#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ie0 s ARG 2 N 0.00 1.88 -0.19 2.12 0.52 -0.42 0.15 118.95 123.00 3ie0 s ARG 2 Ca 0.00 -0.80 -0.01 0.00 -0.52 0.00 0.00 55.73 54.40 3ie0 s ARG 2 Cb 0.00 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.69 3ie0 s ARG 2 CO 0.00 0.46 -0.12 -1.50 0.02 0.00 0.00 175.30 174.16 3ie0 s ILE 3 N -0.46 2.79 -0.37 1.52 1.10 -0.29 -0.06 121.20 125.43 3ie0 s ILE 3 Ca 0.07 -0.70 -0.08 0.00 -0.51 0.00 0.00 60.65 59.43 3ie0 s ILE 3 Cb -0.09 -2.22 0.04 0.00 0.15 0.00 0.00 42.46 40.34 3ie0 s ILE 3 CO -0.00 0.48 0.17 -0.69 -2.11 0.00 0.00 174.94 172.79 3ie0 s VAL 4 N 1.27 4.12 0.03 4.00 1.01 0.17 -0.91 120.40 130.10 3ie0 s VAL 4 Ca 0.03 -1.10 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 3ie0 s VAL 4 Cb -0.14 -3.36 -0.08 0.00 0.00 0.00 0.00 36.38 32.80 3ie0 s VAL 4 CO -0.06 -0.27 1.74 -2.84 0.00 0.00 0.00 175.10 173.68 3ie0 s PRO 5 N 1.45 4.17 -0.11 2.72 0.02 -1.26 -1.20 135.00 140.80 3ie0 s PRO 5 Ca 0.00 2.38 0.14 0.00 0.02 0.00 0.00 61.00 63.55 3ie0 s PRO 5 Cb -0.20 -3.83 0.30 0.00 0.02 0.00 0.00 34.50 30.78 3ie0 s PRO 5 CO 0.04 -0.83 1.15 1.19 -0.33 0.00 0.00 177.00 178.22 3ie0 n PHE 6 N 6.47 0.00 0.00 6.54 3.72 -0.38 -0.25 117.46 133.55 3ie0 n PHE 6 Ca 0.17 -0.91 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 3ie0 n PHE 6 Cb 0.41 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 3ie0 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ie0 n GLY 7 N -0.84 -0.48 3.76 1.37 0.00 -1.23 -4.55 105.19 103.22 3ie0 n GLY 7 Ca 0.13 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 3ie0 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie0 n ALA 8 N -0.02 -1.11 -2.65 4.61 0.00 0.13 -4.59 120.51 116.89 3ie0 n ALA 8 Ca 0.00 -0.13 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 3ie0 n ALA 8 Cb 0.00 -1.77 -0.10 0.00 0.00 0.00 0.00 19.45 17.58 3ie0 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ie0 s ALA 9 N -2.76 3.55 0.00 0.00 0.00 -1.26 0.70 121.76 121.99 3ie0 s ALA 9 Ca 0.53 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3ie0 s ALA 9 Cb -0.31 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.44 3ie0 s ALA 9 CO 0.65 -0.35 0.00 0.54 0.00 0.00 0.00 175.76 176.61 3ie0 n ARG 10 N 4.62 -0.35 -2.29 0.00 3.00 -1.25 -4.83 116.66 115.56 3ie0 n ARG 10 Ca -0.15 0.09 -0.03 0.00 -0.01 0.00 0.00 57.85 57.75 3ie0 n ARG 10 Cb 0.52 -4.56 -0.01 0.00 0.00 0.00 0.00 32.46 28.41 3ie0 n ARG 10 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3ie0 n GLU 11 N -1.48 0.32 -0.00 5.56 0.28 -1.01 -3.02 120.64 121.28 3ie0 n GLU 11 Ca 0.00 -0.43 0.04 0.00 -0.16 0.00 0.00 57.16 56.61 3ie0 n GLU 11 Cb 0.09 0.32 -0.06 0.00 1.43 0.00 0.00 31.44 33.22 3ie0 n GLU 11 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3ie0 n VAL 12 N -0.09 0.00 -4.32 3.84 0.24 -1.26 0.21 118.33 116.95 3ie0 n VAL 12 Ca 0.00 -0.26 -0.27 0.00 -2.04 0.00 0.00 64.34 61.78 3ie0 n VAL 12 Cb 0.08 0.72 -0.08 0.00 -1.47 0.00 0.00 33.84 33.09 3ie0 n VAL 12 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ie0 s THR 13 N -2.14 2.02 0.00 3.34 -4.23 -1.26 -4.70 115.64 108.67 3ie0 s THR 13 Ca 0.01 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3ie0 s THR 13 Cb 0.06 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 71.09 3ie0 s THR 13 CO 0.36 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 3ie0 n GLY 14 N -1.22 0.53 3.12 3.99 0.00 -0.60 -0.69 105.19 110.33 3ie0 n GLY 14 Ca -0.05 0.00 -0.55 0.00 0.00 0.00 0.00 46.02 45.42 3ie0 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ie0 n SER 15 N 0.00 0.67 -3.12 1.61 7.64 -1.21 -4.08 113.62 115.12 3ie0 n SER 15 Ca 0.00 1.00 0.05 0.00 1.01 0.00 0.00 58.87 60.94 3ie0 n SER 15 Cb 0.00 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 3ie0 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ie0 s ALA 16 N 1.66 -4.01 -0.25 -0.43 0.00 -1.26 0.98 121.76 118.45 3ie0 s ALA 16 Ca 0.85 1.33 -0.05 0.00 0.00 0.00 0.00 51.96 54.10 3ie0 s ALA 16 Cb -1.21 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 19.07 3ie0 s ALA 16 CO 0.62 -2.12 0.00 -1.01 0.00 0.00 0.00 175.76 173.25 3ie0 s HIS 17 N 2.86 3.05 -0.17 0.00 0.09 -0.41 -1.25 115.29 119.45 3ie0 s HIS 17 Ca 0.26 -1.00 -0.29 0.00 -0.00 0.00 0.00 55.06 54.03 3ie0 s HIS 17 Cb -0.02 -2.15 -0.00 0.00 -0.00 0.00 0.00 32.58 30.41 3ie0 s HIS 17 CO -0.22 -0.57 1.02 -1.17 -0.00 0.00 0.00 174.74 173.80 3ie0 s LEU 18 N 1.47 4.17 -0.26 0.89 2.96 -0.34 -0.74 118.68 126.84 3ie0 s LEU 18 Ca 0.04 1.45 -0.10 0.00 -0.22 0.00 0.00 54.13 55.30 3ie0 s LEU 18 Cb -0.16 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 3ie0 s LEU 18 CO -0.01 -0.56 0.16 -0.22 -1.32 0.00 0.00 176.35 174.41 3ie0 s LEU 19 N 2.60 4.01 -0.34 -0.68 2.96 0.24 0.45 118.68 127.93 3ie0 s LEU 19 Ca 0.46 0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 54.36 3ie0 s LEU 19 Cb -0.17 -2.09 0.05 0.00 0.50 0.00 0.00 46.19 44.48 3ie0 s LEU 19 CO 0.12 0.01 0.09 -0.76 -1.32 0.00 0.00 176.35 174.49 3ie0 s LEU 20 N 1.40 4.33 -0.07 -0.68 1.43 0.92 -1.07 118.68 124.94 3ie0 s LEU 20 Ca 0.07 -1.30 -0.32 0.00 -1.03 0.00 0.00 54.13 51.55 3ie0 s LEU 20 Cb -0.15 -1.82 0.12 0.00 0.03 0.00 0.00 46.19 44.37 3ie0 s LEU 20 CO 0.07 -0.34 1.13 0.00 0.23 0.00 0.00 176.35 177.44 3ie0 s ALA 21 N 1.33 -2.01 0.00 4.21 0.00 -0.41 -1.30 121.76 123.58 3ie0 s ALA 21 Ca -0.02 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.06 3ie0 s ALA 21 Cb -0.20 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3ie0 s ALA 21 CO 0.01 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.41 3ie0 n GLY 22 N -0.25 0.11 1.80 0.00 0.00 -1.26 -0.01 105.19 105.58 3ie0 n GLY 22 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 3ie0 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie0 n GLY 23 N 0.08 0.63 3.20 -0.02 0.00 -1.26 -2.96 105.19 104.87 3ie0 n GLY 23 Ca 0.00 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.23 3ie0 n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie0 s ARG 24 N -4.68 0.86 -0.26 1.61 1.81 0.99 -4.96 118.95 114.32 3ie0 s ARG 24 Ca 0.02 -1.07 0.02 0.00 -1.72 0.00 0.00 55.73 52.98 3ie0 s ARG 24 Cb -0.01 0.32 0.07 0.00 -0.45 0.00 0.00 34.95 34.88 3ie0 s ARG 24 CO 0.03 -0.27 -0.05 1.03 -0.68 0.00 0.00 175.30 175.36 3ie0 s ARG 25 N -3.90 1.75 -0.09 3.54 0.52 -1.26 -1.28 118.95 118.22 3ie0 s ARG 25 Ca 0.09 -1.22 0.03 0.00 -0.52 0.00 0.00 55.73 54.10 3ie0 s ARG 25 Cb 0.05 -2.73 -0.01 0.00 0.52 0.00 0.00 34.95 32.78 3ie0 s ARG 25 CO -0.08 -0.66 -0.18 0.08 0.02 0.00 0.00 175.30 174.48 3ie0 s VAL 26 N 1.25 2.62 -0.41 3.52 1.01 -0.23 -0.76 120.40 127.41 3ie0 s VAL 26 Ca -0.04 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 3ie0 s VAL 26 Cb -0.19 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.18 3ie0 s VAL 26 CO -0.07 0.56 0.29 -0.22 0.00 0.00 0.00 175.10 175.65 3ie0 s LEU 27 N -0.02 5.06 -0.54 3.92 1.98 -0.32 0.83 118.68 129.60 3ie0 s LEU 27 Ca -0.06 -0.96 -0.25 0.00 -2.89 0.00 0.00 54.13 49.97 3ie0 s LEU 27 Cb -0.15 -2.13 0.04 0.00 0.66 0.00 0.00 46.19 44.61 3ie0 s LEU 27 CO 0.05 -0.45 1.00 -0.76 -1.89 0.00 0.00 176.35 174.29 3ie0 s LEU 28 N 1.65 3.93 0.28 -0.68 1.02 0.08 -1.28 118.68 123.68 3ie0 s LEU 28 Ca 0.04 -0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.06 3ie0 s LEU 28 Cb -0.19 -3.00 0.00 0.00 0.02 0.00 0.00 46.19 43.01 3ie0 s LEU 28 CO 0.09 -1.24 0.00 0.47 0.02 0.00 0.00 176.35 175.69 3ie0 n ASP 29 N 7.62 -3.79 -2.72 2.29 8.00 0.22 -1.29 116.55 126.87 3ie0 n ASP 29 Ca 0.04 0.64 -0.09 0.00 0.71 0.00 0.00 54.79 56.09 3ie0 n ASP 29 Cb 0.48 -2.30 0.09 0.00 -0.02 0.00 0.00 41.12 39.37 3ie0 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ie0 s GLY 31 N -1.25 1.61 0.17 0.00 0.00 0.28 -0.23 107.32 107.90 3ie0 s GLY 31 Ca 0.22 -0.72 0.05 0.00 0.00 0.00 0.00 44.72 44.27 3ie0 s GLY 31 CO -0.06 -0.25 0.17 -3.16 0.00 0.00 0.00 173.10 169.80 3ie0 s MET 32 N -5.50 3.00 0.26 2.90 0.23 -1.15 -3.89 119.30 115.14 3ie0 s MET 32 Ca 0.62 -0.84 -0.21 0.00 -1.03 0.00 0.00 55.69 54.23 3ie0 s MET 32 Cb -0.11 -2.70 -0.09 0.00 -1.53 0.00 0.00 34.83 30.41 3ie0 s MET 32 CO 0.48 0.48 0.78 -0.06 -2.03 0.00 0.00 175.02 174.67 3ie0 s PHE 33 N -1.78 3.63 0.36 3.16 0.08 -1.26 -1.55 117.98 120.62 3ie0 s PHE 33 Ca 0.32 1.46 0.04 0.00 0.12 0.00 0.00 56.93 58.87 3ie0 s PHE 33 Cb -0.10 -2.68 -0.06 0.00 -0.57 0.00 0.00 43.02 39.61 3ie0 s PHE 33 CO 0.24 0.28 0.06 -0.65 -0.10 0.00 0.00 175.22 175.05 3ie0 s GLN 34 N -2.10 1.77 5.79 0.44 -0.21 -1.26 -3.88 119.66 120.20 3ie0 s GLN 34 Ca 0.46 -2.01 0.00 0.00 0.02 0.00 0.00 55.36 53.83 3ie0 s GLN 34 Cb -0.16 -0.98 0.00 0.00 1.00 0.00 0.00 33.01 32.86 3ie0 s GLN 34 CO 0.21 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.57 3ie0 n GLY 35 N -0.80 3.72 0.00 3.09 0.00 -1.26 -1.72 105.19 108.22 3ie0 n GLY 35 Ca -0.04 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.19 3ie0 n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ie0 n LYS 36 N 14.00 0.22 0.00 1.61 4.01 -1.26 -2.60 118.16 134.14 3ie0 n LYS 36 Ca 0.00 0.08 0.00 0.00 -0.51 0.00 0.00 58.31 57.88 3ie0 n LYS 36 Cb 0.00 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.02 3ie0 n LYS 36 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3ie0 n GLU 37 N -1.11 5.30 -0.46 1.97 -0.58 -0.70 -4.81 120.64 120.25 3ie0 n GLU 37 Ca 0.06 -0.06 0.41 0.00 -0.42 0.00 0.00 57.16 57.14 3ie0 n GLU 37 Cb 0.05 -0.52 0.64 0.00 -0.57 0.00 0.00 31.44 31.04 3ie0 n GLU 37 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3ie0 h GLU 38 N 0.00 0.00 0.00 3.49 4.22 -1.51 0.51 114.58 121.29 3ie0 h GLU 38 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 3ie0 h GLU 38 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ie0 h GLU 38 CO 0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 179.01 176.76 3ie0 h ALA 39 N 0.80 1.23 0.00 2.92 0.00 -1.87 -2.70 119.26 119.63 3ie0 h ALA 39 Ca 0.71 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.52 3ie0 h ALA 39 Cb 3.32 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 21.09 3ie0 h ALA 39 CO -0.01 0.09 -0.15 0.00 0.00 0.00 0.00 179.25 179.19 3ie0 h ARG 40 N 0.00 0.00 0.00 0.00 3.08 -1.25 -2.30 114.38 113.90 3ie0 h ARG 40 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ie0 h ARG 40 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3ie0 h ARG 40 CO 0.01 0.15 0.00 0.09 -1.07 0.00 0.00 179.97 179.15 3ie0 n ASN 41 N -3.82 0.00 -1.00 7.04 5.03 -1.02 0.56 115.26 122.05 3ie0 n ASN 41 Ca -0.02 0.43 0.11 0.00 0.87 0.00 0.00 54.58 55.97 3ie0 n ASN 41 Cb 0.25 -0.44 0.17 0.00 -1.02 0.00 0.00 39.78 38.73 3ie0 n ASN 41 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3ie0 n HIS 42 N -1.44 0.35 -4.16 3.10 8.25 -0.86 -4.90 115.22 115.55 3ie0 n HIS 42 Ca 0.01 -0.19 -0.27 0.00 -0.26 0.00 0.00 57.72 57.00 3ie0 n HIS 42 Cb 0.03 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 3ie0 n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ie0 s ALA 43 N -1.48 3.33 0.64 -1.41 0.00 0.19 -5.09 121.76 117.94 3ie0 s ALA 43 Ca 0.33 -1.28 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 3ie0 s ALA 43 Cb 0.20 -1.14 -0.06 0.00 0.00 0.00 0.00 23.12 22.12 3ie0 s ALA 43 CO 0.28 0.53 0.57 -0.35 0.00 0.00 0.00 175.76 176.79 3ie0 n PRO 44 N -0.06 0.46 -0.08 0.00 -0.04 -1.26 -4.92 135.00 129.09 3ie0 n PRO 44 Ca -0.09 0.19 -0.10 0.00 -0.04 0.00 0.00 63.50 63.45 3ie0 n PRO 44 Cb 0.54 -1.80 -0.04 0.00 -0.04 0.00 0.00 33.50 32.17 3ie0 n PRO 44 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3ie0 h PHE 45 N 0.00 0.43 0.00 0.54 0.04 -1.98 -3.47 116.94 112.50 3ie0 h PHE 45 Ca -0.46 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.27 3ie0 h PHE 45 Cb 1.37 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 39.40 3ie0 h PHE 45 CO 0.33 0.48 0.00 0.41 -0.60 0.00 0.00 178.31 178.93 3ie0 n GLY 46 N -0.59 1.13 3.42 -1.45 0.00 -1.26 -4.96 105.19 101.48 3ie0 n GLY 46 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 3ie0 n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ie0 s PHE 47 N -1.93 -0.50 -0.26 1.61 -0.71 -1.26 -5.11 117.98 109.83 3ie0 s PHE 47 Ca 0.00 0.81 -0.28 0.00 -1.04 0.00 0.00 56.93 56.42 3ie0 s PHE 47 Cb 0.00 0.31 -0.03 0.00 -1.21 0.00 0.00 43.02 42.09 3ie0 s PHE 47 CO 0.00 -0.55 1.96 0.34 -1.34 0.00 0.00 175.22 175.64 3ie0 s ASP 48 N -1.31 5.77 0.31 1.98 -1.08 -1.26 -4.81 116.67 116.27 3ie0 s ASP 48 Ca -0.11 1.62 0.24 0.00 -0.52 0.00 0.00 52.55 53.78 3ie0 s ASP 48 Cb -0.02 -2.52 1.12 0.00 -1.46 0.00 0.00 42.92 40.04 3ie0 s ASP 48 CO 0.07 -1.75 1.73 1.55 0.52 0.00 0.00 175.17 177.29 3ie0 h PRO 49 N 13.52 0.00 0.00 4.34 0.13 -1.92 -1.80 132.00 146.27 3ie0 h PRO 49 Ca -0.37 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.72 3ie0 h PRO 49 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3ie0 h PRO 49 CO 1.00 0.00 -0.20 0.87 -0.23 0.00 0.00 178.00 179.44 3ie0 h LYS 50 N 0.00 0.00 -0.02 0.86 1.57 -1.88 -3.20 116.57 113.91 3ie0 h LYS 50 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ie0 h LYS 50 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3ie0 h LYS 50 CO 0.00 0.19 0.00 0.39 -0.57 0.00 0.00 179.45 179.46 3ie0 n GLU 51 N -3.14 1.32 -2.69 3.15 -0.58 -0.68 -4.86 120.64 113.15 3ie0 n GLU 51 Ca 0.03 -0.46 -0.39 0.00 -0.42 0.00 0.00 57.16 55.92 3ie0 n GLU 51 Cb 0.61 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.95 3ie0 n GLU 51 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ie0 s VAL 52 N -1.99 3.98 -0.14 2.62 1.01 -1.21 -4.74 120.40 119.94 3ie0 s VAL 52 Ca 0.41 1.83 0.17 0.00 0.00 0.00 0.00 61.98 64.40 3ie0 s VAL 52 Cb 0.21 -4.10 -0.24 0.00 0.00 0.00 0.00 36.38 32.24 3ie0 s VAL 52 CO 0.34 0.32 0.32 0.47 0.00 0.00 0.00 175.10 176.54 3ie0 n ASP 53 N 1.00 0.28 -3.59 3.32 8.00 0.06 -4.84 116.55 120.78 3ie0 n ASP 53 Ca 0.00 0.13 -0.04 0.00 0.71 0.00 0.00 54.79 55.59 3ie0 n ASP 53 Cb 0.48 0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 42.34 3ie0 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ie0 s ALA 54 N -2.66 -2.03 0.02 2.24 0.00 -1.20 -4.42 121.76 113.71 3ie0 s ALA 54 Ca -0.08 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.16 3ie0 s ALA 54 Cb 0.07 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 3ie0 s ALA 54 CO 0.83 -0.71 -0.06 0.14 0.00 0.00 0.00 175.76 175.96 3ie0 s VAL 55 N -2.60 0.40 -0.05 0.00 -7.23 -1.07 -1.18 120.40 108.68 3ie0 s VAL 55 Ca 0.09 -0.73 0.06 0.00 -1.81 0.00 0.00 61.98 59.60 3ie0 s VAL 55 Cb -0.00 -0.44 -0.02 0.00 0.56 0.00 0.00 36.38 36.48 3ie0 s VAL 55 CO -0.05 -0.23 -0.24 -0.76 -0.31 0.00 0.00 175.10 173.51 3ie0 s LEU 56 N -1.03 2.15 -0.18 1.32 1.02 -0.40 -1.15 118.68 120.41 3ie0 s LEU 56 Ca -0.07 -0.46 -0.04 0.00 0.02 0.00 0.00 54.13 53.59 3ie0 s LEU 56 Cb -0.07 -1.39 -0.02 0.00 0.02 0.00 0.00 46.19 44.73 3ie0 s LEU 56 CO 0.00 0.28 -0.04 -0.76 0.02 0.00 0.00 176.35 175.85 3ie0 s LEU 57 N -0.35 3.07 0.18 1.79 1.02 -0.43 0.73 118.68 124.68 3ie0 s LEU 57 Ca 0.02 -0.25 0.08 0.00 0.02 0.00 0.00 54.13 54.01 3ie0 s LEU 57 Cb -0.12 -1.76 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 3ie0 s LEU 57 CO 0.02 0.09 1.40 0.71 0.02 0.00 0.00 176.35 178.58 3ie0 h THR 58 N 5.40 1.60 -2.48 5.49 1.35 -1.89 -3.43 112.91 118.95 3ie0 h THR 58 Ca -0.34 -2.96 0.14 0.00 -0.55 0.00 0.00 66.41 62.70 3ie0 h THR 58 Cb 1.18 2.60 -0.09 0.00 -1.73 0.00 0.00 68.15 70.12 3ie0 h THR 58 CO 0.60 0.84 0.43 -1.38 -0.25 0.00 0.00 175.52 175.76 3ie0 s HIS 59 N -3.01 -0.19 -1.12 4.73 -3.43 -1.26 -0.34 115.29 110.67 3ie0 s HIS 59 Ca 0.00 -0.12 0.19 0.00 -0.80 0.00 0.00 55.06 54.33 3ie0 s HIS 59 Cb 0.11 0.64 0.84 0.00 -1.43 0.00 0.00 32.58 32.74 3ie0 s HIS 59 CO 0.80 -0.87 1.60 0.00 -2.00 0.00 0.00 174.74 174.27 3ie0 n ALA 60 N -0.44 1.90 -1.52 -1.38 0.00 -1.26 -4.58 120.51 113.22 3ie0 n ALA 60 Ca -0.07 -0.07 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 3ie0 n ALA 60 Cb 0.61 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 18.82 3ie0 n ALA 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ie0 n HIS 61 N -1.44 0.98 0.27 0.00 8.25 -1.26 -4.71 115.22 117.32 3ie0 n HIS 61 Ca 0.06 0.41 0.15 0.00 -0.26 0.00 0.00 57.72 58.08 3ie0 n HIS 61 Cb 0.20 -2.14 0.77 0.00 1.12 0.00 0.00 29.99 29.94 3ie0 n HIS 61 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3ie0 h LEU 62 N 0.14 0.00 -3.39 2.41 5.85 -1.95 -2.08 115.31 116.29 3ie0 h LEU 62 Ca -0.49 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 57.99 3ie0 h LEU 62 Cb 1.35 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.23 3ie0 h LEU 62 CO 0.49 0.09 0.32 -0.90 -0.34 0.00 0.00 178.44 178.10 3ie0 n ASP 63 N -3.46 4.11 0.00 1.25 5.75 -1.26 -1.23 116.55 121.70 3ie0 n ASP 63 Ca -0.01 -3.08 0.00 0.00 -0.01 0.00 0.00 54.79 51.69 3ie0 n ASP 63 Cb 0.24 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.61 3ie0 n ASP 63 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3ie0 n HIS 64 N -0.29 0.00 0.00 2.11 8.25 -1.00 -3.36 115.22 120.93 3ie0 n HIS 64 Ca 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.84 3ie0 n HIS 64 Cb 1.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.39 3ie0 n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ie0 n VAL 65 N -0.08 0.00 -0.40 1.59 0.31 -0.82 -0.20 118.33 118.73 3ie0 n VAL 65 Ca 0.00 -0.01 0.33 0.00 -0.01 0.00 0.00 64.34 64.65 3ie0 n VAL 65 Cb 0.00 0.45 0.60 0.00 -0.91 0.00 0.00 33.84 33.99 3ie0 n VAL 65 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3ie0 h GLY 66 N 0.00 1.48 -1.41 2.92 0.00 -1.22 0.16 103.07 104.99 3ie0 h GLY 66 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3ie0 h GLY 66 CO 0.00 -0.41 0.00 0.54 0.00 0.00 0.00 176.54 176.67 3ie0 n ARG 67 N -4.78 2.06 -0.10 4.80 1.74 0.68 -4.44 116.66 116.62 3ie0 n ARG 67 Ca 0.35 -1.58 -0.06 0.00 -0.77 0.00 0.00 57.85 55.79 3ie0 n ARG 67 Cb 1.29 -1.45 0.01 0.00 -1.02 0.00 0.00 32.46 31.29 3ie0 n ARG 67 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3ie0 h LEU 68 N 3.31 0.08 -2.23 0.55 5.85 -0.30 -1.29 115.31 121.27 3ie0 h LEU 68 Ca 0.00 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3ie0 h LEU 68 Cb 0.72 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 3ie0 h LEU 68 CO 0.00 0.08 0.08 -0.65 -0.34 0.00 0.00 178.44 177.61 3ie0 h PRO 69 N 0.24 0.00 -0.26 5.25 0.11 -1.77 -1.10 132.00 134.46 3ie0 h PRO 69 Ca 0.16 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.13 3ie0 h PRO 69 Cb 0.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 3ie0 h PRO 69 CO -0.18 0.00 -0.39 -0.22 -0.21 0.00 0.00 178.00 177.00 3ie0 h LYS 70 N 0.00 0.73 -0.62 1.05 3.64 -1.54 -1.48 116.57 118.35 3ie0 h LYS 70 Ca 0.04 -0.43 0.11 0.00 -1.27 0.00 0.00 60.65 59.11 3ie0 h LYS 70 Cb 0.20 0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 31.98 3ie0 h LYS 70 CO -0.00 1.05 0.16 1.25 -2.27 0.00 0.00 179.45 179.64 3ie0 h LEU 71 N 0.46 0.06 -0.28 5.20 5.85 -0.76 0.59 115.31 126.43 3ie0 h LEU 71 Ca 0.03 0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.73 3ie0 h LEU 71 Cb 0.98 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 3ie0 h LEU 71 CO 0.09 0.03 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.64 3ie0 h PHE 72 N 0.30 0.87 -0.52 1.25 -1.00 -1.42 -2.75 116.94 113.66 3ie0 h PHE 72 Ca 0.33 -0.27 0.15 0.00 2.81 0.00 0.00 57.97 60.98 3ie0 h PHE 72 Cb 0.48 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 3ie0 h PHE 72 CO -0.23 1.03 0.37 -0.09 -1.61 0.00 0.00 178.31 177.78 3ie0 h ARG 73 N 0.46 0.01 -0.64 1.51 2.43 -0.09 -0.95 114.38 117.11 3ie0 h ARG 73 Ca 0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3ie0 h ARG 73 Cb 0.90 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3ie0 h ARG 73 CO 0.08 0.01 0.00 0.39 -1.51 0.00 0.00 179.97 178.94 3ie0 n GLU 74 N -4.39 3.74 0.00 0.20 1.02 0.07 -4.96 120.64 116.33 3ie0 n GLU 74 Ca 0.10 -2.53 0.00 0.00 -0.02 0.00 0.00 57.16 54.71 3ie0 n GLU 74 Cb 0.59 -1.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 3ie0 n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie0 n GLY 75 N 0.81 3.58 3.51 0.62 0.00 -0.36 -4.52 105.19 108.83 3ie0 n GLY 75 Ca 0.23 -0.92 -0.56 0.00 0.00 0.00 0.00 46.02 44.76 3ie0 n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ie0 n TYR 76 N 0.00 0.72 -2.32 1.61 4.19 -1.06 -4.85 117.16 115.45 3ie0 n TYR 76 Ca 0.00 0.95 0.04 0.00 3.31 0.00 0.00 57.90 62.21 3ie0 n TYR 76 Cb 0.00 -2.13 0.06 0.00 0.49 0.00 0.00 39.34 37.76 3ie0 n TYR 76 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3ie0 n ARG 77 N 1.64 0.32 -2.77 2.98 5.12 -1.26 -4.42 116.66 118.28 3ie0 n ARG 77 Ca 0.19 -2.27 -0.22 0.00 -1.93 0.00 0.00 57.85 53.62 3ie0 n ARG 77 Cb 0.13 -0.33 0.10 0.00 -1.16 0.00 0.00 32.46 31.19 3ie0 n ARG 77 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3ie0 s GLY 78 N -2.25 1.74 0.77 -0.13 0.00 -1.26 -5.10 107.32 101.08 3ie0 s GLY 78 Ca 0.35 -1.94 -0.11 0.00 0.00 0.00 0.00 44.72 43.02 3ie0 s GLY 78 CO -0.15 -1.39 1.08 2.56 0.00 0.00 0.00 173.10 175.20 3ie0 s PRO 79 N -4.98 2.33 -0.23 2.90 0.04 -1.26 -4.85 135.00 128.94 3ie0 s PRO 79 Ca 0.65 1.06 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 3ie0 s PRO 79 Cb -0.05 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.67 3ie0 s PRO 79 CO 0.43 -1.56 0.16 0.08 0.04 0.00 0.00 177.00 176.15 3ie0 s VAL 80 N -2.95 -0.18 0.03 -0.36 1.01 -0.71 -2.59 120.40 114.64 3ie0 s VAL 80 Ca 0.61 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 62.04 3ie0 s VAL 80 Cb -0.16 -0.78 -0.06 0.00 0.00 0.00 0.00 36.38 35.37 3ie0 s VAL 80 CO 0.56 -0.43 0.48 -0.31 0.00 0.00 0.00 175.10 175.40 3ie0 s TYR 81 N 2.20 3.76 -0.01 5.22 1.51 -0.30 -0.15 117.35 129.59 3ie0 s TYR 81 Ca 0.06 1.12 -0.28 0.00 -1.01 0.00 0.00 57.07 56.96 3ie0 s TYR 81 Cb -0.16 -2.39 0.10 0.00 -0.11 0.00 0.00 41.96 39.40 3ie0 s TYR 81 CO -0.22 0.61 0.87 0.00 -1.11 0.00 0.00 175.55 175.70 3ie0 s ALA 82 N -1.07 -1.81 0.99 3.71 0.00 -0.92 -1.31 121.76 121.34 3ie0 s ALA 82 Ca 0.26 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 53.15 3ie0 s ALA 82 Cb -0.18 0.33 0.19 0.00 0.00 0.00 0.00 23.12 23.46 3ie0 s ALA 82 CO 0.16 -0.65 1.11 0.95 0.00 0.00 0.00 175.76 177.33 3ie0 s THR 83 N -2.91 2.09 0.12 0.00 -4.23 -1.20 -1.46 115.64 108.05 3ie0 s THR 83 Ca 0.03 0.03 -0.23 0.00 -1.18 0.00 0.00 61.69 60.35 3ie0 s THR 83 Cb -0.01 -2.08 -0.07 0.00 1.34 0.00 0.00 72.50 71.69 3ie0 s THR 83 CO -0.08 -0.04 1.69 -0.09 -0.54 0.00 0.00 174.62 175.57 3ie0 h ARG 84 N -2.09 -0.14 -0.23 3.99 9.65 -1.93 -1.60 114.38 122.03 3ie0 h ARG 84 Ca -0.49 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.46 3ie0 h ARG 84 Cb 1.29 0.03 -0.06 0.00 -1.39 0.00 0.00 29.97 29.84 3ie0 h ARG 84 CO 0.44 -0.10 -0.16 0.00 2.80 0.00 0.00 179.97 182.96 3ie0 h ALA 85 N 0.87 0.01 -0.86 2.80 0.00 -1.90 0.38 119.26 120.56 3ie0 h ALA 85 Ca 0.06 0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.19 3ie0 h ALA 85 Cb 0.23 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 3ie0 h ALA 85 CO -0.14 -0.58 0.46 1.15 0.00 0.00 0.00 179.25 180.14 3ie0 h THR 86 N -0.15 0.76 -0.64 0.00 2.02 -1.62 0.23 112.91 113.51 3ie0 h THR 86 Ca 0.13 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 67.02 3ie0 h THR 86 Cb 0.34 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.76 3ie0 h THR 86 CO -0.32 0.12 0.15 0.58 0.37 0.00 0.00 175.52 176.42 3ie0 h VAL 87 N 0.67 1.25 -0.05 3.16 2.07 -0.00 0.11 116.25 123.45 3ie0 h VAL 87 Ca 0.46 -0.92 -0.10 0.00 0.82 0.00 0.00 66.70 66.96 3ie0 h VAL 87 Cb 0.62 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3ie0 h VAL 87 CO -0.34 0.35 -0.36 -0.07 0.02 0.00 0.00 177.57 177.16 3ie0 h LEU 88 N 0.96 0.41 -0.99 2.57 3.38 0.67 -3.12 115.31 119.19 3ie0 h LEU 88 Ca 0.20 -0.68 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 3ie0 h LEU 88 Cb 0.35 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3ie0 h LEU 88 CO 0.00 1.03 0.12 -0.07 0.09 0.00 0.00 178.44 179.61 3ie0 h LEU 89 N -0.17 0.80 -2.04 1.67 3.38 -0.61 -2.24 115.31 116.09 3ie0 h LEU 89 Ca -0.03 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ie0 h LEU 89 Cb 1.04 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3ie0 h LEU 89 CO 0.07 0.79 0.00 -0.03 0.09 0.00 0.00 178.44 179.36 3ie0 h MET 90 N 0.82 0.00 0.09 1.13 4.05 -0.76 -1.40 114.93 118.86 3ie0 h MET 90 Ca 0.18 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.34 3ie0 h MET 90 Cb 0.32 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.11 3ie0 h MET 90 CO 0.00 0.00 -1.18 1.49 0.23 0.00 0.00 176.91 177.45 3ie0 h GLU 91 N 0.00 0.20 0.10 0.39 4.81 -1.34 -2.99 114.58 115.75 3ie0 h GLU 91 Ca 0.00 -0.34 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 3ie0 h GLU 91 Cb 0.07 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3ie0 h GLU 91 CO 0.00 1.16 -0.05 0.82 -0.73 0.00 0.00 179.01 180.22 3ie0 h ILE 92 N 0.05 0.00 -0.75 2.32 2.04 -1.37 -2.94 117.51 116.88 3ie0 h ILE 92 Ca -0.10 -0.27 0.16 0.00 1.00 0.00 0.00 64.86 65.65 3ie0 h ILE 92 Cb 1.92 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 37.86 3ie0 h ILE 92 CO 0.18 0.00 -0.15 0.52 0.00 0.00 0.00 178.15 178.71 3ie0 n VAL 93 N -3.09 -0.31 -0.02 1.67 0.31 -0.77 -0.73 118.33 115.38 3ie0 n VAL 93 Ca -0.02 1.69 -0.16 0.00 -0.01 0.00 0.00 64.34 65.85 3ie0 n VAL 93 Cb 0.05 -2.37 -0.09 0.00 -0.91 0.00 0.00 33.84 30.52 3ie0 n VAL 93 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ie0 h LEU 94 N 0.00 0.49 -0.58 7.52 4.07 -1.67 -1.00 115.31 124.15 3ie0 h LEU 94 Ca 0.38 -0.68 0.07 0.00 0.08 0.00 0.00 57.88 57.73 3ie0 h LEU 94 Cb 0.62 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 42.16 3ie0 h LEU 94 CO -0.76 1.09 0.27 -0.33 -1.08 0.00 0.00 178.44 177.63 3ie0 h GLU 95 N -0.08 0.49 0.75 1.13 4.39 -0.73 -0.29 114.58 120.24 3ie0 h GLU 95 Ca -0.04 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 3ie0 h GLU 95 Cb 1.10 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3ie0 h GLU 95 CO 0.09 0.32 -0.36 0.22 -1.16 0.00 0.00 179.01 178.12 3ie0 h ASP 96 N 0.50 -0.86 -0.02 1.42 1.82 -0.95 -1.60 116.42 116.73 3ie0 h ASP 96 Ca 0.27 0.01 0.01 0.00 -0.39 0.00 0.00 57.03 56.93 3ie0 h ASP 96 Cb 0.23 0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.46 3ie0 h ASP 96 CO -0.22 -0.54 0.44 0.00 -1.61 0.00 0.00 179.24 177.31 3ie0 h ALA 97 N -0.98 1.47 0.25 -0.78 0.00 -0.93 0.57 119.26 118.86 3ie0 h ALA 97 Ca -0.10 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.47 3ie0 h ALA 97 Cb 0.79 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.62 3ie0 h ALA 97 CO 0.17 -0.45 -1.47 1.25 0.00 0.00 0.00 179.25 178.75 3ie0 h LEU 98 N 0.00 0.82 0.14 0.00 7.12 -0.30 -3.29 115.31 119.79 3ie0 h LEU 98 Ca 0.01 -0.88 -0.01 0.00 0.13 0.00 0.00 57.88 57.14 3ie0 h LEU 98 Cb 0.89 -0.27 0.00 0.00 -0.53 0.00 0.00 40.66 40.75 3ie0 h LEU 98 CO -0.00 1.69 -0.07 0.50 -0.13 0.00 0.00 178.44 180.43 3ie0 h LYS 99 N 0.14 -0.18 -3.53 1.25 3.64 0.10 -3.38 116.57 114.61 3ie0 h LYS 99 Ca -0.25 0.01 -0.79 0.00 -1.27 0.00 0.00 60.65 58.35 3ie0 h LYS 99 Cb 2.16 0.04 -0.26 0.00 -0.41 0.00 0.00 32.23 33.76 3ie0 h LYS 99 CO 0.27 -0.12 0.70 0.28 -2.27 0.00 0.00 179.45 178.31 3ie0 n VAL 100 N -3.01 4.72 -3.94 2.00 0.31 -0.56 -4.95 118.33 112.90 3ie0 n VAL 100 Ca -0.02 -5.41 -0.30 0.00 -0.01 0.00 0.00 64.34 58.60 3ie0 n VAL 100 Cb 0.07 -2.44 -0.16 0.00 -0.91 0.00 0.00 33.84 30.40 3ie0 n VAL 100 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3ie0 s MET 101 N -1.29 1.68 0.00 5.55 0.00 -1.24 -4.73 119.30 119.27 3ie0 s MET 101 Ca 0.33 -0.86 0.00 0.00 0.00 0.00 0.00 55.69 55.15 3ie0 s MET 101 Cb -0.05 -2.44 0.00 0.00 0.00 0.00 0.00 34.83 32.34 3ie0 s MET 101 CO -0.02 -0.53 0.56 -0.25 0.00 0.00 0.00 175.02 174.78 3ie0 n ASP 102 N 4.71 0.00 -4.35 1.11 8.00 -1.26 -4.18 116.55 120.59 3ie0 n ASP 102 Ca -0.13 0.56 -0.34 0.00 0.71 0.00 0.00 54.79 55.59 3ie0 n ASP 102 Cb 0.45 -0.20 -0.14 0.00 -0.02 0.00 0.00 41.12 41.21 3ie0 n ASP 102 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3ie0 s GLU 103 N -2.13 3.40 -0.22 -1.24 0.41 -1.26 -5.09 118.70 112.57 3ie0 s GLU 103 Ca 0.00 -0.64 -0.25 0.00 -0.41 0.00 0.00 54.97 53.67 3ie0 s GLU 103 Cb 0.00 -2.84 -0.01 0.00 -1.78 0.00 0.00 34.13 29.50 3ie0 s GLU 103 CO 0.00 0.01 0.83 -1.25 -0.49 0.00 0.00 175.26 174.35 3ie0 s PRO 104 N 0.92 4.21 -0.06 0.39 0.04 -1.26 -4.90 135.00 134.34 3ie0 s PRO 104 Ca -0.02 0.96 0.09 0.00 0.04 0.00 0.00 61.00 62.07 3ie0 s PRO 104 Cb -0.15 -3.63 0.21 0.00 0.04 0.00 0.00 34.50 30.98 3ie0 s PRO 104 CO 0.00 -0.46 1.15 1.97 0.04 0.00 0.00 177.00 179.70 3ie0 n PHE 105 N 5.79 0.23 -3.60 0.56 1.16 -1.26 -4.98 117.46 115.36 3ie0 n PHE 105 Ca 0.05 -0.68 -0.13 0.00 -1.87 0.00 0.00 57.45 54.82 3ie0 n PHE 105 Cb 0.48 -0.11 -0.06 0.00 -1.61 0.00 0.00 39.48 38.18 3ie0 n PHE 105 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 3ie0 s PHE 106 N -1.73 -0.60 0.00 2.97 -0.71 -1.26 -4.80 117.98 111.85 3ie0 s PHE 106 Ca 0.19 1.32 0.00 0.00 -1.04 0.00 0.00 56.93 57.40 3ie0 s PHE 106 Cb 0.14 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 42.31 3ie0 s PHE 106 CO 0.05 -0.38 0.00 0.41 -1.34 0.00 0.00 175.22 173.96 3ie0 n GLY 107 N 1.85 0.32 0.10 1.99 0.00 -1.26 -4.99 105.19 103.20 3ie0 n GLY 107 Ca -0.14 -1.87 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 3ie0 n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ie0 h PRO 108 N 0.00 0.22 -0.10 1.61 0.13 -1.99 -3.08 132.00 128.79 3ie0 h PRO 108 Ca 0.00 -0.38 -0.05 0.00 -0.87 0.00 0.00 66.00 64.70 3ie0 h PRO 108 Cb 0.00 0.14 -0.01 0.00 0.13 0.00 0.00 31.00 31.26 3ie0 h PRO 108 CO 0.00 1.15 -0.16 0.93 -0.23 0.00 0.00 178.00 179.69 3ie0 h GLU 109 N 0.06 0.16 -0.24 0.86 3.07 -1.99 -1.42 114.58 115.07 3ie0 h GLU 109 Ca -0.15 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.54 3ie0 h GLU 109 Cb 1.96 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.84 3ie0 h GLU 109 CO 0.18 0.33 -0.43 -0.44 -1.40 0.00 0.00 179.01 177.25 3ie0 h ASP 110 N 0.15 0.64 0.23 1.42 3.32 -1.88 -1.93 116.42 118.37 3ie0 h ASP 110 Ca 0.03 -0.29 -0.17 0.00 0.02 0.00 0.00 57.03 56.62 3ie0 h ASP 110 Cb 0.38 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3ie0 h ASP 110 CO 0.02 0.98 -0.64 0.58 -1.72 0.00 0.00 179.24 178.47 3ie0 h VAL 111 N 0.49 1.36 0.02 -1.35 2.07 -1.21 -2.30 116.25 115.33 3ie0 h VAL 111 Ca 0.04 -1.99 -0.00 0.00 0.82 0.00 0.00 66.70 65.56 3ie0 h VAL 111 Cb 0.94 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 3ie0 h VAL 111 CO 0.08 0.60 -0.01 -0.08 0.02 0.00 0.00 177.57 178.19 3ie0 h GLU 112 N 0.29 -0.02 -0.23 1.57 4.81 -1.21 -1.41 114.58 118.37 3ie0 h GLU 112 Ca -0.01 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 3ie0 h GLU 112 Cb 1.18 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.49 3ie0 h GLU 112 CO 0.11 0.36 -0.34 1.49 -0.73 0.00 0.00 179.01 179.90 3ie0 h GLU 113 N -0.40 -0.34 0.15 1.92 4.57 -1.35 0.21 114.58 119.33 3ie0 h GLU 113 Ca -0.00 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3ie0 h GLU 113 Cb 0.39 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 3ie0 h GLU 113 CO 0.00 -0.23 -0.21 0.00 -1.18 0.00 0.00 179.01 177.39 3ie0 h ALA 114 N 0.49 -0.39 -0.13 2.92 0.00 -1.42 -1.29 119.26 119.45 3ie0 h ALA 114 Ca 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3ie0 h ALA 114 Cb 0.55 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3ie0 h ALA 114 CO -0.43 -0.75 0.11 -0.07 0.00 0.00 0.00 179.25 178.11 3ie0 h LEU 115 N -0.42 0.00 0.00 0.00 3.38 -0.78 -0.89 115.31 116.60 3ie0 h LEU 115 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ie0 h LEU 115 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ie0 h LEU 115 CO -0.09 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.05 3ie0 n GLY 116 N -1.46 -0.97 0.33 0.83 0.00 0.69 -3.14 105.19 101.47 3ie0 n GLY 116 Ca 0.00 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.92 3ie0 n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ie0 n HIS 117 N -1.13 0.04 -2.09 1.61 8.25 -0.34 -5.02 115.22 116.54 3ie0 n HIS 117 Ca 0.16 -0.06 -0.41 0.00 -0.26 0.00 0.00 57.72 57.15 3ie0 n HIS 117 Cb 0.14 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 3ie0 n HIS 117 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ie0 s LEU 118 N -0.70 4.39 -0.04 2.41 1.43 -1.19 -1.74 118.68 123.25 3ie0 s LEU 118 Ca 0.10 2.54 0.02 0.00 -1.03 0.00 0.00 54.13 55.77 3ie0 s LEU 118 Cb 0.07 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.68 3ie0 s LEU 118 CO 0.10 -0.65 -0.09 -0.13 0.23 0.00 0.00 176.35 175.82 3ie0 s ARG 119 N -0.07 1.10 0.61 1.70 0.52 0.79 -4.88 118.95 118.73 3ie0 s ARG 119 Ca 0.60 -0.29 -0.17 0.00 -0.52 0.00 0.00 55.73 55.34 3ie0 s ARG 119 Cb -0.40 -1.00 -0.02 0.00 0.52 0.00 0.00 34.95 34.04 3ie0 s ARG 119 CO 0.40 0.05 1.14 -1.25 0.02 0.00 0.00 175.30 175.66 3ie0 s PRO 120 N 0.45 2.98 -0.29 3.54 0.04 -1.26 -2.16 135.00 138.31 3ie0 s PRO 120 Ca -0.08 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.54 3ie0 s PRO 120 Cb -0.12 -1.96 0.18 0.00 0.04 0.00 0.00 34.50 32.65 3ie0 s PRO 120 CO 0.01 -1.14 0.55 -1.17 0.04 0.00 0.00 177.00 175.29 3ie0 s LEU 121 N -4.35 -1.26 0.70 -3.56 2.96 -0.53 -4.72 118.68 107.91 3ie0 s LEU 121 Ca 0.72 0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 55.17 3ie0 s LEU 121 Cb -0.24 1.89 0.11 0.00 0.50 0.00 0.00 46.19 48.44 3ie0 s LEU 121 CO 0.35 -0.28 0.97 -1.61 -1.32 0.00 0.00 176.35 174.46 3ie0 s GLU 122 N 2.78 1.83 0.27 1.98 0.41 -1.26 -3.23 118.70 121.47 3ie0 s GLU 122 Ca 0.17 -0.97 -0.31 0.00 -0.41 0.00 0.00 54.97 53.45 3ie0 s GLU 122 Cb -0.14 -2.33 -0.12 0.00 -1.78 0.00 0.00 34.13 29.76 3ie0 s GLU 122 CO -0.22 -1.34 1.64 0.66 -0.49 0.00 0.00 175.26 175.52 3ie0 n TYR 123 N -2.79 2.84 0.00 1.61 4.01 -1.26 -2.37 117.16 119.20 3ie0 n TYR 123 Ca 0.13 0.18 0.00 0.00 -0.16 0.00 0.00 57.90 58.05 3ie0 n TYR 123 Cb 0.60 -2.63 0.00 0.00 -0.31 0.00 0.00 39.34 37.01 3ie0 n TYR 123 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ie0 n GLY 124 N 2.73 2.86 3.74 2.72 0.00 -1.16 -4.97 105.19 111.10 3ie0 n GLY 124 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3ie0 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie0 s GLU 125 N -0.11 4.75 -0.06 1.61 2.02 -1.00 -4.96 118.70 120.95 3ie0 s GLU 125 Ca 0.00 1.48 -0.11 0.00 0.02 0.00 0.00 54.97 56.35 3ie0 s GLU 125 Cb 0.00 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 3ie0 s GLU 125 CO 0.00 0.32 0.28 -1.58 0.02 0.00 0.00 175.26 174.30 3ie0 s TRP 126 N -0.43 3.66 0.01 1.61 0.52 -1.26 -4.38 118.94 118.68 3ie0 s TRP 126 Ca 0.45 0.77 0.04 0.00 0.02 0.00 0.00 56.10 57.38 3ie0 s TRP 126 Cb -0.24 -2.14 -0.03 0.00 -1.15 0.00 0.00 33.47 29.91 3ie0 s TRP 126 CO 0.31 0.67 -0.08 -1.17 0.02 0.00 0.00 176.95 176.70 3ie0 s LEU 127 N -1.00 3.11 -0.11 2.99 2.96 -0.25 -4.96 118.68 121.43 3ie0 s LEU 127 Ca 0.20 -0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 3ie0 s LEU 127 Cb -0.14 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.78 3ie0 s LEU 127 CO 0.09 0.27 -0.04 -0.60 -1.32 0.00 0.00 176.35 174.75 3ie0 s ARG 128 N -1.48 1.17 -0.20 1.98 3.52 -1.26 -1.64 118.95 121.04 3ie0 s ARG 128 Ca 0.17 -0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.62 3ie0 s ARG 128 Cb -0.11 -1.44 0.03 0.00 -1.56 0.00 0.00 34.95 31.87 3ie0 s ARG 128 CO 0.08 -0.31 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.60 3ie0 s LEU 129 N 1.80 2.35 0.00 -0.88 1.43 -0.88 -4.98 118.68 117.52 3ie0 s LEU 129 Ca 0.04 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.31 3ie0 s LEU 129 Cb -0.13 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.72 3ie0 s LEU 129 CO -0.07 -0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.03 3ie0 n GLY 130 N 4.63 3.60 1.89 -3.19 0.00 -1.26 -0.27 105.19 110.59 3ie0 n GLY 130 Ca -0.17 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 3ie0 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie0 n ALA 131 N 11.60 4.52 -2.56 4.61 0.00 -1.16 -4.95 120.51 132.58 3ie0 n ALA 131 Ca 0.00 -2.43 -0.31 0.00 0.00 0.00 0.00 53.44 50.70 3ie0 n ALA 131 Cb 0.00 -1.19 -0.11 0.00 0.00 0.00 0.00 19.45 18.15 3ie0 n ALA 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ie0 s LEU 132 N -3.02 3.02 -0.08 0.00 2.96 0.63 -4.31 118.68 117.88 3ie0 s LEU 132 Ca 0.54 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 54.19 3ie0 s LEU 132 Cb 0.44 -1.77 0.02 0.00 0.50 0.00 0.00 46.19 45.37 3ie0 s LEU 132 CO 0.12 0.25 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.87 3ie0 s SER 133 N -1.65 1.80 0.13 3.68 0.01 -0.57 -2.08 113.70 115.04 3ie0 s SER 133 Ca 0.18 -0.27 0.09 0.00 1.31 0.00 0.00 55.95 57.25 3ie0 s SER 133 Cb -0.11 -0.77 -0.04 0.00 0.21 0.00 0.00 66.02 65.31 3ie0 s SER 133 CO 0.09 -0.04 -0.20 -0.76 0.41 0.00 0.00 173.24 172.74 3ie0 s LEU 134 N 1.11 2.36 -0.13 2.44 1.43 -0.65 -0.92 118.68 124.32 3ie0 s LEU 134 Ca -0.07 -0.77 -0.26 0.00 -1.03 0.00 0.00 54.13 52.01 3ie0 s LEU 134 Cb -0.14 -0.89 0.06 0.00 0.03 0.00 0.00 46.19 45.25 3ie0 s LEU 134 CO -0.01 0.03 0.63 0.00 0.23 0.00 0.00 176.35 177.22 3ie0 s ALA 135 N -1.54 -1.59 0.52 4.21 0.00 -0.30 -1.09 121.76 121.97 3ie0 s ALA 135 Ca 0.11 1.43 -0.06 0.00 0.00 0.00 0.00 51.96 53.44 3ie0 s ALA 135 Cb -0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 3ie0 s ALA 135 CO 0.06 -0.33 0.84 -0.06 0.00 0.00 0.00 175.76 176.26 3ie0 s PHE 136 N -0.54 3.55 0.11 0.00 0.08 -1.26 -0.73 117.98 119.19 3ie0 s PHE 136 Ca -0.06 0.88 0.02 0.00 0.12 0.00 0.00 56.93 57.88 3ie0 s PHE 136 Cb -0.03 -2.42 -0.04 0.00 -0.57 0.00 0.00 43.02 39.97 3ie0 s PHE 136 CO 0.05 -0.40 -0.06 0.20 -0.10 0.00 0.00 175.22 174.91 3ie0 s GLY 137 N -4.14 0.86 -0.17 4.36 0.00 -0.25 -2.99 107.32 104.99 3ie0 s GLY 137 Ca 0.49 -1.40 -0.29 0.00 0.00 0.00 0.00 44.72 43.52 3ie0 s GLY 137 CO 0.46 -1.48 1.47 1.62 0.00 0.00 0.00 173.10 175.18 3ie0 s GLN 138 N -3.84 4.04 -0.01 2.90 2.00 -1.26 -2.30 119.66 121.20 3ie0 s GLN 138 Ca 0.14 1.74 0.17 0.00 -2.00 0.00 0.00 55.36 55.41 3ie0 s GLN 138 Cb 0.05 -3.92 -0.21 0.00 0.80 0.00 0.00 33.01 29.73 3ie0 s GLN 138 CO -0.03 -0.98 0.62 0.00 -0.50 0.00 0.00 175.29 174.41 3ie0 n ALA 139 N 7.44 3.75 -4.05 1.58 0.00 -1.11 0.27 120.51 128.39 3ie0 n ALA 139 Ca 0.16 -0.46 -0.30 0.00 0.00 0.00 0.00 53.44 52.84 3ie0 n ALA 139 Cb 0.45 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.22 3ie0 n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie0 n GLY 140 N 1.43 -0.27 0.00 0.00 0.00 -1.26 -1.78 105.19 103.33 3ie0 n GLY 140 Ca 0.01 0.19 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 3ie0 n GLY 140 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ie0 n HIS 141 N -4.18 0.00 -3.73 1.61 -0.00 -1.26 -3.71 115.22 103.95 3ie0 n HIS 141 Ca -0.23 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.35 3ie0 n HIS 141 Cb 0.56 -0.03 -0.09 0.00 -0.00 0.00 0.00 29.99 30.43 3ie0 n HIS 141 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ie0 s LEU 142 N -4.67 0.56 -0.35 0.27 1.43 -1.26 -4.99 118.68 109.67 3ie0 s LEU 142 Ca -0.01 0.45 -0.39 0.00 -1.03 0.00 0.00 54.13 53.15 3ie0 s LEU 142 Cb 0.00 1.42 -0.14 0.00 0.03 0.00 0.00 46.19 47.50 3ie0 s LEU 142 CO 0.02 -0.33 1.99 -2.65 0.23 0.00 0.00 176.35 175.62 3ie0 n PRO 143 N 1.92 0.92 -0.30 1.29 -0.02 -1.26 0.96 135.00 138.51 3ie0 n PRO 143 Ca -0.18 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3ie0 n PRO 143 Cb 0.57 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 3ie0 n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ie0 n GLY 144 N 5.72 0.70 3.77 -1.23 0.00 -1.26 -4.00 105.19 108.88 3ie0 n GLY 144 Ca 0.37 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 3ie0 n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ie0 s SER 145 N -2.77 6.29 0.12 1.61 1.04 0.27 -4.49 113.70 115.77 3ie0 s SER 145 Ca 0.00 2.41 -0.13 0.00 0.48 0.00 0.00 55.95 58.71 3ie0 s SER 145 Cb 0.00 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.52 3ie0 s SER 145 CO 0.00 -0.84 0.34 0.00 0.98 0.00 0.00 173.24 173.71 3ie0 s ALA 146 N -1.42 -0.64 0.24 5.32 0.00 0.54 -2.76 121.76 123.04 3ie0 s ALA 146 Ca 0.60 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 52.33 3ie0 s ALA 146 Cb -0.32 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 3ie0 s ALA 146 CO 0.40 -0.62 0.19 -0.59 0.00 0.00 0.00 175.76 175.14 3ie0 s PHE 147 N -3.84 3.12 -0.11 0.00 -0.71 -0.97 -4.48 117.98 110.98 3ie0 s PHE 147 Ca 0.05 -0.10 -0.03 0.00 -1.04 0.00 0.00 56.93 55.81 3ie0 s PHE 147 Cb 0.03 -1.41 -0.03 0.00 -1.21 0.00 0.00 43.02 40.39 3ie0 s PHE 147 CO -0.10 0.52 -0.01 0.08 -1.34 0.00 0.00 175.22 174.38 3ie0 s VAL 148 N -2.10 4.23 -0.16 -2.49 1.01 0.13 -1.09 120.40 119.93 3ie0 s VAL 148 Ca 0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 3ie0 s VAL 148 Cb -0.08 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.49 3ie0 s VAL 148 CO 0.25 0.56 -0.14 -0.69 0.00 0.00 0.00 175.10 175.09 3ie0 s VAL 149 N -0.46 2.81 -0.08 2.92 1.01 0.10 -0.24 120.40 126.46 3ie0 s VAL 149 Ca 0.08 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.37 3ie0 s VAL 149 Cb -0.12 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.07 3ie0 s VAL 149 CO 0.02 0.51 -0.16 0.00 0.00 0.00 0.00 175.10 175.47 3ie0 s ALA 150 N 0.82 1.55 -0.05 5.51 0.00 0.74 -1.15 121.76 129.18 3ie0 s ALA 150 Ca -0.05 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3ie0 s ALA 150 Cb -0.15 -0.65 0.02 0.00 0.00 0.00 0.00 23.12 22.34 3ie0 s ALA 150 CO 0.00 0.16 -0.05 -1.14 0.00 0.00 0.00 175.76 174.73 3ie0 s GLN 151 N 0.57 0.93 -0.21 0.00 -0.44 -0.09 -0.24 119.66 120.18 3ie0 s GLN 151 Ca -0.16 -0.13 -0.36 0.00 -2.50 0.00 0.00 55.36 52.21 3ie0 s GLN 151 Cb -0.16 -0.93 0.15 0.00 -1.64 0.00 0.00 33.01 30.42 3ie0 s GLN 151 CO 0.05 -0.09 1.36 0.20 0.50 0.00 0.00 175.29 177.32 3ie0 s GLY 152 N 0.98 -0.30 -1.20 2.59 0.00 0.08 -1.51 107.32 107.96 3ie0 s GLY 152 Ca -0.10 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.18 3ie0 s GLY 152 CO -0.00 0.48 0.00 1.18 0.00 0.00 0.00 173.10 174.76 3ie0 n GLU 153 N -0.17 -1.98 -0.96 2.90 1.02 -1.26 0.33 120.64 120.53 3ie0 n GLU 153 Ca 0.00 0.68 0.00 0.00 -0.02 0.00 0.00 57.16 57.82 3ie0 n GLU 153 Cb 0.59 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.80 3ie0 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie0 n GLY 154 N -0.71 0.42 3.40 0.62 0.00 -1.26 -4.97 105.19 102.69 3ie0 n GLY 154 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 3ie0 n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie0 s ARG 155 N -0.58 1.43 -0.10 1.61 1.81 0.15 -5.12 118.95 118.15 3ie0 s ARG 155 Ca 0.00 -1.40 0.02 0.00 -1.72 0.00 0.00 55.73 52.62 3ie0 s ARG 155 Cb 0.00 -1.87 0.01 0.00 -0.45 0.00 0.00 34.95 32.64 3ie0 s ARG 155 CO 0.00 0.43 -0.15 0.99 -0.68 0.00 0.00 175.30 175.89 3ie0 s THR 156 N -1.26 1.47 -0.01 0.02 2.01 -1.26 -0.74 115.64 115.86 3ie0 s THR 156 Ca 0.16 -0.63 0.08 0.00 0.31 0.00 0.00 61.69 61.61 3ie0 s THR 156 Cb -0.09 -1.34 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 3ie0 s THR 156 CO 0.07 0.43 -0.25 -0.22 -0.69 0.00 0.00 174.62 173.96 3ie0 s LEU 157 N 0.93 2.11 -0.09 4.42 2.96 0.66 -0.69 118.68 128.99 3ie0 s LEU 157 Ca -0.08 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 3ie0 s LEU 157 Cb -0.15 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.20 3ie0 s LEU 157 CO -0.01 0.31 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.46 3ie0 s VAL 158 N -0.65 1.67 -0.27 1.68 1.01 -0.68 -0.18 120.40 122.98 3ie0 s VAL 158 Ca 0.10 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3ie0 s VAL 158 Cb -0.10 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.85 3ie0 s VAL 158 CO -0.00 0.47 -0.05 -0.47 0.00 0.00 0.00 175.10 175.05 3ie0 s TYR 159 N 0.54 3.16 0.50 5.22 6.04 0.67 -0.83 117.35 132.66 3ie0 s TYR 159 Ca -0.16 -1.77 0.20 0.00 0.04 0.00 0.00 57.07 55.38 3ie0 s TYR 159 Cb -0.17 -2.06 1.25 0.00 -1.04 0.00 0.00 41.96 39.95 3ie0 s TYR 159 CO 0.06 -0.78 2.02 0.66 -1.54 0.00 0.00 175.55 175.97 3ie0 h SER 160 N 7.98 0.12 0.00 4.32 4.64 -1.64 0.37 113.55 129.34 3ie0 h SER 160 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3ie0 h SER 160 Cb 1.08 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3ie0 h SER 160 CO 0.55 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.19 3ie0 n GLY 161 N -1.58 2.38 3.07 -0.77 0.00 -1.26 -4.07 105.19 102.96 3ie0 n GLY 161 Ca 0.07 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 3ie0 n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ie0 s ASP 162 N -4.00 4.31 0.77 1.61 -0.00 -1.26 -4.42 116.67 113.68 3ie0 s ASP 162 Ca 0.00 -1.33 -0.12 0.00 -0.00 0.00 0.00 52.55 51.11 3ie0 s ASP 162 Cb 0.00 -1.53 0.06 0.00 -0.00 0.00 0.00 42.92 41.45 3ie0 s ASP 162 CO 0.00 -0.17 1.11 -0.76 -0.00 0.00 0.00 175.17 175.35 3ie0 s LEU 163 N 1.13 3.08 0.24 1.23 2.01 -1.26 -4.37 118.68 120.75 3ie0 s LEU 163 Ca -0.08 1.96 0.10 0.00 0.01 0.00 0.00 54.13 56.12 3ie0 s LEU 163 Cb -0.19 -4.54 -0.04 0.00 0.01 0.00 0.00 46.19 41.42 3ie0 s LEU 163 CO -0.06 -2.17 -0.05 -0.83 1.01 0.00 0.00 176.35 174.25 3ie0 s GLY 164 N -3.02 1.70 -0.99 -3.19 0.00 -0.73 -3.02 107.32 98.08 3ie0 s GLY 164 Ca 0.64 -1.63 -0.24 0.00 0.00 0.00 0.00 44.72 43.50 3ie0 s GLY 164 CO 0.53 -1.68 1.90 0.21 0.00 0.00 0.00 173.10 174.06 3ie0 s ASN 165 N -3.42 5.27 0.61 1.64 3.04 -0.14 -4.12 114.94 117.81 3ie0 s ASN 165 Ca 0.29 -1.01 0.14 0.00 0.04 0.00 0.00 52.86 52.33 3ie0 s ASN 165 Cb -0.07 -2.57 0.77 0.00 -1.54 0.00 0.00 41.25 37.84 3ie0 s ASN 165 CO 0.18 -2.68 1.41 0.08 -3.04 0.00 0.00 177.10 173.04 3ie0 h ARG 166 N 10.72 0.00 -0.96 0.43 0.11 -1.89 -1.92 114.38 120.88 3ie0 h ARG 166 Ca 0.14 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.08 3ie0 h ARG 166 Cb 0.99 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.98 3ie0 h ARG 166 CO 1.24 0.00 0.18 0.39 0.10 0.00 0.00 179.97 181.88 3ie0 n GLU 167 N -2.58 1.75 -4.03 0.08 1.02 -1.26 -4.83 120.64 110.80 3ie0 n GLU 167 Ca -0.01 -1.14 -0.23 0.00 -0.02 0.00 0.00 57.16 55.75 3ie0 n GLU 167 Cb 0.66 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 30.48 3ie0 n GLU 167 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ie0 s LYS 168 N -1.36 2.36 -0.26 3.49 1.02 -0.72 -4.51 119.74 119.76 3ie0 s LYS 168 Ca 0.21 -1.62 -0.09 0.00 0.02 0.00 0.00 55.97 54.49 3ie0 s LYS 168 Cb 0.17 -2.16 -0.15 0.00 -0.52 0.00 0.00 37.83 35.18 3ie0 s LYS 168 CO 0.05 0.01 -0.24 -0.25 -0.92 0.00 0.00 175.35 173.99 3ie0 n ASP 169 N -1.23 1.97 0.04 2.83 10.43 -1.26 -4.75 116.55 124.57 3ie0 n ASP 169 Ca -0.02 0.19 -0.10 0.00 2.57 0.00 0.00 54.79 57.43 3ie0 n ASP 169 Cb 0.62 -0.71 -0.06 0.00 1.84 0.00 0.00 41.12 42.81 3ie0 n ASP 169 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3ie0 h VAL 170 N -0.64 0.00 -3.65 2.53 2.07 -1.96 -3.40 116.25 111.19 3ie0 h VAL 170 Ca -0.63 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 66.39 3ie0 h VAL 170 Cb 1.70 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3ie0 h VAL 170 CO -0.28 0.00 0.06 -0.76 0.02 0.00 0.00 177.57 176.60 3ie0 s LEU 171 N -8.38 4.03 0.64 2.57 2.01 -1.26 -0.61 118.68 117.68 3ie0 s LEU 171 Ca -0.10 1.17 -0.16 0.00 0.01 0.00 0.00 54.13 55.04 3ie0 s LEU 171 Cb 0.04 -3.98 -0.01 0.00 0.01 0.00 0.00 46.19 42.25 3ie0 s LEU 171 CO 0.39 -0.23 1.15 -2.16 1.01 0.00 0.00 176.35 176.52 3ie0 s PRO 172 N -3.17 2.78 0.66 1.29 0.04 -1.26 -4.56 135.00 130.78 3ie0 s PRO 172 Ca 0.52 1.59 -0.17 0.00 0.04 0.00 0.00 61.00 62.98 3ie0 s PRO 172 Cb -0.10 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.49 3ie0 s PRO 172 CO 0.21 -1.30 1.02 -0.25 0.04 0.00 0.00 177.00 176.72 3ie0 n ASP 173 N -2.14 0.86 -4.79 6.66 8.00 -1.26 -4.17 116.55 119.72 3ie0 n ASP 173 Ca 0.12 0.75 -0.36 0.00 0.71 0.00 0.00 54.79 56.01 3ie0 n ASP 173 Cb 0.51 -1.42 -0.04 0.00 -0.02 0.00 0.00 41.12 40.14 3ie0 n ASP 173 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3ie0 s PRO 174 N -3.10 4.10 0.18 -0.24 0.02 -1.26 -4.57 135.00 130.13 3ie0 s PRO 174 Ca 0.76 1.45 -0.12 0.00 0.02 0.00 0.00 61.00 63.11 3ie0 s PRO 174 Cb -0.38 -2.43 -0.07 0.00 0.02 0.00 0.00 34.50 31.64 3ie0 s PRO 174 CO 0.47 -0.18 0.55 0.45 -0.33 0.00 0.00 177.00 177.95 3ie0 s SER 175 N -1.70 6.74 0.54 2.53 0.15 0.14 -4.98 113.70 117.12 3ie0 s SER 175 Ca 0.60 1.01 -0.18 0.00 0.70 0.00 0.00 55.95 58.08 3ie0 s SER 175 Cb -0.20 -2.26 -0.06 0.00 -1.71 0.00 0.00 66.02 61.79 3ie0 s SER 175 CO 0.25 0.04 1.05 -0.76 1.20 0.00 0.00 173.24 175.01 3ie0 s LEU 176 N -2.28 3.68 0.57 3.45 1.43 -1.26 -4.75 118.68 119.51 3ie0 s LEU 176 Ca 0.41 1.89 -0.06 0.00 -1.03 0.00 0.00 54.13 55.33 3ie0 s LEU 176 Cb -0.13 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.53 3ie0 s LEU 176 CO 0.20 -0.97 0.89 -2.16 0.23 0.00 0.00 176.35 174.53 3ie0 s PRO 177 N -3.62 3.16 0.78 1.29 0.04 -1.26 -4.99 135.00 130.39 3ie0 s PRO 177 Ca 0.66 0.14 -0.13 0.00 0.04 0.00 0.00 61.00 61.71 3ie0 s PRO 177 Cb -0.16 -2.28 0.18 0.00 0.04 0.00 0.00 34.50 32.28 3ie0 s PRO 177 CO 0.28 -0.56 1.06 -0.35 0.04 0.00 0.00 177.00 177.47 3ie0 n PRO 178 N -2.52 -1.03 -2.76 0.56 -0.04 -1.26 -4.98 135.00 122.97 3ie0 n PRO 178 Ca 0.04 -1.64 -0.42 0.00 -0.04 0.00 0.00 63.50 61.44 3ie0 n PRO 178 Cb 0.57 -1.09 -0.03 0.00 -0.04 0.00 0.00 33.50 32.91 3ie0 n PRO 178 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ie0 s LEU 179 N 0.00 4.23 0.28 1.53 2.96 -1.26 -5.03 118.68 121.39 3ie0 s LEU 179 Ca 0.60 1.42 0.06 0.00 -0.22 0.00 0.00 54.13 56.00 3ie0 s LEU 179 Cb -0.02 -3.45 -0.06 0.00 0.50 0.00 0.00 46.19 43.17 3ie0 s LEU 179 CO 0.42 -0.42 -0.05 0.00 -1.32 0.00 0.00 176.35 174.98 3ie0 s ALA 180 N 1.98 2.32 0.02 5.97 0.00 -1.26 -4.94 121.76 125.85 3ie0 s ALA 180 Ca 0.45 -1.90 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 3ie0 s ALA 180 Cb -0.18 0.21 -0.28 0.00 0.00 0.00 0.00 23.12 22.88 3ie0 s ALA 180 CO 0.17 -0.08 0.91 -0.44 0.00 0.00 0.00 175.76 176.31 3ie0 h ASP 181 N 2.28 0.38 -3.69 0.00 5.19 -1.29 -3.41 116.42 115.88 3ie0 h ASP 181 Ca -0.40 -0.50 -0.39 0.00 -0.62 0.00 0.00 57.03 55.12 3ie0 h ASP 181 Cb 1.23 -0.12 -0.31 0.00 0.18 0.00 0.00 39.33 40.31 3ie0 h ASP 181 CO 0.67 1.41 -0.77 -0.22 -3.12 0.00 0.00 179.24 177.21 3ie0 s LEU 182 N -6.98 1.65 -0.22 1.55 2.96 -1.20 -3.85 118.68 112.59 3ie0 s LEU 182 Ca -0.08 -0.13 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3ie0 s LEU 182 Cb 0.07 -0.42 0.06 0.00 0.50 0.00 0.00 46.19 46.40 3ie0 s LEU 182 CO 0.86 0.01 -0.05 -0.69 -1.32 0.00 0.00 176.35 175.16 3ie0 s VAL 183 N 0.41 1.45 -0.97 1.68 1.01 -1.08 -1.68 120.40 121.22 3ie0 s VAL 183 Ca -0.05 -1.10 -0.20 0.00 0.00 0.00 0.00 61.98 60.62 3ie0 s VAL 183 Cb -0.09 -1.70 0.10 0.00 0.00 0.00 0.00 36.38 34.69 3ie0 s VAL 183 CO 0.00 -0.05 1.25 -0.22 0.00 0.00 0.00 175.10 176.07 3ie0 s LEU 184 N 1.44 4.51 0.05 3.92 2.96 -0.01 -1.79 118.68 129.76 3ie0 s LEU 184 Ca -0.04 -1.85 0.00 0.00 -0.22 0.00 0.00 54.13 52.01 3ie0 s LEU 184 Cb -0.18 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 3ie0 s LEU 184 CO -0.07 -1.21 0.17 0.00 -1.32 0.00 0.00 176.35 173.92 3ie0 s ALA 185 N 3.47 3.88 1.07 5.97 0.00 -0.95 -1.82 121.76 133.39 3ie0 s ALA 185 Ca 0.38 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 51.33 3ie0 s ALA 185 Cb -0.03 -1.74 0.20 0.00 0.00 0.00 0.00 23.12 21.54 3ie0 s ALA 185 CO -0.09 0.79 0.95 -0.85 0.00 0.00 0.00 175.76 176.55 3ie0 n GLU 186 N 0.51 -1.64 -0.57 0.00 0.28 -1.26 -1.26 120.64 116.70 3ie0 n GLU 186 Ca -0.07 -1.48 -0.02 0.00 -0.16 0.00 0.00 57.16 55.43 3ie0 n GLU 186 Cb 0.52 -1.13 -0.02 0.00 1.43 0.00 0.00 31.44 32.24 3ie0 n GLU 186 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ie0 n GLY 187 N -2.20 0.02 0.45 -1.84 0.00 -0.96 -4.68 105.19 95.98 3ie0 n GLY 187 Ca 0.12 0.00 0.36 0.00 0.00 0.00 0.00 46.02 46.50 3ie0 n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ie0 h THR 188 N 1.95 0.14 -1.43 2.61 2.02 -1.76 -0.36 112.91 116.08 3ie0 h THR 188 Ca -0.16 -0.03 -0.53 0.00 0.77 0.00 0.00 66.41 66.45 3ie0 h THR 188 Cb 0.73 0.03 -0.41 0.00 -1.74 0.00 0.00 68.15 66.76 3ie0 h THR 188 CO -0.08 0.02 -0.86 -1.22 0.37 0.00 0.00 175.52 173.75 3ie0 n TYR 189 N -4.72 2.80 1.61 3.16 4.02 -1.26 -4.79 117.16 117.98 3ie0 n TYR 189 Ca 0.37 -3.09 0.13 0.00 -0.01 0.00 0.00 57.90 55.30 3ie0 n TYR 189 Cb 1.39 -0.18 0.78 0.00 -0.02 0.00 0.00 39.34 41.30 3ie0 n TYR 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ie0 n GLY 190 N -0.34 -0.91 0.09 2.72 0.00 -0.15 -0.89 105.19 105.70 3ie0 n GLY 190 Ca 0.31 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 3ie0 n GLY 190 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ie0 n ASP 191 N -1.06 0.77 -3.69 1.61 3.85 -1.26 -2.20 116.55 114.58 3ie0 n ASP 191 Ca 0.19 -0.01 -0.20 0.00 -0.71 0.00 0.00 54.79 54.06 3ie0 n ASP 191 Cb 0.12 0.85 -0.18 0.00 -1.35 0.00 0.00 41.12 40.55 3ie0 n ASP 191 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3ie0 s ARG 192 N -2.43 -0.01 0.78 0.11 0.52 -1.24 -4.98 118.95 111.70 3ie0 s ARG 192 Ca -0.10 0.33 -0.13 0.00 -0.52 0.00 0.00 55.73 55.32 3ie0 s ARG 192 Cb 0.05 -0.53 0.06 0.00 0.52 0.00 0.00 34.95 35.06 3ie0 s ARG 192 CO 0.71 -0.31 1.14 -1.25 0.02 0.00 0.00 175.30 175.61 3ie0 s PRO 193 N 2.04 2.00 0.51 3.54 0.04 -1.26 -3.46 135.00 138.41 3ie0 s PRO 193 Ca 0.04 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.39 3ie0 s PRO 193 Cb -0.12 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.50 3ie0 s PRO 193 CO -0.03 -1.89 0.99 -1.01 0.04 0.00 0.00 177.00 175.10 3ie0 s HIS 194 N -2.47 3.44 -0.06 0.56 3.76 -1.26 -4.83 115.29 114.42 3ie0 s HIS 194 Ca 0.67 1.47 -0.30 0.00 -0.15 0.00 0.00 55.06 56.76 3ie0 s HIS 194 Cb -0.23 -2.80 -0.03 0.00 1.11 0.00 0.00 32.58 30.63 3ie0 s HIS 194 CO 0.51 -0.38 1.24 0.50 -0.85 0.00 0.00 174.74 175.75 3ie0 s ARG 195 N -4.05 4.33 0.03 1.40 3.52 -1.24 -4.91 118.95 118.03 3ie0 s ARG 195 Ca 0.59 1.71 -0.23 0.00 -0.13 0.00 0.00 55.73 57.67 3ie0 s ARG 195 Cb -0.10 -3.59 -0.12 0.00 -1.56 0.00 0.00 34.95 29.58 3ie0 s ARG 195 CO 0.31 -0.50 0.60 -2.30 -0.81 0.00 0.00 175.30 172.60 3ie0 n PRO 196 N 5.40 0.00 0.16 5.12 -0.02 -1.26 -4.00 135.00 140.40 3ie0 n PRO 196 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3ie0 n PRO 196 Cb 0.46 -0.87 0.25 0.00 -0.02 0.00 0.00 33.50 33.31 3ie0 n PRO 196 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ie0 h TYR 197 N 1.61 0.00 -0.04 6.00 5.03 -1.86 -2.76 116.97 124.95 3ie0 h TYR 197 Ca -0.29 0.00 0.01 0.00 2.58 0.00 0.00 58.73 61.03 3ie0 h TYR 197 Cb 0.90 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.17 3ie0 h TYR 197 CO 0.34 0.52 -0.08 0.00 -1.32 0.00 0.00 178.16 177.61 3ie0 h ARG 198 N 0.00 -0.07 0.00 1.82 2.47 -1.88 -2.05 114.38 114.68 3ie0 h ARG 198 Ca -0.01 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 3ie0 h ARG 198 Cb 0.93 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.26 3ie0 h ARG 198 CO 0.07 -0.05 -0.13 1.05 0.56 0.00 0.00 179.97 181.47 3ie0 h GLU 199 N -0.07 0.00 -0.37 0.04 4.11 -1.93 -3.01 114.58 113.34 3ie0 h GLU 199 Ca 0.01 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.34 3ie0 h GLU 199 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3ie0 h GLU 199 CO -0.08 0.13 -0.16 1.15 0.07 0.00 0.00 179.01 180.13 3ie0 h THR 200 N 0.00 1.26 -0.12 -1.06 2.02 -1.09 -2.70 112.91 111.22 3ie0 h THR 200 Ca -0.00 -1.19 -0.07 0.00 0.77 0.00 0.00 66.41 65.92 3ie0 h THR 200 Cb 0.36 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 3ie0 h THR 200 CO 0.02 0.40 -0.23 0.58 0.37 0.00 0.00 175.52 176.66 3ie0 h VAL 201 N 0.62 1.22 -0.05 3.16 2.07 -1.25 -2.60 116.25 119.42 3ie0 h VAL 201 Ca 0.10 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3ie0 h VAL 201 Cb 0.61 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3ie0 h VAL 201 CO 0.04 0.31 0.00 0.03 0.02 0.00 0.00 177.57 177.98 3ie0 h ARG 202 N 0.20 0.08 0.00 1.57 3.08 -1.58 -2.32 114.38 115.41 3ie0 h ARG 202 Ca 0.03 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3ie0 h ARG 202 Cb 0.52 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 3ie0 h ARG 202 CO 0.04 0.34 -0.10 1.49 -1.07 0.00 0.00 179.97 180.67 3ie0 h GLU 203 N -0.18 0.00 -0.36 0.04 4.81 -1.38 0.14 114.58 117.65 3ie0 h GLU 203 Ca 0.01 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3ie0 h GLU 203 Cb 0.30 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 3ie0 h GLU 203 CO 0.00 0.10 0.01 0.35 -0.73 0.00 0.00 179.01 178.74 3ie0 h PHE 204 N 0.00 0.68 0.21 0.92 -0.00 -1.22 -2.42 116.94 115.11 3ie0 h PHE 204 Ca -0.00 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.97 57.84 3ie0 h PHE 204 Cb 0.20 -0.18 0.00 0.00 -0.00 0.00 0.00 35.95 35.98 3ie0 h PHE 204 CO 0.00 0.72 -0.10 -0.07 -0.00 0.00 0.00 178.31 178.86 3ie0 h LEU 205 N 0.44 -0.24 -0.58 0.59 3.38 -0.66 -2.38 115.31 115.86 3ie0 h LEU 205 Ca 0.10 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.95 3ie0 h LEU 205 Cb 0.45 0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.15 3ie0 h LEU 205 CO 0.02 0.09 -0.45 -0.33 0.09 0.00 0.00 178.44 177.85 3ie0 h GLU 206 N -0.58 -0.23 -0.79 1.13 5.08 -0.77 0.94 114.58 119.37 3ie0 h GLU 206 Ca -0.03 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.39 3ie0 h GLU 206 Cb 0.43 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 3ie0 h GLU 206 CO 0.05 -0.15 0.52 0.82 -1.00 0.00 0.00 179.01 179.24 3ie0 h ILE 207 N -0.23 1.09 -0.41 3.13 2.04 -1.47 0.36 117.51 122.03 3ie0 h ILE 207 Ca 0.17 -0.32 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 3ie0 h ILE 207 Cb 0.56 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3ie0 h ILE 207 CO -0.69 0.17 0.11 -0.07 0.00 0.00 0.00 178.15 177.67 3ie0 h LEU 208 N 0.93 0.60 0.38 1.44 3.38 -0.33 -1.02 115.31 120.69 3ie0 h LEU 208 Ca 0.32 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3ie0 h LEU 208 Cb 0.11 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3ie0 h LEU 208 CO -0.10 0.67 -0.18 -0.33 0.09 0.00 0.00 178.44 178.59 3ie0 h GLU 209 N 0.51 -0.49 -0.96 1.13 4.39 -0.79 0.73 114.58 119.11 3ie0 h GLU 209 Ca 0.13 0.03 0.28 0.00 0.34 0.00 0.00 59.36 60.14 3ie0 h GLU 209 Cb 0.29 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 3ie0 h GLU 209 CO -0.00 -0.18 0.70 -0.22 -1.16 0.00 0.00 179.01 178.15 3ie0 h LYS 210 N -0.97 0.00 0.00 2.33 1.63 -0.96 0.68 116.57 119.29 3ie0 h LYS 210 Ca -0.05 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.60 3ie0 h LYS 210 Cb 0.53 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.13 3ie0 h LYS 210 CO 0.08 0.00 -2.01 0.25 -3.45 0.00 0.00 179.45 174.33 3ie0 n THR 211 N -4.22 0.57 0.82 1.00 -2.24 -0.39 -4.14 114.28 105.68 3ie0 n THR 211 Ca 0.20 -0.57 0.12 0.00 -2.27 0.00 0.00 64.05 61.53 3ie0 n THR 211 Cb 1.03 -0.22 0.29 0.00 -2.10 0.00 0.00 70.33 69.33 3ie0 n THR 211 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3ie0 n LEU 212 N -2.38 0.51 0.07 3.22 4.77 0.25 -1.00 117.00 122.44 3ie0 n LEU 212 Ca -0.15 0.20 0.12 0.00 -0.03 0.00 0.00 56.01 56.15 3ie0 n LEU 212 Cb 0.76 -0.27 0.10 0.00 -2.33 0.00 0.00 43.42 41.68 3ie0 n LEU 212 CO 0.38 0.02 0.21 0.28 -1.33 0.00 0.00 177.39 176.95 3ie0 h SER 213 N 0.00 0.00 -0.23 -1.43 0.02 -1.08 -3.29 113.55 107.54 3ie0 h SER 213 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3ie0 h SER 213 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 3ie0 h SER 213 CO 0.00 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.78 3ie0 n GLN 214 N -2.26 2.44 -1.01 3.45 6.02 -1.22 -4.93 117.38 119.87 3ie0 n GLN 214 Ca 0.02 -2.14 -0.00 0.00 -0.01 0.00 0.00 57.00 54.87 3ie0 n GLN 214 Cb 0.47 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 30.24 3ie0 n GLN 214 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ie0 n GLY 215 N 1.44 0.47 3.92 1.08 0.00 -1.23 -4.93 105.19 105.94 3ie0 n GLY 215 Ca 0.17 -0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 3ie0 n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie0 s GLY 216 N -2.16 1.54 0.39 -0.02 0.00 -0.17 -2.96 107.32 103.94 3ie0 s GLY 216 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 44.72 44.03 3ie0 s GLY 216 CO 0.00 -0.50 0.70 0.54 0.00 0.00 0.00 173.10 173.84 3ie0 s LYS 217 N -4.34 3.65 -0.29 2.90 1.02 -1.26 -3.36 119.74 118.05 3ie0 s LYS 217 Ca 0.45 0.21 0.02 0.00 0.02 0.00 0.00 55.97 56.66 3ie0 s LYS 217 Cb -0.10 -2.48 0.08 0.00 -0.52 0.00 0.00 37.83 34.81 3ie0 s LYS 217 CO 0.39 0.00 0.02 0.08 -0.92 0.00 0.00 175.35 174.91 3ie0 s VAL 218 N -2.39 1.71 -0.18 3.17 1.01 0.27 -2.37 120.40 121.63 3ie0 s VAL 218 Ca 0.47 -1.72 -0.23 0.00 0.00 0.00 0.00 61.98 60.50 3ie0 s VAL 218 Cb -0.10 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 3ie0 s VAL 218 CO 0.35 -0.42 0.72 -0.76 0.00 0.00 0.00 175.10 174.99 3ie0 s LEU 219 N 1.24 4.17 -0.46 3.92 1.02 -1.09 -0.85 118.68 126.63 3ie0 s LEU 219 Ca 0.04 1.00 0.03 0.00 0.02 0.00 0.00 54.13 55.21 3ie0 s LEU 219 Cb -0.19 -3.05 0.13 0.00 0.02 0.00 0.00 46.19 43.11 3ie0 s LEU 219 CO -0.11 -0.32 0.23 -0.63 0.02 0.00 0.00 176.35 175.54 3ie0 s ILE 220 N 1.95 1.80 -0.02 -0.59 1.01 0.85 -1.61 121.20 124.58 3ie0 s ILE 220 Ca 0.33 -2.75 -0.30 0.00 0.00 0.00 0.00 60.65 57.94 3ie0 s ILE 220 Cb -0.16 -2.26 -0.06 0.00 0.01 0.00 0.00 42.46 39.99 3ie0 s ILE 220 CO 0.12 -0.84 1.59 -2.16 0.00 0.00 0.00 174.94 173.64 3ie0 s PRO 221 N 0.22 4.21 0.07 2.79 0.04 -1.26 -3.18 135.00 137.89 3ie0 s PRO 221 Ca 0.17 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.38 3ie0 s PRO 221 Cb -0.25 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.44 3ie0 s PRO 221 CO -0.01 -0.77 -0.06 0.95 0.04 0.00 0.00 177.00 177.16 3ie0 s THR 222 N 3.40 0.53 0.19 1.26 -4.23 0.11 -4.51 115.64 112.39 3ie0 s THR 222 Ca 0.71 -1.71 -0.29 0.00 -1.18 0.00 0.00 61.69 59.21 3ie0 s THR 222 Cb -0.34 -1.39 -0.08 0.00 1.34 0.00 0.00 72.50 72.03 3ie0 s THR 222 CO 0.29 -0.80 0.92 -0.36 -0.54 0.00 0.00 174.62 174.12 3ie0 s PHE 223 N -3.22 3.92 -0.08 3.99 0.40 -1.26 -3.88 117.98 117.86 3ie0 s PHE 223 Ca 0.06 1.84 0.00 0.00 -0.60 0.00 0.00 56.93 58.22 3ie0 s PHE 223 Cb 0.03 -2.97 0.09 0.00 0.51 0.00 0.00 43.02 40.67 3ie0 s PHE 223 CO -0.05 0.39 1.49 0.00 0.70 0.00 0.00 175.22 177.76 3ie0 n ALA 224 N 1.90 3.53 0.00 5.36 0.00 -1.26 -2.28 120.51 127.75 3ie0 n ALA 224 Ca -0.01 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3ie0 n ALA 224 Cb 0.48 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3ie0 n ALA 224 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ie0 n VAL 225 N 0.62 0.00 0.00 0.00 0.31 -1.26 -4.02 118.33 113.98 3ie0 n VAL 225 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 3ie0 n VAL 225 Cb 0.61 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 3ie0 n VAL 225 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3ie0 n GLU 226 N -2.40 0.00 -0.29 5.55 4.07 -1.25 -4.89 120.64 121.42 3ie0 n GLU 226 Ca 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 57.16 57.03 3ie0 n GLU 226 Cb 0.24 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.56 3ie0 n GLU 226 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3ie0 n ARG 227 N -1.99 -0.30 -0.18 5.31 3.00 -1.26 -1.84 116.66 119.40 3ie0 n ARG 227 Ca 0.00 1.08 -0.05 0.00 -0.01 0.00 0.00 57.85 58.87 3ie0 n ARG 227 Cb 0.00 -1.58 -0.04 0.00 0.00 0.00 0.00 32.46 30.83 3ie0 n ARG 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ie0 n ALA 228 N -3.40 -0.27 0.27 7.54 0.00 -0.97 0.13 120.51 123.80 3ie0 n ALA 228 Ca 0.01 0.36 0.14 0.00 0.00 0.00 0.00 53.44 53.96 3ie0 n ALA 228 Cb 0.18 0.12 0.74 0.00 0.00 0.00 0.00 19.45 20.49 3ie0 n ALA 228 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3ie0 h GLN 229 N 0.00 0.00 -0.16 0.00 -0.00 -1.71 -1.17 115.11 112.07 3ie0 h GLN 229 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.61 3ie0 h GLN 229 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.66 3ie0 h GLN 229 CO -0.40 0.10 -0.33 1.49 -0.00 0.00 0.00 178.83 179.69 3ie0 h GLU 230 N 0.00 0.50 -0.43 0.06 4.81 0.18 -2.23 114.58 117.47 3ie0 h GLU 230 Ca -0.00 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 3ie0 h GLU 230 Cb 0.39 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 3ie0 h GLU 230 CO 0.01 0.94 0.15 0.82 -0.73 0.00 0.00 179.01 180.20 3ie0 h ILE 231 N 0.13 1.21 -0.29 2.32 1.08 0.10 -1.49 117.51 120.58 3ie0 h ILE 231 Ca 0.00 -0.69 0.08 0.00 -0.39 0.00 0.00 64.86 63.86 3ie0 h ILE 231 Cb 0.93 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 3ie0 h ILE 231 CO 0.07 0.25 0.21 -0.07 -0.69 0.00 0.00 178.15 177.92 3ie0 h LEU 232 N 0.55 0.00 0.11 1.44 3.38 -1.22 -1.04 115.31 118.53 3ie0 h LEU 232 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3ie0 h LEU 232 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3ie0 h LEU 232 CO -0.01 0.00 -0.05 0.22 0.09 0.00 0.00 178.44 178.69 3ie0 h TYR 233 N 0.00 -0.14 0.00 1.13 3.20 -0.65 -1.48 116.97 119.03 3ie0 h TYR 233 Ca 0.14 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.00 3ie0 h TYR 233 Cb 0.55 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.87 3ie0 h TYR 233 CO 0.00 0.26 0.06 0.28 -1.64 0.00 0.00 178.16 177.12 3ie0 n VAL 234 N -4.96 1.03 -0.06 1.81 0.31 -0.49 -0.88 118.33 115.10 3ie0 n VAL 234 Ca -0.09 0.72 -0.02 0.00 -0.01 0.00 0.00 64.34 64.94 3ie0 n VAL 234 Cb 0.24 -1.72 -0.01 0.00 -0.91 0.00 0.00 33.84 31.44 3ie0 n VAL 234 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ie0 h LEU 235 N 0.00 0.00 -0.67 7.52 3.38 -0.89 -3.25 115.31 121.40 3ie0 h LEU 235 Ca 0.00 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.06 3ie0 h LEU 235 Cb 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.78 3ie0 h LEU 235 CO 0.00 0.63 0.27 0.22 0.09 0.00 0.00 178.44 179.65 3ie0 h TYR 236 N -1.00 0.47 0.00 1.13 3.20 -0.56 1.45 116.97 121.66 3ie0 h TYR 236 Ca -0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3ie0 h TYR 236 Cb 0.25 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3ie0 h TYR 236 CO -0.09 0.11 0.00 0.25 -1.64 0.00 0.00 178.16 176.79 3ie0 n THR 237 N -4.98 0.00 -1.97 1.81 -2.24 -0.06 -3.37 114.28 103.48 3ie0 n THR 237 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3ie0 n THR 237 Cb 0.31 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 3ie0 n THR 237 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ie0 n HIS 238 N -0.94 0.00 1.80 4.78 8.25 -0.28 -4.83 115.22 124.01 3ie0 n HIS 238 Ca 0.19 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.74 3ie0 n HIS 238 Cb 0.09 0.05 0.49 0.00 1.12 0.00 0.00 29.99 31.74 3ie0 n HIS 238 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ie0 n GLY 239 N 0.00 -0.67 0.00 -1.41 0.00 0.48 -3.77 105.19 99.82 3ie0 n GLY 239 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.87 3ie0 n GLY 239 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3ie0 n HIS 240 N -0.50 0.00 0.00 1.61 1.44 -1.26 -3.76 115.22 112.75 3ie0 n HIS 240 Ca 0.14 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.85 3ie0 n HIS 240 Cb 0.13 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.24 3ie0 n HIS 240 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 3ie0 n ARG 241 N -0.77 0.00 -1.62 -1.40 0.63 -1.25 -5.11 116.66 107.14 3ie0 n ARG 241 Ca 0.07 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.55 3ie0 n ARG 241 Cb 0.03 -0.37 -0.02 0.00 0.45 0.00 0.00 32.46 32.55 3ie0 n ARG 241 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3ie0 n LEU 242 N -1.01 2.33 -4.77 6.15 4.77 -1.25 -4.90 117.00 118.32 3ie0 n LEU 242 Ca 0.00 1.17 -0.40 0.00 -0.03 0.00 0.00 56.01 56.76 3ie0 n LEU 242 Cb 0.00 -1.34 -0.01 0.00 -2.33 0.00 0.00 43.42 39.74 3ie0 n LEU 242 CO 0.00 -1.05 0.95 -2.16 -1.33 0.00 0.00 177.39 173.80 3ie0 s PRO 243 N -1.29 4.10 -0.37 3.23 0.04 -1.26 -4.86 135.00 134.59 3ie0 s PRO 243 Ca 0.61 2.14 -0.39 0.00 0.04 0.00 0.00 61.00 63.41 3ie0 s PRO 243 Cb -0.69 -2.85 -0.14 0.00 0.04 0.00 0.00 34.50 30.86 3ie0 s PRO 243 CO 0.58 -0.38 2.07 0.54 0.04 0.00 0.00 177.00 179.85 3ie0 n ARG 244 N 0.34 0.81 -3.62 4.56 5.12 -1.26 -4.90 116.66 117.71 3ie0 n ARG 244 Ca 0.03 0.24 -0.03 0.00 -1.93 0.00 0.00 57.85 56.16 3ie0 n ARG 244 Cb 0.43 -2.13 -0.05 0.00 -1.16 0.00 0.00 32.46 29.55 3ie0 n ARG 244 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ie0 s ALA 245 N 6.07 -2.08 0.14 7.54 0.00 -1.26 -4.96 121.76 127.21 3ie0 s ALA 245 Ca 1.10 2.34 -0.33 0.00 0.00 0.00 0.00 51.96 55.06 3ie0 s ALA 245 Cb -1.08 -1.67 -0.13 0.00 0.00 0.00 0.00 23.12 20.24 3ie0 s ALA 245 CO 0.58 -0.68 1.67 -0.35 0.00 0.00 0.00 175.76 176.98 3ie0 n PRO 246 N 4.84 2.37 -3.34 0.00 -0.04 -1.26 -4.75 135.00 132.81 3ie0 n PRO 246 Ca -0.15 0.86 -0.42 0.00 -0.04 0.00 0.00 63.50 63.74 3ie0 n PRO 246 Cb 0.54 -2.67 -0.09 0.00 -0.04 0.00 0.00 33.50 31.24 3ie0 n PRO 246 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ie0 s ILE 247 N 1.54 5.11 -0.07 0.52 1.01 -1.25 -3.07 121.20 125.01 3ie0 s ILE 247 Ca 0.80 -0.25 -0.17 0.00 0.00 0.00 0.00 60.65 61.02 3ie0 s ILE 247 Cb -0.62 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 37.82 3ie0 s ILE 247 CO 0.38 -0.33 0.47 -0.31 0.00 0.00 0.00 174.94 175.14 3ie0 s TYR 248 N 2.09 3.60 -0.91 3.97 1.51 0.12 -0.08 117.35 127.65 3ie0 s TYR 248 Ca 0.12 0.95 -0.05 0.00 -1.01 0.00 0.00 57.07 57.08 3ie0 s TYR 248 Cb -0.17 -2.48 0.23 0.00 -0.11 0.00 0.00 41.96 39.43 3ie0 s TYR 248 CO 0.13 0.33 0.82 -1.17 -1.11 0.00 0.00 175.55 174.55 3ie0 s LEU 249 N 0.02 5.81 -1.30 -1.29 2.96 0.22 -1.24 118.68 123.86 3ie0 s LEU 249 Ca 0.26 -3.51 -0.18 0.00 -0.22 0.00 0.00 54.13 50.48 3ie0 s LEU 249 Cb -0.16 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.56 3ie0 s LEU 249 CO 0.12 -0.26 1.89 -0.67 -1.32 0.00 0.00 176.35 176.11 3ie0 n ASP 250 N 2.68 4.33 -3.15 3.68 -0.08 0.60 -1.06 116.55 123.55 3ie0 n ASP 250 Ca 0.20 -2.86 0.05 0.00 -1.51 0.00 0.00 54.79 50.67 3ie0 n ASP 250 Cb 0.38 -1.69 -0.01 0.00 2.34 0.00 0.00 41.12 42.14 3ie0 n ASP 250 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3ie0 s SER 251 N 4.28 -0.71 0.20 1.67 0.15 -1.26 -4.05 113.70 113.98 3ie0 s SER 251 Ca 0.54 0.34 -0.11 0.00 0.70 0.00 0.00 55.95 57.43 3ie0 s SER 251 Cb 0.07 1.55 0.19 0.00 -1.71 0.00 0.00 66.02 66.12 3ie0 s SER 251 CO 0.05 -0.13 1.81 -0.65 1.20 0.00 0.00 173.24 175.52 3ie0 h PRO 252 N 7.87 0.66 0.04 5.44 0.11 -1.81 -2.85 132.00 141.46 3ie0 h PRO 252 Ca -0.13 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.76 3ie0 h PRO 252 Cb 1.17 -0.15 0.02 0.00 0.11 0.00 0.00 31.00 32.15 3ie0 h PRO 252 CO -0.01 0.44 -0.71 1.98 -0.21 0.00 0.00 178.00 179.48 3ie0 h MET 253 N 0.68 0.41 -0.79 1.05 1.85 -1.95 -3.17 114.93 113.02 3ie0 h MET 253 Ca 0.27 -0.50 0.23 0.00 -0.61 0.00 0.00 59.70 59.09 3ie0 h MET 253 Cb 0.12 0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.27 3ie0 h MET 253 CO -0.15 1.16 0.73 0.00 -0.40 0.00 0.00 176.91 178.25 3ie0 h ALA 254 N 0.27 2.62 -0.01 0.39 0.00 -1.67 0.64 119.26 121.49 3ie0 h ALA 254 Ca -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ie0 h ALA 254 Cb 1.45 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3ie0 h ALA 254 CO 0.14 -1.13 -0.09 0.78 0.00 0.00 0.00 179.25 178.95 3ie0 h GLY 255 N 0.00 0.08 0.16 0.00 0.00 -1.48 -2.38 103.07 99.45 3ie0 h GLY 255 Ca 0.37 -0.13 0.22 0.00 0.00 0.00 0.00 47.33 47.79 3ie0 h GLY 255 CO -0.00 0.12 0.62 3.21 0.00 0.00 0.00 176.54 180.49 3ie0 h ARG 256 N -0.61 0.43 -0.20 4.80 3.08 0.24 0.78 114.38 122.90 3ie0 h ARG 256 Ca -0.01 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 3ie0 h ARG 256 Cb 0.81 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 3ie0 h ARG 256 CO 0.02 0.29 -0.34 0.28 -1.07 0.00 0.00 179.97 179.15 3ie0 h VAL 257 N 0.45 1.33 0.00 2.04 2.07 -1.26 -2.13 116.25 118.74 3ie0 h VAL 257 Ca 0.52 -1.56 -0.06 0.00 0.82 0.00 0.00 66.70 66.42 3ie0 h VAL 257 Cb 1.24 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 3ie0 h VAL 257 CO -0.23 0.48 -0.27 0.25 0.02 0.00 0.00 177.57 177.82 3ie0 h LEU 258 N 0.26 0.00 -0.55 2.57 5.85 -0.09 -0.34 115.31 123.01 3ie0 h LEU 258 Ca 0.02 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.58 3ie0 h LEU 258 Cb 0.93 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3ie0 h LEU 258 CO 0.08 0.27 -0.71 -1.28 -0.34 0.00 0.00 178.44 176.46 3ie0 h SER 259 N 0.00 0.15 0.94 1.25 0.87 0.57 -3.25 113.55 114.07 3ie0 h SER 259 Ca -0.00 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 3ie0 h SER 259 Cb 0.48 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3ie0 h SER 259 CO 0.03 0.80 -1.09 0.25 -0.53 0.00 0.00 176.83 176.29 3ie0 h LEU 260 N 0.08 0.00 -1.62 2.23 5.85 -0.88 -3.39 115.31 117.58 3ie0 h LEU 260 Ca -0.02 0.00 0.30 0.00 0.84 0.00 0.00 57.88 59.00 3ie0 h LEU 260 Cb 1.25 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.20 3ie0 h LEU 260 CO 0.10 0.15 0.74 1.88 -0.34 0.00 0.00 178.44 180.96 3ie0 h TYR 261 N 0.00 0.39 -0.03 1.25 0.99 -1.11 -1.70 116.97 116.76 3ie0 h TYR 261 Ca -0.04 0.01 -0.08 0.00 2.00 0.00 0.00 58.73 60.62 3ie0 h TYR 261 Cb 1.15 -0.11 -0.01 0.00 1.00 0.00 0.00 36.73 38.76 3ie0 h TYR 261 CO 0.00 0.03 -0.36 -1.35 -0.00 0.00 0.00 178.16 176.47 3ie0 h PRO 262 N 0.22 0.07 0.00 4.88 0.11 -1.78 -2.79 132.00 132.70 3ie0 h PRO 262 Ca 0.58 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.66 3ie0 h PRO 262 Cb 1.81 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.92 3ie0 h PRO 262 CO -0.18 0.42 0.00 0.54 -0.21 0.00 0.00 178.00 178.57 3ie0 n ARG 263 N -4.09 0.05 -0.96 1.05 1.74 -0.64 -2.73 116.66 111.08 3ie0 n ARG 263 Ca -0.02 0.06 -0.11 0.00 -0.77 0.00 0.00 57.85 57.01 3ie0 n ARG 263 Cb 0.41 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.56 3ie0 n ARG 263 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ie0 n LEU 264 N -1.47 5.31 -0.25 0.55 4.32 -1.05 -4.80 117.00 119.61 3ie0 n LEU 264 Ca 0.07 -3.59 0.05 0.00 -0.02 0.00 0.00 56.01 52.52 3ie0 n LEU 264 Cb 0.29 -0.72 0.17 0.00 -1.62 0.00 0.00 43.42 41.54 3ie0 n LEU 264 CO 0.23 1.08 0.85 1.62 -1.22 0.00 0.00 177.39 179.96 3ie0 h VAL 265 N 1.28 0.39 0.00 4.08 3.04 -1.60 -1.23 116.25 122.20 3ie0 h VAL 265 Ca 0.36 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 3ie0 h VAL 265 Cb 2.17 0.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 3ie0 h VAL 265 CO 0.68 0.03 0.00 -2.11 -1.01 0.00 0.00 177.57 175.16 3ie0 n ARG 266 N -5.29 0.04 -0.09 4.17 1.85 -1.26 -3.02 116.66 113.06 3ie0 n ARG 266 Ca 0.14 0.28 0.08 0.00 -1.00 0.00 0.00 57.85 57.35 3ie0 n ARG 266 Cb 0.48 -1.58 0.32 0.00 -1.05 0.00 0.00 32.46 30.62 3ie0 n ARG 266 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3ie0 n TYR 267 N -1.67 0.24 -3.64 2.89 4.01 -0.47 -4.91 117.16 113.61 3ie0 n TYR 267 Ca 0.03 -0.12 -0.23 0.00 -0.16 0.00 0.00 57.90 57.43 3ie0 n TYR 267 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.21 3ie0 n TYR 267 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3ie0 s PHE 268 N -1.76 2.18 0.83 -0.72 0.08 -1.17 -4.58 117.98 112.84 3ie0 s PHE 268 Ca 0.27 -0.65 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 3ie0 s PHE 268 Cb 0.14 -2.08 0.09 0.00 -0.57 0.00 0.00 43.02 40.61 3ie0 s PHE 268 CO 0.21 -0.35 1.10 -1.54 -0.10 0.00 0.00 175.22 174.55 3ie0 s SER 269 N -4.23 3.91 0.56 1.36 1.04 0.22 -4.63 113.70 111.92 3ie0 s SER 269 Ca 0.44 1.84 0.25 0.00 0.48 0.00 0.00 55.95 58.97 3ie0 s SER 269 Cb -0.03 -2.47 1.50 0.00 0.10 0.00 0.00 66.02 65.12 3ie0 s SER 269 CO 0.27 -2.42 2.07 -0.33 0.98 0.00 0.00 173.24 173.80 3ie0 h GLU 270 N -1.39 0.00 0.40 4.02 5.08 -1.89 -1.89 114.58 118.90 3ie0 h GLU 270 Ca -0.45 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3ie0 h GLU 270 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3ie0 h GLU 270 CO 0.50 0.00 -0.19 1.49 -1.00 0.00 0.00 179.01 179.80 3ie0 h GLU 271 N 0.00 -0.52 0.00 2.33 4.81 -1.89 -1.41 114.58 117.89 3ie0 h GLU 271 Ca 0.13 0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3ie0 h GLU 271 Cb 0.61 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 3ie0 h GLU 271 CO -0.00 -0.28 -0.09 0.28 -0.73 0.00 0.00 179.01 178.20 3ie0 h VAL 272 N -0.68 0.49 0.00 0.32 2.07 -1.65 -0.38 116.25 116.42 3ie0 h VAL 272 Ca -0.06 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3ie0 h VAL 272 Cb 0.49 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3ie0 h VAL 272 CO 0.09 0.08 -0.20 0.00 0.02 0.00 0.00 177.57 177.56 3ie0 n GLN 273 N -3.61 0.12 -0.03 1.57 6.02 -0.89 -2.43 117.38 118.14 3ie0 n GLN 273 Ca -0.02 0.07 -0.00 0.00 -0.01 0.00 0.00 57.00 57.04 3ie0 n GLN 273 Cb 0.20 -1.61 -0.00 0.00 1.02 0.00 0.00 30.24 29.85 3ie0 n GLN 273 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ie0 h ALA 274 N 2.79 -0.03 -0.80 -1.58 0.00 0.05 -2.19 119.26 117.50 3ie0 h ALA 274 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.07 3ie0 h ALA 274 Cb 0.60 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 3ie0 h ALA 274 CO 0.00 -0.03 0.53 0.45 0.00 0.00 0.00 179.25 180.20 3ie0 h HIS 275 N -0.72 0.51 -0.32 0.00 3.86 -1.59 0.29 115.15 117.17 3ie0 h HIS 275 Ca -0.00 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.09 3ie0 h HIS 275 Cb 0.02 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 3ie0 h HIS 275 CO 0.00 0.18 -0.32 0.74 0.86 0.00 0.00 177.93 179.40 3ie0 h PHE 276 N 0.43 0.94 0.00 2.45 0.04 -1.60 -2.79 116.94 116.40 3ie0 h PHE 276 Ca 0.40 -0.28 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 3ie0 h PHE 276 Cb 0.92 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 3ie0 h PHE 276 CO -0.00 1.06 -0.16 1.25 -0.60 0.00 0.00 178.31 179.86 3ie0 h LEU 277 N 0.55 0.00 0.00 1.54 5.85 0.11 -1.29 115.31 122.07 3ie0 h LEU 277 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3ie0 h LEU 277 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3ie0 h LEU 277 CO 0.08 0.16 0.00 0.00 -0.34 0.00 0.00 178.44 178.33 3ie0 n GLN 278 N -4.20 0.84 -0.16 1.25 3.00 0.26 -4.89 117.38 113.49 3ie0 n GLN 278 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3ie0 n GLN 278 Cb 0.23 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 29.26 3ie0 n GLN 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ie0 n GLY 279 N 0.49 1.28 3.12 1.08 0.00 -0.48 -5.05 105.19 105.62 3ie0 n GLY 279 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 3ie0 n GLY 279 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ie0 s LYS 280 N -0.49 2.38 -0.43 1.61 2.36 -1.21 -5.05 119.74 118.90 3ie0 s LYS 280 Ca 0.00 -0.64 -0.29 0.00 -2.55 0.00 0.00 55.97 52.49 3ie0 s LYS 280 Cb 0.00 -1.86 -0.08 0.00 -1.05 0.00 0.00 37.83 34.84 3ie0 s LYS 280 CO 0.00 0.10 2.35 -1.71 1.55 0.00 0.00 175.35 177.64 3ie0 n ASN 281 N 3.69 2.39 0.00 1.43 2.85 -1.26 -4.15 115.26 120.21 3ie0 n ASN 281 Ca -0.21 -0.10 0.05 0.00 -0.11 0.00 0.00 54.58 54.22 3ie0 n ASN 281 Cb 0.52 -1.47 0.27 0.00 1.24 0.00 0.00 39.78 40.34 3ie0 n ASN 281 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 3ie0 n PRO 282 N 8.77 0.14 -1.06 1.20 -0.04 -1.26 -2.45 135.00 140.30 3ie0 n PRO 282 Ca 0.38 0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 63.91 3ie0 n PRO 282 Cb 0.42 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.63 3ie0 n PRO 282 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ie0 n PHE 283 N -1.30 2.60 -3.45 0.54 3.72 -1.26 -4.48 117.46 113.83 3ie0 n PHE 283 Ca 0.05 -1.40 -0.26 0.00 -0.05 0.00 0.00 57.45 55.78 3ie0 n PHE 283 Cb 0.09 -0.77 -0.09 0.00 -0.94 0.00 0.00 39.48 37.77 3ie0 n PHE 283 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ie0 n ARG 284 N -0.49 1.26 -1.62 -1.08 5.12 -1.02 -4.82 116.66 114.00 3ie0 n ARG 284 Ca 0.46 -3.84 -0.37 0.00 -1.93 0.00 0.00 57.85 52.18 3ie0 n ARG 284 Cb 1.46 -1.82 0.07 0.00 -1.16 0.00 0.00 32.46 31.01 3ie0 n ARG 284 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3ie0 n PRO 285 N 1.77 0.92 -1.58 5.56 -0.04 -1.26 -4.78 135.00 135.58 3ie0 n PRO 285 Ca 0.25 0.37 -0.62 0.00 -0.04 0.00 0.00 63.50 63.46 3ie0 n PRO 285 Cb 0.45 -2.36 -0.09 0.00 -0.04 0.00 0.00 33.50 31.46 3ie0 n PRO 285 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ie0 n ALA 286 N -2.00 -2.02 -1.56 0.55 0.00 -1.26 -0.45 120.51 113.77 3ie0 n ALA 286 Ca 0.15 0.51 -0.15 0.00 0.00 0.00 0.00 53.44 53.95 3ie0 n ALA 286 Cb 0.48 -1.77 -0.05 0.00 0.00 0.00 0.00 19.45 18.11 3ie0 n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie0 n GLY 287 N 3.01 1.23 3.54 0.00 0.00 -1.26 -4.71 105.19 107.00 3ie0 n GLY 287 Ca 0.26 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.56 3ie0 n GLY 287 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ie0 n LEU 288 N -1.72 1.85 -3.63 0.99 7.94 0.40 -3.74 117.00 119.09 3ie0 n LEU 288 Ca -0.15 0.84 -0.27 0.00 -1.11 0.00 0.00 56.01 55.32 3ie0 n LEU 288 Cb 0.50 -1.26 -0.16 0.00 0.53 0.00 0.00 43.42 43.03 3ie0 n LEU 288 CO 0.22 -2.38 -0.34 -0.70 -1.11 0.00 0.00 177.39 173.08 3ie0 s GLU 289 N -2.18 0.26 -0.31 1.96 2.56 0.89 -4.87 118.70 117.00 3ie0 s GLU 289 Ca 0.69 -0.30 -0.17 0.00 0.00 0.00 0.00 54.97 55.19 3ie0 s GLU 289 Cb -0.48 -1.78 -0.02 0.00 2.00 0.00 0.00 34.13 33.85 3ie0 s GLU 289 CO 0.53 -0.75 0.48 0.08 -0.56 0.00 0.00 175.26 175.05 3ie0 s VAL 290 N 2.04 5.07 0.96 3.70 1.01 -1.26 0.73 120.40 132.64 3ie0 s VAL 290 Ca 0.03 0.55 -0.12 0.00 0.00 0.00 0.00 61.98 62.44 3ie0 s VAL 290 Cb -0.16 -3.87 0.17 0.00 0.00 0.00 0.00 36.38 32.51 3ie0 s VAL 290 CO -0.15 -0.05 1.09 -0.69 0.00 0.00 0.00 175.10 175.30 3ie0 s VAL 291 N 2.30 2.39 0.00 2.92 1.01 -0.23 -4.90 120.40 123.89 3ie0 s VAL 291 Ca 0.19 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.29 3ie0 s VAL 291 Cb -0.16 -2.54 0.00 0.00 0.00 0.00 0.00 36.38 33.69 3ie0 s VAL 291 CO 0.11 -0.16 0.00 -1.84 0.00 0.00 0.00 175.10 173.21 3ie0 n GLU 292 N -4.11 0.00 -1.98 2.72 -0.00 -1.26 -4.57 120.64 111.44 3ie0 n GLU 292 Ca 0.06 0.00 -0.28 0.00 -0.00 0.00 0.00 57.16 56.94 3ie0 n GLU 292 Cb 0.56 0.00 0.10 0.00 -0.00 0.00 0.00 31.44 32.10 3ie0 n GLU 292 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 3ie0 s HIS 293 N 0.00 2.68 0.00 -1.84 3.76 -1.26 -4.61 115.29 114.01 3ie0 s HIS 293 Ca 0.00 0.59 -0.25 0.00 -0.15 0.00 0.00 55.06 55.25 3ie0 s HIS 293 Cb 0.00 -3.54 -0.18 0.00 1.11 0.00 0.00 32.58 29.97 3ie0 s HIS 293 CO 0.00 -1.86 1.28 1.15 -0.85 0.00 0.00 174.74 174.46 3ie0 h THR 294 N -1.06 1.03 -0.83 1.30 2.02 -2.00 -3.11 112.91 110.25 3ie0 h THR 294 Ca -0.45 -0.80 0.20 0.00 0.77 0.00 0.00 66.41 66.13 3ie0 h THR 294 Cb 1.31 1.51 -0.13 0.00 -1.74 0.00 0.00 68.15 69.11 3ie0 h THR 294 CO 0.59 0.18 0.25 1.05 0.37 0.00 0.00 175.52 177.97 3ie0 h GLU 295 N -0.57 0.28 -0.98 6.66 9.09 -1.99 0.36 114.58 127.44 3ie0 h GLU 295 Ca -0.02 -0.02 0.04 0.00 0.05 0.00 0.00 59.36 59.41 3ie0 h GLU 295 Cb 0.44 -0.06 -0.06 0.00 -1.65 0.00 0.00 28.75 27.42 3ie0 h GLU 295 CO 0.03 0.18 0.64 0.00 0.05 0.00 0.00 179.01 179.91 3ie0 h ALA 296 N 1.70 1.30 0.20 1.06 0.00 -1.96 -2.69 119.26 118.87 3ie0 h ALA 296 Ca 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 3ie0 h ALA 296 Cb 0.94 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ie0 h ALA 296 CO -0.57 0.51 -0.09 1.03 0.00 0.00 0.00 179.25 180.13 3ie0 h SER 297 N 1.22 -0.22 0.00 0.00 0.87 -0.26 -2.51 113.55 112.65 3ie0 h SER 297 Ca 0.39 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3ie0 h SER 297 Cb 0.02 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3ie0 h SER 297 CO -0.13 0.02 0.28 0.11 -0.53 0.00 0.00 176.83 176.58 3ie0 h LYS 298 N -0.47 0.00 -0.00 2.24 1.79 -0.98 0.39 116.57 119.54 3ie0 h LYS 298 Ca -0.03 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3ie0 h LYS 298 Cb 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 3ie0 h LYS 298 CO 0.04 0.00 -0.15 0.00 -1.08 0.00 0.00 179.45 178.27 3ie0 n ALA 299 N -1.75 2.75 1.43 3.86 0.00 -0.94 -3.41 120.51 122.44 3ie0 n ALA 299 Ca -0.02 -0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.35 3ie0 n ALA 299 Cb 0.31 -1.35 0.48 0.00 0.00 0.00 0.00 19.45 18.89 3ie0 n ALA 299 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3ie0 n LEU 300 N -1.34 1.60 -0.03 0.00 4.77 0.14 -1.93 117.00 120.20 3ie0 n LEU 300 Ca 0.09 -0.56 -0.04 0.00 -0.03 0.00 0.00 56.01 55.47 3ie0 n LEU 300 Cb 0.31 -0.02 -0.13 0.00 -2.33 0.00 0.00 43.42 41.25 3ie0 n LEU 300 CO 0.28 0.28 -0.72 0.59 -1.33 0.00 0.00 177.39 176.48 3ie0 n ASN 301 N 0.25 0.44 -0.04 -1.43 3.02 -1.22 -4.26 115.26 112.03 3ie0 n ASN 301 Ca 0.18 0.20 -0.08 0.00 -0.03 0.00 0.00 54.58 54.85 3ie0 n ASN 301 Cb 0.36 0.65 -0.14 0.00 -0.61 0.00 0.00 39.78 40.04 3ie0 n ASN 301 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3ie0 n ARG 302 N -2.79 0.65 -2.33 3.52 1.74 -1.22 -4.89 116.66 111.32 3ie0 n ARG 302 Ca -0.19 0.21 -0.41 0.00 -0.77 0.00 0.00 57.85 56.69 3ie0 n ARG 302 Cb 0.97 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 30.66 3ie0 n ARG 302 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie0 s ALA 303 N -2.59 3.45 0.65 7.54 0.00 -0.81 -5.02 121.76 124.98 3ie0 s ALA 303 Ca -0.06 1.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.80 3ie0 s ALA 303 Cb 0.08 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.76 3ie0 s ALA 303 CO 0.83 -0.39 1.04 -1.25 0.00 0.00 0.00 175.76 175.99 3ie0 s PRO 304 N -0.66 3.27 0.35 0.00 0.04 -1.26 -4.91 135.00 131.84 3ie0 s PRO 304 Ca 0.51 0.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.11 3ie0 s PRO 304 Cb -0.34 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.20 3ie0 s PRO 304 CO 0.40 -0.75 0.48 0.41 0.04 0.00 0.00 177.00 177.57 3ie0 n GLY 305 N -2.83 -0.25 3.78 0.56 0.00 -1.17 -4.79 105.19 100.49 3ie0 n GLY 305 Ca 0.06 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.91 3ie0 n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ie0 s PRO 306 N -3.83 3.14 -0.21 1.61 0.04 -1.15 -4.78 135.00 129.82 3ie0 s PRO 306 Ca 0.29 1.37 -0.31 0.00 0.04 0.00 0.00 61.00 62.39 3ie0 s PRO 306 Cb -0.01 -2.00 0.15 0.00 0.04 0.00 0.00 34.50 32.68 3ie0 s PRO 306 CO 0.20 -0.97 1.19 0.00 0.04 0.00 0.00 177.00 177.45 3ie0 s MET 307 N -3.88 0.32 -0.10 4.56 0.23 -1.21 -4.52 119.30 114.70 3ie0 s MET 307 Ca 0.67 0.01 0.02 0.00 -1.03 0.00 0.00 55.69 55.36 3ie0 s MET 307 Cb -0.19 0.15 -0.01 0.00 -1.53 0.00 0.00 34.83 33.25 3ie0 s MET 307 CO 0.36 -0.11 -0.17 0.08 -2.03 0.00 0.00 175.02 173.14 3ie0 s VAL 308 N -1.50 2.71 -0.02 5.16 1.01 -1.17 -0.56 120.40 126.03 3ie0 s VAL 308 Ca 0.05 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.28 3ie0 s VAL 308 Cb -0.01 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 3ie0 s VAL 308 CO -0.04 0.55 -0.16 -0.69 0.00 0.00 0.00 175.10 174.76 3ie0 s VAL 309 N 0.12 1.26 -0.12 2.92 1.01 -0.03 0.13 120.40 125.69 3ie0 s VAL 309 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3ie0 s VAL 309 Cb -0.15 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.20 3ie0 s VAL 309 CO 0.05 0.36 -0.10 -0.76 0.00 0.00 0.00 175.10 174.65 3ie0 s LEU 310 N -0.32 1.38 0.25 3.92 1.02 -0.37 -0.10 118.68 124.45 3ie0 s LEU 310 Ca 0.05 -0.36 0.01 0.00 0.02 0.00 0.00 54.13 53.85 3ie0 s LEU 310 Cb -0.07 -0.95 -0.03 0.00 0.02 0.00 0.00 46.19 45.16 3ie0 s LEU 310 CO -0.00 -0.08 0.21 0.00 0.02 0.00 0.00 176.35 176.49 3ie0 s ALA 311 N 1.54 1.26 0.45 4.21 0.00 -1.19 -0.29 121.76 127.74 3ie0 s ALA 311 Ca 0.03 -1.75 0.05 0.00 0.00 0.00 0.00 51.96 50.29 3ie0 s ALA 311 Cb -0.13 1.39 -0.04 0.00 0.00 0.00 0.00 23.12 24.33 3ie0 s ALA 311 CO -0.08 -0.64 0.10 0.20 0.00 0.00 0.00 175.76 175.34 3ie0 s GLY 312 N -3.22 2.59 1.07 0.00 0.00 -1.25 0.05 107.32 106.56 3ie0 s GLY 312 Ca 0.38 -1.61 -0.17 0.00 0.00 0.00 0.00 44.72 43.32 3ie0 s GLY 312 CO 0.17 -2.06 1.18 -0.56 0.00 0.00 0.00 173.10 171.83 3ie0 s SER 313 N -3.87 2.14 -0.03 1.64 0.01 0.15 -1.27 113.70 112.47 3ie0 s SER 313 Ca 0.28 0.59 -0.26 0.00 1.31 0.00 0.00 55.95 57.88 3ie0 s SER 313 Cb 0.05 -0.84 -0.20 0.00 0.21 0.00 0.00 66.02 65.23 3ie0 s SER 313 CO 0.15 -3.36 1.23 1.23 0.41 0.00 0.00 173.24 172.90 3ie0 h GLY 314 N -2.06 0.03 -3.32 3.44 0.00 -1.83 -3.16 103.07 96.16 3ie0 h GLY 314 Ca -0.46 -0.03 -0.27 0.00 0.00 0.00 0.00 47.33 46.57 3ie0 h GLY 314 CO 0.41 0.03 0.35 1.03 0.00 0.00 0.00 176.54 178.36 3ie0 n MET 315 N -4.81 1.67 -2.60 4.80 2.81 -1.26 -4.65 117.12 113.08 3ie0 n MET 315 Ca -0.08 -1.35 -0.08 0.00 -1.81 0.00 0.00 57.70 54.38 3ie0 n MET 315 Cb 0.28 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 31.25 3ie0 n MET 315 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ie0 n LEU 316 N 0.39 -0.57 0.31 4.03 4.77 -1.20 -4.70 117.00 120.03 3ie0 n LEU 316 Ca 0.26 0.27 0.18 0.00 -0.03 0.00 0.00 56.01 56.68 3ie0 n LEU 316 Cb 0.63 -1.54 1.00 0.00 -2.33 0.00 0.00 43.42 41.19 3ie0 n LEU 316 CO 0.32 -0.04 1.13 0.00 -1.33 0.00 0.00 177.39 177.48 3ie0 h ALA 317 N 0.99 1.32 0.00 -1.18 0.00 -1.87 -3.45 119.26 115.08 3ie0 h ALA 317 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3ie0 h ALA 317 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3ie0 h ALA 317 CO 0.20 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.87 3ie0 n GLY 318 N -1.16 0.06 4.72 0.00 0.00 -1.26 -4.95 105.19 102.60 3ie0 n GLY 318 Ca -0.03 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3ie0 n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie0 n GLY 319 N 0.00 -0.90 0.22 -0.02 0.00 -1.26 0.31 105.19 103.54 3ie0 n GLY 319 Ca 0.00 -1.43 0.12 0.00 0.00 0.00 0.00 46.02 44.71 3ie0 n GLY 319 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ie0 h ARG 320 N 0.00 0.00 -0.40 1.61 3.08 -1.86 -3.31 114.38 113.50 3ie0 h ARG 320 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3ie0 h ARG 320 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3ie0 h ARG 320 CO 0.00 0.05 0.02 0.97 -1.07 0.00 0.00 179.97 179.93 3ie0 h ILE 321 N 0.00 1.21 0.00 2.04 6.09 -1.37 -2.25 117.51 123.23 3ie0 h ILE 321 Ca -0.00 -0.85 0.00 0.00 -1.37 0.00 0.00 64.86 62.64 3ie0 h ILE 321 Cb 0.94 0.89 0.00 0.00 0.47 0.00 0.00 36.82 39.12 3ie0 h ILE 321 CO 0.01 0.30 0.00 0.18 -3.07 0.00 0.00 178.15 175.56 3ie0 n LEU 322 N -4.26 0.11 0.04 2.19 4.77 -1.25 -2.41 117.00 116.19 3ie0 n LEU 322 Ca 0.02 0.53 -0.20 0.00 -0.03 0.00 0.00 56.01 56.33 3ie0 n LEU 322 Cb 0.26 -0.53 -0.14 0.00 -2.33 0.00 0.00 43.42 40.68 3ie0 n LEU 322 CO 0.40 -0.39 -0.09 0.45 -1.33 0.00 0.00 177.39 176.43 3ie0 h HIS 323 N 0.00 0.51 0.00 -1.77 3.86 -1.62 -2.78 115.15 113.35 3ie0 h HIS 323 Ca 0.00 -0.37 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 3ie0 h HIS 323 Cb 0.19 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.64 3ie0 h HIS 323 CO 0.00 1.38 0.00 0.45 0.86 0.00 0.00 177.93 180.62 3ie0 h HIS 324 N -0.36 0.00 0.01 2.45 3.86 -1.54 -2.54 115.15 117.02 3ie0 h HIS 324 Ca -0.19 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.78 3ie0 h HIS 324 Cb 1.67 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 30.11 3ie0 h HIS 324 CO 0.18 0.00 -1.22 1.25 0.86 0.00 0.00 177.93 179.00 3ie0 h LEU 325 N 0.00 0.02 -0.43 2.43 5.85 -1.56 0.12 115.31 121.74 3ie0 h LEU 325 Ca 0.00 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 3ie0 h LEU 325 Cb 0.53 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3ie0 h LEU 325 CO 0.00 1.02 -0.63 0.50 -0.34 0.00 0.00 178.44 178.99 3ie0 h LYS 326 N 0.00 0.00 0.00 1.25 3.64 -1.17 -3.31 116.57 116.99 3ie0 h LYS 326 Ca -0.10 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.05 3ie0 h LYS 326 Cb 1.85 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.63 3ie0 h LYS 326 CO 0.12 0.63 -1.86 0.72 -2.27 0.00 0.00 179.45 176.79 3ie0 n HIS 327 N -3.48 0.00 -2.34 1.91 8.25 -1.03 -4.73 115.22 113.80 3ie0 n HIS 327 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 3ie0 n HIS 327 Cb 0.70 -0.60 0.02 0.00 1.12 0.00 0.00 29.99 31.23 3ie0 n HIS 327 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ie0 n GLY 328 N 2.56 5.79 0.00 -1.41 0.00 0.42 -4.35 105.19 108.20 3ie0 n GLY 328 Ca -0.24 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.17 3ie0 n GLY 328 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ie0 n LEU 329 N -0.37 0.00 -0.13 0.99 7.94 -1.24 -4.75 117.00 119.43 3ie0 n LEU 329 Ca 0.46 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.51 3ie0 n LEU 329 Cb 0.35 0.00 0.76 0.00 0.53 0.00 0.00 43.42 45.05 3ie0 n LEU 329 CO 0.45 0.00 0.99 -1.54 -1.11 0.00 0.00 177.39 176.19 3ie0 n SER 330 N -0.38 0.45 -4.69 1.96 3.41 -1.15 -0.45 113.62 112.78 3ie0 n SER 330 Ca 0.00 -0.94 -0.36 0.00 -0.26 0.00 0.00 58.87 57.31 3ie0 n SER 330 Cb 0.02 -0.04 -0.09 0.00 -0.26 0.00 0.00 64.21 63.85 3ie0 n SER 330 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ie0 s ASP 331 N -2.16 6.21 0.52 4.04 3.68 -1.26 -4.59 116.67 123.10 3ie0 s ASP 331 Ca 0.39 0.23 0.30 0.00 2.13 0.00 0.00 52.55 55.60 3ie0 s ASP 331 Cb 0.21 -2.12 1.41 0.00 -1.45 0.00 0.00 42.92 40.97 3ie0 s ASP 331 CO 0.40 0.09 2.03 1.55 0.13 0.00 0.00 175.17 179.36 3ie0 h PRO 332 N 7.16 0.00 0.00 4.34 0.13 -1.86 -2.69 132.00 139.08 3ie0 h PRO 332 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3ie0 h PRO 332 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3ie0 h PRO 332 CO 0.70 0.11 0.00 0.54 -0.23 0.00 0.00 178.00 179.13 3ie0 n ARG 333 N -3.42 0.11 -2.19 0.86 1.74 -1.26 -4.56 116.66 107.94 3ie0 n ARG 333 Ca -0.01 0.20 -0.27 0.00 -0.77 0.00 0.00 57.85 57.00 3ie0 n ARG 333 Cb 0.28 -1.65 0.11 0.00 -1.02 0.00 0.00 32.46 30.18 3ie0 n ARG 333 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3ie0 s ASN 334 N -3.65 4.23 -0.26 0.55 0.01 -1.02 -4.23 114.94 110.57 3ie0 s ASN 334 Ca 0.10 0.26 -0.09 0.00 -0.71 0.00 0.00 52.86 52.42 3ie0 s ASN 334 Cb 0.13 -0.67 0.12 0.00 0.41 0.00 0.00 41.25 41.24 3ie0 s ASN 334 CO 0.46 -1.99 0.56 0.00 -1.51 0.00 0.00 177.10 174.63 3ie0 s ALA 335 N -3.43 -1.71 -0.06 0.60 0.00 -1.00 -3.17 121.76 113.00 3ie0 s ALA 335 Ca 0.65 2.02 -0.21 0.00 0.00 0.00 0.00 51.96 54.43 3ie0 s ALA 335 Cb -0.08 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 3ie0 s ALA 335 CO 0.47 -0.87 0.59 -1.17 0.00 0.00 0.00 175.76 174.78 3ie0 s LEU 336 N 2.79 4.34 -0.15 0.00 0.20 0.23 -2.66 118.68 123.44 3ie0 s LEU 336 Ca -0.04 1.06 -0.00 0.00 0.69 0.00 0.00 54.13 55.83 3ie0 s LEU 336 Cb -0.12 -2.90 0.03 0.00 -0.43 0.00 0.00 46.19 42.77 3ie0 s LEU 336 CO -0.17 -0.00 -0.09 -0.69 -0.29 0.00 0.00 176.35 175.11 3ie0 s VAL 337 N 0.41 1.26 -0.39 1.68 1.01 -0.63 0.78 120.40 124.53 3ie0 s VAL 337 Ca 0.32 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.55 3ie0 s VAL 337 Cb -0.17 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.92 3ie0 s VAL 337 CO 0.15 0.31 0.59 -0.36 0.00 0.00 0.00 175.10 175.79 3ie0 s PHE 338 N 1.59 3.13 -0.06 5.22 0.08 0.76 -4.14 117.98 124.56 3ie0 s PHE 338 Ca 0.03 0.12 0.13 0.00 0.12 0.00 0.00 56.93 57.33 3ie0 s PHE 338 Cb -0.14 -3.13 -0.23 0.00 -0.57 0.00 0.00 43.02 38.95 3ie0 s PHE 338 CO -0.09 -0.69 0.61 1.33 -0.10 0.00 0.00 175.22 176.28 3ie0 n VAL 339 N 5.62 1.56 -3.42 -0.44 0.24 -1.26 -1.48 118.33 119.14 3ie0 n VAL 339 Ca -0.03 -0.80 -0.22 0.00 -2.04 0.00 0.00 64.34 61.25 3ie0 n VAL 339 Cb 0.48 -0.96 0.02 0.00 -1.47 0.00 0.00 33.84 31.92 3ie0 n VAL 339 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ie0 s GLY 340 N -5.13 2.03 0.25 7.63 0.00 -1.26 -3.55 107.32 107.29 3ie0 s GLY 340 Ca -0.05 -1.75 -0.30 0.00 0.00 0.00 0.00 44.72 42.63 3ie0 s GLY 340 CO 0.83 -1.78 1.05 -0.47 0.00 0.00 0.00 173.10 172.72 3ie0 s TYR 341 N -2.68 3.70 -0.24 1.90 6.14 -1.26 -4.94 117.35 119.96 3ie0 s TYR 341 Ca 0.49 1.75 -0.02 0.00 0.64 0.00 0.00 57.07 59.93 3ie0 s TYR 341 Cb -0.04 -3.20 0.02 0.00 0.42 0.00 0.00 41.96 39.16 3ie0 s TYR 341 CO 0.31 -0.27 -0.06 -0.65 0.64 0.00 0.00 175.55 175.52 3ie0 s GLN 342 N -1.21 2.92 1.09 4.97 -1.52 -1.26 -4.78 119.66 119.87 3ie0 s GLN 342 Ca 0.44 -0.92 -0.18 0.00 -1.95 0.00 0.00 55.36 52.75 3ie0 s GLN 342 Cb -0.30 -2.98 0.27 0.00 -0.22 0.00 0.00 33.01 29.78 3ie0 s GLN 342 CO 0.38 -0.37 0.92 -0.35 -0.25 0.00 0.00 175.29 175.62 3ie0 n PRO 343 N 4.69 -3.10 -3.48 2.91 -0.04 -1.26 -4.81 135.00 129.91 3ie0 n PRO 343 Ca -0.17 -1.47 -0.37 0.00 -0.04 0.00 0.00 63.50 61.45 3ie0 n PRO 343 Cb 0.48 -1.45 -0.07 0.00 -0.04 0.00 0.00 33.50 32.42 3ie0 n PRO 343 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3ie0 s GLN 344 N -5.09 4.24 0.00 0.54 0.00 -1.26 -3.92 119.66 114.16 3ie0 s GLN 344 Ca 0.61 0.14 0.00 0.00 -0.00 0.00 0.00 55.36 56.10 3ie0 s GLN 344 Cb -0.07 -3.46 0.00 0.00 0.00 0.00 0.00 33.01 29.48 3ie0 s GLN 344 CO 0.47 0.15 0.00 0.41 0.00 0.00 0.00 175.29 176.33 3ie0 n GLY 345 N 3.56 2.77 3.82 2.60 0.00 -1.26 -5.06 105.19 111.62 3ie0 n GLY 345 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 3ie0 n GLY 345 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie0 s GLY 346 N -2.76 2.34 0.57 -0.02 0.00 -1.25 -4.90 107.32 101.30 3ie0 s GLY 346 Ca 0.00 0.39 0.39 0.00 0.00 0.00 0.00 44.72 45.49 3ie0 s GLY 346 CO 0.00 0.67 1.59 -2.00 0.00 0.00 0.00 173.10 173.36 3ie0 h LEU 347 N 1.67 0.00 0.66 0.66 5.85 -1.86 0.29 115.31 122.57 3ie0 h LEU 347 Ca -0.49 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 3ie0 h LEU 347 Cb 1.19 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.22 3ie0 h LEU 347 CO 0.61 0.00 -0.31 1.23 -0.34 0.00 0.00 178.44 179.62 3ie0 h GLY 348 N 0.00 -0.92 -0.58 3.75 0.00 -1.88 -2.38 103.07 101.06 3ie0 h GLY 348 Ca 0.66 0.34 0.35 0.00 0.00 0.00 0.00 47.33 48.67 3ie0 h GLY 348 CO -0.01 -0.33 0.77 0.00 0.00 0.00 0.00 176.54 176.97 3ie0 h ALA 349 N -0.91 2.54 -0.11 3.60 0.00 -1.08 0.30 119.26 123.61 3ie0 h ALA 349 Ca -0.09 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3ie0 h ALA 349 Cb 0.71 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ie0 h ALA 349 CO 0.15 -1.04 -0.09 0.93 0.00 0.00 0.00 179.25 179.20 3ie0 h GLU 350 N 0.23 0.25 -0.03 0.00 5.08 -1.49 -1.42 114.58 117.20 3ie0 h GLU 350 Ca 0.69 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.92 3ie0 h GLU 350 Cb 2.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 3ie0 h GLU 350 CO -0.31 0.64 0.00 0.82 -1.00 0.00 0.00 179.01 179.16 3ie0 h ILE 351 N -0.14 1.02 0.00 3.13 2.04 0.02 -0.76 117.51 122.83 3ie0 h ILE 351 Ca 0.02 -0.08 -0.16 0.00 1.00 0.00 0.00 64.86 65.64 3ie0 h ILE 351 Cb 0.59 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 3ie0 h ILE 351 CO 0.02 0.03 -0.78 0.40 0.00 0.00 0.00 178.15 177.82 3ie0 h ILE 352 N 0.05 1.52 0.00 -0.67 2.04 -0.81 -3.01 117.51 116.63 3ie0 h ILE 352 Ca 0.01 -2.69 0.00 0.00 1.00 0.00 0.00 64.86 63.18 3ie0 h ILE 352 Cb 0.03 2.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 3ie0 h ILE 352 CO -0.00 0.76 0.00 0.00 0.00 0.00 0.00 178.15 178.91 3ie0 h ALA 353 N 1.22 1.00 -4.74 1.87 0.00 -0.00 -3.46 119.26 115.15 3ie0 h ALA 353 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.61 3ie0 h ALA 353 Cb 1.40 0.00 0.11 0.00 0.00 0.00 0.00 17.79 19.31 3ie0 h ALA 353 CO 0.10 0.00 -0.54 -2.13 0.00 0.00 0.00 179.25 176.68 3ie0 n ARG 354 N -2.68 -5.78 -1.27 0.00 3.00 -1.14 -5.01 116.66 103.79 3ie0 n ARG 354 Ca -0.02 0.64 -0.31 0.00 -0.00 0.00 0.00 57.85 58.17 3ie0 n ARG 354 Cb 0.09 -5.09 0.10 0.00 0.00 0.00 0.00 32.46 27.56 3ie0 n ARG 354 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3ie0 s PRO 355 N -5.69 1.98 0.55 -0.14 0.04 -1.26 -4.90 135.00 125.58 3ie0 s PRO 355 Ca 0.30 1.03 0.32 0.00 0.04 0.00 0.00 61.00 62.70 3ie0 s PRO 355 Cb -0.13 -1.88 1.56 0.00 0.04 0.00 0.00 34.50 34.09 3ie0 s PRO 355 CO 0.56 -1.80 2.08 -1.00 0.04 0.00 0.00 177.00 176.88 3ie0 h PRO 356 N -1.24 0.00 -2.54 0.56 0.13 -1.95 -3.39 132.00 123.57 3ie0 h PRO 356 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 3ie0 h PRO 356 Cb 1.25 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.14 3ie0 h PRO 356 CO 0.53 0.07 -0.17 0.00 -0.23 0.00 0.00 178.00 178.20 3ie0 s ALA 357 N -3.95 -1.21 0.05 -0.56 0.00 -1.26 -3.04 121.76 111.78 3ie0 s ALA 357 Ca -0.02 1.49 0.08 0.00 0.00 0.00 0.00 51.96 53.51 3ie0 s ALA 357 Cb 0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.32 3ie0 s ALA 357 CO 0.54 -0.25 -0.19 0.08 0.00 0.00 0.00 175.76 175.94 3ie0 s VAL 358 N 0.65 2.71 -0.16 0.00 1.01 0.49 -4.91 120.40 120.18 3ie0 s VAL 358 Ca -0.03 -1.26 -0.22 0.00 0.00 0.00 0.00 61.98 60.48 3ie0 s VAL 358 Cb -0.05 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3ie0 s VAL 358 CO -0.04 0.31 0.65 -0.60 0.00 0.00 0.00 175.10 175.42 3ie0 s ARG 359 N -1.50 4.28 -0.06 2.72 3.52 -1.26 0.43 118.95 127.08 3ie0 s ARG 359 Ca 0.15 0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 56.42 3ie0 s ARG 359 Cb -0.10 -3.54 0.04 0.00 -1.56 0.00 0.00 34.95 29.78 3ie0 s ARG 359 CO 0.05 -0.15 0.11 0.42 -0.81 0.00 0.00 175.30 174.92 3ie0 s ILE 360 N 1.60 -0.14 -1.44 4.11 1.01 0.11 -4.88 121.20 121.58 3ie0 s ILE 360 Ca 0.31 0.30 -0.05 0.00 0.00 0.00 0.00 60.65 61.22 3ie0 s ILE 360 Cb -0.16 -0.21 0.03 0.00 0.01 0.00 0.00 42.46 42.13 3ie0 s ILE 360 CO 0.12 0.13 0.63 0.18 0.00 0.00 0.00 174.94 175.99 3ie0 n LEU 361 N 4.82 -2.43 -2.10 2.97 4.77 -1.26 -1.73 117.00 122.05 3ie0 n LEU 361 Ca -0.14 -0.92 -0.14 0.00 -0.03 0.00 0.00 56.01 54.77 3ie0 n LEU 361 Cb 0.50 -2.37 0.03 0.00 -2.33 0.00 0.00 43.42 39.25 3ie0 n LEU 361 CO 0.11 0.41 0.04 0.61 -1.33 0.00 0.00 177.39 177.23 3ie0 n GLY 362 N -1.76 -0.06 3.30 -0.72 0.00 -1.26 -5.03 105.19 99.67 3ie0 n GLY 362 Ca -0.20 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 3ie0 n GLY 362 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie0 s GLU 363 N -5.40 0.73 -0.76 1.61 2.02 -0.70 -5.11 118.70 111.10 3ie0 s GLU 363 Ca 0.23 -0.04 -0.19 0.00 0.02 0.00 0.00 54.97 54.99 3ie0 s GLU 363 Cb -0.10 0.33 0.12 0.00 0.10 0.00 0.00 34.13 34.58 3ie0 s GLU 363 CO 0.29 -0.20 0.93 -2.00 0.02 0.00 0.00 175.26 174.30 3ie0 s GLU 364 N -1.18 3.32 -0.17 1.61 2.56 -1.26 0.10 118.70 123.67 3ie0 s GLU 364 Ca -0.12 -1.49 -0.21 0.00 0.00 0.00 0.00 54.97 53.16 3ie0 s GLU 364 Cb -0.04 -4.52 -0.03 0.00 2.00 0.00 0.00 34.13 31.54 3ie0 s GLU 364 CO 0.05 -1.67 0.61 0.54 -0.56 0.00 0.00 175.26 174.23 3ie0 s VAL 365 N 2.75 5.05 -0.04 3.70 0.11 0.17 -4.83 120.40 127.31 3ie0 s VAL 365 Ca 0.23 1.17 -0.30 0.00 -2.93 0.00 0.00 61.98 60.14 3ie0 s VAL 365 Cb -0.14 -3.93 -0.06 0.00 -1.53 0.00 0.00 36.38 30.72 3ie0 s VAL 365 CO -0.00 0.16 1.62 -2.84 -3.33 0.00 0.00 175.10 170.70 3ie0 s PRO 366 N 1.62 4.19 -1.41 1.54 0.02 -1.26 -0.38 135.00 139.32 3ie0 s PRO 366 Ca 0.29 2.16 -0.13 0.00 0.02 0.00 0.00 61.00 63.35 3ie0 s PRO 366 Cb -0.16 -3.90 0.08 0.00 0.02 0.00 0.00 34.50 30.53 3ie0 s PRO 366 CO 0.11 -0.81 2.14 -0.11 -0.33 0.00 0.00 177.00 178.00 3ie0 n LEU 367 N 6.81 6.85 -0.03 -5.54 7.94 -1.17 -2.91 117.00 128.95 3ie0 n LEU 367 Ca 0.17 -4.30 -0.08 0.00 -1.11 0.00 0.00 56.01 50.69 3ie0 n LEU 367 Cb 0.43 -1.60 -0.14 0.00 0.53 0.00 0.00 43.42 42.63 3ie0 n LEU 367 CO 0.62 1.21 -0.58 0.54 -1.11 0.00 0.00 177.39 178.07 3ie0 n ARG 368 N 5.37 0.64 -2.08 1.96 1.74 -0.97 -4.90 116.66 118.41 3ie0 n ARG 368 Ca 0.49 0.26 -0.39 0.00 -0.77 0.00 0.00 57.85 57.44 3ie0 n ARG 368 Cb 0.38 -1.76 -0.00 0.00 -1.02 0.00 0.00 32.46 30.05 3ie0 n ARG 368 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie0 s ALA 369 N -2.61 3.21 0.29 7.54 0.00 0.41 -4.44 121.76 126.16 3ie0 s ALA 369 Ca -0.05 1.19 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 3ie0 s ALA 369 Cb 0.08 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 3ie0 s ALA 369 CO 0.83 -0.80 1.16 -1.54 0.00 0.00 0.00 175.76 175.41 3ie0 s SER 370 N -0.83 7.12 -0.16 0.00 1.04 -1.19 -4.77 113.70 114.90 3ie0 s SER 370 Ca 0.58 2.40 -0.06 0.00 0.48 0.00 0.00 55.95 59.34 3ie0 s SER 370 Cb -0.37 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.08 3ie0 s SER 370 CO 0.47 -0.26 0.06 -0.69 0.98 0.00 0.00 173.24 173.79 3ie0 s VAL 371 N -1.14 4.74 -0.03 5.02 1.01 -1.26 0.77 120.40 129.52 3ie0 s VAL 371 Ca 0.46 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.41 3ie0 s VAL 371 Cb -0.34 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 32.93 3ie0 s VAL 371 CO 0.45 0.50 -0.10 -1.00 0.00 0.00 0.00 175.10 174.95 3ie0 s HIS 372 N 0.05 1.00 -0.03 5.22 3.76 0.23 -4.94 115.29 120.59 3ie0 s HIS 372 Ca 0.05 -0.25 0.04 0.00 -0.15 0.00 0.00 55.06 54.76 3ie0 s HIS 372 Cb -0.12 -0.70 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 3ie0 s HIS 372 CO 0.01 -0.10 -0.15 0.99 -0.85 0.00 0.00 174.74 174.65 3ie0 s THR 373 N 0.14 3.02 -0.62 1.30 2.01 -1.26 -0.17 115.64 120.06 3ie0 s THR 373 Ca -0.02 -0.83 0.05 0.00 0.31 0.00 0.00 61.69 61.20 3ie0 s THR 373 Cb -0.08 -2.21 0.20 0.00 0.01 0.00 0.00 72.50 70.42 3ie0 s THR 373 CO 0.00 0.52 0.55 0.18 -0.69 0.00 0.00 174.62 175.19 3ie0 n LEU 374 N 2.10 2.53 0.00 4.42 4.77 -0.55 -4.93 117.00 125.34 3ie0 n LEU 374 Ca -0.17 -5.12 0.00 0.00 -0.03 0.00 0.00 56.01 50.69 3ie0 n LEU 374 Cb 0.52 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3ie0 n LEU 374 CO 0.26 1.88 0.06 0.61 -1.33 0.00 0.00 177.39 178.87 3ie0 n GLY 375 N 1.73 0.00 0.13 -0.72 0.00 -1.26 -1.81 105.19 103.26 3ie0 n GLY 375 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.05 3ie0 n GLY 375 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie0 n GLY 376 N -0.59 -0.55 0.00 -0.02 0.00 -1.26 -3.59 105.19 99.19 3ie0 n GLY 376 Ca 0.00 -0.22 0.06 0.00 0.00 0.00 0.00 46.02 45.86 3ie0 n GLY 376 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ie0 n PHE 377 N -3.56 0.00 -1.73 1.61 3.01 -0.75 -4.75 117.46 111.28 3ie0 n PHE 377 Ca -0.35 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 57.72 3ie0 n PHE 377 Cb 1.00 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 40.50 3ie0 n PHE 377 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3ie0 n TYR 378 N -0.90 2.28 0.00 1.38 0.53 -1.23 -4.77 117.16 114.45 3ie0 n TYR 378 Ca 0.10 0.44 0.00 0.00 -1.02 0.00 0.00 57.90 57.42 3ie0 n TYR 378 Cb 0.04 -2.37 0.00 0.00 -1.03 0.00 0.00 39.34 35.98 3ie0 n TYR 378 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3ie0 n GLY 379 N 0.76 -0.85 3.47 2.72 0.00 -1.26 -4.71 105.19 105.32 3ie0 n GLY 379 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 3ie0 n GLY 379 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ie0 n HIS 380 N -1.98 -0.68 -2.03 1.61 8.25 -1.26 -0.97 115.22 118.16 3ie0 n HIS 380 Ca 0.00 0.37 -0.42 0.00 -0.26 0.00 0.00 57.72 57.41 3ie0 n HIS 380 Cb 0.00 -1.94 -0.03 0.00 1.12 0.00 0.00 29.99 29.15 3ie0 n HIS 380 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ie0 s ALA 381 N -1.86 3.64 0.97 -1.41 0.00 -1.17 -4.12 121.76 117.83 3ie0 s ALA 381 Ca 0.67 1.06 -0.11 0.00 0.00 0.00 0.00 51.96 53.59 3ie0 s ALA 381 Cb -0.37 -3.68 0.18 0.00 0.00 0.00 0.00 23.12 19.25 3ie0 s ALA 381 CO 0.57 -1.10 1.12 0.20 0.00 0.00 0.00 175.76 176.55 3ie0 s GLY 382 N 2.42 1.66 0.19 0.00 0.00 -1.26 -4.47 107.32 105.87 3ie0 s GLY 382 Ca 0.71 0.47 -0.21 0.00 0.00 0.00 0.00 44.72 45.69 3ie0 s GLY 382 CO 0.30 0.95 1.58 -1.61 0.00 0.00 0.00 173.10 174.32 3ie0 h GLN 383 N -2.07 -0.13 -0.65 2.90 4.15 -1.04 0.43 115.11 118.71 3ie0 h GLN 383 Ca -0.47 0.01 0.18 0.00 0.77 0.00 0.00 58.65 59.14 3ie0 h GLN 383 Cb 1.28 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.97 3ie0 h GLN 383 CO 0.43 -0.08 0.46 0.38 -1.93 0.00 0.00 178.83 178.08 3ie0 h ASP 384 N -0.13 0.04 0.01 -0.69 -0.00 -1.86 -0.89 116.42 112.90 3ie0 h ASP 384 Ca 0.25 0.00 -0.00 0.00 -0.00 0.00 0.00 57.03 57.28 3ie0 h ASP 384 Cb 0.56 -0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.89 3ie0 h ASP 384 CO -0.76 0.02 -0.01 -0.33 -0.00 0.00 0.00 179.24 178.17 3ie0 h GLU 385 N 0.04 -0.02 -0.91 4.15 5.08 -0.52 -2.98 114.58 119.43 3ie0 h GLU 385 Ca 0.31 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.87 3ie0 h GLU 385 Cb 1.18 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.31 3ie0 h GLU 385 CO -0.02 0.73 0.45 -0.07 -1.00 0.00 0.00 179.01 179.10 3ie0 h LEU 386 N -0.80 0.46 -1.11 1.33 4.07 0.06 0.37 115.31 119.68 3ie0 h LEU 386 Ca -0.00 0.13 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 3ie0 h LEU 386 Cb 0.75 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 3ie0 h LEU 386 CO 0.00 0.09 0.10 -0.07 -1.08 0.00 0.00 178.44 177.48 3ie0 h LEU 387 N 0.51 0.68 -0.12 1.67 3.38 -1.27 -1.61 115.31 118.54 3ie0 h LEU 387 Ca 0.55 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 3ie0 h LEU 387 Cb 0.97 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3ie0 h LEU 387 CO -0.47 0.68 0.03 0.44 0.09 0.00 0.00 178.44 179.21 3ie0 h ASP 388 N 0.71 0.19 0.71 -0.43 3.45 -0.13 -2.44 116.42 118.48 3ie0 h ASP 388 Ca 0.16 -0.23 -0.03 0.00 0.43 0.00 0.00 57.03 57.35 3ie0 h ASP 388 Cb 0.28 -0.05 0.01 0.00 -0.56 0.00 0.00 39.33 39.01 3ie0 h ASP 388 CO -0.00 0.37 -0.34 -0.25 -1.57 0.00 0.00 179.24 177.45 3ie0 h TRP 389 N -0.00 -0.89 0.00 4.55 7.01 -1.03 -2.48 115.95 123.12 3ie0 h TRP 389 Ca 0.04 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3ie0 h TRP 389 Cb 0.25 0.29 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 3ie0 h TRP 389 CO 0.01 -0.55 0.00 1.28 -2.79 0.00 0.00 178.44 176.38 3ie0 n LEU 390 N -5.50 0.00 -4.66 0.65 7.99 -0.63 -4.76 117.00 110.09 3ie0 n LEU 390 Ca -0.14 0.41 -0.56 0.00 -0.01 0.00 0.00 56.01 55.71 3ie0 n LEU 390 Cb 0.39 -0.41 -0.07 0.00 -0.11 0.00 0.00 43.42 43.22 3ie0 n LEU 390 CO 0.39 -0.35 1.15 1.67 -1.51 0.00 0.00 177.39 178.73 3ie0 n GLN 391 N -1.41 1.10 0.00 3.23 -0.06 -0.92 -1.56 117.38 117.76 3ie0 n GLN 391 Ca 0.01 0.40 0.00 0.00 -2.00 0.00 0.00 57.00 55.41 3ie0 n GLN 391 Cb 0.04 -2.06 0.00 0.00 -4.06 0.00 0.00 30.24 24.16 3ie0 n GLN 391 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3ie0 n GLY 392 N 3.52 1.93 3.73 1.69 0.00 -1.26 -5.04 105.19 109.76 3ie0 n GLY 392 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3ie0 n GLY 392 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie0 s GLU 393 N -0.37 4.55 0.00 1.61 0.41 -0.60 -4.99 118.70 119.31 3ie0 s GLU 393 Ca 0.00 1.20 -0.23 0.00 -0.41 0.00 0.00 54.97 55.53 3ie0 s GLU 393 Cb 0.00 -3.40 -0.18 0.00 -1.78 0.00 0.00 34.13 28.77 3ie0 s GLU 393 CO 0.00 0.17 1.25 -1.00 -0.49 0.00 0.00 175.26 175.19 3ie0 h PRO 394 N 6.00 0.22 -5.90 0.39 0.13 -1.87 -3.44 132.00 127.54 3ie0 h PRO 394 Ca -0.43 -0.14 -0.67 0.00 -0.87 0.00 0.00 66.00 63.89 3ie0 h PRO 394 Cb 1.21 0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.13 3ie0 h PRO 394 CO 0.72 0.72 -0.73 1.03 -0.23 0.00 0.00 178.00 179.51 3ie0 s ARG 395 N -4.00 2.95 -0.12 0.86 1.81 -1.25 -0.02 118.95 119.17 3ie0 s ARG 395 Ca -0.15 -0.62 -0.04 0.00 -1.72 0.00 0.00 55.73 53.20 3ie0 s ARG 395 Cb 0.03 -2.58 0.06 0.00 -0.45 0.00 0.00 34.95 32.01 3ie0 s ARG 395 CO 0.73 0.49 0.14 0.08 -0.68 0.00 0.00 175.30 176.06 3ie0 s VAL 396 N -0.36 -0.21 -0.34 3.52 1.01 -0.52 -2.63 120.40 120.86 3ie0 s VAL 396 Ca 0.05 0.15 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 3ie0 s VAL 396 Cb -0.12 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 35.85 3ie0 s VAL 396 CO 0.02 -0.02 0.18 -0.69 0.00 0.00 0.00 175.10 174.60 3ie0 s VAL 397 N 2.25 4.65 0.25 2.92 1.01 -0.74 -1.93 120.40 128.81 3ie0 s VAL 397 Ca 0.04 -0.59 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 3ie0 s VAL 397 Cb -0.14 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.69 3ie0 s VAL 397 CO -0.07 -0.07 0.88 -0.76 0.00 0.00 0.00 175.10 175.08 3ie0 s LEU 398 N 1.60 4.50 0.00 3.92 1.02 -0.75 -2.25 118.68 126.72 3ie0 s LEU 398 Ca 0.04 1.78 0.05 0.00 0.02 0.00 0.00 54.13 56.01 3ie0 s LEU 398 Cb -0.18 -3.67 -0.02 0.00 0.02 0.00 0.00 46.19 42.34 3ie0 s LEU 398 CO 0.07 0.08 0.33 1.33 0.02 0.00 0.00 176.35 178.18 3ie0 n VAL 399 N 1.11 0.00 -2.99 -1.59 0.24 -0.39 -1.59 118.33 113.13 3ie0 n VAL 399 Ca -0.02 -2.13 -0.00 0.00 -2.04 0.00 0.00 64.34 60.15 3ie0 n VAL 399 Cb 0.49 1.13 -0.00 0.00 -1.47 0.00 0.00 33.84 33.98 3ie0 n VAL 399 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3ie0 n HIS 400 N -0.59 -1.62 0.00 6.34 -0.00 0.22 -2.88 115.22 116.69 3ie0 n HIS 400 Ca 0.05 0.76 0.00 0.00 -0.00 0.00 0.00 57.72 58.53 3ie0 n HIS 400 Cb 0.57 -2.19 0.00 0.00 -0.00 0.00 0.00 29.99 28.37 3ie0 n HIS 400 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ie0 n GLY 401 N 1.25 4.09 3.71 1.57 0.00 0.57 -2.27 105.19 114.12 3ie0 n GLY 401 Ca -0.03 -1.10 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 3ie0 n GLY 401 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ie0 n GLU 402 N -1.61 1.72 -0.20 1.61 1.02 -1.26 -2.39 120.64 119.53 3ie0 n GLU 402 Ca 0.00 0.62 -0.01 0.00 -0.02 0.00 0.00 57.16 57.76 3ie0 n GLU 402 Cb 0.00 -2.46 0.10 0.00 -0.02 0.00 0.00 31.44 29.06 3ie0 n GLU 402 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3ie0 h GLU 403 N 1.61 0.45 -0.67 3.49 4.81 -1.92 -0.86 114.58 121.48 3ie0 h GLU 403 Ca -0.49 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.65 3ie0 h GLU 403 Cb 1.31 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 3ie0 h GLU 403 CO 0.58 0.30 0.19 0.93 -0.73 0.00 0.00 179.01 180.27 3ie0 h GLU 404 N 0.46 1.04 0.71 1.92 5.08 -1.92 -1.44 114.58 120.44 3ie0 h GLU 404 Ca 0.30 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3ie0 h GLU 404 Cb 0.33 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.43 3ie0 h GLU 404 CO -0.27 0.90 -0.34 0.87 -1.00 0.00 0.00 179.01 179.17 3ie0 h LYS 405 N 1.00 -0.93 -0.54 2.33 1.79 -1.64 -0.59 116.57 117.99 3ie0 h LYS 405 Ca 0.22 0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.85 3ie0 h LYS 405 Cb 0.31 0.21 -0.08 0.00 -1.58 0.00 0.00 32.23 31.09 3ie0 h LYS 405 CO -0.00 -0.62 0.10 -0.07 -1.08 0.00 0.00 179.45 177.77 3ie0 h LEU 406 N -0.96 -0.03 -0.88 2.94 4.07 -1.11 -0.62 115.31 118.73 3ie0 h LEU 406 Ca -0.10 0.10 0.09 0.00 0.08 0.00 0.00 57.88 58.05 3ie0 h LEU 406 Cb 0.74 0.15 -0.07 0.00 1.08 0.00 0.00 40.66 42.55 3ie0 h LEU 406 CO 0.16 0.01 0.53 -0.07 -1.08 0.00 0.00 178.44 177.99 3ie0 h LEU 407 N 0.23 0.79 -0.65 1.67 -0.00 -1.06 0.91 115.31 117.20 3ie0 h LEU 407 Ca 0.27 0.04 0.08 0.00 -0.00 0.00 0.00 57.88 58.27 3ie0 h LEU 407 Cb 0.39 -0.12 -0.06 0.00 -0.00 0.00 0.00 40.66 40.86 3ie0 h LEU 407 CO -0.37 0.47 0.31 0.00 -0.00 0.00 0.00 178.44 178.86 3ie0 h ALA 408 N 1.45 0.87 0.12 1.53 0.00 0.49 0.42 119.26 124.14 3ie0 h ALA 408 Ca 0.41 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 3ie0 h ALA 408 Cb 0.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ie0 h ALA 408 CO -0.22 -0.07 -0.06 1.25 0.00 0.00 0.00 179.25 180.15 3ie0 h LEU 409 N 0.56 -0.14 -1.11 0.00 6.46 -0.78 -3.24 115.31 117.06 3ie0 h LEU 409 Ca 0.31 -0.42 0.34 0.00 -0.12 0.00 0.00 57.88 57.99 3ie0 h LEU 409 Cb 0.30 0.04 -0.14 0.00 -0.73 0.00 0.00 40.66 40.13 3ie0 h LEU 409 CO -0.25 0.45 0.63 1.23 -0.62 0.00 0.00 178.44 179.88 3ie0 h GLY 410 N -0.83 1.85 0.91 3.75 0.00 0.13 0.15 103.07 109.03 3ie0 h GLY 410 Ca -0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3ie0 h GLY 410 CO 0.03 -0.44 -0.12 1.70 0.00 0.00 0.00 176.54 177.71 3ie0 h LYS 411 N 0.29 -0.32 -0.46 4.80 3.64 -0.22 -2.32 116.57 121.99 3ie0 h LYS 411 Ca 0.73 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 60.15 3ie0 h LYS 411 Cb 1.81 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.68 3ie0 h LYS 411 CO -0.54 -0.14 0.29 -0.07 -2.27 0.00 0.00 179.45 176.71 3ie0 h LEU 412 N -0.42 0.49 -0.74 5.20 3.38 -0.83 -2.50 115.31 119.89 3ie0 h LEU 412 Ca -0.03 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.03 3ie0 h LEU 412 Cb 0.32 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 3ie0 h LEU 412 CO 0.05 0.35 0.37 -0.07 0.09 0.00 0.00 178.44 179.23 3ie0 h LEU 413 N 0.59 0.47 -1.26 1.67 3.38 -1.00 -1.43 115.31 117.72 3ie0 h LEU 413 Ca 0.18 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3ie0 h LEU 413 Cb -0.03 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3ie0 h LEU 413 CO -0.06 0.25 0.32 0.00 0.09 0.00 0.00 178.44 179.05 3ie0 h ALA 414 N 1.45 1.43 0.00 1.53 0.00 -0.99 -1.91 119.26 120.77 3ie0 h ALA 414 Ca 0.37 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3ie0 h ALA 414 Cb 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3ie0 h ALA 414 CO -0.29 0.46 0.00 1.37 0.00 0.00 0.00 179.25 180.80 3ie0 h LEU 415 N 0.84 0.00 -0.48 0.00 -0.00 -0.93 -2.55 115.31 112.19 3ie0 h LEU 415 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 3ie0 h LEU 415 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 3ie0 h LEU 415 CO -0.03 0.00 0.00 -1.14 -0.00 0.00 0.00 178.44 177.27 3ie0 n ARG 416 N -2.87 1.32 0.00 0.17 0.63 -0.75 -4.87 116.66 110.28 3ie0 n ARG 416 Ca 0.03 -0.48 0.00 0.00 -0.92 0.00 0.00 57.85 56.48 3ie0 n ARG 416 Cb 0.39 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.88 3ie0 n ARG 416 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ie0 n GLY 417 N 1.02 1.90 3.76 5.14 0.00 -0.96 -5.05 105.19 111.01 3ie0 n GLY 417 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3ie0 n GLY 417 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ie0 s GLN 418 N -0.94 4.61 -0.74 1.61 -0.21 -1.00 -4.99 119.66 118.01 3ie0 s GLN 418 Ca 0.00 1.72 -0.25 0.00 0.02 0.00 0.00 55.36 56.85 3ie0 s GLN 418 Cb 0.00 -3.12 0.05 0.00 1.00 0.00 0.00 33.01 30.94 3ie0 s GLN 418 CO 0.00 0.22 1.18 -2.00 -2.12 0.00 0.00 175.29 172.56 3ie0 s GLU 419 N -1.54 3.20 0.64 2.91 2.12 0.98 -3.51 118.70 123.49 3ie0 s GLU 419 Ca 0.46 -0.55 -0.03 0.00 0.36 0.00 0.00 54.97 55.20 3ie0 s GLU 419 Cb -0.30 -4.29 0.05 0.00 0.26 0.00 0.00 34.13 29.85 3ie0 s GLU 419 CO 0.38 -2.03 0.92 0.54 -0.54 0.00 0.00 175.26 174.53 3ie0 s VAL 420 N 5.01 2.46 -0.02 3.70 0.11 -1.26 -1.44 120.40 128.96 3ie0 s VAL 420 Ca 0.31 -0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 58.63 3ie0 s VAL 420 Cb -0.11 -3.01 0.11 0.00 -1.53 0.00 0.00 36.38 31.85 3ie0 s VAL 420 CO 0.11 -0.01 1.18 -0.55 -3.33 0.00 0.00 175.10 172.50 3ie0 s SER 421 N -4.48 -0.12 -0.12 3.54 0.15 -0.81 -4.88 113.70 106.98 3ie0 s SER 421 Ca 0.59 -0.14 0.03 0.00 0.70 0.00 0.00 55.95 57.13 3ie0 s SER 421 Cb -0.11 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.44 3ie0 s SER 421 CO 0.42 -0.41 -0.23 -0.76 1.20 0.00 0.00 173.24 173.46 3ie0 s LEU 422 N -2.76 2.10 0.28 3.45 1.02 -1.26 -1.80 118.68 119.70 3ie0 s LEU 422 Ca 0.12 -0.58 -0.30 0.00 0.02 0.00 0.00 54.13 53.38 3ie0 s LEU 422 Cb 0.02 -1.43 -0.12 0.00 0.02 0.00 0.00 46.19 44.68 3ie0 s LEU 422 CO -0.03 0.12 1.56 0.00 0.02 0.00 0.00 176.35 178.02 3ie0 n ALA 423 N 3.83 2.27 -3.72 4.21 0.00 -0.62 -4.90 120.51 121.57 3ie0 n ALA 423 Ca -0.20 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.28 3ie0 n ALA 423 Cb 0.52 -2.43 -0.15 0.00 0.00 0.00 0.00 19.45 17.40 3ie0 n ALA 423 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3ie0 s ARG 424 N -0.41 3.19 -0.13 0.00 3.52 -1.26 -3.97 118.95 119.89 3ie0 s ARG 424 Ca 0.65 -0.73 -0.40 0.00 -0.13 0.00 0.00 55.73 55.12 3ie0 s ARG 424 Cb -0.53 -2.87 -0.18 0.00 -1.56 0.00 0.00 34.95 29.81 3ie0 s ARG 424 CO 0.48 -0.23 1.38 0.34 -0.81 0.00 0.00 175.30 176.47 3ie0 n PHE 425 N 4.73 1.39 0.00 5.12 7.35 -1.26 -0.59 117.46 134.20 3ie0 n PHE 425 Ca -0.19 0.85 0.00 0.00 -0.76 0.00 0.00 57.45 57.35 3ie0 n PHE 425 Cb 0.50 -2.26 0.00 0.00 0.35 0.00 0.00 39.48 38.07 3ie0 n PHE 425 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ie0 n GLY 426 N 2.81 2.71 3.53 7.13 0.00 0.65 -4.96 105.19 117.06 3ie0 n GLY 426 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3ie0 n GLY 426 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ie0 s GLU 427 N -0.04 3.37 0.75 1.61 2.12 0.24 -4.84 118.70 121.91 3ie0 s GLU 427 Ca 0.00 -0.19 -0.13 0.00 0.36 0.00 0.00 54.97 55.01 3ie0 s GLU 427 Cb 0.00 -4.02 0.05 0.00 0.26 0.00 0.00 34.13 30.42 3ie0 s GLU 427 CO 0.00 -1.39 1.15 0.20 -0.54 0.00 0.00 175.26 174.68 3ie0 s GLY 428 N 2.66 2.08 -0.14 -1.50 0.00 -1.26 -4.43 107.32 104.73 3ie0 s GLY 428 Ca 0.31 0.64 0.01 0.00 0.00 0.00 0.00 44.72 45.68 3ie0 s GLY 428 CO 0.21 1.02 -0.14 0.14 0.00 0.00 0.00 173.10 174.33 3ie0 s VAL 429 N -2.34 1.53 0.43 1.40 1.01 -0.09 -4.95 120.40 117.39 3ie0 s VAL 429 Ca 0.69 -0.62 -0.24 0.00 0.00 0.00 0.00 61.98 61.81 3ie0 s VAL 429 Cb -0.24 -1.43 -0.08 0.00 0.00 0.00 0.00 36.38 34.64 3ie0 s VAL 429 CO 0.48 0.45 1.16 -2.16 0.00 0.00 0.00 175.10 175.03 3ie0 s PRO 430 N 1.35 3.92 0.00 2.72 0.04 -1.26 -1.14 135.00 140.63 3ie0 s PRO 430 Ca 0.02 1.78 0.28 0.00 0.04 0.00 0.00 61.00 63.11 3ie0 s PRO 430 Cb -0.13 -2.53 1.04 0.00 0.04 0.00 0.00 34.50 32.92 3ie0 s PRO 430 CO -0.08 -0.42 1.74 0.28 0.04 0.00 0.00 177.00 178.56