#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 0.97 -0.12 2.12 1.70 -0.45 -0.09 118.95 123.08 3ie2 s ARG 2 Ca 0.00 -1.17 -0.01 0.00 -0.47 0.00 0.00 55.73 54.08 3ie2 s ARG 2 Cb 0.00 -0.89 -0.02 0.00 -0.57 0.00 0.00 34.95 33.47 3ie2 s ARG 2 CO 0.00 0.18 -0.08 -1.50 -1.08 0.00 0.00 175.30 172.82 3ie2 s ILE 3 N -1.92 3.53 -0.26 4.99 1.10 0.12 -0.65 121.20 128.10 3ie2 s ILE 3 Ca 0.06 -0.50 -0.01 0.00 -0.51 0.00 0.00 60.65 59.68 3ie2 s ILE 3 Cb -0.06 -2.50 0.03 0.00 0.15 0.00 0.00 42.46 40.09 3ie2 s ILE 3 CO 0.03 0.53 -0.05 -0.69 -2.11 0.00 0.00 174.94 172.65 3ie2 s VAL 4 N 0.05 2.87 -0.51 4.00 1.01 0.86 -0.84 120.40 127.83 3ie2 s VAL 4 Ca -0.02 -1.15 -0.28 0.00 0.00 0.00 0.00 61.98 60.53 3ie2 s VAL 4 Cb -0.14 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 3ie2 s VAL 4 CO 0.03 0.10 1.65 -2.84 0.00 0.00 0.00 175.10 174.05 3ie2 s PRO 5 N 1.29 3.11 -0.44 2.72 0.02 -1.26 0.45 135.00 140.89 3ie2 s PRO 5 Ca -0.02 0.76 0.04 0.00 0.02 0.00 0.00 61.00 61.81 3ie2 s PRO 5 Cb -0.18 -4.22 0.51 0.00 0.02 0.00 0.00 34.50 30.63 3ie2 s PRO 5 CO -0.04 -2.15 1.67 1.19 -0.33 0.00 0.00 177.00 177.34 3ie2 n PHE 6 N 10.73 2.50 0.00 6.54 3.72 0.15 -0.99 117.46 140.11 3ie2 n PHE 6 Ca 0.18 -2.26 0.00 0.00 -0.05 0.00 0.00 57.45 55.32 3ie2 n PHE 6 Cb 0.49 -0.86 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 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 -0.97 0.69 2.30 1.37 0.00 -1.07 -4.42 105.19 103.08 3ie2 n GLY 7 Ca 0.50 -1.13 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.79 -0.03 -2.61 4.61 0.00 0.11 -4.50 120.51 117.29 3ie2 n ALA 8 Ca 0.00 0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 3ie2 n ALA 8 Cb 0.00 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.79 3.42 0.00 0.00 0.00 -1.26 -0.77 121.76 122.36 3ie2 s ALA 9 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.59 3ie2 s ALA 9 Cb 0.00 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3ie2 s ALA 9 CO 0.00 -1.58 0.00 0.54 0.00 0.00 0.00 175.76 174.72 3ie2 n ARG 10 N 6.80 0.00 -0.89 0.00 1.74 -1.26 -4.80 116.66 118.25 3ie2 n ARG 10 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3ie2 n ARG 10 Cb 0.48 -2.98 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 3ie2 n ARG 10 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3ie2 n GLU 11 N -2.00 1.50 -0.00 5.56 0.28 -0.83 -4.12 120.64 121.02 3ie2 n GLU 11 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 3ie2 n GLU 11 Cb 0.00 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 32.87 3ie2 n GLU 11 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3ie2 n VAL 12 N 0.00 0.00 -4.12 3.84 0.24 -1.26 0.15 118.33 117.18 3ie2 n VAL 12 Ca 0.00 -0.44 -0.28 0.00 -2.04 0.00 0.00 64.34 61.58 3ie2 n VAL 12 Cb 0.00 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 33.30 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 -1.16 1.58 -0.88 3.34 -4.23 -1.26 -4.75 115.64 108.29 3ie2 s THR 13 Ca 0.00 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 3ie2 s THR 13 Cb 0.01 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.63 3ie2 s THR 13 CO 0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 3ie2 n GLY 14 N -1.60 0.25 3.58 3.99 0.00 -0.70 -0.71 105.19 109.99 3ie2 n GLY 14 Ca -0.06 -0.51 -0.50 0.00 0.00 0.00 0.00 46.02 44.95 3ie2 n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ie2 n SER 15 N 0.21 2.76 -3.63 1.61 2.88 -1.12 -3.32 113.62 113.02 3ie2 n SER 15 Ca -0.11 0.67 -0.04 0.00 -1.33 0.00 0.00 58.87 58.06 3ie2 n SER 15 Cb 0.52 -1.32 -0.06 0.00 -0.75 0.00 0.00 64.21 62.60 3ie2 n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ie2 s ALA 16 N 5.81 -2.03 -0.03 -1.46 0.00 -1.26 0.16 121.76 122.95 3ie2 s ALA 16 Ca 1.01 2.35 -0.00 0.00 0.00 0.00 0.00 51.96 55.32 3ie2 s ALA 16 Cb -0.77 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 20.80 3ie2 s ALA 16 CO 0.51 -0.52 0.02 -1.01 0.00 0.00 0.00 175.76 174.76 3ie2 s HIS 17 N 1.89 0.17 -0.38 0.00 0.09 -0.90 0.34 115.29 116.50 3ie2 s HIS 17 Ca -0.09 0.10 -0.19 0.00 -0.00 0.00 0.00 55.06 54.88 3ie2 s HIS 17 Cb -0.06 -0.38 0.01 0.00 -0.00 0.00 0.00 32.58 32.14 3ie2 s HIS 17 CO -0.19 -0.14 0.53 -1.17 -0.00 0.00 0.00 174.74 173.78 3ie2 s LEU 18 N 1.36 4.44 -0.16 0.89 2.96 0.17 0.05 118.68 128.39 3ie2 s LEU 18 Ca -0.05 -0.16 -0.19 0.00 -0.22 0.00 0.00 54.13 53.51 3ie2 s LEU 18 Cb -0.13 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 3ie2 s LEU 18 CO -0.03 -0.55 0.52 -0.22 -1.32 0.00 0.00 176.35 174.75 3ie2 s LEU 19 N 2.45 4.21 -0.29 -0.68 2.96 0.16 -0.10 118.68 127.40 3ie2 s LEU 19 Ca 0.19 0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 54.85 3ie2 s LEU 19 Cb -0.15 -2.73 0.05 0.00 0.50 0.00 0.00 46.19 43.85 3ie2 s LEU 19 CO 0.14 -0.11 -0.02 -0.76 -1.32 0.00 0.00 176.35 174.29 3ie2 s LEU 20 N 1.19 3.74 0.07 -0.68 1.43 0.17 -1.40 118.68 123.21 3ie2 s LEU 20 Ca 0.26 -1.20 -0.27 0.00 -1.03 0.00 0.00 54.13 51.88 3ie2 s LEU 20 Cb -0.15 -1.69 0.08 0.00 0.03 0.00 0.00 46.19 44.46 3ie2 s LEU 20 CO 0.10 -0.23 0.92 0.00 0.23 0.00 0.00 176.35 177.37 3ie2 s ALA 21 N 1.26 -1.74 -0.54 4.21 0.00 -1.02 -1.34 121.76 122.58 3ie2 s ALA 21 Ca -0.05 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.48 3ie2 s ALA 21 Cb -0.19 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.47 3ie2 s ALA 21 CO -0.02 -0.86 0.06 0.41 0.00 0.00 0.00 175.76 175.35 3ie2 n GLY 22 N -0.36 -0.49 2.09 0.00 0.00 -1.26 -0.20 105.19 104.97 3ie2 n GLY 22 Ca -0.08 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.68 0.50 3.09 -0.02 0.00 -1.26 -2.58 105.19 104.24 3ie2 n GLY 23 Ca -0.05 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.98 0.61 -0.36 1.61 1.81 0.72 -4.94 118.95 115.42 3ie2 s ARG 24 Ca 0.00 -1.18 0.03 0.00 -1.72 0.00 0.00 55.73 52.86 3ie2 s ARG 24 Cb 0.00 0.14 0.10 0.00 -0.45 0.00 0.00 34.95 34.75 3ie2 s ARG 24 CO 0.00 -0.09 0.09 1.03 -0.68 0.00 0.00 175.30 175.65 3ie2 s ARG 25 N -3.69 1.37 -0.17 3.54 0.52 -1.26 -2.43 118.95 116.83 3ie2 s ARG 25 Ca 0.06 -1.80 -0.07 0.00 -0.52 0.00 0.00 55.73 53.40 3ie2 s ARG 25 Cb 0.06 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 3ie2 s ARG 25 CO -0.08 -0.98 0.06 0.08 0.02 0.00 0.00 175.30 174.40 3ie2 s VAL 26 N 0.90 4.78 -0.28 3.52 1.01 -0.49 0.11 120.40 129.94 3ie2 s VAL 26 Ca 0.12 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.92 3ie2 s VAL 26 Cb -0.20 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3ie2 s VAL 26 CO -0.10 0.48 0.29 -0.22 0.00 0.00 0.00 175.10 175.55 3ie2 s LEU 27 N 0.18 4.07 -0.52 3.92 1.98 0.28 0.38 118.68 128.97 3ie2 s LEU 27 Ca 0.04 0.11 -0.19 0.00 -2.89 0.00 0.00 54.13 51.20 3ie2 s LEU 27 Cb -0.12 -2.28 0.06 0.00 0.66 0.00 0.00 46.19 44.51 3ie2 s LEU 27 CO 0.01 -0.14 0.65 -0.76 -1.89 0.00 0.00 176.35 174.21 3ie2 s LEU 28 N 1.93 4.97 0.23 -0.68 1.02 0.11 -1.15 118.68 125.10 3ie2 s LEU 28 Ca 0.11 -0.94 0.00 0.00 0.02 0.00 0.00 54.13 53.32 3ie2 s LEU 28 Cb -0.16 -2.45 0.00 0.00 0.02 0.00 0.00 46.19 43.60 3ie2 s LEU 28 CO 0.11 -0.93 0.00 0.47 0.02 0.00 0.00 176.35 176.02 3ie2 n ASP 29 N 6.24 -3.18 -3.04 2.29 8.00 0.76 -2.12 116.55 125.51 3ie2 n ASP 29 Ca -0.06 0.68 -0.16 0.00 0.71 0.00 0.00 54.79 55.95 3ie2 n ASP 29 Cb 0.45 -1.48 -0.00 0.00 -0.02 0.00 0.00 41.12 40.07 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 -1.83 2.21 0.17 0.00 0.00 0.43 -0.93 107.32 107.36 3ie2 s GLY 31 Ca 0.34 0.24 -0.07 0.00 0.00 0.00 0.00 44.72 45.23 3ie2 s GLY 31 CO -0.10 0.50 0.44 -3.16 0.00 0.00 0.00 173.10 170.79 3ie2 s MET 32 N -3.62 3.69 0.46 2.90 0.23 -1.01 -3.96 119.30 117.98 3ie2 s MET 32 Ca 0.59 0.05 -0.22 0.00 -1.03 0.00 0.00 55.69 55.09 3ie2 s MET 32 Cb -0.10 -2.78 -0.09 0.00 -1.53 0.00 0.00 34.83 30.34 3ie2 s MET 32 CO 0.23 0.42 1.04 -0.06 -2.03 0.00 0.00 175.02 174.62 3ie2 s PHE 33 N -1.71 3.09 0.00 3.16 0.08 -1.26 -1.72 117.98 119.62 3ie2 s PHE 33 Ca 0.43 1.60 -0.03 0.00 0.12 0.00 0.00 56.93 59.05 3ie2 s PHE 33 Cb -0.12 -3.09 -0.01 0.00 -0.57 0.00 0.00 43.02 39.24 3ie2 s PHE 33 CO 0.23 -0.76 0.04 -0.65 -0.10 0.00 0.00 175.22 173.98 3ie2 s GLN 34 N -2.98 0.32 7.71 0.44 -0.21 -1.26 -4.23 119.66 119.45 3ie2 s GLN 34 Ca 0.64 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.63 3ie2 s GLN 34 Cb -0.18 0.12 0.00 0.00 1.00 0.00 0.00 33.01 33.95 3ie2 s GLN 34 CO 0.22 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.74 3ie2 n GLY 35 N 1.87 2.78 0.33 3.09 0.00 -1.26 -3.56 105.19 108.44 3ie2 n GLY 35 Ca -0.21 -0.27 0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 0.06 0.16 1.61 1.57 -2.05 -1.33 116.57 116.58 3ie2 h LYS 36 Ca 0.00 -0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.45 3ie2 h LYS 36 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.30 3ie2 h LYS 36 CO 0.00 0.04 -1.62 0.93 -0.57 0.00 0.00 179.45 178.23 3ie2 h GLU 37 N 0.06 0.34 0.00 3.15 4.39 -1.92 -3.44 114.58 117.15 3ie2 h GLU 37 Ca 0.68 -0.58 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3ie2 h GLU 37 Cb 1.55 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.42 3ie2 h GLU 37 CO -0.81 1.23 0.00 -1.91 -1.16 0.00 0.00 179.01 176.36 3ie2 n GLU 38 N -3.53 0.00 0.00 2.33 4.07 -0.50 0.14 120.64 123.14 3ie2 n GLU 38 Ca -0.20 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.90 3ie2 n GLU 38 Cb 1.06 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 32.46 3ie2 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ie2 n ALA 39 N 0.00 1.07 0.19 4.31 0.00 -1.26 -2.46 120.51 122.36 3ie2 n ALA 39 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3ie2 n ALA 39 Cb 0.00 -1.01 0.38 0.00 0.00 0.00 0.00 19.45 18.81 3ie2 n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ie2 h ARG 40 N 0.00 0.00 0.00 0.00 2.47 -0.66 -2.87 114.38 113.31 3ie2 h ARG 40 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3ie2 h ARG 40 Cb 0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 3ie2 h ARG 40 CO 0.00 0.36 0.01 0.09 0.56 0.00 0.00 179.97 180.99 3ie2 n ASN 41 N -4.01 0.00 -0.05 7.04 5.03 -1.03 -0.86 115.26 121.37 3ie2 n ASN 41 Ca -0.02 0.15 0.00 0.00 0.87 0.00 0.00 54.58 55.59 3ie2 n ASN 41 Cb 0.41 -0.15 -0.15 0.00 -1.02 0.00 0.00 39.78 38.86 3ie2 n ASN 41 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3ie2 n HIS 42 N -1.14 0.00 -0.95 3.10 8.25 -1.08 -4.92 115.22 118.47 3ie2 n HIS 42 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.16 3ie2 n HIS 42 Cb 0.01 -0.70 0.15 0.00 1.12 0.00 0.00 29.99 30.57 3ie2 n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ie2 s ALA 43 N -2.93 1.49 0.44 -1.41 0.00 -0.04 -4.97 121.76 114.34 3ie2 s ALA 43 Ca -0.08 0.27 -0.24 0.00 0.00 0.00 0.00 51.96 51.91 3ie2 s ALA 43 Cb 0.09 -3.32 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 3ie2 s ALA 43 CO 0.81 -2.51 1.21 -1.25 0.00 0.00 0.00 175.76 174.01 3ie2 s PRO 44 N -4.76 3.81 0.26 0.00 0.04 -1.26 -4.91 135.00 128.17 3ie2 s PRO 44 Ca 0.65 1.91 -0.01 0.00 0.04 0.00 0.00 61.00 63.58 3ie2 s PRO 44 Cb -0.20 -2.52 0.56 0.00 0.04 0.00 0.00 34.50 32.37 3ie2 s PRO 44 CO 0.58 -0.55 1.72 0.74 0.04 0.00 0.00 177.00 179.53 3ie2 h PHE 45 N 2.25 0.59 0.00 0.56 0.04 -1.95 -3.45 116.94 114.98 3ie2 h PHE 45 Ca -0.49 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.31 3ie2 h PHE 45 Cb 1.25 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 39.26 3ie2 h PHE 45 CO 0.53 0.04 0.00 0.41 -0.60 0.00 0.00 178.31 178.69 3ie2 n GLY 46 N -1.33 0.87 3.33 -1.45 0.00 -1.26 -4.99 105.19 100.35 3ie2 n GLY 46 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 -0.25 -0.58 1.61 -0.71 -1.26 -5.06 117.98 109.72 3ie2 s PHE 47 Ca 0.00 -0.02 -0.27 0.00 -1.04 0.00 0.00 56.93 55.60 3ie2 s PHE 47 Cb 0.00 0.29 0.03 0.00 -1.21 0.00 0.00 43.02 42.13 3ie2 s PHE 47 CO 0.00 -0.71 1.15 0.34 -1.34 0.00 0.00 175.22 174.67 3ie2 s ASP 48 N -2.71 6.41 0.28 1.98 2.15 -1.26 -4.89 116.67 118.64 3ie2 s ASP 48 Ca 0.02 -0.01 0.14 0.00 0.43 0.00 0.00 52.55 53.13 3ie2 s ASP 48 Cb 0.01 -2.53 0.74 0.00 -0.30 0.00 0.00 42.92 40.84 3ie2 s ASP 48 CO -0.11 -1.46 1.34 -0.81 -0.17 0.00 0.00 175.17 173.96 3ie2 n PRO 49 N 8.33 0.09 0.05 4.34 -0.04 -1.26 -0.52 135.00 145.99 3ie2 n PRO 49 Ca 0.07 0.56 0.13 0.00 -0.04 0.00 0.00 63.50 64.22 3ie2 n PRO 49 Cb 0.49 -1.99 0.36 0.00 -0.04 0.00 0.00 33.50 32.32 3ie2 n PRO 49 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ie2 n LYS 50 N -2.01 0.17 0.00 0.54 5.02 -1.26 -3.65 118.16 116.97 3ie2 n LYS 50 Ca -0.01 0.10 0.12 0.00 -2.02 0.00 0.00 58.31 56.49 3ie2 n LYS 50 Cb 0.21 -1.66 0.12 0.00 -0.02 0.00 0.00 35.03 33.69 3ie2 n LYS 50 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ie2 n GLU 51 N -1.93 0.83 -2.49 1.97 -0.58 0.32 -4.93 120.64 113.83 3ie2 n GLU 51 Ca 0.05 -0.62 -0.41 0.00 -0.42 0.00 0.00 57.16 55.76 3ie2 n GLU 51 Cb 0.40 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.74 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 -2.60 3.85 -0.10 2.62 1.01 -1.24 -4.63 120.40 119.32 3ie2 s VAL 52 Ca 0.18 1.56 0.16 0.00 0.00 0.00 0.00 61.98 63.88 3ie2 s VAL 52 Cb 0.18 -3.99 -0.16 0.00 0.00 0.00 0.00 36.38 32.41 3ie2 s VAL 52 CO 0.61 0.25 0.77 0.47 0.00 0.00 0.00 175.10 177.20 3ie2 n ASP 53 N 2.57 0.85 -3.51 3.32 8.00 0.29 -4.88 116.55 123.19 3ie2 n ASP 53 Ca 0.04 0.38 -0.08 0.00 0.71 0.00 0.00 54.79 55.84 3ie2 n ASP 53 Cb 0.46 0.12 -0.02 0.00 -0.02 0.00 0.00 41.12 41.66 3ie2 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ie2 s ALA 54 N -2.84 -1.79 -0.02 2.24 0.00 -1.18 -4.48 121.76 113.68 3ie2 s ALA 54 Ca -0.03 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3ie2 s ALA 54 Cb 0.08 0.48 0.02 0.00 0.00 0.00 0.00 23.12 23.70 3ie2 s ALA 54 CO 0.82 -0.72 0.00 0.54 0.00 0.00 0.00 175.76 176.40 3ie2 s VAL 55 N -3.19 0.11 -0.12 0.00 0.11 -1.15 0.99 120.40 117.15 3ie2 s VAL 55 Ca 0.05 0.09 -0.00 0.00 -2.93 0.00 0.00 61.98 59.18 3ie2 s VAL 55 Cb -0.01 -0.19 -0.02 0.00 -1.53 0.00 0.00 36.38 34.63 3ie2 s VAL 55 CO -0.09 0.11 -0.11 -0.76 -3.33 0.00 0.00 175.10 170.92 3ie2 s LEU 56 N 0.82 2.84 -0.18 2.54 1.02 -0.30 0.19 118.68 125.60 3ie2 s LEU 56 Ca -0.08 -0.26 -0.06 0.00 0.02 0.00 0.00 54.13 53.75 3ie2 s LEU 56 Cb -0.11 -1.64 -0.03 0.00 0.02 0.00 0.00 46.19 44.43 3ie2 s LEU 56 CO -0.02 0.20 0.03 -0.76 0.02 0.00 0.00 176.35 175.82 3ie2 s LEU 57 N 0.14 3.58 0.17 1.79 1.02 0.15 -0.17 118.68 125.37 3ie2 s LEU 57 Ca -0.06 -0.02 -0.00 0.00 0.02 0.00 0.00 54.13 54.07 3ie2 s LEU 57 Cb -0.15 -1.90 0.04 0.00 0.02 0.00 0.00 46.19 44.21 3ie2 s LEU 57 CO 0.04 0.15 1.41 0.71 0.02 0.00 0.00 176.35 178.69 3ie2 h THR 58 N 5.04 1.41 -1.57 5.49 1.35 -1.87 -3.42 112.91 119.34 3ie2 h THR 58 Ca -0.35 -2.29 0.14 0.00 -0.55 0.00 0.00 66.41 63.36 3ie2 h THR 58 Cb 1.18 2.24 -0.22 0.00 -1.73 0.00 0.00 68.15 69.61 3ie2 h THR 58 CO 0.66 0.68 0.64 -1.38 -0.25 0.00 0.00 175.52 175.88 3ie2 s HIS 59 N -3.47 -0.28 -1.93 4.73 -3.43 -1.26 -1.24 115.29 108.40 3ie2 s HIS 59 Ca -0.05 0.40 0.00 0.00 -0.80 0.00 0.00 55.06 54.61 3ie2 s HIS 59 Cb 0.10 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.73 3ie2 s HIS 59 CO 0.84 -0.30 0.17 0.00 -2.00 0.00 0.00 174.74 173.45 3ie2 n ALA 60 N 0.44 1.45 -1.95 -1.38 0.00 -1.26 -4.58 120.51 113.22 3ie2 n ALA 60 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.96 3ie2 n ALA 60 Cb 0.59 -0.97 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 3ie2 n ALA 60 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3ie2 s HIS 61 N -1.94 3.25 0.51 0.00 3.76 -1.26 -4.76 115.29 114.85 3ie2 s HIS 61 Ca 0.00 1.29 0.24 0.00 -0.15 0.00 0.00 55.06 56.44 3ie2 s HIS 61 Cb 0.00 -3.59 1.33 0.00 1.11 0.00 0.00 32.58 31.43 3ie2 s HIS 61 CO 0.00 -1.76 1.98 1.25 -0.85 0.00 0.00 174.74 175.35 3ie2 h LEU 62 N 4.95 0.08 0.00 0.89 5.85 -1.95 0.08 115.31 125.22 3ie2 h LEU 62 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3ie2 h LEU 62 Cb 1.22 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3ie2 h LEU 62 CO 0.75 0.04 0.00 -0.90 -0.34 0.00 0.00 178.44 177.99 3ie2 n ASP 63 N -4.39 0.00 0.00 1.25 5.75 -1.26 0.42 116.55 118.31 3ie2 n ASP 63 Ca 0.11 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 3ie2 n ASP 63 Cb 0.61 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 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 -0.79 0.00 0.00 2.11 8.25 -0.08 -2.81 115.22 121.90 3ie2 n HIS 64 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3ie2 n HIS 64 Cb 0.05 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.16 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 -0.18 0.00 -0.33 1.59 0.31 -0.60 0.35 118.33 119.47 3ie2 n VAL 65 Ca 0.00 0.00 0.27 0.00 -0.01 0.00 0.00 64.34 64.60 3ie2 n VAL 65 Cb 0.02 0.20 0.53 0.00 -0.91 0.00 0.00 33.84 33.67 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 2.11 -0.03 2.92 0.00 -0.01 0.28 103.07 108.34 3ie2 h GLY 66 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3ie2 h GLY 66 CO 0.00 -0.61 0.00 0.54 0.00 0.00 0.00 176.54 176.47 3ie2 n ARG 67 N -5.11 1.38 -0.18 4.80 1.74 -0.11 -4.21 116.66 114.97 3ie2 n ARG 67 Ca 0.34 -0.56 -0.06 0.00 -0.77 0.00 0.00 57.85 56.80 3ie2 n ARG 67 Cb 1.12 -1.39 0.03 0.00 -1.02 0.00 0.00 32.46 31.20 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 1.20 0.54 -1.84 0.55 5.85 -0.20 -1.75 115.31 119.66 3ie2 h LEU 68 Ca 0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3ie2 h LEU 68 Cb 0.26 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 3ie2 h LEU 68 CO 0.00 0.38 0.00 1.55 -0.34 0.00 0.00 178.44 180.04 3ie2 h PRO 69 N 0.65 0.10 0.00 5.25 0.13 -1.78 0.89 132.00 137.24 3ie2 h PRO 69 Ca 0.20 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.31 3ie2 h PRO 69 Cb -0.02 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.09 3ie2 h PRO 69 CO -0.07 0.11 -0.09 -0.22 -0.23 0.00 0.00 178.00 177.50 3ie2 h LYS 70 N 0.10 0.00 -0.20 0.86 3.64 -1.61 -0.78 116.57 118.58 3ie2 h LYS 70 Ca 0.03 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 3ie2 h LYS 70 Cb 0.07 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3ie2 h LYS 70 CO 0.00 0.09 -0.08 1.25 -2.27 0.00 0.00 179.45 178.44 3ie2 h LEU 71 N 0.00 0.42 -0.26 5.20 5.85 -0.31 -2.59 115.31 123.61 3ie2 h LEU 71 Ca -0.00 -0.39 -0.19 0.00 0.84 0.00 0.00 57.88 58.14 3ie2 h LEU 71 Cb 0.65 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3ie2 h LEU 71 CO 0.01 0.72 -0.57 -0.26 -0.34 0.00 0.00 178.44 178.00 3ie2 h PHE 72 N 0.12 1.08 -1.16 1.25 -1.00 -1.37 -2.72 116.94 113.14 3ie2 h PHE 72 Ca 0.05 -0.40 0.34 0.00 2.81 0.00 0.00 57.97 60.77 3ie2 h PHE 72 Cb 0.55 -0.20 -0.11 0.00 3.61 0.00 0.00 35.95 39.80 3ie2 h PHE 72 CO 0.06 1.23 0.74 -0.09 -1.61 0.00 0.00 178.31 178.64 3ie2 h ARG 73 N 0.62 0.24 -0.64 1.51 9.65 -1.04 0.19 114.38 124.93 3ie2 h ARG 73 Ca 0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3ie2 h ARG 73 Cb 1.18 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 3ie2 h ARG 73 CO 0.13 0.16 0.00 0.39 2.80 0.00 0.00 179.97 183.45 3ie2 n GLU 74 N -4.66 3.35 0.00 0.20 1.02 -0.99 -4.94 120.64 114.63 3ie2 n GLU 74 Ca 0.30 -2.40 0.00 0.00 -0.02 0.00 0.00 57.16 55.04 3ie2 n GLU 74 Cb 1.12 -1.82 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 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 0.97 1.35 3.71 0.62 0.00 0.67 -4.67 105.19 107.84 3ie2 n GLY 75 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3ie2 n GLY 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ie2 s TYR 76 N -2.06 3.21 -0.35 1.61 6.14 -1.04 -4.75 117.35 120.11 3ie2 s TYR 76 Ca 0.00 0.98 0.14 0.00 0.64 0.00 0.00 57.07 58.84 3ie2 s TYR 76 Cb 0.00 -3.64 0.45 0.00 0.42 0.00 0.00 41.96 39.19 3ie2 s TYR 76 CO 0.00 -2.23 0.99 0.54 0.64 0.00 0.00 175.55 175.49 3ie2 n ARG 77 N 4.19 1.75 -0.98 4.97 5.12 -1.26 -4.38 116.66 126.07 3ie2 n ARG 77 Ca 0.11 -3.59 0.00 0.00 -1.93 0.00 0.00 57.85 52.44 3ie2 n ARG 77 Cb 0.43 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 3ie2 n ARG 77 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ie2 n GLY 78 N -0.16 5.27 3.91 -0.13 0.00 -1.26 -5.14 105.19 107.68 3ie2 n GLY 78 Ca 0.17 -2.12 -0.27 0.00 0.00 0.00 0.00 46.02 43.80 3ie2 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ie2 s PRO 79 N -0.46 3.35 -0.25 1.61 0.04 -1.26 -4.83 135.00 133.20 3ie2 s PRO 79 Ca 0.00 0.18 -0.02 0.00 0.04 0.00 0.00 61.00 61.20 3ie2 s PRO 79 Cb 0.00 -2.32 0.08 0.00 0.04 0.00 0.00 34.50 32.31 3ie2 s PRO 79 CO 0.00 -0.40 0.08 0.08 0.04 0.00 0.00 177.00 176.80 3ie2 s VAL 80 N -2.86 0.49 -0.03 -0.36 1.01 -0.08 -2.92 120.40 115.66 3ie2 s VAL 80 Ca 0.50 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 3ie2 s VAL 80 Cb -0.10 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 3ie2 s VAL 80 CO 0.46 -0.47 0.57 -0.31 0.00 0.00 0.00 175.10 175.34 3ie2 s TYR 81 N 1.84 3.65 -0.04 5.22 1.51 0.13 -0.82 117.35 128.84 3ie2 s TYR 81 Ca 0.05 1.13 -0.30 0.00 -1.01 0.00 0.00 57.07 56.95 3ie2 s TYR 81 Cb -0.17 -2.59 0.11 0.00 -0.11 0.00 0.00 41.96 39.20 3ie2 s TYR 81 CO -0.20 0.33 0.93 0.00 -1.11 0.00 0.00 175.55 175.50 3ie2 s ALA 82 N -0.06 -1.86 0.82 3.71 0.00 -1.10 0.35 121.76 123.62 3ie2 s ALA 82 Ca 0.30 1.12 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 3ie2 s ALA 82 Cb -0.18 0.28 0.09 0.00 0.00 0.00 0.00 23.12 23.31 3ie2 s ALA 82 CO 0.16 -0.65 1.12 0.95 0.00 0.00 0.00 175.76 177.33 3ie2 s THR 83 N -2.90 2.81 0.18 0.00 -4.23 -1.10 -1.35 115.64 109.06 3ie2 s THR 83 Ca 0.05 0.27 -0.15 0.00 -1.18 0.00 0.00 61.69 60.67 3ie2 s THR 83 Cb -0.01 -2.58 0.12 0.00 1.34 0.00 0.00 72.50 71.37 3ie2 s THR 83 CO -0.08 -0.34 1.67 0.03 -0.54 0.00 0.00 174.62 175.37 3ie2 h ARG 84 N -1.36 0.05 0.15 3.99 2.47 -1.94 -0.16 114.38 117.57 3ie2 h ARG 84 Ca -0.44 -0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.30 3ie2 h ARG 84 Cb 1.25 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.51 3ie2 h ARG 84 CO 0.48 0.03 -0.43 0.00 0.56 0.00 0.00 179.97 180.60 3ie2 h ALA 85 N 1.43 -0.80 -0.90 0.04 0.00 -1.91 0.44 119.26 117.57 3ie2 h ALA 85 Ca 0.22 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.24 3ie2 h ALA 85 Cb 0.34 0.72 -0.11 0.00 0.00 0.00 0.00 17.79 18.74 3ie2 h ALA 85 CO -0.43 -1.01 0.45 1.15 0.00 0.00 0.00 179.25 179.41 3ie2 h THR 86 N -0.69 0.58 -0.65 0.00 2.02 -1.54 0.24 112.91 112.87 3ie2 h THR 86 Ca 0.01 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.92 3ie2 h THR 86 Cb 0.70 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 3ie2 h THR 86 CO -0.23 0.10 0.06 0.58 0.37 0.00 0.00 175.52 176.39 3ie2 h VAL 87 N 0.52 1.27 -0.10 3.16 2.07 0.07 0.11 116.25 123.35 3ie2 h VAL 87 Ca 0.54 -1.10 -0.11 0.00 0.82 0.00 0.00 66.70 66.85 3ie2 h VAL 87 Cb 0.93 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3ie2 h VAL 87 CO -0.46 0.41 -0.35 -0.07 0.02 0.00 0.00 177.57 177.12 3ie2 h LEU 88 N 1.02 0.49 -1.00 2.57 3.38 0.50 -3.25 115.31 119.02 3ie2 h LEU 88 Ca 0.19 -0.62 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 3ie2 h LEU 88 Cb 0.50 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3ie2 h LEU 88 CO 0.02 1.02 0.46 -0.07 0.09 0.00 0.00 178.44 179.96 3ie2 h LEU 89 N -0.02 1.04 -1.34 1.67 3.38 -0.51 -2.91 115.31 116.62 3ie2 h LEU 89 Ca -0.02 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3ie2 h LEU 89 Cb 0.99 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3ie2 h LEU 89 CO 0.07 0.83 0.49 -0.03 0.09 0.00 0.00 178.44 179.90 3ie2 h MET 90 N 1.17 0.80 -0.06 1.13 4.05 -0.82 -1.77 114.93 119.44 3ie2 h MET 90 Ca 0.30 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.68 3ie2 h MET 90 Cb 0.02 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 3ie2 h MET 90 CO -0.05 0.53 -0.02 1.49 0.23 0.00 0.00 176.91 179.09 3ie2 h GLU 91 N 0.82 -0.02 0.93 0.39 4.81 -1.55 0.25 114.58 120.22 3ie2 h GLU 91 Ca 0.31 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.50 3ie2 h GLU 91 Cb 0.20 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.59 3ie2 h GLU 91 CO -0.10 -0.01 -0.46 0.82 -0.73 0.00 0.00 179.01 178.53 3ie2 h ILE 92 N -0.02 0.06 -0.85 2.32 2.04 -1.48 -1.96 117.51 117.62 3ie2 h ILE 92 Ca 0.03 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.01 3ie2 h ILE 92 Cb 0.06 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.12 3ie2 h ILE 92 CO -0.07 0.00 0.48 0.58 0.00 0.00 0.00 178.15 179.14 3ie2 h VAL 93 N -1.27 0.85 0.00 1.67 2.07 -1.23 -0.89 116.25 117.45 3ie2 h VAL 93 Ca -0.13 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.02 3ie2 h VAL 93 Cb 0.98 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3ie2 h VAL 93 CO 0.20 0.14 -0.53 0.25 0.02 0.00 0.00 177.57 177.65 3ie2 h LEU 94 N 0.76 0.00 0.01 2.57 5.85 -0.48 -1.82 115.31 122.20 3ie2 h LEU 94 Ca 0.43 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.88 3ie2 h LEU 94 Cb 0.48 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.52 3ie2 h LEU 94 CO -0.29 0.53 -1.13 -0.33 -0.34 0.00 0.00 178.44 176.88 3ie2 h GLU 95 N 0.00 0.50 -0.43 1.25 5.08 -0.76 -2.90 114.58 117.32 3ie2 h GLU 95 Ca -0.01 -0.64 -0.04 0.00 -1.00 0.00 0.00 59.36 57.67 3ie2 h GLU 95 Cb 1.15 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.59 3ie2 h GLU 95 CO 0.07 1.26 0.11 0.22 -1.00 0.00 0.00 179.01 179.67 3ie2 h ASP 96 N 0.24 0.65 -0.36 1.42 1.82 -1.13 -2.51 116.42 116.55 3ie2 h ASP 96 Ca -0.14 -0.23 0.08 0.00 -0.39 0.00 0.00 57.03 56.35 3ie2 h ASP 96 Cb 1.80 -0.17 -0.08 0.00 0.68 0.00 0.00 39.33 41.56 3ie2 h ASP 96 CO 0.21 0.71 -0.19 0.00 -1.61 0.00 0.00 179.24 178.35 3ie2 h ALA 97 N 0.97 0.07 -0.00 -0.78 0.00 -1.34 0.15 119.26 118.32 3ie2 h ALA 97 Ca 0.14 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3ie2 h ALA 97 Cb 0.31 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3ie2 h ALA 97 CO 0.00 -0.57 -0.31 1.25 0.00 0.00 0.00 179.25 179.61 3ie2 h LEU 98 N -0.14 -0.97 -0.48 0.00 6.46 -1.29 -3.00 115.31 115.90 3ie2 h LEU 98 Ca 0.18 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 58.10 3ie2 h LEU 98 Cb 0.42 0.37 -0.08 0.00 -0.73 0.00 0.00 40.66 40.64 3ie2 h LEU 98 CO -0.45 -0.31 -0.48 0.50 -0.62 0.00 0.00 178.44 177.09 3ie2 h LYS 99 N -0.39 -0.24 -2.61 1.25 1.63 -0.97 -3.03 116.57 112.20 3ie2 h LYS 99 Ca 0.01 0.02 -0.70 0.00 -0.85 0.00 0.00 60.65 59.13 3ie2 h LYS 99 Cb 0.42 0.05 -0.10 0.00 -0.60 0.00 0.00 32.23 32.00 3ie2 h LYS 99 CO -0.21 -0.16 2.41 0.28 -3.45 0.00 0.00 179.45 178.32 3ie2 n VAL 100 N -4.94 4.90 -3.46 2.00 0.31 -0.01 -4.86 118.33 112.27 3ie2 n VAL 100 Ca -0.02 -3.88 -0.12 0.00 -0.01 0.00 0.00 64.34 60.31 3ie2 n VAL 100 Cb 0.27 -2.12 -0.10 0.00 -0.91 0.00 0.00 33.84 30.98 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 -0.64 0.28 0.00 5.55 0.00 -1.15 -4.89 119.30 118.45 3ie2 s MET 101 Ca 0.57 0.52 0.00 0.00 0.00 0.00 0.00 55.69 56.78 3ie2 s MET 101 Cb 0.20 -0.55 0.00 0.00 0.00 0.00 0.00 34.83 34.49 3ie2 s MET 101 CO -0.10 -0.56 0.26 -0.40 0.00 0.00 0.00 175.02 174.22 3ie2 n ASP 102 N 5.35 0.00 -4.50 1.11 5.75 -1.26 -4.22 116.55 118.78 3ie2 n ASP 102 Ca -0.05 0.26 -0.43 0.00 -0.01 0.00 0.00 54.79 54.57 3ie2 n ASP 102 Cb 0.50 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.55 3ie2 n ASP 102 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ie2 s GLU 103 N -0.53 3.25 -0.31 0.11 2.02 -1.26 -5.01 118.70 116.98 3ie2 s GLU 103 Ca 0.00 -0.44 -0.29 0.00 0.02 0.00 0.00 54.97 54.27 3ie2 s GLU 103 Cb 0.00 -4.12 -0.01 0.00 0.10 0.00 0.00 34.13 30.10 3ie2 s GLU 103 CO 0.00 -1.64 1.59 -1.25 0.02 0.00 0.00 175.26 173.99 3ie2 s PRO 104 N 4.11 3.61 -0.00 0.39 0.04 -1.26 -4.82 135.00 137.07 3ie2 s PRO 104 Ca 0.28 1.37 0.09 0.00 0.04 0.00 0.00 61.00 62.79 3ie2 s PRO 104 Cb -0.14 -4.07 0.28 0.00 0.04 0.00 0.00 34.50 30.61 3ie2 s PRO 104 CO 0.16 -1.52 1.22 1.97 0.04 0.00 0.00 177.00 178.88 3ie2 n PHE 105 N 9.03 0.43 -3.57 0.56 1.16 -1.26 -4.80 117.46 119.00 3ie2 n PHE 105 Ca 0.19 -0.21 -0.12 0.00 -1.87 0.00 0.00 57.45 55.44 3ie2 n PHE 105 Cb 0.46 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.27 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 -1.59 -0.48 0.52 2.97 -0.71 -1.26 -4.78 117.98 112.65 3ie2 s PHE 106 Ca 0.21 0.91 0.08 0.00 -1.04 0.00 0.00 56.93 57.08 3ie2 s PHE 106 Cb 0.11 0.42 0.04 0.00 -1.21 0.00 0.00 43.02 42.38 3ie2 s PHE 106 CO 0.14 -0.40 0.57 0.20 -1.34 0.00 0.00 175.22 174.39 3ie2 s GLY 107 N -0.86 2.02 0.62 1.99 0.00 -1.26 -4.96 107.32 104.87 3ie2 s GLY 107 Ca -0.03 -1.78 0.35 0.00 0.00 0.00 0.00 44.72 43.25 3ie2 s GLY 107 CO 0.03 -1.74 2.27 -0.56 0.00 0.00 0.00 173.10 173.09 3ie2 h PRO 108 N 0.56 0.00 -0.18 2.90 0.13 -1.99 0.18 132.00 133.60 3ie2 h PRO 108 Ca -0.35 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.69 3ie2 h PRO 108 Cb 1.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 3ie2 h PRO 108 CO 0.49 0.00 -0.28 0.93 -0.23 0.00 0.00 178.00 178.91 3ie2 h GLU 109 N 0.00 0.33 -0.03 0.86 3.07 -2.00 -2.31 114.58 114.50 3ie2 h GLU 109 Ca 0.01 -0.12 -0.07 0.00 -0.50 0.00 0.00 59.36 58.67 3ie2 h GLU 109 Cb 0.08 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3ie2 h GLU 109 CO -0.00 0.59 -0.26 -0.44 -1.40 0.00 0.00 179.01 177.50 3ie2 h ASP 110 N 0.30 0.29 -0.47 1.42 3.32 -0.98 -2.80 116.42 117.50 3ie2 h ASP 110 Ca 0.04 -0.69 0.08 0.00 0.02 0.00 0.00 57.03 56.48 3ie2 h ASP 110 Cb 0.65 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 3ie2 h ASP 110 CO 0.05 0.94 0.32 0.58 -1.72 0.00 0.00 179.24 179.40 3ie2 h VAL 111 N -0.34 0.90 0.08 -1.35 2.07 -1.30 -0.19 116.25 116.12 3ie2 h VAL 111 Ca -0.02 -0.09 -0.25 0.00 0.82 0.00 0.00 66.70 67.15 3ie2 h VAL 111 Cb 0.95 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3ie2 h VAL 111 CO 0.05 0.05 -1.11 -0.08 0.02 0.00 0.00 177.57 176.50 3ie2 h GLU 112 N 0.27 0.35 -0.18 1.57 4.81 -1.44 -2.53 114.58 117.43 3ie2 h GLU 112 Ca 0.21 -0.48 -0.02 0.00 -0.13 0.00 0.00 59.36 58.95 3ie2 h GLU 112 Cb 0.48 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3ie2 h GLU 112 CO -0.04 1.18 0.05 1.49 -0.73 0.00 0.00 179.01 180.95 3ie2 h GLU 113 N 0.15 0.29 0.95 1.92 4.57 -0.95 -1.64 114.58 119.88 3ie2 h GLU 113 Ca -0.11 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 3ie2 h GLU 113 Cb 1.80 -0.04 0.01 0.00 -0.16 0.00 0.00 28.75 30.35 3ie2 h GLU 113 CO 0.19 0.42 -0.49 0.00 -1.18 0.00 0.00 179.01 177.95 3ie2 h ALA 114 N 0.86 -1.34 -1.01 2.92 0.00 -1.15 -2.92 119.26 116.62 3ie2 h ALA 114 Ca 0.06 -0.28 0.25 0.00 0.00 0.00 0.00 54.91 54.93 3ie2 h ALA 114 Cb 0.26 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 18.48 3ie2 h ALA 114 CO 0.00 -1.26 0.60 -0.07 0.00 0.00 0.00 179.25 178.52 3ie2 h LEU 115 N -1.32 0.67 -1.76 0.00 3.38 -1.46 0.80 115.31 115.64 3ie2 h LEU 115 Ca -0.13 0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3ie2 h LEU 115 Cb 1.02 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3ie2 h LEU 115 CO 0.19 0.11 0.00 1.23 0.09 0.00 0.00 178.44 180.06 3ie2 h GLY 116 N 0.58 0.00 -2.54 0.83 0.00 -1.11 -2.89 103.07 97.94 3ie2 h GLY 116 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.97 3ie2 h GLY 116 CO -0.47 0.00 0.00 1.42 0.00 0.00 0.00 176.54 177.49 3ie2 n HIS 117 N -3.00 1.06 -2.64 5.60 8.25 0.27 -4.96 115.22 119.80 3ie2 n HIS 117 Ca -0.00 -0.47 -0.41 0.00 -0.26 0.00 0.00 57.72 56.58 3ie2 n HIS 117 Cb 0.24 -0.10 -0.05 0.00 1.12 0.00 0.00 29.99 31.20 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 -1.30 4.55 -0.05 2.41 1.43 -1.09 -0.90 118.68 123.72 3ie2 s LEU 118 Ca 0.44 1.98 0.02 0.00 -1.03 0.00 0.00 54.13 55.54 3ie2 s LEU 118 Cb 0.25 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.88 3ie2 s LEU 118 CO 0.26 -0.05 -0.08 -0.13 0.23 0.00 0.00 176.35 176.58 3ie2 s ARG 119 N -0.64 1.24 0.58 1.70 0.52 0.00 -4.88 118.95 117.48 3ie2 s ARG 119 Ca 0.46 -0.26 -0.20 0.00 -0.52 0.00 0.00 55.73 55.21 3ie2 s ARG 119 Cb -0.27 -1.10 -0.04 0.00 0.52 0.00 0.00 34.95 34.06 3ie2 s ARG 119 CO 0.33 -0.02 1.22 -0.35 0.02 0.00 0.00 175.30 176.50 3ie2 n PRO 120 N 3.88 1.30 -3.15 3.54 -0.04 -1.26 -2.72 135.00 136.55 3ie2 n PRO 120 Ca -0.24 0.49 0.04 0.00 -0.04 0.00 0.00 63.50 63.75 3ie2 n PRO 120 Cb 0.51 -2.43 -0.01 0.00 -0.04 0.00 0.00 33.50 31.54 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 -3.18 -1.46 0.45 1.53 2.96 -0.45 -4.75 118.68 113.77 3ie2 s LEU 121 Ca 0.76 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 3ie2 s LEU 121 Cb -0.41 2.11 -0.00 0.00 0.50 0.00 0.00 46.19 48.38 3ie2 s LEU 121 CO 0.46 -0.27 0.67 -1.61 -1.32 0.00 0.00 176.35 174.28 3ie2 s GLU 122 N 2.85 3.07 0.02 1.98 0.41 -1.26 -2.70 118.70 123.07 3ie2 s GLU 122 Ca 0.17 -0.50 -0.36 0.00 -0.41 0.00 0.00 54.97 53.88 3ie2 s GLU 122 Cb -0.13 -2.56 -0.15 0.00 -1.78 0.00 0.00 34.13 29.51 3ie2 s GLU 122 CO -0.23 -0.26 1.59 0.66 -0.49 0.00 0.00 175.26 176.54 3ie2 n TYR 123 N -2.07 2.02 -0.21 1.61 4.01 -1.26 -1.49 117.16 119.77 3ie2 n TYR 123 Ca 0.01 0.37 0.00 0.00 -0.16 0.00 0.00 57.90 58.12 3ie2 n TYR 123 Cb 0.58 -2.49 0.00 0.00 -0.31 0.00 0.00 39.34 37.12 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 3.46 1.40 3.77 2.72 0.00 -0.85 -4.94 105.19 110.75 3ie2 n GLY 124 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.42 4.39 -0.24 1.61 2.02 -0.55 -4.93 118.70 120.58 3ie2 s GLU 125 Ca 0.00 0.91 -0.09 0.00 0.02 0.00 0.00 54.97 55.81 3ie2 s GLU 125 Cb 0.00 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.88 3ie2 s GLU 125 CO 0.00 0.46 0.13 -1.58 0.02 0.00 0.00 175.26 174.29 3ie2 s TRP 126 N -0.61 3.23 -0.09 1.61 0.52 -1.26 -4.15 118.94 118.20 3ie2 s TRP 126 Ca 0.33 0.03 -0.05 0.00 0.02 0.00 0.00 56.10 56.43 3ie2 s TRP 126 Cb -0.20 -2.25 -0.04 0.00 -1.15 0.00 0.00 33.47 29.83 3ie2 s TRP 126 CO 0.21 -0.06 0.14 -1.17 0.02 0.00 0.00 176.95 176.09 3ie2 s LEU 127 N 1.21 4.33 -0.16 2.99 2.96 -0.27 -4.96 118.68 124.77 3ie2 s LEU 127 Ca 0.06 0.41 0.02 0.00 -0.22 0.00 0.00 54.13 54.40 3ie2 s LEU 127 Cb -0.14 -2.21 0.02 0.00 0.50 0.00 0.00 46.19 44.36 3ie2 s LEU 127 CO 0.05 0.37 -0.21 -0.13 -1.32 0.00 0.00 176.35 175.11 3ie2 s ARG 128 N -1.28 2.98 -0.09 1.98 1.81 -1.26 -1.91 118.95 121.17 3ie2 s ARG 128 Ca 0.18 -0.83 0.01 0.00 -1.72 0.00 0.00 55.73 53.37 3ie2 s ARG 128 Cb -0.12 -2.50 0.02 0.00 -0.45 0.00 0.00 34.95 31.90 3ie2 s ARG 128 CO 0.08 -0.13 -0.09 -0.51 -0.68 0.00 0.00 175.30 173.97 3ie2 s LEU 129 N 1.10 1.38 0.00 2.53 1.43 -0.61 -4.98 118.68 119.52 3ie2 s LEU 129 Ca -0.00 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3ie2 s LEU 129 Cb -0.14 -0.80 0.00 0.00 0.03 0.00 0.00 46.19 45.28 3ie2 s LEU 129 CO -0.08 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.05 3ie2 n GLY 130 N 4.41 2.95 0.15 -3.19 0.00 -1.26 0.88 105.19 109.12 3ie2 n GLY 130 Ca -0.18 0.30 0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 11.21 2.32 -2.79 4.61 0.00 -1.07 -5.02 120.51 129.79 3ie2 n ALA 131 Ca 0.00 -2.56 -0.35 0.00 0.00 0.00 0.00 53.44 50.53 3ie2 n ALA 131 Cb 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.83 4.38 -0.17 0.00 2.96 0.25 -4.61 118.68 118.67 3ie2 s LEU 132 Ca 0.32 0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3ie2 s LEU 132 Cb 0.28 -2.54 0.04 0.00 0.50 0.00 0.00 46.19 44.47 3ie2 s LEU 132 CO 0.04 0.29 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.87 3ie2 s SER 133 N -1.56 2.82 0.17 3.68 0.01 -0.10 -1.58 113.70 117.14 3ie2 s SER 133 Ca 0.25 -0.67 0.08 0.00 1.31 0.00 0.00 55.95 56.92 3ie2 s SER 133 Cb -0.13 -0.87 -0.04 0.00 0.21 0.00 0.00 66.02 65.19 3ie2 s SER 133 CO 0.14 -0.20 -0.06 -0.76 0.41 0.00 0.00 173.24 172.77 3ie2 s LEU 134 N 1.66 3.11 0.19 2.44 1.43 -0.80 -0.14 118.68 126.57 3ie2 s LEU 134 Ca 0.00 -0.49 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 3ie2 s LEU 134 Cb -0.15 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.27 3ie2 s LEU 134 CO -0.08 0.10 0.38 0.00 0.23 0.00 0.00 176.35 176.99 3ie2 s ALA 135 N -1.67 -0.27 0.07 4.21 0.00 -0.31 -1.12 121.76 122.67 3ie2 s ALA 135 Ca 0.26 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.54 3ie2 s ALA 135 Cb -0.09 0.91 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 3ie2 s ALA 135 CO 0.16 -0.73 -0.06 -0.06 0.00 0.00 0.00 175.76 175.08 3ie2 s PHE 136 N -3.96 2.86 0.11 0.00 0.08 -1.26 -1.91 117.98 113.91 3ie2 s PHE 136 Ca 0.17 -0.08 0.08 0.00 0.12 0.00 0.00 56.93 57.21 3ie2 s PHE 136 Cb 0.01 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.91 3ie2 s PHE 136 CO 0.01 0.43 -0.20 0.20 -0.10 0.00 0.00 175.22 175.56 3ie2 s GLY 137 N -2.02 1.23 -0.11 4.36 0.00 -0.32 -2.00 107.32 108.46 3ie2 s GLY 137 Ca 0.22 -1.27 -0.29 0.00 0.00 0.00 0.00 44.72 43.38 3ie2 s GLY 137 CO 0.13 -1.28 1.92 1.62 0.00 0.00 0.00 173.10 175.50 3ie2 s GLN 138 N -2.05 3.76 0.00 2.90 2.00 -1.26 -1.34 119.66 123.68 3ie2 s GLN 138 Ca 0.07 2.16 0.19 0.00 -2.00 0.00 0.00 55.36 55.79 3ie2 s GLN 138 Cb -0.09 -4.18 -0.20 0.00 0.80 0.00 0.00 33.01 29.35 3ie2 s GLN 138 CO 0.04 -1.37 0.61 0.00 -0.50 0.00 0.00 175.29 174.07 3ie2 n ALA 139 N 8.94 2.15 -3.23 1.58 0.00 -1.10 0.09 120.51 128.95 3ie2 n ALA 139 Ca 0.22 -0.66 -0.23 0.00 0.00 0.00 0.00 53.44 52.77 3ie2 n ALA 139 Cb 0.43 -0.76 0.04 0.00 0.00 0.00 0.00 19.45 19.16 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 1.40 -0.53 0.07 0.00 0.00 -1.26 -1.51 105.19 103.36 3ie2 n GLY 140 Ca -0.12 0.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 -4.59 0.00 -3.43 1.61 -0.00 -1.26 -3.59 115.22 103.96 3ie2 n HIS 141 Ca -0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.53 3ie2 n HIS 141 Cb 0.59 -0.65 -0.02 0.00 -0.00 0.00 0.00 29.99 29.91 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 -5.09 -0.57 -0.25 0.27 1.43 -1.26 -4.90 118.68 108.31 3ie2 s LEU 142 Ca -0.08 0.06 -0.36 0.00 -1.03 0.00 0.00 54.13 52.72 3ie2 s LEU 142 Cb 0.04 2.57 -0.12 0.00 0.03 0.00 0.00 46.19 48.71 3ie2 s LEU 142 CO 0.53 -0.93 1.99 -2.65 0.23 0.00 0.00 176.35 175.52 3ie2 n PRO 143 N -0.26 1.45 -0.54 1.29 -0.02 -1.26 0.59 135.00 136.25 3ie2 n PRO 143 Ca -0.17 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3ie2 n PRO 143 Cb 0.64 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3ie2 n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ie2 n GLY 144 N 5.32 0.74 3.77 -1.23 0.00 -1.26 -4.13 105.19 108.40 3ie2 n GLY 144 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.14 6.47 0.15 1.61 1.04 0.20 -4.61 113.70 116.43 3ie2 s SER 145 Ca 0.00 2.21 -0.22 0.00 0.48 0.00 0.00 55.95 58.42 3ie2 s SER 145 Cb 0.00 -2.60 0.06 0.00 0.10 0.00 0.00 66.02 63.59 3ie2 s SER 145 CO 0.00 -0.70 0.57 0.00 0.98 0.00 0.00 173.24 174.09 3ie2 s ALA 146 N -1.56 -1.48 0.32 5.32 0.00 -0.37 -2.70 121.76 121.29 3ie2 s ALA 146 Ca 0.60 0.42 0.07 0.00 0.00 0.00 0.00 51.96 53.05 3ie2 s ALA 146 Cb -0.26 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 3ie2 s ALA 146 CO 0.33 -0.73 0.28 -0.59 0.00 0.00 0.00 175.76 175.05 3ie2 s PHE 147 N -3.68 2.94 0.04 0.00 -0.71 -0.45 -4.63 117.98 111.49 3ie2 s PHE 147 Ca 0.01 -0.27 0.05 0.00 -1.04 0.00 0.00 56.93 55.67 3ie2 s PHE 147 Cb -0.00 -1.75 -0.04 0.00 -1.21 0.00 0.00 43.02 40.02 3ie2 s PHE 147 CO -0.12 0.23 -0.07 0.08 -1.34 0.00 0.00 175.22 173.99 3ie2 s VAL 148 N -2.28 3.59 -0.14 -2.49 1.01 0.06 -1.18 120.40 118.98 3ie2 s VAL 148 Ca 0.40 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 3ie2 s VAL 148 Cb -0.06 -2.62 0.03 0.00 0.00 0.00 0.00 36.38 33.73 3ie2 s VAL 148 CO 0.26 0.28 -0.09 -0.69 0.00 0.00 0.00 175.10 174.86 3ie2 s VAL 149 N -1.10 1.23 -0.13 2.92 1.01 -0.80 -1.04 120.40 122.50 3ie2 s VAL 149 Ca 0.19 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3ie2 s VAL 149 Cb -0.11 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 3ie2 s VAL 149 CO 0.11 0.35 -0.17 0.00 0.00 0.00 0.00 175.10 175.38 3ie2 s ALA 150 N 1.61 2.43 -0.07 5.51 0.00 0.24 -1.17 121.76 130.32 3ie2 s ALA 150 Ca 0.04 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.05 3ie2 s ALA 150 Cb -0.13 -1.08 0.01 0.00 0.00 0.00 0.00 23.12 21.92 3ie2 s ALA 150 CO -0.09 0.17 -0.13 -1.14 0.00 0.00 0.00 175.76 174.57 3ie2 s GLN 151 N 0.50 1.81 0.00 0.00 -0.44 0.81 -0.45 119.66 121.89 3ie2 s GLN 151 Ca -0.12 -0.45 0.00 0.00 -2.50 0.00 0.00 55.36 52.30 3ie2 s GLN 151 Cb -0.16 -1.50 0.00 0.00 -1.64 0.00 0.00 33.01 29.70 3ie2 s GLN 151 CO 0.05 0.02 0.00 0.41 0.50 0.00 0.00 175.29 176.26 3ie2 n GLY 152 N 3.87 0.79 4.00 2.59 0.00 0.24 -0.92 105.19 115.76 3ie2 n GLY 152 Ca -0.22 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.05 -4.58 -1.58 1.61 1.02 -1.26 0.19 120.64 115.99 3ie2 n GLU 153 Ca 0.00 0.51 -0.17 0.00 -0.02 0.00 0.00 57.16 57.48 3ie2 n GLU 153 Cb 0.00 -5.27 -0.07 0.00 -0.02 0.00 0.00 31.44 26.08 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 -1.62 1.51 3.09 0.62 0.00 -1.26 -4.98 105.19 102.55 3ie2 n GLY 154 Ca -0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.59 0.60 -0.11 1.61 0.52 0.13 -5.13 118.95 112.98 3ie2 s ARG 155 Ca 0.00 -0.89 0.02 0.00 -0.52 0.00 0.00 55.73 54.34 3ie2 s ARG 155 Cb 0.00 -0.29 0.01 0.00 0.52 0.00 0.00 34.95 35.19 3ie2 s ARG 155 CO 0.00 0.04 -0.18 0.99 0.02 0.00 0.00 175.30 176.17 3ie2 s THR 156 N -1.87 1.70 -0.05 0.02 2.01 -1.26 -0.59 115.64 115.61 3ie2 s THR 156 Ca -0.05 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.23 3ie2 s THR 156 Cb -0.07 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.90 3ie2 s THR 156 CO -0.01 0.48 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.98 3ie2 s LEU 157 N 0.84 2.36 -0.18 4.42 2.96 0.40 -0.50 118.68 128.99 3ie2 s LEU 157 Ca -0.09 -0.37 0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3ie2 s LEU 157 Cb -0.15 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.10 3ie2 s LEU 157 CO -0.00 0.30 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.45 3ie2 s VAL 158 N -0.48 2.14 -0.36 1.68 1.01 -0.50 -0.59 120.40 123.31 3ie2 s VAL 158 Ca 0.06 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 3ie2 s VAL 158 Cb -0.12 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.40 3ie2 s VAL 158 CO 0.01 0.53 0.16 -0.47 0.00 0.00 0.00 175.10 175.33 3ie2 s TYR 159 N 1.21 3.24 0.34 5.22 6.04 -0.20 -0.67 117.35 132.54 3ie2 s TYR 159 Ca 0.03 -1.15 0.02 0.00 0.04 0.00 0.00 57.07 56.01 3ie2 s TYR 159 Cb -0.14 -2.36 0.60 0.00 -1.04 0.00 0.00 41.96 39.02 3ie2 s TYR 159 CO -0.10 -0.68 2.00 0.66 -1.54 0.00 0.00 175.55 175.89 3ie2 h SER 160 N 8.34 0.76 0.00 4.32 4.64 -1.45 0.21 113.55 130.36 3ie2 h SER 160 Ca -0.25 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3ie2 h SER 160 Cb 1.10 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 3ie2 h SER 160 CO 0.64 0.56 0.00 0.61 -0.87 0.00 0.00 176.83 177.77 3ie2 n GLY 161 N -1.41 0.42 3.61 -0.77 0.00 -1.26 -4.22 105.19 101.56 3ie2 n GLY 161 Ca 0.07 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 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 6.57 -0.05 1.61 -0.00 -1.26 -4.32 116.67 115.22 3ie2 s ASP 162 Ca 0.00 0.55 -0.24 0.00 -0.00 0.00 0.00 52.55 52.85 3ie2 s ASP 162 Cb 0.00 -2.36 -0.04 0.00 -0.00 0.00 0.00 42.92 40.52 3ie2 s ASP 162 CO 0.00 -0.52 0.74 -0.76 -0.00 0.00 0.00 175.17 174.63 3ie2 s LEU 163 N 2.73 4.33 0.89 1.23 2.01 -1.26 -4.40 118.68 124.21 3ie2 s LEU 163 Ca 0.28 1.26 -0.12 0.00 0.01 0.00 0.00 54.13 55.56 3ie2 s LEU 163 Cb -0.15 -3.15 0.17 0.00 0.01 0.00 0.00 46.19 43.08 3ie2 s LEU 163 CO 0.12 -0.13 1.23 -0.83 1.01 0.00 0.00 176.35 177.75 3ie2 s GLY 164 N 0.80 1.77 -0.63 -3.19 0.00 -0.57 -1.06 107.32 104.44 3ie2 s GLY 164 Ca 0.39 -1.30 -0.22 0.00 0.00 0.00 0.00 44.72 43.60 3ie2 s GLY 164 CO 0.20 -0.60 0.90 0.21 0.00 0.00 0.00 173.10 173.81 3ie2 s ASN 165 N -4.83 6.20 0.46 1.64 3.04 -1.23 -3.06 114.94 117.16 3ie2 s ASN 165 Ca 0.71 -0.98 0.24 0.00 0.04 0.00 0.00 52.86 52.88 3ie2 s ASN 165 Cb -0.05 -2.40 1.26 0.00 -1.54 0.00 0.00 41.25 38.53 3ie2 s ASN 165 CO 0.50 -1.34 1.84 -0.09 -3.04 0.00 0.00 177.10 174.98 3ie2 h ARG 166 N 9.45 0.23 0.00 0.43 2.43 -1.93 -2.88 114.38 122.11 3ie2 h ARG 166 Ca -0.29 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3ie2 h ARG 166 Cb 1.07 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 3ie2 h ARG 166 CO 1.15 0.15 0.00 0.39 -1.51 0.00 0.00 179.97 180.15 3ie2 n GLU 167 N -4.43 0.19 -0.08 0.20 1.02 -1.26 -4.80 120.64 111.48 3ie2 n GLU 167 Ca 0.21 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 3ie2 n GLU 167 Cb 0.89 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 3ie2 n GLU 167 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ie2 n LYS 168 N -1.30 0.46 0.00 3.49 5.02 -1.09 -4.73 118.16 120.01 3ie2 n LYS 168 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3ie2 n LYS 168 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.13 3ie2 n LYS 168 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ie2 n ASP 169 N -2.07 4.19 -0.00 4.39 10.43 -1.26 -4.86 116.55 127.37 3ie2 n ASP 169 Ca 0.00 0.00 -0.12 0.00 2.57 0.00 0.00 54.79 57.24 3ie2 n ASP 169 Cb 0.00 0.29 -0.08 0.00 1.84 0.00 0.00 41.12 43.16 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 1.25 -2.87 2.53 2.07 -1.98 -3.42 116.25 113.83 3ie2 h VAL 170 Ca 0.00 -0.73 -0.47 0.00 0.82 0.00 0.00 66.70 66.32 3ie2 h VAL 170 Cb 0.91 1.70 0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3ie2 h VAL 170 CO 0.00 0.20 -0.11 -0.76 0.02 0.00 0.00 177.57 176.91 3ie2 s LEU 171 N -9.58 3.82 0.44 2.57 2.01 -1.26 -0.10 118.68 116.58 3ie2 s LEU 171 Ca -0.15 0.44 -0.21 0.00 0.01 0.00 0.00 54.13 54.22 3ie2 s LEU 171 Cb 0.04 -3.32 -0.10 0.00 0.01 0.00 0.00 46.19 42.81 3ie2 s LEU 171 CO 0.68 -0.49 0.98 -2.16 1.01 0.00 0.00 176.35 176.36 3ie2 s PRO 172 N -4.47 4.10 0.73 1.29 0.04 -1.26 -4.52 135.00 130.91 3ie2 s PRO 172 Ca 0.44 1.23 -0.16 0.00 0.04 0.00 0.00 61.00 62.55 3ie2 s PRO 172 Cb -0.10 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.27 3ie2 s PRO 172 CO 0.38 -0.15 1.09 -0.25 0.04 0.00 0.00 177.00 178.11 3ie2 n ASP 173 N -0.67 0.95 -4.77 6.66 8.00 -1.26 -4.31 116.55 121.15 3ie2 n ASP 173 Ca 0.07 0.68 -0.37 0.00 0.71 0.00 0.00 54.79 55.89 3ie2 n ASP 173 Cb 0.53 -1.46 -0.00 0.00 -0.02 0.00 0.00 41.12 40.17 3ie2 n ASP 173 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3ie2 s PRO 174 N -3.52 3.65 0.07 -0.24 0.02 -1.26 -4.66 135.00 129.06 3ie2 s PRO 174 Ca 0.75 1.81 -0.20 0.00 0.02 0.00 0.00 61.00 63.38 3ie2 s PRO 174 Cb -0.34 -2.35 -0.07 0.00 0.02 0.00 0.00 34.50 31.77 3ie2 s PRO 174 CO 0.48 -0.65 0.59 0.45 -0.33 0.00 0.00 177.00 177.54 3ie2 s SER 175 N -1.36 7.09 0.77 2.53 0.15 0.11 -4.99 113.70 118.00 3ie2 s SER 175 Ca 0.65 1.29 -0.13 0.00 0.70 0.00 0.00 55.95 58.46 3ie2 s SER 175 Cb -0.29 -2.37 0.06 0.00 -1.71 0.00 0.00 66.02 61.71 3ie2 s SER 175 CO 0.35 0.25 1.15 -0.76 1.20 0.00 0.00 173.24 175.44 3ie2 s LEU 176 N -1.03 3.15 0.27 3.45 1.43 -1.26 -4.74 118.68 119.95 3ie2 s LEU 176 Ca 0.30 2.14 0.01 0.00 -1.03 0.00 0.00 54.13 55.55 3ie2 s LEU 176 Cb -0.20 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.42 3ie2 s LEU 176 CO 0.20 -2.32 0.45 -2.16 0.23 0.00 0.00 176.35 172.74 3ie2 s PRO 177 N -4.34 3.49 0.82 1.29 0.04 -1.26 -4.99 135.00 130.05 3ie2 s PRO 177 Ca 0.68 -0.45 -0.11 0.00 0.04 0.00 0.00 61.00 61.16 3ie2 s PRO 177 Cb -0.23 -2.78 0.08 0.00 0.04 0.00 0.00 34.50 31.61 3ie2 s PRO 177 CO 0.50 0.31 1.09 -1.25 0.04 0.00 0.00 177.00 177.69 3ie2 s PRO 178 N -3.90 1.87 0.24 0.56 0.04 -1.26 -4.91 135.00 127.64 3ie2 s PRO 178 Ca 0.38 1.06 -0.31 0.00 0.04 0.00 0.00 61.00 62.17 3ie2 s PRO 178 Cb -0.10 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.47 3ie2 s PRO 178 CO 0.32 -1.88 1.66 -1.17 0.04 0.00 0.00 177.00 175.96 3ie2 s LEU 179 N -6.05 4.36 0.33 -3.56 2.96 -1.26 -4.98 118.68 110.49 3ie2 s LEU 179 Ca 0.62 2.89 0.07 0.00 -0.22 0.00 0.00 54.13 57.49 3ie2 s LEU 179 Cb -0.18 -3.61 -0.07 0.00 0.50 0.00 0.00 46.19 42.83 3ie2 s LEU 179 CO 0.56 -0.94 -0.04 0.00 -1.32 0.00 0.00 176.35 174.62 3ie2 s ALA 180 N 0.67 2.70 -0.12 5.97 0.00 -1.26 -4.94 121.76 124.78 3ie2 s ALA 180 Ca 0.70 -2.07 0.16 0.00 0.00 0.00 0.00 51.96 50.75 3ie2 s ALA 180 Cb -0.48 0.20 -0.13 0.00 0.00 0.00 0.00 23.12 22.70 3ie2 s ALA 180 CO 0.39 -0.08 0.85 -0.44 0.00 0.00 0.00 175.76 176.48 3ie2 h ASP 181 N 2.07 0.00 -3.45 0.00 3.45 -1.16 -3.40 116.42 113.94 3ie2 h ASP 181 Ca -0.42 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.01 3ie2 h ASP 181 Cb 1.24 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 39.79 3ie2 h ASP 181 CO 0.71 0.61 -0.01 -0.22 -1.57 0.00 0.00 179.24 178.76 3ie2 s LEU 182 N -5.85 -0.63 -0.28 1.55 2.96 -1.22 -4.36 118.68 110.85 3ie2 s LEU 182 Ca -0.03 1.34 0.03 0.00 -0.22 0.00 0.00 54.13 55.25 3ie2 s LEU 182 Cb 0.09 2.18 0.07 0.00 0.50 0.00 0.00 46.19 49.02 3ie2 s LEU 182 CO 0.81 -0.23 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.85 3ie2 s VAL 183 N 1.05 2.27 -0.90 1.68 1.01 0.65 -1.41 120.40 124.74 3ie2 s VAL 183 Ca -0.06 -1.76 -0.23 0.00 0.00 0.00 0.00 61.98 59.93 3ie2 s VAL 183 Cb -0.05 -2.40 0.06 0.00 0.00 0.00 0.00 36.38 33.99 3ie2 s VAL 183 CO -0.10 -0.15 1.32 -0.22 0.00 0.00 0.00 175.10 175.95 3ie2 s LEU 184 N 1.08 3.70 0.09 3.92 2.96 0.16 -0.80 118.68 129.77 3ie2 s LEU 184 Ca -0.05 -1.22 0.03 0.00 -0.22 0.00 0.00 54.13 52.67 3ie2 s LEU 184 Cb -0.20 -2.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 3ie2 s LEU 184 CO -0.05 -1.53 0.11 0.00 -1.32 0.00 0.00 176.35 173.56 3ie2 s ALA 185 N 4.79 3.65 0.23 5.97 0.00 -0.98 -1.25 121.76 134.18 3ie2 s ALA 185 Ca 0.39 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 51.21 3ie2 s ALA 185 Cb -0.04 -1.51 -0.08 0.00 0.00 0.00 0.00 23.12 21.49 3ie2 s ALA 185 CO -0.01 0.74 0.63 -1.83 0.00 0.00 0.00 175.76 175.28 3ie2 s GLU 186 N -2.50 3.99 -0.10 0.00 4.04 -1.26 -1.06 118.70 121.80 3ie2 s GLU 186 Ca 0.31 0.55 0.15 0.00 0.04 0.00 0.00 54.97 56.01 3ie2 s GLU 186 Cb -0.12 -2.72 0.22 0.00 0.02 0.00 0.00 34.13 31.54 3ie2 s GLU 186 CO 0.23 0.34 1.11 0.41 -1.84 0.00 0.00 175.26 175.52 3ie2 n GLY 187 N 0.24 3.91 0.09 -3.83 0.00 -0.14 -4.86 105.19 100.60 3ie2 n GLY 187 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.12 -0.12 -2.72 2.61 -1.04 -0.78 -0.17 114.28 110.94 3ie2 n THR 188 Ca 0.12 0.57 -0.28 0.00 -2.04 0.00 0.00 64.05 62.43 3ie2 n THR 188 Cb 0.65 -0.76 -0.02 0.00 -1.82 0.00 0.00 70.33 68.37 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 -4.37 3.74 0.43 -1.42 4.02 -1.26 -4.84 117.16 113.45 3ie2 n TYR 189 Ca 0.03 -3.56 0.13 0.00 -0.01 0.00 0.00 57.90 54.49 3ie2 n TYR 189 Cb 0.11 -0.37 0.45 0.00 -0.02 0.00 0.00 39.34 39.51 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 0.75 2.72 0.00 -0.79 -3.22 103.07 105.39 3ie2 h GLY 190 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.23 3ie2 h GLY 190 CO 0.86 0.00 -1.60 1.29 0.00 0.00 0.00 176.54 177.09 3ie2 h ASP 191 N 0.00 0.51 -4.42 0.19 -0.00 -1.85 -3.25 116.42 107.60 3ie2 h ASP 191 Ca 0.00 -0.91 -0.28 0.00 -0.00 0.00 0.00 57.03 55.84 3ie2 h ASP 191 Cb 0.62 -0.17 -0.17 0.00 -0.00 0.00 0.00 39.33 39.62 3ie2 h ASP 191 CO 0.00 1.71 -0.72 0.00 -0.00 0.00 0.00 179.24 180.24 3ie2 s ARG 192 N -2.53 0.85 0.65 4.15 1.04 -1.25 -4.99 118.95 116.87 3ie2 s ARG 192 Ca -0.18 -1.23 -0.01 0.00 -1.04 0.00 0.00 55.73 53.27 3ie2 s ARG 192 Cb 0.05 -0.41 0.08 0.00 -2.04 0.00 0.00 34.95 32.63 3ie2 s ARG 192 CO 0.81 0.04 0.91 -1.25 -0.04 0.00 0.00 175.30 175.78 3ie2 s PRO 193 N -3.19 2.08 0.47 3.89 0.04 -1.26 -2.74 135.00 134.30 3ie2 s PRO 193 Ca 0.08 -0.84 0.06 0.00 0.04 0.00 0.00 61.00 60.34 3ie2 s PRO 193 Cb 0.00 -2.36 0.02 0.00 0.04 0.00 0.00 34.50 32.20 3ie2 s PRO 193 CO -0.01 -1.14 0.65 -1.01 0.04 0.00 0.00 177.00 175.53 3ie2 s HIS 194 N -3.02 2.74 -0.15 0.56 3.76 -1.26 -4.82 115.29 113.10 3ie2 s HIS 194 Ca 0.62 -0.29 -0.23 0.00 -0.15 0.00 0.00 55.06 55.02 3ie2 s HIS 194 Cb -0.08 -2.51 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 3ie2 s HIS 194 CO 0.42 -0.62 0.70 1.03 -0.85 0.00 0.00 174.74 175.41 3ie2 s ARG 195 N -4.51 4.30 -0.13 1.40 0.52 -1.26 -4.96 118.95 114.31 3ie2 s ARG 195 Ca 0.56 0.79 -0.19 0.00 -0.52 0.00 0.00 55.73 56.37 3ie2 s ARG 195 Cb -0.10 -3.54 -0.09 0.00 0.52 0.00 0.00 34.95 31.75 3ie2 s ARG 195 CO 0.35 -0.16 0.60 -2.30 0.02 0.00 0.00 175.30 173.81 3ie2 n PRO 196 N 4.70 0.00 0.21 3.54 -0.02 -1.26 -4.28 135.00 137.89 3ie2 n PRO 196 Ca 0.00 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.54 3ie2 n PRO 196 Cb 0.50 -0.65 0.54 0.00 -0.02 0.00 0.00 33.50 33.87 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 1.82 0.08 -0.35 6.00 5.03 -1.85 -2.39 116.97 125.31 3ie2 h TYR 197 Ca -0.20 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.03 3ie2 h TYR 197 Cb 0.60 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.84 3ie2 h TYR 197 CO 0.27 0.14 -0.09 -0.09 -1.32 0.00 0.00 178.16 177.07 3ie2 h ARG 198 N 0.08 0.59 0.20 1.82 2.43 -1.88 -2.43 114.38 115.19 3ie2 h ARG 198 Ca 0.02 -0.17 -0.31 0.00 -0.81 0.00 0.00 59.98 58.71 3ie2 h ARG 198 Cb 0.16 -0.06 0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3ie2 h ARG 198 CO 0.01 0.67 -1.41 1.05 -1.51 0.00 0.00 179.97 178.78 3ie2 h GLU 199 N 0.54 0.41 -0.65 0.20 4.11 -1.82 -3.20 114.58 114.18 3ie2 h GLU 199 Ca 0.10 -0.71 0.08 0.00 0.07 0.00 0.00 59.36 58.91 3ie2 h GLU 199 Cb 0.48 0.26 -0.06 0.00 0.50 0.00 0.00 28.75 29.93 3ie2 h GLU 199 CO 0.03 1.33 0.31 1.15 0.07 0.00 0.00 179.01 181.90 3ie2 h THR 200 N 0.11 0.86 -0.37 -1.06 2.02 -1.30 -1.15 112.91 112.02 3ie2 h THR 200 Ca -0.22 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 3ie2 h THR 200 Cb 2.08 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 68.74 3ie2 h THR 200 CO 0.24 0.10 0.07 0.58 0.37 0.00 0.00 175.52 176.87 3ie2 h VAL 201 N 0.55 1.18 -0.20 3.16 2.07 -1.52 0.86 116.25 122.36 3ie2 h VAL 201 Ca 0.31 -0.67 -0.21 0.00 0.82 0.00 0.00 66.70 66.95 3ie2 h VAL 201 Cb 0.31 0.83 0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3ie2 h VAL 201 CO -0.25 0.24 -0.68 0.03 0.02 0.00 0.00 177.57 176.93 3ie2 h ARG 202 N 0.54 0.81 -0.23 1.57 3.08 -1.28 -1.27 114.38 117.60 3ie2 h ARG 202 Ca 0.12 -0.61 -0.16 0.00 0.07 0.00 0.00 59.98 59.41 3ie2 h ARG 202 Cb 0.25 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3ie2 h ARG 202 CO 0.00 1.23 -0.50 1.49 -1.07 0.00 0.00 179.97 181.12 3ie2 h GLU 203 N 0.56 0.65 -0.02 0.04 4.81 -1.04 -0.68 114.58 118.90 3ie2 h GLU 203 Ca -0.03 -0.38 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 3ie2 h GLU 203 Cb 1.31 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 3ie2 h GLU 203 CO 0.14 1.00 -0.04 0.35 -0.73 0.00 0.00 179.01 179.73 3ie2 h PHE 204 N 0.51 -0.11 -0.30 0.92 3.04 -0.72 0.12 116.94 120.41 3ie2 h PHE 204 Ca 0.02 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 61.89 3ie2 h PHE 204 Cb 1.05 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.60 3ie2 h PHE 204 CO 0.05 -0.07 -0.20 -0.07 -2.02 0.00 0.00 178.31 176.00 3ie2 h LEU 205 N -0.07 0.54 -0.35 0.59 3.38 -1.18 -1.89 115.31 116.34 3ie2 h LEU 205 Ca 0.03 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3ie2 h LEU 205 Cb 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3ie2 h LEU 205 CO -0.06 0.75 0.20 -0.08 0.09 0.00 0.00 178.44 179.35 3ie2 h GLU 206 N 0.49 0.40 0.60 1.13 4.81 -0.46 0.12 114.58 121.68 3ie2 h GLU 206 Ca 0.08 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 3ie2 h GLU 206 Cb 0.63 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.92 3ie2 h GLU 206 CO 0.04 0.27 -0.29 0.82 -0.73 0.00 0.00 179.01 179.12 3ie2 h ILE 207 N 0.42 0.38 -0.71 2.32 2.04 -0.47 -1.85 117.51 119.64 3ie2 h ILE 207 Ca 0.14 -0.12 0.17 0.00 1.00 0.00 0.00 64.86 66.06 3ie2 h ILE 207 Cb 0.00 0.43 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 3ie2 h ILE 207 CO -0.07 0.02 0.49 -0.07 0.00 0.00 0.00 178.15 178.53 3ie2 h LEU 208 N -0.88 0.19 -0.48 1.44 3.38 -1.18 -1.21 115.31 116.57 3ie2 h LEU 208 Ca -0.08 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.75 3ie2 h LEU 208 Cb 0.65 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 3ie2 h LEU 208 CO 0.14 0.09 -0.34 -0.08 0.09 0.00 0.00 178.44 178.34 3ie2 h GLU 209 N 0.20 0.89 0.23 1.13 4.81 -0.29 -1.64 114.58 119.90 3ie2 h GLU 209 Ca 0.35 -0.44 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 3ie2 h GLU 209 Cb 1.08 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3ie2 h GLU 209 CO -0.07 1.09 -0.11 -0.22 -0.73 0.00 0.00 179.01 178.97 3ie2 h LYS 210 N 0.74 -0.29 -0.69 1.92 3.64 -0.43 -2.96 116.57 118.50 3ie2 h LYS 210 Ca 0.07 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3ie2 h LYS 210 Cb 0.91 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 3ie2 h LYS 210 CO 0.08 -0.19 0.45 0.00 -2.27 0.00 0.00 179.45 177.52 3ie2 h THR 211 N -1.03 1.17 -0.29 1.00 1.03 -1.47 -2.27 112.91 111.07 3ie2 h THR 211 Ca -0.03 -0.32 0.03 0.00 -0.01 0.00 0.00 66.41 66.08 3ie2 h THR 211 Cb 0.23 0.17 -0.03 0.00 -1.07 0.00 0.00 68.15 67.45 3ie2 h THR 211 CO 0.05 0.17 0.12 -0.07 -0.01 0.00 0.00 175.52 175.78 3ie2 h LEU 212 N 0.92 0.16 -2.17 0.00 4.07 -1.45 -0.27 115.31 116.58 3ie2 h LEU 212 Ca 0.25 0.02 0.01 0.00 0.08 0.00 0.00 57.88 58.25 3ie2 h LEU 212 Cb -0.10 -0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.63 3ie2 h LEU 212 CO -0.06 0.13 0.04 0.28 -1.08 0.00 0.00 178.44 177.75 3ie2 h SER 213 N 0.26 0.00 -0.67 -0.43 0.02 -1.26 -0.96 113.55 110.51 3ie2 h SER 213 Ca 0.12 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.77 3ie2 h SER 213 Cb 0.07 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.43 3ie2 h SER 213 CO -0.11 0.00 0.38 0.00 -1.14 0.00 0.00 176.83 175.97 3ie2 n GLN 214 N -4.26 2.33 -2.18 3.45 10.64 -0.81 -4.86 117.38 121.69 3ie2 n GLN 214 Ca -0.02 -2.24 -0.19 0.00 -1.83 0.00 0.00 57.00 52.72 3ie2 n GLN 214 Cb 0.13 -1.91 -0.03 0.00 -0.86 0.00 0.00 30.24 27.58 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 -0.47 0.11 3.99 2.61 0.00 -0.36 -4.98 105.19 106.10 3ie2 n GLY 215 Ca 0.39 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.19 1.82 -0.11 -0.02 0.00 -0.17 -3.66 107.32 102.98 3ie2 s GLY 216 Ca 0.00 -1.62 -0.04 0.00 0.00 0.00 0.00 44.72 43.07 3ie2 s GLY 216 CO 0.00 -1.26 0.03 0.54 0.00 0.00 0.00 173.10 172.41 3ie2 s LYS 217 N -4.76 3.26 -0.30 2.90 1.02 -1.26 -3.34 119.74 117.27 3ie2 s LYS 217 Ca 0.60 -0.36 -0.10 0.00 0.02 0.00 0.00 55.97 56.12 3ie2 s LYS 217 Cb -0.08 -2.93 -0.03 0.00 -0.52 0.00 0.00 37.83 34.27 3ie2 s LYS 217 CO 0.39 0.61 0.17 0.08 -0.92 0.00 0.00 175.35 175.68 3ie2 s VAL 218 N -0.62 4.97 -0.28 3.17 1.01 -0.89 -2.06 120.40 125.70 3ie2 s VAL 218 Ca 0.11 -0.11 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 3ie2 s VAL 218 Cb -0.12 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3ie2 s VAL 218 CO 0.02 0.16 0.16 -0.76 0.00 0.00 0.00 175.10 174.68 3ie2 s LEU 219 N 1.69 3.92 -0.31 3.92 1.02 -0.25 -0.91 118.68 127.76 3ie2 s LEU 219 Ca 0.06 -0.16 0.02 0.00 0.02 0.00 0.00 54.13 54.07 3ie2 s LEU 219 Cb -0.16 -2.05 0.09 0.00 0.02 0.00 0.00 46.19 44.08 3ie2 s LEU 219 CO 0.09 -0.08 0.05 -0.63 0.02 0.00 0.00 176.35 175.79 3ie2 s ILE 220 N 1.70 1.61 0.27 -0.59 1.01 -0.21 -0.07 121.20 124.93 3ie2 s ILE 220 Ca 0.06 -1.77 -0.29 0.00 0.00 0.00 0.00 60.65 58.65 3ie2 s ILE 220 Cb -0.16 -2.13 -0.09 0.00 0.01 0.00 0.00 42.46 40.08 3ie2 s ILE 220 CO 0.08 -0.53 1.12 -2.16 0.00 0.00 0.00 174.94 173.46 3ie2 s PRO 221 N 1.26 4.61 0.04 2.79 0.04 -1.26 -1.84 135.00 140.65 3ie2 s PRO 221 Ca 0.07 1.83 -0.07 0.00 0.04 0.00 0.00 61.00 62.87 3ie2 s PRO 221 Cb -0.18 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 3ie2 s PRO 221 CO -0.14 0.16 0.13 0.95 0.04 0.00 0.00 177.00 178.14 3ie2 s THR 222 N -1.00 0.13 0.18 1.26 -4.23 0.13 -4.48 115.64 107.64 3ie2 s THR 222 Ca 0.46 -1.03 -0.24 0.00 -1.18 0.00 0.00 61.69 59.70 3ie2 s THR 222 Cb -0.32 -0.92 -0.08 0.00 1.34 0.00 0.00 72.50 72.51 3ie2 s THR 222 CO 0.41 -0.57 0.76 -0.36 -0.54 0.00 0.00 174.62 174.32 3ie2 s PHE 223 N -2.65 3.83 0.33 3.99 0.40 -1.26 -3.32 117.98 119.31 3ie2 s PHE 223 Ca -0.04 1.57 0.14 0.00 -0.60 0.00 0.00 56.93 57.99 3ie2 s PHE 223 Cb -0.01 -2.73 0.70 0.00 0.51 0.00 0.00 43.02 41.50 3ie2 s PHE 223 CO -0.05 0.46 1.79 0.00 0.70 0.00 0.00 175.22 178.13 3ie2 h ALA 224 N 4.07 1.26 0.12 5.36 0.00 -1.96 -2.72 119.26 125.39 3ie2 h ALA 224 Ca -0.47 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 3ie2 h ALA 224 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ie2 h ALA 224 CO 0.66 0.50 -0.06 0.28 0.00 0.00 0.00 179.25 180.63 3ie2 h VAL 225 N 0.00 1.06 0.00 0.00 2.07 -1.93 -3.38 116.25 114.07 3ie2 h VAL 225 Ca -0.00 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3ie2 h VAL 225 Cb 0.74 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 3ie2 h VAL 225 CO 0.05 0.24 -0.48 1.21 0.02 0.00 0.00 177.57 178.62 3ie2 n GLU 226 N -4.93 0.63 -0.32 1.57 0.00 -1.26 -4.78 120.64 111.54 3ie2 n GLU 226 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.04 3ie2 n GLU 226 Cb 0.26 -0.74 0.08 0.00 0.00 0.00 0.00 31.44 31.05 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 1.19 0.15 5.31 9.65 -1.87 -0.18 114.38 128.63 3ie2 h ARG 227 Ca 0.00 -0.11 0.01 0.00 -1.10 0.00 0.00 59.98 58.78 3ie2 h ARG 227 Cb 0.48 -0.25 -0.04 0.00 -1.39 0.00 0.00 29.97 28.76 3ie2 h ARG 227 CO 0.00 0.83 -0.51 0.00 2.80 0.00 0.00 179.97 183.09 3ie2 h ALA 228 N 1.29 -1.00 0.00 2.80 0.00 -1.74 -0.30 119.26 120.31 3ie2 h ALA 228 Ca 0.31 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3ie2 h ALA 228 Cb -0.06 0.87 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3ie2 h ALA 228 CO -0.06 -1.12 -0.22 -0.56 0.00 0.00 0.00 179.25 177.29 3ie2 h GLN 229 N -0.75 0.00 -0.53 0.00 -0.00 -1.81 -2.32 115.11 109.71 3ie2 h GLN 229 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.57 3ie2 h GLN 229 Cb 0.74 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 28.20 3ie2 h GLN 229 CO -0.26 0.22 0.05 1.49 -0.00 0.00 0.00 178.83 180.33 3ie2 h GLU 230 N 0.00 0.85 -0.01 0.06 4.81 0.03 -0.72 114.58 119.61 3ie2 h GLU 230 Ca -0.00 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3ie2 h GLU 230 Cb 0.41 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 3ie2 h GLU 230 CO 0.03 0.82 0.00 0.82 -0.73 0.00 0.00 179.01 179.95 3ie2 h ILE 231 N 0.80 1.18 -0.99 2.32 1.08 -0.55 -1.94 117.51 119.41 3ie2 h ILE 231 Ca 0.16 -0.52 0.24 0.00 -0.39 0.00 0.00 64.86 64.35 3ie2 h ILE 231 Cb 0.41 1.51 -0.09 0.00 -3.07 0.00 0.00 36.82 35.59 3ie2 h ILE 231 CO 0.01 0.14 0.64 -0.07 -0.69 0.00 0.00 178.15 178.18 3ie2 h LEU 232 N -0.20 0.48 -0.31 1.44 3.38 -1.13 0.12 115.31 119.09 3ie2 h LEU 232 Ca 0.00 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3ie2 h LEU 232 Cb 0.22 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3ie2 h LEU 232 CO -0.00 0.14 -0.10 0.22 0.09 0.00 0.00 178.44 178.79 3ie2 h TYR 233 N 0.45 0.69 -0.18 1.13 3.20 -0.56 -0.77 116.97 120.94 3ie2 h TYR 233 Ca 0.55 -0.16 -0.06 0.00 3.14 0.00 0.00 58.73 62.21 3ie2 h TYR 233 Cb 1.32 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 3ie2 h TYR 233 CO -0.00 0.81 -0.14 0.28 -1.64 0.00 0.00 178.16 177.46 3ie2 h VAL 234 N 0.37 1.20 -0.10 1.81 2.07 -0.14 -1.24 116.25 120.22 3ie2 h VAL 234 Ca 0.08 -0.87 -0.15 0.00 0.82 0.00 0.00 66.70 66.58 3ie2 h VAL 234 Cb 0.60 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 3ie2 h VAL 234 CO 0.03 0.27 -0.57 -0.07 0.02 0.00 0.00 177.57 177.25 3ie2 h LEU 235 N 0.27 0.37 -0.18 2.57 3.38 -0.59 -2.74 115.31 118.39 3ie2 h LEU 235 Ca 0.05 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 3ie2 h LEU 235 Cb 0.42 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3ie2 h LEU 235 CO 0.02 0.86 -0.36 0.22 0.09 0.00 0.00 178.44 179.28 3ie2 h TYR 236 N 0.25 0.71 0.00 1.13 3.20 -0.55 0.06 116.97 121.78 3ie2 h TYR 236 Ca -0.00 -0.26 0.00 0.00 3.14 0.00 0.00 58.73 61.61 3ie2 h TYR 236 Cb 1.08 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.22 3ie2 h TYR 236 CO 0.03 1.00 0.00 0.25 -1.64 0.00 0.00 178.16 177.79 3ie2 n THR 237 N -4.30 0.04 -0.98 1.81 -2.24 -0.52 -3.33 114.28 104.76 3ie2 n THR 237 Ca -0.06 0.01 0.01 0.00 -2.27 0.00 0.00 64.05 61.74 3ie2 n THR 237 Cb 0.51 -0.55 0.01 0.00 -2.10 0.00 0.00 70.33 68.20 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 -1.11 0.00 -0.15 4.78 8.25 -1.04 -4.86 115.22 121.09 3ie2 n HIS 238 Ca 0.18 -0.21 0.18 0.00 -0.26 0.00 0.00 57.72 57.61 3ie2 n HIS 238 Cb 0.15 -0.04 0.56 0.00 1.12 0.00 0.00 29.99 31.78 3ie2 n HIS 238 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3ie2 h GLY 239 N 0.00 0.55 -0.13 -1.41 0.00 -0.98 -2.94 103.07 98.17 3ie2 h GLY 239 Ca 0.00 -0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.24 3ie2 h GLY 239 CO 0.00 0.03 -0.48 1.12 0.00 0.00 0.00 176.54 177.21 3ie2 h HIS 240 N 0.30 -1.41 0.00 5.60 2.07 -1.86 -2.54 115.15 117.30 3ie2 h HIS 240 Ca 0.37 0.06 -0.05 0.00 -2.85 0.00 0.00 60.37 57.90 3ie2 h HIS 240 Cb 1.01 0.64 -0.01 0.00 2.57 0.00 0.00 27.41 31.63 3ie2 h HIS 240 CO -0.00 -0.50 -0.26 0.07 -3.07 0.00 0.00 177.93 174.17 3ie2 h ARG 241 N -0.50 0.00 -6.51 5.12 0.11 -1.93 -3.45 114.38 107.22 3ie2 h ARG 241 Ca 0.07 0.00 -0.53 0.00 0.10 0.00 0.00 59.98 59.62 3ie2 h ARG 241 Cb 0.64 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.71 3ie2 h ARG 241 CO -0.46 0.26 0.42 -0.51 0.10 0.00 0.00 179.97 179.79 3ie2 s LEU 242 N -6.76 4.42 0.25 0.08 1.43 -0.96 -5.01 118.68 112.14 3ie2 s LEU 242 Ca 0.01 1.84 -0.30 0.00 -1.03 0.00 0.00 54.13 54.65 3ie2 s LEU 242 Cb 0.10 -3.58 -0.10 0.00 0.03 0.00 0.00 46.19 42.63 3ie2 s LEU 242 CO 0.65 -0.24 1.50 -2.16 0.23 0.00 0.00 176.35 176.33 3ie2 s PRO 243 N 0.52 4.22 0.41 1.29 0.04 -1.26 -4.92 135.00 135.30 3ie2 s PRO 243 Ca 0.52 2.39 -0.26 0.00 0.04 0.00 0.00 61.00 63.69 3ie2 s PRO 243 Cb -0.25 -3.09 -0.10 0.00 0.04 0.00 0.00 34.50 31.10 3ie2 s PRO 243 CO 0.30 -0.51 1.31 2.89 0.04 0.00 0.00 177.00 181.03 3ie2 n ARG 244 N 2.49 2.04 -3.60 4.56 1.85 -1.26 -4.98 116.66 117.76 3ie2 n ARG 244 Ca 0.08 0.72 -0.06 0.00 -1.00 0.00 0.00 57.85 57.60 3ie2 n ARG 244 Cb 0.39 -2.43 -0.04 0.00 -1.05 0.00 0.00 32.46 29.34 3ie2 n ARG 244 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3ie2 s ALA 245 N -1.18 -2.03 0.59 2.89 0.00 -1.26 -4.98 121.76 115.80 3ie2 s ALA 245 Ca 0.60 1.64 -0.16 0.00 0.00 0.00 0.00 51.96 54.04 3ie2 s ALA 245 Cb -0.50 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 3ie2 s ALA 245 CO 0.59 -0.41 1.07 -1.25 0.00 0.00 0.00 175.76 175.76 3ie2 s PRO 246 N -1.66 3.26 -0.27 0.00 0.04 -1.26 -4.81 135.00 130.30 3ie2 s PRO 246 Ca 0.06 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.40 3ie2 s PRO 246 Cb -0.01 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 32.59 3ie2 s PRO 246 CO -0.04 -0.87 -0.01 0.42 0.04 0.00 0.00 177.00 176.54 3ie2 s ILE 247 N -2.33 1.66 -0.19 0.56 1.01 -0.83 -1.54 121.20 119.53 3ie2 s ILE 247 Ca 0.65 -1.55 -0.14 0.00 0.00 0.00 0.00 60.65 59.61 3ie2 s ILE 247 Cb -0.18 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.22 3ie2 s ILE 247 CO 0.35 -0.30 0.33 -0.31 0.00 0.00 0.00 174.94 175.01 3ie2 s TYR 248 N 1.29 3.40 -0.91 3.97 1.51 0.91 -1.09 117.35 126.43 3ie2 s TYR 248 Ca 0.00 0.56 -0.14 0.00 -1.01 0.00 0.00 57.07 56.48 3ie2 s TYR 248 Cb -0.19 -2.42 0.21 0.00 -0.11 0.00 0.00 41.96 39.45 3ie2 s TYR 248 CO -0.09 0.09 0.92 -1.17 -1.11 0.00 0.00 175.55 174.19 3ie2 s LEU 249 N 0.96 6.29 -1.48 -1.29 2.96 0.21 -1.81 118.68 124.52 3ie2 s LEU 249 Ca 0.17 -2.72 -0.08 0.00 -0.22 0.00 0.00 54.13 51.27 3ie2 s LEU 249 Cb -0.14 -2.26 -0.02 0.00 0.50 0.00 0.00 46.19 44.27 3ie2 s LEU 249 CO 0.06 -0.63 2.79 -0.67 -1.32 0.00 0.00 176.35 176.58 3ie2 n ASP 250 N 4.36 8.46 -3.27 3.68 2.03 -0.25 -1.85 116.55 129.70 3ie2 n ASP 250 Ca 0.18 -2.76 -0.04 0.00 0.52 0.00 0.00 54.79 52.69 3ie2 n ASP 250 Cb 0.46 -1.49 -0.05 0.00 -0.72 0.00 0.00 41.12 39.32 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 1.56 -0.33 0.34 1.67 0.15 -1.26 -4.55 113.70 111.29 3ie2 s SER 251 Ca 0.65 0.17 0.08 0.00 0.70 0.00 0.00 55.95 57.55 3ie2 s SER 251 Cb 0.19 1.47 0.78 0.00 -1.71 0.00 0.00 66.02 66.75 3ie2 s SER 251 CO -0.07 -0.31 1.86 -0.65 1.20 0.00 0.00 173.24 175.27 3ie2 h PRO 252 N 8.11 0.71 -0.07 5.44 0.11 -1.83 -1.54 132.00 142.94 3ie2 h PRO 252 Ca -0.14 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.90 3ie2 h PRO 252 Cb 1.15 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 3ie2 h PRO 252 CO 0.25 0.47 -0.05 1.98 -0.21 0.00 0.00 178.00 180.44 3ie2 h MET 253 N 0.73 0.15 -1.02 1.05 1.85 -1.96 -1.95 114.93 113.78 3ie2 h MET 253 Ca 0.46 -0.07 0.27 0.00 -0.61 0.00 0.00 59.70 59.74 3ie2 h MET 253 Cb 0.70 -0.00 -0.12 0.00 0.43 0.00 0.00 31.60 32.61 3ie2 h MET 253 CO -0.22 0.57 0.62 0.00 -0.40 0.00 0.00 176.91 177.48 3ie2 h ALA 254 N 0.58 1.95 -0.13 0.39 0.00 -1.51 0.12 119.26 120.67 3ie2 h ALA 254 Ca 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3ie2 h ALA 254 Cb 0.53 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3ie2 h ALA 254 CO 0.01 -0.43 -0.01 0.78 0.00 0.00 0.00 179.25 179.60 3ie2 h GLY 255 N 0.49 0.26 0.96 0.00 0.00 -1.06 -0.04 103.07 103.67 3ie2 h GLY 255 Ca 0.65 -0.20 0.05 0.00 0.00 0.00 0.00 47.33 47.83 3ie2 h GLY 255 CO -0.44 0.18 0.56 3.21 0.00 0.00 0.00 176.54 180.05 3ie2 h ARG 256 N -0.05 0.98 -0.50 4.80 3.08 -0.06 0.17 114.38 122.81 3ie2 h ARG 256 Ca 0.04 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 3ie2 h ARG 256 Cb 0.40 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3ie2 h ARG 256 CO 0.01 0.65 -0.19 0.28 -1.07 0.00 0.00 179.97 179.65 3ie2 h VAL 257 N 1.01 1.27 -0.24 2.04 2.07 -0.92 -2.85 116.25 118.63 3ie2 h VAL 257 Ca 0.36 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.55 3ie2 h VAL 257 Cb 0.13 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3ie2 h VAL 257 CO -0.12 0.47 0.04 0.25 0.02 0.00 0.00 177.57 178.23 3ie2 h LEU 258 N 0.87 -0.00 -1.45 2.57 5.85 0.10 -1.73 115.31 121.53 3ie2 h LEU 258 Ca 0.12 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.98 3ie2 h LEU 258 Cb 0.77 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.81 3ie2 h LEU 258 CO 0.06 0.03 0.49 0.28 -0.34 0.00 0.00 178.44 178.97 3ie2 h SER 259 N 0.13 0.55 0.83 1.25 0.02 -0.64 -2.25 113.55 113.44 3ie2 h SER 259 Ca 0.11 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.94 3ie2 h SER 259 Cb 0.11 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 3ie2 h SER 259 CO -0.15 0.32 -0.65 0.25 -1.14 0.00 0.00 176.83 175.46 3ie2 h LEU 260 N 0.61 0.00 -0.96 5.07 5.85 -1.10 -3.35 115.31 121.42 3ie2 h LEU 260 Ca 0.35 0.00 0.18 0.00 0.84 0.00 0.00 57.88 59.26 3ie2 h LEU 260 Cb 0.55 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.47 3ie2 h LEU 260 CO -0.13 0.65 0.55 1.88 -0.34 0.00 0.00 178.44 181.06 3ie2 h TYR 261 N 0.00 0.97 -0.38 1.25 0.99 -0.82 -1.03 116.97 117.95 3ie2 h TYR 261 Ca -0.01 0.03 0.06 0.00 2.00 0.00 0.00 58.73 60.82 3ie2 h TYR 261 Cb 1.24 -0.28 -0.02 0.00 1.00 0.00 0.00 36.73 38.67 3ie2 h TYR 261 CO 0.00 0.20 0.26 -1.35 -0.00 0.00 0.00 178.16 177.27 3ie2 h PRO 262 N 0.70 0.24 -0.00 4.88 0.11 -1.73 0.31 132.00 136.50 3ie2 h PRO 262 Ca 0.55 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.65 3ie2 h PRO 262 Cb 0.87 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3ie2 h PRO 262 CO -0.39 0.16 0.00 0.54 -0.21 0.00 0.00 178.00 178.09 3ie2 n ARG 263 N -4.47 1.00 -0.09 1.05 1.74 -0.39 -3.20 116.66 112.31 3ie2 n ARG 263 Ca 0.05 -0.01 0.05 0.00 -0.77 0.00 0.00 57.85 57.17 3ie2 n ARG 263 Cb 0.28 -1.31 0.09 0.00 -1.02 0.00 0.00 32.46 30.50 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 -0.80 2.40 -0.34 0.55 4.32 0.09 -4.80 117.00 118.42 3ie2 n LEU 264 Ca 0.15 -2.46 0.25 0.00 -0.02 0.00 0.00 56.01 53.93 3ie2 n LEU 264 Cb 0.07 -0.22 0.50 0.00 -1.62 0.00 0.00 43.42 42.14 3ie2 n LEU 264 CO 0.11 0.61 1.13 1.62 -1.22 0.00 0.00 177.39 179.65 3ie2 h VAL 265 N 0.40 0.29 0.00 4.08 3.04 -1.52 0.32 116.25 122.87 3ie2 h VAL 265 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 3ie2 h VAL 265 Cb 0.78 -0.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 3ie2 h VAL 265 CO 0.02 0.06 0.00 -2.11 -1.01 0.00 0.00 177.57 174.53 3ie2 n ARG 266 N -4.99 0.25 0.00 4.17 1.85 -1.26 -2.18 116.66 114.50 3ie2 n ARG 266 Ca 0.32 0.12 0.10 0.00 -1.00 0.00 0.00 57.85 57.39 3ie2 n ARG 266 Cb 1.03 -1.50 -0.03 0.00 -1.05 0.00 0.00 32.46 30.90 3ie2 n ARG 266 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3ie2 n TYR 267 N -1.22 0.00 -2.58 2.89 4.01 0.11 -4.98 117.16 115.40 3ie2 n TYR 267 Ca 0.07 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.62 3ie2 n TYR 267 Cb 0.09 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.22 3ie2 n TYR 267 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3ie2 n PHE 268 N -0.42 -2.98 -1.29 -0.72 3.72 -0.92 -4.56 117.46 110.28 3ie2 n PHE 268 Ca 0.07 -1.48 -0.29 0.00 -0.05 0.00 0.00 57.45 55.70 3ie2 n PHE 268 Cb 0.40 -0.60 0.17 0.00 -0.94 0.00 0.00 39.48 38.51 3ie2 n PHE 268 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3ie2 s SER 269 N -4.37 2.76 0.23 4.37 1.04 0.86 -4.57 113.70 114.03 3ie2 s SER 269 Ca 0.55 1.05 -0.04 0.00 0.48 0.00 0.00 55.95 57.99 3ie2 s SER 269 Cb -0.03 -1.66 0.24 0.00 0.10 0.00 0.00 66.02 64.67 3ie2 s SER 269 CO 0.36 -3.03 1.70 -0.33 0.98 0.00 0.00 173.24 172.92 3ie2 h GLU 270 N -1.82 0.85 -0.50 4.02 3.07 -1.90 -1.08 114.58 117.22 3ie2 h GLU 270 Ca -0.53 -0.27 0.03 0.00 -0.50 0.00 0.00 59.36 58.09 3ie2 h GLU 270 Cb 1.33 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.13 3ie2 h GLU 270 CO 0.58 0.89 0.29 1.49 -1.40 0.00 0.00 179.01 180.86 3ie2 h GLU 271 N 0.77 0.57 0.12 2.33 4.81 -1.91 -0.04 114.58 121.24 3ie2 h GLU 271 Ca 0.14 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3ie2 h GLU 271 Cb 0.56 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3ie2 h GLU 271 CO 0.03 0.38 -0.06 0.28 -0.73 0.00 0.00 179.01 178.91 3ie2 h VAL 272 N 0.59 1.02 -0.40 0.32 2.07 -1.73 -3.04 116.25 115.09 3ie2 h VAL 272 Ca 0.20 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.18 3ie2 h VAL 272 Cb 0.03 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3ie2 h VAL 272 CO -0.10 0.15 0.27 1.56 0.02 0.00 0.00 177.57 179.47 3ie2 h GLN 273 N -0.46 0.23 -0.57 1.57 4.20 -1.02 -1.17 115.11 117.90 3ie2 h GLN 273 Ca -0.02 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.74 3ie2 h GLN 273 Cb 0.37 -0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 3ie2 h GLN 273 CO 0.03 0.16 0.27 0.00 -0.67 0.00 0.00 178.83 178.62 3ie2 h ALA 274 N 1.79 0.74 -0.06 3.87 0.00 -0.88 0.78 119.26 125.49 3ie2 h ALA 274 Ca 0.18 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3ie2 h ALA 274 Cb 0.40 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3ie2 h ALA 274 CO -0.03 -0.09 0.04 0.45 0.00 0.00 0.00 179.25 179.61 3ie2 h HIS 275 N 0.51 0.08 -0.90 0.00 3.86 -1.21 -1.97 115.15 115.53 3ie2 h HIS 275 Ca 0.26 -0.00 0.15 0.00 -1.16 0.00 0.00 60.37 59.62 3ie2 h HIS 275 Cb 0.21 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.59 3ie2 h HIS 275 CO -0.11 0.09 0.58 0.74 0.86 0.00 0.00 177.93 180.09 3ie2 h PHE 276 N 0.04 0.82 -0.29 2.45 0.04 -1.15 -1.25 116.94 117.61 3ie2 h PHE 276 Ca 0.02 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.76 3ie2 h PHE 276 Cb 0.04 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.92 3ie2 h PHE 276 CO -0.06 0.29 -0.06 -0.07 -0.60 0.00 0.00 178.31 177.81 3ie2 h LEU 277 N 0.68 0.55 -0.13 1.54 4.07 -0.41 -1.76 115.31 119.85 3ie2 h LEU 277 Ca 0.46 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 58.06 3ie2 h LEU 277 Cb 0.75 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.34 3ie2 h LEU 277 CO -0.21 0.77 0.00 0.00 -1.08 0.00 0.00 178.44 177.92 3ie2 n GLN 278 N -4.51 0.33 -1.06 1.13 1.13 -0.52 -4.77 117.38 109.10 3ie2 n GLN 278 Ca -0.03 0.00 -0.02 0.00 -1.94 0.00 0.00 57.00 55.01 3ie2 n GLN 278 Cb 0.30 -1.02 -0.01 0.00 0.11 0.00 0.00 30.24 29.62 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 -0.10 0.55 3.51 1.08 0.00 -0.66 -5.05 105.19 104.51 3ie2 n GLY 279 Ca 0.00 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.58 1.82 -0.60 1.61 1.02 -0.89 -5.00 119.74 116.12 3ie2 s LYS 280 Ca 0.00 -1.50 -0.08 0.00 0.02 0.00 0.00 55.97 54.42 3ie2 s LYS 280 Cb 0.00 -1.96 0.16 0.00 -0.52 0.00 0.00 37.83 35.51 3ie2 s LYS 280 CO 0.00 0.39 0.47 1.21 -0.92 0.00 0.00 175.35 176.50 3ie2 s ASN 281 N -3.05 5.77 0.00 2.83 3.84 -1.26 -3.06 114.94 120.01 3ie2 s ASN 281 Ca 0.26 -2.42 0.03 0.00 0.21 0.00 0.00 52.86 50.94 3ie2 s ASN 281 Cb -0.07 -2.00 0.18 0.00 -0.55 0.00 0.00 41.25 38.81 3ie2 s ASN 281 CO 0.14 -0.55 0.74 -0.81 -2.79 0.00 0.00 177.10 173.82 3ie2 n PRO 282 N 4.20 0.08 -0.30 0.43 -0.04 -1.26 -2.00 135.00 136.11 3ie2 n PRO 282 Ca 0.03 0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.66 3ie2 n PRO 282 Cb 0.41 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.08 0.79 -3.65 0.54 3.72 -1.26 -4.17 117.46 112.35 3ie2 n PHE 283 Ca 0.02 -0.43 -0.28 0.00 -0.05 0.00 0.00 57.45 56.71 3ie2 n PHE 283 Cb 0.01 -0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.44 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 -1.11 1.58 1.11 -1.08 0.52 -0.85 -4.67 118.95 114.45 3ie2 s ARG 284 Ca 0.43 -2.57 -0.13 0.00 -0.52 0.00 0.00 55.73 52.95 3ie2 s ARG 284 Cb 0.23 -2.37 0.25 0.00 0.52 0.00 0.00 34.95 33.58 3ie2 s ARG 284 CO 0.31 -1.30 1.05 -1.25 0.02 0.00 0.00 175.30 174.13 3ie2 s PRO 285 N -0.47 -0.44 0.20 3.54 0.04 -1.26 -4.91 135.00 131.70 3ie2 s PRO 285 Ca 0.27 0.67 -0.32 0.00 0.04 0.00 0.00 61.00 61.65 3ie2 s PRO 285 Cb -0.05 -1.62 -0.11 0.00 0.04 0.00 0.00 34.50 32.75 3ie2 s PRO 285 CO -0.15 -3.36 1.69 0.00 0.04 0.00 0.00 177.00 175.23 3ie2 s ALA 286 N -2.68 3.90 -0.30 8.56 0.00 -1.26 -2.64 121.76 127.35 3ie2 s ALA 286 Ca 0.67 1.54 0.00 0.00 0.00 0.00 0.00 51.96 54.17 3ie2 s ALA 286 Cb -0.22 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.21 3ie2 s ALA 286 CO 0.62 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.88 3ie2 n GLY 287 N 3.94 0.60 3.77 0.00 0.00 -1.26 -4.67 105.19 107.56 3ie2 n GLY 287 Ca 0.16 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.64 4.32 -0.08 0.99 2.96 -1.08 -1.97 118.68 123.19 3ie2 s LEU 288 Ca 0.00 2.48 -0.05 0.00 -0.22 0.00 0.00 54.13 56.34 3ie2 s LEU 288 Cb 0.00 -3.83 0.03 0.00 0.50 0.00 0.00 46.19 42.89 3ie2 s LEU 288 CO 0.00 -0.57 0.18 -0.70 -1.32 0.00 0.00 176.35 173.94 3ie2 s GLU 289 N -2.00 0.16 -0.43 1.98 2.56 -0.25 -4.92 118.70 115.80 3ie2 s GLU 289 Ca 0.53 0.37 -0.12 0.00 0.00 0.00 0.00 54.97 55.74 3ie2 s GLU 289 Cb -0.35 -0.06 0.06 0.00 2.00 0.00 0.00 34.13 35.78 3ie2 s GLU 289 CO 0.45 -0.11 0.30 0.08 -0.56 0.00 0.00 175.26 175.41 3ie2 s VAL 290 N 0.79 4.76 -0.38 3.70 1.01 -1.26 0.66 120.40 129.68 3ie2 s VAL 290 Ca -0.06 -1.09 -0.29 0.00 0.00 0.00 0.00 61.98 60.54 3ie2 s VAL 290 Cb -0.07 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.51 3ie2 s VAL 290 CO -0.04 -0.45 1.42 -0.69 0.00 0.00 0.00 175.10 175.34 3ie2 s VAL 291 N 1.55 3.91 -0.03 2.92 1.01 -0.77 -4.93 120.40 124.06 3ie2 s VAL 291 Ca 0.03 0.95 -0.23 0.00 0.00 0.00 0.00 61.98 62.74 3ie2 s VAL 291 Cb -0.22 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 31.79 3ie2 s VAL 291 CO 0.05 -0.67 1.08 -0.33 0.00 0.00 0.00 175.10 175.23 3ie2 h GLU 292 N 10.58 0.25 0.00 2.72 4.39 -1.95 -3.36 114.58 127.21 3ie2 h GLU 292 Ca -0.28 -0.25 -0.37 0.00 0.34 0.00 0.00 59.36 58.80 3ie2 h GLU 292 Cb 1.11 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.77 3ie2 h GLU 292 CO 1.07 0.95 -0.24 0.72 -1.16 0.00 0.00 179.01 180.35 3ie2 n HIS 293 N -4.44 0.19 -0.04 4.33 8.25 -1.26 -4.67 115.22 117.59 3ie2 n HIS 293 Ca -0.10 -1.42 -0.13 0.00 -0.26 0.00 0.00 57.72 55.81 3ie2 n HIS 293 Cb 0.53 -0.21 -0.09 0.00 1.12 0.00 0.00 29.99 31.34 3ie2 n HIS 293 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3ie2 h THR 294 N 0.98 1.39 -0.17 1.59 2.02 -1.98 -2.62 112.91 114.13 3ie2 h THR 294 Ca -0.23 -1.34 0.04 0.00 0.77 0.00 0.00 66.41 65.65 3ie2 h THR 294 Cb 0.74 2.12 -0.07 0.00 -1.74 0.00 0.00 68.15 69.19 3ie2 h THR 294 CO 0.38 0.37 -0.44 -0.33 0.37 0.00 0.00 175.52 175.87 3ie2 h GLU 295 N -0.26 -0.47 -0.92 6.66 3.07 -1.99 0.49 114.58 121.16 3ie2 h GLU 295 Ca 0.01 0.03 -0.00 0.00 -0.50 0.00 0.00 59.36 58.90 3ie2 h GLU 295 Cb 0.65 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.62 3ie2 h GLU 295 CO 0.02 -0.31 0.56 0.00 -1.40 0.00 0.00 179.01 177.89 3ie2 h ALA 296 N 0.10 1.18 -0.78 3.43 0.00 -2.00 -0.09 119.26 121.10 3ie2 h ALA 296 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ie2 h ALA 296 Cb 0.63 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3ie2 h ALA 296 CO -0.43 0.63 0.49 1.03 0.00 0.00 0.00 179.25 180.98 3ie2 h SER 297 N 1.27 0.91 -0.15 0.00 0.87 -0.81 -2.58 113.55 113.06 3ie2 h SER 297 Ca 0.33 -0.04 -0.18 0.00 -1.23 0.00 0.00 61.79 60.67 3ie2 h SER 297 Cb -0.06 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 61.68 3ie2 h SER 297 CO -0.06 0.68 -0.59 0.11 -0.53 0.00 0.00 176.83 176.44 3ie2 h LYS 298 N 1.06 0.67 -1.00 2.24 1.57 0.49 -3.01 116.57 118.59 3ie2 h LYS 298 Ca 0.28 -0.52 0.29 0.00 -1.87 0.00 0.00 60.65 58.83 3ie2 h LYS 298 Cb -0.08 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.29 3ie2 h LYS 298 CO -0.06 1.14 0.71 0.00 -0.57 0.00 0.00 179.45 180.67 3ie2 h ALA 299 N 0.54 2.92 -0.46 3.86 0.00 -0.79 0.37 119.26 125.69 3ie2 h ALA 299 Ca -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3ie2 h ALA 299 Cb 1.22 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 3ie2 h ALA 299 CO 0.12 -1.20 0.18 -0.07 0.00 0.00 0.00 179.25 178.28 3ie2 h LEU 300 N 0.02 0.59 -1.43 0.00 3.38 -1.32 -1.75 115.31 114.80 3ie2 h LEU 300 Ca 0.48 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.46 3ie2 h LEU 300 Cb 1.88 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.43 3ie2 h LEU 300 CO -0.01 0.55 0.47 0.78 0.09 0.00 0.00 178.44 180.31 3ie2 h ASN 301 N 0.65 0.59 0.17 -0.43 2.35 -0.38 -3.08 115.58 115.45 3ie2 h ASN 301 Ca 0.16 0.01 -0.33 0.00 -0.55 0.00 0.00 56.30 55.59 3ie2 h ASN 301 Cb 0.14 -0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.40 3ie2 h ASN 301 CO -0.01 0.37 -1.64 0.03 -1.65 0.00 0.00 177.43 174.53 3ie2 h ARG 302 N 0.67 0.35 -7.00 0.81 3.08 -1.43 -3.47 114.38 107.39 3ie2 h ARG 302 Ca 0.32 -0.60 -0.55 0.00 0.07 0.00 0.00 59.98 59.21 3ie2 h ARG 302 Cb 0.37 0.22 0.13 0.00 0.08 0.00 0.00 29.97 30.78 3ie2 h ARG 302 CO -0.11 1.29 0.62 0.00 -1.07 0.00 0.00 179.97 180.70 3ie2 n ALA 303 N -2.89 1.69 -1.61 0.04 0.00 -0.73 -4.98 120.51 112.03 3ie2 n ALA 303 Ca -0.25 0.17 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 3ie2 n ALA 303 Cb 1.02 -2.36 0.11 0.00 0.00 0.00 0.00 19.45 18.23 3ie2 n ALA 303 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ie2 s PRO 304 N -2.69 1.61 0.15 0.00 0.04 -1.26 -4.95 135.00 127.90 3ie2 s PRO 304 Ca 0.67 0.38 -0.03 0.00 0.04 0.00 0.00 61.00 62.07 3ie2 s PRO 304 Cb -0.43 -1.89 0.04 0.00 0.04 0.00 0.00 34.50 32.26 3ie2 s PRO 304 CO 0.53 -1.89 0.21 0.41 0.04 0.00 0.00 177.00 176.29 3ie2 n GLY 305 N -2.36 -1.18 3.80 0.56 0.00 -1.24 -4.77 105.19 100.01 3ie2 n GLY 305 Ca 0.07 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.45 4.36 0.25 1.61 0.04 -1.25 -4.89 135.00 131.67 3ie2 s PRO 306 Ca 0.12 0.96 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 3ie2 s PRO 306 Cb -0.00 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.46 3ie2 s PRO 306 CO 0.08 0.50 0.43 0.00 0.04 0.00 0.00 177.00 178.05 3ie2 s MET 307 N -1.54 1.53 -0.11 4.56 0.23 -1.21 -4.11 119.30 118.64 3ie2 s MET 307 Ca 0.38 -1.33 -0.01 0.00 -1.03 0.00 0.00 55.69 53.70 3ie2 s MET 307 Cb -0.19 0.44 0.03 0.00 -1.53 0.00 0.00 34.83 33.58 3ie2 s MET 307 CO 0.23 -0.62 -0.04 0.08 -2.03 0.00 0.00 175.02 172.63 3ie2 s VAL 308 N -3.97 0.79 -0.04 5.16 1.01 -0.59 -2.10 120.40 120.66 3ie2 s VAL 308 Ca 0.25 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.09 3ie2 s VAL 308 Cb 0.00 -0.89 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3ie2 s VAL 308 CO 0.10 0.28 -0.19 -0.69 0.00 0.00 0.00 175.10 174.60 3ie2 s VAL 309 N 1.80 2.60 -0.09 2.92 1.01 -0.09 -0.06 120.40 128.49 3ie2 s VAL 309 Ca 0.04 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.15 3ie2 s VAL 309 Cb -0.13 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3ie2 s VAL 309 CO -0.07 0.58 -0.13 -0.76 0.00 0.00 0.00 175.10 174.72 3ie2 s LEU 310 N -0.58 1.63 0.10 3.92 1.02 -0.75 -1.04 118.68 122.99 3ie2 s LEU 310 Ca 0.08 -0.36 -0.25 0.00 0.02 0.00 0.00 54.13 53.63 3ie2 s LEU 310 Cb -0.11 -0.95 0.08 0.00 0.02 0.00 0.00 46.19 45.23 3ie2 s LEU 310 CO 0.01 0.01 0.68 0.00 0.02 0.00 0.00 176.35 177.07 3ie2 s ALA 311 N 0.89 -1.67 0.41 4.21 0.00 -0.77 -1.09 121.76 123.74 3ie2 s ALA 311 Ca -0.10 0.69 0.04 0.00 0.00 0.00 0.00 51.96 52.59 3ie2 s ALA 311 Cb -0.15 0.69 0.04 0.00 0.00 0.00 0.00 23.12 23.70 3ie2 s ALA 311 CO 0.01 -0.72 0.31 0.41 0.00 0.00 0.00 175.76 175.77 3ie2 n GLY 312 N -0.24 2.80 3.61 0.00 0.00 -1.23 0.22 105.19 110.35 3ie2 n GLY 312 Ca -0.15 -2.26 -0.37 0.00 0.00 0.00 0.00 46.02 43.23 3ie2 n GLY 312 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3ie2 n SER 313 N -1.89 0.68 0.26 1.61 2.88 -0.26 -1.17 113.62 115.73 3ie2 n SER 313 Ca -0.01 0.77 0.10 0.00 -1.33 0.00 0.00 58.87 58.40 3ie2 n SER 313 Cb 0.46 -1.39 0.69 0.00 -0.75 0.00 0.00 64.21 63.23 3ie2 n SER 313 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3ie2 h GLY 314 N 0.31 0.00 -2.40 0.46 0.00 -1.81 -2.98 103.07 96.65 3ie2 h GLY 314 Ca -0.48 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.57 3ie2 h GLY 314 CO 0.50 0.00 -0.37 1.03 0.00 0.00 0.00 176.54 177.70 3ie2 n MET 315 N -4.06 2.37 -2.04 4.80 2.81 -1.26 -4.46 117.12 115.28 3ie2 n MET 315 Ca -0.03 -3.54 -0.13 0.00 -1.81 0.00 0.00 57.70 52.20 3ie2 n MET 315 Cb 0.17 -1.93 -0.02 0.00 -0.71 0.00 0.00 33.22 30.72 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 -0.98 -1.09 0.25 4.03 4.77 -1.13 -4.67 117.00 118.18 3ie2 n LEU 316 Ca 0.34 0.23 0.14 0.00 -0.03 0.00 0.00 56.01 56.70 3ie2 n LEU 316 Cb 0.89 -2.09 0.49 0.00 -2.33 0.00 0.00 43.42 40.37 3ie2 n LEU 316 CO 0.23 -0.33 0.89 0.00 -1.33 0.00 0.00 177.39 176.84 3ie2 h ALA 317 N 0.92 0.99 0.00 -1.18 0.00 -1.93 -3.45 119.26 114.62 3ie2 h ALA 317 Ca -0.29 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3ie2 h ALA 317 Cb 1.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3ie2 h ALA 317 CO 0.37 0.09 0.00 0.41 0.00 0.00 0.00 179.25 180.12 3ie2 n GLY 318 N 0.35 -0.70 0.34 0.00 0.00 -1.26 -5.04 105.19 98.87 3ie2 n GLY 318 Ca 0.01 -0.91 0.04 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 -1.60 0.36 -0.02 0.00 -1.26 -1.10 105.19 101.57 3ie2 n GLY 319 Ca 0.00 -1.44 0.24 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.31 0.33 -0.30 1.61 3.08 -1.89 -1.38 114.38 115.52 3ie2 h ARG 320 Ca -0.00 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.12 3ie2 h ARG 320 Cb 0.31 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3ie2 h ARG 320 CO 0.00 0.22 0.29 0.97 -1.07 0.00 0.00 179.97 180.38 3ie2 h ILE 321 N 0.34 0.54 -0.25 2.04 6.09 -1.37 -1.32 117.51 123.59 3ie2 h ILE 321 Ca 0.72 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 64.10 3ie2 h ILE 321 Cb 1.69 0.78 -0.00 0.00 0.47 0.00 0.00 36.82 39.76 3ie2 h ILE 321 CO -0.54 0.00 -0.27 -0.07 -3.07 0.00 0.00 178.15 174.20 3ie2 h LEU 322 N 0.00 0.67 0.49 2.19 3.38 -1.46 -0.34 115.31 120.24 3ie2 h LEU 322 Ca 0.14 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 3ie2 h LEU 322 Cb 0.71 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3ie2 h LEU 322 CO -0.00 1.02 -0.28 0.45 0.09 0.00 0.00 178.44 179.72 3ie2 h HIS 323 N 0.34 -0.74 -1.01 1.13 3.86 -1.40 0.26 115.15 117.59 3ie2 h HIS 323 Ca 0.04 -0.01 0.24 0.00 -1.16 0.00 0.00 60.37 59.48 3ie2 h HIS 323 Cb 0.84 0.26 -0.10 0.00 1.06 0.00 0.00 27.41 29.47 3ie2 h HIS 323 CO 0.08 -0.44 0.64 0.45 0.86 0.00 0.00 177.93 179.52 3ie2 h HIS 324 N -0.73 0.80 0.49 2.45 3.86 -1.39 -1.64 115.15 119.00 3ie2 h HIS 324 Ca -0.06 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 3ie2 h HIS 324 Cb 0.58 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.83 3ie2 h HIS 324 CO -0.08 0.10 -0.24 -0.07 0.86 0.00 0.00 177.93 178.51 3ie2 h LEU 325 N 0.50 -0.56 -0.78 2.43 4.07 -0.04 -0.15 115.31 120.79 3ie2 h LEU 325 Ca 0.59 -0.07 0.18 0.00 0.08 0.00 0.00 57.88 58.65 3ie2 h LEU 325 Cb 1.31 0.14 -0.14 0.00 1.08 0.00 0.00 40.66 43.05 3ie2 h LEU 325 CO -0.34 -0.22 -0.04 0.50 -1.08 0.00 0.00 178.44 177.26 3ie2 h LYS 326 N -0.93 0.07 -0.16 1.13 3.64 0.40 0.08 116.57 120.80 3ie2 h LYS 326 Ca -0.07 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3ie2 h LYS 326 Cb 0.60 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3ie2 h LYS 326 CO 0.11 0.05 0.00 0.72 -2.27 0.00 0.00 179.45 178.06 3ie2 n HIS 327 N -5.39 0.20 -0.00 1.91 8.25 -0.89 -4.38 115.22 114.91 3ie2 n HIS 327 Ca 0.14 -0.10 0.02 0.00 -0.26 0.00 0.00 57.72 57.52 3ie2 n HIS 327 Cb 0.48 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.55 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 1.28 -0.22 0.21 -1.41 0.00 -0.07 -4.65 105.19 100.33 3ie2 n GLY 328 Ca 0.17 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3ie2 n GLY 328 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ie2 h LEU 329 N 0.00 0.00 -0.12 0.99 4.07 -1.32 -3.27 115.31 115.65 3ie2 h LEU 329 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3ie2 h LEU 329 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 3ie2 h LEU 329 CO 0.00 0.00 -0.10 -1.54 -1.08 0.00 0.00 178.44 175.72 3ie2 n SER 330 N -2.86 0.29 -4.37 -0.43 3.41 -1.20 -0.15 113.62 108.33 3ie2 n SER 330 Ca 0.03 -0.29 -0.36 0.00 -0.26 0.00 0.00 58.87 57.99 3ie2 n SER 330 Cb 0.39 -0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 64.06 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 -2.62 4.81 0.00 4.04 3.68 -1.23 -4.54 116.67 120.81 3ie2 s ASP 331 Ca 0.25 -0.40 0.07 0.00 2.13 0.00 0.00 52.55 54.60 3ie2 s ASP 331 Cb 0.20 -1.84 0.38 0.00 -1.45 0.00 0.00 42.92 40.21 3ie2 s ASP 331 CO 0.50 -0.07 1.09 -0.81 0.13 0.00 0.00 175.17 176.01 3ie2 n PRO 332 N 4.86 0.11 0.19 4.34 -0.04 -1.26 -1.82 135.00 141.39 3ie2 n PRO 332 Ca -0.17 0.20 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 3ie2 n PRO 332 Cb 0.50 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.63 3ie2 n PRO 332 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ie2 h ARG 333 N 0.00 0.00 -7.27 0.54 3.08 -1.93 -3.40 114.38 105.39 3ie2 h ARG 333 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 3ie2 h ARG 333 Cb 0.07 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.21 3ie2 h ARG 333 CO 0.00 0.00 0.19 -0.80 -1.07 0.00 0.00 179.97 178.29 3ie2 s ASN 334 N -5.89 4.36 -0.12 7.04 0.01 -0.75 -4.34 114.94 115.24 3ie2 s ASN 334 Ca 0.06 0.05 -0.06 0.00 -0.71 0.00 0.00 52.86 52.20 3ie2 s ASN 334 Cb 0.07 -0.50 0.05 0.00 0.41 0.00 0.00 41.25 41.28 3ie2 s ASN 334 CO 0.68 -1.87 0.28 0.00 -1.51 0.00 0.00 177.10 174.69 3ie2 s ALA 335 N -3.27 -0.67 -0.12 0.60 0.00 -0.87 -2.07 121.76 115.36 3ie2 s ALA 335 Ca 0.65 1.11 -0.16 0.00 0.00 0.00 0.00 51.96 53.56 3ie2 s ALA 335 Cb -0.07 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 3ie2 s ALA 335 CO 0.45 -0.25 0.40 -1.17 0.00 0.00 0.00 175.76 175.20 3ie2 s LEU 336 N 1.38 4.29 -0.24 0.00 0.20 0.20 -1.09 118.68 123.43 3ie2 s LEU 336 Ca -0.09 0.73 -0.00 0.00 0.69 0.00 0.00 54.13 55.46 3ie2 s LEU 336 Cb -0.10 -2.56 0.07 0.00 -0.43 0.00 0.00 46.19 43.16 3ie2 s LEU 336 CO -0.09 0.08 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.35 3ie2 s VAL 337 N 0.32 1.27 -0.18 1.68 1.01 0.90 -0.70 120.40 124.71 3ie2 s VAL 337 Ca 0.22 -1.18 -0.24 0.00 0.00 0.00 0.00 61.98 60.78 3ie2 s VAL 337 Cb -0.15 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 3ie2 s VAL 337 CO 0.08 -0.24 0.80 -0.36 0.00 0.00 0.00 175.10 175.38 3ie2 s PHE 338 N 1.49 3.40 -0.26 5.22 0.08 0.22 -4.08 117.98 124.05 3ie2 s PHE 338 Ca -0.02 1.19 0.14 0.00 0.12 0.00 0.00 56.93 58.36 3ie2 s PHE 338 Cb -0.18 -2.98 0.33 0.00 -0.57 0.00 0.00 43.02 39.61 3ie2 s PHE 338 CO -0.09 -0.25 1.24 1.33 -0.10 0.00 0.00 175.22 177.35 3ie2 n VAL 339 N 4.79 1.73 -4.23 -0.44 0.24 -1.26 0.35 118.33 119.51 3ie2 n VAL 339 Ca 0.04 -1.70 -0.14 0.00 -2.04 0.00 0.00 64.34 60.49 3ie2 n VAL 339 Cb 0.49 0.01 -0.05 0.00 -1.47 0.00 0.00 33.84 32.81 3ie2 n VAL 339 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3ie2 n GLY 340 N -0.62 3.35 3.73 7.63 0.00 -1.26 -4.50 105.19 113.52 3ie2 n GLY 340 Ca 0.14 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.90 3ie2 n GLY 340 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ie2 s TYR 341 N -2.81 3.60 -0.26 1.61 6.14 -1.26 -4.76 117.35 119.60 3ie2 s TYR 341 Ca 0.23 1.14 -0.08 0.00 0.64 0.00 0.00 57.07 59.00 3ie2 s TYR 341 Cb 0.01 -2.67 -0.03 0.00 0.42 0.00 0.00 41.96 39.69 3ie2 s TYR 341 CO 0.16 0.20 0.10 -0.65 0.64 0.00 0.00 175.55 176.00 3ie2 s GLN 342 N 0.40 3.62 1.19 4.97 -1.52 -1.26 -4.87 119.66 122.19 3ie2 s GLN 342 Ca 0.32 -0.51 -0.16 0.00 -1.95 0.00 0.00 55.36 53.06 3ie2 s GLN 342 Cb -0.17 -3.40 0.23 0.00 -0.22 0.00 0.00 33.01 29.44 3ie2 s GLN 342 CO 0.16 -0.23 0.56 -0.35 -0.25 0.00 0.00 175.29 175.17 3ie2 n PRO 343 N 4.95 -2.50 -3.13 2.91 -0.04 -1.26 -4.79 135.00 131.14 3ie2 n PRO 343 Ca -0.15 -0.71 -0.38 0.00 -0.04 0.00 0.00 63.50 62.21 3ie2 n PRO 343 Cb 0.51 -1.91 -0.06 0.00 -0.04 0.00 0.00 33.50 32.00 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 -4.03 4.33 -0.60 0.54 2.00 -1.26 -4.20 119.66 116.44 3ie2 s GLN 344 Ca 0.62 0.91 -0.01 0.00 -2.00 0.00 0.00 55.36 54.88 3ie2 s GLN 344 Cb -0.18 -3.12 0.00 0.00 0.80 0.00 0.00 33.01 30.51 3ie2 s GLN 344 CO 0.63 0.54 0.50 0.41 -0.50 0.00 0.00 175.29 176.87 3ie2 n GLY 345 N 1.33 0.07 3.28 2.59 0.00 -1.26 -5.03 105.19 106.17 3ie2 n GLY 345 Ca -0.06 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.60 1.50 0.56 -0.02 0.00 -1.26 -5.00 107.32 99.50 3ie2 s GLY 346 Ca 0.04 -1.66 0.25 0.00 0.00 0.00 0.00 44.72 43.35 3ie2 s GLY 346 CO 0.36 -1.30 2.05 -2.00 0.00 0.00 0.00 173.10 172.21 3ie2 h LEU 347 N 2.46 0.00 0.71 0.66 5.85 -1.88 0.13 115.31 123.24 3ie2 h LEU 347 Ca -0.32 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 3ie2 h LEU 347 Cb 1.25 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.28 3ie2 h LEU 347 CO 0.47 0.00 -0.35 1.23 -0.34 0.00 0.00 178.44 179.45 3ie2 h GLY 348 N 0.00 -1.01 0.71 3.75 0.00 -1.88 -1.75 103.07 102.89 3ie2 h GLY 348 Ca 0.15 0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.88 3ie2 h GLY 348 CO -0.00 -0.37 -0.12 0.00 0.00 0.00 0.00 176.54 176.06 3ie2 h ALA 349 N -1.54 -0.13 -0.77 3.60 0.00 -1.49 -2.25 119.26 116.67 3ie2 h ALA 349 Ca -0.10 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3ie2 h ALA 349 Cb 0.74 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.62 3ie2 h ALA 349 CO 0.16 -0.61 -0.51 1.49 0.00 0.00 0.00 179.25 179.78 3ie2 h GLU 350 N -0.20 -0.14 -0.82 0.00 4.81 -0.78 0.50 114.58 117.96 3ie2 h GLU 350 Ca 0.04 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3ie2 h GLU 350 Cb 0.25 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.60 3ie2 h GLU 350 CO -0.11 -0.09 0.48 0.82 -0.73 0.00 0.00 179.01 179.38 3ie2 h ILE 351 N -0.14 0.97 -0.32 2.32 2.04 -1.15 -1.35 117.51 119.88 3ie2 h ILE 351 Ca 0.18 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.79 3ie2 h ILE 351 Cb 0.52 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3ie2 h ILE 351 CO -0.81 0.16 0.22 0.40 0.00 0.00 0.00 178.15 178.11 3ie2 h ILE 352 N 0.85 0.98 0.00 -0.67 2.04 0.51 0.58 117.51 121.79 3ie2 h ILE 352 Ca 0.37 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 66.11 3ie2 h ILE 352 Cb 0.26 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 3ie2 h ILE 352 CO -0.21 0.05 -0.16 0.00 0.00 0.00 0.00 178.15 177.83 3ie2 h ALA 353 N 1.82 1.08 -4.90 1.87 0.00 0.25 -3.47 119.26 115.90 3ie2 h ALA 353 Ca 0.14 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 3ie2 h ALA 353 Cb 0.21 -0.03 0.14 0.00 0.00 0.00 0.00 17.79 18.12 3ie2 h ALA 353 CO -0.03 0.20 -0.63 -2.13 0.00 0.00 0.00 179.25 176.66 3ie2 n ARG 354 N -3.39 -3.97 -0.89 0.00 0.63 0.20 -5.04 116.66 104.21 3ie2 n ARG 354 Ca -0.00 0.68 -0.30 0.00 -0.92 0.00 0.00 57.85 57.31 3ie2 n ARG 354 Cb 0.35 -5.08 0.24 0.00 0.45 0.00 0.00 32.46 28.43 3ie2 n ARG 354 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3ie2 s PRO 355 N -4.72 -1.25 0.49 -0.14 0.04 -1.26 -4.90 135.00 123.26 3ie2 s PRO 355 Ca 0.13 0.19 0.23 0.00 0.04 0.00 0.00 61.00 61.59 3ie2 s PRO 355 Cb -0.02 -1.57 1.26 0.00 0.04 0.00 0.00 34.50 34.22 3ie2 s PRO 355 CO 0.58 -3.79 2.02 -1.00 0.04 0.00 0.00 177.00 174.85 3ie2 h PRO 356 N -2.64 0.00 -2.20 0.56 0.13 -1.96 -3.43 132.00 122.45 3ie2 h PRO 356 Ca -0.49 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 3ie2 h PRO 356 Cb 1.32 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.27 3ie2 h PRO 356 CO 0.40 0.16 0.28 0.00 -0.23 0.00 0.00 178.00 178.61 3ie2 s ALA 357 N -4.26 -1.76 0.10 -0.56 0.00 -1.26 -1.70 121.76 112.32 3ie2 s ALA 357 Ca -0.03 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.15 3ie2 s ALA 357 Cb 0.14 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 3ie2 s ALA 357 CO 0.62 -0.49 -0.24 0.08 0.00 0.00 0.00 175.76 175.73 3ie2 s VAL 358 N -2.00 1.98 -0.20 0.00 1.01 -0.40 -4.88 120.40 115.91 3ie2 s VAL 358 Ca -0.05 -1.57 -0.17 0.00 0.00 0.00 0.00 61.98 60.19 3ie2 s VAL 358 Cb -0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 3ie2 s VAL 358 CO 0.01 0.09 0.47 -0.60 0.00 0.00 0.00 175.10 175.07 3ie2 s ARG 359 N -1.79 4.18 -0.05 2.72 3.52 -1.26 -0.81 118.95 125.45 3ie2 s ARG 359 Ca 0.10 0.32 0.02 0.00 -0.13 0.00 0.00 55.73 56.05 3ie2 s ARG 359 Cb -0.10 -3.56 0.01 0.00 -1.56 0.00 0.00 34.95 29.75 3ie2 s ARG 359 CO 0.04 -0.11 -0.10 0.42 -0.81 0.00 0.00 175.30 174.74 3ie2 s ILE 360 N 1.53 0.92 -1.16 4.11 1.01 -0.56 -4.85 121.20 122.20 3ie2 s ILE 360 Ca 0.22 -0.37 -0.29 0.00 0.00 0.00 0.00 60.65 60.20 3ie2 s ILE 360 Cb -0.15 -0.85 0.03 0.00 0.01 0.00 0.00 42.46 41.50 3ie2 s ILE 360 CO 0.09 0.30 0.71 0.18 0.00 0.00 0.00 174.94 176.22 3ie2 n LEU 361 N 3.71 -1.04 -3.95 2.97 4.77 -1.26 -2.11 117.00 120.09 3ie2 n LEU 361 Ca -0.22 -1.20 -0.26 0.00 -0.03 0.00 0.00 56.01 54.29 3ie2 n LEU 361 Cb 0.52 -1.82 -0.01 0.00 -2.33 0.00 0.00 43.42 39.78 3ie2 n LEU 361 CO 0.25 0.69 -0.16 0.61 -1.33 0.00 0.00 177.39 177.45 3ie2 n GLY 362 N -1.96 -0.28 3.62 -0.72 0.00 -1.26 -4.98 105.19 99.61 3ie2 n GLY 362 Ca -0.12 0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -6.52 0.64 -0.03 1.61 2.56 -0.90 -5.12 118.70 110.93 3ie2 s GLU 363 Ca 0.15 1.30 -0.30 0.00 0.00 0.00 0.00 54.97 56.11 3ie2 s GLU 363 Cb -0.08 0.42 -0.04 0.00 2.00 0.00 0.00 34.13 36.43 3ie2 s GLU 363 CO 0.88 -0.17 1.25 -2.00 -0.56 0.00 0.00 175.26 174.66 3ie2 s GLU 364 N 2.13 4.34 -0.14 4.30 2.56 -1.26 -1.49 118.70 129.13 3ie2 s GLU 364 Ca -0.08 1.76 0.00 0.00 0.00 0.00 0.00 54.97 56.64 3ie2 s GLU 364 Cb -0.08 -3.55 0.02 0.00 2.00 0.00 0.00 34.13 32.52 3ie2 s GLU 364 CO -0.19 -0.47 -0.13 0.54 -0.56 0.00 0.00 175.26 174.44 3ie2 s VAL 365 N 2.20 1.49 0.29 3.70 0.11 0.01 -4.97 120.40 123.24 3ie2 s VAL 365 Ca 0.58 -0.58 -0.30 0.00 -2.93 0.00 0.00 61.98 58.75 3ie2 s VAL 365 Cb -0.27 -1.41 -0.13 0.00 -1.53 0.00 0.00 36.38 33.04 3ie2 s VAL 365 CO 0.23 0.44 1.38 -2.65 -3.33 0.00 0.00 175.10 171.18 3ie2 n PRO 366 N 4.80 2.17 -3.48 1.54 -0.02 -1.26 -1.28 135.00 137.47 3ie2 n PRO 366 Ca -0.16 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.66 3ie2 n PRO 366 Cb 0.50 -2.41 -0.07 0.00 -0.02 0.00 0.00 33.50 31.50 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 -0.48 5.92 -0.02 2.45 2.96 -0.69 -3.20 118.68 125.62 3ie2 s LEU 367 Ca 0.62 -2.03 0.05 0.00 -0.22 0.00 0.00 54.13 52.54 3ie2 s LEU 367 Cb -0.59 -2.08 -0.07 0.00 0.50 0.00 0.00 46.19 43.95 3ie2 s LEU 367 CO 0.55 -0.70 0.08 0.54 -1.32 0.00 0.00 176.35 175.49 3ie2 n ARG 368 N 4.80 1.31 -1.30 1.98 1.74 0.79 -4.88 116.66 121.10 3ie2 n ARG 368 Ca -0.06 -0.03 -0.35 0.00 -0.77 0.00 0.00 57.85 56.64 3ie2 n ARG 368 Cb 0.41 -1.12 0.10 0.00 -1.02 0.00 0.00 32.46 30.83 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 -1.86 -0.07 -2.03 7.54 0.00 0.78 -4.11 120.51 120.77 3ie2 n ALA 369 Ca -0.03 -0.23 -0.38 0.00 0.00 0.00 0.00 53.44 52.80 3ie2 n ALA 369 Cb 0.33 -2.18 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 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 -1.78 7.25 0.02 0.00 1.04 -0.88 -4.87 113.70 114.48 3ie2 s SER 370 Ca 0.74 1.56 0.08 0.00 0.48 0.00 0.00 55.95 58.80 3ie2 s SER 370 Cb -0.33 -2.47 -0.03 0.00 0.10 0.00 0.00 66.02 63.30 3ie2 s SER 370 CO 0.50 0.13 -0.22 -0.69 0.98 0.00 0.00 173.24 173.94 3ie2 s VAL 371 N -1.32 2.47 0.04 5.02 1.01 -1.26 0.62 120.40 126.99 3ie2 s VAL 371 Ca 0.39 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3ie2 s VAL 371 Cb -0.20 -1.98 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 3ie2 s VAL 371 CO 0.24 0.42 -0.06 -1.00 0.00 0.00 0.00 175.10 174.70 3ie2 s HIS 372 N -0.80 0.54 -0.13 5.22 3.76 0.13 -4.93 115.29 119.08 3ie2 s HIS 372 Ca 0.12 -0.53 -0.00 0.00 -0.15 0.00 0.00 55.06 54.50 3ie2 s HIS 372 Cb -0.10 -0.34 0.02 0.00 1.11 0.00 0.00 32.58 33.27 3ie2 s HIS 372 CO 0.02 -0.13 -0.11 0.99 -0.85 0.00 0.00 174.74 174.67 3ie2 s THR 373 N -1.53 1.28 -0.57 1.30 2.01 -1.26 -0.61 115.64 116.27 3ie2 s THR 373 Ca -0.11 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.48 3ie2 s THR 373 Cb -0.09 -1.24 0.15 0.00 0.01 0.00 0.00 72.50 71.32 3ie2 s THR 373 CO -0.00 0.41 0.35 -0.76 -0.69 0.00 0.00 174.62 173.92 3ie2 s LEU 374 N 1.59 4.14 0.45 4.42 1.43 0.15 -4.88 118.68 125.98 3ie2 s LEU 374 Ca 0.05 -3.27 0.31 0.00 -1.03 0.00 0.00 54.13 50.19 3ie2 s LEU 374 Cb -0.13 -1.50 1.45 0.00 0.03 0.00 0.00 46.19 46.04 3ie2 s LEU 374 CO -0.09 -0.18 1.93 1.23 0.23 0.00 0.00 176.35 179.47 3ie2 h GLY 375 N 6.09 0.00 -0.78 -3.19 0.00 -1.86 -2.97 103.07 100.36 3ie2 h GLY 375 Ca 0.03 0.00 0.38 0.00 0.00 0.00 0.00 47.33 47.74 3ie2 h GLY 375 CO 0.66 0.00 0.85 -1.33 0.00 0.00 0.00 176.54 176.71 3ie2 h GLY 376 N 1.29 0.97 -1.57 4.60 0.00 -1.90 0.35 103.07 106.81 3ie2 h GLY 376 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3ie2 h GLY 376 CO 0.00 -0.23 0.02 0.69 0.00 0.00 0.00 176.54 177.03 3ie2 n PHE 377 N -4.53 0.30 -2.31 5.60 3.01 -1.12 -4.71 117.46 113.69 3ie2 n PHE 377 Ca 0.32 -0.24 -0.41 0.00 1.01 0.00 0.00 57.45 58.13 3ie2 n PHE 377 Cb 1.29 -0.20 -0.03 0.00 -0.01 0.00 0.00 39.48 40.52 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 0.11 7.01 -0.01 4.37 0.15 0.12 -4.87 113.70 120.59 3ie2 s SER 378 Ca 0.07 2.31 0.10 0.00 0.70 0.00 0.00 55.95 59.13 3ie2 s SER 378 Cb 0.06 -2.61 0.32 0.00 -1.71 0.00 0.00 66.02 62.07 3ie2 s SER 378 CO 0.02 -0.43 1.24 0.61 1.20 0.00 0.00 173.24 175.88 3ie2 n GLY 379 N 2.18 0.79 3.32 9.45 0.00 -1.26 -4.35 105.19 115.32 3ie2 n GLY 379 Ca 0.05 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.56 2.52 0.44 1.61 3.76 -1.26 -3.50 115.29 117.30 3ie2 s HIS 380 Ca 0.24 -0.60 -0.24 0.00 -0.15 0.00 0.00 55.06 54.31 3ie2 s HIS 380 Cb 0.13 -1.63 -0.10 0.00 1.11 0.00 0.00 32.58 32.09 3ie2 s HIS 380 CO 0.15 -0.13 1.04 0.00 -0.85 0.00 0.00 174.74 174.94 3ie2 n ALA 381 N 2.87 0.33 -1.00 -1.40 0.00 -0.23 -4.36 120.51 116.73 3ie2 n ALA 381 Ca -0.17 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3ie2 n ALA 381 Cb 0.52 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.86 3ie2 n ALA 381 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie2 n GLY 382 N 1.15 -2.00 0.12 0.00 0.00 -1.26 -4.49 105.19 98.70 3ie2 n GLY 382 Ca 0.09 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.55 3ie2 n GLY 382 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3ie2 h GLN 383 N 0.00 0.17 -0.32 1.61 4.15 -1.52 -2.96 115.11 116.23 3ie2 h GLN 383 Ca 0.00 -0.28 0.02 0.00 0.77 0.00 0.00 58.65 59.15 3ie2 h GLN 383 Cb 0.00 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 3ie2 h GLN 383 CO 0.00 1.14 0.18 0.38 -1.93 0.00 0.00 178.83 178.59 3ie2 h ASP 384 N -0.49 0.28 -0.82 -0.69 -0.00 -1.89 0.18 116.42 112.98 3ie2 h ASP 384 Ca -0.31 0.01 -0.04 0.00 -0.00 0.00 0.00 57.03 56.69 3ie2 h ASP 384 Cb 1.62 -0.05 -0.04 0.00 -0.00 0.00 0.00 39.33 40.86 3ie2 h ASP 384 CO -0.01 0.21 0.37 -0.33 -0.00 0.00 0.00 179.24 179.47 3ie2 h GLU 385 N 0.37 1.21 -0.44 4.15 5.08 -1.93 -0.26 114.58 122.76 3ie2 h GLU 385 Ca 0.13 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3ie2 h GLU 385 Cb 0.02 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3ie2 h GLU 385 CO -0.07 0.95 -0.01 1.25 -1.00 0.00 0.00 179.01 180.12 3ie2 h LEU 386 N 1.19 0.70 0.08 1.33 5.85 -1.21 -1.70 115.31 121.54 3ie2 h LEU 386 Ca 0.28 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3ie2 h LEU 386 Cb 0.17 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3ie2 h LEU 386 CO -0.03 0.78 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.75 3ie2 h LEU 387 N 0.69 -0.09 -0.70 2.25 3.38 -0.09 -2.91 115.31 117.84 3ie2 h LEU 387 Ca 0.13 -0.40 0.14 0.00 0.09 0.00 0.00 57.88 57.84 3ie2 h LEU 387 Cb 0.44 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.08 3ie2 h LEU 387 CO 0.02 0.38 -0.21 0.44 0.09 0.00 0.00 178.44 179.16 3ie2 h ASP 388 N -0.57 -0.76 -0.38 -0.43 3.45 -0.75 0.69 116.42 117.67 3ie2 h ASP 388 Ca -0.01 0.22 0.02 0.00 0.43 0.00 0.00 57.03 57.69 3ie2 h ASP 388 Cb 0.48 0.47 -0.02 0.00 -0.56 0.00 0.00 39.33 39.70 3ie2 h ASP 388 CO 0.02 -0.25 0.25 -0.25 -1.57 0.00 0.00 179.24 177.44 3ie2 h TRP 389 N -0.03 0.41 0.00 4.55 7.01 -1.34 -1.70 115.95 124.86 3ie2 h TRP 389 Ca 0.33 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.34 3ie2 h TRP 389 Cb 0.53 -0.14 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 3ie2 h TRP 389 CO -0.59 0.25 -0.60 1.28 -2.79 0.00 0.00 178.44 175.99 3ie2 n LEU 390 N -4.48 0.63 -4.55 0.65 4.32 0.13 -4.52 117.00 109.18 3ie2 n LEU 390 Ca 0.03 0.18 -0.52 0.00 -0.02 0.00 0.00 56.01 55.68 3ie2 n LEU 390 Cb 0.12 -0.20 -0.06 0.00 -1.62 0.00 0.00 43.42 41.66 3ie2 n LEU 390 CO 0.35 -0.01 0.70 1.67 -1.22 0.00 0.00 177.39 178.87 3ie2 n GLN 391 N -1.96 0.82 0.00 3.23 0.00 0.19 -1.54 117.38 118.12 3ie2 n GLN 391 Ca 0.04 0.29 0.00 0.00 -0.00 0.00 0.00 57.00 57.33 3ie2 n GLN 391 Cb 0.41 -1.81 0.00 0.00 0.00 0.00 0.00 30.24 28.85 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 2.07 3.02 3.72 1.69 0.00 -1.26 -5.02 105.19 109.41 3ie2 n GLY 392 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.25 4.40 0.21 1.61 0.41 -0.59 -4.95 118.70 119.55 3ie2 s GLU 393 Ca 0.00 1.88 0.01 0.00 -0.41 0.00 0.00 54.97 56.45 3ie2 s GLU 393 Cb 0.00 -3.30 0.19 0.00 -1.78 0.00 0.00 34.13 29.23 3ie2 s GLU 393 CO 0.00 -0.30 1.53 -1.00 -0.49 0.00 0.00 175.26 175.00 3ie2 h PRO 394 N 6.66 0.38 -4.29 0.39 0.13 -1.90 -3.44 132.00 129.93 3ie2 h PRO 394 Ca -0.42 -0.25 -0.54 0.00 -0.87 0.00 0.00 66.00 63.92 3ie2 h PRO 394 Cb 1.21 0.03 -0.37 0.00 0.13 0.00 0.00 31.00 32.01 3ie2 h PRO 394 CO 0.82 0.86 -0.81 1.03 -0.23 0.00 0.00 178.00 179.67 3ie2 s ARG 395 N -3.85 1.64 -0.12 0.86 0.52 -1.26 -0.74 118.95 116.00 3ie2 s ARG 395 Ca -0.05 -0.33 0.02 0.00 -0.52 0.00 0.00 55.73 54.85 3ie2 s ARG 395 Cb 0.12 -1.72 -0.00 0.00 0.52 0.00 0.00 34.95 33.87 3ie2 s ARG 395 CO 0.82 -0.28 -0.19 0.08 0.02 0.00 0.00 175.30 175.74 3ie2 s VAL 396 N 1.67 2.43 -0.38 3.52 1.01 -0.01 -0.25 120.40 128.38 3ie2 s VAL 396 Ca 0.05 -0.88 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 3ie2 s VAL 396 Cb -0.13 -1.98 0.08 0.00 0.00 0.00 0.00 36.38 34.35 3ie2 s VAL 396 CO -0.09 0.54 0.17 -0.69 0.00 0.00 0.00 175.10 175.04 3ie2 s VAL 397 N 0.49 3.62 0.28 2.92 1.01 0.02 -1.71 120.40 127.03 3ie2 s VAL 397 Ca -0.13 -1.58 -0.29 0.00 0.00 0.00 0.00 61.98 59.98 3ie2 s VAL 397 Cb -0.17 -3.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.87 3ie2 s VAL 397 CO 0.05 -0.45 1.18 -0.76 0.00 0.00 0.00 175.10 175.12 3ie2 s LEU 398 N 1.30 4.50 0.00 3.92 1.02 0.31 -2.30 118.68 127.42 3ie2 s LEU 398 Ca 0.02 2.40 -0.00 0.00 0.02 0.00 0.00 54.13 56.57 3ie2 s LEU 398 Cb -0.22 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.36 3ie2 s LEU 398 CO -0.01 -0.29 0.19 1.33 0.02 0.00 0.00 176.35 177.59 3ie2 n VAL 399 N 1.23 0.00 -3.65 -1.59 0.24 -0.23 -2.28 118.33 112.05 3ie2 n VAL 399 Ca -0.00 -0.78 -0.21 0.00 -2.04 0.00 0.00 64.34 61.31 3ie2 n VAL 399 Cb 0.44 0.46 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 3ie2 n VAL 399 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3ie2 n VAL 400 N -0.24 -4.97 0.00 3.34 0.31 0.05 -0.97 118.33 115.85 3ie2 n VAL 400 Ca 0.01 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 3ie2 n VAL 400 Cb 0.24 -3.86 0.00 0.00 -0.91 0.00 0.00 33.84 29.31 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 -1.71 -0.75 3.84 2.92 0.00 0.39 -1.87 105.19 108.02 3ie2 n GLY 401 Ca -0.22 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.00 3.64 0.16 1.61 2.02 -1.26 -1.97 118.70 120.89 3ie2 s GLU 402 Ca 0.00 -0.13 -0.21 0.00 0.02 0.00 0.00 54.97 54.65 3ie2 s GLU 402 Cb 0.00 -3.25 0.05 0.00 0.10 0.00 0.00 34.13 31.04 3ie2 s GLU 402 CO 0.00 0.66 1.26 0.39 0.02 0.00 0.00 175.26 177.59 3ie2 n GLU 403 N 2.35 -0.29 -0.26 1.61 1.02 -1.26 0.10 120.64 123.91 3ie2 n GLU 403 Ca -0.19 1.24 0.07 0.00 -0.02 0.00 0.00 57.16 58.27 3ie2 n GLU 403 Cb 0.54 -1.84 0.21 0.00 -0.02 0.00 0.00 31.44 30.33 3ie2 n GLU 403 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3ie2 h GLU 404 N 0.00 0.33 0.40 3.49 3.07 -1.96 0.56 114.58 120.47 3ie2 h GLU 404 Ca 0.20 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 59.02 3ie2 h GLU 404 Cb 0.40 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3ie2 h GLU 404 CO -0.79 0.22 -0.19 0.87 -1.40 0.00 0.00 179.01 177.72 3ie2 h LYS 405 N 0.34 -0.52 -0.71 2.33 1.79 0.29 -0.88 116.57 119.21 3ie2 h LYS 405 Ca 0.44 0.04 0.08 0.00 -2.18 0.00 0.00 60.65 59.03 3ie2 h LYS 405 Cb 0.76 0.12 -0.07 0.00 -1.58 0.00 0.00 32.23 31.46 3ie2 h LYS 405 CO -0.49 -0.22 0.37 -0.07 -1.08 0.00 0.00 179.45 177.96 3ie2 h LEU 406 N -0.82 0.51 -1.08 2.94 4.07 0.13 -0.86 115.31 120.21 3ie2 h LEU 406 Ca -0.06 0.05 -0.07 0.00 0.08 0.00 0.00 57.88 57.88 3ie2 h LEU 406 Cb 0.54 -0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 3ie2 h LEU 406 CO 0.09 0.31 -0.12 -0.07 -1.08 0.00 0.00 178.44 177.56 3ie2 h LEU 407 N 0.65 0.49 -0.68 1.67 -0.00 0.11 0.52 115.31 118.07 3ie2 h LEU 407 Ca 0.34 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 58.09 3ie2 h LEU 407 Cb 0.31 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.81 3ie2 h LEU 407 CO -0.24 0.65 0.44 0.00 -0.00 0.00 0.00 178.44 179.29 3ie2 h ALA 408 N 1.40 0.87 0.31 1.53 0.00 0.21 0.21 119.26 123.79 3ie2 h ALA 408 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3ie2 h ALA 408 Cb 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ie2 h ALA 408 CO 0.03 0.31 -0.15 1.25 0.00 0.00 0.00 179.25 180.69 3ie2 h LEU 409 N 0.93 -0.36 -1.01 0.00 6.46 -0.85 -3.21 115.31 117.28 3ie2 h LEU 409 Ca 0.25 -0.18 0.36 0.00 -0.12 0.00 0.00 57.88 58.19 3ie2 h LEU 409 Cb -0.09 0.09 -0.16 0.00 -0.73 0.00 0.00 40.66 39.78 3ie2 h LEU 409 CO -0.05 0.10 0.56 1.23 -0.62 0.00 0.00 178.44 179.65 3ie2 h GLY 410 N -0.94 2.15 0.97 3.75 0.00 0.29 0.24 103.07 109.53 3ie2 h GLY 410 Ca -0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3ie2 h GLY 410 CO 0.07 -0.61 -0.22 1.70 0.00 0.00 0.00 176.54 177.47 3ie2 h LYS 411 N 0.20 -0.58 -0.64 4.80 3.64 -0.59 0.27 116.57 123.67 3ie2 h LYS 411 Ca 0.78 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 60.27 3ie2 h LYS 411 Cb 1.90 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.80 3ie2 h LYS 411 CO -0.67 -0.39 0.33 -0.07 -2.27 0.00 0.00 179.45 176.39 3ie2 h LEU 412 N -0.60 0.46 0.50 5.20 3.38 -0.62 0.19 115.31 123.82 3ie2 h LEU 412 Ca -0.06 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3ie2 h LEU 412 Cb 0.47 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ie2 h LEU 412 CO 0.08 0.29 -0.24 -0.07 0.09 0.00 0.00 178.44 178.59 3ie2 h LEU 413 N 0.60 -0.57 -0.86 1.67 3.38 -0.86 -0.03 115.31 118.63 3ie2 h LEU 413 Ca 0.29 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.38 3ie2 h LEU 413 Cb 0.23 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.04 3ie2 h LEU 413 CO -0.21 -0.35 0.47 0.00 0.09 0.00 0.00 178.44 178.45 3ie2 h ALA 414 N -0.30 1.29 -0.40 1.53 0.00 0.01 0.42 119.26 121.83 3ie2 h ALA 414 Ca -0.07 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3ie2 h ALA 414 Cb 0.56 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3ie2 h ALA 414 CO 0.11 -0.02 0.09 -0.07 0.00 0.00 0.00 179.25 179.36 3ie2 h LEU 415 N 0.70 0.54 -0.19 0.00 3.38 -0.38 -1.11 115.31 118.25 3ie2 h LEU 415 Ca 0.46 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3ie2 h LEU 415 Cb 0.58 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3ie2 h LEU 415 CO -0.33 0.55 0.00 -1.14 0.09 0.00 0.00 178.44 177.62 3ie2 n ARG 416 N -4.32 0.08 0.00 1.13 0.63 0.14 -4.85 116.66 109.47 3ie2 n ARG 416 Ca 0.02 0.25 0.00 0.00 -0.92 0.00 0.00 57.85 57.21 3ie2 n ARG 416 Cb 0.20 -1.63 0.00 0.00 0.45 0.00 0.00 32.46 31.48 3ie2 n ARG 416 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ie2 n GLY 417 N 0.38 0.75 3.79 5.14 0.00 -0.42 -5.08 105.19 109.74 3ie2 n GLY 417 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.50 4.50 -0.33 1.61 -0.21 -0.97 -4.98 119.66 118.78 3ie2 s GLN 418 Ca 0.00 1.10 -0.28 0.00 0.02 0.00 0.00 55.36 56.21 3ie2 s GLN 418 Cb 0.00 -3.15 0.01 0.00 1.00 0.00 0.00 33.01 30.87 3ie2 s GLN 418 CO 0.00 0.52 1.00 -1.21 -2.12 0.00 0.00 175.29 173.48 3ie2 s GLU 419 N -1.37 4.00 0.20 2.91 2.02 0.08 -3.51 118.70 123.03 3ie2 s GLU 419 Ca 0.38 0.89 0.10 0.00 0.02 0.00 0.00 54.97 56.36 3ie2 s GLU 419 Cb -0.21 -3.75 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 3ie2 s GLU 419 CO 0.25 -0.88 -0.11 0.54 0.02 0.00 0.00 175.26 175.07 3ie2 s VAL 420 N 3.52 3.04 0.26 2.63 0.11 -1.26 -0.83 120.40 127.87 3ie2 s VAL 420 Ca 0.42 -1.82 -0.16 0.00 -2.93 0.00 0.00 61.98 57.49 3ie2 s VAL 420 Cb -0.12 -2.52 0.01 0.00 -1.53 0.00 0.00 36.38 32.21 3ie2 s VAL 420 CO 0.16 -0.18 0.57 -0.94 -3.33 0.00 0.00 175.10 171.38 3ie2 s SER 421 N -2.99 -0.16 -0.17 3.54 1.04 -0.69 -4.97 113.70 109.30 3ie2 s SER 421 Ca 0.26 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 55.89 3ie2 s SER 421 Cb -0.08 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.69 3ie2 s SER 421 CO 0.15 -1.21 -0.18 -0.76 0.98 0.00 0.00 173.24 172.22 3ie2 s LEU 422 N -2.98 2.27 0.94 2.42 1.02 -1.26 -0.53 118.68 120.57 3ie2 s LEU 422 Ca 0.18 -0.57 -0.10 0.00 0.02 0.00 0.00 54.13 53.65 3ie2 s LEU 422 Cb -0.03 -1.51 0.16 0.00 0.02 0.00 0.00 46.19 44.83 3ie2 s LEU 422 CO 0.08 0.04 1.09 0.00 0.02 0.00 0.00 176.35 177.59 3ie2 n ALA 423 N 4.34 -1.11 -3.67 4.21 0.00 -0.97 -4.94 120.51 118.38 3ie2 n ALA 423 Ca -0.20 -0.62 -0.16 0.00 0.00 0.00 0.00 53.44 52.46 3ie2 n ALA 423 Cb 0.51 -2.16 -0.16 0.00 0.00 0.00 0.00 19.45 17.64 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 -4.56 0.11 -0.03 0.00 0.52 -1.26 -4.34 118.95 109.38 3ie2 s ARG 424 Ca 0.67 0.12 -0.39 0.00 -0.52 0.00 0.00 55.73 55.61 3ie2 s ARG 424 Cb -0.23 -0.33 -0.18 0.00 0.52 0.00 0.00 34.95 34.73 3ie2 s ARG 424 CO 0.59 -0.14 1.33 0.34 0.02 0.00 0.00 175.30 177.44 3ie2 n PHE 425 N 4.06 1.32 0.00 -0.53 7.35 -1.25 -0.56 117.46 127.86 3ie2 n PHE 425 Ca -0.26 0.80 0.00 0.00 -0.76 0.00 0.00 57.45 57.23 3ie2 n PHE 425 Cb 0.51 -2.26 0.00 0.00 0.35 0.00 0.00 39.48 38.08 3ie2 n PHE 425 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ie2 n GLY 426 N 2.53 2.19 3.57 7.13 0.00 -0.16 -4.95 105.19 115.50 3ie2 n GLY 426 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 3.30 0.79 1.61 2.02 0.28 -4.87 118.70 121.83 3ie2 s GLU 427 Ca 0.00 0.16 -0.13 0.00 0.02 0.00 0.00 54.97 55.02 3ie2 s GLU 427 Cb 0.00 -4.12 0.08 0.00 0.10 0.00 0.00 34.13 30.19 3ie2 s GLU 427 CO 0.00 -1.96 1.20 0.20 0.02 0.00 0.00 175.26 174.72 3ie2 s GLY 428 N 3.88 2.17 -0.05 -1.39 0.00 -1.26 -4.40 107.32 106.27 3ie2 s GLY 428 Ca 0.44 0.83 0.00 0.00 0.00 0.00 0.00 44.72 46.00 3ie2 s GLY 428 CO 0.22 1.25 -0.02 0.14 0.00 0.00 0.00 173.10 174.68 3ie2 s VAL 429 N -2.14 0.43 0.07 1.40 1.01 -0.02 -4.97 120.40 116.17 3ie2 s VAL 429 Ca 0.73 -0.01 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 3ie2 s VAL 429 Cb -0.28 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.54 3ie2 s VAL 429 CO 0.50 0.22 1.01 -2.16 0.00 0.00 0.00 175.10 174.67 3ie2 s PRO 430 N 1.28 4.61 0.00 2.72 0.04 -1.26 0.14 135.00 142.52 3ie2 s PRO 430 Ca -0.06 1.50 0.31 0.00 0.04 0.00 0.00 61.00 62.80 3ie2 s PRO 430 Cb -0.13 -3.39 1.73 0.00 0.04 0.00 0.00 34.50 32.74 3ie2 s PRO 430 CO -0.02 0.05 2.13 0.28 0.04 0.00 0.00 177.00 179.47