#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 0.54 -0.14 2.12 1.70 -0.39 0.51 118.95 123.30 3ie2 s ARG 2 Ca 0.00 -0.59 -0.01 0.00 -0.47 0.00 0.00 55.73 54.66 3ie2 s ARG 2 Cb 0.00 0.22 -0.02 0.00 -0.57 0.00 0.00 34.95 34.58 3ie2 s ARG 2 CO 0.00 -0.13 -0.11 -1.50 -1.08 0.00 0.00 175.30 172.48 3ie2 s ILE 3 N -2.04 3.25 -0.27 4.99 1.10 0.25 -0.63 121.20 127.85 3ie2 s ILE 3 Ca -0.10 -0.59 -0.00 0.00 -0.51 0.00 0.00 60.65 59.45 3ie2 s ILE 3 Cb -0.04 -2.38 0.04 0.00 0.15 0.00 0.00 42.46 40.23 3ie2 s ILE 3 CO -0.02 0.52 -0.06 -0.69 -2.11 0.00 0.00 174.94 172.58 3ie2 s VAL 4 N 0.35 2.71 0.24 4.00 1.01 -0.25 -0.36 120.40 128.10 3ie2 s VAL 4 Ca -0.09 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.27 3ie2 s VAL 4 Cb -0.16 -2.49 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 3ie2 s VAL 4 CO 0.05 0.03 1.31 -2.84 0.00 0.00 0.00 175.10 173.65 3ie2 s PRO 5 N 1.24 4.39 -0.01 2.72 0.02 -1.26 -1.72 135.00 140.38 3ie2 s PRO 5 Ca -0.04 2.10 0.18 0.00 0.02 0.00 0.00 61.00 63.26 3ie2 s PRO 5 Cb -0.19 -3.16 0.31 0.00 0.02 0.00 0.00 34.50 31.49 3ie2 s PRO 5 CO -0.04 -0.22 1.12 1.19 -0.33 0.00 0.00 177.00 178.73 3ie2 n PHE 6 N 2.05 0.00 -3.91 6.54 3.72 0.76 -1.29 117.46 125.34 3ie2 n PHE 6 Ca 0.04 -0.41 0.01 0.00 -0.05 0.00 0.00 57.45 57.05 3ie2 n PHE 6 Cb 0.42 -0.13 0.01 0.00 -0.94 0.00 0.00 39.48 38.85 3ie2 n PHE 6 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3ie2 s GLY 7 N -1.79 -0.14 0.00 1.37 0.00 -1.20 -4.56 107.32 101.01 3ie2 s GLY 7 Ca 0.25 0.09 0.00 0.00 0.00 0.00 0.00 44.72 45.06 3ie2 s GLY 7 CO -0.12 4.12 0.00 0.00 0.00 0.00 0.00 173.10 177.10 3ie2 n ALA 8 N -0.80 0.00 -2.40 3.20 0.00 -0.97 -4.56 120.51 114.99 3ie2 n ALA 8 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 3ie2 n ALA 8 Cb 0.59 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.82 2.67 0.00 0.00 0.00 -1.26 -0.68 121.76 121.67 3ie2 s ALA 9 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3ie2 s ALA 9 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.92 3ie2 s ALA 9 CO 0.00 -3.25 0.00 0.54 0.00 0.00 0.00 175.76 173.05 3ie2 n ARG 10 N 9.05 0.00 -0.96 0.00 1.74 -1.26 -4.77 116.66 120.46 3ie2 n ARG 10 Ca 0.10 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3ie2 n ARG 10 Cb 0.50 -2.24 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 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 -1.69 1.09 -0.04 5.56 0.28 -1.02 -1.73 120.64 123.09 3ie2 n GLU 11 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 3ie2 n GLU 11 Cb 0.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 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 -0.96 0.54 -4.14 3.84 0.24 -1.23 0.16 118.33 116.78 3ie2 n VAL 12 Ca 0.00 -0.39 -0.27 0.00 -2.04 0.00 0.00 64.34 61.65 3ie2 n VAL 12 Cb 0.00 -0.54 -0.04 0.00 -1.47 0.00 0.00 33.84 31.79 3ie2 n VAL 12 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ie2 s THR 13 N -2.34 1.81 0.00 3.34 -4.23 -1.26 -4.52 115.64 108.44 3ie2 s THR 13 Ca -0.05 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 3ie2 s THR 13 Cb 0.04 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.40 3ie2 s THR 13 CO 0.41 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 3ie2 n GLY 14 N -1.47 0.58 3.64 3.99 0.00 -0.96 -2.29 105.19 108.68 3ie2 n GLY 14 Ca -0.05 -0.35 -0.61 0.00 0.00 0.00 0.00 46.02 45.01 3ie2 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ie2 n SER 15 N 0.64 1.07 -3.34 1.61 7.64 -1.16 -3.62 113.62 116.46 3ie2 n SER 15 Ca 0.00 1.15 0.02 0.00 1.01 0.00 0.00 58.87 61.05 3ie2 n SER 15 Cb 0.00 -0.98 -0.03 0.00 -1.01 0.00 0.00 64.21 62.19 3ie2 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ie2 s ALA 16 N 1.73 -2.78 -0.09 -0.43 0.00 -1.26 0.19 121.76 119.11 3ie2 s ALA 16 Ca 0.96 1.92 -0.01 0.00 0.00 0.00 0.00 51.96 54.84 3ie2 s ALA 16 Cb -1.27 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 19.73 3ie2 s ALA 16 CO 0.66 -1.09 -0.05 -1.01 0.00 0.00 0.00 175.76 174.27 3ie2 s HIS 17 N 2.62 1.16 -0.33 0.00 0.09 -0.43 -0.17 115.29 118.23 3ie2 s HIS 17 Ca -0.00 -0.50 -0.25 0.00 -0.00 0.00 0.00 55.06 54.31 3ie2 s HIS 17 Cb -0.08 -1.05 0.01 0.00 -0.00 0.00 0.00 32.58 31.46 3ie2 s HIS 17 CO -0.17 -0.43 0.87 -1.17 -0.00 0.00 0.00 174.74 173.85 3ie2 s LEU 18 N 1.74 4.05 -0.39 0.89 2.96 -0.70 0.93 118.68 128.16 3ie2 s LEU 18 Ca 0.04 0.65 -0.18 0.00 -0.22 0.00 0.00 54.13 54.42 3ie2 s LEU 18 Cb -0.13 -3.19 0.01 0.00 0.50 0.00 0.00 46.19 43.38 3ie2 s LEU 18 CO -0.06 -0.74 0.48 -0.22 -1.32 0.00 0.00 176.35 174.48 3ie2 s LEU 19 N 3.23 4.57 -0.39 -0.68 2.96 0.33 -1.09 118.68 127.61 3ie2 s LEU 19 Ca 0.36 -0.34 -0.15 0.00 -0.22 0.00 0.00 54.13 53.78 3ie2 s LEU 19 Cb -0.13 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.08 3ie2 s LEU 19 CO 0.15 -0.54 0.29 -0.76 -1.32 0.00 0.00 176.35 174.18 3ie2 s LEU 20 N 2.31 4.95 -0.09 -0.68 1.43 0.20 -1.05 118.68 125.74 3ie2 s LEU 20 Ca 0.16 -0.76 -0.32 0.00 -1.03 0.00 0.00 54.13 52.17 3ie2 s LEU 20 Cb -0.16 -2.17 0.12 0.00 0.03 0.00 0.00 46.19 44.01 3ie2 s LEU 20 CO 0.14 -0.40 1.11 0.00 0.23 0.00 0.00 176.35 177.42 3ie2 s ALA 21 N 1.72 -1.99 -1.29 4.21 0.00 -0.86 -1.26 121.76 122.29 3ie2 s ALA 21 Ca 0.06 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3ie2 s ALA 21 Cb -0.18 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.08 3ie2 s ALA 21 CO 0.10 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.57 3ie2 n GLY 22 N -0.20 0.80 1.95 0.00 0.00 -1.26 0.22 105.19 106.69 3ie2 n GLY 22 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.38 0.42 3.36 -0.02 0.00 -1.26 -2.04 105.19 105.27 3ie2 n GLY 23 Ca -0.13 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.52 1.44 -0.27 1.61 1.81 0.13 -4.92 118.95 117.23 3ie2 s ARG 24 Ca 0.00 -1.76 -0.02 0.00 -1.72 0.00 0.00 55.73 52.23 3ie2 s ARG 24 Cb 0.00 -0.59 0.09 0.00 -0.45 0.00 0.00 34.95 34.00 3ie2 s ARG 24 CO 0.00 -0.17 0.09 1.03 -0.68 0.00 0.00 175.30 175.57 3ie2 s ARG 25 N -3.91 0.53 -0.17 3.54 0.52 -1.26 -2.03 118.95 116.16 3ie2 s ARG 25 Ca 0.33 -0.73 -0.04 0.00 -0.52 0.00 0.00 55.73 54.77 3ie2 s ARG 25 Cb 0.07 -1.78 -0.02 0.00 0.52 0.00 0.00 34.95 33.74 3ie2 s ARG 25 CO 0.12 -0.90 -0.04 0.08 0.02 0.00 0.00 175.30 174.57 3ie2 s VAL 26 N 1.83 3.69 -0.19 3.52 1.01 -0.22 -0.32 120.40 129.71 3ie2 s VAL 26 Ca 0.07 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 3ie2 s VAL 26 Cb -0.17 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3ie2 s VAL 26 CO -0.24 0.47 0.64 -0.22 0.00 0.00 0.00 175.10 175.75 3ie2 s LEU 27 N 0.73 4.15 -0.48 3.92 0.20 -0.19 0.12 118.68 127.13 3ie2 s LEU 27 Ca -0.02 0.85 -0.16 0.00 0.69 0.00 0.00 54.13 55.48 3ie2 s LEU 27 Cb -0.15 -2.90 0.07 0.00 -0.43 0.00 0.00 46.19 42.78 3ie2 s LEU 27 CO 0.02 -0.27 0.46 -0.76 -0.29 0.00 0.00 176.35 175.50 3ie2 s LEU 28 N 1.90 5.41 0.31 -0.68 1.02 0.26 -0.72 118.68 126.17 3ie2 s LEU 28 Ca 0.29 -1.18 0.00 0.00 0.02 0.00 0.00 54.13 53.26 3ie2 s LEU 28 Cb -0.16 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.79 3ie2 s LEU 28 CO 0.10 -0.71 0.00 0.47 0.02 0.00 0.00 176.35 176.24 3ie2 n ASP 29 N 5.48 -4.55 -3.20 2.29 8.00 0.11 -1.31 116.55 123.37 3ie2 n ASP 29 Ca -0.11 0.93 -0.23 0.00 0.71 0.00 0.00 54.79 56.09 3ie2 n ASP 29 Cb 0.44 -2.18 -0.07 0.00 -0.02 0.00 0.00 41.12 39.29 3ie2 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ie2 s GLY 31 N -0.92 1.87 0.15 0.00 0.00 0.13 -1.28 107.32 107.27 3ie2 s GLY 31 Ca 0.34 -0.22 -0.07 0.00 0.00 0.00 0.00 44.72 44.78 3ie2 s GLY 31 CO -0.14 -0.02 0.42 -3.16 0.00 0.00 0.00 173.10 170.21 3ie2 s MET 32 N -4.08 3.69 0.50 2.90 0.23 -0.96 -3.90 119.30 117.69 3ie2 s MET 32 Ca 0.51 0.06 -0.17 0.00 -1.03 0.00 0.00 55.69 55.06 3ie2 s MET 32 Cb -0.10 -2.84 -0.08 0.00 -1.53 0.00 0.00 34.83 30.28 3ie2 s MET 32 CO 0.35 0.45 0.99 -0.06 -2.03 0.00 0.00 175.02 174.72 3ie2 s PHE 33 N -1.63 3.38 0.05 3.16 0.08 -1.26 -2.27 117.98 119.48 3ie2 s PHE 33 Ca 0.41 1.50 -0.02 0.00 0.12 0.00 0.00 56.93 58.94 3ie2 s PHE 33 Cb -0.12 -2.83 -0.03 0.00 -0.57 0.00 0.00 43.02 39.47 3ie2 s PHE 33 CO 0.22 -0.39 0.01 -0.65 -0.10 0.00 0.00 175.22 174.31 3ie2 s GLN 34 N -3.88 0.62 6.97 0.44 -0.21 -1.26 -4.10 119.66 118.24 3ie2 s GLN 34 Ca 0.60 -1.11 0.00 0.00 0.02 0.00 0.00 55.36 54.87 3ie2 s GLN 34 Cb -0.10 0.22 0.00 0.00 1.00 0.00 0.00 33.01 34.13 3ie2 s GLN 34 CO 0.28 -0.13 0.00 0.41 -2.12 0.00 0.00 175.29 173.73 3ie2 n GLY 35 N 0.24 2.73 0.35 3.09 0.00 -1.26 -2.54 105.19 107.80 3ie2 n GLY 35 Ca -0.15 0.22 0.18 0.00 0.00 0.00 0.00 46.02 46.26 3ie2 n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie2 h LYS 36 N 0.00 0.00 -0.00 1.61 1.79 -2.05 -3.08 116.57 114.84 3ie2 h LYS 36 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3ie2 h LYS 36 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 3ie2 h LYS 36 CO 0.00 0.00 -0.36 0.39 -1.08 0.00 0.00 179.45 178.40 3ie2 n GLU 37 N -4.34 3.74 -0.20 3.15 -0.58 -1.05 -4.76 120.64 116.60 3ie2 n GLU 37 Ca 0.06 -0.12 0.20 0.00 -0.42 0.00 0.00 57.16 56.88 3ie2 n GLU 37 Cb 0.48 -0.94 0.36 0.00 -0.57 0.00 0.00 31.44 30.78 3ie2 n GLU 37 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3ie2 n GLU 38 N -1.00 -0.03 -0.27 3.49 4.07 -1.16 -0.01 120.64 125.72 3ie2 n GLU 38 Ca 0.02 0.82 0.29 0.00 -0.06 0.00 0.00 57.16 58.23 3ie2 n GLU 38 Cb 0.15 -1.48 0.67 0.00 -0.06 0.00 0.00 31.44 30.72 3ie2 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ie2 h ALA 39 N 1.16 2.78 0.00 4.31 0.00 -1.85 -0.21 119.26 125.45 3ie2 h ALA 39 Ca 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.40 3ie2 h ALA 39 Cb 1.39 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 3ie2 h ALA 39 CO -0.44 -1.10 -0.04 0.00 0.00 0.00 0.00 179.25 177.67 3ie2 h ARG 40 N 0.11 0.00 0.00 0.00 3.08 -0.81 -1.91 114.38 114.85 3ie2 h ARG 40 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 3ie2 h ARG 40 Cb 1.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.89 3ie2 h ARG 40 CO -0.08 0.04 0.03 0.09 -1.07 0.00 0.00 179.97 178.98 3ie2 n ASN 41 N -4.10 0.00 -0.67 7.04 5.03 -0.09 0.21 115.26 122.68 3ie2 n ASN 41 Ca -0.03 0.35 0.07 0.00 0.87 0.00 0.00 54.58 55.85 3ie2 n ASN 41 Cb 0.13 -0.35 0.10 0.00 -1.02 0.00 0.00 39.78 38.64 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 -1.34 0.16 -4.00 3.10 8.25 -0.72 -4.88 115.22 115.80 3ie2 n HIS 42 Ca 0.00 -0.13 -0.22 0.00 -0.26 0.00 0.00 57.72 57.11 3ie2 n HIS 42 Cb 0.03 -0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.18 3.67 0.86 -1.41 0.00 0.13 -5.10 121.76 118.72 3ie2 s ALA 43 Ca 0.21 -1.53 -0.13 0.00 0.00 0.00 0.00 51.96 50.51 3ie2 s ALA 43 Cb 0.13 -1.21 0.06 0.00 0.00 0.00 0.00 23.12 22.11 3ie2 s ALA 43 CO 0.19 0.15 0.85 -0.35 0.00 0.00 0.00 175.76 176.60 3ie2 n PRO 44 N -1.24 -0.08 -0.07 0.00 -0.04 -1.26 -4.94 135.00 127.35 3ie2 n PRO 44 Ca -0.05 0.04 -0.15 0.00 -0.04 0.00 0.00 63.50 63.29 3ie2 n PRO 44 Cb 0.59 -2.16 -0.05 0.00 -0.04 0.00 0.00 33.50 31.84 3ie2 n PRO 44 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3ie2 h PHE 45 N -1.24 1.08 0.00 0.54 0.04 -1.98 -3.47 116.94 111.91 3ie2 h PHE 45 Ca -0.45 -0.39 0.00 0.00 2.80 0.00 0.00 57.97 59.93 3ie2 h PHE 45 Cb 1.30 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 39.25 3ie2 h PHE 45 CO 0.43 1.22 0.00 0.41 -0.60 0.00 0.00 178.31 179.77 3ie2 n GLY 46 N 0.41 1.03 3.52 -1.45 0.00 -1.26 -4.93 105.19 102.51 3ie2 n GLY 46 Ca -0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.66 -0.53 1.61 -0.71 -1.26 -5.11 117.98 109.33 3ie2 s PHE 47 Ca 0.00 1.35 -0.27 0.00 -1.04 0.00 0.00 56.93 56.97 3ie2 s PHE 47 Cb 0.00 0.32 -0.02 0.00 -1.21 0.00 0.00 43.02 42.11 3ie2 s PHE 47 CO 0.00 -0.48 1.81 0.34 -1.34 0.00 0.00 175.22 175.55 3ie2 s ASP 48 N -0.53 5.50 0.39 1.98 -1.08 -1.26 -4.83 116.67 116.85 3ie2 s ASP 48 Ca -0.06 0.61 0.23 0.00 -0.52 0.00 0.00 52.55 52.80 3ie2 s ASP 48 Cb -0.02 -2.53 1.23 0.00 -1.46 0.00 0.00 42.92 40.14 3ie2 s ASP 48 CO 0.06 -2.14 1.67 1.55 0.52 0.00 0.00 175.17 176.82 3ie2 h PRO 49 N 14.12 0.00 0.00 4.34 0.13 -1.92 0.21 132.00 148.88 3ie2 h PRO 49 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3ie2 h PRO 49 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3ie2 h PRO 49 CO 1.16 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.56 3ie2 n LYS 50 N -2.35 0.51 -0.00 0.86 5.02 -1.26 -2.92 118.16 118.02 3ie2 n LYS 50 Ca -0.02 0.02 0.08 0.00 -2.02 0.00 0.00 58.31 56.37 3ie2 n LYS 50 Cb 0.15 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.22 1.63 -2.27 1.97 -0.58 0.75 -4.94 120.64 115.98 3ie2 n GLU 51 Ca 0.15 -0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.48 3ie2 n GLU 51 Cb 0.19 -1.27 -0.03 0.00 -0.57 0.00 0.00 31.44 29.76 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 -2.54 3.04 -0.15 2.62 1.01 -1.15 -4.69 120.40 118.54 3ie2 s VAL 52 Ca 0.06 1.04 0.11 0.00 0.00 0.00 0.00 61.98 63.19 3ie2 s VAL 52 Cb 0.12 -3.65 -0.23 0.00 0.00 0.00 0.00 36.38 32.61 3ie2 s VAL 52 CO 0.67 0.24 0.27 0.47 0.00 0.00 0.00 175.10 176.74 3ie2 n ASP 53 N 0.90 0.79 -3.54 3.32 8.00 0.56 -4.84 116.55 121.73 3ie2 n ASP 53 Ca -0.00 0.15 -0.07 0.00 0.71 0.00 0.00 54.79 55.57 3ie2 n ASP 53 Cb 0.43 0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.76 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 -2.54 -1.92 0.06 2.24 0.00 -1.23 -4.33 121.76 114.04 3ie2 s ALA 54 Ca -0.13 1.29 0.05 0.00 0.00 0.00 0.00 51.96 53.17 3ie2 s ALA 54 Cb 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 3ie2 s ALA 54 CO 0.79 -0.59 -0.13 0.54 0.00 0.00 0.00 175.76 176.37 3ie2 s VAL 55 N -2.56 1.03 -0.05 0.00 0.11 -1.16 -1.03 120.40 116.75 3ie2 s VAL 55 Ca 0.05 -1.16 0.06 0.00 -2.93 0.00 0.00 61.98 58.00 3ie2 s VAL 55 Cb -0.01 -0.98 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 3ie2 s VAL 55 CO -0.06 -0.16 -0.25 -0.76 -3.33 0.00 0.00 175.10 170.54 3ie2 s LEU 56 N -1.50 2.10 -0.25 2.54 1.02 0.10 -0.92 118.68 121.76 3ie2 s LEU 56 Ca -0.02 -0.49 -0.04 0.00 0.02 0.00 0.00 54.13 53.60 3ie2 s LEU 56 Cb -0.09 -1.38 0.00 0.00 0.02 0.00 0.00 46.19 44.75 3ie2 s LEU 56 CO 0.02 0.26 -0.00 -0.76 0.02 0.00 0.00 176.35 175.89 3ie2 s LEU 57 N -0.28 3.27 0.27 1.79 1.02 0.46 0.05 118.68 125.26 3ie2 s LEU 57 Ca -0.00 -0.58 -0.04 0.00 0.02 0.00 0.00 54.13 53.53 3ie2 s LEU 57 Cb -0.13 -1.77 0.34 0.00 0.02 0.00 0.00 46.19 44.64 3ie2 s LEU 57 CO 0.03 -0.09 1.88 0.71 0.02 0.00 0.00 176.35 178.89 3ie2 h THR 58 N 5.84 1.23 -1.86 5.49 1.35 -1.88 -3.42 112.91 119.66 3ie2 h THR 58 Ca -0.36 -0.62 0.23 0.00 -0.55 0.00 0.00 66.41 65.10 3ie2 h THR 58 Cb 1.14 0.23 -0.13 0.00 -1.73 0.00 0.00 68.15 67.66 3ie2 h THR 58 CO 0.59 0.27 0.67 -1.38 -0.25 0.00 0.00 175.52 175.42 3ie2 s HIS 59 N -5.66 -0.14 -0.91 4.73 -3.43 -1.26 -0.24 115.29 108.38 3ie2 s HIS 59 Ca -0.11 -0.02 0.00 0.00 -0.80 0.00 0.00 55.06 54.13 3ie2 s HIS 59 Cb 0.17 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.88 3ie2 s HIS 59 CO 0.81 -0.47 0.43 0.00 -2.00 0.00 0.00 174.74 173.51 3ie2 n ALA 60 N -0.36 2.19 -2.16 -1.38 0.00 -1.26 -4.65 120.51 112.88 3ie2 n ALA 60 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 3ie2 n ALA 60 Cb 0.61 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.89 3.74 0.32 0.00 3.76 -1.26 -4.77 115.29 116.18 3ie2 s HIS 61 Ca 0.00 1.73 0.09 0.00 -0.15 0.00 0.00 55.06 56.73 3ie2 s HIS 61 Cb 0.00 -3.13 0.89 0.00 1.11 0.00 0.00 32.58 31.45 3ie2 s HIS 61 CO 0.00 -0.09 1.69 -0.07 -0.85 0.00 0.00 174.74 175.42 3ie2 h LEU 62 N 5.35 0.48 -0.33 0.89 4.07 -1.94 0.18 115.31 124.01 3ie2 h LEU 62 Ca -0.43 0.16 0.00 0.00 0.08 0.00 0.00 57.88 57.69 3ie2 h LEU 62 Cb 1.21 0.11 0.00 0.00 1.08 0.00 0.00 40.66 43.06 3ie2 h LEU 62 CO 0.72 -0.02 0.00 -0.90 -1.08 0.00 0.00 178.44 177.16 3ie2 n ASP 63 N -5.00 0.23 0.00 -0.43 5.75 -1.26 0.16 116.55 115.99 3ie2 n ASP 63 Ca 0.27 -1.43 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 3ie2 n ASP 63 Cb 0.79 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.76 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 -0.29 0.00 0.00 2.11 8.25 0.49 -2.98 115.22 122.81 3ie2 n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ie2 n HIS 64 Cb 0.06 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.06 0.00 -0.19 1.59 0.31 -0.39 -0.29 118.33 119.29 3ie2 n VAL 65 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3ie2 n VAL 65 Cb 0.00 0.01 -0.00 0.00 -0.91 0.00 0.00 33.84 32.94 3ie2 n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ie2 n GLY 66 N 1.93 -1.10 0.02 2.92 0.00 0.42 -0.24 105.19 109.14 3ie2 n GLY 66 Ca 0.00 0.56 0.16 0.00 0.00 0.00 0.00 46.02 46.74 3ie2 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie2 n ARG 67 N -4.68 0.97 -0.13 1.61 1.74 -0.40 -4.15 116.66 111.61 3ie2 n ARG 67 Ca 0.04 -0.03 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 3ie2 n ARG 67 Cb 0.17 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.14 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 0.08 -0.32 -1.63 0.55 5.85 -0.35 0.76 115.31 120.26 3ie2 h LEU 68 Ca 0.00 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 3ie2 h LEU 68 Cb 0.05 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 3ie2 h LEU 68 CO 0.00 -0.11 0.00 1.55 -0.34 0.00 0.00 178.44 179.54 3ie2 h PRO 69 N 0.04 0.24 -0.01 5.25 0.13 -1.78 -0.90 132.00 134.96 3ie2 h PRO 69 Ca 0.21 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.31 3ie2 h PRO 69 Cb 0.32 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 3ie2 h PRO 69 CO -0.41 0.26 -0.02 -0.22 -0.23 0.00 0.00 178.00 177.38 3ie2 h LYS 70 N 0.24 -0.03 -0.96 0.86 3.64 -1.20 -1.44 116.57 117.67 3ie2 h LYS 70 Ca 0.06 0.00 0.27 0.00 -1.27 0.00 0.00 60.65 59.71 3ie2 h LYS 70 Cb 0.16 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 31.85 3ie2 h LYS 70 CO 0.00 -0.02 0.48 1.25 -2.27 0.00 0.00 179.45 178.89 3ie2 h LEU 71 N -0.04 0.42 -0.35 5.20 5.85 0.35 0.49 115.31 127.23 3ie2 h LEU 71 Ca 0.01 0.17 -0.19 0.00 0.84 0.00 0.00 57.88 58.71 3ie2 h LEU 71 Cb 0.06 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 3ie2 h LEU 71 CO -0.03 -0.06 -0.78 -0.26 -0.34 0.00 0.00 178.44 176.97 3ie2 h PHE 72 N 0.38 0.55 -0.85 1.25 -1.00 -0.99 -3.05 116.94 113.23 3ie2 h PHE 72 Ca 0.65 -0.26 0.11 0.00 2.81 0.00 0.00 57.97 61.28 3ie2 h PHE 72 Cb 1.34 -0.08 -0.06 0.00 3.61 0.00 0.00 35.95 40.76 3ie2 h PHE 72 CO -0.08 1.03 0.55 -0.09 -1.61 0.00 0.00 178.31 178.11 3ie2 h ARG 73 N 0.26 0.74 -1.10 1.51 2.43 0.10 -2.47 114.38 115.85 3ie2 h ARG 73 Ca -0.04 -0.04 -0.40 0.00 -0.81 0.00 0.00 59.98 58.69 3ie2 h ARG 73 Cb 1.37 -0.17 -0.21 0.00 -0.42 0.00 0.00 29.97 30.55 3ie2 h ARG 73 CO 0.13 0.49 0.51 0.39 -1.51 0.00 0.00 179.97 179.98 3ie2 n GLU 74 N -4.53 1.97 0.00 0.20 1.02 -0.69 -4.90 120.64 113.70 3ie2 n GLU 74 Ca 0.15 -2.16 0.00 0.00 -0.02 0.00 0.00 57.16 55.13 3ie2 n GLU 74 Cb 0.36 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 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 -0.50 3.10 3.53 0.62 0.00 -0.93 -4.41 105.19 106.59 3ie2 n GLY 75 Ca 0.42 -0.96 -0.51 0.00 0.00 0.00 0.00 46.02 44.97 3ie2 n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ie2 n TYR 76 N 0.00 0.84 -2.24 1.61 4.19 -1.17 -4.86 117.16 115.52 3ie2 n TYR 76 Ca 0.00 0.82 0.02 0.00 3.31 0.00 0.00 57.90 62.05 3ie2 n TYR 76 Cb 0.00 -2.18 0.01 0.00 0.49 0.00 0.00 39.34 37.66 3ie2 n TYR 76 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3ie2 n ARG 77 N 1.61 0.00 -2.17 2.98 5.12 -1.26 -4.56 116.66 118.38 3ie2 n ARG 77 Ca 0.17 -1.47 -0.18 0.00 -1.93 0.00 0.00 57.85 54.44 3ie2 n ARG 77 Cb 0.20 -0.24 0.09 0.00 -1.16 0.00 0.00 32.46 31.36 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 0.24 0.74 3.83 -0.13 0.00 -1.26 -5.09 105.19 103.51 3ie2 n GLY 78 Ca 0.02 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.71 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 -4.51 2.81 -0.13 1.61 0.04 -1.26 -4.85 135.00 128.71 3ie2 s PRO 79 Ca 0.52 0.83 -0.02 0.00 0.04 0.00 0.00 61.00 62.36 3ie2 s PRO 79 Cb -0.03 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.57 3ie2 s PRO 79 CO 0.34 -1.15 0.03 0.08 0.04 0.00 0.00 177.00 176.34 3ie2 s VAL 80 N -3.11 0.34 -0.00 -0.36 1.01 -0.13 -3.00 120.40 115.15 3ie2 s VAL 80 Ca 0.58 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 62.35 3ie2 s VAL 80 Cb -0.14 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.50 3ie2 s VAL 80 CO 0.54 0.01 0.27 -0.31 0.00 0.00 0.00 175.10 175.62 3ie2 s TYR 81 N 1.97 3.59 -0.25 5.22 1.51 -0.10 0.44 117.35 129.74 3ie2 s TYR 81 Ca 0.02 0.60 -0.37 0.00 -1.01 0.00 0.00 57.07 56.31 3ie2 s TYR 81 Cb -0.14 -2.01 0.15 0.00 -0.11 0.00 0.00 41.96 39.85 3ie2 s TYR 81 CO -0.07 0.62 1.38 0.00 -1.11 0.00 0.00 175.55 176.38 3ie2 s ALA 82 N -1.26 -2.25 0.80 3.71 0.00 -1.00 -0.41 121.76 121.36 3ie2 s ALA 82 Ca 0.26 1.73 -0.12 0.00 0.00 0.00 0.00 51.96 53.83 3ie2 s ALA 82 Cb -0.13 -0.28 0.08 0.00 0.00 0.00 0.00 23.12 22.79 3ie2 s ALA 82 CO 0.15 -0.64 1.16 0.95 0.00 0.00 0.00 175.76 177.38 3ie2 s THR 83 N -2.06 2.44 0.27 0.00 -4.23 -1.20 -1.55 115.64 109.31 3ie2 s THR 83 Ca 0.12 0.18 -0.02 0.00 -1.18 0.00 0.00 61.69 60.79 3ie2 s THR 83 Cb 0.00 -2.53 0.27 0.00 1.34 0.00 0.00 72.50 71.58 3ie2 s THR 83 CO -0.03 -0.16 1.87 -0.09 -0.54 0.00 0.00 174.62 175.67 3ie2 h ARG 84 N -0.99 1.09 0.24 3.99 9.65 -1.94 -0.34 114.38 126.08 3ie2 h ARG 84 Ca -0.45 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.35 3ie2 h ARG 84 Cb 1.27 -0.25 -0.00 0.00 -1.39 0.00 0.00 29.97 29.60 3ie2 h ARG 84 CO 0.47 0.72 -0.16 0.00 2.80 0.00 0.00 179.97 183.80 3ie2 h ALA 85 N 1.47 -0.99 -0.96 2.80 0.00 -1.90 -1.93 119.26 117.74 3ie2 h ALA 85 Ca 0.44 -0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.52 3ie2 h ALA 85 Cb 0.24 0.31 -0.18 0.00 0.00 0.00 0.00 17.79 18.15 3ie2 h ALA 85 CO -0.19 -0.98 -0.04 1.15 0.00 0.00 0.00 179.25 179.19 3ie2 h THR 86 N -0.38 0.05 -0.71 0.00 2.02 -1.61 0.85 112.91 113.14 3ie2 h THR 86 Ca -0.03 -0.01 0.13 0.00 0.77 0.00 0.00 66.41 67.28 3ie2 h THR 86 Cb 0.31 0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.71 3ie2 h THR 86 CO 0.02 0.00 0.48 0.58 0.37 0.00 0.00 175.52 176.97 3ie2 h VAL 87 N 0.02 0.82 0.15 3.16 2.07 -0.63 0.27 116.25 122.10 3ie2 h VAL 87 Ca 0.55 -0.14 -0.33 0.00 0.82 0.00 0.00 66.70 67.60 3ie2 h VAL 87 Cb 1.06 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3ie2 h VAL 87 CO -0.92 0.08 -1.67 -0.07 0.02 0.00 0.00 177.57 175.01 3ie2 h LEU 88 N 0.41 0.49 -0.85 2.57 3.38 0.14 -3.32 115.31 118.12 3ie2 h LEU 88 Ca 0.34 -0.72 -0.09 0.00 0.09 0.00 0.00 57.88 57.50 3ie2 h LEU 88 Cb 0.76 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3ie2 h LEU 88 CO -0.11 1.61 -0.10 -0.07 0.09 0.00 0.00 178.44 179.87 3ie2 h LEU 89 N 0.08 0.73 -2.24 1.67 3.38 -0.35 -2.89 115.31 115.70 3ie2 h LEU 89 Ca -0.30 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3ie2 h LEU 89 Cb 2.06 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.61 3ie2 h LEU 89 CO 0.16 0.86 -0.04 0.24 0.09 0.00 0.00 178.44 179.76 3ie2 h MET 90 N 0.68 0.00 -0.33 1.13 2.86 -0.61 -1.41 114.93 117.26 3ie2 h MET 90 Ca 0.12 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 3ie2 h MET 90 Cb 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3ie2 h MET 90 CO 0.03 0.04 -0.20 1.49 1.06 0.00 0.00 176.91 179.33 3ie2 h GLU 91 N 0.00 0.71 0.38 1.72 4.81 -1.61 -1.40 114.58 119.20 3ie2 h GLU 91 Ca -0.00 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 3ie2 h GLU 91 Cb 0.10 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.47 3ie2 h GLU 91 CO 0.01 0.94 -0.18 0.82 -0.73 0.00 0.00 179.01 179.86 3ie2 h ILE 92 N 0.48 0.00 -0.99 2.32 2.04 -1.53 -2.90 117.51 116.94 3ie2 h ILE 92 Ca 0.07 -0.18 0.35 0.00 1.00 0.00 0.00 64.86 66.10 3ie2 h ILE 92 Cb 0.75 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.67 3ie2 h ILE 92 CO 0.06 0.00 0.50 0.58 0.00 0.00 0.00 178.15 179.28 3ie2 h VAL 93 N -0.69 0.16 0.02 1.67 2.07 -1.34 -2.08 116.25 116.05 3ie2 h VAL 93 Ca -0.05 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 3ie2 h VAL 93 Cb 0.39 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3ie2 h VAL 93 CO 0.09 0.03 -0.01 -0.07 0.02 0.00 0.00 177.57 177.63 3ie2 h LEU 94 N 0.16 -0.02 -1.14 2.57 4.07 -1.31 -2.01 115.31 117.62 3ie2 h LEU 94 Ca 0.76 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.72 3ie2 h LEU 94 Cb 1.84 0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.58 3ie2 h LEU 94 CO -0.70 0.14 0.60 -0.33 -1.08 0.00 0.00 178.44 177.07 3ie2 h GLU 95 N -0.33 0.00 0.00 1.13 5.08 -1.47 0.29 114.58 119.28 3ie2 h GLU 95 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ie2 h GLU 95 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3ie2 h GLU 95 CO 0.00 0.00 -0.11 0.22 -1.00 0.00 0.00 179.01 178.12 3ie2 h ASP 96 N 0.00 0.00 0.00 1.42 1.82 -1.46 -3.04 116.42 115.15 3ie2 h ASP 96 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 3ie2 h ASP 96 Cb 1.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.21 3ie2 h ASP 96 CO 0.00 0.47 0.30 0.00 -1.61 0.00 0.00 179.24 178.39 3ie2 h ALA 97 N -1.18 1.21 0.01 -0.78 0.00 -0.02 0.73 119.26 119.23 3ie2 h ALA 97 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ie2 h ALA 97 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3ie2 h ALA 97 CO 0.00 -0.21 -0.06 1.25 0.00 0.00 0.00 179.25 180.23 3ie2 h LEU 98 N 0.00 0.05 0.06 0.00 6.46 -0.63 -3.26 115.31 117.99 3ie2 h LEU 98 Ca 0.00 -0.88 -0.00 0.00 -0.12 0.00 0.00 57.88 56.88 3ie2 h LEU 98 Cb 0.59 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 3ie2 h LEU 98 CO 0.00 0.92 -0.03 0.50 -0.62 0.00 0.00 178.44 179.21 3ie2 h LYS 99 N -0.82 -0.08 -2.35 1.25 1.63 0.39 -3.32 116.57 113.27 3ie2 h LYS 99 Ca -0.01 0.01 -0.65 0.00 -0.85 0.00 0.00 60.65 59.15 3ie2 h LYS 99 Cb 0.94 0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 32.43 3ie2 h LYS 99 CO 0.01 0.34 1.53 0.28 -3.45 0.00 0.00 179.45 178.17 3ie2 n VAL 100 N -4.92 4.49 -4.01 2.00 0.31 0.10 -4.89 118.33 111.40 3ie2 n VAL 100 Ca -0.08 -3.85 -0.31 0.00 -0.01 0.00 0.00 64.34 60.08 3ie2 n VAL 100 Cb 0.24 -1.85 -0.15 0.00 -0.91 0.00 0.00 33.84 31.16 3ie2 n VAL 100 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3ie2 s MET 101 N -1.53 2.02 0.04 5.55 0.00 -1.23 -4.78 119.30 119.37 3ie2 s MET 101 Ca 0.56 -1.07 -0.13 0.00 0.00 0.00 0.00 55.69 55.05 3ie2 s MET 101 Cb 0.27 -2.64 -0.05 0.00 0.00 0.00 0.00 34.83 32.40 3ie2 s MET 101 CO -0.15 -0.52 1.20 0.38 0.00 0.00 0.00 175.02 175.93 3ie2 h ASP 102 N 7.90 -0.60 -3.99 1.11 2.03 -1.91 -3.35 116.42 117.61 3ie2 h ASP 102 Ca -0.22 0.06 -0.67 0.00 -0.73 0.00 0.00 57.03 55.47 3ie2 h ASP 102 Cb 1.07 0.22 -0.38 0.00 -0.83 0.00 0.00 39.33 39.42 3ie2 h ASP 102 CO 0.46 -0.20 -0.56 -0.70 -1.03 0.00 0.00 179.24 177.21 3ie2 s GLU 103 N -4.01 2.05 0.53 4.15 2.12 -1.26 -5.09 118.70 117.19 3ie2 s GLU 103 Ca -0.06 -2.28 -0.22 0.00 0.36 0.00 0.00 54.97 52.77 3ie2 s GLU 103 Cb 0.02 -3.47 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 3ie2 s GLU 103 CO 0.22 -1.09 1.32 -1.25 -0.54 0.00 0.00 175.26 173.93 3ie2 s PRO 104 N 0.31 3.24 0.00 4.30 0.04 -1.26 -4.97 135.00 136.66 3ie2 s PRO 104 Ca 0.14 2.15 0.00 0.00 0.04 0.00 0.00 61.00 63.33 3ie2 s PRO 104 Cb -0.22 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.04 3ie2 s PRO 104 CO -0.03 -1.08 0.35 1.97 0.04 0.00 0.00 177.00 178.24 3ie2 n PHE 105 N -0.95 0.00 -3.74 0.56 1.16 -1.26 -5.05 117.46 108.18 3ie2 n PHE 105 Ca 0.10 -0.04 -0.13 0.00 -1.87 0.00 0.00 57.45 55.50 3ie2 n PHE 105 Cb 0.46 -0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.22 3ie2 n PHE 105 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 3ie2 s PHE 106 N -0.09 -0.43 0.53 2.97 -0.71 -1.26 -4.87 117.98 114.13 3ie2 s PHE 106 Ca 0.00 1.03 -0.04 0.00 -1.04 0.00 0.00 56.93 56.88 3ie2 s PHE 106 Cb 0.00 0.15 -0.01 0.00 -1.21 0.00 0.00 43.02 41.95 3ie2 s PHE 106 CO 0.00 -0.22 0.82 0.20 -1.34 0.00 0.00 175.22 174.68 3ie2 s GLY 107 N 0.13 1.57 0.58 1.99 0.00 -1.26 -4.93 107.32 105.40 3ie2 s GLY 107 Ca -0.01 -0.73 0.29 0.00 0.00 0.00 0.00 44.72 44.27 3ie2 s GLY 107 CO 0.01 -0.50 1.94 -0.56 0.00 0.00 0.00 173.10 173.99 3ie2 h PRO 108 N 0.05 0.00 -0.07 2.90 0.13 -2.00 0.44 132.00 133.45 3ie2 h PRO 108 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 3ie2 h PRO 108 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 3ie2 h PRO 108 CO 0.60 0.00 -0.17 0.93 -0.23 0.00 0.00 178.00 179.14 3ie2 h GLU 109 N 0.00 0.11 0.00 0.86 3.07 -2.01 0.99 114.58 117.59 3ie2 h GLU 109 Ca 0.20 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 3ie2 h GLU 109 Cb 1.06 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 3ie2 h GLU 109 CO -0.00 0.28 0.00 -0.25 -1.40 0.00 0.00 179.01 177.63 3ie2 n ASP 110 N -4.29 0.28 -0.08 1.42 8.00 0.15 -3.08 116.55 118.95 3ie2 n ASP 110 Ca -0.02 0.53 -0.11 0.00 0.71 0.00 0.00 54.79 55.91 3ie2 n ASP 110 Cb 0.26 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.69 3ie2 n ASP 110 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3ie2 h VAL 111 N 0.00 0.61 -0.95 2.53 2.07 -0.70 -3.15 116.25 116.65 3ie2 h VAL 111 Ca 0.00 -1.61 0.07 0.00 0.82 0.00 0.00 66.70 65.98 3ie2 h VAL 111 Cb 0.55 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 3ie2 h VAL 111 CO 0.00 0.21 0.62 1.05 0.02 0.00 0.00 177.57 179.46 3ie2 h GLU 112 N -1.00 1.05 0.57 1.57 4.11 -1.48 -1.12 114.58 118.28 3ie2 h GLU 112 Ca -0.11 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.24 3ie2 h GLU 112 Cb 0.74 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 3ie2 h GLU 112 CO -0.07 0.70 -0.50 1.49 0.07 0.00 0.00 179.01 180.70 3ie2 h GLU 113 N 1.09 -1.01 -0.40 1.06 4.57 -1.70 0.85 114.58 119.03 3ie2 h GLU 113 Ca 0.42 0.07 0.08 0.00 -1.18 0.00 0.00 59.36 58.74 3ie2 h GLU 113 Cb 0.21 0.23 -0.09 0.00 -0.16 0.00 0.00 28.75 28.94 3ie2 h GLU 113 CO -0.16 -0.67 -0.34 0.00 -1.18 0.00 0.00 179.01 176.65 3ie2 h ALA 114 N -0.98 -0.21 -0.91 2.92 0.00 -1.35 0.33 119.26 119.07 3ie2 h ALA 114 Ca -0.07 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3ie2 h ALA 114 Cb 0.89 0.73 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 3ie2 h ALA 114 CO -0.02 -0.74 0.55 -0.07 0.00 0.00 0.00 179.25 178.96 3ie2 h LEU 115 N -0.26 0.81 -1.08 0.00 3.38 -1.04 -0.78 115.31 116.33 3ie2 h LEU 115 Ca 0.17 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3ie2 h LEU 115 Cb 0.55 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ie2 h LEU 115 CO -0.55 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.05 3ie2 n GLY 116 N -1.33 -0.94 1.01 0.83 0.00 0.28 -1.23 105.19 103.80 3ie2 n GLY 116 Ca 0.16 0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.41 3ie2 n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ie2 n HIS 117 N -2.16 0.75 -2.62 1.61 8.25 -0.30 -4.96 115.22 115.79 3ie2 n HIS 117 Ca -0.00 -0.51 -0.42 0.00 -0.26 0.00 0.00 57.72 56.53 3ie2 n HIS 117 Cb 0.09 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.04 4.35 -0.05 2.41 1.43 -0.37 -0.96 118.68 124.45 3ie2 s LEU 118 Ca 0.37 1.75 0.03 0.00 -1.03 0.00 0.00 54.13 55.25 3ie2 s LEU 118 Cb 0.19 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.85 3ie2 s LEU 118 CO 0.24 -0.36 -0.14 -0.13 0.23 0.00 0.00 176.35 176.20 3ie2 s ARG 119 N 1.22 1.61 0.50 1.70 0.52 0.17 -4.92 118.95 119.76 3ie2 s ARG 119 Ca 0.54 -0.48 -0.21 0.00 -0.52 0.00 0.00 55.73 55.06 3ie2 s ARG 119 Cb -0.23 -1.38 -0.07 0.00 0.52 0.00 0.00 34.95 33.79 3ie2 s ARG 119 CO 0.27 0.14 1.12 -1.25 0.02 0.00 0.00 175.30 175.59 3ie2 s PRO 120 N 0.31 3.57 -0.23 3.54 0.04 -1.26 -2.36 135.00 138.61 3ie2 s PRO 120 Ca -0.08 1.62 -0.05 0.00 0.04 0.00 0.00 61.00 62.52 3ie2 s PRO 120 Cb -0.13 -2.16 0.12 0.00 0.04 0.00 0.00 34.50 32.38 3ie2 s PRO 120 CO 0.03 -0.67 0.45 -1.17 0.04 0.00 0.00 177.00 175.68 3ie2 s LEU 121 N -3.48 -0.78 0.71 -3.56 0.20 -0.60 -4.77 118.68 106.40 3ie2 s LEU 121 Ca 0.69 0.82 -0.01 0.00 0.69 0.00 0.00 54.13 56.32 3ie2 s LEU 121 Cb -0.24 1.48 0.12 0.00 -0.43 0.00 0.00 46.19 47.12 3ie2 s LEU 121 CO 0.28 -0.25 0.98 -1.61 -0.29 0.00 0.00 176.35 175.45 3ie2 s GLU 122 N 2.65 1.77 0.38 1.98 0.41 -1.26 -3.24 118.70 121.39 3ie2 s GLU 122 Ca 0.05 -1.05 -0.27 0.00 -0.41 0.00 0.00 54.97 53.28 3ie2 s GLU 122 Cb -0.13 -2.34 -0.10 0.00 -1.78 0.00 0.00 34.13 29.78 3ie2 s GLU 122 CO -0.15 -1.38 1.35 0.71 -0.49 0.00 0.00 175.26 175.30 3ie2 s TYR 123 N -3.11 2.83 0.00 1.61 2.02 -1.26 -2.58 117.35 116.86 3ie2 s TYR 123 Ca 0.65 1.35 0.00 0.00 -0.37 0.00 0.00 57.07 58.71 3ie2 s TYR 123 Cb -0.06 -3.76 0.00 0.00 -0.40 0.00 0.00 41.96 37.74 3ie2 s TYR 123 CO 0.44 -2.25 0.00 0.41 -1.57 0.00 0.00 175.55 172.58 3ie2 n GLY 124 N 0.66 2.96 3.78 0.71 0.00 -0.88 -4.95 105.19 107.47 3ie2 n GLY 124 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 4.21 -0.18 1.61 2.02 -1.06 -4.94 118.70 120.36 3ie2 s GLU 125 Ca 0.00 1.50 -0.04 0.00 0.02 0.00 0.00 54.97 56.45 3ie2 s GLU 125 Cb 0.00 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 3ie2 s GLU 125 CO 0.00 -0.10 -0.03 -1.58 0.02 0.00 0.00 175.26 173.57 3ie2 s TRP 126 N -1.65 3.00 0.06 1.61 0.52 -1.26 -4.18 118.94 117.04 3ie2 s TRP 126 Ca 0.57 -0.45 -0.01 0.00 0.02 0.00 0.00 56.10 56.23 3ie2 s TRP 126 Cb -0.22 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.05 3ie2 s TRP 126 CO 0.27 -0.18 0.22 -1.17 0.02 0.00 0.00 176.95 176.12 3ie2 s LEU 127 N 0.71 4.35 -0.12 2.99 2.96 0.16 -4.94 118.68 124.81 3ie2 s LEU 127 Ca -0.02 0.31 -0.03 0.00 -0.22 0.00 0.00 54.13 54.18 3ie2 s LEU 127 Cb -0.14 -2.94 0.05 0.00 0.50 0.00 0.00 46.19 43.65 3ie2 s LEU 127 CO 0.02 0.17 0.05 -0.13 -1.32 0.00 0.00 176.35 175.15 3ie2 s ARG 128 N -2.44 0.25 -0.04 1.98 0.52 -1.26 -1.66 118.95 116.31 3ie2 s ARG 128 Ca 0.34 0.02 0.07 0.00 -0.52 0.00 0.00 55.73 55.64 3ie2 s ARG 128 Cb -0.13 -1.35 -0.01 0.00 0.52 0.00 0.00 34.95 33.98 3ie2 s ARG 128 CO 0.26 -0.49 -0.25 -0.51 0.02 0.00 0.00 175.30 174.33 3ie2 s LEU 129 N 2.06 2.06 0.00 2.53 1.43 -1.13 -4.98 118.68 120.65 3ie2 s LEU 129 Ca 0.03 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3ie2 s LEU 129 Cb -0.14 -1.35 0.00 0.00 0.03 0.00 0.00 46.19 44.73 3ie2 s LEU 129 CO -0.06 0.28 0.00 0.61 0.23 0.00 0.00 176.35 177.40 3ie2 n GLY 130 N 2.72 2.52 1.62 -3.19 0.00 -1.26 0.03 105.19 107.63 3ie2 n GLY 130 Ca -0.17 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 3ie2 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie2 n ALA 131 N 9.34 4.92 -2.54 4.61 0.00 -0.87 -4.99 120.51 130.99 3ie2 n ALA 131 Ca 0.00 -3.19 -0.31 0.00 0.00 0.00 0.00 53.44 49.95 3ie2 n ALA 131 Cb 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 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 -3.36 2.94 -0.15 0.00 2.96 0.10 -4.36 118.68 116.82 3ie2 s LEU 132 Ca 0.50 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 54.09 3ie2 s LEU 132 Cb 0.44 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 45.44 3ie2 s LEU 132 CO 0.03 0.24 -0.06 -0.44 -1.32 0.00 0.00 176.35 174.79 3ie2 s SER 133 N -1.69 2.60 0.03 3.68 0.01 0.79 -2.85 113.70 116.27 3ie2 s SER 133 Ca 0.18 -0.54 0.05 0.00 1.31 0.00 0.00 55.95 56.95 3ie2 s SER 133 Cb -0.11 -0.88 -0.03 0.00 0.21 0.00 0.00 66.02 65.21 3ie2 s SER 133 CO 0.09 -0.16 -0.13 -0.76 0.41 0.00 0.00 173.24 172.69 3ie2 s LEU 134 N 1.67 2.88 -0.08 2.44 1.43 -0.66 -0.77 118.68 125.58 3ie2 s LEU 134 Ca 0.02 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.71 3ie2 s LEU 134 Cb -0.14 -1.67 0.02 0.00 0.03 0.00 0.00 46.19 44.43 3ie2 s LEU 134 CO -0.08 0.26 0.28 0.00 0.23 0.00 0.00 176.35 177.05 3ie2 s ALA 135 N -0.98 -0.70 -0.04 4.21 0.00 0.24 -0.66 121.76 123.84 3ie2 s ALA 135 Ca 0.16 0.63 -0.19 0.00 0.00 0.00 0.00 51.96 52.57 3ie2 s ALA 135 Cb -0.11 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.66 3ie2 s ALA 135 CO 0.07 -0.17 0.52 -0.06 0.00 0.00 0.00 175.76 176.12 3ie2 s PHE 136 N -0.31 3.64 0.07 0.00 0.08 -1.26 -0.02 117.98 120.18 3ie2 s PHE 136 Ca -0.04 1.06 0.06 0.00 0.12 0.00 0.00 56.93 58.13 3ie2 s PHE 136 Cb -0.03 -2.52 -0.04 0.00 -0.57 0.00 0.00 43.02 39.86 3ie2 s PHE 136 CO 0.01 0.36 -0.08 0.20 -0.10 0.00 0.00 175.22 175.61 3ie2 s GLY 137 N -0.14 1.79 -0.02 4.36 0.00 0.18 -2.07 107.32 111.41 3ie2 s GLY 137 Ca 0.28 -1.16 -0.30 0.00 0.00 0.00 0.00 44.72 43.54 3ie2 s GLY 137 CO 0.14 -1.10 1.92 1.62 0.00 0.00 0.00 173.10 175.68 3ie2 s GLN 138 N -1.96 4.02 -0.02 2.90 2.00 -1.26 -0.25 119.66 125.09 3ie2 s GLN 138 Ca 0.20 2.42 0.21 0.00 -2.00 0.00 0.00 55.36 56.20 3ie2 s GLN 138 Cb -0.11 -4.15 -0.28 0.00 0.80 0.00 0.00 33.01 29.27 3ie2 s GLN 138 CO 0.12 -1.08 0.51 0.00 -0.50 0.00 0.00 175.29 174.34 3ie2 n ALA 139 N 7.98 2.59 -3.93 1.58 0.00 -0.63 -0.93 120.51 127.16 3ie2 n ALA 139 Ca 0.20 -0.58 -0.26 0.00 0.00 0.00 0.00 53.44 52.81 3ie2 n ALA 139 Cb 0.42 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 19.12 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 1.31 -0.26 0.00 0.00 0.00 -1.25 -1.93 105.19 103.07 3ie2 n GLY 140 Ca -0.07 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -4.39 0.00 -3.59 1.61 -0.00 -1.26 -2.94 115.22 104.64 3ie2 n HIS 141 Ca -0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.38 3ie2 n HIS 141 Cb 0.67 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.61 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 -2.11 -0.25 -0.53 0.27 1.43 -1.26 -4.86 118.68 111.37 3ie2 s LEU 142 Ca 0.00 0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 53.03 3ie2 s LEU 142 Cb 0.00 1.60 -0.11 0.00 0.03 0.00 0.00 46.19 47.71 3ie2 s LEU 142 CO 0.00 -0.26 2.39 -2.65 0.23 0.00 0.00 176.35 176.06 3ie2 n PRO 143 N 0.51 0.93 -0.16 1.29 -0.02 -1.26 0.89 135.00 137.17 3ie2 n PRO 143 Ca -0.06 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3ie2 n PRO 143 Cb 0.58 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 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 6.24 0.91 3.73 -1.23 0.00 -1.26 -4.00 105.19 109.58 3ie2 n GLY 144 Ca 0.44 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.11 7.39 0.02 1.61 1.04 0.26 -4.50 113.70 117.40 3ie2 s SER 145 Ca 0.00 1.87 -0.04 0.00 0.48 0.00 0.00 55.95 58.26 3ie2 s SER 145 Cb 0.00 -2.59 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 3ie2 s SER 145 CO 0.00 -0.16 0.07 0.00 0.98 0.00 0.00 173.24 174.13 3ie2 s ALA 146 N 0.15 -0.10 -0.01 5.32 0.00 0.67 -1.61 121.76 126.18 3ie2 s ALA 146 Ca 0.49 -0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.03 3ie2 s ALA 146 Cb -0.25 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3ie2 s ALA 146 CO 0.31 -0.22 0.11 -0.59 0.00 0.00 0.00 175.76 175.37 3ie2 s PHE 147 N -1.75 3.37 -0.05 0.00 -0.71 0.66 -4.56 117.98 114.94 3ie2 s PHE 147 Ca -0.12 0.26 -0.15 0.00 -1.04 0.00 0.00 56.93 55.88 3ie2 s PHE 147 Cb -0.07 -1.77 -0.05 0.00 -1.21 0.00 0.00 43.02 39.92 3ie2 s PHE 147 CO -0.01 0.59 0.40 0.08 -1.34 0.00 0.00 175.22 174.94 3ie2 s VAL 148 N -1.22 5.11 -0.15 -2.49 1.01 -0.26 0.51 120.40 122.91 3ie2 s VAL 148 Ca 0.24 0.82 -0.00 0.00 0.00 0.00 0.00 61.98 63.03 3ie2 s VAL 148 Cb -0.12 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 3ie2 s VAL 148 CO 0.15 0.49 -0.13 -0.69 0.00 0.00 0.00 175.10 174.92 3ie2 s VAL 149 N -0.46 2.92 -0.03 2.92 1.01 0.96 -0.33 120.40 127.40 3ie2 s VAL 149 Ca 0.23 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.58 3ie2 s VAL 149 Cb -0.16 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 3ie2 s VAL 149 CO 0.11 0.51 -0.21 0.00 0.00 0.00 0.00 175.10 175.51 3ie2 s ALA 150 N 0.70 1.81 -0.02 5.51 0.00 0.12 -0.59 121.76 129.28 3ie2 s ALA 150 Ca -0.06 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 3ie2 s ALA 150 Cb -0.15 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.48 3ie2 s ALA 150 CO 0.02 0.40 0.05 -1.14 0.00 0.00 0.00 175.76 175.09 3ie2 s GLN 151 N -0.33 0.01 0.00 0.00 -0.44 0.05 -0.19 119.66 118.76 3ie2 s GLN 151 Ca 0.04 0.15 0.00 0.00 -2.50 0.00 0.00 55.36 53.04 3ie2 s GLN 151 Cb -0.10 -0.12 0.00 0.00 -1.64 0.00 0.00 33.01 31.15 3ie2 s GLN 151 CO 0.01 -0.10 0.00 0.41 0.50 0.00 0.00 175.29 176.11 3ie2 n GLY 152 N 3.70 1.34 3.34 2.59 0.00 -0.28 -0.15 105.19 115.73 3ie2 n GLY 152 Ca -0.21 -0.29 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.14 -4.55 -0.92 1.61 1.02 -1.26 -0.54 120.64 115.86 3ie2 n GLU 153 Ca 0.00 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.81 3ie2 n GLU 153 Cb 0.00 -5.49 0.00 0.00 -0.02 0.00 0.00 31.44 25.93 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 -1.43 0.52 3.49 0.62 0.00 -1.26 -4.99 105.19 102.13 3ie2 n GLY 154 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 3ie2 n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie2 s ARG 155 N -0.47 1.74 -0.05 1.61 1.81 0.30 -5.10 118.95 118.79 3ie2 s ARG 155 Ca 0.00 -1.57 0.01 0.00 -1.72 0.00 0.00 55.73 52.45 3ie2 s ARG 155 Cb 0.00 -1.89 0.02 0.00 -0.45 0.00 0.00 34.95 32.63 3ie2 s ARG 155 CO 0.00 0.37 -0.06 0.99 -0.68 0.00 0.00 175.30 175.92 3ie2 s THR 156 N -2.08 0.66 -0.07 0.02 2.01 -1.26 -1.13 115.64 113.79 3ie2 s THR 156 Ca 0.26 -0.19 0.05 0.00 0.31 0.00 0.00 61.69 62.13 3ie2 s THR 156 Cb -0.07 -0.66 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 3ie2 s THR 156 CO 0.14 0.25 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.86 3ie2 s LEU 157 N 0.90 2.11 -0.09 4.42 2.96 0.73 -0.96 118.68 128.76 3ie2 s LEU 157 Ca -0.11 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.32 3ie2 s LEU 157 Cb -0.15 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.14 3ie2 s LEU 157 CO 0.01 0.23 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.39 3ie2 s VAL 158 N -0.05 2.63 -0.29 1.68 1.01 -0.43 0.13 120.40 125.08 3ie2 s VAL 158 Ca -0.07 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3ie2 s VAL 158 Cb -0.15 -2.04 0.08 0.00 0.00 0.00 0.00 36.38 34.28 3ie2 s VAL 158 CO 0.05 0.56 -0.01 -0.47 0.00 0.00 0.00 175.10 175.23 3ie2 s TYR 159 N -0.06 3.12 0.15 5.22 6.04 0.55 -0.75 117.35 131.62 3ie2 s TYR 159 Ca -0.04 -2.43 -0.21 0.00 0.04 0.00 0.00 57.07 54.43 3ie2 s TYR 159 Cb -0.14 -2.25 0.03 0.00 -1.04 0.00 0.00 41.96 38.56 3ie2 s TYR 159 CO 0.04 -0.89 1.66 0.66 -1.54 0.00 0.00 175.55 175.48 3ie2 h SER 160 N 7.78 -0.51 0.00 4.32 4.64 -1.61 -0.67 113.55 127.50 3ie2 h SER 160 Ca -0.12 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ie2 h SER 160 Cb 1.04 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3ie2 h SER 160 CO 0.48 -0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.85 3ie2 n GLY 161 N -1.32 0.62 3.48 -0.77 0.00 -1.26 -4.22 105.19 101.72 3ie2 n GLY 161 Ca -0.01 -0.84 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 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 6.13 0.59 1.61 -0.00 -1.26 -4.37 116.67 115.38 3ie2 s ASP 162 Ca 0.00 -0.75 -0.13 0.00 -0.00 0.00 0.00 52.55 51.67 3ie2 s ASP 162 Cb 0.00 -2.18 -0.05 0.00 -0.00 0.00 0.00 42.92 40.69 3ie2 s ASP 162 CO 0.00 -0.46 1.02 -0.76 -0.00 0.00 0.00 175.17 174.96 3ie2 s LEU 163 N 1.84 3.35 0.00 1.23 1.02 -1.26 -4.50 118.68 120.36 3ie2 s LEU 163 Ca 0.08 1.47 0.04 0.00 0.02 0.00 0.00 54.13 55.73 3ie2 s LEU 163 Cb -0.18 -4.48 0.04 0.00 0.02 0.00 0.00 46.19 41.58 3ie2 s LEU 163 CO 0.11 -0.79 0.30 0.61 0.02 0.00 0.00 176.35 176.60 3ie2 n GLY 164 N -2.37 2.45 3.43 -3.19 0.00 -0.81 -3.27 105.19 101.43 3ie2 n GLY 164 Ca 0.06 -2.21 -0.44 0.00 0.00 0.00 0.00 46.02 43.44 3ie2 n GLY 164 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ie2 s ASN 165 N -2.71 6.19 0.00 1.61 3.04 -1.17 -3.37 114.94 118.52 3ie2 s ASN 165 Ca 0.23 -1.08 0.00 0.00 0.04 0.00 0.00 52.86 52.04 3ie2 s ASN 165 Cb -0.02 -2.37 0.00 0.00 -1.54 0.00 0.00 41.25 37.32 3ie2 s ASN 165 CO 0.14 -1.27 0.00 -2.11 -3.04 0.00 0.00 177.10 170.82 3ie2 n ARG 166 N 7.11 0.00 -0.11 0.43 1.85 -1.26 -2.68 116.66 122.00 3ie2 n ARG 166 Ca -0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.63 3ie2 n ARG 166 Cb 0.45 -1.00 -0.09 0.00 -1.05 0.00 0.00 32.46 30.76 3ie2 n ARG 166 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3ie2 n GLU 167 N -0.39 0.52 -0.17 2.89 1.02 -1.26 -4.91 120.64 118.34 3ie2 n GLU 167 Ca 0.00 0.14 -0.06 0.00 -0.02 0.00 0.00 57.16 57.22 3ie2 n GLU 167 Cb 0.00 -1.40 0.06 0.00 -0.02 0.00 0.00 31.44 30.08 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 -3.28 -0.63 0.00 3.49 5.02 -1.09 -4.92 118.16 116.75 3ie2 n LYS 168 Ca -0.39 -0.28 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 3ie2 n LYS 168 Cb 0.88 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 35.36 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 -1.58 3.37 -0.24 4.39 9.92 -1.26 -4.83 116.55 126.32 3ie2 n ASP 169 Ca 0.03 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.23 3ie2 n ASP 169 Cb 0.11 0.53 0.05 0.00 -0.64 0.00 0.00 41.12 41.17 3ie2 n ASP 169 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3ie2 h VAL 170 N 0.00 1.18 -2.49 2.53 2.07 -1.97 -3.39 116.25 114.17 3ie2 h VAL 170 Ca 0.00 -0.34 -0.53 0.00 0.82 0.00 0.00 66.70 66.65 3ie2 h VAL 170 Cb 0.28 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 3ie2 h VAL 170 CO 0.00 0.17 -0.47 -0.76 0.02 0.00 0.00 177.57 176.54 3ie2 s LEU 171 N -10.12 4.30 0.67 2.57 2.01 -1.26 -0.78 118.68 116.08 3ie2 s LEU 171 Ca -0.13 0.13 -0.11 0.00 0.01 0.00 0.00 54.13 54.03 3ie2 s LEU 171 Cb 0.14 -2.87 -0.01 0.00 0.01 0.00 0.00 46.19 43.46 3ie2 s LEU 171 CO 0.77 0.03 1.06 -2.16 1.01 0.00 0.00 176.35 177.05 3ie2 s PRO 172 N -3.37 3.17 0.56 1.29 0.04 -1.26 -4.47 135.00 130.96 3ie2 s PRO 172 Ca 0.34 0.74 -0.21 0.00 0.04 0.00 0.00 61.00 61.91 3ie2 s PRO 172 Cb -0.11 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 3ie2 s PRO 172 CO 0.28 -0.88 1.29 -0.51 0.04 0.00 0.00 177.00 177.22 3ie2 s ASP 173 N -4.09 5.30 0.24 6.66 1.01 -1.26 -4.24 116.67 120.29 3ie2 s ASP 173 Ca 0.57 2.59 -0.30 0.00 0.71 0.00 0.00 52.55 56.12 3ie2 s ASP 173 Cb -0.12 -2.62 -0.09 0.00 1.01 0.00 0.00 42.92 41.10 3ie2 s ASP 173 CO 0.54 -1.53 1.15 -2.84 0.21 0.00 0.00 175.17 172.69 3ie2 s PRO 174 N -3.03 4.57 0.20 8.23 0.02 -1.26 -4.65 135.00 139.08 3ie2 s PRO 174 Ca 0.73 1.85 -0.24 0.00 0.02 0.00 0.00 61.00 63.36 3ie2 s PRO 174 Cb -0.36 -3.20 -0.08 0.00 0.02 0.00 0.00 34.50 30.87 3ie2 s PRO 174 CO 0.41 0.07 0.79 0.45 -0.33 0.00 0.00 177.00 178.40 3ie2 s SER 175 N -0.46 7.32 0.56 2.53 0.15 -0.11 -5.00 113.70 118.68 3ie2 s SER 175 Ca 0.48 1.63 -0.20 0.00 0.70 0.00 0.00 55.95 58.56 3ie2 s SER 175 Cb -0.33 -2.50 -0.05 0.00 -1.71 0.00 0.00 66.02 61.44 3ie2 s SER 175 CO 0.40 0.13 1.19 -0.76 1.20 0.00 0.00 173.24 175.40 3ie2 s LEU 176 N -1.45 3.75 0.67 3.45 1.43 -1.26 -4.79 118.68 120.48 3ie2 s LEU 176 Ca 0.39 2.34 -0.06 0.00 -1.03 0.00 0.00 54.13 55.77 3ie2 s LEU 176 Cb -0.21 -4.52 0.05 0.00 0.03 0.00 0.00 46.19 41.53 3ie2 s LEU 176 CO 0.25 -1.38 0.98 -2.16 0.23 0.00 0.00 176.35 174.27 3ie2 s PRO 177 N -3.20 2.36 0.84 1.29 0.04 -1.26 -5.03 135.00 130.04 3ie2 s PRO 177 Ca 0.74 -0.24 -0.13 0.00 0.04 0.00 0.00 61.00 61.41 3ie2 s PRO 177 Cb -0.29 -2.21 0.11 0.00 0.04 0.00 0.00 34.50 32.15 3ie2 s PRO 177 CO 0.32 -1.10 1.21 -1.25 0.04 0.00 0.00 177.00 176.22 3ie2 s PRO 178 N -5.17 1.63 0.13 0.56 0.04 -1.26 -4.98 135.00 125.95 3ie2 s PRO 178 Ca 0.59 -0.06 -0.31 0.00 0.04 0.00 0.00 61.00 61.26 3ie2 s PRO 178 Cb -0.11 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 3ie2 s PRO 178 CO 0.44 -1.79 1.34 -1.17 0.04 0.00 0.00 177.00 175.87 3ie2 s LEU 179 N -5.64 4.38 0.12 -3.56 2.96 -1.26 -5.00 118.68 110.68 3ie2 s LEU 179 Ca 0.65 2.30 0.04 0.00 -0.22 0.00 0.00 54.13 56.90 3ie2 s LEU 179 Cb -0.09 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 3ie2 s LEU 179 CO 0.50 -0.60 -0.10 0.00 -1.32 0.00 0.00 176.35 174.83 3ie2 s ALA 180 N 0.85 1.25 0.19 5.97 0.00 -1.26 -4.98 121.76 123.78 3ie2 s ALA 180 Ca 0.62 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3ie2 s ALA 180 Cb -0.36 0.04 0.08 0.00 0.00 0.00 0.00 23.12 22.89 3ie2 s ALA 180 CO 0.32 -0.07 1.45 -0.44 0.00 0.00 0.00 175.76 177.02 3ie2 h ASP 181 N 3.20 0.41 -3.38 0.00 3.45 -1.42 -3.41 116.42 115.27 3ie2 h ASP 181 Ca -0.37 -0.27 -0.17 0.00 0.43 0.00 0.00 57.03 56.65 3ie2 h ASP 181 Cb 1.19 -0.12 -0.28 0.00 -0.56 0.00 0.00 39.33 39.55 3ie2 h ASP 181 CO 0.58 1.00 -0.42 -0.22 -1.57 0.00 0.00 179.24 178.61 3ie2 s LEU 182 N -7.88 0.34 -0.24 1.55 2.96 -1.11 -4.32 118.68 109.98 3ie2 s LEU 182 Ca -0.05 0.63 -0.01 0.00 -0.22 0.00 0.00 54.13 54.48 3ie2 s LEU 182 Cb 0.11 0.94 0.03 0.00 0.50 0.00 0.00 46.19 47.76 3ie2 s LEU 182 CO 0.83 -0.16 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.92 3ie2 s VAL 183 N 1.15 2.68 -0.67 1.68 1.01 -0.87 -1.31 120.40 124.06 3ie2 s VAL 183 Ca -0.08 -1.10 -0.21 0.00 0.00 0.00 0.00 61.98 60.59 3ie2 s VAL 183 Cb -0.09 -2.37 0.09 0.00 0.00 0.00 0.00 36.38 34.02 3ie2 s VAL 183 CO -0.08 0.21 0.90 -0.22 0.00 0.00 0.00 175.10 175.90 3ie2 s LEU 184 N 1.29 4.80 0.19 3.92 2.96 0.07 -0.94 118.68 130.97 3ie2 s LEU 184 Ca -0.01 -1.27 0.06 0.00 -0.22 0.00 0.00 54.13 52.70 3ie2 s LEU 184 Cb -0.17 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 3ie2 s LEU 184 CO -0.06 -1.29 0.11 0.00 -1.32 0.00 0.00 176.35 173.80 3ie2 s ALA 185 N 3.44 3.48 0.47 5.97 0.00 -1.04 -1.68 121.76 132.39 3ie2 s ALA 185 Ca 0.20 -1.31 -0.04 0.00 0.00 0.00 0.00 51.96 50.81 3ie2 s ALA 185 Cb -0.18 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.67 3ie2 s ALA 185 CO 0.06 0.43 0.74 -1.83 0.00 0.00 0.00 175.76 175.17 3ie2 s GLU 186 N -3.26 3.38 -0.01 0.00 -1.05 -1.26 -1.40 118.70 115.10 3ie2 s GLU 186 Ca 0.31 -0.01 0.02 0.00 -0.15 0.00 0.00 54.97 55.14 3ie2 s GLU 186 Cb -0.09 -2.44 0.04 0.00 -0.44 0.00 0.00 34.13 31.20 3ie2 s GLU 186 CO 0.23 -0.22 1.02 0.41 0.95 0.00 0.00 175.26 177.64 3ie2 n GLY 187 N -2.20 0.96 0.59 -3.83 0.00 -0.05 -4.85 105.19 95.81 3ie2 n GLY 187 Ca 0.00 -0.14 0.44 0.00 0.00 0.00 0.00 46.02 46.33 3ie2 n GLY 187 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ie2 n THR 188 N -0.14 -0.01 -3.13 2.61 -1.04 -0.66 -1.46 114.28 110.46 3ie2 n THR 188 Ca 0.02 1.26 -0.21 0.00 -2.04 0.00 0.00 64.05 63.08 3ie2 n THR 188 Cb 0.70 -2.10 -0.05 0.00 -1.82 0.00 0.00 70.33 67.06 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 -3.65 -0.72 1.05 -1.42 4.02 -1.26 -4.90 117.16 110.28 3ie2 n TYR 189 Ca 0.37 -3.34 0.11 0.00 -0.01 0.00 0.00 57.90 55.03 3ie2 n TYR 189 Cb 1.67 -0.10 0.07 0.00 -0.02 0.00 0.00 39.34 40.97 3ie2 n TYR 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ie2 n GLY 190 N 1.34 -0.43 0.09 2.72 0.00 -0.53 0.55 105.19 108.93 3ie2 n GLY 190 Ca 0.20 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 3ie2 n GLY 190 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ie2 h ASP 191 N 1.46 0.20 -5.11 1.61 -0.00 -1.84 -3.34 116.42 109.40 3ie2 h ASP 191 Ca 0.00 -0.92 -0.03 0.00 -0.00 0.00 0.00 57.03 56.08 3ie2 h ASP 191 Cb 0.63 -0.07 -0.10 0.00 -0.00 0.00 0.00 39.33 39.79 3ie2 h ASP 191 CO 0.00 1.11 -0.01 0.00 -0.00 0.00 0.00 179.24 180.34 3ie2 s ARG 192 N -2.55 1.39 0.21 4.15 3.03 -1.26 -4.96 118.95 118.96 3ie2 s ARG 192 Ca -0.16 -0.93 -0.10 0.00 2.03 0.00 0.00 55.73 56.56 3ie2 s ARG 192 Cb -0.01 0.51 -0.07 0.00 -1.03 0.00 0.00 34.95 34.35 3ie2 s ARG 192 CO 0.75 -0.58 0.55 -1.25 -1.13 0.00 0.00 175.30 173.63 3ie2 s PRO 193 N -3.90 3.83 0.00 3.89 0.04 -1.26 -2.92 135.00 134.69 3ie2 s PRO 193 Ca 0.11 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.46 3ie2 s PRO 193 Cb -0.01 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.84 3ie2 s PRO 193 CO -0.01 0.35 0.00 0.72 0.04 0.00 0.00 177.00 178.09 3ie2 n HIS 194 N 0.03 -1.81 -3.83 0.56 8.25 -1.26 -4.97 115.22 112.18 3ie2 n HIS 194 Ca -0.01 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.12 3ie2 n HIS 194 Cb 0.52 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.58 3ie2 n HIS 194 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 3ie2 s ARG 195 N -1.65 3.51 0.19 -0.41 3.03 -1.26 -5.04 118.95 117.32 3ie2 s ARG 195 Ca 0.00 -0.23 -0.32 0.00 2.03 0.00 0.00 55.73 57.21 3ie2 s ARG 195 Cb 0.00 -3.06 -0.15 0.00 -1.03 0.00 0.00 34.95 30.71 3ie2 s ARG 195 CO 0.00 0.64 1.25 -2.30 -1.13 0.00 0.00 175.30 173.76 3ie2 n PRO 196 N 0.82 1.47 -0.20 3.89 -0.02 -1.26 -4.45 135.00 135.25 3ie2 n PRO 196 Ca -0.09 0.52 -0.07 0.00 -2.02 0.00 0.00 63.50 61.84 3ie2 n PRO 196 Cb 0.52 -2.08 0.03 0.00 -0.02 0.00 0.00 33.50 31.95 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 3.71 0.77 0.00 6.00 5.03 -1.92 -2.26 116.97 128.30 3ie2 h TYR 197 Ca -0.44 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 60.86 3ie2 h TYR 197 Cb 1.32 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 39.35 3ie2 h TYR 197 CO 0.55 0.55 0.00 -2.13 -1.32 0.00 0.00 178.16 175.81 3ie2 n ARG 198 N -4.61 0.00 0.25 1.82 3.00 -1.26 -1.32 116.66 114.54 3ie2 n ARG 198 Ca 0.03 0.82 0.09 0.00 -0.00 0.00 0.00 57.85 58.80 3ie2 n ARG 198 Cb 0.08 -1.35 0.67 0.00 0.00 0.00 0.00 32.46 31.86 3ie2 n ARG 198 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 3ie2 h GLU 199 N 0.00 0.00 -0.35 -0.14 4.11 -1.96 -2.45 114.58 113.78 3ie2 h GLU 199 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 3ie2 h GLU 199 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3ie2 h GLU 199 CO 0.00 0.00 0.13 1.15 0.07 0.00 0.00 179.01 180.36 3ie2 h THR 200 N 0.00 1.14 -0.04 -1.06 2.02 -0.57 -1.04 112.91 113.37 3ie2 h THR 200 Ca 0.01 -0.46 -0.16 0.00 0.77 0.00 0.00 66.41 66.57 3ie2 h THR 200 Cb 0.04 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 3ie2 h THR 200 CO -0.00 0.17 -0.70 0.58 0.37 0.00 0.00 175.52 175.94 3ie2 h VAL 201 N 0.50 1.43 0.24 3.16 2.07 -0.83 -2.95 116.25 119.86 3ie2 h VAL 201 Ca 0.12 -2.22 -0.01 0.00 0.82 0.00 0.00 66.70 65.41 3ie2 h VAL 201 Cb 0.12 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 3ie2 h VAL 201 CO -0.01 0.65 -0.11 0.03 0.02 0.00 0.00 177.57 178.14 3ie2 h ARG 202 N 0.14 -0.31 0.00 1.57 3.08 -1.29 0.25 114.38 117.83 3ie2 h ARG 202 Ca -0.02 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ie2 h ARG 202 Cb 1.24 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.36 3ie2 h ARG 202 CO 0.11 -0.04 0.00 -1.91 -1.07 0.00 0.00 179.97 177.05 3ie2 n GLU 203 N -5.13 0.14 -0.13 0.04 2.13 -0.49 -0.12 120.64 117.08 3ie2 n GLU 203 Ca -0.09 0.16 -0.26 0.00 0.66 0.00 0.00 57.16 57.63 3ie2 n GLU 203 Cb 0.22 -1.50 -0.11 0.00 0.27 0.00 0.00 31.44 30.32 3ie2 n GLU 203 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3ie2 n PHE 204 N -1.21 0.05 0.24 4.31 -0.00 -0.69 -3.26 117.46 116.91 3ie2 n PHE 204 Ca 0.04 0.02 0.10 0.00 -0.00 0.00 0.00 57.45 57.61 3ie2 n PHE 204 Cb 0.05 -1.01 0.58 0.00 -0.00 0.00 0.00 39.48 39.11 3ie2 n PHE 204 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 3ie2 h LEU 205 N -0.69 0.00 -0.14 -2.13 3.38 0.03 -2.41 115.31 113.35 3ie2 h LEU 205 Ca -0.66 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.21 3ie2 h LEU 205 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 3ie2 h LEU 205 CO -0.32 0.19 -0.32 -0.08 0.09 0.00 0.00 178.44 178.01 3ie2 h GLU 206 N 0.00 0.46 -0.67 1.13 4.81 -0.69 -2.46 114.58 117.16 3ie2 h GLU 206 Ca -0.00 -0.31 -0.05 0.00 -0.13 0.00 0.00 59.36 58.86 3ie2 h GLU 206 Cb 0.54 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 3ie2 h GLU 206 CO 0.03 0.92 0.21 0.82 -0.73 0.00 0.00 179.01 180.26 3ie2 h ILE 207 N 0.07 1.25 -0.10 2.32 2.04 -1.46 -2.49 117.51 119.14 3ie2 h ILE 207 Ca -0.00 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 64.91 3ie2 h ILE 207 Cb 0.93 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3ie2 h ILE 207 CO 0.07 0.34 -0.27 -0.07 0.00 0.00 0.00 178.15 178.22 3ie2 h LEU 208 N 0.98 0.18 0.18 1.44 3.38 -1.48 -0.53 115.31 119.45 3ie2 h LEU 208 Ca 0.22 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3ie2 h LEU 208 Cb 0.30 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3ie2 h LEU 208 CO -0.01 0.45 -0.09 -0.08 0.09 0.00 0.00 178.44 178.81 3ie2 h GLU 209 N 0.16 -0.23 0.77 1.13 4.57 -1.07 -0.77 114.58 119.14 3ie2 h GLU 209 Ca 0.03 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.18 3ie2 h GLU 209 Cb 0.57 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.21 3ie2 h GLU 209 CO 0.04 0.05 -0.37 -0.22 -1.18 0.00 0.00 179.01 177.32 3ie2 h LYS 210 N -0.50 -1.00 0.55 1.92 1.63 -1.29 -2.45 116.57 115.43 3ie2 h LYS 210 Ca -0.02 0.07 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 3ie2 h LYS 210 Cb 0.38 0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 32.22 3ie2 h LYS 210 CO 0.04 -0.67 -0.47 0.00 -3.45 0.00 0.00 179.45 174.90 3ie2 h THR 211 N -1.04 0.06 -0.01 1.00 1.03 -1.18 -2.69 112.91 110.09 3ie2 h THR 211 Ca -0.11 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.29 3ie2 h THR 211 Cb 0.80 0.06 -0.00 0.00 -1.07 0.00 0.00 68.15 67.94 3ie2 h THR 211 CO 0.17 0.00 -0.04 -0.07 -0.01 0.00 0.00 175.52 175.57 3ie2 h LEU 212 N -1.01 0.02 -0.00 0.00 3.38 -1.23 0.45 115.31 116.92 3ie2 h LEU 212 Ca -0.07 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3ie2 h LEU 212 Cb 0.86 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3ie2 h LEU 212 CO -0.02 0.06 -0.00 0.28 0.09 0.00 0.00 178.44 178.85 3ie2 h SER 213 N 0.02 0.00 0.00 -0.43 0.02 -1.36 -2.89 113.55 108.92 3ie2 h SER 213 Ca 0.00 -0.58 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 3ie2 h SER 213 Cb 0.08 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3ie2 h SER 213 CO 0.01 0.58 0.00 0.00 -1.14 0.00 0.00 176.83 176.28 3ie2 n GLN 214 N -4.81 0.55 -1.02 3.45 10.64 -1.02 -4.76 117.38 120.40 3ie2 n GLN 214 Ca -0.09 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.08 3ie2 n GLN 214 Cb 0.29 -1.11 -0.00 0.00 -0.86 0.00 0.00 30.24 28.56 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 0.12 0.47 3.86 2.61 0.00 -1.09 -5.00 105.19 106.16 3ie2 n GLY 215 Ca 0.00 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.21 1.95 0.11 -0.02 0.00 0.16 -2.58 107.32 104.73 3ie2 s GLY 216 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 44.72 44.50 3ie2 s GLY 216 CO 0.00 0.22 0.62 0.54 0.00 0.00 0.00 173.10 174.48 3ie2 s LYS 217 N -4.13 4.26 -0.37 2.90 1.02 -1.26 -3.49 119.74 118.67 3ie2 s LYS 217 Ca 0.55 0.81 -0.06 0.00 0.02 0.00 0.00 55.97 57.29 3ie2 s LYS 217 Cb -0.10 -3.18 0.06 0.00 -0.52 0.00 0.00 37.83 34.09 3ie2 s LYS 217 CO 0.34 0.59 0.15 0.08 -0.92 0.00 0.00 175.35 175.59 3ie2 s VAL 218 N -1.19 3.73 -0.58 3.17 1.01 0.15 -1.12 120.40 125.57 3ie2 s VAL 218 Ca 0.32 -1.40 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 3ie2 s VAL 218 Cb -0.19 -3.24 0.14 0.00 0.00 0.00 0.00 36.38 33.09 3ie2 s VAL 218 CO 0.21 -0.35 0.54 -0.76 0.00 0.00 0.00 175.10 174.73 3ie2 s LEU 219 N 1.35 6.27 -0.65 3.92 1.02 -1.05 0.16 118.68 129.69 3ie2 s LEU 219 Ca 0.01 -1.93 -0.16 0.00 0.02 0.00 0.00 54.13 52.07 3ie2 s LEU 219 Cb -0.21 -2.21 0.15 0.00 0.02 0.00 0.00 46.19 43.95 3ie2 s LEU 219 CO 0.01 -0.81 0.63 -0.63 0.02 0.00 0.00 176.35 175.56 3ie2 s ILE 220 N 1.38 5.27 0.01 -0.59 1.01 0.22 -2.87 121.20 125.63 3ie2 s ILE 220 Ca 0.05 -1.73 -0.30 0.00 0.00 0.00 0.00 60.65 58.67 3ie2 s ILE 220 Cb -0.27 -4.41 -0.06 0.00 0.01 0.00 0.00 42.46 37.73 3ie2 s ILE 220 CO 0.01 -0.97 1.45 -2.16 0.00 0.00 0.00 174.94 173.27 3ie2 s PRO 221 N 1.34 4.27 0.23 2.79 0.04 -1.25 -2.93 135.00 139.48 3ie2 s PRO 221 Ca 0.10 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.17 3ie2 s PRO 221 Cb -0.22 -3.58 -0.05 0.00 0.04 0.00 0.00 34.50 30.69 3ie2 s PRO 221 CO -0.01 -0.60 0.09 0.95 0.04 0.00 0.00 177.00 177.48 3ie2 s THR 222 N 2.43 0.41 0.06 1.26 -4.23 -0.82 -4.27 115.64 110.49 3ie2 s THR 222 Ca 0.66 -1.99 -0.10 0.00 -1.18 0.00 0.00 61.69 59.07 3ie2 s THR 222 Cb -0.33 -2.53 -0.06 0.00 1.34 0.00 0.00 72.50 70.92 3ie2 s THR 222 CO 0.27 -0.06 0.39 -0.36 -0.54 0.00 0.00 174.62 174.32 3ie2 s PHE 223 N -3.86 3.59 0.04 3.99 0.40 -1.26 -3.13 117.98 117.75 3ie2 s PHE 223 Ca 0.36 0.78 0.28 0.00 -0.60 0.00 0.00 56.93 57.76 3ie2 s PHE 223 Cb 0.07 -2.15 1.04 0.00 0.51 0.00 0.00 43.02 42.50 3ie2 s PHE 223 CO 0.12 0.54 1.87 0.00 0.70 0.00 0.00 175.22 178.44 3ie2 h ALA 224 N 3.82 1.00 0.27 5.36 0.00 -1.95 -2.31 119.26 125.45 3ie2 h ALA 224 Ca -0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 3ie2 h ALA 224 Cb 1.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ie2 h ALA 224 CO 0.66 0.12 -0.19 0.28 0.00 0.00 0.00 179.25 180.12 3ie2 h VAL 225 N 0.00 0.00 0.00 0.00 2.07 -1.93 -3.39 116.25 113.01 3ie2 h VAL 225 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3ie2 h VAL 225 Cb 0.68 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3ie2 h VAL 225 CO 0.01 0.00 0.00 1.21 0.02 0.00 0.00 177.57 178.81 3ie2 n GLU 226 N -3.45 0.00 -0.00 1.57 0.00 -1.25 -4.90 120.64 112.60 3ie2 n GLU 226 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.01 3ie2 n GLU 226 Cb 0.19 -0.40 -0.04 0.00 0.00 0.00 0.00 31.44 31.19 3ie2 n GLU 226 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3ie2 h ARG 227 N 0.00 -0.07 -0.24 5.31 9.65 -1.88 -2.55 114.38 124.59 3ie2 h ARG 227 Ca 0.00 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.92 3ie2 h ARG 227 Cb 0.00 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 28.54 3ie2 h ARG 227 CO 0.00 -0.05 -0.38 0.00 2.80 0.00 0.00 179.97 182.34 3ie2 h ALA 228 N 1.03 -0.65 0.00 2.80 0.00 -1.72 0.12 119.26 120.83 3ie2 h ALA 228 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ie2 h ALA 228 Cb 0.18 0.97 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3ie2 h ALA 228 CO -0.17 -0.83 0.00 0.00 0.00 0.00 0.00 179.25 178.25 3ie2 n GLN 229 N -4.52 0.07 0.05 0.00 0.00 -1.20 -1.84 117.38 109.94 3ie2 n GLN 229 Ca -0.03 0.26 -0.22 0.00 0.00 0.00 0.00 57.00 57.02 3ie2 n GLN 229 Cb 0.24 -1.50 -0.15 0.00 0.00 0.00 0.00 30.24 28.83 3ie2 n GLN 229 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 3ie2 h GLU 230 N 0.00 0.33 -0.46 2.61 4.81 -0.39 -2.84 114.58 118.65 3ie2 h GLU 230 Ca 0.00 -0.56 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 3ie2 h GLU 230 Cb 0.13 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3ie2 h GLU 230 CO 0.00 1.27 0.24 0.82 -0.73 0.00 0.00 179.01 180.61 3ie2 h ILE 231 N -0.23 1.17 -0.50 2.32 1.08 -0.45 0.32 117.51 121.23 3ie2 h ILE 231 Ca -0.23 -0.45 0.08 0.00 -0.39 0.00 0.00 64.86 63.87 3ie2 h ILE 231 Cb 1.80 0.63 -0.03 0.00 -3.07 0.00 0.00 36.82 36.16 3ie2 h ILE 231 CO 0.14 0.18 0.33 -0.07 -0.69 0.00 0.00 178.15 178.05 3ie2 h LEU 232 N 0.60 0.31 0.64 1.44 3.38 -1.51 -0.46 115.31 119.71 3ie2 h LEU 232 Ca 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 3ie2 h LEU 232 Cb 0.07 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ie2 h LEU 232 CO -0.02 0.20 -0.31 0.22 0.09 0.00 0.00 178.44 178.62 3ie2 h TYR 233 N 0.36 -0.80 -0.92 1.13 3.20 -0.72 -2.58 116.97 116.63 3ie2 h TYR 233 Ca 0.22 -0.02 0.31 0.00 3.14 0.00 0.00 58.73 62.38 3ie2 h TYR 233 Cb 0.42 0.27 -0.17 0.00 1.54 0.00 0.00 36.73 38.79 3ie2 h TYR 233 CO -0.00 -0.50 0.21 0.28 -1.64 0.00 0.00 178.16 176.51 3ie2 n VAL 234 N -5.33 -0.39 0.05 1.81 0.31 0.94 -0.80 118.33 114.93 3ie2 n VAL 234 Ca -0.11 1.96 -0.12 0.00 -0.01 0.00 0.00 64.34 66.06 3ie2 n VAL 234 Cb 0.34 -2.99 -0.09 0.00 -0.91 0.00 0.00 33.84 30.20 3ie2 n VAL 234 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3ie2 h LEU 235 N 0.00 -0.16 -1.70 7.52 3.38 -1.13 -3.13 115.31 120.09 3ie2 h LEU 235 Ca 0.65 -0.37 0.42 0.00 0.09 0.00 0.00 57.88 58.67 3ie2 h LEU 235 Cb 1.52 0.04 -0.09 0.00 0.09 0.00 0.00 40.66 42.22 3ie2 h LEU 235 CO -0.80 0.33 0.97 0.22 0.09 0.00 0.00 178.44 179.25 3ie2 h TYR 236 N -0.71 0.27 -0.63 1.13 3.20 -0.54 1.55 116.97 121.24 3ie2 h TYR 236 Ca -0.02 0.01 -0.22 0.00 3.14 0.00 0.00 58.73 61.64 3ie2 h TYR 236 Cb 0.52 -0.07 -0.13 0.00 1.54 0.00 0.00 36.73 38.58 3ie2 h TYR 236 CO 0.08 -0.06 0.22 0.25 -1.64 0.00 0.00 178.16 177.01 3ie2 n THR 237 N -4.36 2.81 -1.97 1.81 -2.24 -1.05 -4.32 114.28 104.95 3ie2 n THR 237 Ca 0.34 -1.95 -0.01 0.00 -2.27 0.00 0.00 64.05 60.16 3ie2 n THR 237 Cb 1.44 -0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 69.31 3ie2 n THR 237 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ie2 n HIS 238 N -0.57 0.00 0.07 4.78 8.25 0.50 -4.95 115.22 123.30 3ie2 n HIS 238 Ca 0.39 -0.08 -0.01 0.00 -0.26 0.00 0.00 57.72 57.76 3ie2 n HIS 238 Cb 1.29 0.29 -0.06 0.00 1.12 0.00 0.00 29.99 32.63 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 0.00 0.85 -1.41 0.00 -0.77 -3.32 103.07 98.42 3ie2 h GLY 239 Ca -0.10 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.30 3ie2 h GLY 239 CO -0.05 0.00 0.51 1.12 0.00 0.00 0.00 176.54 178.12 3ie2 h HIS 240 N 0.00 0.00 0.00 5.60 2.07 -1.89 -0.96 115.15 119.97 3ie2 h HIS 240 Ca -0.09 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.43 3ie2 h HIS 240 Cb 1.59 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.57 3ie2 h HIS 240 CO 0.00 0.00 -0.65 2.89 -3.07 0.00 0.00 177.93 177.10 3ie2 n ARG 241 N -3.19 3.25 -3.19 5.12 1.85 -1.25 -5.01 116.66 114.23 3ie2 n ARG 241 Ca 0.04 -0.02 -0.39 0.00 -1.00 0.00 0.00 57.85 56.48 3ie2 n ARG 241 Cb 0.62 -0.96 -0.06 0.00 -1.05 0.00 0.00 32.46 31.01 3ie2 n ARG 241 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3ie2 s LEU 242 N -2.70 4.54 -0.29 2.89 1.43 -0.37 -4.99 118.68 119.19 3ie2 s LEU 242 Ca 0.01 1.36 -0.28 0.00 -1.03 0.00 0.00 54.13 54.19 3ie2 s LEU 242 Cb 0.06 -3.00 -0.04 0.00 0.03 0.00 0.00 46.19 43.23 3ie2 s LEU 242 CO 0.33 0.25 2.14 -2.16 0.23 0.00 0.00 176.35 177.14 3ie2 s PRO 243 N -1.07 3.01 -0.75 1.29 0.04 -1.26 -4.79 135.00 131.47 3ie2 s PRO 243 Ca 0.31 1.76 -0.26 0.00 0.04 0.00 0.00 61.00 62.85 3ie2 s PRO 243 Cb -0.20 -4.36 -0.17 0.00 0.04 0.00 0.00 34.50 29.80 3ie2 s PRO 243 CO 0.21 -2.24 2.10 2.89 0.04 0.00 0.00 177.00 180.00 3ie2 n ARG 244 N 8.74 0.00 -4.44 4.56 1.85 -1.26 -4.90 116.66 121.21 3ie2 n ARG 244 Ca 0.29 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.92 3ie2 n ARG 244 Cb 0.47 -1.19 -0.10 0.00 -1.05 0.00 0.00 32.46 30.58 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 6.90 2.37 -0.51 2.89 0.00 -1.26 -5.07 121.76 127.07 3ie2 s ALA 245 Ca 1.07 -1.95 -0.24 0.00 0.00 0.00 0.00 51.96 50.84 3ie2 s ALA 245 Cb -1.02 0.29 0.04 0.00 0.00 0.00 0.00 23.12 22.42 3ie2 s ALA 245 CO 0.40 -0.13 0.90 -1.25 0.00 0.00 0.00 175.76 175.69 3ie2 s PRO 246 N -3.76 3.39 -0.32 0.00 0.04 -1.26 -4.77 135.00 128.31 3ie2 s PRO 246 Ca 0.31 -0.15 -0.29 0.00 0.04 0.00 0.00 61.00 60.91 3ie2 s PRO 246 Cb 0.05 -4.00 0.01 0.00 0.04 0.00 0.00 34.50 30.60 3ie2 s PRO 246 CO 0.13 -1.35 1.22 0.42 0.04 0.00 0.00 177.00 177.46 3ie2 s ILE 247 N 3.76 4.25 -0.13 0.56 1.01 -1.24 -2.70 121.20 126.71 3ie2 s ILE 247 Ca 0.32 1.41 -0.02 0.00 0.00 0.00 0.00 60.65 62.36 3ie2 s ILE 247 Cb -0.12 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 3ie2 s ILE 247 CO 0.21 -0.53 -0.08 -0.31 0.00 0.00 0.00 174.94 174.24 3ie2 s TYR 248 N 4.19 2.93 -0.65 3.97 1.51 0.17 -0.26 117.35 129.22 3ie2 s TYR 248 Ca 0.52 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 56.17 3ie2 s TYR 248 Cb -0.14 -1.88 0.17 0.00 -0.11 0.00 0.00 41.96 40.00 3ie2 s TYR 248 CO 0.22 -0.05 0.48 -1.17 -1.11 0.00 0.00 175.55 173.92 3ie2 s LEU 249 N 0.18 5.39 -1.25 -1.29 2.96 -0.41 -0.03 118.68 124.23 3ie2 s LEU 249 Ca -0.04 -2.85 -0.15 0.00 -0.22 0.00 0.00 54.13 50.87 3ie2 s LEU 249 Cb -0.14 -1.89 0.14 0.00 0.50 0.00 0.00 46.19 44.79 3ie2 s LEU 249 CO 0.04 -0.39 1.58 -0.67 -1.32 0.00 0.00 176.35 175.59 3ie2 n ASP 250 N 3.52 5.09 -3.28 3.68 -0.08 0.19 -1.68 116.55 123.98 3ie2 n ASP 250 Ca 0.09 -2.96 0.03 0.00 -1.51 0.00 0.00 54.79 50.43 3ie2 n ASP 250 Cb 0.39 -1.63 -0.03 0.00 2.34 0.00 0.00 41.12 42.19 3ie2 n ASP 250 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3ie2 s SER 251 N 3.17 -0.66 0.48 1.67 0.15 -1.25 -4.17 113.70 113.10 3ie2 s SER 251 Ca 0.46 0.64 0.15 0.00 0.70 0.00 0.00 55.95 57.91 3ie2 s SER 251 Cb 0.01 1.65 1.16 0.00 -1.71 0.00 0.00 66.02 67.12 3ie2 s SER 251 CO 0.02 -0.12 2.08 -0.65 1.20 0.00 0.00 173.24 175.77 3ie2 h PRO 252 N 7.75 0.19 0.00 5.44 0.11 -1.89 -1.14 132.00 142.47 3ie2 h PRO 252 Ca -0.16 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.92 3ie2 h PRO 252 Cb 1.14 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ie2 h PRO 252 CO 0.04 0.12 -0.11 1.98 -0.21 0.00 0.00 178.00 179.83 3ie2 h MET 253 N 0.19 0.00 -0.27 1.05 4.05 -1.95 -2.84 114.93 115.16 3ie2 h MET 253 Ca 0.12 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.62 3ie2 h MET 253 Cb 0.24 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 3ie2 h MET 253 CO -0.02 0.72 0.36 0.00 0.23 0.00 0.00 176.91 178.20 3ie2 h ALA 254 N -0.32 1.88 -0.02 0.39 0.00 -1.72 -0.21 119.26 119.25 3ie2 h ALA 254 Ca -0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3ie2 h ALA 254 Cb 0.76 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.57 3ie2 h ALA 254 CO -0.02 -0.51 -0.38 0.78 0.00 0.00 0.00 179.25 179.13 3ie2 h GLY 255 N 0.00 0.33 1.13 0.00 0.00 -1.24 -3.09 103.07 100.20 3ie2 h GLY 255 Ca 0.13 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 3ie2 h GLY 255 CO -0.00 0.47 0.34 3.21 0.00 0.00 0.00 176.54 180.56 3ie2 h ARG 256 N -0.27 1.12 -0.35 4.80 3.08 -0.80 -2.01 114.38 119.94 3ie2 h ARG 256 Ca -0.04 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 3ie2 h ARG 256 Cb 1.09 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 3ie2 h ARG 256 CO 0.08 0.88 0.08 0.28 -1.07 0.00 0.00 179.97 180.21 3ie2 h VAL 257 N 1.10 1.17 -0.33 2.04 2.07 -1.50 -1.44 116.25 119.37 3ie2 h VAL 257 Ca 0.26 -0.60 -0.13 0.00 0.82 0.00 0.00 66.70 67.05 3ie2 h VAL 257 Cb 0.15 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3ie2 h VAL 257 CO -0.03 0.22 -0.32 0.25 0.02 0.00 0.00 177.57 177.71 3ie2 h LEU 258 N 0.51 0.73 -1.67 2.57 5.85 -1.30 0.86 115.31 122.86 3ie2 h LEU 258 Ca 0.12 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3ie2 h LEU 258 Cb 0.21 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3ie2 h LEU 258 CO -0.00 1.00 -0.15 0.28 -0.34 0.00 0.00 178.44 179.22 3ie2 h SER 259 N 0.60 0.02 0.16 1.25 0.02 -0.66 -3.06 113.55 111.88 3ie2 h SER 259 Ca 0.07 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.76 3ie2 h SER 259 Cb 0.83 -0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.39 3ie2 h SER 259 CO 0.07 0.17 -1.21 0.25 -1.14 0.00 0.00 176.83 174.97 3ie2 h LEU 260 N 0.02 0.54 -0.65 5.07 5.85 -0.49 -3.39 115.31 122.27 3ie2 h LEU 260 Ca 0.00 -0.92 0.26 0.00 0.84 0.00 0.00 57.88 58.06 3ie2 h LEU 260 Cb 0.28 -0.18 -0.12 0.00 0.37 0.00 0.00 40.66 41.01 3ie2 h LEU 260 CO 0.02 1.56 0.30 -1.22 -0.34 0.00 0.00 178.44 178.76 3ie2 n TYR 261 N -3.93 0.70 0.20 1.25 0.53 0.22 0.23 117.16 116.36 3ie2 n TYR 261 Ca -0.19 0.77 0.04 0.00 -1.02 0.00 0.00 57.90 57.51 3ie2 n TYR 261 Cb 0.93 -1.17 0.43 0.00 -1.03 0.00 0.00 39.34 38.50 3ie2 n TYR 261 CO 0.00 0.00 0.00 -1.35 -1.02 0.00 0.00 176.86 174.49 3ie2 h PRO 262 N 0.00 0.00 0.00 -0.72 0.11 -1.75 -1.65 132.00 127.99 3ie2 h PRO 262 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 3ie2 h PRO 262 Cb 1.35 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3ie2 h PRO 262 CO -0.52 0.30 0.00 0.54 -0.21 0.00 0.00 178.00 178.12 3ie2 n ARG 263 N -4.07 0.67 -0.64 1.05 1.74 0.13 -2.74 116.66 112.80 3ie2 n ARG 263 Ca -0.02 0.02 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 3ie2 n ARG 263 Cb 0.36 -1.50 0.20 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 -1.10 3.14 -0.02 0.55 4.32 -0.62 -4.86 117.00 118.40 3ie2 n LEU 264 Ca 0.17 -3.83 -0.09 0.00 -0.02 0.00 0.00 56.01 52.25 3ie2 n LEU 264 Cb 0.13 -0.56 -0.02 0.00 -1.62 0.00 0.00 43.42 41.35 3ie2 n LEU 264 CO 0.17 1.33 0.71 1.62 -1.22 0.00 0.00 177.39 179.99 3ie2 h VAL 265 N 0.97 0.43 0.00 4.08 3.04 -1.53 -2.33 116.25 120.91 3ie2 h VAL 265 Ca 0.07 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.76 3ie2 h VAL 265 Cb 1.21 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 3ie2 h VAL 265 CO 0.12 0.00 0.00 0.08 -1.01 0.00 0.00 177.57 176.76 3ie2 h ARG 266 N -0.26 0.00 0.00 4.17 0.11 -1.90 -2.26 114.38 114.24 3ie2 h ARG 266 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 3ie2 h ARG 266 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 3ie2 h ARG 266 CO -0.33 0.00 -0.07 0.66 0.10 0.00 0.00 179.97 180.33 3ie2 n TYR 267 N -2.37 0.88 -2.34 4.08 4.01 -0.88 -4.87 117.16 115.67 3ie2 n TYR 267 Ca -0.01 0.26 -0.18 0.00 -0.16 0.00 0.00 57.90 57.81 3ie2 n TYR 267 Cb 0.10 -0.90 0.10 0.00 -0.31 0.00 0.00 39.34 38.32 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 -2.23 -3.25 -1.67 -0.72 3.72 -0.85 -4.55 117.46 107.90 3ie2 n PHE 268 Ca 0.05 -1.20 -0.30 0.00 -0.05 0.00 0.00 57.45 55.96 3ie2 n PHE 268 Cb 0.43 -0.57 0.09 0.00 -0.94 0.00 0.00 39.48 38.49 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 -4.08 4.45 0.10 4.37 1.04 0.04 -4.53 113.70 115.10 3ie2 s SER 269 Ca 0.50 1.10 -0.26 0.00 0.48 0.00 0.00 55.95 57.76 3ie2 s SER 269 Cb -0.02 -1.77 -0.10 0.00 0.10 0.00 0.00 66.02 64.23 3ie2 s SER 269 CO 0.33 -1.97 1.66 -0.33 0.98 0.00 0.00 173.24 173.91 3ie2 h GLU 270 N -1.09 -0.40 -0.75 4.02 4.39 -1.91 -0.10 114.58 118.75 3ie2 h GLU 270 Ca -0.47 0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.38 3ie2 h GLU 270 Cb 1.29 0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 29.90 3ie2 h GLU 270 CO 0.62 -0.27 -0.35 1.49 -1.16 0.00 0.00 179.01 179.34 3ie2 h GLU 271 N -0.42 -0.10 -0.75 2.33 4.81 -1.94 0.16 114.58 118.68 3ie2 h GLU 271 Ca 0.02 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3ie2 h GLU 271 Cb 0.42 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 3ie2 h GLU 271 CO -0.09 -0.06 0.24 0.28 -0.73 0.00 0.00 179.01 178.64 3ie2 h VAL 272 N -0.10 1.26 -0.67 0.32 2.07 -1.73 -2.91 116.25 114.50 3ie2 h VAL 272 Ca 0.28 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.83 3ie2 h VAL 272 Cb 0.57 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 3ie2 h VAL 272 CO -0.80 0.36 0.16 1.56 0.02 0.00 0.00 177.57 178.87 3ie2 h GLN 273 N 1.12 1.06 -0.75 1.57 4.20 0.92 -2.82 115.11 120.40 3ie2 h GLN 273 Ca 0.24 -0.25 0.16 0.00 0.06 0.00 0.00 58.65 58.87 3ie2 h GLN 273 Cb 0.30 -0.14 -0.11 0.00 0.30 0.00 0.00 27.48 27.83 3ie2 h GLN 273 CO -0.01 0.94 0.21 0.00 -0.67 0.00 0.00 178.83 179.30 3ie2 h ALA 274 N 1.16 1.01 0.19 3.87 0.00 -0.58 -1.29 119.26 123.62 3ie2 h ALA 274 Ca 0.21 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3ie2 h ALA 274 Cb 0.36 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3ie2 h ALA 274 CO 0.00 -0.32 -0.13 0.45 0.00 0.00 0.00 179.25 179.24 3ie2 h HIS 275 N 0.30 -0.35 -0.30 0.00 3.86 -1.51 -0.70 115.15 116.45 3ie2 h HIS 275 Ca 0.43 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.72 3ie2 h HIS 275 Cb 0.73 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.32 3ie2 h HIS 275 CO -0.24 -0.21 0.33 0.74 0.86 0.00 0.00 177.93 179.41 3ie2 h PHE 276 N -0.32 0.00 -0.05 2.45 0.04 -1.26 0.31 116.94 118.10 3ie2 h PHE 276 Ca -0.01 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.53 3ie2 h PHE 276 Cb 0.28 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.44 3ie2 h PHE 276 CO -0.10 0.00 -0.87 1.25 -0.60 0.00 0.00 178.31 177.99 3ie2 h LEU 277 N 0.00 0.69 -0.35 1.54 5.85 -0.15 -2.78 115.31 120.11 3ie2 h LEU 277 Ca 0.14 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3ie2 h LEU 277 Cb 0.80 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3ie2 h LEU 277 CO -0.00 1.29 0.00 0.00 -0.34 0.00 0.00 178.44 179.39 3ie2 n GLN 278 N -3.83 0.09 -0.22 1.25 1.13 0.10 -4.84 117.38 111.06 3ie2 n GLN 278 Ca -0.07 0.35 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 3ie2 n GLN 278 Cb 0.79 -1.67 0.00 0.00 0.11 0.00 0.00 30.24 29.47 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 -0.14 0.88 3.72 1.08 0.00 -0.88 -5.09 105.19 104.75 3ie2 n GLY 279 Ca 0.03 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 3ie2 n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie2 s LYS 280 N -0.62 2.23 -0.45 1.61 1.02 -0.95 -5.00 119.74 117.57 3ie2 s LYS 280 Ca 0.00 -1.78 0.03 0.00 0.02 0.00 0.00 55.97 54.24 3ie2 s LYS 280 Cb 0.00 -2.01 0.13 0.00 -0.52 0.00 0.00 37.83 35.43 3ie2 s LYS 280 CO 0.00 -0.04 0.22 1.21 -0.92 0.00 0.00 175.35 175.82 3ie2 s ASN 281 N -3.87 4.11 0.00 2.83 3.84 -1.26 -3.25 114.94 117.34 3ie2 s ASN 281 Ca 0.40 -2.68 0.00 0.00 0.21 0.00 0.00 52.86 50.79 3ie2 s ASN 281 Cb 0.02 -1.37 0.00 0.00 -0.55 0.00 0.00 41.25 39.35 3ie2 s ASN 281 CO 0.22 -0.27 0.77 -0.81 -2.79 0.00 0.00 177.10 174.22 3ie2 n PRO 282 N 3.52 0.00 -0.44 0.43 -0.04 -1.26 -1.33 135.00 135.88 3ie2 n PRO 282 Ca 0.06 0.30 0.09 0.00 -0.04 0.00 0.00 63.50 63.91 3ie2 n PRO 282 Cb 0.35 -1.58 0.30 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.27 1.10 -3.36 0.54 3.72 -1.26 -3.98 117.46 112.94 3ie2 n PHE 283 Ca 0.00 -0.48 -0.26 0.00 -0.05 0.00 0.00 57.45 56.66 3ie2 n PHE 283 Cb 0.08 -0.11 -0.09 0.00 -0.94 0.00 0.00 39.48 38.42 3ie2 n PHE 283 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ie2 n ARG 284 N 1.19 0.90 -0.90 -1.08 1.74 -0.44 -4.72 116.66 113.36 3ie2 n ARG 284 Ca 0.22 -3.54 -0.29 0.00 -0.77 0.00 0.00 57.85 53.48 3ie2 n ARG 284 Cb 0.67 -1.62 0.21 0.00 -1.02 0.00 0.00 32.46 30.70 3ie2 n ARG 284 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ie2 s PRO 285 N -0.98 -0.14 0.45 5.56 0.04 -1.26 -4.95 135.00 133.73 3ie2 s PRO 285 Ca 0.34 0.67 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 3ie2 s PRO 285 Cb 0.10 -1.66 -0.07 0.00 0.04 0.00 0.00 34.50 32.91 3ie2 s PRO 285 CO -0.13 -3.15 1.21 0.00 0.04 0.00 0.00 177.00 174.96 3ie2 s ALA 286 N -2.75 3.02 0.00 8.56 0.00 -1.26 -2.95 121.76 126.38 3ie2 s ALA 286 Ca 0.67 1.03 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3ie2 s ALA 286 Cb -0.21 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3ie2 s ALA 286 CO 0.61 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 176.02 3ie2 n GLY 287 N 0.54 2.76 3.54 0.00 0.00 -1.26 -4.60 105.19 106.16 3ie2 n GLY 287 Ca 0.07 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.60 3ie2 n GLY 287 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ie2 n LEU 288 N 0.00 0.87 -3.69 0.99 7.94 -1.15 -3.68 117.00 118.28 3ie2 n LEU 288 Ca 0.00 1.15 -0.10 0.00 -1.11 0.00 0.00 56.01 55.95 3ie2 n LEU 288 Cb 0.00 -1.15 -0.10 0.00 0.53 0.00 0.00 43.42 42.69 3ie2 n LEU 288 CO 0.00 -1.74 0.08 -0.70 -1.11 0.00 0.00 177.39 173.91 3ie2 s GLU 289 N -0.80 0.42 -0.23 1.96 2.56 0.65 -4.93 118.70 118.32 3ie2 s GLU 289 Ca 0.69 0.86 -0.19 0.00 0.00 0.00 0.00 54.97 56.33 3ie2 s GLU 289 Cb -0.86 0.03 -0.03 0.00 2.00 0.00 0.00 34.13 35.27 3ie2 s GLU 289 CO 0.56 -0.17 0.54 0.08 -0.56 0.00 0.00 175.26 175.71 3ie2 s VAL 290 N 1.56 5.06 -0.27 3.70 1.01 -1.26 -1.28 120.40 128.92 3ie2 s VAL 290 Ca -0.09 0.97 -0.25 0.00 0.00 0.00 0.00 61.98 62.61 3ie2 s VAL 290 Cb -0.08 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.44 3ie2 s VAL 290 CO -0.14 0.11 0.86 -0.69 0.00 0.00 0.00 175.10 175.24 3ie2 s VAL 291 N 2.09 4.77 -0.11 2.92 1.01 -0.68 -4.94 120.40 125.46 3ie2 s VAL 291 Ca 0.24 1.50 0.19 0.00 0.00 0.00 0.00 61.98 63.91 3ie2 s VAL 291 Cb -0.16 -4.18 -0.28 0.00 0.00 0.00 0.00 36.38 31.77 3ie2 s VAL 291 CO 0.09 -0.19 0.26 -0.62 0.00 0.00 0.00 175.10 174.64 3ie2 n GLU 292 N 6.20 0.73 -4.76 2.72 -0.58 -1.26 -3.76 120.64 119.92 3ie2 n GLU 292 Ca 0.06 -0.10 -0.32 0.00 -0.42 0.00 0.00 57.16 56.38 3ie2 n GLU 292 Cb 0.48 -1.50 -0.13 0.00 -0.57 0.00 0.00 31.44 29.72 3ie2 n GLU 292 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3ie2 s HIS 293 N -2.95 2.70 0.67 -0.32 3.76 -1.26 -4.88 115.29 113.00 3ie2 s HIS 293 Ca -0.09 -0.16 0.41 0.00 -0.15 0.00 0.00 55.06 55.08 3ie2 s HIS 293 Cb 0.10 -1.59 2.25 0.00 1.11 0.00 0.00 32.58 34.45 3ie2 s HIS 293 CO 0.84 0.23 2.28 1.15 -0.85 0.00 0.00 174.74 178.39 3ie2 h THR 294 N 4.15 0.03 -0.10 1.30 2.02 -1.98 -1.47 112.91 116.85 3ie2 h THR 294 Ca -0.47 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.58 3ie2 h THR 294 Cb 1.16 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 3ie2 h THR 294 CO 0.50 0.00 -0.52 -0.33 0.37 0.00 0.00 175.52 175.55 3ie2 h GLU 295 N 0.00 0.28 0.00 6.66 3.07 -1.99 -1.67 114.58 120.94 3ie2 h GLU 295 Ca 0.00 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 3ie2 h GLU 295 Cb 0.14 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.06 3ie2 h GLU 295 CO -0.00 0.73 -0.56 0.00 -1.40 0.00 0.00 179.01 177.79 3ie2 h ALA 296 N 1.24 0.68 -0.26 3.43 0.00 -1.70 -2.75 119.26 119.89 3ie2 h ALA 296 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3ie2 h ALA 296 Cb 0.99 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3ie2 h ALA 296 CO 0.08 0.00 -0.52 1.03 0.00 0.00 0.00 179.25 179.84 3ie2 h SER 297 N 0.00 0.82 0.45 0.00 0.87 -1.03 -2.50 113.55 112.15 3ie2 h SER 297 Ca 0.00 -0.42 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 3ie2 h SER 297 Cb 0.86 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 3ie2 h SER 297 CO 0.00 1.18 -0.39 0.29 -0.53 0.00 0.00 176.83 177.38 3ie2 n LYS 298 N -3.99 0.26 -0.03 2.24 5.02 -0.67 -3.84 118.16 117.14 3ie2 n LYS 298 Ca -0.03 -0.15 -0.16 0.00 -2.02 0.00 0.00 58.31 55.95 3ie2 n LYS 298 Cb 0.60 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.99 3ie2 n LYS 298 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ie2 h ALA 299 N 3.22 -0.02 0.00 7.82 0.00 -1.29 -3.17 119.26 125.82 3ie2 h ALA 299 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3ie2 h ALA 299 Cb 0.49 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3ie2 h ALA 299 CO 0.00 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.63 3ie2 n LEU 300 N -4.48 0.00 0.09 0.00 4.77 -0.96 -1.87 117.00 114.55 3ie2 n LEU 300 Ca -0.11 0.33 -0.04 0.00 -0.03 0.00 0.00 56.01 56.16 3ie2 n LEU 300 Cb 0.56 -0.33 0.14 0.00 -2.33 0.00 0.00 43.42 41.47 3ie2 n LEU 300 CO 0.39 -0.25 0.51 0.78 -1.33 0.00 0.00 177.39 177.49 3ie2 h ASN 301 N 0.00 0.25 0.00 -1.43 2.35 -1.65 -3.23 115.58 111.86 3ie2 h ASN 301 Ca 0.00 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.62 3ie2 h ASN 301 Cb 0.08 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.38 3ie2 h ASN 301 CO 0.00 0.77 -1.45 -2.11 -1.65 0.00 0.00 177.43 172.99 3ie2 n ARG 302 N -3.89 0.82 -1.66 0.81 0.00 -0.84 -4.83 116.66 107.07 3ie2 n ARG 302 Ca -0.02 -0.10 -0.48 0.00 -0.00 0.00 0.00 57.85 57.25 3ie2 n ARG 302 Cb 0.59 -1.30 -0.05 0.00 -0.00 0.00 0.00 32.46 31.71 3ie2 n ARG 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ie2 n ALA 303 N -1.86 0.80 -1.77 2.89 0.00 -0.78 -4.91 120.51 114.87 3ie2 n ALA 303 Ca -0.02 0.44 -0.36 0.00 0.00 0.00 0.00 53.44 53.50 3ie2 n ALA 303 Cb 0.34 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.47 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 1.32 3.62 0.60 0.00 0.04 -1.26 -4.95 135.00 134.36 3ie2 s PRO 304 Ca 0.82 1.70 -0.10 0.00 0.04 0.00 0.00 61.00 63.47 3ie2 s PRO 304 Cb -0.75 -2.26 0.14 0.00 0.04 0.00 0.00 34.50 31.68 3ie2 s PRO 304 CO 0.42 -0.65 0.69 0.41 0.04 0.00 0.00 177.00 177.91 3ie2 n GLY 305 N 0.33 -1.81 3.79 0.56 0.00 -1.26 -4.84 105.19 101.97 3ie2 n GLY 305 Ca 0.09 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 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 -4.53 2.10 0.00 1.61 0.04 -1.07 -4.86 135.00 128.29 3ie2 s PRO 306 Ca 0.41 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.22 3ie2 s PRO 306 Cb -0.02 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3ie2 s PRO 306 CO 0.30 -1.64 0.00 0.00 0.04 0.00 0.00 177.00 175.70 3ie2 n MET 307 N -3.47 0.00 -3.18 4.56 0.00 -1.23 -4.42 117.12 109.39 3ie2 n MET 307 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 57.70 57.34 3ie2 n MET 307 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.71 3ie2 n MET 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3ie2 s VAL 308 N -0.57 4.91 -0.21 3.17 1.01 -1.10 0.33 120.40 127.94 3ie2 s VAL 308 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 3ie2 s VAL 308 Cb 0.00 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 3ie2 s VAL 308 CO 0.00 -0.77 0.04 -0.69 0.00 0.00 0.00 175.10 173.69 3ie2 s VAL 309 N 2.53 4.38 -0.13 2.92 1.01 0.41 0.46 120.40 131.99 3ie2 s VAL 309 Ca 0.14 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.96 3ie2 s VAL 309 Cb -0.19 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 3ie2 s VAL 309 CO 0.12 0.41 -0.15 -0.76 0.00 0.00 0.00 175.10 174.72 3ie2 s LEU 310 N 0.92 2.56 0.02 3.92 1.02 0.96 0.69 118.68 128.76 3ie2 s LEU 310 Ca 0.03 -0.40 -0.28 0.00 0.02 0.00 0.00 54.13 53.50 3ie2 s LEU 310 Cb -0.14 -1.57 0.08 0.00 0.02 0.00 0.00 46.19 44.59 3ie2 s LEU 310 CO 0.02 0.15 0.72 0.00 0.02 0.00 0.00 176.35 177.26 3ie2 s ALA 311 N 0.45 -1.74 0.47 4.21 0.00 -1.15 0.53 121.76 124.53 3ie2 s ALA 311 Ca -0.11 0.99 0.08 0.00 0.00 0.00 0.00 51.96 52.92 3ie2 s ALA 311 Cb -0.16 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.29 3ie2 s ALA 311 CO 0.05 -0.56 0.53 0.20 0.00 0.00 0.00 175.76 175.98 3ie2 s GLY 312 N -1.97 2.02 0.63 0.00 0.00 -1.25 -1.95 107.32 104.79 3ie2 s GLY 312 Ca -0.03 -1.80 -0.18 0.00 0.00 0.00 0.00 44.72 42.72 3ie2 s GLY 312 CO -0.03 -1.66 1.19 -0.45 0.00 0.00 0.00 173.10 172.16 3ie2 s SER 313 N -4.33 5.01 0.00 1.64 0.15 -0.12 -0.23 113.70 115.81 3ie2 s SER 313 Ca 0.52 2.33 0.28 0.00 0.70 0.00 0.00 55.95 59.77 3ie2 s SER 313 Cb -0.06 -2.59 1.01 0.00 -1.71 0.00 0.00 66.02 62.67 3ie2 s SER 313 CO 0.31 -1.71 1.76 0.61 1.20 0.00 0.00 173.24 175.41 3ie2 n GLY 314 N 0.34 -1.39 0.36 9.45 0.00 -1.18 -2.74 105.19 110.02 3ie2 n GLY 314 Ca 0.13 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 46.08 3ie2 n GLY 314 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ie2 n MET 315 N -1.48 0.92 -2.48 1.61 2.81 -1.26 -4.78 117.12 112.46 3ie2 n MET 315 Ca 0.07 -0.72 -0.20 0.00 -1.81 0.00 0.00 57.70 55.04 3ie2 n MET 315 Cb 0.33 -1.49 -0.00 0.00 -0.71 0.00 0.00 33.22 31.36 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 -0.41 -2.04 -0.86 4.03 4.77 -1.11 -4.66 117.00 116.71 3ie2 n LEU 316 Ca 0.09 -0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.12 3ie2 n LEU 316 Cb 0.42 -2.85 0.28 0.00 -2.33 0.00 0.00 43.42 38.94 3ie2 n LEU 316 CO 0.30 -0.14 0.73 0.00 -1.33 0.00 0.00 177.39 176.96 3ie2 n ALA 317 N -2.23 2.47 0.00 -1.18 0.00 -1.26 -4.69 120.51 113.62 3ie2 n ALA 317 Ca -0.22 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.48 3ie2 n ALA 317 Cb 0.67 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3ie2 n ALA 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie2 n GLY 318 N 1.32 -0.65 5.70 0.00 0.00 -1.26 -5.03 105.19 105.28 3ie2 n GLY 318 Ca 0.17 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.42 0.13 -0.02 0.00 -1.26 -0.94 105.19 101.68 3ie2 n GLY 319 Ca 0.00 -1.41 0.02 0.00 0.00 0.00 0.00 46.02 44.62 3ie2 n GLY 319 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ie2 h ARG 320 N 0.00 0.00 -0.94 1.61 3.08 -1.71 -3.31 114.38 113.11 3ie2 h ARG 320 Ca 0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 3ie2 h ARG 320 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 3ie2 h ARG 320 CO 0.00 0.53 0.58 0.97 -1.07 0.00 0.00 179.97 180.97 3ie2 h ILE 321 N 0.00 0.94 0.06 2.04 6.09 -0.81 -2.99 117.51 122.84 3ie2 h ILE 321 Ca -0.01 -0.32 0.01 0.00 -1.37 0.00 0.00 64.86 63.17 3ie2 h ILE 321 Cb 1.41 -0.09 -0.03 0.00 0.47 0.00 0.00 36.82 38.58 3ie2 h ILE 321 CO 0.07 0.17 -0.32 -0.07 -3.07 0.00 0.00 178.15 174.94 3ie2 h LEU 322 N 0.95 -0.96 -0.66 2.19 3.38 -1.77 -2.56 115.31 115.88 3ie2 h LEU 322 Ca 0.45 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.66 3ie2 h LEU 322 Cb 0.40 0.36 -0.12 0.00 0.09 0.00 0.00 40.66 41.39 3ie2 h LEU 322 CO -0.25 -0.33 -0.08 0.45 0.09 0.00 0.00 178.44 178.33 3ie2 h HIS 323 N -0.44 -0.19 -0.99 1.13 3.86 -1.74 0.98 115.15 117.77 3ie2 h HIS 323 Ca -0.00 0.05 0.24 0.00 -1.16 0.00 0.00 60.37 59.50 3ie2 h HIS 323 Cb 0.45 0.19 -0.12 0.00 1.06 0.00 0.00 27.41 28.98 3ie2 h HIS 323 CO -0.40 -0.24 0.58 0.45 0.86 0.00 0.00 177.93 179.18 3ie2 h HIS 324 N 0.05 0.98 -0.00 2.45 3.86 -1.33 -1.06 115.15 120.11 3ie2 h HIS 324 Ca 0.34 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.57 3ie2 h HIS 324 Cb 0.54 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.73 3ie2 h HIS 324 CO -0.45 0.07 -0.03 -0.07 0.86 0.00 0.00 177.93 178.31 3ie2 h LEU 325 N 0.58 0.03 -0.80 2.43 4.07 -0.48 -3.01 115.31 118.14 3ie2 h LEU 325 Ca 0.63 -0.71 0.15 0.00 0.08 0.00 0.00 57.88 58.03 3ie2 h LEU 325 Cb 1.18 -0.01 -0.15 0.00 1.08 0.00 0.00 40.66 42.76 3ie2 h LEU 325 CO -0.47 0.73 -0.28 0.50 -1.08 0.00 0.00 178.44 177.85 3ie2 h LYS 326 N -0.67 -0.04 -1.02 1.13 3.64 -0.29 1.74 116.57 121.06 3ie2 h LYS 326 Ca -0.00 0.00 -0.36 0.00 -1.27 0.00 0.00 60.65 59.02 3ie2 h LYS 326 Cb 0.74 0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 32.35 3ie2 h LYS 326 CO 0.01 -0.03 0.46 0.72 -2.27 0.00 0.00 179.45 178.34 3ie2 n HIS 327 N -5.50 2.11 -0.40 1.91 8.25 -0.50 -4.13 115.22 116.96 3ie2 n HIS 327 Ca 0.10 -1.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.08 3ie2 n HIS 327 Cb 0.40 -0.75 0.00 0.00 1.12 0.00 0.00 29.99 30.76 3ie2 n HIS 327 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ie2 n GLY 328 N -0.60 0.46 0.13 -1.41 0.00 0.63 -4.87 105.19 99.53 3ie2 n GLY 328 Ca 0.41 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.56 3ie2 n GLY 328 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ie2 n LEU 329 N 0.00 0.77 -2.62 0.99 7.94 0.56 -3.50 117.00 121.14 3ie2 n LEU 329 Ca 0.00 0.64 -0.37 0.00 -1.11 0.00 0.00 56.01 55.17 3ie2 n LEU 329 Cb 0.00 -0.47 0.05 0.00 0.53 0.00 0.00 43.42 43.54 3ie2 n LEU 329 CO 0.00 -0.42 1.39 -1.54 -1.11 0.00 0.00 177.39 175.71 3ie2 n SER 330 N -2.29 7.35 -3.27 1.96 3.41 -1.05 -0.34 113.62 119.39 3ie2 n SER 330 Ca 0.03 -3.81 -0.04 0.00 -0.26 0.00 0.00 58.87 54.80 3ie2 n SER 330 Cb 0.32 -0.97 -0.05 0.00 -0.26 0.00 0.00 64.21 63.25 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 -1.61 -0.40 0.30 4.04 3.68 -1.23 -4.89 116.67 116.56 3ie2 s ASP 331 Ca 0.57 0.45 0.16 0.00 2.13 0.00 0.00 52.55 55.85 3ie2 s ASP 331 Cb 0.46 1.53 0.85 0.00 -1.45 0.00 0.00 42.92 44.31 3ie2 s ASP 331 CO -0.22 -0.29 1.41 -0.81 0.13 0.00 0.00 175.17 175.39 3ie2 n PRO 332 N 5.39 0.10 0.14 4.34 -0.04 -1.25 -1.61 135.00 142.07 3ie2 n PRO 332 Ca -0.02 0.58 0.10 0.00 -0.04 0.00 0.00 63.50 64.13 3ie2 n PRO 332 Cb 0.50 -2.02 0.05 0.00 -0.04 0.00 0.00 33.50 32.00 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 -6.99 0.54 3.08 -1.94 -3.41 114.38 105.66 3ie2 h ARG 333 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.60 3ie2 h ARG 333 Cb 0.35 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3ie2 h ARG 333 CO 0.00 0.04 0.30 -0.80 -1.07 0.00 0.00 179.97 178.45 3ie2 s ASN 334 N -5.74 6.97 -0.12 7.04 0.01 -0.63 -4.00 114.94 118.47 3ie2 s ASN 334 Ca 0.02 1.65 0.02 0.00 -0.71 0.00 0.00 52.86 53.83 3ie2 s ASN 334 Cb 0.08 -2.52 0.02 0.00 0.41 0.00 0.00 41.25 39.23 3ie2 s ASN 334 CO 0.75 -0.30 -0.17 0.00 -1.51 0.00 0.00 177.10 175.87 3ie2 s ALA 335 N -2.08 1.85 -0.19 0.60 0.00 -0.27 -1.87 121.76 119.79 3ie2 s ALA 335 Ca 0.59 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 51.57 3ie2 s ALA 335 Cb -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 3ie2 s ALA 335 CO 0.15 -0.12 0.29 -1.17 0.00 0.00 0.00 175.76 174.91 3ie2 s LEU 336 N 1.04 4.19 -0.15 0.00 0.20 0.23 -2.52 118.68 121.67 3ie2 s LEU 336 Ca -0.05 0.42 0.01 0.00 0.69 0.00 0.00 54.13 55.20 3ie2 s LEU 336 Cb -0.15 -2.35 0.02 0.00 -0.43 0.00 0.00 46.19 43.28 3ie2 s LEU 336 CO -0.03 0.04 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.21 3ie2 s VAL 337 N 0.84 1.74 -0.30 1.68 1.01 -1.14 -1.26 120.40 122.97 3ie2 s VAL 337 Ca 0.15 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 3ie2 s VAL 337 Cb -0.13 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3ie2 s VAL 337 CO 0.05 0.49 0.59 -0.36 0.00 0.00 0.00 175.10 175.87 3ie2 s PHE 338 N 1.23 3.22 -0.42 5.22 0.08 0.39 -3.78 117.98 123.92 3ie2 s PHE 338 Ca 0.01 0.55 0.15 0.00 0.12 0.00 0.00 56.93 57.76 3ie2 s PHE 338 Cb -0.14 -2.92 0.70 0.00 -0.57 0.00 0.00 43.02 40.09 3ie2 s PHE 338 CO -0.08 -0.44 1.62 1.33 -0.10 0.00 0.00 175.22 177.55 3ie2 n VAL 339 N 5.35 2.40 -3.55 -0.44 0.24 -1.26 -0.93 118.33 120.13 3ie2 n VAL 339 Ca -0.02 -1.49 -0.15 0.00 -2.04 0.00 0.00 64.34 60.65 3ie2 n VAL 339 Cb 0.49 -0.16 -0.06 0.00 -1.47 0.00 0.00 33.84 32.64 3ie2 n VAL 339 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ie2 s GLY 340 N -1.14 -0.44 0.00 7.63 0.00 -1.26 -4.63 107.32 107.48 3ie2 s GLY 340 Ca 0.49 1.67 -0.33 0.00 0.00 0.00 0.00 44.72 46.55 3ie2 s GLY 340 CO 0.16 1.05 1.82 2.98 0.00 0.00 0.00 173.10 179.11 3ie2 n TYR 341 N 0.97 2.37 -3.59 1.90 4.19 -1.26 -4.96 117.16 116.79 3ie2 n TYR 341 Ca -0.15 -0.01 -0.37 0.00 3.31 0.00 0.00 57.90 60.68 3ie2 n TYR 341 Cb 0.57 -2.66 -0.10 0.00 0.49 0.00 0.00 39.34 37.64 3ie2 n TYR 341 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 3ie2 s GLN 342 N 3.28 4.04 0.25 2.98 -1.52 -1.26 -5.01 119.66 122.42 3ie2 s GLN 342 Ca 0.88 -0.20 -0.30 0.00 -1.95 0.00 0.00 55.36 53.79 3ie2 s GLN 342 Cb -0.64 -3.58 -0.11 0.00 -0.22 0.00 0.00 33.01 28.46 3ie2 s GLN 342 CO 0.46 -0.05 1.53 -1.25 -0.25 0.00 0.00 175.29 175.74 3ie2 s PRO 343 N 1.37 4.20 0.58 2.91 0.04 -1.26 -4.74 135.00 138.09 3ie2 s PRO 343 Ca 0.09 2.44 -0.16 0.00 0.04 0.00 0.00 61.00 63.41 3ie2 s PRO 343 Cb -0.15 -3.08 -0.05 0.00 0.04 0.00 0.00 34.50 31.27 3ie2 s PRO 343 CO 0.07 -0.55 1.04 -1.14 0.04 0.00 0.00 177.00 176.47 3ie2 s GLN 344 N -0.15 3.46 0.00 4.56 0.74 -1.26 -3.75 119.66 123.26 3ie2 s GLN 344 Ca 0.63 1.14 0.00 0.00 0.05 0.00 0.00 55.36 57.18 3ie2 s GLN 344 Cb -0.45 -2.06 0.00 0.00 1.10 0.00 0.00 33.01 31.61 3ie2 s GLN 344 CO 0.43 -0.69 0.00 0.41 -0.55 0.00 0.00 175.29 174.89 3ie2 n GLY 345 N -1.14 0.80 1.58 2.59 0.00 -1.26 -4.99 105.19 102.76 3ie2 n GLY 345 Ca 0.08 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.57 3ie2 n GLY 345 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie2 n GLY 346 N -2.28 3.33 0.08 -0.02 0.00 -1.25 -5.03 105.19 100.03 3ie2 n GLY 346 Ca 0.00 -1.72 0.08 0.00 0.00 0.00 0.00 46.02 44.37 3ie2 n GLY 346 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ie2 n LEU 347 N 0.00 0.33 -0.08 0.99 7.94 -1.26 -0.78 117.00 124.14 3ie2 n LEU 347 Ca 0.03 0.62 -0.15 0.00 -1.11 0.00 0.00 56.01 55.40 3ie2 n LEU 347 Cb 0.29 -0.62 -0.13 0.00 0.53 0.00 0.00 43.42 43.50 3ie2 n LEU 347 CO 0.15 -0.60 0.24 1.23 -1.11 0.00 0.00 177.39 177.30 3ie2 h GLY 348 N 1.05 0.00 2.00 -3.96 0.00 -1.83 -2.88 103.07 97.45 3ie2 h GLY 348 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3ie2 h GLY 348 CO 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 176.54 175.93 3ie2 h ALA 349 N -0.09 0.72 -0.26 3.60 0.00 -1.68 -2.27 119.26 119.28 3ie2 h ALA 349 Ca -0.06 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.17 3ie2 h ALA 349 Cb 1.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3ie2 h ALA 349 CO -0.03 0.77 -0.36 1.49 0.00 0.00 0.00 179.25 181.11 3ie2 h GLU 350 N 0.00 0.57 0.00 0.00 4.81 -1.09 0.62 114.58 119.48 3ie2 h GLU 350 Ca -0.01 -0.27 -0.15 0.00 -0.13 0.00 0.00 59.36 58.81 3ie2 h GLU 350 Cb 1.31 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 3ie2 h GLU 350 CO 0.08 0.84 -0.75 0.82 -0.73 0.00 0.00 179.01 179.27 3ie2 h ILE 351 N 0.48 1.13 0.00 2.32 2.04 -1.47 -3.13 117.51 118.88 3ie2 h ILE 351 Ca 0.05 -2.62 -0.07 0.00 1.00 0.00 0.00 64.86 63.22 3ie2 h ILE 351 Cb 0.84 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 3ie2 h ILE 351 CO 0.07 0.64 -0.34 0.40 0.00 0.00 0.00 178.15 178.92 3ie2 h ILE 352 N 0.00 0.62 -0.08 -0.67 2.04 -1.17 -3.06 117.51 115.18 3ie2 h ILE 352 Ca -0.02 -1.77 0.02 0.00 1.00 0.00 0.00 64.86 64.09 3ie2 h ILE 352 Cb 1.54 2.23 -0.00 0.00 -0.74 0.00 0.00 36.82 39.84 3ie2 h ILE 352 CO 0.09 0.34 0.11 0.00 0.00 0.00 0.00 178.15 178.68 3ie2 h ALA 353 N 1.66 1.59 -3.97 1.87 0.00 -0.81 -3.46 119.26 116.13 3ie2 h ALA 353 Ca -0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 3ie2 h ALA 353 Cb 1.20 0.01 0.08 0.00 0.00 0.00 0.00 17.79 19.07 3ie2 h ALA 353 CO 0.04 -0.15 -0.45 -2.13 0.00 0.00 0.00 179.25 176.56 3ie2 n ARG 354 N -3.69 -4.82 -0.86 0.00 3.00 -1.16 -5.02 116.66 104.11 3ie2 n ARG 354 Ca -0.01 0.58 -0.25 0.00 -0.00 0.00 0.00 57.85 58.17 3ie2 n ARG 354 Cb 0.21 -4.83 0.21 0.00 0.00 0.00 0.00 32.46 28.05 3ie2 n ARG 354 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3ie2 n PRO 355 N -3.40 -2.84 0.37 -0.14 -0.04 -1.26 -4.94 135.00 122.75 3ie2 n PRO 355 Ca -0.02 -1.46 -0.18 0.00 -0.04 0.00 0.00 63.50 61.80 3ie2 n PRO 355 Cb 0.55 -1.38 -0.09 0.00 -0.04 0.00 0.00 33.50 32.55 3ie2 n PRO 355 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 3ie2 h PRO 356 N 0.00 -0.90 -3.40 0.54 0.13 -1.95 -3.46 132.00 122.96 3ie2 h PRO 356 Ca -0.34 0.06 -0.14 0.00 -0.87 0.00 0.00 66.00 64.71 3ie2 h PRO 356 Cb 1.05 0.20 -0.21 0.00 0.13 0.00 0.00 31.00 32.18 3ie2 h PRO 356 CO 0.22 -0.60 -0.45 0.00 -0.23 0.00 0.00 178.00 176.95 3ie2 s ALA 357 N -6.04 -0.43 0.17 -0.56 0.00 -1.26 -2.90 121.76 110.75 3ie2 s ALA 357 Ca -0.18 0.01 0.07 0.00 0.00 0.00 0.00 51.96 51.86 3ie2 s ALA 357 Cb 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3ie2 s ALA 357 CO 0.62 -0.21 -0.01 0.08 0.00 0.00 0.00 175.76 176.24 3ie2 s VAL 358 N -1.27 3.69 -0.14 0.00 1.01 -1.02 -4.95 120.40 117.72 3ie2 s VAL 358 Ca -0.13 -1.44 -0.17 0.00 0.00 0.00 0.00 61.98 60.24 3ie2 s VAL 358 Cb -0.07 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3ie2 s VAL 358 CO 0.02 -0.11 0.44 -0.60 0.00 0.00 0.00 175.10 174.85 3ie2 s ARG 359 N -2.93 4.30 -0.14 2.72 3.52 -1.26 -1.27 118.95 123.89 3ie2 s ARG 359 Ca 0.27 0.37 -0.04 0.00 -0.13 0.00 0.00 55.73 56.20 3ie2 s ARG 359 Cb -0.09 -3.45 0.07 0.00 -1.56 0.00 0.00 34.95 29.91 3ie2 s ARG 359 CO 0.18 0.13 0.25 0.42 -0.81 0.00 0.00 175.30 175.48 3ie2 s ILE 360 N 0.73 -0.40 -1.18 4.11 1.01 0.13 -4.94 121.20 120.67 3ie2 s ILE 360 Ca 0.24 0.24 -0.06 0.00 0.00 0.00 0.00 60.65 61.07 3ie2 s ILE 360 Cb -0.15 -0.47 -0.02 0.00 0.01 0.00 0.00 42.46 41.83 3ie2 s ILE 360 CO 0.09 0.08 0.84 0.18 0.00 0.00 0.00 174.94 176.13 3ie2 n LEU 361 N 5.35 -4.01 -2.82 2.97 4.77 -1.26 -2.17 117.00 119.83 3ie2 n LEU 361 Ca -0.06 -0.78 -0.21 0.00 -0.03 0.00 0.00 56.01 54.93 3ie2 n LEU 361 Cb 0.50 -2.87 0.01 0.00 -2.33 0.00 0.00 43.42 38.73 3ie2 n LEU 361 CO 0.03 0.32 -0.10 0.61 -1.33 0.00 0.00 177.39 176.92 3ie2 n GLY 362 N -1.40 -0.51 3.05 -0.72 0.00 -1.26 -4.97 105.19 99.39 3ie2 n GLY 362 Ca -0.19 0.07 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -5.48 0.20 -0.85 1.61 2.56 -0.92 -5.08 118.70 110.75 3ie2 s GLU 363 Ca 0.19 0.55 -0.21 0.00 0.00 0.00 0.00 54.97 55.50 3ie2 s GLU 363 Cb -0.09 -0.12 0.10 0.00 2.00 0.00 0.00 34.13 36.02 3ie2 s GLU 363 CO 0.24 -0.17 1.12 -2.00 -0.56 0.00 0.00 175.26 173.88 3ie2 s GLU 364 N 1.33 3.43 0.16 4.30 2.56 -1.26 0.19 118.70 129.41 3ie2 s GLU 364 Ca -0.09 -1.35 -0.27 0.00 0.00 0.00 0.00 54.97 53.27 3ie2 s GLU 364 Cb -0.10 -4.73 -0.08 0.00 2.00 0.00 0.00 34.13 31.22 3ie2 s GLU 364 CO -0.09 -1.85 0.84 0.14 -0.56 0.00 0.00 175.26 173.74 3ie2 s VAL 365 N 3.48 4.35 0.15 3.70 -7.23 -0.40 -4.92 120.40 119.53 3ie2 s VAL 365 Ca 0.31 1.83 -0.30 0.00 -1.81 0.00 0.00 61.98 62.01 3ie2 s VAL 365 Cb -0.08 -4.21 -0.07 0.00 0.56 0.00 0.00 36.38 32.58 3ie2 s VAL 365 CO -0.03 0.48 1.21 -2.84 -0.31 0.00 0.00 175.10 173.61 3ie2 s PRO 366 N -0.90 4.46 -0.95 4.82 0.02 -1.26 -2.45 135.00 138.75 3ie2 s PRO 366 Ca 0.39 1.86 -0.13 0.00 0.02 0.00 0.00 61.00 63.14 3ie2 s PRO 366 Cb -0.24 -3.27 0.22 0.00 0.02 0.00 0.00 34.50 31.23 3ie2 s PRO 366 CO 0.28 -0.16 0.97 -1.17 -0.33 0.00 0.00 177.00 176.58 3ie2 s LEU 367 N 0.21 6.26 -0.02 -5.54 2.96 -1.14 -2.54 118.68 118.88 3ie2 s LEU 367 Ca 0.55 -2.86 0.07 0.00 -0.22 0.00 0.00 54.13 51.67 3ie2 s LEU 367 Cb -0.32 -2.25 -0.10 0.00 0.50 0.00 0.00 46.19 44.01 3ie2 s LEU 367 CO 0.34 -0.59 0.13 0.54 -1.32 0.00 0.00 176.35 175.46 3ie2 n ARG 368 N 4.16 0.56 -1.50 1.98 1.74 0.54 -4.91 116.66 119.23 3ie2 n ARG 368 Ca 0.20 -0.05 -0.35 0.00 -0.77 0.00 0.00 57.85 56.87 3ie2 n ARG 368 Cb 0.45 -1.16 0.09 0.00 -1.02 0.00 0.00 32.46 30.82 3ie2 n ARG 368 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie2 s ALA 369 N -2.43 2.17 0.03 7.54 0.00 0.07 -3.97 121.76 125.17 3ie2 s ALA 369 Ca -0.03 1.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.72 3ie2 s ALA 369 Cb 0.04 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.59 3ie2 s ALA 369 CO 0.28 -1.85 0.69 -1.54 0.00 0.00 0.00 175.76 173.35 3ie2 s SER 370 N -1.77 7.12 0.08 0.00 1.04 -0.78 -4.92 113.70 114.46 3ie2 s SER 370 Ca 0.78 1.33 0.07 0.00 0.48 0.00 0.00 55.95 58.61 3ie2 s SER 370 Cb -0.33 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.33 3ie2 s SER 370 CO 0.44 0.07 -0.12 -0.69 0.98 0.00 0.00 173.24 173.91 3ie2 s VAL 371 N -0.19 3.22 -0.08 5.02 1.01 -1.26 0.77 120.40 128.90 3ie2 s VAL 371 Ca 0.35 -1.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 3ie2 s VAL 371 Cb -0.20 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.75 3ie2 s VAL 371 CO 0.21 0.21 0.23 -1.00 0.00 0.00 0.00 175.10 174.74 3ie2 s HIS 372 N -1.11 -0.25 -0.22 5.22 3.76 -0.39 -4.94 115.29 117.37 3ie2 s HIS 372 Ca 0.19 0.60 -0.01 0.00 -0.15 0.00 0.00 55.06 55.68 3ie2 s HIS 372 Cb -0.11 0.08 0.02 0.00 1.11 0.00 0.00 32.58 33.68 3ie2 s HIS 372 CO 0.10 -0.13 -0.10 0.99 -0.85 0.00 0.00 174.74 174.75 3ie2 s THR 373 N 0.06 2.71 -0.79 1.30 2.01 -1.26 -0.46 115.64 119.21 3ie2 s THR 373 Ca -0.01 -0.91 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 3ie2 s THR 373 Cb -0.02 -2.29 0.20 0.00 0.01 0.00 0.00 72.50 70.40 3ie2 s THR 373 CO 0.00 0.34 0.65 -0.76 -0.69 0.00 0.00 174.62 174.17 3ie2 s LEU 374 N 1.34 5.57 0.00 4.42 1.43 -0.11 -4.91 118.68 126.42 3ie2 s LEU 374 Ca 0.02 -3.27 0.16 0.00 -1.03 0.00 0.00 54.13 50.01 3ie2 s LEU 374 Cb -0.15 -1.93 0.92 0.00 0.03 0.00 0.00 46.19 45.06 3ie2 s LEU 374 CO -0.07 -0.30 1.35 0.61 0.23 0.00 0.00 176.35 178.17 3ie2 n GLY 375 N 2.97 -0.50 0.05 -3.19 0.00 -1.26 -3.13 105.19 100.13 3ie2 n GLY 375 Ca 0.15 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3ie2 n GLY 375 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie2 n GLY 376 N -0.03 -1.39 1.35 -0.02 0.00 -1.26 -3.08 105.19 100.76 3ie2 n GLY 376 Ca 0.11 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 46.15 3ie2 n GLY 376 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ie2 n PHE 377 N -1.85 1.28 -2.10 1.61 3.01 -1.18 -4.67 117.46 113.55 3ie2 n PHE 377 Ca 0.05 -0.44 -0.41 0.00 1.01 0.00 0.00 57.45 57.66 3ie2 n PHE 377 Cb 0.30 -0.35 -0.02 0.00 -0.01 0.00 0.00 39.48 39.39 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 -0.47 6.76 0.00 4.37 0.15 -1.18 -4.86 113.70 118.47 3ie2 s SER 378 Ca 0.33 2.62 0.26 0.00 0.70 0.00 0.00 55.95 59.87 3ie2 s SER 378 Cb 0.25 -2.63 0.76 0.00 -1.71 0.00 0.00 66.02 62.69 3ie2 s SER 378 CO 0.10 -0.59 1.59 0.61 1.20 0.00 0.00 173.24 176.15 3ie2 n GLY 379 N 1.57 -1.32 3.95 9.45 0.00 -1.26 -4.33 105.19 113.24 3ie2 n GLY 379 Ca 0.03 -0.27 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.99 3.48 0.61 1.61 3.76 -1.26 -3.05 115.29 117.45 3ie2 s HIS 380 Ca 0.12 0.22 -0.09 0.00 -0.15 0.00 0.00 55.06 55.16 3ie2 s HIS 380 Cb 0.18 -1.77 -0.02 0.00 1.11 0.00 0.00 32.58 32.08 3ie2 s HIS 380 CO 0.64 0.30 0.98 0.00 -0.85 0.00 0.00 174.74 175.81 3ie2 s ALA 381 N -2.08 3.13 0.21 -1.40 0.00 -1.20 -3.84 121.76 116.57 3ie2 s ALA 381 Ca 0.38 -0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.06 3ie2 s ALA 381 Cb -0.10 -2.90 -0.04 0.00 0.00 0.00 0.00 23.12 20.08 3ie2 s ALA 381 CO 0.32 -0.77 0.20 0.20 0.00 0.00 0.00 175.76 175.72 3ie2 s GLY 382 N -4.23 1.53 0.20 0.00 0.00 -1.26 -4.38 107.32 99.17 3ie2 s GLY 382 Ca 0.54 -1.27 -0.03 0.00 0.00 0.00 0.00 44.72 43.96 3ie2 s GLY 382 CO 0.50 -1.30 1.05 -0.18 0.00 0.00 0.00 173.10 173.18 3ie2 n GLN 383 N -0.82 -0.06 -0.21 2.90 7.27 0.19 0.14 117.38 126.79 3ie2 n GLN 383 Ca -0.08 1.03 -0.05 0.00 0.07 0.00 0.00 57.00 57.97 3ie2 n GLN 383 Cb 0.56 -1.57 0.05 0.00 2.41 0.00 0.00 30.24 31.69 3ie2 n GLN 383 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 3ie2 h ASP 384 N 0.00 0.64 0.82 1.69 -0.00 -1.85 -1.99 116.42 115.72 3ie2 h ASP 384 Ca 0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.38 3ie2 h ASP 384 Cb 0.62 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.80 3ie2 h ASP 384 CO -0.67 0.45 0.00 -0.33 -0.00 0.00 0.00 179.24 178.69 3ie2 h GLU 385 N 0.76 0.00 0.04 4.15 5.08 0.81 -2.66 114.58 122.76 3ie2 h GLU 385 Ca 0.24 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.29 3ie2 h GLU 385 Cb -0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3ie2 h GLU 385 CO -0.08 0.00 -1.77 -0.07 -1.00 0.00 0.00 179.01 176.09 3ie2 h LEU 386 N 0.00 0.12 -0.16 1.33 4.07 -0.74 -2.96 115.31 116.97 3ie2 h LEU 386 Ca 0.00 -0.27 0.00 0.00 0.08 0.00 0.00 57.88 57.69 3ie2 h LEU 386 Cb 0.41 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.11 3ie2 h LEU 386 CO 0.00 1.24 0.00 0.18 -1.08 0.00 0.00 178.44 178.78 3ie2 n LEU 387 N -3.18 0.49 -0.05 1.67 4.77 -0.81 -1.50 117.00 118.39 3ie2 n LEU 387 Ca -0.20 0.57 -0.13 0.00 -0.03 0.00 0.00 56.01 56.21 3ie2 n LEU 387 Cb 1.05 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 41.55 3ie2 n LEU 387 CO 0.45 -0.23 -0.89 0.47 -1.33 0.00 0.00 177.39 175.85 3ie2 n ASP 388 N -1.98 1.13 0.09 -1.43 10.43 -1.02 -2.83 116.55 120.94 3ie2 n ASP 388 Ca 0.05 0.17 -0.12 0.00 2.57 0.00 0.00 54.79 57.46 3ie2 n ASP 388 Cb 0.33 -0.04 -0.08 0.00 1.84 0.00 0.00 41.12 43.17 3ie2 n ASP 388 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 177.20 175.88 3ie2 h TRP 389 N 0.02 -0.26 0.00 1.24 7.01 -1.39 -3.14 115.95 119.42 3ie2 h TRP 389 Ca -0.43 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 60.56 3ie2 h TRP 389 Cb 2.06 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 29.21 3ie2 h TRP 389 CO 0.02 0.13 0.00 -0.07 -2.79 0.00 0.00 178.44 175.73 3ie2 h LEU 390 N -0.81 0.00 -8.38 0.65 4.07 -1.47 -3.42 115.31 105.96 3ie2 h LEU 390 Ca -0.03 0.00 -0.80 0.00 0.08 0.00 0.00 57.88 57.14 3ie2 h LEU 390 Cb 0.51 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.27 3ie2 h LEU 390 CO 0.05 0.00 0.48 1.67 -1.08 0.00 0.00 178.44 179.56 3ie2 n GLN 391 N -2.92 0.00 0.00 1.13 0.00 -1.13 -0.61 117.38 113.85 3ie2 n GLN 391 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 3ie2 n GLN 391 Cb 0.23 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 29.07 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 3.08 1.76 3.69 1.69 0.00 -1.26 -5.03 105.19 109.12 3ie2 n GLY 392 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.48 4.45 0.38 1.61 0.41 0.22 -4.96 118.70 120.33 3ie2 s GLU 393 Ca 0.00 1.41 0.08 0.00 -0.41 0.00 0.00 54.97 56.05 3ie2 s GLU 393 Cb 0.00 -3.52 0.77 0.00 -1.78 0.00 0.00 34.13 29.60 3ie2 s GLU 393 CO 0.00 -0.26 1.94 -1.00 -0.49 0.00 0.00 175.26 175.45 3ie2 h PRO 394 N 7.04 0.34 -2.73 0.39 0.13 -1.89 -3.43 132.00 131.85 3ie2 h PRO 394 Ca -0.33 -0.06 -0.38 0.00 -0.87 0.00 0.00 66.00 64.36 3ie2 h PRO 394 Cb 1.16 -0.05 -0.38 0.00 0.13 0.00 0.00 31.00 31.86 3ie2 h PRO 394 CO 0.83 0.40 -0.68 0.50 -0.23 0.00 0.00 178.00 178.83 3ie2 s ARG 395 N -4.91 0.14 -0.05 0.86 3.52 -1.26 -0.91 118.95 116.34 3ie2 s ARG 395 Ca -0.06 0.08 -0.01 0.00 -0.13 0.00 0.00 55.73 55.61 3ie2 s ARG 395 Cb 0.16 -1.45 -0.04 0.00 -1.56 0.00 0.00 34.95 32.06 3ie2 s ARG 395 CO 0.74 -0.67 0.04 0.08 -0.81 0.00 0.00 175.30 174.68 3ie2 s VAL 396 N 2.25 4.53 -0.25 7.11 1.01 -0.29 -2.06 120.40 132.71 3ie2 s VAL 396 Ca 0.05 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3ie2 s VAL 396 Cb -0.16 -2.98 0.07 0.00 0.00 0.00 0.00 36.38 33.30 3ie2 s VAL 396 CO -0.11 0.49 -0.02 -0.69 0.00 0.00 0.00 175.10 174.77 3ie2 s VAL 397 N -1.03 1.45 0.53 2.92 1.01 -0.12 -2.59 120.40 122.58 3ie2 s VAL 397 Ca 0.17 -1.28 -0.19 0.00 0.00 0.00 0.00 61.98 60.68 3ie2 s VAL 397 Cb -0.12 -1.80 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 3ie2 s VAL 397 CO 0.07 -0.21 1.08 -0.76 0.00 0.00 0.00 175.10 175.28 3ie2 s LEU 398 N 1.41 3.73 0.33 3.92 2.01 -0.70 -2.48 118.68 126.89 3ie2 s LEU 398 Ca -0.02 2.01 -0.18 0.00 0.01 0.00 0.00 54.13 55.94 3ie2 s LEU 398 Cb -0.19 -4.56 0.06 0.00 0.01 0.00 0.00 46.19 41.51 3ie2 s LEU 398 CO -0.08 -1.05 0.84 0.68 1.01 0.00 0.00 176.35 177.75 3ie2 s VAL 399 N -2.00 0.00 -0.38 -1.59 -7.23 -0.49 -1.34 120.40 107.37 3ie2 s VAL 399 Ca 0.69 -0.90 -0.20 0.00 -1.81 0.00 0.00 61.98 59.76 3ie2 s VAL 399 Cb -0.19 -2.79 0.03 0.00 0.56 0.00 0.00 36.38 33.99 3ie2 s VAL 399 CO 0.26 0.00 0.49 0.52 -0.31 0.00 0.00 175.10 176.07 3ie2 n VAL 400 N -0.56 -8.14 0.00 1.32 0.31 0.15 -2.09 118.33 109.31 3ie2 n VAL 400 Ca -0.07 0.73 0.00 0.00 -0.01 0.00 0.00 64.34 64.99 3ie2 n VAL 400 Cb 0.60 -5.68 0.00 0.00 -0.91 0.00 0.00 33.84 27.85 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 0.01 0.65 3.70 2.92 0.00 0.42 -0.87 105.19 112.01 3ie2 n GLY 401 Ca 0.03 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 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 4.32 0.23 1.61 2.02 -1.25 -2.43 118.70 121.19 3ie2 s GLU 402 Ca 0.00 0.59 0.05 0.00 0.02 0.00 0.00 54.97 55.63 3ie2 s GLU 402 Cb 0.00 -3.48 0.66 0.00 0.10 0.00 0.00 34.13 31.40 3ie2 s GLU 402 CO 0.00 0.02 1.10 0.39 0.02 0.00 0.00 175.26 176.79 3ie2 n GLU 403 N 4.10 -0.05 0.22 1.61 1.02 -0.71 0.73 120.64 127.57 3ie2 n GLU 403 Ca -0.04 1.03 -0.14 0.00 -0.02 0.00 0.00 57.16 57.99 3ie2 n GLU 403 Cb 0.51 -1.69 -0.07 0.00 -0.02 0.00 0.00 31.44 30.17 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 -0.73 -0.39 3.49 3.07 -1.92 0.27 114.58 118.38 3ie2 h GLU 404 Ca 0.48 0.05 0.08 0.00 -0.50 0.00 0.00 59.36 59.47 3ie2 h GLU 404 Cb 1.08 0.17 -0.08 0.00 -0.84 0.00 0.00 28.75 29.08 3ie2 h GLU 404 CO -0.62 -0.49 -0.16 0.87 -1.40 0.00 0.00 179.01 177.21 3ie2 h LYS 405 N -0.76 -0.08 -0.04 2.33 1.79 -0.06 0.24 116.57 120.00 3ie2 h LYS 405 Ca -0.05 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 3ie2 h LYS 405 Cb 0.65 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.27 3ie2 h LYS 405 CO -0.04 -0.05 -0.37 -0.07 -1.08 0.00 0.00 179.45 177.83 3ie2 h LEU 406 N -0.09 -1.13 -1.58 2.94 4.07 -0.53 0.22 115.31 119.21 3ie2 h LEU 406 Ca 0.19 0.15 0.01 0.00 0.08 0.00 0.00 57.88 58.31 3ie2 h LEU 406 Cb 0.38 0.45 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 3ie2 h LEU 406 CO -0.45 -0.41 0.29 -0.07 -1.08 0.00 0.00 178.44 176.72 3ie2 h LEU 407 N -0.50 0.49 0.53 1.67 -0.00 -0.02 0.48 115.31 117.95 3ie2 h LEU 407 Ca 0.06 -0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.91 3ie2 h LEU 407 Cb 0.60 -0.12 0.01 0.00 -0.00 0.00 0.00 40.66 41.15 3ie2 h LEU 407 CO -0.32 0.35 -0.26 0.00 -0.00 0.00 0.00 178.44 178.22 3ie2 h ALA 408 N 1.73 -0.71 -0.54 1.53 0.00 0.80 0.13 119.26 122.20 3ie2 h ALA 408 Ca 0.16 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ie2 h ALA 408 Cb -0.04 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3ie2 h ALA 408 CO -0.04 -0.89 0.34 1.25 0.00 0.00 0.00 179.25 179.92 3ie2 h LEU 409 N -0.75 0.58 -0.85 0.00 6.46 -0.18 -2.47 115.31 118.10 3ie2 h LEU 409 Ca -0.07 -0.01 0.13 0.00 -0.12 0.00 0.00 57.88 57.81 3ie2 h LEU 409 Cb 0.56 -0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 40.27 3ie2 h LEU 409 CO 0.12 0.41 0.45 1.23 -0.62 0.00 0.00 178.44 180.03 3ie2 h GLY 410 N 0.69 1.36 1.00 3.75 0.00 0.35 -0.91 103.07 109.31 3ie2 h GLY 410 Ca 0.21 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 3ie2 h GLY 410 CO -0.07 0.01 0.44 1.70 0.00 0.00 0.00 176.54 178.63 3ie2 h LYS 411 N 0.67 0.96 -0.01 4.80 3.64 -0.28 -1.37 116.57 124.98 3ie2 h LYS 411 Ca 0.45 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 3ie2 h LYS 411 Cb 0.58 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3ie2 h LYS 411 CO -0.33 0.66 0.01 -0.07 -2.27 0.00 0.00 179.45 177.45 3ie2 h LEU 412 N 0.97 0.01 -0.13 5.20 3.38 -1.03 -2.59 115.31 121.12 3ie2 h LEU 412 Ca 0.26 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 3ie2 h LEU 412 Cb -0.06 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3ie2 h LEU 412 CO -0.05 0.02 0.08 -0.07 0.09 0.00 0.00 178.44 178.51 3ie2 h LEU 413 N -0.00 0.16 -0.81 1.67 3.38 -1.19 -2.69 115.31 115.82 3ie2 h LEU 413 Ca 0.00 -0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.10 3ie2 h LEU 413 Cb 0.01 -0.04 -0.12 0.00 0.09 0.00 0.00 40.66 40.60 3ie2 h LEU 413 CO -0.00 0.17 0.22 0.00 0.09 0.00 0.00 178.44 178.92 3ie2 h ALA 414 N 0.99 1.12 0.00 1.53 0.00 -1.15 0.37 119.26 122.12 3ie2 h ALA 414 Ca 0.05 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ie2 h ALA 414 Cb 0.05 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3ie2 h ALA 414 CO -0.01 -0.38 -0.02 -0.07 0.00 0.00 0.00 179.25 178.77 3ie2 h LEU 415 N 0.26 0.00 -0.64 0.00 3.38 -1.12 -1.34 115.31 115.86 3ie2 h LEU 415 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 3ie2 h LEU 415 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3ie2 h LEU 415 CO -0.57 0.02 -0.04 0.54 0.09 0.00 0.00 178.44 178.48 3ie2 n ARG 416 N -3.83 1.34 -0.03 1.13 1.74 0.13 -4.90 116.66 112.24 3ie2 n ARG 416 Ca -0.03 -0.64 0.00 0.00 -0.77 0.00 0.00 57.85 56.41 3ie2 n ARG 416 Cb 0.10 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3ie2 n ARG 416 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ie2 n GLY 417 N 1.17 0.35 3.72 -0.13 0.00 -0.50 -5.05 105.19 104.74 3ie2 n GLY 417 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3ie2 n GLY 417 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ie2 s GLN 418 N -0.91 4.48 -0.81 1.61 -0.21 -1.12 -4.96 119.66 117.73 3ie2 s GLN 418 Ca 0.00 1.70 -0.25 0.00 0.02 0.00 0.00 55.36 56.83 3ie2 s GLN 418 Cb 0.00 -3.36 0.04 0.00 1.00 0.00 0.00 33.01 30.70 3ie2 s GLN 418 CO 0.00 -0.17 1.28 -2.00 -2.12 0.00 0.00 175.29 172.28 3ie2 s GLU 419 N 0.85 3.30 0.46 2.91 2.12 -0.09 -3.71 118.70 124.54 3ie2 s GLU 419 Ca 0.56 -0.59 0.03 0.00 0.36 0.00 0.00 54.97 55.34 3ie2 s GLU 419 Cb -0.28 -4.51 0.01 0.00 0.26 0.00 0.00 34.13 29.61 3ie2 s GLU 419 CO 0.30 -2.12 0.65 0.54 -0.54 0.00 0.00 175.26 174.10 3ie2 s VAL 420 N 5.25 3.29 0.00 3.70 0.11 -1.26 -1.13 120.40 130.36 3ie2 s VAL 420 Ca 0.36 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 3ie2 s VAL 420 Cb -0.07 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.60 3ie2 s VAL 420 CO 0.07 -0.10 0.00 -1.54 -3.33 0.00 0.00 175.10 170.20 3ie2 n SER 421 N -2.05 0.00 -4.72 3.54 3.41 -1.07 -4.93 113.62 107.80 3ie2 n SER 421 Ca 0.05 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.30 3ie2 n SER 421 Cb 0.59 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.47 3ie2 n SER 421 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ie2 s LEU 422 N 0.00 4.23 0.46 1.04 1.02 -1.26 -1.72 118.68 122.45 3ie2 s LEU 422 Ca 0.00 0.50 -0.25 0.00 0.02 0.00 0.00 54.13 54.41 3ie2 s LEU 422 Cb 0.00 -2.38 -0.08 0.00 0.02 0.00 0.00 46.19 43.74 3ie2 s LEU 422 CO 0.00 0.08 1.37 0.00 0.02 0.00 0.00 176.35 177.82 3ie2 n ALA 423 N 3.66 1.72 -3.61 4.21 0.00 -0.45 -4.89 120.51 121.15 3ie2 n ALA 423 Ca -0.12 0.23 -0.33 0.00 0.00 0.00 0.00 53.44 53.23 3ie2 n ALA 423 Cb 0.52 -2.35 -0.16 0.00 0.00 0.00 0.00 19.45 17.46 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 -2.44 3.07 0.01 0.00 0.52 -1.26 -4.05 118.95 114.79 3ie2 s ARG 424 Ca 0.63 -0.83 -0.38 0.00 -0.52 0.00 0.00 55.73 54.62 3ie2 s ARG 424 Cb -0.46 -2.48 -0.18 0.00 0.52 0.00 0.00 34.95 32.35 3ie2 s ARG 424 CO 0.56 -0.00 1.29 0.34 0.02 0.00 0.00 175.30 177.51 3ie2 n PHE 425 N 4.06 1.28 0.00 -0.53 7.35 -1.26 -0.74 117.46 127.61 3ie2 n PHE 425 Ca -0.20 0.79 0.00 0.00 -0.76 0.00 0.00 57.45 57.28 3ie2 n PHE 425 Cb 0.52 -2.26 0.00 0.00 0.35 0.00 0.00 39.48 38.09 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 2.37 3.09 3.56 7.13 0.00 -0.41 -4.99 105.19 115.93 3ie2 n GLY 426 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.18 3.53 0.80 1.61 8.01 0.08 -4.89 118.70 127.66 3ie2 s GLU 427 Ca 0.00 0.11 -0.11 0.00 0.01 0.00 0.00 54.97 54.99 3ie2 s GLU 427 Cb 0.00 -3.91 0.07 0.00 -4.31 0.00 0.00 34.13 25.98 3ie2 s GLU 427 CO 0.00 -1.13 1.09 0.20 0.01 0.00 0.00 175.26 175.43 3ie2 s GLY 428 N 2.16 1.67 -0.05 -1.39 0.00 -1.26 -4.31 107.32 104.13 3ie2 s GLY 428 Ca 0.34 0.23 0.01 0.00 0.00 0.00 0.00 44.72 45.30 3ie2 s GLY 428 CO 0.24 0.61 -0.04 0.14 0.00 0.00 0.00 173.10 174.05 3ie2 s VAL 429 N -2.89 0.51 0.33 1.40 1.01 0.52 -4.94 120.40 116.33 3ie2 s VAL 429 Ca 0.62 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.24 3ie2 s VAL 429 Cb -0.18 -0.56 -0.09 0.00 0.00 0.00 0.00 36.38 35.56 3ie2 s VAL 429 CO 0.56 0.23 1.09 -2.16 0.00 0.00 0.00 175.10 174.82 3ie2 s PRO 430 N 1.07 4.42 0.00 2.72 0.04 -1.26 -0.58 135.00 141.40 3ie2 s PRO 430 Ca -0.09 1.71 0.29 0.00 0.04 0.00 0.00 61.00 62.95 3ie2 s PRO 430 Cb -0.14 -2.91 1.27 0.00 0.04 0.00 0.00 34.50 32.75 3ie2 s PRO 430 CO -0.01 0.04 1.87 0.28 0.04 0.00 0.00 177.00 179.21