.07 -0.04 1.25 2.80 0.00 0.00 179.97 184.93 1g3i h LEU 403 N 0.03 -0.09 -1.57 3.80 5.85 0.18 -3.12 115.31 120.37 1g3i h LEU 403 Ca -0.07 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1g3i h LEU 403 Cb 1.85 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 1g3i h LEU 403 CO 0.16 0.41 0.02 0.23 -0.34 0.00 0.00 178.44 178.92 1g3i n MET 404 N -4.90 1.48 0.17 1.25 0.00 0.10 -3.74 117.12 111.49 1g3i n MET 404 Ca -0.08 -0.45 0.08 0.00 0.00 0.00 0.00 57.70 57.24 1g3i n MET 404 Cb 0.26 -1.52 0.09 0.00 0.00 0.00 0.00 33.22 32.06 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 0.49 0.00 0.23 7.83 -0.00 -1.47 -1.97 116.42 121.52 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 0.84 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.14 1g3i h ASP 405 CO 0.09 0.21 -1.93 1.17 -0.00 0.00 0.00 179.24 178.78 1g3i n LYS 406 N -3.10 0.72 -0.05 0.28 0.00 -1.25 -4.40 118.16 110.36 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 0.62 -1.73 -0.13 0.00 0.00 0.00 0.00 35.03 33.79 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 0.05 1.45 0.00 3.15 2.10 -1.79 -3.35 117.51 119.11 1g3i h ILE 407 Ca -0.39 -2.34 0.00 0.00 1.08 0.00 0.00 64.86 63.22 1g3i h ILE 407 Cb 2.03 2.99 0.00 0.00 -1.09 0.00 0.00 36.82 40.75 1g3i h ILE 407 CO 0.08 0.56 0.31 -1.28 -1.08 0.00 0.00 178.15 176.74 1g3i h SER 408 N -0.84 0.00 0.01 2.19 0.87 -1.59 -2.69 113.55 111.50 1g3i h SER 408 Ca -0.14 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.21 1g3i h SER 408 Cb 1.25 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.18 1g3i h SER 408 CO -0.03 0.00 -1.14 0.15 -0.53 0.00 0.00 176.83 175.29 1g3i h PHE 409 N 0.00 0.03 -2.28 2.24 3.57 -1.77 -3.41 116.94 115.33 1g3i h PHE 409 Ca 0.00 -0.02 -0.74 0.00 3.53 0.00 0.00 57.97 60.74 1g3i h PHE 409 Cb 0.61 -0.00 -0.32 0.00 2.79 0.00 0.00 35.95 39.03 1g3i h PHE 409 CO 0.00 1.44 0.49 -1.13 -2.23 0.00 0.00 178.31 176.88 1g3i n SER 410 N -4.40 6.41 -0.01 0.41 3.41 -1.02 -4.53 113.62 113.88 1g3i n SER 410 Ca -0.29 -3.68 0.09 0.00 -0.26 0.00 0.00 58.87 54.73 1g3i n SER 410 Cb 0.68 -0.98 -0.15 0.00 -0.26 0.00 0.00 64.21 63.50 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 -0.08 2.69 0.05 7.33 0.00 -1.17 -4.15 120.51 125.18 1g3i n ALA 411 Ca 0.41 -0.48 -0.07 0.00 0.00 0.00 0.00 53.44 53.30 1g3i n ALA 411 Cb 0.30 -0.65 -0.05 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 -0.19 0.00 0.00 0.02 -1.89 -3.25 113.55 108.24 1g3i h SER 412 Ca -0.01 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1g3i h SER 412 Cb 0.92 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1g3i h SER 412 CO 0.00 0.36 0.00 0.47 -1.14 0.00 0.00 176.83 176.52 1g3i n ASP 413 N -4.91 0.00 -3.29 3.07 10.43 -1.26 -3.41 116.55 117.18 1g3i n ASP 413 Ca -0.05 -0.56 -0.26 0.00 2.57 0.00 0.00 54.79 56.49 1g3i n ASP 413 Cb 0.19 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 43.07 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 -0.89 0.44 -3.52 -1.24 2.81 -1.23 -5.12 117.12 108.37 1g3i n MET 414 Ca 0.08 -3.19 -0.35 0.00 -1.81 0.00 0.00 57.70 52.43 1g3i n MET 414 Cb 0.04 -1.44 -0.06 0.00 -0.71 0.00 0.00 33.22 31.05 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 -0.55 6.69 -0.82 7.83 2.47 -1.22 -4.52 114.94 124.81 1g3i s ASN 415 Ca 0.34 0.86 -0.04 0.00 0.42 0.00 0.00 52.86 54.44 1g3i s ASN 415 Cb 0.10 -2.20 0.00 0.00 -1.45 0.00 0.00 41.25 37.70 1g3i s ASN 415 CO -0.16 0.16 0.71 0.61 -3.72 0.00 0.00 177.10 174.71 1g3i n GLY 416 N 0.91 0.00 3.37 1.21 0.00 0.97 -4.99 105.19 106.67 1g3i n GLY 416 Ca -0.08 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.58 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 1.36 -0.37 1.61 -0.21 -1.25 -4.98 119.66 110.23 1g3i s GLN 417 Ca 0.28 -1.36 0.03 0.00 0.02 0.00 0.00 55.36 54.33 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 0.45 0.39 0.09 0.99 -2.12 0.00 0.00 175.29 175.10 1g3i s THR 418 N -1.35 2.42 -0.13 -0.19 2.01 -1.26 -0.61 115.64 116.52 1g3i s THR 418 Ca 0.14 -2.46 -0.05 0.00 0.31 0.00 0.00 61.69 59.63 1g3i s THR 418 Cb -0.09 -2.76 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1g3i s THR 418 CO 0.07 -0.64 0.05 -0.69 -0.69 0.00 0.00 174.62 172.73 1g3i s VAL 419 N 0.76 4.75 -0.15 3.82 1.01 -1.15 -5.00 120.40 124.45 1g3i s VAL 419 Ca 0.12 -0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 1g3i s VAL 419 Cb -0.20 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 1g3i s VAL 419 CO -0.07 0.55 0.71 0.20 0.00 0.00 0.00 175.10 176.49 1g3i s ASN 420 N -0.37 6.86 -0.54 3.32 0.01 -1.26 -2.07 114.94 120.88 1g3i s ASN 420 Ca 0.09 1.05 -0.15 0.00 -0.71 0.00 0.00 52.86 53.14 1g3i s ASN 420 Cb -0.12 -2.40 0.13 0.00 0.41 0.00 0.00 41.25 39.27 1g3i s ASN 420 CO 0.02 -0.26 0.49 -0.63 -1.51 0.00 0.00 177.10 175.21 1g3i s ILE 421 N 1.61 5.07 0.00 0.60 1.01 0.16 -4.91 121.20 124.74 1g3i s ILE 421 Ca 0.34 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.40 1g3i s ILE 421 Cb -0.17 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.05 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 5.13 1.71 -0.01 3.58 3.85 -1.26 -2.67 116.55 126.87 1g3i n ASP 422 Ca -0.12 -0.68 -0.04 0.00 -0.71 0.00 0.00 54.79 53.24 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 -0.53 -0.14 2.12 0.00 -1.90 0.29 119.26 120.11 1g3i h ALA 423 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1g3i h ALA 423 Cb 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1g3i h ALA 423 CO 0.00 -0.59 0.27 0.00 0.00 0.00 0.00 179.25 178.93 1g3i h ALA 424 N -1.04 1.58 0.09 0.00 0.00 -1.97 -2.06 119.26 115.86 1g3i h ALA 424 Ca 0.01 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.70 1g3i h ALA 424 Cb 0.19 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1g3i h ALA 424 CO -0.14 -0.34 -1.13 -0.92 0.00 0.00 0.00 179.25 176.72 1g3i h TYR 425 N 0.00 0.34 -0.67 0.00 5.03 -1.66 -3.19 116.97 116.82 1g3i h TYR 425 Ca 0.06 -0.25 0.02 0.00 2.58 0.00 0.00 58.73 61.15 1g3i h TYR 425 Cb 0.61 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.84 1g3i h TYR 425 CO 0.00 1.44 0.42 0.28 -1.32 0.00 0.00 178.16 178.98 1g3i h VAL 426 N -0.50 1.12 0.23 1.81 2.07 -0.50 -2.93 116.25 117.55 1g3i h VAL 426 Ca -0.25 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 1g3i h VAL 426 Cb 1.58 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1g3i h VAL 426 CO 0.03 0.15 -0.20 0.00 0.02 0.00 0.00 177.57 177.57 1g3i h ALA 427 N 1.27 -0.94 0.00 1.67 0.00 -1.53 -2.30 119.26 117.43 1g3i h ALA 427 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1g3i h ALA 427 Cb -0.02 0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1g3i h ALA 427 CO -0.09 -0.95 0.00 -3.47 0.00 0.00 0.00 179.25 174.74 1g3i n ASP 428 N -3.51 2.85 -0.04 0.00 -0.08 -1.20 -3.03 116.55 111.55 1g3i n ASP 428 Ca -0.05 -1.66 -0.07 0.00 -1.51 0.00 0.00 54.79 51.50 1g3i n ASP 428 Cb 0.18 -0.56 -0.03 0.00 2.34 0.00 0.00 41.12 43.05 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 1.23 2.10 -0.70 -1.67 0.00 -0.87 -4.99 120.51 115.61 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 0.33 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.13 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 -3.00 0.00 0.00 0.00 -0.00 -1.17 -4.85 117.00 107.98 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 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 1g3i n LEU 430 CO 0.05 -0.15 0.00 0.61 -0.00 0.00 0.00 177.39 177.90 1g3i n GLY 431 N 2.66 -0.09 3.39 1.47 0.00 -1.25 -5.13 105.19 106.24 1g3i n GLY 431 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 0.81 0.87 1.61 2.02 -1.26 -5.02 118.70 117.73 1g3i s GLU 432 Ca 0.00 0.20 -0.12 0.00 0.02 0.00 0.00 54.97 55.06 1g3i s GLU 432 Cb 0.00 0.38 0.08 0.00 0.10 0.00 0.00 34.13 34.69 1g3i s GLU 432 CO 0.00 -0.22 0.93 0.28 0.02 0.00 0.00 175.26 176.28 1g3i n VAL 433 N 1.47 0.88 -3.99 2.63 0.31 -1.26 -5.03 118.33 113.35 1g3i n VAL 433 Ca -0.19 -0.16 -0.33 0.00 -0.01 0.00 0.00 64.34 63.65 1g3i n VAL 433 Cb 0.56 -0.95 -0.14 0.00 -0.91 0.00 0.00 33.84 32.40 1g3i n VAL 433 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1g3i s VAL 434 N -2.33 2.56 -0.52 2.52 1.01 -1.26 -5.02 120.40 117.35 1g3i s VAL 434 Ca 0.67 -1.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 1g3i s VAL 434 Cb -0.26 -2.52 -0.19 0.00 0.00 0.00 0.00 36.38 33.42 1g3i s VAL 434 CO 0.58 -0.11 3.35 -0.62 0.00 0.00 0.00 175.10 178.30 1g3i n GLU 435 N 4.51 2.58 -0.24 2.72 1.02 -1.26 -4.92 120.64 125.05 1g3i n GLU 435 Ca -0.12 -1.49 0.00 0.00 -0.02 0.00 0.00 57.16 55.52 1g3i n GLU 435 Cb 0.43 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 1g3i n GLU 435 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1g3i n ASN 436 N 2.67 0.00 0.00 1.62 4.05 -1.26 -4.75 115.26 117.59 1g3i n ASN 436 Ca 0.54 0.15 0.00 0.00 0.45 0.00 0.00 54.58 55.72 1g3i n ASN 436 Cb 0.68 -0.23 0.00 0.00 1.23 0.00 0.00 39.78 41.47 1g3i n ASN 436 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 177.26 172.37 1g3i n GLU 437 N 0.80 0.00 0.00 1.20 0.28 -1.26 -4.68 120.64 116.98 1g3i n GLU 437 Ca 0.00 0.65 0.00 0.00 -0.16 0.00 0.00 57.16 57.65 1g3i n GLU 437 Cb 0.00 -1.01 0.00 0.00 1.43 0.00 0.00 31.44 31.86 1g3i n GLU 437 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1g3i n ASP 438 N -2.38 0.00 0.00 -1.84 -0.08 -1.26 -3.97 116.55 107.03 1g3i n ASP 438 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1g3i n ASP 438 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1g3i n ASP 438 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1g3i n LEU 439 N 0.00 0.00 0.00 -2.67 -0.00 -1.26 -2.56 117.00 110.51 1g3i n LEU 439 Ca 0.00 1.00 0.00 0.00 -0.00 0.00 0.00 56.01 57.01 1g3i n LEU 439 Cb 0.00 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 42.92 1g3i n LEU 439 CO 0.00 -0.50 0.00 -1.20 -0.00 0.00 0.00 177.39 175.69 1g3i n SER 440 N -2.54 0.00 0.00 1.45 7.64 -1.25 -3.45 113.62 115.47 1g3i n SER 440 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1g3i n SER 440 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1g3i n SER 440 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1g3i n ARG 441 N -1.85 0.00 -0.87 1.43 1.74 -1.06 -4.90 116.66 111.15 1g3i n ARG 441 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 1g3i n ARG 441 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 1g3i n ARG 441 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1g3i n PHE 442 N 0.00 0.06 -3.64 -1.55 -1.74 -1.22 -4.70 117.46 104.67 1g3i n PHE 442 Ca 0.00 -0.18 -0.07 0.00 -0.56 0.00 0.00 57.45 56.64 1g3i n PHE 442 Cb 0.00 -0.68 -0.07 0.00 1.52 0.00 0.00 39.48 40.25 1g3i n PHE 442 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 1g3i s ILE 443 N 5.02 0.00 0.00 1.97 -1.09 -1.25 -4.84 121.20 121.01 1g3i s ILE 443 Ca 0.28 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.70 1g3i s ILE 443 Cb 0.05 -1.00 0.00 0.00 -1.58 0.00 0.00 42.46 39.93 1g3i s ILE 443 CO 0.13 0.00 0.01 0.00 -1.23 0.00 0.00 174.94 173.85