#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ie2 s ARG 2 N 0.00 1.00 -0.08 2.12 1.70 -0.75 -0.49 118.95 122.44 3ie2 s ARG 2 Ca 0.00 0.29 0.01 0.00 -0.47 0.00 0.00 55.73 55.57 3ie2 s ARG 2 Cb 0.00 0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 34.83 3ie2 s ARG 2 CO 0.00 -0.29 -0.11 -1.50 -1.08 0.00 0.00 175.30 172.32 3ie2 s ILE 3 N -1.04 3.33 -0.26 4.99 1.10 -0.67 -1.22 121.20 127.42 3ie2 s ILE 3 Ca -0.10 -0.61 0.02 0.00 -0.51 0.00 0.00 60.65 59.46 3ie2 s ILE 3 Cb -0.01 -2.35 0.06 0.00 0.15 0.00 0.00 42.46 40.30 3ie2 s ILE 3 CO 0.09 0.57 -0.10 -0.69 -2.11 0.00 0.00 174.94 172.69 3ie2 s VAL 4 N -0.46 2.24 0.37 4.00 1.01 0.17 -1.31 120.40 126.43 3ie2 s VAL 4 Ca 0.06 -1.57 -0.28 0.00 0.00 0.00 0.00 61.98 60.19 3ie2 s VAL 4 Cb -0.12 -2.30 -0.11 0.00 0.00 0.00 0.00 36.38 33.85 3ie2 s VAL 4 CO 0.02 -0.00 1.48 -2.84 0.00 0.00 0.00 175.10 173.76 3ie2 s PRO 5 N 1.13 4.11 -0.30 2.72 0.02 -1.26 -0.72 135.00 140.69 3ie2 s PRO 5 Ca -0.08 2.56 0.19 0.00 0.02 0.00 0.00 61.00 63.69 3ie2 s PRO 5 Cb -0.20 -2.97 0.47 0.00 0.02 0.00 0.00 34.50 31.82 3ie2 s PRO 5 CO -0.05 -0.53 1.22 1.19 -0.33 0.00 0.00 177.00 178.50 3ie2 n PHE 6 N 0.49 0.09 0.00 6.54 3.72 0.54 -1.92 117.46 126.93 3ie2 n PHE 6 Ca 0.01 -2.11 0.00 0.00 -0.05 0.00 0.00 57.45 55.30 3ie2 n PHE 6 Cb 0.39 0.35 0.00 0.00 -0.94 0.00 0.00 39.48 39.29 3ie2 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ie2 n GLY 7 N -0.77 3.22 3.83 1.37 0.00 -1.24 -4.42 105.19 107.18 3ie2 n GLY 7 Ca 0.00 -1.19 -0.26 0.00 0.00 0.00 0.00 46.02 44.57 3ie2 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie2 n ALA 8 N -1.37 -1.68 -3.98 4.61 0.00 -0.86 -4.45 120.51 112.77 3ie2 n ALA 8 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 3ie2 n ALA 8 Cb 0.00 -3.05 -0.15 0.00 0.00 0.00 0.00 19.45 16.25 3ie2 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ie2 s ALA 9 N -3.53 2.59 -1.96 0.00 0.00 -1.26 -0.79 121.76 116.80 3ie2 s ALA 9 Ca 0.31 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.60 3ie2 s ALA 9 Cb -0.15 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 21.37 3ie2 s ALA 9 CO 0.83 -1.06 0.00 0.54 0.00 0.00 0.00 175.76 176.07 3ie2 n ARG 10 N 4.51 -1.32 -4.04 0.00 3.00 -1.26 -4.89 116.66 112.67 3ie2 n ARG 10 Ca -0.15 1.14 -0.13 0.00 -0.01 0.00 0.00 57.85 58.71 3ie2 n ARG 10 Cb 0.44 -5.45 -0.04 0.00 0.00 0.00 0.00 32.46 27.41 3ie2 n ARG 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 3ie2 s GLU 11 N -3.68 1.85 -0.13 5.56 -1.05 -0.06 -4.10 118.70 117.09 3ie2 s GLU 11 Ca 0.00 -1.61 0.11 0.00 -0.15 0.00 0.00 54.97 53.33 3ie2 s GLU 11 Cb 0.00 0.47 -0.16 0.00 -0.44 0.00 0.00 34.13 34.00 3ie2 s GLU 11 CO 0.00 -0.78 0.04 1.33 0.95 0.00 0.00 175.26 176.80 3ie2 n VAL 12 N -0.51 0.91 -2.88 1.83 0.24 -1.26 0.42 118.33 117.08 3ie2 n VAL 12 Ca -0.01 -0.55 -0.22 0.00 -2.04 0.00 0.00 64.34 61.52 3ie2 n VAL 12 Cb 0.62 -0.67 0.02 0.00 -1.47 0.00 0.00 33.84 32.33 3ie2 n VAL 12 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ie2 s THR 13 N -2.32 3.55 0.00 3.34 -4.23 -1.26 -4.62 115.64 110.09 3ie2 s THR 13 Ca -0.07 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 3ie2 s THR 13 Cb 0.04 -3.31 0.00 0.00 1.34 0.00 0.00 72.50 70.57 3ie2 s THR 13 CO 0.53 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 3ie2 n GLY 14 N -2.15 0.72 2.81 3.99 0.00 -0.98 -2.04 105.19 107.54 3ie2 n GLY 14 Ca 0.04 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.56 3ie2 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ie2 n SER 15 N 0.00 0.58 -3.17 1.61 7.64 -1.09 -4.07 113.62 115.11 3ie2 n SER 15 Ca 0.00 0.91 0.05 0.00 1.01 0.00 0.00 58.87 60.84 3ie2 n SER 15 Cb 0.00 -0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 62.48 3ie2 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ie2 s ALA 16 N 1.44 -3.58 -0.11 -0.43 0.00 -1.26 0.12 121.76 117.95 3ie2 s ALA 16 Ca 0.77 1.52 -0.01 0.00 0.00 0.00 0.00 51.96 54.23 3ie2 s ALA 16 Cb -1.09 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3ie2 s ALA 16 CO 0.56 -1.27 -0.01 -1.01 0.00 0.00 0.00 175.76 174.03 3ie2 s HIS 17 N 2.59 0.94 -0.14 0.00 0.09 -0.04 -0.34 115.29 118.40 3ie2 s HIS 17 Ca -0.05 -0.45 -0.29 0.00 -0.00 0.00 0.00 55.06 54.27 3ie2 s HIS 17 Cb -0.05 -0.95 -0.02 0.00 -0.00 0.00 0.00 32.58 31.56 3ie2 s HIS 17 CO -0.11 -0.43 1.19 -1.17 -0.00 0.00 0.00 174.74 174.22 3ie2 s LEU 18 N 1.88 4.20 -0.31 0.89 2.96 0.10 -0.99 118.68 127.42 3ie2 s LEU 18 Ca 0.04 1.66 -0.13 0.00 -0.22 0.00 0.00 54.13 55.48 3ie2 s LEU 18 Cb -0.13 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 3ie2 s LEU 18 CO -0.06 -0.67 0.27 -0.22 -1.32 0.00 0.00 176.35 174.34 3ie2 s LEU 19 N 2.97 4.23 -0.31 -0.68 2.96 0.34 0.44 118.68 128.63 3ie2 s LEU 19 Ca 0.53 -0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 54.28 3ie2 s LEU 19 Cb -0.21 -2.22 0.04 0.00 0.50 0.00 0.00 46.19 44.30 3ie2 s LEU 19 CO 0.16 -0.18 0.05 -0.76 -1.32 0.00 0.00 176.35 174.30 3ie2 s LEU 20 N 1.85 4.02 -0.26 -0.68 1.43 -0.36 -0.70 118.68 123.99 3ie2 s LEU 20 Ca 0.09 -1.12 -0.25 0.00 -1.03 0.00 0.00 54.13 51.82 3ie2 s LEU 20 Cb -0.16 -1.80 0.10 0.00 0.03 0.00 0.00 46.19 44.36 3ie2 s LEU 20 CO 0.11 -0.27 0.90 0.00 0.23 0.00 0.00 176.35 177.31 3ie2 s ALA 21 N 1.35 -1.89 -1.31 4.21 0.00 -0.88 -1.82 121.76 121.42 3ie2 s ALA 21 Ca -0.02 1.91 -0.05 0.00 0.00 0.00 0.00 51.96 53.80 3ie2 s ALA 21 Cb -0.19 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.68 3ie2 s ALA 21 CO 0.01 -0.28 1.02 0.41 0.00 0.00 0.00 175.76 176.92 3ie2 n GLY 22 N 2.30 -0.43 4.49 0.00 0.00 -1.26 -1.56 105.19 108.72 3ie2 n GLY 22 Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3ie2 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie2 n GLY 23 N -1.58 0.06 3.95 -0.02 0.00 -1.26 -4.63 105.19 101.70 3ie2 n GLY 23 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 3ie2 n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie2 s ARG 24 N -0.45 3.48 -0.28 1.61 1.81 -0.60 -5.08 118.95 119.43 3ie2 s ARG 24 Ca 0.00 -0.51 -0.01 0.00 -1.72 0.00 0.00 55.73 53.49 3ie2 s ARG 24 Cb 0.00 -2.83 0.09 0.00 -0.45 0.00 0.00 34.95 31.76 3ie2 s ARG 24 CO 0.00 0.36 0.09 1.03 -0.68 0.00 0.00 175.30 176.10 3ie2 s ARG 25 N -3.77 0.67 -0.17 3.54 0.52 -1.26 -2.08 118.95 116.40 3ie2 s ARG 25 Ca 0.37 -0.89 -0.08 0.00 -0.52 0.00 0.00 55.73 54.61 3ie2 s ARG 25 Cb -0.10 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.40 3ie2 s ARG 25 CO 0.31 -0.92 0.11 0.08 0.02 0.00 0.00 175.30 174.90 3ie2 s VAL 26 N 1.71 5.28 -0.27 3.52 1.01 0.12 -1.24 120.40 130.54 3ie2 s VAL 26 Ca 0.07 0.14 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 3ie2 s VAL 26 Cb -0.17 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 3ie2 s VAL 26 CO -0.23 0.49 0.32 -0.22 0.00 0.00 0.00 175.10 175.46 3ie2 s LEU 27 N -0.03 4.04 -0.49 3.92 0.20 -0.28 0.13 118.68 126.17 3ie2 s LEU 27 Ca 0.09 0.21 -0.16 0.00 0.69 0.00 0.00 54.13 54.96 3ie2 s LEU 27 Cb -0.11 -2.34 0.08 0.00 -0.43 0.00 0.00 46.19 43.39 3ie2 s LEU 27 CO 0.00 -0.14 0.46 -0.76 -0.29 0.00 0.00 176.35 175.62 3ie2 s LEU 28 N 1.95 5.58 0.33 -0.68 1.02 -0.16 -0.74 118.68 125.98 3ie2 s LEU 28 Ca 0.13 -1.32 0.00 0.00 0.02 0.00 0.00 54.13 52.96 3ie2 s LEU 28 Cb -0.16 -2.24 0.00 0.00 0.02 0.00 0.00 46.19 43.81 3ie2 s LEU 28 CO 0.10 -0.74 0.00 0.47 0.02 0.00 0.00 176.35 176.20 3ie2 n ASP 29 N 5.43 -4.46 -2.73 2.29 8.00 -0.27 -0.86 116.55 123.95 3ie2 n ASP 29 Ca -0.11 0.76 -0.06 0.00 0.71 0.00 0.00 54.79 56.08 3ie2 n ASP 29 Cb 0.43 -2.72 0.05 0.00 -0.02 0.00 0.00 41.12 38.86 3ie2 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ie2 s GLY 31 N -0.86 1.42 0.49 0.00 0.00 0.33 -0.36 107.32 108.35 3ie2 s GLY 31 Ca 0.30 -1.19 -0.18 0.00 0.00 0.00 0.00 44.72 43.64 3ie2 s GLY 31 CO -0.18 -1.21 0.98 -3.16 0.00 0.00 0.00 173.10 169.53 3ie2 s MET 32 N -3.67 3.99 0.26 2.90 0.23 -0.91 -4.16 119.30 117.93 3ie2 s MET 32 Ca 0.34 1.07 -0.24 0.00 -1.03 0.00 0.00 55.69 55.83 3ie2 s MET 32 Cb -0.10 -2.14 -0.09 0.00 -1.53 0.00 0.00 34.83 30.98 3ie2 s MET 32 CO 0.28 -0.24 0.84 -0.06 -2.03 0.00 0.00 175.02 173.81 3ie2 s PHE 33 N -2.40 3.73 0.23 3.16 0.08 -1.26 -2.32 117.98 119.21 3ie2 s PHE 33 Ca 0.61 1.64 0.02 0.00 0.12 0.00 0.00 56.93 59.31 3ie2 s PHE 33 Cb -0.11 -2.80 -0.05 0.00 -0.57 0.00 0.00 43.02 39.49 3ie2 s PHE 33 CO 0.24 0.32 0.06 -0.65 -0.10 0.00 0.00 175.22 175.08 3ie2 s GLN 34 N -1.83 1.33 3.76 0.44 -0.21 -1.26 -4.26 119.66 117.63 3ie2 s GLN 34 Ca 0.45 -1.70 0.00 0.00 0.02 0.00 0.00 55.36 54.13 3ie2 s GLN 34 Cb -0.19 -0.34 0.00 0.00 1.00 0.00 0.00 33.01 33.48 3ie2 s GLN 34 CO 0.24 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.60 3ie2 n GLY 35 N -0.41 0.23 0.31 3.09 0.00 -1.26 -3.51 105.19 103.65 3ie2 n GLY 35 Ca -0.02 -0.96 0.13 0.00 0.00 0.00 0.00 46.02 45.16 3ie2 n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie2 h LYS 36 N 0.00 0.00 -0.00 1.61 1.79 -2.05 -2.29 116.57 115.62 3ie2 h LYS 36 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ie2 h LYS 36 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3ie2 h LYS 36 CO 0.00 0.00 -0.01 0.39 -1.08 0.00 0.00 179.45 178.75 3ie2 n GLU 37 N -4.39 1.10 -0.46 3.15 -0.58 -1.23 -4.47 120.64 113.77 3ie2 n GLU 37 Ca 0.01 -0.28 0.42 0.00 -0.42 0.00 0.00 57.16 56.90 3ie2 n GLU 37 Cb 0.27 -1.49 0.73 0.00 -0.57 0.00 0.00 31.44 30.38 3ie2 n GLU 37 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3ie2 h GLU 38 N 0.67 0.00 0.00 3.49 4.81 -1.56 0.32 114.58 122.31 3ie2 h GLU 38 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3ie2 h GLU 38 Cb 0.19 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3ie2 h GLU 38 CO 0.00 0.00 -0.30 0.00 -0.73 0.00 0.00 179.01 177.98 3ie2 h ALA 39 N 1.05 1.01 0.00 2.92 0.00 -1.86 -2.91 119.26 119.46 3ie2 h ALA 39 Ca 0.71 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3ie2 h ALA 39 Cb 3.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.80 3ie2 h ALA 39 CO -0.01 0.38 0.02 0.00 0.00 0.00 0.00 179.25 179.64 3ie2 h ARG 40 N 0.00 0.00 0.00 0.00 2.47 -1.29 0.33 114.38 115.89 3ie2 h ARG 40 Ca -0.00 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 3ie2 h ARG 40 Cb 0.82 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.14 3ie2 h ARG 40 CO 0.04 0.00 -0.10 -0.91 0.56 0.00 0.00 179.97 179.56 3ie2 h ASN 41 N 0.00 0.00 1.11 7.04 -0.26 -1.70 -0.93 115.58 120.83 3ie2 h ASN 41 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3ie2 h ASN 41 Cb 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 3ie2 h ASN 41 CO 0.00 0.10 -0.62 0.45 -1.06 0.00 0.00 177.43 176.30 3ie2 h HIS 42 N 0.00 0.00 -3.88 1.19 3.86 -1.16 -3.47 115.15 111.69 3ie2 h HIS 42 Ca -0.00 0.00 -0.44 0.00 -1.16 0.00 0.00 60.37 58.77 3ie2 h HIS 42 Cb 0.34 0.00 0.17 0.00 1.06 0.00 0.00 27.41 28.97 3ie2 h HIS 42 CO 0.00 0.00 0.29 0.00 0.86 0.00 0.00 177.93 179.08 3ie2 s ALA 43 N -3.23 1.52 0.36 2.45 0.00 -0.36 -5.03 121.76 117.47 3ie2 s ALA 43 Ca 0.04 -0.95 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 3ie2 s ALA 43 Cb 0.11 -2.88 -0.10 0.00 0.00 0.00 0.00 23.12 20.25 3ie2 s ALA 43 CO 0.73 -2.83 0.84 -1.25 0.00 0.00 0.00 175.76 173.24 3ie2 s PRO 44 N -5.57 4.14 0.41 0.00 0.04 -1.26 -4.97 135.00 127.79 3ie2 s PRO 44 Ca 0.70 0.90 0.14 0.00 0.04 0.00 0.00 61.00 62.78 3ie2 s PRO 44 Cb -0.09 -2.36 0.99 0.00 0.04 0.00 0.00 34.50 33.09 3ie2 s PRO 44 CO 0.54 0.09 1.93 0.74 0.04 0.00 0.00 177.00 180.34 3ie2 h PHE 45 N 2.19 0.54 0.00 0.56 0.04 -1.96 -3.45 116.94 114.86 3ie2 h PHE 45 Ca -0.48 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.30 3ie2 h PHE 45 Cb 1.18 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 39.16 3ie2 h PHE 45 CO 0.62 0.22 0.00 0.41 -0.60 0.00 0.00 178.31 178.96 3ie2 n GLY 46 N -1.50 0.77 3.41 -1.45 0.00 -1.26 -4.96 105.19 100.18 3ie2 n GLY 46 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 3ie2 n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ie2 s PHE 47 N -2.05 -0.47 -0.45 1.61 -0.71 -1.26 -5.06 117.98 109.58 3ie2 s PHE 47 Ca 0.00 0.33 -0.28 0.00 -1.04 0.00 0.00 56.93 55.94 3ie2 s PHE 47 Cb 0.00 0.47 0.03 0.00 -1.21 0.00 0.00 43.02 42.30 3ie2 s PHE 47 CO 0.00 -0.78 1.05 0.34 -1.34 0.00 0.00 175.22 174.49 3ie2 s ASP 48 N -2.55 6.62 0.32 1.98 2.15 -1.26 -4.90 116.67 119.04 3ie2 s ASP 48 Ca -0.00 0.43 0.04 0.00 0.43 0.00 0.00 52.55 53.45 3ie2 s ASP 48 Cb -0.00 -2.51 0.65 0.00 -0.30 0.00 0.00 42.92 40.76 3ie2 s ASP 48 CO -0.10 -1.12 1.88 1.55 -0.17 0.00 0.00 175.17 177.21 3ie2 h PRO 49 N 9.00 0.85 -0.13 4.34 0.13 -1.92 -1.29 132.00 142.99 3ie2 h PRO 49 Ca -0.23 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 64.89 3ie2 h PRO 49 Cb 1.07 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 3ie2 h PRO 49 CO 1.07 0.57 0.19 0.87 -0.23 0.00 0.00 178.00 180.47 3ie2 h LYS 50 N 0.88 0.00 -0.85 0.86 1.57 -1.90 -1.98 116.57 115.16 3ie2 h LYS 50 Ca 0.43 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 59.00 3ie2 h LYS 50 Cb 0.46 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.64 3ie2 h LYS 50 CO -0.19 0.00 0.27 0.39 -0.57 0.00 0.00 179.45 179.35 3ie2 n GLU 51 N -3.58 2.96 -3.73 3.15 -0.58 -0.49 -4.86 120.64 113.51 3ie2 n GLU 51 Ca 0.00 -2.40 -0.35 0.00 -0.42 0.00 0.00 57.16 53.99 3ie2 n GLU 51 Cb 0.30 -2.01 -0.08 0.00 -0.57 0.00 0.00 31.44 29.08 3ie2 n GLU 51 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ie2 s VAL 52 N -2.48 5.35 -0.08 2.62 1.01 -0.74 -4.72 120.40 121.36 3ie2 s VAL 52 Ca 0.44 0.17 0.13 0.00 0.00 0.00 0.00 61.98 62.72 3ie2 s VAL 52 Cb 0.35 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 3ie2 s VAL 52 CO 0.10 0.42 1.29 0.44 0.00 0.00 0.00 175.10 177.35 3ie2 h ASP 53 N 6.89 0.00 -3.87 3.32 3.32 -1.52 -3.43 116.42 121.13 3ie2 h ASP 53 Ca -0.40 0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.82 3ie2 h ASP 53 Cb 1.16 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.48 3ie2 h ASP 53 CO 0.73 0.64 0.73 0.00 -1.72 0.00 0.00 179.24 179.62 3ie2 s ALA 54 N -2.89 -2.01 -0.06 3.45 0.00 -1.23 -4.43 121.76 114.59 3ie2 s ALA 54 Ca 0.02 1.64 0.03 0.00 0.00 0.00 0.00 51.96 53.65 3ie2 s ALA 54 Cb 0.08 -0.75 0.01 0.00 0.00 0.00 0.00 23.12 22.46 3ie2 s ALA 54 CO 0.77 -0.38 -0.14 0.54 0.00 0.00 0.00 175.76 176.56 3ie2 s VAL 55 N -1.51 1.25 0.07 0.00 0.11 -0.63 -1.12 120.40 118.57 3ie2 s VAL 55 Ca 0.04 -0.57 0.02 0.00 -2.93 0.00 0.00 61.98 58.54 3ie2 s VAL 55 Cb -0.01 -1.12 -0.04 0.00 -1.53 0.00 0.00 36.38 33.69 3ie2 s VAL 55 CO -0.03 0.38 0.10 -0.76 -3.33 0.00 0.00 175.10 171.45 3ie2 s LEU 56 N 0.44 3.90 -0.11 2.54 1.02 0.08 -0.40 118.68 126.15 3ie2 s LEU 56 Ca -0.11 0.06 0.02 0.00 0.02 0.00 0.00 54.13 54.11 3ie2 s LEU 56 Cb -0.14 -2.53 0.01 0.00 0.02 0.00 0.00 46.19 43.55 3ie2 s LEU 56 CO 0.03 0.18 -0.15 -0.76 0.02 0.00 0.00 176.35 175.68 3ie2 s LEU 57 N -2.32 1.71 0.05 1.79 1.02 0.23 -1.11 118.68 120.06 3ie2 s LEU 57 Ca 0.29 -0.43 -0.16 0.00 0.02 0.00 0.00 54.13 53.86 3ie2 s LEU 57 Cb -0.12 -1.08 -0.22 0.00 0.02 0.00 0.00 46.19 44.79 3ie2 s LEU 57 CO 0.22 0.01 1.18 0.71 0.02 0.00 0.00 176.35 178.49 3ie2 h THR 58 N 5.96 1.33 -2.82 5.49 1.35 -1.88 -3.42 112.91 118.93 3ie2 h THR 58 Ca -0.31 -2.11 0.09 0.00 -0.55 0.00 0.00 66.41 63.52 3ie2 h THR 58 Cb 1.17 2.37 -0.07 0.00 -1.73 0.00 0.00 68.15 69.89 3ie2 h THR 58 CO 0.49 0.64 0.30 -1.38 -0.25 0.00 0.00 175.52 175.32 3ie2 s HIS 59 N -3.38 -0.22 -1.57 4.73 -3.43 -1.26 -1.36 115.29 108.78 3ie2 s HIS 59 Ca -0.11 -0.16 0.29 0.00 -0.80 0.00 0.00 55.06 54.28 3ie2 s HIS 59 Cb 0.06 0.67 1.55 0.00 -1.43 0.00 0.00 32.58 33.43 3ie2 s HIS 59 CO 0.88 -1.07 2.04 0.00 -2.00 0.00 0.00 174.74 174.59 3ie2 n ALA 60 N -0.45 2.48 -1.67 -1.38 0.00 -1.26 -4.58 120.51 113.65 3ie2 n ALA 60 Ca -0.06 -0.15 -0.39 0.00 0.00 0.00 0.00 53.44 52.84 3ie2 n ALA 60 Cb 0.60 -1.48 0.04 0.00 0.00 0.00 0.00 19.45 18.62 3ie2 n ALA 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ie2 n HIS 61 N -1.21 1.54 -0.34 0.00 8.25 -1.26 -4.77 115.22 117.43 3ie2 n HIS 61 Ca 0.16 0.45 0.06 0.00 -0.26 0.00 0.00 57.72 58.13 3ie2 n HIS 61 Cb 0.20 -2.25 0.24 0.00 1.12 0.00 0.00 29.99 29.30 3ie2 n HIS 61 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3ie2 h LEU 62 N 1.01 0.92 0.00 2.41 5.85 -1.95 -2.00 115.31 121.55 3ie2 h LEU 62 Ca -0.49 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.26 3ie2 h LEU 62 Cb 1.33 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3ie2 h LEU 62 CO 0.54 0.53 0.00 -0.90 -0.34 0.00 0.00 178.44 178.27 3ie2 n ASP 63 N -4.56 0.00 0.00 1.25 5.75 -1.26 -0.19 116.55 117.54 3ie2 n ASP 63 Ca 0.17 -0.60 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 3ie2 n ASP 63 Cb 0.30 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 3ie2 n ASP 63 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3ie2 n HIS 64 N -0.63 0.00 0.00 2.11 8.25 -0.78 -2.69 115.22 121.48 3ie2 n HIS 64 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 3ie2 n HIS 64 Cb 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3ie2 n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ie2 n VAL 65 N -0.01 0.00 0.11 1.59 0.31 -1.03 -1.20 118.33 118.09 3ie2 n VAL 65 Ca 0.00 -0.03 0.20 0.00 -0.01 0.00 0.00 64.34 64.50 3ie2 n VAL 65 Cb 0.12 0.35 0.74 0.00 -0.91 0.00 0.00 33.84 34.14 3ie2 n VAL 65 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3ie2 h GLY 66 N 0.00 0.00 -2.49 2.92 0.00 -0.49 -1.97 103.07 101.05 3ie2 h GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ie2 h GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 3ie2 n ARG 67 N -3.64 3.16 -0.03 4.80 1.74 0.52 -4.39 116.66 118.83 3ie2 n ARG 67 Ca 0.07 -2.64 -0.13 0.00 -0.77 0.00 0.00 57.85 54.38 3ie2 n ARG 67 Cb 0.61 -1.65 -0.08 0.00 -1.02 0.00 0.00 32.46 30.32 3ie2 n ARG 67 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3ie2 h LEU 68 N 3.61 0.14 -2.16 0.55 5.85 -1.14 -1.90 115.31 120.27 3ie2 h LEU 68 Ca 0.00 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.38 3ie2 h LEU 68 Cb 1.15 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 3ie2 h LEU 68 CO 0.10 0.51 0.18 1.55 -0.34 0.00 0.00 178.44 180.44 3ie2 h PRO 69 N -0.22 0.00 0.00 5.25 0.13 -1.78 0.40 132.00 135.78 3ie2 h PRO 69 Ca 0.02 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 3ie2 h PRO 69 Cb 0.45 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 3ie2 h PRO 69 CO 0.01 0.00 -0.42 -0.22 -0.23 0.00 0.00 178.00 177.14 3ie2 h LYS 70 N 0.00 0.00 -0.50 0.86 3.64 -1.74 -1.63 116.57 117.19 3ie2 h LYS 70 Ca 0.10 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 3ie2 h LYS 70 Cb 0.46 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.27 3ie2 h LYS 70 CO -0.00 0.42 -0.17 1.25 -2.27 0.00 0.00 179.45 178.68 3ie2 h LEU 71 N 0.00 1.02 -0.07 5.20 5.85 0.58 -2.79 115.31 125.10 3ie2 h LEU 71 Ca -0.00 -0.38 -0.25 0.00 0.84 0.00 0.00 57.88 58.09 3ie2 h LEU 71 Cb 1.15 -0.28 0.02 0.00 0.37 0.00 0.00 40.66 41.91 3ie2 h LEU 71 CO 0.05 1.16 -0.96 -0.26 -0.34 0.00 0.00 178.44 178.09 3ie2 h PHE 72 N 0.87 1.01 -1.13 1.25 -1.00 -1.35 -3.00 116.94 113.59 3ie2 h PHE 72 Ca 0.12 -0.52 0.33 0.00 2.81 0.00 0.00 57.97 60.71 3ie2 h PHE 72 Cb 0.74 -0.13 -0.05 0.00 3.61 0.00 0.00 35.95 40.13 3ie2 h PHE 72 CO 0.05 1.35 0.82 -0.09 -1.61 0.00 0.00 178.31 178.83 3ie2 h ARG 73 N 0.42 0.00 -0.47 1.51 9.65 -1.16 0.70 114.38 125.03 3ie2 h ARG 73 Ca -0.10 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.69 3ie2 h ARG 73 Cb 1.61 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 30.14 3ie2 h ARG 73 CO 0.19 0.00 0.07 0.39 2.80 0.00 0.00 179.97 183.42 3ie2 n GLU 74 N -4.17 3.41 0.00 0.20 1.02 -1.07 -4.99 120.64 115.06 3ie2 n GLU 74 Ca 0.24 -3.02 0.00 0.00 -0.02 0.00 0.00 57.16 54.36 3ie2 n GLU 74 Cb 1.20 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 3ie2 n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie2 n GLY 75 N -0.27 3.36 3.41 0.62 0.00 0.24 -4.60 105.19 107.96 3ie2 n GLY 75 Ca 0.30 -0.95 -0.46 0.00 0.00 0.00 0.00 46.02 44.90 3ie2 n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ie2 n TYR 76 N 0.00 -0.50 -1.48 1.61 4.19 -1.14 -4.88 117.16 114.97 3ie2 n TYR 76 Ca 0.00 0.85 0.00 0.00 3.31 0.00 0.00 57.90 62.06 3ie2 n TYR 76 Cb 0.00 -1.97 0.00 0.00 0.49 0.00 0.00 39.34 37.86 3ie2 n TYR 76 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3ie2 n ARG 77 N 0.98 0.00 -1.36 2.98 5.12 -1.26 -4.39 116.66 118.73 3ie2 n ARG 77 Ca 0.15 -0.50 -0.30 0.00 -1.93 0.00 0.00 57.85 55.28 3ie2 n ARG 77 Cb 0.29 -0.38 0.23 0.00 -1.16 0.00 0.00 32.46 31.44 3ie2 n ARG 77 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3ie2 s GLY 78 N -0.23 1.65 0.62 -0.13 0.00 -1.26 -5.03 107.32 102.94 3ie2 s GLY 78 Ca 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 44.72 43.50 3ie2 s GLY 78 CO 0.00 -0.21 1.05 2.56 0.00 0.00 0.00 173.10 176.50 3ie2 s PRO 79 N -5.60 3.28 -0.29 2.90 0.04 -1.26 -4.90 135.00 129.16 3ie2 s PRO 79 Ca 0.73 1.09 -0.01 0.00 0.04 0.00 0.00 61.00 62.85 3ie2 s PRO 79 Cb -0.07 -2.03 0.09 0.00 0.04 0.00 0.00 34.50 32.53 3ie2 s PRO 79 CO 0.55 -0.84 0.08 0.08 0.04 0.00 0.00 177.00 176.91 3ie2 s VAL 80 N -2.68 0.99 0.20 -0.36 1.01 -0.45 -1.61 120.40 117.50 3ie2 s VAL 80 Ca 0.61 -1.37 -0.24 0.00 0.00 0.00 0.00 61.98 60.98 3ie2 s VAL 80 Cb -0.15 -1.69 -0.08 0.00 0.00 0.00 0.00 36.38 34.46 3ie2 s VAL 80 CO 0.42 -0.58 0.79 -0.31 0.00 0.00 0.00 175.10 175.42 3ie2 s TYR 81 N 1.57 3.82 0.19 5.22 1.51 0.46 -0.26 117.35 129.86 3ie2 s TYR 81 Ca 0.08 1.60 -0.23 0.00 -1.01 0.00 0.00 57.07 57.50 3ie2 s TYR 81 Cb -0.17 -2.75 0.06 0.00 -0.11 0.00 0.00 41.96 38.98 3ie2 s TYR 81 CO -0.21 0.43 0.92 0.00 -1.11 0.00 0.00 175.55 175.59 3ie2 s ALA 82 N -1.30 -1.52 0.59 3.71 0.00 -1.00 -0.60 121.76 121.63 3ie2 s ALA 82 Ca 0.39 -0.06 -0.14 0.00 0.00 0.00 0.00 51.96 52.15 3ie2 s ALA 82 Cb -0.21 0.69 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 3ie2 s ALA 82 CO 0.25 -1.04 1.03 0.95 0.00 0.00 0.00 175.76 176.94 3ie2 s THR 83 N -3.19 4.30 0.20 0.00 -4.23 -1.07 0.12 115.64 111.77 3ie2 s THR 83 Ca 0.13 0.96 -0.13 0.00 -1.18 0.00 0.00 61.69 61.47 3ie2 s THR 83 Cb -0.02 -3.61 0.17 0.00 1.34 0.00 0.00 72.50 70.38 3ie2 s THR 83 CO 0.04 -0.77 1.66 -0.09 -0.54 0.00 0.00 174.62 174.92 3ie2 h ARG 84 N 0.26 0.07 0.10 3.99 9.65 -1.94 0.37 114.38 126.88 3ie2 h ARG 84 Ca -0.46 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.44 3ie2 h ARG 84 Cb 1.20 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.72 3ie2 h ARG 84 CO 0.60 0.04 -0.30 0.00 2.80 0.00 0.00 179.97 183.11 3ie2 h ALA 85 N 1.53 -0.50 -0.93 2.80 0.00 -1.92 0.81 119.26 121.04 3ie2 h ALA 85 Ca 0.28 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.23 3ie2 h ALA 85 Cb 0.44 0.50 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 3ie2 h ALA 85 CO -0.51 -0.84 0.58 1.15 0.00 0.00 0.00 179.25 179.63 3ie2 h THR 86 N -0.51 1.01 0.77 0.00 2.02 -1.32 -0.49 112.91 114.39 3ie2 h THR 86 Ca 0.04 -0.35 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 3ie2 h THR 86 Cb 0.55 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3ie2 h THR 86 CO -0.19 0.19 -0.41 0.58 0.37 0.00 0.00 175.52 176.05 3ie2 h VAL 87 N 1.02 0.00 -0.82 3.16 2.07 0.68 -1.22 116.25 121.14 3ie2 h VAL 87 Ca 0.42 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.98 3ie2 h VAL 87 Cb 0.26 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 3ie2 h VAL 87 CO -0.20 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 177.86 3ie2 h LEU 88 N -1.09 0.86 -0.90 2.57 3.38 -0.66 -1.59 115.31 117.87 3ie2 h LEU 88 Ca -0.11 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3ie2 h LEU 88 Cb 0.85 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3ie2 h LEU 88 CO 0.15 0.58 -0.17 -0.07 0.09 0.00 0.00 178.44 179.02 3ie2 h LEU 89 N 0.99 0.62 -1.18 1.67 3.38 -1.07 -3.09 115.31 116.62 3ie2 h LEU 89 Ca 0.33 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3ie2 h LEU 89 Cb 0.07 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.60 3ie2 h LEU 89 CO -0.10 0.80 0.56 0.24 0.09 0.00 0.00 178.44 180.03 3ie2 h MET 90 N 0.56 1.01 0.10 1.13 2.86 -0.19 -1.05 114.93 119.34 3ie2 h MET 90 Ca 0.09 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3ie2 h MET 90 Cb 0.61 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3ie2 h MET 90 CO 0.04 0.67 -0.07 1.49 1.06 0.00 0.00 176.91 180.09 3ie2 h GLU 91 N 1.04 -0.17 -0.09 1.72 4.81 -1.44 0.27 114.58 120.72 3ie2 h GLU 91 Ca 0.35 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.60 3ie2 h GLU 91 Cb 0.09 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 3ie2 h GLU 91 CO -0.11 -0.11 0.02 0.82 -0.73 0.00 0.00 179.01 178.89 3ie2 h ILE 92 N -0.18 0.97 -0.12 2.32 2.04 -1.55 -1.40 117.51 119.59 3ie2 h ILE 92 Ca -0.00 -0.02 0.03 0.00 1.00 0.00 0.00 64.86 65.87 3ie2 h ILE 92 Cb 0.16 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3ie2 h ILE 92 CO -0.01 0.01 -0.05 0.58 0.00 0.00 0.00 178.15 178.68 3ie2 h VAL 93 N 0.06 0.83 -0.33 1.67 2.07 -0.92 -2.42 116.25 117.21 3ie2 h VAL 93 Ca 0.04 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.40 3ie2 h VAL 93 Cb 0.03 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3ie2 h VAL 93 CO -0.05 0.00 -0.43 -0.07 0.02 0.00 0.00 177.57 177.04 3ie2 h LEU 94 N -0.03 0.92 -1.70 2.57 4.07 -0.39 -1.18 115.31 119.57 3ie2 h LEU 94 Ca 0.07 -0.44 -0.04 0.00 0.08 0.00 0.00 57.88 57.55 3ie2 h LEU 94 Cb 0.13 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 3ie2 h LEU 94 CO -0.15 1.22 -0.18 -0.33 -1.08 0.00 0.00 178.44 177.93 3ie2 h GLU 95 N 0.69 0.00 -0.01 1.13 5.08 -1.19 -0.56 114.58 119.72 3ie2 h GLU 95 Ca 0.05 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.23 3ie2 h GLU 95 Cb 1.02 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.28 3ie2 h GLU 95 CO 0.10 0.18 -0.69 0.22 -1.00 0.00 0.00 179.01 177.82 3ie2 h ASP 96 N 0.00 0.62 -0.49 1.42 1.82 -1.18 -2.58 116.42 116.03 3ie2 h ASP 96 Ca -0.00 -0.75 0.07 0.00 -0.39 0.00 0.00 57.03 55.96 3ie2 h ASP 96 Cb 0.35 -0.19 -0.06 0.00 0.68 0.00 0.00 39.33 40.12 3ie2 h ASP 96 CO 0.02 1.29 0.17 0.00 -1.61 0.00 0.00 179.24 179.11 3ie2 h ALA 97 N 0.34 0.59 0.57 -0.78 0.00 -0.48 0.35 119.26 119.85 3ie2 h ALA 97 Ca -0.08 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3ie2 h ALA 97 Cb 1.39 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 3ie2 h ALA 97 CO 0.14 -0.22 -0.49 -0.07 0.00 0.00 0.00 179.25 178.60 3ie2 h LEU 98 N 0.34 -1.32 -0.30 0.00 3.38 -1.15 -3.03 115.31 113.24 3ie2 h LEU 98 Ca 0.23 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.37 3ie2 h LEU 98 Cb 0.25 0.42 -0.07 0.00 0.09 0.00 0.00 40.66 41.35 3ie2 h LEU 98 CO -0.24 -0.67 -0.17 0.50 0.09 0.00 0.00 178.44 177.94 3ie2 h LYS 99 N -1.04 -0.14 -2.47 1.13 3.64 -0.98 -2.82 116.57 113.90 3ie2 h LYS 99 Ca -0.07 0.01 -0.72 0.00 -1.27 0.00 0.00 60.65 58.60 3ie2 h LYS 99 Cb 0.88 0.03 -0.15 0.00 -0.41 0.00 0.00 32.23 32.57 3ie2 h LYS 99 CO -0.02 -0.09 1.92 0.28 -2.27 0.00 0.00 179.45 179.28 3ie2 n VAL 100 N -5.34 5.07 -3.68 2.00 0.31 0.12 -4.87 118.33 111.93 3ie2 n VAL 100 Ca 0.00 -4.37 -0.26 0.00 -0.01 0.00 0.00 64.34 59.70 3ie2 n VAL 100 Cb 0.26 -1.92 -0.17 0.00 -0.91 0.00 0.00 33.84 31.10 3ie2 n VAL 100 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3ie2 s MET 101 N -1.73 0.37 0.00 5.55 0.00 -1.07 -4.84 119.30 117.58 3ie2 s MET 101 Ca 0.53 -0.21 0.00 0.00 0.00 0.00 0.00 55.69 56.00 3ie2 s MET 101 Cb 0.22 -1.87 0.00 0.00 0.00 0.00 0.00 34.83 33.18 3ie2 s MET 101 CO -0.12 -0.62 0.58 -0.40 0.00 0.00 0.00 175.02 174.45 3ie2 n ASP 102 N 5.16 0.00 -4.20 1.11 5.75 -1.26 -4.30 116.55 118.82 3ie2 n ASP 102 Ca -0.08 0.58 -0.40 0.00 -0.01 0.00 0.00 54.79 54.88 3ie2 n ASP 102 Cb 0.48 -0.08 -0.09 0.00 -1.03 0.00 0.00 41.12 40.40 3ie2 n ASP 102 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3ie2 s GLU 103 N -1.31 2.39 0.65 0.11 2.12 -1.26 -5.09 118.70 116.31 3ie2 s GLU 103 Ca 0.00 -1.73 -0.17 0.00 0.36 0.00 0.00 54.97 53.43 3ie2 s GLU 103 Cb 0.00 -3.83 -0.00 0.00 0.26 0.00 0.00 34.13 30.56 3ie2 s GLU 103 CO 0.00 -1.13 1.20 -1.25 -0.54 0.00 0.00 175.26 173.54 3ie2 s PRO 104 N 1.32 2.62 0.00 4.30 0.04 -1.26 -4.94 135.00 137.09 3ie2 s PRO 104 Ca 0.06 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.88 3ie2 s PRO 104 Cb -0.25 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.40 3ie2 s PRO 104 CO -0.01 -1.47 0.60 1.97 0.04 0.00 0.00 177.00 178.13 3ie2 n PHE 105 N -2.10 0.00 -3.49 0.56 1.16 -1.26 -5.04 117.46 107.29 3ie2 n PHE 105 Ca 0.13 -0.18 -0.13 0.00 -1.87 0.00 0.00 57.45 55.41 3ie2 n PHE 105 Cb 0.50 -0.02 -0.03 0.00 -1.61 0.00 0.00 39.48 38.32 3ie2 n PHE 105 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 3ie2 s PHE 106 N -0.36 -0.48 0.43 2.97 -0.71 -1.26 -4.81 117.98 113.77 3ie2 s PHE 106 Ca 0.00 0.38 0.06 0.00 -1.04 0.00 0.00 56.93 56.33 3ie2 s PHE 106 Cb 0.00 0.45 -0.05 0.00 -1.21 0.00 0.00 43.02 42.21 3ie2 s PHE 106 CO 0.00 -0.76 0.10 0.20 -1.34 0.00 0.00 175.22 173.43 3ie2 s GLY 107 N -2.43 2.50 0.43 1.99 0.00 -1.26 -4.99 107.32 103.55 3ie2 s GLY 107 Ca -0.01 -1.90 0.15 0.00 0.00 0.00 0.00 44.72 42.96 3ie2 s GLY 107 CO -0.08 -2.02 1.92 -0.56 0.00 0.00 0.00 173.10 172.36 3ie2 h PRO 108 N 1.51 0.41 -0.79 2.90 0.13 -2.00 0.24 132.00 134.39 3ie2 h PRO 108 Ca -0.43 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3ie2 h PRO 108 Cb 1.26 -0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 3ie2 h PRO 108 CO 0.74 0.27 0.50 1.05 -0.23 0.00 0.00 178.00 180.33 3ie2 h GLU 109 N 0.42 1.06 0.00 0.86 9.09 -2.01 -1.57 114.58 122.43 3ie2 h GLU 109 Ca 0.37 -0.08 -0.12 0.00 0.05 0.00 0.00 59.36 59.58 3ie2 h GLU 109 Cb 0.83 -0.23 -0.02 0.00 -1.65 0.00 0.00 28.75 27.68 3ie2 h GLU 109 CO -0.12 0.72 -0.56 -0.44 0.05 0.00 0.00 179.01 178.67 3ie2 h ASP 110 N 1.08 0.00 0.65 3.06 3.32 -0.86 -3.00 116.42 120.67 3ie2 h ASP 110 Ca 0.29 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.31 3ie2 h ASP 110 Cb -0.08 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.47 3ie2 h ASP 110 CO -0.06 0.56 -0.31 0.58 -1.72 0.00 0.00 179.24 178.29 3ie2 h VAL 111 N 0.00 0.00 -0.26 -1.35 2.07 -0.78 -1.64 116.25 114.29 3ie2 h VAL 111 Ca -0.01 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3ie2 h VAL 111 Cb 1.04 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3ie2 h VAL 111 CO 0.07 0.00 0.06 1.05 0.02 0.00 0.00 177.57 178.77 3ie2 h GLU 112 N -1.13 0.36 -0.81 1.57 4.11 -1.61 0.16 114.58 117.23 3ie2 h GLU 112 Ca -0.09 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 59.34 3ie2 h GLU 112 Cb 0.67 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 3ie2 h GLU 112 CO 0.15 0.35 0.51 1.49 0.07 0.00 0.00 179.01 181.57 3ie2 h GLU 113 N 0.36 0.93 0.16 1.06 4.57 -1.52 0.41 114.58 120.56 3ie2 h GLU 113 Ca 0.09 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3ie2 h GLU 113 Cb 0.15 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 3ie2 h GLU 113 CO -0.00 0.62 -0.08 0.00 -1.18 0.00 0.00 179.01 178.36 3ie2 h ALA 114 N 1.36 -0.22 -0.77 2.92 0.00 -0.14 -3.11 119.26 119.30 3ie2 h ALA 114 Ca 0.34 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.18 3ie2 h ALA 114 Cb 0.08 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3ie2 h ALA 114 CO -0.14 -0.33 0.52 -0.07 0.00 0.00 0.00 179.25 179.22 3ie2 h LEU 115 N -0.79 0.37 -1.96 0.00 3.38 -0.53 -1.00 115.31 114.78 3ie2 h LEU 115 Ca -0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3ie2 h LEU 115 Cb 0.53 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3ie2 h LEU 115 CO 0.04 0.19 -0.11 1.23 0.09 0.00 0.00 178.44 179.88 3ie2 h GLY 116 N 0.39 0.00 -1.66 0.83 0.00 -0.11 -2.75 103.07 99.77 3ie2 h GLY 116 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3ie2 h GLY 116 CO -0.12 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.84 3ie2 n HIS 117 N -3.63 0.15 -2.11 5.60 8.25 -0.38 -4.94 115.22 118.15 3ie2 n HIS 117 Ca -0.02 -0.08 -0.42 0.00 -0.26 0.00 0.00 57.72 56.95 3ie2 n HIS 117 Cb 0.23 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 3ie2 n HIS 117 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ie2 s LEU 118 N -1.82 4.38 -0.07 2.41 1.43 -1.04 -1.35 118.68 122.61 3ie2 s LEU 118 Ca 0.33 2.42 0.01 0.00 -1.03 0.00 0.00 54.13 55.86 3ie2 s LEU 118 Cb 0.21 -3.59 0.02 0.00 0.03 0.00 0.00 46.19 42.85 3ie2 s LEU 118 CO 0.31 -0.68 -0.09 -0.13 0.23 0.00 0.00 176.35 175.98 3ie2 s ARG 119 N 0.91 1.47 0.45 1.70 0.52 0.64 -4.88 118.95 119.75 3ie2 s ARG 119 Ca 0.65 -0.31 -0.22 0.00 -0.52 0.00 0.00 55.73 55.33 3ie2 s ARG 119 Cb -0.39 -1.33 -0.11 0.00 0.52 0.00 0.00 34.95 33.64 3ie2 s ARG 119 CO 0.32 -0.07 0.65 -0.35 0.02 0.00 0.00 175.30 175.87 3ie2 n PRO 120 N 4.14 0.72 -3.55 3.54 -0.04 -1.26 -2.38 135.00 136.18 3ie2 n PRO 120 Ca -0.21 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 3ie2 n PRO 120 Cb 0.51 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 3ie2 n PRO 120 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ie2 s LEU 121 N 1.04 -1.12 0.17 1.53 2.96 0.32 -4.67 118.68 118.90 3ie2 s LEU 121 Ca 0.64 1.39 0.07 0.00 -0.22 0.00 0.00 54.13 56.02 3ie2 s LEU 121 Cb -0.56 2.22 -0.04 0.00 0.50 0.00 0.00 46.19 48.31 3ie2 s LEU 121 CO 0.57 -0.21 0.01 -1.61 -1.32 0.00 0.00 176.35 173.78 3ie2 s GLU 122 N 2.85 2.45 0.04 1.98 0.41 -1.26 -2.59 118.70 122.58 3ie2 s GLU 122 Ca -0.02 -1.07 -0.33 0.00 -0.41 0.00 0.00 54.97 53.14 3ie2 s GLU 122 Cb -0.12 -2.39 -0.17 0.00 -1.78 0.00 0.00 34.13 29.67 3ie2 s GLU 122 CO -0.19 0.46 0.85 0.66 -0.49 0.00 0.00 175.26 176.55 3ie2 n TYR 123 N -0.09 0.37 -1.02 1.61 4.01 -1.26 -0.75 117.16 120.02 3ie2 n TYR 123 Ca -0.10 0.92 -0.01 0.00 -0.16 0.00 0.00 57.90 58.56 3ie2 n TYR 123 Cb 0.55 -1.83 -0.00 0.00 -0.31 0.00 0.00 39.34 37.75 3ie2 n TYR 123 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ie2 n GLY 124 N 1.42 0.43 3.78 2.72 0.00 -1.00 -4.98 105.19 107.56 3ie2 n GLY 124 Ca 0.17 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 3ie2 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie2 s GLU 125 N -0.78 3.93 -0.20 1.61 2.02 0.07 -5.00 118.70 120.35 3ie2 s GLU 125 Ca 0.00 -0.19 -0.10 0.00 0.02 0.00 0.00 54.97 54.71 3ie2 s GLU 125 Cb 0.00 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.84 3ie2 s GLU 125 CO 0.00 0.47 0.12 -1.58 0.02 0.00 0.00 175.26 174.29 3ie2 s TRP 126 N -0.12 3.39 0.13 1.61 0.52 -1.26 -4.14 118.94 119.07 3ie2 s TRP 126 Ca 0.10 0.30 0.04 0.00 0.02 0.00 0.00 56.10 56.56 3ie2 s TRP 126 Cb -0.11 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 30.02 3ie2 s TRP 126 CO 0.00 0.28 0.16 -1.17 0.02 0.00 0.00 176.95 176.24 3ie2 s LEU 127 N 0.34 3.96 -0.05 2.99 2.96 0.18 -4.95 118.68 124.12 3ie2 s LEU 127 Ca 0.07 -0.00 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 3ie2 s LEU 127 Cb -0.11 -2.58 0.02 0.00 0.50 0.00 0.00 46.19 44.02 3ie2 s LEU 127 CO -0.02 0.10 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.94 3ie2 s ARG 128 N -2.88 0.83 -0.24 1.98 1.81 -1.26 -1.16 118.95 118.03 3ie2 s ARG 128 Ca 0.32 -0.10 -0.04 0.00 -1.72 0.00 0.00 55.73 54.19 3ie2 s ARG 128 Cb -0.11 -0.86 0.09 0.00 -0.45 0.00 0.00 34.95 33.62 3ie2 s ARG 128 CO 0.24 -0.09 0.14 -0.51 -0.68 0.00 0.00 175.30 174.40 3ie2 s LEU 129 N 0.98 0.35 0.00 2.53 1.43 0.38 -5.02 118.68 119.33 3ie2 s LEU 129 Ca -0.10 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.07 3ie2 s LEU 129 Cb -0.14 -0.18 0.00 0.00 0.03 0.00 0.00 46.19 45.90 3ie2 s LEU 129 CO -0.00 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.79 3ie2 n GLY 130 N 5.27 2.44 0.09 -3.19 0.00 -1.26 -1.05 105.19 107.49 3ie2 n GLY 130 Ca -0.06 -0.43 0.14 0.00 0.00 0.00 0.00 46.02 45.68 3ie2 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie2 n ALA 131 N 9.69 2.69 -2.67 4.61 0.00 -1.26 -4.84 120.51 128.73 3ie2 n ALA 131 Ca 0.00 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 3ie2 n ALA 131 Cb 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.04 3ie2 n ALA 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ie2 s LEU 132 N -2.44 4.15 -0.20 0.00 2.96 -0.22 -4.53 118.68 118.40 3ie2 s LEU 132 Ca 0.31 1.37 -0.01 0.00 -0.22 0.00 0.00 54.13 55.57 3ie2 s LEU 132 Cb 0.20 -3.48 0.00 0.00 0.50 0.00 0.00 46.19 43.42 3ie2 s LEU 132 CO 0.46 -0.56 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.37 3ie2 s SER 133 N 1.18 3.76 0.09 3.68 0.01 0.68 -0.47 113.70 122.64 3ie2 s SER 133 Ca 0.44 -0.50 0.09 0.00 1.31 0.00 0.00 55.95 57.29 3ie2 s SER 133 Cb -0.16 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 3ie2 s SER 133 CO 0.10 0.00 -0.23 -0.76 0.41 0.00 0.00 173.24 172.76 3ie2 s LEU 134 N 1.33 2.43 0.03 2.44 1.43 -0.31 -0.58 118.68 125.45 3ie2 s LEU 134 Ca 0.04 -0.61 -0.22 0.00 -1.03 0.00 0.00 54.13 52.31 3ie2 s LEU 134 Cb -0.14 -1.37 0.05 0.00 0.03 0.00 0.00 46.19 44.76 3ie2 s LEU 134 CO -0.07 0.21 0.51 0.00 0.23 0.00 0.00 176.35 177.23 3ie2 s ALA 135 N -1.01 -1.30 0.09 4.21 0.00 -0.84 0.51 121.76 123.43 3ie2 s ALA 135 Ca 0.15 0.64 -0.16 0.00 0.00 0.00 0.00 51.96 52.59 3ie2 s ALA 135 Cb -0.10 0.29 -0.07 0.00 0.00 0.00 0.00 23.12 23.24 3ie2 s ALA 135 CO 0.06 -0.45 0.52 -0.06 0.00 0.00 0.00 175.76 175.83 3ie2 s PHE 136 N -2.15 3.70 0.17 0.00 0.08 -1.26 -1.10 117.98 117.42 3ie2 s PHE 136 Ca -0.07 1.11 0.11 0.00 0.12 0.00 0.00 56.93 58.20 3ie2 s PHE 136 Cb -0.01 -2.39 -0.04 0.00 -0.57 0.00 0.00 43.02 40.01 3ie2 s PHE 136 CO 0.01 0.53 -0.24 0.20 -0.10 0.00 0.00 175.22 175.62 3ie2 s GLY 137 N -1.38 1.62 -0.27 4.36 0.00 0.13 -2.39 107.32 109.40 3ie2 s GLY 137 Ca 0.32 -1.56 -0.29 0.00 0.00 0.00 0.00 44.72 43.18 3ie2 s GLY 137 CO 0.18 -1.58 1.66 1.62 0.00 0.00 0.00 173.10 174.98 3ie2 s GLN 138 N -2.50 3.64 -0.12 2.90 2.00 -1.26 -0.75 119.66 123.56 3ie2 s GLN 138 Ca 0.18 1.54 0.17 0.00 -2.00 0.00 0.00 55.36 55.25 3ie2 s GLN 138 Cb -0.08 -4.09 -0.24 0.00 0.80 0.00 0.00 33.01 29.40 3ie2 s GLN 138 CO 0.08 -1.49 0.31 0.00 -0.50 0.00 0.00 175.29 173.69 3ie2 n ALA 139 N 9.04 1.69 -3.66 1.58 0.00 -1.14 0.13 120.51 128.15 3ie2 n ALA 139 Ca 0.20 -1.06 -0.22 0.00 0.00 0.00 0.00 53.44 52.37 3ie2 n ALA 139 Cb 0.46 -0.45 0.05 0.00 0.00 0.00 0.00 19.45 19.50 3ie2 n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie2 n GLY 140 N 1.62 -0.34 0.00 0.00 0.00 -1.26 -1.33 105.19 103.88 3ie2 n GLY 140 Ca -0.24 0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.93 3ie2 n GLY 140 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ie2 n HIS 141 N -4.33 0.00 -3.76 1.61 -0.00 -1.26 -3.51 115.22 103.97 3ie2 n HIS 141 Ca -0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.45 3ie2 n HIS 141 Cb 0.65 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.99 30.56 3ie2 n HIS 141 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ie2 s LEU 142 N -3.19 -0.16 0.02 0.27 1.43 -1.26 -4.92 118.68 110.87 3ie2 s LEU 142 Ca -0.01 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 3ie2 s LEU 142 Cb 0.02 2.12 -0.06 0.00 0.03 0.00 0.00 46.19 48.31 3ie2 s LEU 142 CO 0.14 -0.89 1.44 -2.84 0.23 0.00 0.00 176.35 174.43 3ie2 s PRO 143 N -3.17 4.27 0.00 1.29 0.02 -1.26 -1.62 135.00 134.54 3ie2 s PRO 143 Ca 0.13 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.18 3ie2 s PRO 143 Cb -0.01 -3.56 0.00 0.00 0.02 0.00 0.00 34.50 30.95 3ie2 s PRO 143 CO 0.02 -0.59 0.00 0.41 -0.33 0.00 0.00 177.00 176.51 3ie2 n GLY 144 N 3.69 0.99 3.77 0.52 0.00 -1.26 -4.03 105.19 108.87 3ie2 n GLY 144 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3ie2 n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ie2 s SER 145 N -3.04 5.98 0.14 1.61 1.04 -0.64 -4.60 113.70 114.18 3ie2 s SER 145 Ca 0.00 2.92 -0.17 0.00 0.48 0.00 0.00 55.95 59.17 3ie2 s SER 145 Cb 0.00 -2.65 0.04 0.00 0.10 0.00 0.00 66.02 63.51 3ie2 s SER 145 CO 0.00 -1.11 0.44 0.00 0.98 0.00 0.00 173.24 173.56 3ie2 s ALA 146 N -1.20 -1.05 0.04 5.32 0.00 -0.47 -2.89 121.76 121.52 3ie2 s ALA 146 Ca 0.59 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.63 3ie2 s ALA 146 Cb -0.44 0.74 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 3ie2 s ALA 146 CO 0.57 -0.68 -0.06 -0.59 0.00 0.00 0.00 175.76 175.00 3ie2 s PHE 147 N -3.80 2.88 -0.04 0.00 -0.71 0.07 -4.63 117.98 111.75 3ie2 s PHE 147 Ca 0.03 -0.06 -0.19 0.00 -1.04 0.00 0.00 56.93 55.68 3ie2 s PHE 147 Cb 0.01 -1.57 -0.05 0.00 -1.21 0.00 0.00 43.02 40.21 3ie2 s PHE 147 CO -0.11 0.40 0.53 0.08 -1.34 0.00 0.00 175.22 174.78 3ie2 s VAL 148 N -1.09 5.02 -0.33 -2.49 1.01 0.20 0.19 120.40 122.91 3ie2 s VAL 148 Ca 0.19 1.09 -0.04 0.00 0.00 0.00 0.00 61.98 63.22 3ie2 s VAL 148 Cb -0.11 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.46 3ie2 s VAL 148 CO 0.11 0.41 0.06 -0.69 0.00 0.00 0.00 175.10 174.99 3ie2 s VAL 149 N -0.04 3.33 -0.15 2.92 1.01 -0.26 0.46 120.40 127.67 3ie2 s VAL 149 Ca 0.28 -1.36 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 3ie2 s VAL 149 Cb -0.17 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 3ie2 s VAL 149 CO 0.14 -0.20 0.09 0.00 0.00 0.00 0.00 175.10 175.14 3ie2 s ALA 150 N 1.30 3.60 -0.03 5.51 0.00 0.14 -1.98 121.76 130.30 3ie2 s ALA 150 Ca -0.02 -0.71 -0.00 0.00 0.00 0.00 0.00 51.96 51.23 3ie2 s ALA 150 Cb -0.20 -1.92 0.03 0.00 0.00 0.00 0.00 23.12 21.02 3ie2 s ALA 150 CO 0.00 0.37 0.02 -1.14 0.00 0.00 0.00 175.76 175.01 3ie2 s GLN 151 N -0.26 0.12 0.00 0.00 -0.44 0.25 0.10 119.66 119.43 3ie2 s GLN 151 Ca 0.09 0.16 0.00 0.00 -2.50 0.00 0.00 55.36 53.11 3ie2 s GLN 151 Cb -0.12 -0.39 0.00 0.00 -1.64 0.00 0.00 33.01 30.86 3ie2 s GLN 151 CO 0.01 -0.17 0.00 0.41 0.50 0.00 0.00 175.29 176.04 3ie2 n GLY 152 N 4.29 0.67 2.72 2.59 0.00 -0.77 -0.23 105.19 114.47 3ie2 n GLY 152 Ca -0.25 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 3ie2 n GLY 152 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ie2 n GLU 153 N -0.17 -2.68 -0.95 1.61 1.02 -1.26 0.81 120.64 119.02 3ie2 n GLU 153 Ca 0.00 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 3ie2 n GLU 153 Cb 0.00 -5.13 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 3ie2 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie2 n GLY 154 N -0.89 0.43 3.81 0.62 0.00 -1.26 -4.98 105.19 102.92 3ie2 n GLY 154 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 3ie2 n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie2 s ARG 155 N -0.57 2.28 -0.11 1.61 1.81 0.24 -5.11 118.95 119.10 3ie2 s ARG 155 Ca 0.00 -1.88 -0.05 0.00 -1.72 0.00 0.00 55.73 52.08 3ie2 s ARG 155 Cb 0.00 -2.04 0.06 0.00 -0.45 0.00 0.00 34.95 32.51 3ie2 s ARG 155 CO 0.00 -0.28 0.24 0.99 -0.68 0.00 0.00 175.30 175.57 3ie2 s THR 156 N -2.65 -0.25 -0.03 0.02 2.01 -1.26 -1.85 115.64 111.64 3ie2 s THR 156 Ca 0.38 0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.68 3ie2 s THR 156 Cb 0.01 -0.40 -0.02 0.00 0.01 0.00 0.00 72.50 72.10 3ie2 s THR 156 CO 0.22 0.10 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.78 3ie2 s LEU 157 N 1.93 2.13 -0.15 4.42 2.96 0.11 0.49 118.68 130.58 3ie2 s LEU 157 Ca -0.03 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3ie2 s LEU 157 Cb -0.11 -1.37 0.00 0.00 0.50 0.00 0.00 46.19 45.21 3ie2 s LEU 157 CO -0.08 0.31 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.39 3ie2 s VAL 158 N -0.53 2.41 -0.22 1.68 1.01 0.51 0.26 120.40 125.52 3ie2 s VAL 158 Ca 0.07 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.14 3ie2 s VAL 158 Cb -0.11 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3ie2 s VAL 158 CO 0.00 0.53 0.01 -0.47 0.00 0.00 0.00 175.10 175.17 3ie2 s TYR 159 N 0.86 3.03 0.11 5.22 6.04 0.17 0.00 117.35 132.78 3ie2 s TYR 159 Ca -0.05 -0.58 -0.04 0.00 0.04 0.00 0.00 57.07 56.43 3ie2 s TYR 159 Cb -0.15 -2.14 -0.16 0.00 -1.04 0.00 0.00 41.96 38.47 3ie2 s TYR 159 CO -0.02 -0.36 1.25 0.66 -1.54 0.00 0.00 175.55 175.54 3ie2 h SER 160 N 7.90 0.48 0.00 4.32 4.64 -1.60 0.56 113.55 129.85 3ie2 h SER 160 Ca -0.38 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.51 3ie2 h SER 160 Cb 1.17 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3ie2 h SER 160 CO 0.60 1.27 0.00 0.61 -0.87 0.00 0.00 176.83 178.43 3ie2 n GLY 161 N 1.16 1.60 3.38 -0.77 0.00 -1.26 -4.26 105.19 105.04 3ie2 n GLY 161 Ca -0.07 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 44.92 3ie2 n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ie2 s ASP 162 N -4.00 5.55 0.17 1.61 -0.00 -1.26 -4.41 116.67 114.34 3ie2 s ASP 162 Ca 0.00 -0.82 -0.30 0.00 -0.00 0.00 0.00 52.55 51.43 3ie2 s ASP 162 Cb 0.00 -1.98 -0.08 0.00 -0.00 0.00 0.00 42.92 40.86 3ie2 s ASP 162 CO 0.00 -0.29 1.18 -0.76 -0.00 0.00 0.00 175.17 175.29 3ie2 s LEU 163 N 1.55 4.45 1.06 1.23 2.01 -1.26 -4.46 118.68 123.26 3ie2 s LEU 163 Ca 0.03 2.19 -0.18 0.00 0.01 0.00 0.00 54.13 56.17 3ie2 s LEU 163 Cb -0.18 -3.60 0.24 0.00 0.01 0.00 0.00 46.19 42.66 3ie2 s LEU 163 CO 0.06 -0.35 1.27 -0.83 1.01 0.00 0.00 176.35 177.51 3ie2 s GLY 164 N 0.15 1.74 -0.73 -3.19 0.00 -0.44 -1.04 107.32 103.82 3ie2 s GLY 164 Ca 0.53 -1.21 -0.15 0.00 0.00 0.00 0.00 44.72 43.88 3ie2 s GLY 164 CO 0.36 -0.36 0.70 0.21 0.00 0.00 0.00 173.10 174.01 3ie2 s ASN 165 N -4.64 6.53 0.62 1.64 3.04 -1.22 -2.88 114.94 118.04 3ie2 s ASN 165 Ca 0.75 -2.27 0.28 0.00 0.04 0.00 0.00 52.86 51.65 3ie2 s ASN 165 Cb -0.04 -2.23 1.41 0.00 -1.54 0.00 0.00 41.25 38.85 3ie2 s ASN 165 CO 0.54 -0.74 1.82 0.08 -3.04 0.00 0.00 177.10 175.76 3ie2 h ARG 166 N 8.30 0.00 -0.09 0.43 0.11 -1.92 -2.72 114.38 118.50 3ie2 h ARG 166 Ca -0.05 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.98 3ie2 h ARG 166 Cb 1.06 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.13 3ie2 h ARG 166 CO 0.89 0.00 -0.20 0.93 0.10 0.00 0.00 179.97 181.69 3ie2 h GLU 167 N 0.00 0.14 -7.24 0.08 5.08 -1.97 -3.45 114.58 107.23 3ie2 h GLU 167 Ca 0.16 -0.04 -0.40 0.00 -1.00 0.00 0.00 59.36 58.08 3ie2 h GLU 167 Cb 1.19 -0.02 0.20 0.00 0.50 0.00 0.00 28.75 30.63 3ie2 h GLU 167 CO -0.00 0.34 0.02 0.15 -1.00 0.00 0.00 179.01 178.53 3ie2 s LYS 168 N -4.59 -1.96 -0.01 2.33 1.02 -1.03 -4.83 119.74 110.68 3ie2 s LYS 168 Ca -0.05 0.04 0.07 0.00 0.02 0.00 0.00 55.97 56.05 3ie2 s LYS 168 Cb 0.15 -1.50 -0.09 0.00 -0.52 0.00 0.00 37.83 35.87 3ie2 s LYS 168 CO 0.73 -4.22 0.22 -0.25 -0.92 0.00 0.00 175.35 170.91 3ie2 n ASP 169 N -5.14 1.95 0.00 2.83 10.43 -1.26 -4.84 116.55 120.51 3ie2 n ASP 169 Ca 0.13 -0.31 -0.13 0.00 2.57 0.00 0.00 54.79 57.05 3ie2 n ASP 169 Cb 0.60 1.17 -0.10 0.00 1.84 0.00 0.00 41.12 44.63 3ie2 n ASP 169 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3ie2 h VAL 170 N 0.00 1.29 -3.10 2.53 2.07 -1.97 -3.43 116.25 113.64 3ie2 h VAL 170 Ca 0.00 -1.33 -0.47 0.00 0.82 0.00 0.00 66.70 65.72 3ie2 h VAL 170 Cb 0.25 2.14 0.03 0.00 -1.52 0.00 0.00 31.29 32.19 3ie2 h VAL 170 CO 0.00 0.32 -0.02 -0.76 0.02 0.00 0.00 177.57 177.13 3ie2 s LEU 171 N -9.00 3.66 0.85 2.57 2.01 -1.26 -1.20 118.68 116.31 3ie2 s LEU 171 Ca -0.15 0.55 -0.12 0.00 0.01 0.00 0.00 54.13 54.41 3ie2 s LEU 171 Cb 0.01 -3.43 0.10 0.00 0.01 0.00 0.00 46.19 42.88 3ie2 s LEU 171 CO 0.62 -0.64 1.16 -2.16 1.01 0.00 0.00 176.35 176.34 3ie2 s PRO 172 N -4.62 1.64 0.43 1.29 0.04 -1.26 -4.41 135.00 128.12 3ie2 s PRO 172 Ca 0.47 0.21 -0.25 0.00 0.04 0.00 0.00 61.00 61.47 3ie2 s PRO 172 Cb -0.10 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 3ie2 s PRO 172 CO 0.40 -1.84 1.34 -0.51 0.04 0.00 0.00 177.00 176.44 3ie2 s ASP 173 N -4.32 6.09 0.85 6.66 1.01 -1.26 -4.39 116.67 121.30 3ie2 s ASP 173 Ca 0.63 2.73 -0.10 0.00 0.71 0.00 0.00 52.55 56.51 3ie2 s ASP 173 Cb -0.13 -2.64 0.10 0.00 1.01 0.00 0.00 42.92 41.27 3ie2 s ASP 173 CO 0.51 -1.01 1.12 -2.84 0.21 0.00 0.00 175.17 173.16 3ie2 s PRO 174 N -2.38 1.61 0.10 8.23 0.02 -1.26 -4.65 135.00 136.65 3ie2 s PRO 174 Ca 0.60 1.33 -0.04 0.00 0.02 0.00 0.00 61.00 62.91 3ie2 s PRO 174 Cb -0.39 -1.81 -0.05 0.00 0.02 0.00 0.00 34.50 32.27 3ie2 s PRO 174 CO 0.50 -2.15 0.31 0.45 -0.33 0.00 0.00 177.00 175.78 3ie2 s SER 175 N -3.05 6.46 0.49 2.53 0.15 0.36 -4.96 113.70 115.68 3ie2 s SER 175 Ca 0.64 0.50 -0.22 0.00 0.70 0.00 0.00 55.95 57.57 3ie2 s SER 175 Cb -0.20 -2.06 -0.07 0.00 -1.71 0.00 0.00 66.02 61.99 3ie2 s SER 175 CO 0.57 0.12 1.21 -0.76 1.20 0.00 0.00 173.24 175.59 3ie2 s LEU 176 N -2.44 3.95 0.50 3.45 1.43 -1.26 -4.89 118.68 119.42 3ie2 s LEU 176 Ca 0.37 2.42 -0.14 0.00 -1.03 0.00 0.00 54.13 55.75 3ie2 s LEU 176 Cb -0.13 -4.28 -0.07 0.00 0.03 0.00 0.00 46.19 41.75 3ie2 s LEU 176 CO 0.24 -1.12 0.93 -2.16 0.23 0.00 0.00 176.35 174.47 3ie2 s PRO 177 N -2.80 3.83 0.67 1.29 0.04 -1.26 -5.01 135.00 131.76 3ie2 s PRO 177 Ca 0.66 0.76 -0.14 0.00 0.04 0.00 0.00 61.00 62.33 3ie2 s PRO 177 Cb -0.31 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.03 3ie2 s PRO 177 CO 0.38 -0.26 1.08 -1.25 0.04 0.00 0.00 177.00 176.99 3ie2 s PRO 178 N -4.24 2.87 0.10 0.56 0.04 -1.26 -4.90 135.00 128.16 3ie2 s PRO 178 Ca 0.56 1.21 -0.31 0.00 0.04 0.00 0.00 61.00 62.50 3ie2 s PRO 178 Cb -0.10 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 3ie2 s PRO 178 CO 0.36 -1.17 1.88 -0.11 0.04 0.00 0.00 177.00 178.00 3ie2 n LEU 179 N -2.65 4.09 -4.56 -3.56 7.94 -1.26 -4.96 117.00 112.05 3ie2 n LEU 179 Ca 0.09 0.96 -0.26 0.00 -1.11 0.00 0.00 56.01 55.69 3ie2 n LEU 179 Cb 0.53 -1.54 -0.11 0.00 0.53 0.00 0.00 43.42 42.83 3ie2 n LEU 179 CO 0.50 0.19 -0.34 0.00 -1.11 0.00 0.00 177.39 176.63 3ie2 s ALA 180 N 3.28 2.95 -0.02 1.96 0.00 -1.26 -5.00 121.76 123.67 3ie2 s ALA 180 Ca 0.84 -2.15 0.11 0.00 0.00 0.00 0.00 51.96 50.76 3ie2 s ALA 180 Cb -0.47 0.09 -0.11 0.00 0.00 0.00 0.00 23.12 22.63 3ie2 s ALA 180 CO 0.39 -0.03 1.21 -0.44 0.00 0.00 0.00 175.76 176.89 3ie2 h ASP 181 N 1.96 0.00 -3.55 0.00 3.45 -0.33 -3.41 116.42 114.53 3ie2 h ASP 181 Ca -0.42 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 56.96 3ie2 h ASP 181 Cb 1.24 0.00 -0.23 0.00 -0.56 0.00 0.00 39.33 39.78 3ie2 h ASP 181 CO 0.74 0.79 -0.11 -0.22 -1.57 0.00 0.00 179.24 178.87 3ie2 s LEU 182 N -6.44 -0.28 -0.18 1.55 2.96 -0.97 -4.43 118.68 110.88 3ie2 s LEU 182 Ca 0.01 1.14 0.00 0.00 -0.22 0.00 0.00 54.13 55.07 3ie2 s LEU 182 Cb 0.09 1.86 0.02 0.00 0.50 0.00 0.00 46.19 48.65 3ie2 s LEU 182 CO 0.80 -0.20 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.75 3ie2 s VAL 183 N 0.86 2.24 -0.60 1.68 1.01 -0.83 -0.36 120.40 124.40 3ie2 s VAL 183 Ca -0.05 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 3ie2 s VAL 183 Cb -0.05 -1.95 0.14 0.00 0.00 0.00 0.00 36.38 34.52 3ie2 s VAL 183 CO -0.07 0.53 0.59 -0.22 0.00 0.00 0.00 175.10 175.92 3ie2 s LEU 184 N 1.27 6.09 0.20 3.92 2.96 0.10 -0.55 118.68 132.67 3ie2 s LEU 184 Ca 0.04 -1.85 0.06 0.00 -0.22 0.00 0.00 54.13 52.17 3ie2 s LEU 184 Cb -0.13 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 3ie2 s LEU 184 CO -0.11 -0.88 0.11 0.00 -1.32 0.00 0.00 176.35 174.16 3ie2 s ALA 185 N 1.64 3.46 0.48 5.97 0.00 -0.27 -1.72 121.76 131.34 3ie2 s ALA 185 Ca 0.07 -1.34 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 3ie2 s ALA 185 Cb -0.26 -1.22 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 3ie2 s ALA 185 CO 0.02 0.41 0.77 -1.83 0.00 0.00 0.00 175.76 175.13 3ie2 s GLU 186 N -3.31 3.38 0.00 0.00 -1.05 -1.26 -0.30 118.70 116.17 3ie2 s GLU 186 Ca 0.31 0.05 0.00 0.00 -0.15 0.00 0.00 54.97 55.18 3ie2 s GLU 186 Cb -0.09 -2.40 0.01 0.00 -0.44 0.00 0.00 34.13 31.20 3ie2 s GLU 186 CO 0.22 -0.26 0.88 0.41 0.95 0.00 0.00 175.26 177.46 3ie2 n GLY 187 N -2.25 0.63 0.19 -3.83 0.00 0.06 -4.84 105.19 95.14 3ie2 n GLY 187 Ca 0.01 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3ie2 n GLY 187 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ie2 n THR 188 N 0.01 -0.24 -2.76 2.61 -1.04 -0.72 0.62 114.28 112.77 3ie2 n THR 188 Ca -0.00 1.21 -0.27 0.00 -2.04 0.00 0.00 64.05 62.94 3ie2 n THR 188 Cb 0.66 -1.84 -0.02 0.00 -1.82 0.00 0.00 70.33 67.31 3ie2 n THR 188 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3ie2 n TYR 189 N -4.54 3.80 0.24 -1.42 4.02 -1.26 -4.80 117.16 113.20 3ie2 n TYR 189 Ca 0.16 -3.64 0.14 0.00 -0.01 0.00 0.00 57.90 54.55 3ie2 n TYR 189 Cb 0.55 -0.36 0.32 0.00 -0.02 0.00 0.00 39.34 39.82 3ie2 n TYR 189 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3ie2 h GLY 190 N 2.86 0.00 1.37 2.72 0.00 -0.01 -1.92 103.07 108.08 3ie2 h GLY 190 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.23 3ie2 h GLY 190 CO 0.84 0.00 -1.43 1.29 0.00 0.00 0.00 176.54 177.25 3ie2 h ASP 191 N 0.00 0.51 -5.02 0.19 -0.00 -1.83 -3.24 116.42 107.03 3ie2 h ASP 191 Ca 0.00 -0.60 -0.09 0.00 -0.00 0.00 0.00 57.03 56.34 3ie2 h ASP 191 Cb 0.86 -0.16 -0.18 0.00 -0.00 0.00 0.00 39.33 39.85 3ie2 h ASP 191 CO 0.00 1.49 -0.15 0.00 -0.00 0.00 0.00 179.24 180.58 3ie2 s ARG 192 N -2.63 0.85 0.71 4.15 1.70 -1.25 -4.98 118.95 117.50 3ie2 s ARG 192 Ca -0.07 -0.27 -0.09 0.00 -0.47 0.00 0.00 55.73 54.82 3ie2 s ARG 192 Cb 0.06 0.38 0.05 0.00 -0.57 0.00 0.00 34.95 34.87 3ie2 s ARG 192 CO 0.88 -0.27 1.05 -1.25 -1.08 0.00 0.00 175.30 174.63 3ie2 s PRO 193 N -2.03 2.40 0.45 3.89 0.04 -1.26 -2.85 135.00 135.63 3ie2 s PRO 193 Ca -0.08 0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.01 3ie2 s PRO 193 Cb -0.02 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.42 3ie2 s PRO 193 CO 0.01 -1.19 0.64 -1.01 0.04 0.00 0.00 177.00 175.49 3ie2 s HIS 194 N -3.30 3.05 0.27 0.56 3.76 -1.26 -4.88 115.29 113.49 3ie2 s HIS 194 Ca 0.59 -0.01 -0.29 0.00 -0.15 0.00 0.00 55.06 55.20 3ie2 s HIS 194 Cb -0.11 -2.36 -0.10 0.00 1.11 0.00 0.00 32.58 31.12 3ie2 s HIS 194 CO 0.47 -0.42 1.24 1.03 -0.85 0.00 0.00 174.74 176.21 3ie2 s ARG 195 N -4.50 4.46 0.36 1.40 0.52 -1.26 -4.92 118.95 115.01 3ie2 s ARG 195 Ca 0.51 2.03 -0.25 0.00 -0.52 0.00 0.00 55.73 57.50 3ie2 s ARG 195 Cb -0.10 -3.15 -0.13 0.00 0.52 0.00 0.00 34.95 32.09 3ie2 s ARG 195 CO 0.36 -0.08 0.71 -2.30 0.02 0.00 0.00 175.30 174.01 3ie2 n PRO 196 N 1.52 0.78 0.47 3.54 -0.02 -1.26 -4.09 135.00 135.94 3ie2 n PRO 196 Ca 0.02 0.28 -0.20 0.00 -2.02 0.00 0.00 63.50 61.58 3ie2 n PRO 196 Cb 0.43 -1.59 -0.10 0.00 -0.02 0.00 0.00 33.50 32.22 3ie2 n PRO 196 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ie2 h TYR 197 N 1.19 -1.25 -0.85 6.00 -0.00 -1.88 -2.60 116.97 117.58 3ie2 h TYR 197 Ca -0.39 -0.02 0.08 0.00 -0.00 0.00 0.00 58.73 58.40 3ie2 h TYR 197 Cb 1.38 0.43 -0.11 0.00 -0.00 0.00 0.00 36.73 38.44 3ie2 h TYR 197 CO 0.40 -0.74 -0.56 -0.09 -0.00 0.00 0.00 178.16 177.17 3ie2 h ARG 198 N -1.24 -0.07 0.00 1.82 9.65 -1.91 0.45 114.38 123.08 3ie2 h ARG 198 Ca -0.12 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3ie2 h ARG 198 Cb 0.97 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 3ie2 h ARG 198 CO 0.15 -0.05 0.00 1.05 2.80 0.00 0.00 179.97 183.93 3ie2 h GLU 199 N -0.08 0.00 -0.09 0.20 4.11 -1.95 -1.72 114.58 115.05 3ie2 h GLU 199 Ca 0.14 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.33 3ie2 h GLU 199 Cb 0.43 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.69 3ie2 h GLU 199 CO -0.84 0.00 -0.88 1.15 0.07 0.00 0.00 179.01 178.50 3ie2 h THR 200 N 0.00 1.28 -0.32 -1.06 2.02 0.22 -1.11 112.91 113.95 3ie2 h THR 200 Ca 0.00 -2.09 -0.03 0.00 0.77 0.00 0.00 66.41 65.06 3ie2 h THR 200 Cb 0.29 2.14 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 3ie2 h THR 200 CO 0.00 0.65 0.08 0.58 0.37 0.00 0.00 175.52 177.21 3ie2 h VAL 201 N 0.48 1.22 0.19 3.16 2.07 -0.29 -0.54 116.25 122.54 3ie2 h VAL 201 Ca -0.08 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.72 3ie2 h VAL 201 Cb 1.52 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 3ie2 h VAL 201 CO 0.18 0.24 -0.18 0.03 0.02 0.00 0.00 177.57 177.86 3ie2 h ARG 202 N 0.36 -0.38 -0.11 1.57 3.08 -1.31 0.93 114.38 118.52 3ie2 h ARG 202 Ca 0.10 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.21 3ie2 h ARG 202 Cb 0.29 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 3ie2 h ARG 202 CO 0.00 -0.25 0.10 1.49 -1.07 0.00 0.00 179.97 180.23 3ie2 h GLU 203 N -0.39 0.00 0.22 0.04 4.81 -1.04 -0.69 114.58 117.52 3ie2 h GLU 203 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3ie2 h GLU 203 Cb 0.36 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3ie2 h GLU 203 CO -0.03 0.00 -0.10 0.35 -0.73 0.00 0.00 179.01 178.49 3ie2 h PHE 204 N 0.00 -0.27 -0.45 0.92 3.04 0.76 -2.46 116.94 118.48 3ie2 h PHE 204 Ca 0.05 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 3ie2 h PHE 204 Cb 0.24 0.09 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 3ie2 h PHE 204 CO 0.00 0.09 0.25 -0.07 -2.02 0.00 0.00 178.31 176.56 3ie2 h LEU 205 N -0.69 0.54 -0.17 0.59 3.38 -0.35 -1.90 115.31 116.72 3ie2 h LEU 205 Ca -0.03 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 57.94 3ie2 h LEU 205 Cb 0.48 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3ie2 h LEU 205 CO 0.05 0.43 -0.04 -0.08 0.09 0.00 0.00 178.44 178.89 3ie2 h GLU 206 N 0.62 0.01 -0.64 1.13 4.81 -1.06 0.72 114.58 120.16 3ie2 h GLU 206 Ca 0.16 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3ie2 h GLU 206 Cb 0.00 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 3ie2 h GLU 206 CO -0.03 0.00 0.41 0.82 -0.73 0.00 0.00 179.01 179.49 3ie2 h ILE 207 N 0.01 1.13 -0.41 2.32 2.04 -0.88 -2.43 117.51 119.29 3ie2 h ILE 207 Ca 0.08 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3ie2 h ILE 207 Cb 0.12 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 3ie2 h ILE 207 CO -0.17 0.15 0.11 -0.07 0.00 0.00 0.00 178.15 178.17 3ie2 h LEU 208 N 0.83 0.61 0.19 1.44 3.38 -0.85 -1.08 115.31 119.82 3ie2 h LEU 208 Ca 0.24 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3ie2 h LEU 208 Cb -0.05 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3ie2 h LEU 208 CO -0.07 0.67 -0.43 -0.08 0.09 0.00 0.00 178.44 178.62 3ie2 h GLU 209 N 0.52 -0.65 0.10 1.13 4.57 -0.60 0.21 114.58 119.86 3ie2 h GLU 209 Ca 0.13 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.37 3ie2 h GLU 209 Cb 0.29 0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 3ie2 h GLU 209 CO -0.00 -0.43 -0.24 -0.22 -1.18 0.00 0.00 179.01 176.93 3ie2 h LYS 210 N -0.67 -0.42 -0.08 1.92 3.64 -1.43 -1.97 116.57 117.55 3ie2 h LYS 210 Ca -0.02 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3ie2 h LYS 210 Cb 0.65 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 3ie2 h LYS 210 CO -0.18 -0.28 -0.02 1.15 -2.27 0.00 0.00 179.45 177.84 3ie2 h THR 211 N -0.44 0.91 -0.59 1.00 2.02 -1.02 -2.98 112.91 111.81 3ie2 h THR 211 Ca 0.03 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.16 3ie2 h THR 211 Cb 0.47 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.77 3ie2 h THR 211 CO -0.15 0.00 0.16 -0.07 0.37 0.00 0.00 175.52 175.83 3ie2 h LEU 212 N -0.00 0.85 -1.05 2.58 3.38 -0.48 0.30 115.31 120.89 3ie2 h LEU 212 Ca 0.04 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 3ie2 h LEU 212 Cb 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3ie2 h LEU 212 CO -0.09 0.82 -0.12 0.28 0.09 0.00 0.00 178.44 179.42 3ie2 h SER 213 N 0.88 0.52 -0.19 -0.43 0.02 -1.28 -1.09 113.55 111.98 3ie2 h SER 213 Ca 0.19 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3ie2 h SER 213 Cb 0.29 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3ie2 h SER 213 CO -0.00 0.67 0.00 0.00 -1.14 0.00 0.00 176.83 176.36 3ie2 n GLN 214 N -4.20 1.65 -2.24 3.45 10.64 -1.11 -4.86 117.38 120.72 3ie2 n GLN 214 Ca 0.01 -0.77 -0.15 0.00 -1.83 0.00 0.00 57.00 54.26 3ie2 n GLN 214 Cb 0.33 -1.32 -0.01 0.00 -0.86 0.00 0.00 30.24 28.37 3ie2 n GLN 214 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3ie2 n GLY 215 N 0.63 -0.16 3.96 2.61 0.00 -0.41 -4.98 105.19 106.84 3ie2 n GLY 215 Ca 0.07 -0.27 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 3ie2 n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie2 s GLY 216 N -2.36 1.75 -0.17 -0.02 0.00 0.11 -3.14 107.32 103.49 3ie2 s GLY 216 Ca 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 44.72 43.33 3ie2 s GLY 216 CO 0.00 -0.78 -0.02 0.54 0.00 0.00 0.00 173.10 172.84 3ie2 s LYS 217 N -5.37 3.69 -0.46 2.90 1.02 -1.26 -2.75 119.74 117.51 3ie2 s LYS 217 Ca 0.66 -0.50 -0.14 0.00 0.02 0.00 0.00 55.97 56.01 3ie2 s LYS 217 Cb -0.07 -2.98 0.07 0.00 -0.52 0.00 0.00 37.83 34.34 3ie2 s LYS 217 CO 0.47 0.20 0.36 0.08 -0.92 0.00 0.00 175.35 175.54 3ie2 s VAL 218 N 0.49 5.03 -0.19 3.17 1.01 -0.16 -1.09 120.40 128.66 3ie2 s VAL 218 Ca -0.02 -1.10 -0.22 0.00 0.00 0.00 0.00 61.98 60.63 3ie2 s VAL 218 Cb -0.14 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3ie2 s VAL 218 CO 0.02 -0.54 0.71 -0.76 0.00 0.00 0.00 175.10 174.53 3ie2 s LEU 219 N 1.60 4.15 -0.45 3.92 1.02 0.12 -1.09 118.68 127.96 3ie2 s LEU 219 Ca 0.04 0.95 0.03 0.00 0.02 0.00 0.00 54.13 55.17 3ie2 s LEU 219 Cb -0.24 -3.02 0.13 0.00 0.02 0.00 0.00 46.19 43.08 3ie2 s LEU 219 CO 0.06 -0.33 0.22 -0.63 0.02 0.00 0.00 176.35 175.68 3ie2 s ILE 220 N 2.08 1.87 0.28 -0.59 1.01 0.33 -0.13 121.20 126.06 3ie2 s ILE 220 Ca 0.32 -2.72 -0.30 0.00 0.00 0.00 0.00 60.65 57.95 3ie2 s ILE 220 Cb -0.16 -2.32 -0.10 0.00 0.01 0.00 0.00 42.46 39.88 3ie2 s ILE 220 CO 0.11 -0.81 1.45 -2.16 0.00 0.00 0.00 174.94 173.53 3ie2 s PRO 221 N 0.27 4.24 -0.01 2.79 0.04 -1.26 -2.70 135.00 138.36 3ie2 s PRO 221 Ca 0.16 2.37 -0.25 0.00 0.04 0.00 0.00 61.00 63.32 3ie2 s PRO 221 Cb -0.24 -3.07 0.06 0.00 0.04 0.00 0.00 34.50 31.28 3ie2 s PRO 221 CO -0.02 -0.44 0.56 -0.08 0.04 0.00 0.00 177.00 177.05 3ie2 s THR 222 N -0.29 0.02 0.56 1.26 -1.32 0.32 -4.38 115.64 111.81 3ie2 s THR 222 Ca 0.58 -0.16 -0.18 0.00 -1.21 0.00 0.00 61.69 60.71 3ie2 s THR 222 Cb -0.43 -0.91 -0.05 0.00 -1.51 0.00 0.00 72.50 69.60 3ie2 s THR 222 CO 0.48 -0.09 1.08 -0.36 -2.21 0.00 0.00 174.62 173.52 3ie2 s PHE 223 N -1.57 2.84 -0.97 9.09 2.99 -1.26 -3.41 117.98 125.68 3ie2 s PHE 223 Ca -0.10 1.55 0.25 0.00 0.00 0.00 0.00 56.93 58.62 3ie2 s PHE 223 Cb -0.01 -3.14 0.44 0.00 0.00 0.00 0.00 43.02 40.31 3ie2 s PHE 223 CO 0.05 -1.26 1.37 0.00 -0.00 0.00 0.00 175.22 175.38 3ie2 n ALA 224 N -1.55 3.58 -0.06 5.36 0.00 -1.26 -2.21 120.51 124.37 3ie2 n ALA 224 Ca 0.10 -0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.10 3ie2 n ALA 224 Cb 0.52 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 3ie2 n ALA 224 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ie2 h VAL 225 N 0.00 0.94 0.00 0.00 2.07 -1.94 -3.39 116.25 113.93 3ie2 h VAL 225 Ca 0.00 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.81 3ie2 h VAL 225 Cb 0.52 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3ie2 h VAL 225 CO 0.00 0.32 -0.36 1.21 0.02 0.00 0.00 177.57 178.76 3ie2 n GLU 226 N -4.68 1.91 -0.06 1.57 0.00 -1.26 -4.84 120.64 113.28 3ie2 n GLU 226 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.01 3ie2 n GLU 226 Cb 0.26 -0.68 -0.03 0.00 0.00 0.00 0.00 31.44 31.00 3ie2 n GLU 226 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3ie2 h ARG 227 N 0.00 0.28 -0.69 5.31 9.65 -1.88 -1.60 114.38 125.45 3ie2 h ARG 227 Ca 0.00 -0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.00 3ie2 h ARG 227 Cb 0.28 -0.06 -0.10 0.00 -1.39 0.00 0.00 29.97 28.70 3ie2 h ARG 227 CO 0.00 0.19 0.17 0.00 2.80 0.00 0.00 179.97 183.13 3ie2 h ALA 228 N 1.10 0.86 0.00 2.80 0.00 -1.73 -1.65 119.26 120.65 3ie2 h ALA 228 Ca 0.09 0.15 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 3ie2 h ALA 228 Cb -0.01 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3ie2 h ALA 228 CO -0.04 -0.31 -0.69 -0.56 0.00 0.00 0.00 179.25 177.65 3ie2 h GLN 229 N 0.28 0.00 -0.41 0.00 -0.00 -1.83 -2.95 115.11 110.20 3ie2 h GLN 229 Ca 0.38 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.93 3ie2 h GLN 229 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.06 3ie2 h GLN 229 CO -0.46 0.69 -0.15 1.49 -0.00 0.00 0.00 178.83 180.41 3ie2 h GLU 230 N 0.00 0.76 -0.64 0.06 4.81 -0.39 -0.44 114.58 118.74 3ie2 h GLU 230 Ca -0.01 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 58.91 3ie2 h GLU 230 Cb 1.53 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.83 3ie2 h GLU 230 CO 0.09 0.86 0.20 0.82 -0.73 0.00 0.00 179.01 180.25 3ie2 h ILE 231 N 0.68 1.24 0.00 2.32 1.08 -1.39 -1.50 117.51 119.93 3ie2 h ILE 231 Ca 0.11 -0.83 -0.01 0.00 -0.39 0.00 0.00 64.86 63.74 3ie2 h ILE 231 Cb 0.63 0.54 -0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3ie2 h ILE 231 CO 0.04 0.32 -0.06 -0.07 -0.69 0.00 0.00 178.15 177.70 3ie2 h LEU 232 N 0.94 0.00 -0.13 1.44 3.38 -1.17 -1.95 115.31 117.82 3ie2 h LEU 232 Ca 0.21 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.95 3ie2 h LEU 232 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3ie2 h LEU 232 CO -0.01 0.06 -0.99 0.22 0.09 0.00 0.00 178.44 177.81 3ie2 h TYR 233 N 0.00 0.62 -0.23 1.13 3.20 -0.07 -1.15 116.97 120.46 3ie2 h TYR 233 Ca -0.00 -0.35 -0.04 0.00 3.14 0.00 0.00 58.73 61.48 3ie2 h TYR 233 Cb 0.51 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3ie2 h TYR 233 CO 0.00 1.18 -0.03 0.28 -1.64 0.00 0.00 178.16 177.95 3ie2 h VAL 234 N 0.22 1.27 -0.67 1.81 2.07 -1.03 -1.79 116.25 118.14 3ie2 h VAL 234 Ca -0.09 -0.97 0.02 0.00 0.82 0.00 0.00 66.70 66.48 3ie2 h VAL 234 Cb 1.63 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.80 3ie2 h VAL 234 CO 0.17 0.30 0.42 -0.07 0.02 0.00 0.00 177.57 178.42 3ie2 h LEU 235 N 0.18 0.71 -1.68 2.57 3.38 -1.36 -1.02 115.31 118.10 3ie2 h LEU 235 Ca 0.06 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3ie2 h LEU 235 Cb 0.46 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3ie2 h LEU 235 CO 0.02 0.50 -0.01 0.22 0.09 0.00 0.00 178.44 179.25 3ie2 h TYR 236 N 0.84 0.18 -0.02 1.13 3.20 -0.93 0.32 116.97 121.70 3ie2 h TYR 236 Ca 0.26 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3ie2 h TYR 236 Cb -0.02 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.19 3ie2 h TYR 236 CO -0.04 0.21 -0.40 0.25 -1.64 0.00 0.00 178.16 176.53 3ie2 n THR 237 N -4.41 0.00 -0.44 1.81 -2.24 -0.70 -4.16 114.28 104.13 3ie2 n THR 237 Ca -0.01 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 3ie2 n THR 237 Cb 0.16 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3ie2 n THR 237 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ie2 n HIS 238 N 0.09 0.00 0.37 4.78 8.25 -0.47 -4.78 115.22 123.46 3ie2 n HIS 238 Ca 0.10 -0.19 0.06 0.00 -0.26 0.00 0.00 57.72 57.43 3ie2 n HIS 238 Cb 0.47 -0.02 0.25 0.00 1.12 0.00 0.00 29.99 31.81 3ie2 n HIS 238 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ie2 n GLY 239 N -0.19 -0.89 0.14 -1.41 0.00 0.11 -2.42 105.19 100.52 3ie2 n GLY 239 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.00 3ie2 n GLY 239 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3ie2 h HIS 240 N 0.00 0.00 -0.33 1.61 2.07 -1.86 -3.19 115.15 113.45 3ie2 h HIS 240 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3ie2 h HIS 240 Cb 0.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.17 3ie2 h HIS 240 CO 0.00 0.59 0.00 2.89 -3.07 0.00 0.00 177.93 178.34 3ie2 n ARG 241 N -3.44 3.04 -4.30 5.12 -4.01 -1.02 -4.97 116.66 107.07 3ie2 n ARG 241 Ca 0.00 -2.58 -0.33 0.00 -1.04 0.00 0.00 57.85 53.90 3ie2 n ARG 241 Cb 0.69 -1.66 -0.09 0.00 -3.04 0.00 0.00 32.46 28.36 3ie2 n ARG 241 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 3ie2 s LEU 242 N -2.13 3.54 0.37 2.89 1.43 -1.21 -5.02 118.68 118.56 3ie2 s LEU 242 Ca 0.37 0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 53.21 3ie2 s LEU 242 Cb 0.27 -1.99 -0.11 0.00 0.03 0.00 0.00 46.19 44.39 3ie2 s LEU 242 CO 0.13 0.30 1.49 -2.16 0.23 0.00 0.00 176.35 176.34 3ie2 s PRO 243 N -1.43 4.12 0.17 1.29 0.04 -1.26 -4.89 135.00 133.05 3ie2 s PRO 243 Ca 0.18 2.56 -0.33 0.00 0.04 0.00 0.00 61.00 63.45 3ie2 s PRO 243 Cb -0.11 -2.98 -0.14 0.00 0.04 0.00 0.00 34.50 31.31 3ie2 s PRO 243 CO 0.09 -0.53 1.58 0.54 0.04 0.00 0.00 177.00 178.72 3ie2 n ARG 244 N 0.66 2.22 -3.57 4.56 5.12 -1.26 -4.98 116.66 119.41 3ie2 n ARG 244 Ca 0.02 0.80 -0.12 0.00 -1.93 0.00 0.00 57.85 56.62 3ie2 n ARG 244 Cb 0.39 -2.57 -0.05 0.00 -1.16 0.00 0.00 32.46 29.07 3ie2 n ARG 244 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ie2 s ALA 245 N 0.87 -1.91 0.47 7.54 0.00 -1.26 -4.96 121.76 122.52 3ie2 s ALA 245 Ca 0.78 1.55 -0.22 0.00 0.00 0.00 0.00 51.96 54.07 3ie2 s ALA 245 Cb -0.66 -0.61 -0.08 0.00 0.00 0.00 0.00 23.12 21.78 3ie2 s ALA 245 CO 0.38 -0.32 1.11 -1.25 0.00 0.00 0.00 175.76 175.68 3ie2 s PRO 246 N -1.09 3.76 -0.30 0.00 0.04 -1.26 -4.80 135.00 131.36 3ie2 s PRO 246 Ca -0.03 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.57 3ie2 s PRO 246 Cb -0.00 -2.27 0.04 0.00 0.04 0.00 0.00 34.50 32.30 3ie2 s PRO 246 CO 0.03 -0.51 0.02 0.42 0.04 0.00 0.00 177.00 177.00 3ie2 s ILE 247 N -1.71 3.27 -0.31 0.56 1.01 0.66 -2.16 121.20 122.52 3ie2 s ILE 247 Ca 0.65 -1.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.02 3ie2 s ILE 247 Cb -0.23 -2.81 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 3ie2 s ILE 247 CO 0.28 -0.04 0.18 -0.31 0.00 0.00 0.00 174.94 175.05 3ie2 s TYR 248 N 1.33 3.19 -1.07 3.97 1.51 0.02 0.26 117.35 126.57 3ie2 s TYR 248 Ca -0.02 -0.26 -0.13 0.00 -1.01 0.00 0.00 57.07 55.64 3ie2 s TYR 248 Cb -0.19 -2.39 0.21 0.00 -0.11 0.00 0.00 41.96 39.49 3ie2 s TYR 248 CO -0.00 -0.34 1.16 -1.17 -1.11 0.00 0.00 175.55 174.08 3ie2 s LEU 249 N 1.69 5.82 -1.47 -1.29 2.96 0.17 -0.52 118.68 126.03 3ie2 s LEU 249 Ca 0.06 -3.03 -0.11 0.00 -0.22 0.00 0.00 54.13 50.84 3ie2 s LEU 249 Cb -0.17 -2.30 -0.06 0.00 0.50 0.00 0.00 46.19 44.16 3ie2 s LEU 249 CO 0.09 -0.59 2.68 -0.67 -1.32 0.00 0.00 176.35 176.53 3ie2 n ASP 250 N 4.41 7.15 -3.15 3.68 2.03 0.10 -2.44 116.55 128.33 3ie2 n ASP 250 Ca 0.26 -2.59 0.04 0.00 0.52 0.00 0.00 54.79 53.02 3ie2 n ASP 250 Cb 0.43 -1.50 -0.00 0.00 -0.72 0.00 0.00 41.12 39.33 3ie2 n ASP 250 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3ie2 s SER 251 N 2.62 -1.52 0.18 1.67 0.15 -1.26 -4.45 113.70 111.09 3ie2 s SER 251 Ca 0.61 0.38 -0.14 0.00 0.70 0.00 0.00 55.95 57.51 3ie2 s SER 251 Cb 0.16 2.05 0.17 0.00 -1.71 0.00 0.00 66.02 66.69 3ie2 s SER 251 CO -0.06 -0.28 1.70 -0.65 1.20 0.00 0.00 173.24 175.16 3ie2 h PRO 252 N 7.98 0.17 -0.27 5.44 0.11 -1.83 -0.97 132.00 142.63 3ie2 h PRO 252 Ca -0.08 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.08 3ie2 h PRO 252 Cb 1.18 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 3ie2 h PRO 252 CO 0.17 0.11 -0.39 1.98 -0.21 0.00 0.00 178.00 179.66 3ie2 h MET 253 N 0.18 -0.36 -0.90 1.05 4.05 -1.96 -0.16 114.93 116.82 3ie2 h MET 253 Ca 0.24 0.02 0.21 0.00 -0.28 0.00 0.00 59.70 59.90 3ie2 h MET 253 Cb 0.33 0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 31.15 3ie2 h MET 253 CO -0.35 -0.24 0.60 0.00 0.23 0.00 0.00 176.91 177.15 3ie2 h ALA 254 N 0.39 2.30 0.03 0.39 0.00 -1.40 -1.37 119.26 119.60 3ie2 h ALA 254 Ca 0.12 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3ie2 h ALA 254 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3ie2 h ALA 254 CO -0.48 -0.59 -0.01 0.78 0.00 0.00 0.00 179.25 178.95 3ie2 h GLY 255 N 0.34 -0.04 0.04 0.00 0.00 -0.27 -0.09 103.07 103.05 3ie2 h GLY 255 Ca 0.47 0.02 0.16 0.00 0.00 0.00 0.00 47.33 47.97 3ie2 h GLY 255 CO -0.16 -0.02 0.30 3.21 0.00 0.00 0.00 176.54 179.87 3ie2 h ARG 256 N -0.45 0.40 -0.36 4.80 3.08 -0.32 0.55 114.38 122.08 3ie2 h ARG 256 Ca -0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3ie2 h ARG 256 Cb 0.42 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3ie2 h ARG 256 CO 0.01 0.26 0.16 0.28 -1.07 0.00 0.00 179.97 179.61 3ie2 h VAL 257 N 0.41 1.18 -0.41 2.04 2.07 -1.26 -2.42 116.25 117.87 3ie2 h VAL 257 Ca 0.44 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.43 3ie2 h VAL 257 Cb 0.72 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3ie2 h VAL 257 CO -0.45 0.20 0.26 0.25 0.02 0.00 0.00 177.57 177.85 3ie2 h LEU 258 N 0.45 0.44 -1.15 2.57 5.85 0.15 -1.99 115.31 121.63 3ie2 h LEU 258 Ca 0.12 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.98 3ie2 h LEU 258 Cb 0.16 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 3ie2 h LEU 258 CO -0.01 0.32 0.60 0.28 -0.34 0.00 0.00 178.44 179.29 3ie2 h SER 259 N 0.53 0.77 1.21 1.25 0.02 0.07 -0.80 113.55 116.58 3ie2 h SER 259 Ca 0.15 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3ie2 h SER 259 Cb -0.04 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3ie2 h SER 259 CO -0.05 0.38 -0.22 0.25 -1.14 0.00 0.00 176.83 176.05 3ie2 h LEU 260 N 0.80 0.00 -0.41 5.07 5.85 -0.87 -3.35 115.31 122.41 3ie2 h LEU 260 Ca 0.49 0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.28 3ie2 h LEU 260 Cb 0.68 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 3ie2 h LEU 260 CO -0.25 0.22 -0.01 1.88 -0.34 0.00 0.00 178.44 179.94 3ie2 h TYR 261 N 0.00 -0.05 -0.89 1.25 0.99 -0.54 -1.72 116.97 116.02 3ie2 h TYR 261 Ca -0.00 0.03 0.25 0.00 2.00 0.00 0.00 58.73 61.00 3ie2 h TYR 261 Cb 0.88 0.08 -0.04 0.00 1.00 0.00 0.00 36.73 38.65 3ie2 h TYR 261 CO 0.00 -0.09 0.63 -1.35 -0.00 0.00 0.00 178.16 177.34 3ie2 h PRO 262 N 0.09 0.08 0.00 4.88 0.11 -1.72 0.91 132.00 136.35 3ie2 h PRO 262 Ca 0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3ie2 h PRO 262 Cb 0.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3ie2 h PRO 262 CO -0.35 0.05 0.00 0.54 -0.21 0.00 0.00 178.00 178.04 3ie2 n ARG 263 N -4.33 0.38 -0.13 1.05 1.74 -0.65 -3.37 116.66 111.36 3ie2 n ARG 263 Ca 0.19 0.04 0.04 0.00 -0.77 0.00 0.00 57.85 57.35 3ie2 n ARG 263 Cb 0.90 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.95 3ie2 n ARG 263 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ie2 n LEU 264 N -1.27 2.66 -0.28 0.55 4.32 0.32 -4.83 117.00 118.47 3ie2 n LEU 264 Ca 0.12 -2.04 0.03 0.00 -0.02 0.00 0.00 56.01 54.10 3ie2 n LEU 264 Cb 0.20 -0.17 0.08 0.00 -1.62 0.00 0.00 43.42 41.91 3ie2 n LEU 264 CO 0.20 0.66 0.48 0.52 -1.22 0.00 0.00 177.39 178.03 3ie2 n VAL 265 N 0.15 -0.34 -0.28 4.08 0.31 -1.17 -0.27 118.33 120.81 3ie2 n VAL 265 Ca 0.08 1.74 0.21 0.00 -0.01 0.00 0.00 64.34 66.36 3ie2 n VAL 265 Cb 0.39 -2.38 0.51 0.00 -0.91 0.00 0.00 33.84 31.44 3ie2 n VAL 265 CO 0.00 0.00 0.00 0.08 -1.32 0.00 0.00 176.83 175.59 3ie2 h ARG 266 N 0.00 0.40 0.00 5.55 0.11 -1.91 -1.27 114.38 117.26 3ie2 h ARG 266 Ca 0.33 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.39 3ie2 h ARG 266 Cb 0.52 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.51 3ie2 h ARG 266 CO -0.77 0.26 0.00 0.66 0.10 0.00 0.00 179.97 180.22 3ie2 n TYR 267 N -4.56 0.68 -2.55 4.08 4.01 0.63 -4.85 117.16 114.61 3ie2 n TYR 267 Ca 0.22 0.25 -0.24 0.00 -0.16 0.00 0.00 57.90 57.97 3ie2 n TYR 267 Cb 0.78 -0.91 0.12 0.00 -0.31 0.00 0.00 39.34 39.01 3ie2 n TYR 267 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3ie2 s PHE 268 N -3.23 1.50 1.02 -0.72 0.08 -0.48 -4.49 117.98 111.66 3ie2 s PHE 268 Ca 0.06 -0.27 -0.12 0.00 0.12 0.00 0.00 56.93 56.72 3ie2 s PHE 268 Cb 0.10 -3.06 0.20 0.00 -0.57 0.00 0.00 43.02 39.69 3ie2 s PHE 268 CO 0.41 -1.81 1.07 -1.54 -0.10 0.00 0.00 175.22 173.25 3ie2 s SER 269 N -4.76 2.24 0.36 1.36 1.04 -0.34 -4.55 113.70 109.04 3ie2 s SER 269 Ca 0.67 1.54 0.07 0.00 0.48 0.00 0.00 55.95 58.72 3ie2 s SER 269 Cb -0.05 -2.22 0.70 0.00 0.10 0.00 0.00 66.02 64.55 3ie2 s SER 269 CO 0.45 -3.42 1.89 -0.33 0.98 0.00 0.00 173.24 172.81 3ie2 h GLU 270 N -2.09 0.36 0.27 4.02 4.39 -1.91 0.41 114.58 120.03 3ie2 h GLU 270 Ca -0.54 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.06 3ie2 h GLU 270 Cb 1.31 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3ie2 h GLU 270 CO 0.52 0.46 -0.13 1.49 -1.16 0.00 0.00 179.01 180.19 3ie2 h GLU 271 N 0.35 -0.35 -0.20 2.33 4.81 -1.91 0.14 114.58 119.75 3ie2 h GLU 271 Ca 0.07 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3ie2 h GLU 271 Cb 0.36 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3ie2 h GLU 271 CO 0.02 -0.05 -0.06 0.28 -0.73 0.00 0.00 179.01 178.46 3ie2 h VAL 272 N -0.64 1.16 0.00 0.32 2.07 -1.73 -1.54 116.25 115.90 3ie2 h VAL 272 Ca -0.04 -0.68 -0.12 0.00 0.82 0.00 0.00 66.70 66.69 3ie2 h VAL 272 Cb 0.45 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3ie2 h VAL 272 CO 0.06 0.22 -0.57 1.56 0.02 0.00 0.00 177.57 178.86 3ie2 h GLN 273 N 0.30 0.00 -0.57 1.57 4.20 -0.01 -2.85 115.11 117.75 3ie2 h GLN 273 Ca 0.06 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.69 3ie2 h GLN 273 Cb 0.30 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3ie2 h GLN 273 CO 0.01 0.57 0.03 0.00 -0.67 0.00 0.00 178.83 178.78 3ie2 h ALA 274 N 1.43 0.97 0.24 3.87 0.00 0.32 -2.44 119.26 123.65 3ie2 h ALA 274 Ca -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3ie2 h ALA 274 Cb 1.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3ie2 h ALA 274 CO 0.07 0.63 -0.12 0.45 0.00 0.00 0.00 179.25 180.29 3ie2 h HIS 275 N 0.90 -0.30 -0.34 0.00 3.86 -1.37 -2.45 115.15 115.45 3ie2 h HIS 275 Ca 0.17 -0.01 0.10 0.00 -1.16 0.00 0.00 60.37 59.47 3ie2 h HIS 275 Cb 0.48 0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 3ie2 h HIS 275 CO 0.03 -0.02 0.36 0.74 0.86 0.00 0.00 177.93 179.90 3ie2 h PHE 276 N -0.57 0.00 -0.12 2.45 0.04 -1.43 -0.37 116.94 116.94 3ie2 h PHE 276 Ca -0.03 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.52 3ie2 h PHE 276 Cb 0.42 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.57 3ie2 h PHE 276 CO 0.01 0.00 -0.78 1.25 -0.60 0.00 0.00 178.31 178.19 3ie2 h LEU 277 N 0.00 0.80 -0.14 1.54 5.85 -0.96 -2.91 115.31 119.49 3ie2 h LEU 277 Ca 0.16 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3ie2 h LEU 277 Cb 0.88 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3ie2 h LEU 277 CO -0.00 1.32 0.00 0.00 -0.34 0.00 0.00 178.44 179.41 3ie2 n GLN 278 N -3.90 0.54 -1.01 1.25 1.13 -0.16 -4.76 117.38 110.46 3ie2 n GLN 278 Ca -0.07 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.99 3ie2 n GLN 278 Cb 0.74 -1.04 -0.00 0.00 0.11 0.00 0.00 30.24 30.05 3ie2 n GLN 278 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ie2 n GLY 279 N 0.06 0.47 3.64 1.08 0.00 -1.10 -5.04 105.19 104.31 3ie2 n GLY 279 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 3ie2 n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie2 s LYS 280 N -0.61 2.23 -0.39 1.61 1.02 -1.15 -5.03 119.74 117.42 3ie2 s LYS 280 Ca 0.00 -1.49 -0.01 0.00 0.02 0.00 0.00 55.97 54.49 3ie2 s LYS 280 Cb 0.00 -2.11 0.11 0.00 -0.52 0.00 0.00 37.83 35.31 3ie2 s LYS 280 CO 0.00 0.32 0.16 1.21 -0.92 0.00 0.00 175.35 176.12 3ie2 s ASN 281 N -3.68 5.13 0.00 2.83 3.84 -1.26 -3.31 114.94 118.49 3ie2 s ASN 281 Ca 0.32 -2.06 0.04 0.00 0.21 0.00 0.00 52.86 51.38 3ie2 s ASN 281 Cb -0.05 -1.78 0.25 0.00 -0.55 0.00 0.00 41.25 39.12 3ie2 s ASN 281 CO 0.20 -0.50 0.64 -0.81 -2.79 0.00 0.00 177.10 173.84 3ie2 n PRO 282 N 4.50 0.35 -0.31 0.43 -0.04 -1.26 -1.81 135.00 136.86 3ie2 n PRO 282 Ca -0.01 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.53 3ie2 n PRO 282 Cb 0.42 -1.19 0.23 0.00 -0.04 0.00 0.00 33.50 32.92 3ie2 n PRO 282 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ie2 n PHE 283 N -0.69 0.77 -3.55 0.54 3.72 -1.26 -4.17 117.46 112.82 3ie2 n PHE 283 Ca 0.03 -0.56 -0.28 0.00 -0.05 0.00 0.00 57.45 56.59 3ie2 n PHE 283 Cb 0.01 -0.08 -0.11 0.00 -0.94 0.00 0.00 39.48 38.36 3ie2 n PHE 283 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3ie2 s ARG 284 N -1.32 1.11 0.93 -1.08 0.52 -0.75 -4.81 118.95 113.55 3ie2 s ARG 284 Ca 0.35 -2.05 -0.12 0.00 -0.52 0.00 0.00 55.73 53.39 3ie2 s ARG 284 Cb 0.20 -1.86 0.15 0.00 0.52 0.00 0.00 34.95 33.96 3ie2 s ARG 284 CO 0.20 -1.28 1.09 -1.25 0.02 0.00 0.00 175.30 174.08 3ie2 s PRO 285 N 0.18 0.97 0.36 3.54 0.04 -1.26 -4.96 135.00 133.88 3ie2 s PRO 285 Ca 0.25 0.78 -0.28 0.00 0.04 0.00 0.00 61.00 61.79 3ie2 s PRO 285 Cb -0.10 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 3ie2 s PRO 285 CO -0.10 -2.43 1.31 0.00 0.04 0.00 0.00 177.00 175.82 3ie2 s ALA 286 N -2.91 3.40 -0.41 8.56 0.00 -1.26 -3.09 121.76 126.05 3ie2 s ALA 286 Ca 0.64 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.85 3ie2 s ALA 286 Cb -0.19 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3ie2 s ALA 286 CO 0.57 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 176.03 3ie2 n GLY 287 N 0.73 0.68 3.76 0.00 0.00 -1.26 -4.64 105.19 104.47 3ie2 n GLY 287 Ca 0.02 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 3ie2 n GLY 287 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ie2 s LEU 288 N -0.88 4.48 -0.08 0.99 2.96 -1.18 -0.24 118.68 124.73 3ie2 s LEU 288 Ca 0.00 2.40 -0.04 0.00 -0.22 0.00 0.00 54.13 56.28 3ie2 s LEU 288 Cb 0.00 -3.67 0.04 0.00 0.50 0.00 0.00 46.19 43.05 3ie2 s LEU 288 CO 0.00 -0.31 0.18 -0.70 -1.32 0.00 0.00 176.35 174.20 3ie2 s GLU 289 N -1.64 0.13 -0.30 1.98 2.56 0.14 -4.88 118.70 116.70 3ie2 s GLU 289 Ca 0.47 0.41 -0.09 0.00 0.00 0.00 0.00 54.97 55.76 3ie2 s GLU 289 Cb -0.34 -0.15 -0.02 0.00 2.00 0.00 0.00 34.13 35.63 3ie2 s GLU 289 CO 0.44 -0.16 0.14 0.08 -0.56 0.00 0.00 175.26 175.21 3ie2 s VAL 290 N 1.14 4.65 -0.19 3.70 1.01 -1.26 0.41 120.40 129.87 3ie2 s VAL 290 Ca -0.09 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.37 3ie2 s VAL 290 Cb -0.11 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.94 3ie2 s VAL 290 CO -0.06 0.14 0.68 -0.69 0.00 0.00 0.00 175.10 175.17 3ie2 s VAL 291 N 1.63 4.98 -0.18 2.92 1.01 -1.02 -4.96 120.40 124.79 3ie2 s VAL 291 Ca 0.05 1.31 -0.22 0.00 0.00 0.00 0.00 61.98 63.12 3ie2 s VAL 291 Cb -0.17 -4.00 -0.22 0.00 0.00 0.00 0.00 36.38 32.00 3ie2 s VAL 291 CO 0.06 0.09 0.35 -0.33 0.00 0.00 0.00 175.10 175.28 3ie2 h GLU 292 N 7.43 0.04 -6.24 2.72 4.39 -1.96 -3.36 114.58 117.60 3ie2 h GLU 292 Ca -0.31 -0.07 -0.57 0.00 0.34 0.00 0.00 59.36 58.76 3ie2 h GLU 292 Cb 1.14 0.02 -0.10 0.00 -0.10 0.00 0.00 28.75 29.71 3ie2 h GLU 292 CO 0.79 1.03 -0.65 -1.01 -1.16 0.00 0.00 179.01 178.01 3ie2 s HIS 293 N -2.36 2.69 0.31 4.33 3.76 -1.26 -4.74 115.29 118.03 3ie2 s HIS 293 Ca -0.26 -0.22 0.06 0.00 -0.15 0.00 0.00 55.06 54.49 3ie2 s HIS 293 Cb 0.04 -1.21 0.71 0.00 1.11 0.00 0.00 32.58 33.23 3ie2 s HIS 293 CO 0.64 0.61 1.82 1.15 -0.85 0.00 0.00 174.74 178.10 3ie2 h THR 294 N 2.01 0.81 -0.08 1.30 2.02 -1.98 -2.24 112.91 114.75 3ie2 h THR 294 Ca -0.45 -0.28 0.04 0.00 0.77 0.00 0.00 66.41 66.49 3ie2 h THR 294 Cb 1.24 -0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 3ie2 h THR 294 CO 0.60 0.15 -0.18 -0.08 0.37 0.00 0.00 175.52 176.37 3ie2 h GLU 295 N 0.81 -0.25 -0.28 6.66 4.57 -1.99 0.24 114.58 124.34 3ie2 h GLU 295 Ca 0.51 0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.59 3ie2 h GLU 295 Cb 0.73 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 3ie2 h GLU 295 CO -0.29 -0.17 -0.31 0.00 -1.18 0.00 0.00 179.01 177.06 3ie2 h ALA 296 N 0.72 0.92 -0.70 2.92 0.00 -1.94 -2.24 119.26 118.95 3ie2 h ALA 296 Ca 0.08 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 3ie2 h ALA 296 Cb 0.37 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3ie2 h ALA 296 CO -0.23 0.62 0.29 1.03 0.00 0.00 0.00 179.25 180.95 3ie2 h SER 297 N 0.51 0.96 1.14 0.00 0.87 -0.77 -2.50 113.55 113.76 3ie2 h SER 297 Ca 0.06 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.36 3ie2 h SER 297 Cb 0.79 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3ie2 h SER 297 CO 0.07 0.86 -0.44 0.11 -0.53 0.00 0.00 176.83 176.90 3ie2 h LYS 298 N 0.99 0.00 -0.20 2.24 1.57 -0.39 -2.88 116.57 117.90 3ie2 h LYS 298 Ca 0.23 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 3ie2 h LYS 298 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3ie2 h LYS 298 CO -0.02 0.44 -0.18 0.00 -0.57 0.00 0.00 179.45 179.12 3ie2 h ALA 299 N 1.56 1.32 0.00 3.86 0.00 -1.06 -1.52 119.26 123.41 3ie2 h ALA 299 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3ie2 h ALA 299 Cb 1.13 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ie2 h ALA 299 CO 0.06 0.46 -0.06 -0.07 0.00 0.00 0.00 179.25 179.63 3ie2 h LEU 300 N 0.32 0.00 -0.42 0.00 3.38 -1.22 -2.22 115.31 115.15 3ie2 h LEU 300 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3ie2 h LEU 300 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3ie2 h LEU 300 CO 0.03 0.06 0.24 0.78 0.09 0.00 0.00 178.44 179.64 3ie2 h ASN 301 N 0.00 0.52 -0.55 -0.43 2.35 -1.35 -2.91 115.58 113.21 3ie2 h ASN 301 Ca -0.00 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 3ie2 h ASN 301 Cb 0.21 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3ie2 h ASN 301 CO 0.01 0.45 0.00 0.54 -1.65 0.00 0.00 177.43 176.78 3ie2 n ARG 302 N -4.73 2.56 -3.31 0.81 1.74 -0.88 -4.83 116.66 108.02 3ie2 n ARG 302 Ca 0.01 -2.10 -0.39 0.00 -0.77 0.00 0.00 57.85 54.59 3ie2 n ARG 302 Cb 0.07 -1.53 -0.07 0.00 -1.02 0.00 0.00 32.46 29.91 3ie2 n ARG 302 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie2 s ALA 303 N -1.39 3.55 0.53 7.54 0.00 -0.93 -5.04 121.76 126.01 3ie2 s ALA 303 Ca 0.39 -0.50 -0.22 0.00 0.00 0.00 0.00 51.96 51.63 3ie2 s ALA 303 Cb 0.22 -2.74 -0.06 0.00 0.00 0.00 0.00 23.12 20.53 3ie2 s ALA 303 CO 0.24 -0.42 1.17 -0.35 0.00 0.00 0.00 175.76 176.40 3ie2 n PRO 304 N 4.76 1.41 -0.32 0.00 -0.04 -1.26 -4.99 135.00 134.56 3ie2 n PRO 304 Ca -0.06 0.52 -0.08 0.00 -0.04 0.00 0.00 63.50 63.84 3ie2 n PRO 304 Cb 0.51 -2.34 0.06 0.00 -0.04 0.00 0.00 33.50 31.69 3ie2 n PRO 304 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ie2 n GLY 305 N 1.00 -2.29 3.83 0.55 0.00 -1.23 -4.83 105.19 102.22 3ie2 n GLY 305 Ca 0.11 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 3ie2 n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ie2 s PRO 306 N -3.68 4.17 -0.11 1.61 0.04 -1.19 -4.84 135.00 131.00 3ie2 s PRO 306 Ca 0.19 0.87 -0.30 0.00 0.04 0.00 0.00 61.00 61.80 3ie2 s PRO 306 Cb -0.02 -2.53 0.11 0.00 0.04 0.00 0.00 34.50 32.10 3ie2 s PRO 306 CO 0.14 0.19 0.91 0.00 0.04 0.00 0.00 177.00 178.29 3ie2 s MET 307 N -2.68 0.73 -0.16 4.56 0.23 -1.11 -4.22 119.30 116.66 3ie2 s MET 307 Ca 0.52 0.10 -0.04 0.00 -1.03 0.00 0.00 55.69 55.25 3ie2 s MET 307 Cb -0.12 0.34 -0.03 0.00 -1.53 0.00 0.00 34.83 33.49 3ie2 s MET 307 CO 0.18 -0.24 -0.04 0.08 -2.03 0.00 0.00 175.02 172.97 3ie2 s VAL 308 N -1.44 3.81 -0.03 5.16 1.01 -0.92 -0.99 120.40 127.00 3ie2 s VAL 308 Ca -0.03 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3ie2 s VAL 308 Cb -0.00 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.69 3ie2 s VAL 308 CO 0.02 0.49 -0.21 -0.69 0.00 0.00 0.00 175.10 174.70 3ie2 s VAL 309 N 0.46 1.73 -0.05 2.92 1.01 -0.25 -0.80 120.40 125.43 3ie2 s VAL 309 Ca -0.04 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3ie2 s VAL 309 Cb -0.14 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.78 3ie2 s VAL 309 CO 0.03 0.49 -0.17 -0.76 0.00 0.00 0.00 175.10 174.69 3ie2 s LEU 310 N -0.28 1.89 0.14 3.92 1.02 0.32 -0.51 118.68 125.19 3ie2 s LEU 310 Ca 0.02 -0.37 -0.24 0.00 0.02 0.00 0.00 54.13 53.56 3ie2 s LEU 310 Cb -0.11 -1.00 0.07 0.00 0.02 0.00 0.00 46.19 45.18 3ie2 s LEU 310 CO 0.01 0.14 0.75 0.00 0.02 0.00 0.00 176.35 177.27 3ie2 s ALA 311 N 0.16 -1.59 0.56 4.21 0.00 -1.10 0.02 121.76 124.02 3ie2 s ALA 311 Ca -0.07 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.34 3ie2 s ALA 311 Cb -0.13 0.72 0.04 0.00 0.00 0.00 0.00 23.12 23.75 3ie2 s ALA 311 CO 0.03 -0.85 0.34 0.20 0.00 0.00 0.00 175.76 175.49 3ie2 s GLY 312 N -2.75 2.53 0.62 0.00 0.00 -1.22 0.12 107.32 106.62 3ie2 s GLY 312 Ca 0.06 -0.95 -0.18 0.00 0.00 0.00 0.00 44.72 43.65 3ie2 s GLY 312 CO -0.06 -2.01 1.21 -0.45 0.00 0.00 0.00 173.10 171.80 3ie2 s SER 313 N -4.24 4.95 0.42 1.64 0.15 0.32 -2.27 113.70 114.67 3ie2 s SER 313 Ca 0.27 2.40 0.28 0.00 0.70 0.00 0.00 55.95 59.59 3ie2 s SER 313 Cb -0.02 -2.60 0.94 0.00 -1.71 0.00 0.00 66.02 62.63 3ie2 s SER 313 CO 0.17 -1.75 1.80 1.23 1.20 0.00 0.00 173.24 175.89 3ie2 h GLY 314 N 0.61 0.00 -1.61 9.45 0.00 -1.81 -2.64 103.07 107.08 3ie2 h GLY 314 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3ie2 h GLY 314 CO 0.54 0.00 -0.11 1.03 0.00 0.00 0.00 176.54 178.00 3ie2 n MET 315 N -2.81 2.02 -1.68 4.80 2.81 -1.26 -4.63 117.12 116.37 3ie2 n MET 315 Ca 0.02 -1.65 -0.13 0.00 -1.81 0.00 0.00 57.70 54.14 3ie2 n MET 315 Cb 0.37 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.37 3ie2 n MET 315 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ie2 n LEU 316 N 0.95 -1.16 0.00 4.03 4.77 -0.99 -4.58 117.00 120.02 3ie2 n LEU 316 Ca 0.13 0.20 0.10 0.00 -0.03 0.00 0.00 56.01 56.41 3ie2 n LEU 316 Cb 0.55 -1.97 0.52 0.00 -2.33 0.00 0.00 43.42 40.19 3ie2 n LEU 316 CO 0.18 -0.48 0.82 0.00 -1.33 0.00 0.00 177.39 176.58 3ie2 n ALA 317 N 0.24 2.08 0.00 -1.18 0.00 -1.26 -4.86 120.51 115.53 3ie2 n ALA 317 Ca -0.14 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3ie2 n ALA 317 Cb 0.49 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3ie2 n ALA 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie2 n GLY 318 N 0.46 -1.58 0.00 0.00 0.00 -1.26 -5.02 105.19 97.79 3ie2 n GLY 318 Ca 0.10 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3ie2 n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie2 n GLY 319 N -0.88 0.65 0.29 -0.02 0.00 -1.26 0.12 105.19 104.08 3ie2 n GLY 319 Ca 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.85 3ie2 n GLY 319 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ie2 h ARG 320 N 0.00 0.61 -0.97 1.61 -0.00 -1.85 -2.78 114.38 111.00 3ie2 h ARG 320 Ca 0.00 -0.11 0.25 0.00 -0.50 0.00 0.00 59.98 59.62 3ie2 h ARG 320 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 29.97 29.81 3ie2 h ARG 320 CO 0.00 0.56 0.66 0.97 0.00 0.00 0.00 179.97 182.16 3ie2 h ILE 321 N 0.59 0.58 -0.43 2.04 6.09 -1.72 0.99 117.51 125.65 3ie2 h ILE 321 Ca 0.14 -0.09 -0.01 0.00 -1.37 0.00 0.00 64.86 63.53 3ie2 h ILE 321 Cb 0.24 0.30 -0.02 0.00 0.47 0.00 0.00 36.82 37.81 3ie2 h ILE 321 CO -0.00 0.05 0.22 -0.07 -3.07 0.00 0.00 178.15 175.28 3ie2 h LEU 322 N 0.26 0.55 -1.37 2.19 3.38 -1.76 -0.11 115.31 118.45 3ie2 h LEU 322 Ca 0.50 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 3ie2 h LEU 322 Cb 1.51 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 3ie2 h LEU 322 CO -0.15 0.50 0.23 0.45 0.09 0.00 0.00 178.44 179.56 3ie2 h HIS 323 N 0.55 0.65 -0.47 1.13 3.86 -0.97 0.39 115.15 120.30 3ie2 h HIS 323 Ca 0.15 -0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.21 3ie2 h HIS 323 Cb 0.08 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 3ie2 h HIS 323 CO -0.02 0.48 -0.24 0.45 0.86 0.00 0.00 177.93 179.46 3ie2 h HIS 324 N 0.67 1.15 -0.27 2.45 3.86 -0.74 -3.00 115.15 119.26 3ie2 h HIS 324 Ca 0.17 -0.29 -0.11 0.00 -1.16 0.00 0.00 60.37 58.98 3ie2 h HIS 324 Cb 0.07 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 3ie2 h HIS 324 CO 0.00 1.12 -0.26 -0.07 0.86 0.00 0.00 177.93 179.58 3ie2 h LEU 325 N 0.84 0.70 -2.10 2.43 4.07 -0.17 -0.12 115.31 120.97 3ie2 h LEU 325 Ca 0.10 -0.47 0.09 0.00 0.08 0.00 0.00 57.88 57.68 3ie2 h LEU 325 Cb 0.83 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 3ie2 h LEU 325 CO 0.07 1.02 0.29 0.50 -1.08 0.00 0.00 178.44 179.24 3ie2 h LYS 326 N 0.38 0.00 -0.01 1.13 3.64 -0.21 -2.03 116.57 119.47 3ie2 h LYS 326 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3ie2 h LYS 326 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3ie2 h LYS 326 CO 0.07 0.00 -0.08 0.72 -2.27 0.00 0.00 179.45 177.89 3ie2 n HIS 327 N -4.00 0.00 0.07 1.91 8.25 -1.14 -4.68 115.22 115.63 3ie2 n HIS 327 Ca 0.05 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.52 3ie2 n HIS 327 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 3ie2 n HIS 327 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ie2 n GLY 328 N 0.58 -0.85 0.14 -1.41 0.00 -0.07 -4.73 105.19 98.85 3ie2 n GLY 328 Ca 0.03 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.05 3ie2 n GLY 328 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3ie2 h LEU 329 N 0.26 0.00 -0.30 0.99 5.85 -1.60 -3.34 115.31 117.18 3ie2 h LEU 329 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3ie2 h LEU 329 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 3ie2 h LEU 329 CO 0.00 0.37 -0.06 -1.54 -0.34 0.00 0.00 178.44 176.87 3ie2 n SER 330 N -3.06 0.52 -4.47 1.25 3.41 -1.14 0.52 113.62 110.65 3ie2 n SER 330 Ca -0.01 -0.83 -0.41 0.00 -0.26 0.00 0.00 58.87 57.37 3ie2 n SER 330 Cb 0.70 -0.05 -0.11 0.00 -0.26 0.00 0.00 64.21 64.49 3ie2 n SER 330 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ie2 s ASP 331 N -2.27 5.93 0.63 4.04 3.68 -1.25 -4.51 116.67 122.92 3ie2 s ASP 331 Ca 0.35 -0.64 0.31 0.00 2.13 0.00 0.00 52.55 54.70 3ie2 s ASP 331 Cb 0.21 -2.10 1.70 0.00 -1.45 0.00 0.00 42.92 41.28 3ie2 s ASP 331 CO 0.42 -0.30 2.02 1.55 0.13 0.00 0.00 175.17 178.98 3ie2 h PRO 332 N 8.49 0.00 0.00 4.34 0.13 -1.84 -1.74 132.00 141.39 3ie2 h PRO 332 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3ie2 h PRO 332 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3ie2 h PRO 332 CO 0.66 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 3ie2 h ARG 333 N 0.00 0.00 -6.86 0.86 3.08 -1.93 -3.37 114.38 106.16 3ie2 h ARG 333 Ca 0.07 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.63 3ie2 h ARG 333 Cb 0.64 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.72 3ie2 h ARG 333 CO -0.00 0.00 0.05 -0.80 -1.07 0.00 0.00 179.97 178.15 3ie2 s ASN 334 N -4.65 6.25 -0.03 7.04 0.01 -0.66 -4.36 114.94 118.54 3ie2 s ASN 334 Ca 0.07 0.83 0.02 0.00 -0.71 0.00 0.00 52.86 53.06 3ie2 s ASN 334 Cb 0.10 -2.19 0.01 0.00 0.41 0.00 0.00 41.25 39.59 3ie2 s ASN 334 CO 0.52 -0.54 -0.06 0.00 -1.51 0.00 0.00 177.10 175.50 3ie2 s ALA 335 N -2.67 0.72 -0.19 0.60 0.00 -0.25 -1.50 121.76 118.47 3ie2 s ALA 335 Ca 0.46 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 52.15 3ie2 s ALA 335 Cb -0.10 -0.36 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 3ie2 s ALA 335 CO 0.43 0.06 0.15 -1.17 0.00 0.00 0.00 175.76 175.23 3ie2 s LEU 336 N 0.55 4.22 -0.24 0.00 0.20 0.25 0.14 118.68 123.81 3ie2 s LEU 336 Ca -0.08 0.28 -0.00 0.00 0.69 0.00 0.00 54.13 55.01 3ie2 s LEU 336 Cb -0.11 -2.13 0.07 0.00 -0.43 0.00 0.00 46.19 43.59 3ie2 s LEU 336 CO 0.00 0.18 -0.00 -0.69 -0.29 0.00 0.00 176.35 175.55 3ie2 s VAL 337 N 0.33 1.17 -0.17 1.68 1.01 0.82 -1.14 120.40 124.10 3ie2 s VAL 337 Ca 0.09 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.69 3ie2 s VAL 337 Cb -0.11 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 3ie2 s VAL 337 CO -0.01 -0.24 1.01 -0.36 0.00 0.00 0.00 175.10 175.51 3ie2 s PHE 338 N 1.54 3.43 -0.89 5.22 0.08 -0.65 -4.13 117.98 122.58 3ie2 s PHE 338 Ca -0.02 1.52 0.09 0.00 0.12 0.00 0.00 56.93 58.64 3ie2 s PHE 338 Cb -0.18 -3.22 0.02 0.00 -0.57 0.00 0.00 43.02 39.08 3ie2 s PHE 338 CO -0.09 -0.34 0.65 1.33 -0.10 0.00 0.00 175.22 176.66 3ie2 n VAL 339 N 4.91 0.00 -4.37 -0.44 0.24 -1.26 -1.24 118.33 116.17 3ie2 n VAL 339 Ca 0.10 -0.44 -0.19 0.00 -2.04 0.00 0.00 64.34 61.76 3ie2 n VAL 339 Cb 0.47 1.13 -0.10 0.00 -1.47 0.00 0.00 33.84 33.87 3ie2 n VAL 339 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ie2 s GLY 340 N -1.04 1.55 0.40 7.63 0.00 -1.26 -4.49 107.32 110.11 3ie2 s GLY 340 Ca 0.08 -1.74 -0.27 0.00 0.00 0.00 0.00 44.72 42.79 3ie2 s GLY 340 CO 0.17 -1.77 1.42 -0.47 0.00 0.00 0.00 173.10 172.45 3ie2 s TYR 341 N -3.02 2.63 -0.25 1.90 6.14 -1.26 -5.00 117.35 118.49 3ie2 s TYR 341 Ca 0.25 1.26 -0.02 0.00 0.64 0.00 0.00 57.07 59.20 3ie2 s TYR 341 Cb 0.01 -3.90 0.02 0.00 0.42 0.00 0.00 41.96 38.51 3ie2 s TYR 341 CO 0.08 -2.71 -0.06 -0.65 0.64 0.00 0.00 175.55 172.85 3ie2 s GLN 342 N -2.19 2.88 0.70 4.97 -1.52 -1.26 -4.82 119.66 118.42 3ie2 s GLN 342 Ca 0.55 -0.95 -0.16 0.00 -1.95 0.00 0.00 55.36 52.85 3ie2 s GLN 342 Cb -0.44 -2.99 0.01 0.00 -0.22 0.00 0.00 33.01 29.38 3ie2 s GLN 342 CO 0.58 -0.38 1.18 -0.35 -0.25 0.00 0.00 175.29 176.06 3ie2 n PRO 343 N 4.68 0.73 -2.11 2.91 -0.04 -1.26 -4.76 135.00 135.15 3ie2 n PRO 343 Ca -0.17 0.31 -0.32 0.00 -0.04 0.00 0.00 63.50 63.28 3ie2 n PRO 343 Cb 0.47 -2.42 -0.00 0.00 -0.04 0.00 0.00 33.50 31.51 3ie2 n PRO 343 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3ie2 s GLN 344 N -3.51 3.54 -0.09 0.54 2.00 -1.26 -3.43 119.66 117.46 3ie2 s GLN 344 Ca 0.78 1.04 0.00 0.00 -2.00 0.00 0.00 55.36 55.18 3ie2 s GLN 344 Cb -0.35 -2.07 0.00 0.00 0.80 0.00 0.00 33.01 31.39 3ie2 s GLN 344 CO 0.45 -0.62 0.00 0.41 -0.50 0.00 0.00 175.29 175.04 3ie2 n GLY 345 N -1.48 0.48 3.74 2.59 0.00 -1.26 -5.02 105.19 104.25 3ie2 n GLY 345 Ca 0.08 -0.28 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 3ie2 n GLY 345 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie2 s GLY 346 N -2.28 2.32 0.40 -0.02 0.00 -1.22 -4.99 107.32 101.53 3ie2 s GLY 346 Ca 0.00 -2.10 0.12 0.00 0.00 0.00 0.00 44.72 42.74 3ie2 s GLY 346 CO 0.00 -1.90 1.93 -2.00 0.00 0.00 0.00 173.10 171.13 3ie2 h LEU 347 N 1.41 0.50 0.40 0.66 5.85 -1.89 0.67 115.31 122.92 3ie2 h LEU 347 Ca -0.43 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 3ie2 h LEU 347 Cb 1.25 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3ie2 h LEU 347 CO 0.69 0.29 -0.32 1.23 -0.34 0.00 0.00 178.44 179.99 3ie2 h GLY 348 N 0.55 -1.01 0.60 3.75 0.00 -1.87 0.46 103.07 105.55 3ie2 h GLY 348 Ca 0.35 0.44 0.09 0.00 0.00 0.00 0.00 47.33 48.21 3ie2 h GLY 348 CO -0.12 -0.33 0.54 0.00 0.00 0.00 0.00 176.54 176.63 3ie2 h ALA 349 N -1.32 1.27 -0.57 3.60 0.00 -1.66 -0.76 119.26 119.82 3ie2 h ALA 349 Ca -0.05 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.94 3ie2 h ALA 349 Cb 0.58 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 3ie2 h ALA 349 CO 0.01 0.22 0.23 1.49 0.00 0.00 0.00 179.25 181.20 3ie2 h GLU 350 N 0.93 0.42 -0.42 0.00 4.81 -0.48 -0.35 114.58 119.49 3ie2 h GLU 350 Ca 0.41 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.49 3ie2 h GLU 350 Cb 0.30 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3ie2 h GLU 350 CO -0.22 0.28 -0.24 0.82 -0.73 0.00 0.00 179.01 178.92 3ie2 h ILE 351 N 0.44 1.27 0.00 2.32 2.04 0.99 -2.30 117.51 122.26 3ie2 h ILE 351 Ca 0.28 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.75 3ie2 h ILE 351 Cb 0.29 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 3ie2 h ILE 351 CO -0.25 0.47 0.00 0.40 0.00 0.00 0.00 178.15 178.76 3ie2 h ILE 352 N 0.75 0.00 -0.44 -0.67 2.04 -0.33 -0.90 117.51 117.96 3ie2 h ILE 352 Ca 0.10 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 3ie2 h ILE 352 Cb 0.79 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3ie2 h ILE 352 CO 0.07 0.00 0.05 0.00 0.00 0.00 0.00 178.15 178.27 3ie2 h ALA 353 N 2.01 1.27 -1.37 1.87 0.00 -0.49 -3.47 119.26 119.08 3ie2 h ALA 353 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 3ie2 h ALA 353 Cb 0.32 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3ie2 h ALA 353 CO 0.00 0.50 -0.04 -2.13 0.00 0.00 0.00 179.25 177.58 3ie2 n ARG 354 N -4.27 -0.41 -0.61 0.00 3.00 -0.34 -5.06 116.66 108.97 3ie2 n ARG 354 Ca 0.03 0.04 -0.30 0.00 -0.00 0.00 0.00 57.85 57.62 3ie2 n ARG 354 Cb 0.25 -2.68 0.27 0.00 0.00 0.00 0.00 32.46 30.30 3ie2 n ARG 354 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3ie2 s PRO 355 N -4.95 -2.06 0.38 -0.14 0.04 -1.26 -4.88 135.00 122.12 3ie2 s PRO 355 Ca 0.03 0.22 0.15 0.00 0.04 0.00 0.00 61.00 61.43 3ie2 s PRO 355 Cb -0.01 -1.47 0.75 0.00 0.04 0.00 0.00 34.50 33.81 3ie2 s PRO 355 CO 0.04 -4.33 1.82 -1.00 0.04 0.00 0.00 177.00 173.57 3ie2 h PRO 356 N -3.03 0.00 -3.38 0.56 0.13 -1.97 -3.44 132.00 120.88 3ie2 h PRO 356 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 3ie2 h PRO 356 Cb 1.33 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.35 3ie2 h PRO 356 CO 0.35 0.37 -0.03 0.00 -0.23 0.00 0.00 178.00 178.46 3ie2 s ALA 357 N -4.05 -0.86 0.05 -0.56 0.00 -1.26 -2.49 121.76 112.58 3ie2 s ALA 357 Ca -0.02 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 51.75 3ie2 s ALA 357 Cb 0.14 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 3ie2 s ALA 357 CO 0.71 -0.74 -0.08 0.08 0.00 0.00 0.00 175.76 175.74 3ie2 s VAL 358 N -3.86 0.56 -0.15 0.00 1.01 -0.21 -4.89 120.40 112.86 3ie2 s VAL 358 Ca 0.08 -1.23 -0.20 0.00 0.00 0.00 0.00 61.98 60.63 3ie2 s VAL 358 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3ie2 s VAL 358 CO -0.06 -0.47 0.55 -0.60 0.00 0.00 0.00 175.10 174.52 3ie2 s ARG 359 N -1.98 4.29 -0.10 2.72 6.06 -1.26 0.10 118.95 128.77 3ie2 s ARG 359 Ca -0.06 0.54 -0.06 0.00 -2.50 0.00 0.00 55.73 53.65 3ie2 s ARG 359 Cb -0.07 -3.50 0.04 0.00 0.06 0.00 0.00 34.95 31.48 3ie2 s ARG 359 CO -0.01 -0.02 0.25 0.42 -2.50 0.00 0.00 175.30 173.44 3ie2 s ILE 360 N 1.19 -0.03 -1.47 4.11 1.01 -0.86 -4.90 121.20 120.26 3ie2 s ILE 360 Ca 0.28 0.12 -0.03 0.00 0.00 0.00 0.00 60.65 61.02 3ie2 s ILE 360 Cb -0.16 -0.38 0.00 0.00 0.01 0.00 0.00 42.46 41.93 3ie2 s ILE 360 CO 0.11 0.05 0.21 0.18 0.00 0.00 0.00 174.94 175.49 3ie2 n LEU 361 N 4.03 -1.39 -3.47 2.97 4.77 -1.26 -2.22 117.00 120.43 3ie2 n LEU 361 Ca -0.23 -1.18 -0.18 0.00 -0.03 0.00 0.00 56.01 54.38 3ie2 n LEU 361 Cb 0.54 -1.83 0.02 0.00 -2.33 0.00 0.00 43.42 39.82 3ie2 n LEU 361 CO 0.15 0.48 0.03 0.61 -1.33 0.00 0.00 177.39 177.33 3ie2 n GLY 362 N -2.33 -1.16 3.19 -0.72 0.00 -1.26 -5.01 105.19 97.90 3ie2 n GLY 362 Ca -0.30 0.51 0.04 0.00 0.00 0.00 0.00 46.02 46.26 3ie2 n GLY 362 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ie2 s GLU 363 N -4.66 0.05 -0.29 1.61 2.56 -0.94 -5.11 118.70 111.92 3ie2 s GLU 363 Ca 0.22 0.13 -0.29 0.00 0.00 0.00 0.00 54.97 55.03 3ie2 s GLU 363 Cb -0.07 0.08 0.00 0.00 2.00 0.00 0.00 34.13 36.14 3ie2 s GLU 363 CO 0.82 -0.02 1.28 -1.21 -0.56 0.00 0.00 175.26 175.57 3ie2 s GLU 364 N 2.20 3.96 -0.13 4.30 8.01 -1.26 -2.02 118.70 133.77 3ie2 s GLU 364 Ca -0.01 1.28 -0.02 0.00 0.01 0.00 0.00 54.97 56.23 3ie2 s GLU 364 Cb -0.02 -3.85 -0.03 0.00 -4.31 0.00 0.00 34.13 25.92 3ie2 s GLU 364 CO -0.15 -1.06 -0.05 0.14 0.01 0.00 0.00 175.26 174.15 3ie2 s VAL 365 N 4.22 3.80 0.31 2.63 -7.23 0.11 -4.86 120.40 119.38 3ie2 s VAL 365 Ca 0.55 -0.41 -0.30 0.00 -1.81 0.00 0.00 61.98 60.02 3ie2 s VAL 365 Cb -0.17 -2.63 -0.12 0.00 0.56 0.00 0.00 36.38 34.02 3ie2 s VAL 365 CO 0.21 0.53 1.56 -2.65 -0.31 0.00 0.00 175.10 174.44 3ie2 n PRO 366 N 3.16 2.64 -3.39 4.82 -0.02 -1.26 -1.05 135.00 139.90 3ie2 n PRO 366 Ca -0.18 0.93 -0.45 0.00 -2.02 0.00 0.00 63.50 61.79 3ie2 n PRO 366 Cb 0.53 -2.69 -0.04 0.00 -0.02 0.00 0.00 33.50 31.27 3ie2 n PRO 366 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ie2 s LEU 367 N -0.72 6.39 -0.12 2.45 2.96 -1.04 -2.91 118.68 125.70 3ie2 s LEU 367 Ca 0.62 -2.45 0.04 0.00 -0.22 0.00 0.00 54.13 52.12 3ie2 s LEU 367 Cb -0.50 -2.16 -0.10 0.00 0.50 0.00 0.00 46.19 43.93 3ie2 s LEU 367 CO 0.52 -0.62 -0.05 0.54 -1.32 0.00 0.00 176.35 175.41 3ie2 n ARG 368 N 4.27 1.18 -1.52 1.98 1.74 0.38 -4.90 116.66 119.79 3ie2 n ARG 368 Ca 0.05 0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.75 3ie2 n ARG 368 Cb 0.44 -1.26 -0.00 0.00 -1.02 0.00 0.00 32.46 30.62 3ie2 n ARG 368 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie2 n ALA 369 N -2.67 -0.93 -1.80 7.54 0.00 0.19 -4.34 120.51 118.50 3ie2 n ALA 369 Ca -0.20 0.26 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 3ie2 n ALA 369 Cb 0.78 -1.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.31 3ie2 n ALA 369 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ie2 s SER 370 N -0.81 6.40 0.08 0.00 1.04 -0.56 -4.84 113.70 115.01 3ie2 s SER 370 Ca 0.62 1.92 0.08 0.00 0.48 0.00 0.00 55.95 59.04 3ie2 s SER 370 Cb -0.65 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 62.88 3ie2 s SER 370 CO 0.58 -0.74 -0.17 -0.69 0.98 0.00 0.00 173.24 173.20 3ie2 s VAL 371 N -1.98 2.90 0.05 5.02 1.01 -1.26 -0.58 120.40 125.55 3ie2 s VAL 371 Ca 0.67 -1.32 -0.02 0.00 0.00 0.00 0.00 61.98 61.30 3ie2 s VAL 371 Cb -0.16 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3ie2 s VAL 371 CO 0.20 0.21 0.01 -1.00 0.00 0.00 0.00 175.10 174.52 3ie2 s HIS 372 N -1.05 0.40 -0.26 5.22 3.76 -0.29 -4.94 115.29 118.13 3ie2 s HIS 372 Ca 0.17 -0.88 -0.04 0.00 -0.15 0.00 0.00 55.06 54.16 3ie2 s HIS 372 Cb -0.11 -0.30 0.09 0.00 1.11 0.00 0.00 32.58 33.38 3ie2 s HIS 372 CO 0.08 -0.37 0.12 0.99 -0.85 0.00 0.00 174.74 174.71 3ie2 s THR 373 N -3.45 -0.05 -0.77 1.30 2.01 -1.26 -1.63 115.64 111.78 3ie2 s THR 373 Ca 0.02 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.26 3ie2 s THR 373 Cb 0.04 -0.91 0.20 0.00 0.01 0.00 0.00 72.50 71.85 3ie2 s THR 373 CO -0.08 -0.63 0.68 -0.76 -0.69 0.00 0.00 174.62 173.14 3ie2 s LEU 374 N 2.10 6.38 0.22 4.42 1.43 -0.37 -4.86 118.68 128.00 3ie2 s LEU 374 Ca 0.07 -2.71 0.25 0.00 -1.03 0.00 0.00 54.13 50.72 3ie2 s LEU 374 Cb -0.16 -2.12 0.88 0.00 0.03 0.00 0.00 46.19 44.81 3ie2 s LEU 374 CO -0.31 -0.53 1.76 0.61 0.23 0.00 0.00 176.35 178.11 3ie2 n GLY 375 N 3.88 -1.56 0.04 -3.19 0.00 -1.26 -3.08 105.19 100.02 3ie2 n GLY 375 Ca 0.12 0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.18 3ie2 n GLY 375 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie2 n GLY 376 N 0.88 -0.63 0.99 -0.02 0.00 -1.26 -1.48 105.19 103.69 3ie2 n GLY 376 Ca 0.04 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.16 3ie2 n GLY 376 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ie2 n PHE 377 N -1.69 0.83 -2.30 1.61 3.01 -1.18 -4.62 117.46 113.13 3ie2 n PHE 377 Ca -0.00 -0.33 -0.41 0.00 1.01 0.00 0.00 57.45 57.72 3ie2 n PHE 377 Cb 0.02 -0.16 -0.03 0.00 -0.01 0.00 0.00 39.48 39.30 3ie2 n PHE 377 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3ie2 s SER 378 N -0.72 7.01 0.00 4.37 0.15 -0.55 -4.88 113.70 119.09 3ie2 s SER 378 Ca 0.28 2.41 0.21 0.00 0.70 0.00 0.00 55.95 59.55 3ie2 s SER 378 Cb 0.18 -2.63 0.77 0.00 -1.71 0.00 0.00 66.02 62.64 3ie2 s SER 378 CO 0.14 -0.38 1.56 0.61 1.20 0.00 0.00 173.24 176.36 3ie2 n GLY 379 N 1.51 0.21 3.77 9.45 0.00 -1.26 -4.54 105.19 114.32 3ie2 n GLY 379 Ca 0.02 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 3ie2 n GLY 379 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ie2 s HIS 380 N -1.81 3.28 0.16 1.61 3.76 -1.26 -3.37 115.29 117.67 3ie2 s HIS 380 Ca 0.32 0.23 -0.31 0.00 -0.15 0.00 0.00 55.06 55.15 3ie2 s HIS 380 Cb 0.17 -1.77 -0.09 0.00 1.11 0.00 0.00 32.58 32.00 3ie2 s HIS 380 CO 0.26 0.55 1.50 0.00 -0.85 0.00 0.00 174.74 176.20 3ie2 s ALA 381 N -1.11 3.71 0.82 -1.40 0.00 -0.21 -4.17 121.76 119.39 3ie2 s ALA 381 Ca 0.20 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 3ie2 s ALA 381 Cb -0.12 -3.59 0.08 0.00 0.00 0.00 0.00 23.12 19.50 3ie2 s ALA 381 CO 0.10 -0.72 1.15 0.20 0.00 0.00 0.00 175.76 176.49 3ie2 s GLY 382 N 1.06 1.60 0.30 0.00 0.00 -1.26 -4.54 107.32 104.47 3ie2 s GLY 382 Ca 0.67 -0.52 0.06 0.00 0.00 0.00 0.00 44.72 44.94 3ie2 s GLY 382 CO 0.32 -0.04 1.69 -1.61 0.00 0.00 0.00 173.10 173.46 3ie2 h GLN 383 N -1.11 0.36 -0.68 2.90 4.15 -1.19 0.59 115.11 120.13 3ie2 h GLN 383 Ca -0.47 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 58.85 3ie2 h GLN 383 Cb 1.31 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.89 3ie2 h GLN 383 CO 0.64 0.24 0.12 0.38 -1.93 0.00 0.00 178.83 178.28 3ie2 h ASP 384 N 0.37 1.06 -0.37 -0.69 -0.00 -1.88 -0.98 116.42 113.94 3ie2 h ASP 384 Ca 0.60 -0.25 -0.16 0.00 -0.00 0.00 0.00 57.03 57.23 3ie2 h ASP 384 Cb 1.21 -0.28 -0.01 0.00 -0.00 0.00 0.00 39.33 40.25 3ie2 h ASP 384 CO -0.56 1.05 -0.37 -0.33 -0.00 0.00 0.00 179.24 179.03 3ie2 h GLU 385 N 1.04 0.92 0.16 4.15 5.08 -0.88 -2.24 114.58 122.81 3ie2 h GLU 385 Ca 0.21 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3ie2 h GLU 385 Cb 0.43 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3ie2 h GLU 385 CO 0.01 1.13 -0.24 -0.07 -1.00 0.00 0.00 179.01 178.84 3ie2 h LEU 386 N 0.75 -0.67 -1.68 1.33 4.07 0.27 0.03 115.31 119.41 3ie2 h LEU 386 Ca 0.06 0.07 0.15 0.00 0.08 0.00 0.00 57.88 58.25 3ie2 h LEU 386 Cb 0.96 0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.90 3ie2 h LEU 386 CO 0.09 -0.34 0.48 -0.07 -1.08 0.00 0.00 178.44 177.52 3ie2 h LEU 387 N -0.47 0.30 -0.01 1.67 3.38 -1.12 -1.19 115.31 117.87 3ie2 h LEU 387 Ca 0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3ie2 h LEU 387 Cb 0.47 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ie2 h LEU 387 CO -0.11 0.15 -0.02 0.44 0.09 0.00 0.00 178.44 179.00 3ie2 h ASP 388 N 0.32 0.03 -0.27 -0.43 3.45 -0.62 -2.27 116.42 116.63 3ie2 h ASP 388 Ca 0.34 -0.58 0.04 0.00 0.43 0.00 0.00 57.03 57.26 3ie2 h ASP 388 Cb 0.89 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.61 3ie2 h ASP 388 CO -0.09 0.61 0.03 -0.25 -1.57 0.00 0.00 179.24 177.97 3ie2 h TRP 389 N -0.54 0.04 0.00 4.55 7.01 -0.48 -1.99 115.95 124.54 3ie2 h TRP 389 Ca 0.00 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.02 3ie2 h TRP 389 Cb 0.60 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.68 3ie2 h TRP 389 CO 0.13 -0.01 0.00 1.28 -2.79 0.00 0.00 178.44 177.05 3ie2 n LEU 390 N -5.12 0.00 -4.72 0.65 4.32 -0.50 -4.60 117.00 107.04 3ie2 n LEU 390 Ca -0.01 0.39 -0.43 0.00 -0.02 0.00 0.00 56.01 55.94 3ie2 n LEU 390 Cb 0.13 -0.39 -0.02 0.00 -1.62 0.00 0.00 43.42 41.52 3ie2 n LEU 390 CO 0.25 -0.16 1.19 1.67 -1.22 0.00 0.00 177.39 179.13 3ie2 n GLN 391 N -1.39 2.49 0.00 3.23 0.00 -0.75 -2.42 117.38 118.54 3ie2 n GLN 391 Ca 0.06 0.89 0.00 0.00 -0.00 0.00 0.00 57.00 57.95 3ie2 n GLN 391 Cb 0.17 -2.64 0.00 0.00 0.00 0.00 0.00 30.24 27.77 3ie2 n GLN 391 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ie2 n GLY 392 N 2.44 3.05 3.67 1.69 0.00 -1.26 -5.01 105.19 109.77 3ie2 n GLY 392 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3ie2 n GLY 392 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie2 s GLU 393 N -0.29 4.24 0.22 1.61 0.41 -1.02 -4.93 118.70 118.95 3ie2 s GLU 393 Ca 0.00 1.97 -0.07 0.00 -0.41 0.00 0.00 54.97 56.46 3ie2 s GLU 393 Cb 0.00 -3.75 0.19 0.00 -1.78 0.00 0.00 34.13 28.79 3ie2 s GLU 393 CO 0.00 -0.70 1.83 -1.00 -0.49 0.00 0.00 175.26 174.91 3ie2 h PRO 394 N 8.47 1.23 -4.29 0.39 0.13 -1.90 -3.44 132.00 132.59 3ie2 h PRO 394 Ca -0.36 -0.16 -0.42 0.00 -0.87 0.00 0.00 66.00 64.19 3ie2 h PRO 394 Cb 1.16 -0.23 -0.32 0.00 0.13 0.00 0.00 31.00 31.74 3ie2 h PRO 394 CO 0.94 0.92 -0.78 1.03 -0.23 0.00 0.00 178.00 179.88 3ie2 s ARG 395 N -5.76 0.91 -0.04 0.86 0.52 -1.26 -1.29 118.95 112.88 3ie2 s ARG 395 Ca -0.13 -0.21 0.02 0.00 -0.52 0.00 0.00 55.73 54.89 3ie2 s ARG 395 Cb 0.16 -0.87 0.02 0.00 0.52 0.00 0.00 34.95 34.78 3ie2 s ARG 395 CO 0.83 0.01 -0.07 0.08 0.02 0.00 0.00 175.30 176.18 3ie2 s VAL 396 N 0.55 0.67 -0.15 3.52 1.01 -0.27 -1.96 120.40 123.77 3ie2 s VAL 396 Ca -0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 61.98 61.66 3ie2 s VAL 396 Cb -0.12 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.60 3ie2 s VAL 396 CO 0.01 0.24 -0.12 -0.69 0.00 0.00 0.00 175.10 174.54 3ie2 s VAL 397 N 0.68 3.05 -0.11 2.92 1.01 0.29 -2.28 120.40 125.96 3ie2 s VAL 397 Ca -0.10 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.09 3ie2 s VAL 397 Cb -0.13 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 3ie2 s VAL 397 CO 0.01 0.51 0.32 -0.76 0.00 0.00 0.00 175.10 175.18 3ie2 s LEU 398 N 0.55 4.32 0.29 3.92 1.02 0.12 -1.11 118.68 127.79 3ie2 s LEU 398 Ca -0.08 0.64 0.03 0.00 0.02 0.00 0.00 54.13 54.74 3ie2 s LEU 398 Cb -0.16 -2.42 -0.04 0.00 0.02 0.00 0.00 46.19 43.59 3ie2 s LEU 398 CO 0.04 0.17 0.16 0.68 0.02 0.00 0.00 176.35 177.42 3ie2 s VAL 399 N -0.04 0.29 -0.13 -1.59 -7.23 0.59 -1.03 120.40 111.26 3ie2 s VAL 399 Ca 0.19 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.29 3ie2 s VAL 399 Cb -0.14 -2.52 0.03 0.00 0.56 0.00 0.00 36.38 34.31 3ie2 s VAL 399 CO 0.07 0.00 0.15 0.52 -0.31 0.00 0.00 175.10 175.52 3ie2 n VAL 400 N -0.54 -8.70 0.00 1.32 0.31 0.03 -1.92 118.33 108.84 3ie2 n VAL 400 Ca 0.01 1.76 0.00 0.00 -0.01 0.00 0.00 64.34 66.11 3ie2 n VAL 400 Cb 0.65 -5.17 0.00 0.00 -0.91 0.00 0.00 33.84 28.41 3ie2 n VAL 400 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ie2 n GLY 401 N 1.89 3.13 3.83 2.92 0.00 0.17 -0.76 105.19 116.36 3ie2 n GLY 401 Ca -0.25 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 3ie2 n GLY 401 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie2 s GLU 402 N -2.07 4.16 0.14 1.61 2.02 -1.26 -0.88 118.70 122.42 3ie2 s GLU 402 Ca 0.00 0.77 -0.19 0.00 0.02 0.00 0.00 54.97 55.58 3ie2 s GLU 402 Cb 0.00 -2.79 0.04 0.00 0.10 0.00 0.00 34.13 31.48 3ie2 s GLU 402 CO 0.00 0.35 1.14 -1.91 0.02 0.00 0.00 175.26 174.87 3ie2 n GLU 403 N 0.49 -0.26 -0.02 1.61 2.13 -1.26 -1.03 120.64 122.30 3ie2 n GLU 403 Ca -0.01 1.13 -0.12 0.00 0.66 0.00 0.00 57.16 58.82 3ie2 n GLU 403 Cb 0.52 -1.66 -0.06 0.00 0.27 0.00 0.00 31.44 30.51 3ie2 n GLU 403 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3ie2 h GLU 404 N 0.00 -0.43 -0.11 5.31 3.07 -1.96 0.22 114.58 120.68 3ie2 h GLU 404 Ca 0.17 0.03 0.04 0.00 -0.50 0.00 0.00 59.36 59.11 3ie2 h GLU 404 Cb 0.36 0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.32 3ie2 h GLU 404 CO -0.71 -0.29 -0.23 0.87 -1.40 0.00 0.00 179.01 177.25 3ie2 h LYS 405 N -0.45 -0.29 -0.97 2.33 1.79 -1.44 0.17 116.57 117.71 3ie2 h LYS 405 Ca 0.09 0.02 0.09 0.00 -2.18 0.00 0.00 60.65 58.67 3ie2 h LYS 405 Cb 0.61 0.06 -0.07 0.00 -1.58 0.00 0.00 32.23 31.25 3ie2 h LYS 405 CO -0.42 -0.19 0.62 -0.07 -1.08 0.00 0.00 179.45 178.30 3ie2 h LEU 406 N -0.30 0.95 -0.54 2.94 4.07 -0.83 -0.09 115.31 121.51 3ie2 h LEU 406 Ca 0.09 0.03 -0.10 0.00 0.08 0.00 0.00 57.88 57.98 3ie2 h LEU 406 Cb 0.44 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 3ie2 h LEU 406 CO -0.28 0.57 -0.05 -0.07 -1.08 0.00 0.00 178.44 177.52 3ie2 h LEU 407 N 1.06 0.98 -0.53 1.67 -0.00 0.38 0.36 115.31 119.23 3ie2 h LEU 407 Ca 0.45 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 3ie2 h LEU 407 Cb 0.30 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 3ie2 h LEU 407 CO -0.21 1.08 0.33 0.00 -0.00 0.00 0.00 178.44 179.64 3ie2 h ALA 408 N 0.94 0.68 -0.41 1.53 0.00 0.44 0.32 119.26 122.76 3ie2 h ALA 408 Ca 0.15 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3ie2 h ALA 408 Cb 0.60 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3ie2 h ALA 408 CO 0.04 0.14 0.02 1.25 0.00 0.00 0.00 179.25 180.70 3ie2 h LEU 409 N 0.72 0.68 0.01 0.00 6.46 -0.85 -2.81 115.31 119.52 3ie2 h LEU 409 Ca 0.19 -0.29 0.03 0.00 -0.12 0.00 0.00 57.88 57.69 3ie2 h LEU 409 Cb -0.04 -0.18 -0.04 0.00 -0.73 0.00 0.00 40.66 39.66 3ie2 h LEU 409 CO -0.04 0.81 -0.22 1.23 -0.62 0.00 0.00 178.44 179.59 3ie2 h GLY 410 N 0.54 -0.33 0.08 3.75 0.00 0.52 -0.56 103.07 107.07 3ie2 h GLY 410 Ca 0.12 0.27 0.11 0.00 0.00 0.00 0.00 47.33 47.82 3ie2 h GLY 410 CO 0.02 -0.19 0.01 1.70 0.00 0.00 0.00 176.54 178.07 3ie2 h LYS 411 N -0.36 0.12 -0.64 4.80 3.64 -0.34 0.40 116.57 124.19 3ie2 h LYS 411 Ca 0.06 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3ie2 h LYS 411 Cb 0.43 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3ie2 h LYS 411 CO -0.20 0.08 0.33 -0.07 -2.27 0.00 0.00 179.45 177.32 3ie2 h LEU 412 N 0.12 0.82 -0.10 5.20 3.38 -1.19 -0.71 115.31 122.83 3ie2 h LEU 412 Ca 0.28 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3ie2 h LEU 412 Cb 0.44 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 3ie2 h LEU 412 CO -0.46 0.70 0.05 -0.07 0.09 0.00 0.00 178.44 178.74 3ie2 h LEU 413 N 0.87 0.14 0.41 1.67 3.38 0.50 -2.26 115.31 120.03 3ie2 h LEU 413 Ca 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ie2 h LEU 413 Cb 0.08 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3ie2 h LEU 413 CO -0.03 0.24 -0.44 0.00 0.09 0.00 0.00 178.44 178.30 3ie2 h ALA 414 N 0.91 -1.09 -0.03 1.53 0.00 -0.08 0.15 119.26 120.65 3ie2 h ALA 414 Ca 0.04 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ie2 h ALA 414 Cb 0.14 0.68 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3ie2 h ALA 414 CO -0.00 -1.12 0.41 -0.07 0.00 0.00 0.00 179.25 178.46 3ie2 h LEU 415 N -0.85 0.00 -0.01 0.00 3.38 -1.12 1.94 115.31 118.64 3ie2 h LEU 415 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ie2 h LEU 415 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3ie2 h LEU 415 CO -0.07 0.00 0.00 -0.09 0.09 0.00 0.00 178.44 178.37 3ie2 h ARG 416 N 0.00 0.00 0.00 1.13 2.43 -0.37 -3.47 114.38 114.11 3ie2 h ARG 416 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3ie2 h ARG 416 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3ie2 h ARG 416 CO -0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 3ie2 n GLY 417 N 1.25 0.82 3.90 2.80 0.00 0.66 -5.09 105.19 109.52 3ie2 n GLY 417 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3ie2 n GLY 417 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ie2 s GLN 418 N -0.69 3.63 0.13 1.61 -0.21 -0.79 -4.99 119.66 118.35 3ie2 s GLN 418 Ca 0.00 0.26 -0.11 0.00 0.02 0.00 0.00 55.36 55.53 3ie2 s GLN 418 Cb 0.00 -2.41 -0.06 0.00 1.00 0.00 0.00 33.01 31.54 3ie2 s GLN 418 CO 0.00 -0.11 0.48 -1.21 -2.12 0.00 0.00 175.29 172.34 3ie2 s GLU 419 N -4.34 3.85 0.15 2.91 2.02 -0.41 -4.05 118.70 118.83 3ie2 s GLU 419 Ca 0.48 0.31 -0.23 0.00 0.02 0.00 0.00 54.97 55.55 3ie2 s GLU 419 Cb -0.10 -2.91 0.07 0.00 0.10 0.00 0.00 34.13 31.28 3ie2 s GLU 419 CO 0.39 0.49 0.60 0.54 0.02 0.00 0.00 175.26 177.30 3ie2 s VAL 420 N -1.50 0.00 -0.06 2.63 0.11 -1.26 -1.11 120.40 119.22 3ie2 s VAL 420 Ca 0.37 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.13 3ie2 s VAL 420 Cb -0.14 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.81 3ie2 s VAL 420 CO 0.19 0.00 0.83 -0.94 -3.33 0.00 0.00 175.10 171.85 3ie2 s SER 421 N -2.71 -0.48 -0.17 3.54 1.04 -0.97 -4.99 113.70 108.97 3ie2 s SER 421 Ca 0.01 0.38 -0.18 0.00 0.48 0.00 0.00 55.95 56.63 3ie2 s SER 421 Cb -0.01 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 3ie2 s SER 421 CO -0.12 -0.56 0.50 -0.76 0.98 0.00 0.00 173.24 173.28 3ie2 s LEU 422 N -1.60 4.19 0.73 2.42 1.02 -1.26 0.13 118.68 124.31 3ie2 s LEU 422 Ca -0.03 0.72 -0.16 0.00 0.02 0.00 0.00 54.13 54.68 3ie2 s LEU 422 Cb -0.00 -2.69 0.02 0.00 0.02 0.00 0.00 46.19 43.54 3ie2 s LEU 422 CO 0.00 -0.11 1.09 0.00 0.02 0.00 0.00 176.35 177.36 3ie2 n ALA 423 N 4.36 0.08 -2.48 4.21 0.00 -0.20 -4.86 120.51 121.62 3ie2 n ALA 423 Ca -0.06 -0.19 -0.25 0.00 0.00 0.00 0.00 53.44 52.93 3ie2 n ALA 423 Cb 0.51 -2.19 -0.14 0.00 0.00 0.00 0.00 19.45 17.62 3ie2 n ALA 423 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ie2 s ARG 424 N -3.56 1.41 0.11 0.00 0.52 -1.26 -4.42 118.95 111.74 3ie2 s ARG 424 Ca 0.75 -0.90 -0.31 0.00 -0.52 0.00 0.00 55.73 54.76 3ie2 s ARG 424 Cb -0.34 -1.49 -0.10 0.00 0.52 0.00 0.00 34.95 33.55 3ie2 s ARG 424 CO 0.48 0.38 1.78 0.12 0.02 0.00 0.00 175.30 178.09 3ie2 s PHE 425 N -0.75 2.20 0.00 -0.53 5.36 -1.26 -3.00 117.98 120.00 3ie2 s PHE 425 Ca 0.07 0.06 0.00 0.00 -0.96 0.00 0.00 56.93 56.10 3ie2 s PHE 425 Cb -0.09 -4.12 0.00 0.00 -0.34 0.00 0.00 43.02 38.47 3ie2 s PHE 425 CO 0.01 -4.61 0.00 0.41 -1.46 0.00 0.00 175.22 169.57 3ie2 n GLY 426 N 4.18 2.18 3.56 13.12 0.00 -0.81 -4.97 105.19 122.45 3ie2 n GLY 426 Ca 0.17 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 3ie2 n GLY 426 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie2 s GLU 427 N 0.00 2.43 0.81 1.61 2.02 -1.16 -4.74 118.70 119.67 3ie2 s GLU 427 Ca 0.00 1.47 -0.11 0.00 0.02 0.00 0.00 54.97 56.35 3ie2 s GLU 427 Cb 0.00 -4.50 0.08 0.00 0.10 0.00 0.00 34.13 29.81 3ie2 s GLU 427 CO 0.00 -2.91 1.09 0.20 0.02 0.00 0.00 175.26 173.66 3ie2 s GLY 428 N 10.68 1.64 -0.04 -1.39 0.00 -1.26 -4.46 107.32 112.49 3ie2 s GLY 428 Ca 0.95 0.05 0.04 0.00 0.00 0.00 0.00 44.72 45.76 3ie2 s GLY 428 CO 0.28 0.46 -0.17 0.14 0.00 0.00 0.00 173.10 173.81 3ie2 s VAL 429 N -2.97 1.42 -0.00 1.40 1.01 -0.43 -4.96 120.40 115.87 3ie2 s VAL 429 Ca 0.62 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 3ie2 s VAL 429 Cb -0.17 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.95 3ie2 s VAL 429 CO 0.56 0.41 1.23 -2.16 0.00 0.00 0.00 175.10 175.14 3ie2 s PRO 430 N 0.03 4.37 0.00 2.72 0.04 -1.26 -1.68 135.00 139.22 3ie2 s PRO 430 Ca -0.04 1.75 0.19 0.00 0.04 0.00 0.00 61.00 62.95 3ie2 s PRO 430 Cb -0.11 -3.48 1.16 0.00 0.04 0.00 0.00 34.50 32.11 3ie2 s PRO 430 CO 0.02 -0.39 1.55 0.28 0.04 0.00 0.00 177.00 178.50