#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 0.12 -0.10 2.12 1.70 0.03 -1.48 118.95 121.34 3ie2 s ARG 2 Ca 0.00 0.14 -0.03 0.00 -0.47 0.00 0.00 55.73 55.36 3ie2 s ARG 2 Cb 0.00 0.06 -0.03 0.00 -0.57 0.00 0.00 34.95 34.41 3ie2 s ARG 2 CO 0.00 -0.02 0.03 -1.50 -1.08 0.00 0.00 175.30 172.74 3ie2 s ILE 3 N 0.04 4.59 -0.20 4.99 1.10 -0.33 -0.16 121.20 131.23 3ie2 s ILE 3 Ca -0.00 -0.14 0.01 0.00 -0.51 0.00 0.00 60.65 60.01 3ie2 s ILE 3 Cb -0.01 -2.96 0.04 0.00 0.15 0.00 0.00 42.46 39.68 3ie2 s ILE 3 CO 0.00 0.60 -0.14 -0.69 -2.11 0.00 0.00 174.94 172.60 3ie2 s VAL 4 N -0.81 1.85 1.22 4.00 1.01 0.15 -1.07 120.40 126.76 3ie2 s VAL 4 Ca 0.13 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 3ie2 s VAL 4 Cb -0.12 -1.82 0.27 0.00 0.00 0.00 0.00 36.38 34.71 3ie2 s VAL 4 CO 0.03 0.30 0.72 -2.65 0.00 0.00 0.00 175.10 173.49 3ie2 n PRO 5 N 4.64 -2.80 -0.11 2.72 -0.02 -1.26 -1.12 135.00 137.04 3ie2 n PRO 5 Ca -0.17 -0.80 0.00 0.00 -2.02 0.00 0.00 63.50 60.51 3ie2 n PRO 5 Cb 0.47 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 3ie2 n PRO 5 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ie2 n PHE 6 N -5.03 0.00 0.00 6.00 3.72 -0.61 -3.49 117.46 118.05 3ie2 n PHE 6 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 3ie2 n PHE 6 Cb 0.56 0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 3ie2 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ie2 n GLY 7 N 0.00 -0.25 4.25 1.37 0.00 -1.22 -4.55 105.19 104.79 3ie2 n GLY 7 Ca 0.00 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 3ie2 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie2 n ALA 8 N -0.08 -1.60 -2.67 4.61 0.00 -1.11 -4.54 120.51 115.11 3ie2 n ALA 8 Ca 0.00 -0.21 -0.44 0.00 0.00 0.00 0.00 53.44 52.79 3ie2 n ALA 8 Cb 0.00 -2.18 -0.09 0.00 0.00 0.00 0.00 19.45 17.19 3ie2 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ie2 s ALA 9 N -3.70 3.51 -0.50 0.00 0.00 -1.26 -2.24 121.76 117.57 3ie2 s ALA 9 Ca 0.42 -1.89 0.00 0.00 0.00 0.00 0.00 51.96 50.49 3ie2 s ALA 9 Cb -0.23 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 19.87 3ie2 s ALA 9 CO 0.96 -1.63 0.00 0.54 0.00 0.00 0.00 175.76 175.63 3ie2 n ARG 10 N 5.28 -1.56 -3.55 0.00 1.74 -1.26 -4.90 116.66 112.41 3ie2 n ARG 10 Ca -0.11 0.61 -0.13 0.00 -0.77 0.00 0.00 57.85 57.44 3ie2 n ARG 10 Cb 0.45 -4.86 -0.04 0.00 -1.02 0.00 0.00 32.46 26.99 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 -0.40 0.40 -0.10 5.56 0.28 1.00 -3.00 120.64 124.38 3ie2 n GLU 11 Ca -0.05 -2.33 -0.12 0.00 -0.16 0.00 0.00 57.16 54.50 3ie2 n GLU 11 Cb 0.46 2.04 -0.04 0.00 1.43 0.00 0.00 31.44 35.33 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 -0.46 1.50 -0.97 3.84 0.24 -1.26 0.16 118.33 121.39 3ie2 n VAL 12 Ca 0.04 0.06 -0.31 0.00 -2.04 0.00 0.00 64.34 62.09 3ie2 n VAL 12 Cb 0.45 -2.28 0.14 0.00 -1.47 0.00 0.00 33.84 30.68 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 -2.85 2.63 0.00 3.34 -4.23 -1.26 -4.24 115.64 109.03 3ie2 s THR 13 Ca -0.30 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 60.41 3ie2 s THR 13 Cb 0.06 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.43 3ie2 s THR 13 CO 0.44 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 3ie2 n GLY 14 N -0.47 3.10 0.00 3.99 0.00 0.90 -2.76 105.19 109.95 3ie2 n GLY 14 Ca 0.10 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 1.02 0.00 -3.15 1.61 7.64 -1.25 -3.40 113.62 116.09 3ie2 n SER 15 Ca 0.00 0.00 0.04 0.00 1.01 0.00 0.00 58.87 59.92 3ie2 n SER 15 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 -2.93 -0.20 -0.43 0.00 -1.25 -0.22 121.76 116.74 3ie2 s ALA 16 Ca 0.00 1.21 0.01 0.00 0.00 0.00 0.00 51.96 53.18 3ie2 s ALA 16 Cb 0.00 -2.61 0.02 0.00 0.00 0.00 0.00 23.12 20.54 3ie2 s ALA 16 CO 0.00 -1.87 -0.17 -1.01 0.00 0.00 0.00 175.76 172.72 3ie2 s HIS 17 N 2.87 2.87 -0.24 0.00 0.09 -0.87 -1.58 115.29 118.44 3ie2 s HIS 17 Ca 0.16 -1.65 -0.24 0.00 -0.00 0.00 0.00 55.06 53.33 3ie2 s HIS 17 Cb -0.08 -1.95 -0.01 0.00 -0.00 0.00 0.00 32.58 30.55 3ie2 s HIS 17 CO -0.24 -0.79 0.78 -1.17 -0.00 0.00 0.00 174.74 173.32 3ie2 s LEU 18 N 1.29 4.08 -0.32 0.89 2.96 -0.28 0.01 118.68 127.32 3ie2 s LEU 18 Ca 0.03 0.97 -0.17 0.00 -0.22 0.00 0.00 54.13 54.74 3ie2 s LEU 18 Cb -0.14 -3.11 -0.02 0.00 0.50 0.00 0.00 46.19 43.42 3ie2 s LEU 18 CO -0.11 -0.48 0.45 -0.22 -1.32 0.00 0.00 176.35 174.68 3ie2 s LEU 19 N 2.73 4.26 -0.37 -0.68 2.96 0.62 0.31 118.68 128.51 3ie2 s LEU 19 Ca 0.33 0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 54.22 3ie2 s LEU 19 Cb -0.15 -2.51 0.05 0.00 0.50 0.00 0.00 46.19 44.08 3ie2 s LEU 19 CO 0.08 -0.36 0.18 -0.76 -1.32 0.00 0.00 176.35 174.16 3ie2 s LEU 20 N 2.23 4.68 0.14 -0.68 1.43 0.77 -1.70 118.68 125.55 3ie2 s LEU 20 Ca 0.17 -1.23 -0.25 0.00 -1.03 0.00 0.00 54.13 51.78 3ie2 s LEU 20 Cb -0.16 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.19 3ie2 s LEU 20 CO 0.12 -0.41 0.97 0.00 0.23 0.00 0.00 176.35 177.26 3ie2 s ALA 21 N 1.44 -1.68 -0.32 4.21 0.00 -0.93 -0.79 121.76 123.69 3ie2 s ALA 21 Ca 0.01 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3ie2 s ALA 21 Cb -0.20 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.54 3ie2 s ALA 21 CO 0.03 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.18 3ie2 n GLY 22 N -0.46 -0.25 2.22 0.00 0.00 -1.26 0.90 105.19 106.34 3ie2 n GLY 22 Ca -0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.43 0.93 3.25 -0.02 0.00 -1.26 -4.10 105.19 103.56 3ie2 n GLY 23 Ca -0.04 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 3ie2 n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie2 s ARG 24 N -2.74 1.06 -0.23 1.61 1.81 0.26 -5.05 118.95 115.67 3ie2 s ARG 24 Ca 0.00 -1.47 -0.00 0.00 -1.72 0.00 0.00 55.73 52.54 3ie2 s ARG 24 Cb 0.00 -0.52 0.06 0.00 -0.45 0.00 0.00 34.95 34.04 3ie2 s ARG 24 CO 0.00 0.02 -0.02 1.03 -0.68 0.00 0.00 175.30 175.64 3ie2 s ARG 25 N -3.79 1.36 -0.19 3.54 0.52 -1.26 -2.19 118.95 116.93 3ie2 s ARG 25 Ca 0.18 -0.88 -0.03 0.00 -0.52 0.00 0.00 55.73 54.48 3ie2 s ARG 25 Cb 0.04 -2.47 -0.01 0.00 0.52 0.00 0.00 34.95 33.03 3ie2 s ARG 25 CO 0.01 -0.63 -0.06 0.08 0.02 0.00 0.00 175.30 174.72 3ie2 s VAL 26 N 1.50 3.34 0.01 3.52 1.01 -0.69 -0.50 120.40 128.59 3ie2 s VAL 26 Ca -0.04 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 3ie2 s VAL 26 Cb -0.18 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 3ie2 s VAL 26 CO -0.07 0.45 0.75 -0.22 0.00 0.00 0.00 175.10 176.01 3ie2 s LEU 27 N 1.13 4.40 -0.59 3.92 0.20 -0.13 -0.27 118.68 127.34 3ie2 s LEU 27 Ca 0.01 1.37 -0.06 0.00 0.69 0.00 0.00 54.13 56.15 3ie2 s LEU 27 Cb -0.15 -3.19 0.15 0.00 -0.43 0.00 0.00 46.19 42.57 3ie2 s LEU 27 CO -0.01 -0.04 0.44 -0.76 -0.29 0.00 0.00 176.35 175.69 3ie2 s LEU 28 N 0.25 5.56 0.08 -0.68 1.02 0.10 -0.43 118.68 124.58 3ie2 s LEU 28 Ca 0.39 -2.53 0.00 0.00 0.02 0.00 0.00 54.13 52.01 3ie2 s LEU 28 Cb -0.20 -1.94 0.00 0.00 0.02 0.00 0.00 46.19 44.08 3ie2 s LEU 28 CO 0.22 -0.49 0.00 0.47 0.02 0.00 0.00 176.35 176.57 3ie2 n ASP 29 N 4.00 -1.80 -2.64 2.29 8.00 0.81 -2.04 116.55 125.17 3ie2 n ASP 29 Ca 0.04 0.20 -0.11 0.00 0.71 0.00 0.00 54.79 55.63 3ie2 n ASP 29 Cb 0.40 0.17 0.03 0.00 -0.02 0.00 0.00 41.12 41.70 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 -3.18 1.60 0.31 0.00 0.00 0.70 -0.30 107.32 106.45 3ie2 s GLY 31 Ca 0.30 -0.20 0.07 0.00 0.00 0.00 0.00 44.72 44.89 3ie2 s GLY 31 CO 0.01 0.33 0.30 -3.16 0.00 0.00 0.00 173.10 170.57 3ie2 s MET 32 N -4.99 2.85 -0.13 2.90 0.23 -0.96 -3.75 119.30 115.45 3ie2 s MET 32 Ca 0.64 -1.19 -0.24 0.00 -1.03 0.00 0.00 55.69 53.87 3ie2 s MET 32 Cb -0.18 -2.56 -0.03 0.00 -1.53 0.00 0.00 34.83 30.54 3ie2 s MET 32 CO 0.57 0.17 0.75 -0.06 -2.03 0.00 0.00 175.02 174.41 3ie2 s PHE 33 N -2.24 3.47 -0.17 3.16 0.08 -1.26 -0.07 117.98 120.96 3ie2 s PHE 33 Ca 0.39 1.20 -0.02 0.00 0.12 0.00 0.00 56.93 58.63 3ie2 s PHE 33 Cb -0.07 -2.90 -0.01 0.00 -0.57 0.00 0.00 43.02 39.47 3ie2 s PHE 33 CO 0.27 -0.10 -0.09 -0.65 -0.10 0.00 0.00 175.22 174.55 3ie2 s GLN 34 N 1.58 3.38 2.71 0.44 -0.21 -1.26 -3.92 119.66 122.38 3ie2 s GLN 34 Ca 0.36 -0.66 0.00 0.00 0.02 0.00 0.00 55.36 55.09 3ie2 s GLN 34 Cb -0.17 -2.81 0.00 0.00 1.00 0.00 0.00 33.01 31.04 3ie2 s GLN 34 CO 0.14 0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.75 3ie2 n GLY 35 N 4.11 0.30 0.00 3.09 0.00 -1.26 -4.56 105.19 106.87 3ie2 n GLY 35 Ca -0.18 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3ie2 n GLY 35 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3ie2 n LYS 36 N 6.27 0.00 0.27 1.61 0.00 -1.26 0.56 118.16 125.61 3ie2 n LYS 36 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 3ie2 n LYS 36 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 34.98 3ie2 n LYS 36 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3ie2 h GLU 37 N 0.00 -0.68 0.00 -1.58 4.39 -1.92 -3.42 114.58 111.37 3ie2 h GLU 37 Ca 0.00 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3ie2 h GLU 37 Cb 0.00 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3ie2 h GLU 37 CO 0.00 -0.45 0.00 -1.91 -1.16 0.00 0.00 179.01 175.49 3ie2 n GLU 38 N -4.40 0.00 -0.58 2.33 4.07 0.19 -2.62 120.64 119.63 3ie2 n GLU 38 Ca -0.09 0.00 0.46 0.00 -0.06 0.00 0.00 57.16 57.47 3ie2 n GLU 38 Cb 0.28 0.00 0.74 0.00 -0.06 0.00 0.00 31.44 32.40 3ie2 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3ie2 n ALA 39 N 0.42 1.60 -0.39 4.31 0.00 -1.26 -0.27 120.51 124.92 3ie2 n ALA 39 Ca 0.00 0.78 0.32 0.00 0.00 0.00 0.00 53.44 54.54 3ie2 n ALA 39 Cb 0.00 -1.10 0.62 0.00 0.00 0.00 0.00 19.45 18.97 3ie2 n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ie2 h ARG 40 N 0.00 0.18 0.00 0.00 3.08 -1.88 0.17 114.38 115.94 3ie2 h ARG 40 Ca 0.91 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.95 3ie2 h ARG 40 Cb 3.26 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 33.27 3ie2 h ARG 40 CO -0.27 0.12 0.10 0.09 -1.07 0.00 0.00 179.97 178.93 3ie2 n ASN 41 N -4.53 0.09 -0.03 7.04 5.03 0.62 0.49 115.26 123.96 3ie2 n ASN 41 Ca 0.31 0.46 0.05 0.00 0.87 0.00 0.00 54.58 56.26 3ie2 n ASN 41 Cb 1.22 -0.46 -0.16 0.00 -1.02 0.00 0.00 39.78 39.36 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 -1.55 0.00 -2.74 3.10 8.25 0.61 -4.86 115.22 118.03 3ie2 n HIS 42 Ca -0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 3ie2 n HIS 42 Cb 0.10 -0.62 -0.06 0.00 1.12 0.00 0.00 29.99 30.54 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 -3.16 3.27 0.97 -1.41 0.00 0.18 -5.02 121.76 116.59 3ie2 s ALA 43 Ca -0.08 0.59 -0.13 0.00 0.00 0.00 0.00 51.96 52.34 3ie2 s ALA 43 Cb 0.11 -3.21 0.06 0.00 0.00 0.00 0.00 23.12 20.08 3ie2 s ALA 43 CO 0.84 0.16 0.42 -0.35 0.00 0.00 0.00 175.76 176.83 3ie2 n PRO 44 N 0.97 -0.50 -0.13 0.00 -0.04 -1.26 -4.92 135.00 129.13 3ie2 n PRO 44 Ca 0.00 -0.10 -0.10 0.00 -0.04 0.00 0.00 63.50 63.25 3ie2 n PRO 44 Cb 0.48 -1.88 -0.02 0.00 -0.04 0.00 0.00 33.50 32.05 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 -1.67 0.70 0.00 0.54 0.04 -1.95 -3.47 116.94 111.13 3ie2 h PHE 45 Ca -0.45 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.20 3ie2 h PHE 45 Cb 1.29 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.26 3ie2 h PHE 45 CO 0.37 0.73 0.00 0.41 -0.60 0.00 0.00 178.31 179.22 3ie2 n GLY 46 N -0.37 1.93 3.38 -1.45 0.00 -1.26 -4.99 105.19 102.42 3ie2 n GLY 46 Ca -0.01 0.00 -0.20 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 -1.66 1.87 -0.33 1.61 -0.71 -1.26 -5.11 117.98 112.39 3ie2 s PHE 47 Ca 0.00 -0.50 -0.19 0.00 -1.04 0.00 0.00 56.93 55.20 3ie2 s PHE 47 Cb 0.00 -0.85 -0.01 0.00 -1.21 0.00 0.00 43.02 40.95 3ie2 s PHE 47 CO 0.00 0.46 0.54 0.34 -1.34 0.00 0.00 175.22 175.22 3ie2 s ASP 48 N -3.35 6.37 0.34 1.98 2.15 -1.26 -4.94 116.67 117.95 3ie2 s ASP 48 Ca 0.24 0.12 0.04 0.00 0.43 0.00 0.00 52.55 53.39 3ie2 s ASP 48 Cb -0.02 -2.29 0.68 0.00 -0.30 0.00 0.00 42.92 40.99 3ie2 s ASP 48 CO 0.09 -0.47 1.95 1.55 -0.17 0.00 0.00 175.17 178.11 3ie2 h PRO 49 N 8.38 0.81 0.00 4.34 0.13 -1.93 -1.59 132.00 142.14 3ie2 h PRO 49 Ca -0.28 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3ie2 h PRO 49 Cb 1.12 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3ie2 h PRO 49 CO 0.78 0.54 0.09 0.87 -0.23 0.00 0.00 178.00 180.04 3ie2 h LYS 50 N 0.83 0.00 -0.49 0.86 1.57 -1.86 0.30 116.57 117.78 3ie2 h LYS 50 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3ie2 h LYS 50 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3ie2 h LYS 50 CO -0.12 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.15 3ie2 n GLU 51 N -2.45 2.40 -3.22 3.15 -0.58 -0.60 -4.91 120.64 114.44 3ie2 n GLU 51 Ca -0.02 -2.15 -0.37 0.00 -0.42 0.00 0.00 57.16 54.19 3ie2 n GLU 51 Cb 0.13 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.45 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 -1.35 4.68 -0.08 2.62 1.01 0.10 -4.62 120.40 122.77 3ie2 s VAL 52 Ca 0.40 1.21 0.20 0.00 0.00 0.00 0.00 61.98 63.79 3ie2 s VAL 52 Cb 0.22 -3.88 -0.30 0.00 0.00 0.00 0.00 36.38 32.41 3ie2 s VAL 52 CO 0.30 0.41 0.34 0.47 0.00 0.00 0.00 175.10 176.61 3ie2 n ASP 53 N 1.29 0.16 -3.61 3.32 8.00 0.35 -4.85 116.55 121.21 3ie2 n ASP 53 Ca -0.07 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.39 3ie2 n ASP 53 Cb 0.51 1.65 -0.02 0.00 -0.02 0.00 0.00 41.12 43.24 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 -3.15 -2.12 0.01 2.24 0.00 -1.20 -4.45 121.76 113.09 3ie2 s ALA 54 Ca -0.08 1.71 0.01 0.00 0.00 0.00 0.00 51.96 53.60 3ie2 s ALA 54 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.00 3ie2 s ALA 54 CO 0.86 -0.58 -0.04 0.54 0.00 0.00 0.00 175.76 176.54 3ie2 s VAL 55 N -2.28 0.23 -0.11 0.00 0.11 -1.02 -0.95 120.40 116.38 3ie2 s VAL 55 Ca 0.10 -0.53 0.04 0.00 -2.93 0.00 0.00 61.98 58.66 3ie2 s VAL 55 Cb -0.01 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 3ie2 s VAL 55 CO -0.04 -0.20 -0.23 -0.76 -3.33 0.00 0.00 175.10 170.54 3ie2 s LEU 56 N -0.77 2.07 -0.22 2.54 1.02 0.43 -0.30 118.68 123.45 3ie2 s LEU 56 Ca -0.06 -0.56 -0.08 0.00 0.02 0.00 0.00 54.13 53.45 3ie2 s LEU 56 Cb -0.05 -1.39 -0.04 0.00 0.02 0.00 0.00 46.19 44.73 3ie2 s LEU 56 CO -0.00 0.14 0.09 -0.76 0.02 0.00 0.00 176.35 175.84 3ie2 s LEU 57 N 0.45 3.75 0.13 1.79 1.02 -0.41 -0.13 118.68 125.27 3ie2 s LEU 57 Ca -0.16 -0.02 -0.13 0.00 0.02 0.00 0.00 54.13 53.83 3ie2 s LEU 57 Cb -0.17 -1.98 -0.02 0.00 0.02 0.00 0.00 46.19 44.03 3ie2 s LEU 57 CO 0.07 0.07 1.53 0.71 0.02 0.00 0.00 176.35 178.74 3ie2 h THR 58 N 5.16 1.28 -2.69 5.49 1.35 -1.87 -3.43 112.91 118.20 3ie2 h THR 58 Ca -0.37 -1.25 0.10 0.00 -0.55 0.00 0.00 66.41 64.35 3ie2 h THR 58 Cb 1.17 1.23 -0.04 0.00 -1.73 0.00 0.00 68.15 68.78 3ie2 h THR 58 CO 0.64 0.42 0.40 -1.38 -0.25 0.00 0.00 175.52 175.35 3ie2 s HIS 59 N -4.73 -0.04 0.50 4.73 -3.43 -1.26 -2.31 115.29 108.74 3ie2 s HIS 59 Ca -0.12 -0.42 0.31 0.00 -0.80 0.00 0.00 55.06 54.03 3ie2 s HIS 59 Cb 0.10 0.72 1.71 0.00 -1.43 0.00 0.00 32.58 33.69 3ie2 s HIS 59 CO 0.83 -1.12 2.17 0.00 -2.00 0.00 0.00 174.74 174.62 3ie2 h ALA 60 N 2.00 1.31 -1.55 -1.38 0.00 -1.89 -3.41 119.26 114.35 3ie2 h ALA 60 Ca -0.26 -0.05 -0.73 0.00 0.00 0.00 0.00 54.91 53.87 3ie2 h ALA 60 Cb 1.24 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 19.05 3ie2 h ALA 60 CO 0.31 0.07 0.72 0.72 0.00 0.00 0.00 179.25 181.08 3ie2 n HIS 61 N -3.61 1.83 -0.20 0.00 8.25 -1.26 -4.71 115.22 115.51 3ie2 n HIS 61 Ca -0.02 0.61 0.30 0.00 -0.26 0.00 0.00 57.72 58.34 3ie2 n HIS 61 Cb 0.16 -2.40 0.73 0.00 1.12 0.00 0.00 29.99 29.61 3ie2 n HIS 61 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3ie2 h LEU 62 N 6.14 0.00 -0.03 2.41 5.85 -1.94 0.31 115.31 128.05 3ie2 h LEU 62 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3ie2 h LEU 62 Cb 1.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3ie2 h LEU 62 CO 0.89 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 178.09 3ie2 n ASP 63 N -4.21 0.03 0.00 1.25 5.75 -1.26 0.21 116.55 118.32 3ie2 n ASP 63 Ca 0.20 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 3ie2 n ASP 63 Cb 1.02 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 41.09 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 -0.48 0.00 0.00 2.11 8.25 0.10 -3.77 115.22 121.43 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 0.01 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3ie2 n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ie2 n VAL 65 N -0.05 0.00 -0.03 1.59 0.31 -0.85 -1.17 118.33 118.12 3ie2 n VAL 65 Ca 0.00 -0.07 -0.01 0.00 -0.01 0.00 0.00 64.34 64.26 3ie2 n VAL 65 Cb 0.00 0.45 -0.01 0.00 -0.91 0.00 0.00 33.84 33.37 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 1.26 -1.13 0.00 2.92 0.00 0.57 -0.55 105.19 108.27 3ie2 n GLY 66 Ca 0.00 0.26 0.11 0.00 0.00 0.00 0.00 46.02 46.39 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 -2.78 0.51 -0.17 1.61 1.74 0.58 -4.23 116.66 113.94 3ie2 n ARG 67 Ca 0.00 0.04 -0.04 0.00 -0.77 0.00 0.00 57.85 57.08 3ie2 n ARG 67 Cb 0.02 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 29.98 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 0.00 -0.78 0.00 0.55 5.85 -0.40 0.37 115.31 120.90 3ie2 h LEU 68 Ca 0.00 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.90 3ie2 h LEU 68 Cb 0.09 0.43 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3ie2 h LEU 68 CO 0.00 -0.25 0.00 -0.81 -0.34 0.00 0.00 178.44 177.04 3ie2 n PRO 69 N -5.41 0.02 0.05 5.25 -0.04 -1.26 -1.48 135.00 132.12 3ie2 n PRO 69 Ca 0.04 0.36 -0.18 0.00 -0.04 0.00 0.00 63.50 63.69 3ie2 n PRO 69 Cb 0.32 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.14 3ie2 n PRO 69 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3ie2 h LYS 70 N 0.00 0.25 -0.35 0.54 3.64 -0.57 -2.66 116.57 117.43 3ie2 h LYS 70 Ca 0.00 -0.43 0.03 0.00 -1.27 0.00 0.00 60.65 58.97 3ie2 h LYS 70 Cb 0.08 0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3ie2 h LYS 70 CO 0.00 1.10 0.17 1.25 -2.27 0.00 0.00 179.45 179.70 3ie2 h LEU 71 N 0.07 0.25 -1.06 5.20 5.85 -0.78 0.16 115.31 125.00 3ie2 h LEU 71 Ca -0.30 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 3ie2 h LEU 71 Cb 2.03 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 43.03 3ie2 h LEU 71 CO 0.14 0.18 -0.27 -0.26 -0.34 0.00 0.00 178.44 177.90 3ie2 h PHE 72 N 0.35 0.00 -0.34 1.25 -1.00 -1.64 -2.03 116.94 113.54 3ie2 h PHE 72 Ca 0.15 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.82 3ie2 h PHE 72 Cb 0.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 3ie2 h PHE 72 CO -0.10 0.27 -0.24 -0.09 -1.61 0.00 0.00 178.31 176.53 3ie2 h ARG 73 N 0.00 0.67 -1.00 1.51 2.43 -0.71 -3.09 114.38 114.18 3ie2 h ARG 73 Ca -0.00 -0.27 -0.38 0.00 -0.81 0.00 0.00 59.98 58.51 3ie2 h ARG 73 Cb 0.79 -0.03 -0.23 0.00 -0.42 0.00 0.00 29.97 30.08 3ie2 h ARG 73 CO 0.03 0.85 0.49 0.39 -1.51 0.00 0.00 179.97 180.22 3ie2 n GLU 74 N -4.11 1.92 0.00 0.20 1.02 0.40 -4.91 120.64 115.16 3ie2 n GLU 74 Ca -0.00 -2.22 0.00 0.00 -0.02 0.00 0.00 57.16 54.92 3ie2 n GLU 74 Cb 0.43 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 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 -0.72 2.68 3.73 0.62 0.00 -1.17 -4.59 105.19 105.74 3ie2 n GLY 75 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.05 3ie2 n GLY 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ie2 s TYR 76 N -2.72 3.16 -0.26 1.61 6.14 -0.81 -4.76 117.35 119.71 3ie2 s TYR 76 Ca 0.00 0.96 0.21 0.00 0.64 0.00 0.00 57.07 58.87 3ie2 s TYR 76 Cb 0.00 -3.75 0.50 0.00 0.42 0.00 0.00 41.96 39.14 3ie2 s TYR 76 CO 0.00 -2.55 1.12 0.54 0.64 0.00 0.00 175.55 175.31 3ie2 n ARG 77 N 3.32 1.98 -3.16 4.97 5.12 -1.26 -4.26 116.66 123.37 3ie2 n ARG 77 Ca 0.10 -3.58 -0.19 0.00 -1.93 0.00 0.00 57.85 52.25 3ie2 n ARG 77 Cb 0.41 -1.68 0.03 0.00 -1.16 0.00 0.00 32.46 30.06 3ie2 n ARG 77 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3ie2 s GLY 78 N -3.74 1.91 0.54 -0.13 0.00 -1.26 -5.11 107.32 99.54 3ie2 s GLY 78 Ca 0.31 -1.87 -0.16 0.00 0.00 0.00 0.00 44.72 43.00 3ie2 s GLY 78 CO -0.03 -1.64 1.01 2.56 0.00 0.00 0.00 173.10 174.99 3ie2 s PRO 79 N -4.46 3.77 -0.19 2.90 0.04 -1.26 -4.91 135.00 130.89 3ie2 s PRO 79 Ca 0.55 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.59 3ie2 s PRO 79 Cb -0.07 -2.11 0.04 0.00 0.04 0.00 0.00 34.50 32.41 3ie2 s PRO 79 CO 0.34 -0.42 -0.07 0.08 0.04 0.00 0.00 177.00 176.97 3ie2 s VAL 80 N -2.63 1.36 -0.12 -0.36 1.01 -0.23 -2.44 120.40 117.00 3ie2 s VAL 80 Ca 0.60 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 3ie2 s VAL 80 Cb -0.11 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 3ie2 s VAL 80 CO 0.34 0.11 0.24 -0.31 0.00 0.00 0.00 175.10 175.47 3ie2 s TYR 81 N 1.51 3.56 0.12 5.22 1.51 0.59 -0.15 117.35 129.71 3ie2 s TYR 81 Ca -0.01 0.61 -0.26 0.00 -1.01 0.00 0.00 57.07 56.41 3ie2 s TYR 81 Cb -0.16 -2.16 0.07 0.00 -0.11 0.00 0.00 41.96 39.60 3ie2 s TYR 81 CO -0.08 0.51 0.91 0.00 -1.11 0.00 0.00 175.55 175.78 3ie2 s ALA 82 N -0.40 -1.66 0.83 3.71 0.00 -1.04 -1.28 121.76 121.93 3ie2 s ALA 82 Ca 0.16 0.33 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 3ie2 s ALA 82 Cb -0.13 0.61 0.09 0.00 0.00 0.00 0.00 23.12 23.70 3ie2 s ALA 82 CO 0.05 -0.94 1.11 0.95 0.00 0.00 0.00 175.76 176.93 3ie2 s THR 83 N -3.32 2.81 0.20 0.00 -4.23 -1.20 -0.93 115.64 108.97 3ie2 s THR 83 Ca 0.10 0.26 -0.11 0.00 -1.18 0.00 0.00 61.69 60.77 3ie2 s THR 83 Cb -0.02 -2.57 0.12 0.00 1.34 0.00 0.00 72.50 71.38 3ie2 s THR 83 CO -0.01 -0.34 1.76 0.03 -0.54 0.00 0.00 174.62 175.51 3ie2 h ARG 84 N -1.44 0.42 -0.00 3.99 -0.00 -1.94 -1.07 114.38 114.34 3ie2 h ARG 84 Ca -0.44 -0.03 0.03 0.00 -0.50 0.00 0.00 59.98 59.05 3ie2 h ARG 84 Cb 1.25 -0.10 -0.05 0.00 0.00 0.00 0.00 29.97 31.07 3ie2 h ARG 84 CO 0.48 0.28 -0.38 0.00 0.00 0.00 0.00 179.97 180.35 3ie2 h ALA 85 N 1.37 -0.58 -0.81 0.04 0.00 -1.91 0.15 119.26 117.52 3ie2 h ALA 85 Ca 0.28 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.25 3ie2 h ALA 85 Cb 0.30 0.67 -0.07 0.00 0.00 0.00 0.00 17.79 18.69 3ie2 h ALA 85 CO -0.26 -0.90 0.47 1.15 0.00 0.00 0.00 179.25 179.70 3ie2 h THR 86 N -0.53 0.92 -0.32 0.00 2.02 -1.63 0.34 112.91 113.72 3ie2 h THR 86 Ca 0.05 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3ie2 h THR 86 Cb 0.62 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3ie2 h THR 86 CO -0.30 0.15 0.20 0.58 0.37 0.00 0.00 175.52 176.51 3ie2 h VAL 87 N 0.80 1.11 -0.28 3.16 2.07 -0.15 0.78 116.25 123.74 3ie2 h VAL 87 Ca 0.39 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.59 3ie2 h VAL 87 Cb 0.33 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3ie2 h VAL 87 CO -0.24 0.11 -0.12 -0.07 0.02 0.00 0.00 177.57 177.27 3ie2 h LEU 88 N 0.41 0.59 -0.67 2.57 3.38 -0.09 -3.11 115.31 118.39 3ie2 h LEU 88 Ca 0.11 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.70 3ie2 h LEU 88 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3ie2 h LEU 88 CO -0.02 0.85 0.44 -0.07 0.09 0.00 0.00 178.44 179.73 3ie2 h LEU 89 N 0.31 0.75 0.17 1.67 3.38 -0.15 -3.08 115.31 118.36 3ie2 h LEU 89 Ca 0.06 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3ie2 h LEU 89 Cb 0.63 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 3ie2 h LEU 89 CO 0.04 0.54 -0.26 0.24 0.09 0.00 0.00 178.44 179.09 3ie2 h MET 90 N 0.89 -0.47 -0.69 1.13 2.86 -0.84 -1.86 114.93 115.94 3ie2 h MET 90 Ca 0.25 0.03 0.17 0.00 -2.06 0.00 0.00 59.70 58.10 3ie2 h MET 90 Cb -0.08 0.11 -0.13 0.00 0.06 0.00 0.00 31.60 31.56 3ie2 h MET 90 CO -0.06 -0.32 -0.04 -1.91 1.06 0.00 0.00 176.91 175.64 3ie2 n GLU 91 N -5.37 -0.06 0.13 1.72 2.13 -1.16 0.71 120.64 118.74 3ie2 n GLU 91 Ca -0.07 1.05 -0.06 0.00 0.66 0.00 0.00 57.16 58.73 3ie2 n GLU 91 Cb 0.28 -1.63 -0.03 0.00 0.27 0.00 0.00 31.44 30.33 3ie2 n GLU 91 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 3ie2 h ILE 92 N 0.00 0.00 -0.88 6.31 2.04 -1.53 -2.07 117.51 121.38 3ie2 h ILE 92 Ca 0.39 -0.43 0.22 0.00 1.00 0.00 0.00 64.86 66.04 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 -0.67 0.00 -0.01 0.58 0.00 0.00 0.00 178.15 178.05 3ie2 h VAL 93 N -0.83 0.17 0.15 1.67 2.07 0.11 0.76 116.25 120.35 3ie2 h VAL 93 Ca -0.04 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3ie2 h VAL 93 Cb 0.30 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3ie2 h VAL 93 CO 0.07 0.01 -0.07 -0.07 0.02 0.00 0.00 177.57 177.53 3ie2 h LEU 94 N 0.06 -0.17 -1.10 2.57 4.07 0.17 -1.49 115.31 119.43 3ie2 h LEU 94 Ca 0.50 -0.37 0.24 0.00 0.08 0.00 0.00 57.88 58.33 3ie2 h LEU 94 Cb 0.93 0.04 -0.11 0.00 1.08 0.00 0.00 40.66 42.60 3ie2 h LEU 94 CO -0.81 0.38 0.62 -0.33 -1.08 0.00 0.00 178.44 177.22 3ie2 h GLU 95 N -0.82 0.55 0.35 1.13 4.39 -0.84 -0.92 114.58 118.42 3ie2 h GLU 95 Ca -0.02 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3ie2 h GLU 95 Cb 0.53 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3ie2 h GLU 95 CO 0.03 0.36 -0.17 0.22 -1.16 0.00 0.00 179.01 178.30 3ie2 h ASP 96 N 0.56 -0.40 0.00 1.42 1.82 -0.87 -2.93 116.42 116.02 3ie2 h ASP 96 Ca 0.62 -0.16 0.00 0.00 -0.39 0.00 0.00 57.03 57.11 3ie2 h ASP 96 Cb 1.25 0.10 0.00 0.00 0.68 0.00 0.00 39.33 41.36 3ie2 h ASP 96 CO -0.42 0.01 0.28 0.00 -1.61 0.00 0.00 179.24 177.50 3ie2 h ALA 97 N -0.50 1.26 0.03 -0.78 0.00 -0.39 -1.92 119.26 116.96 3ie2 h ALA 97 Ca -0.05 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3ie2 h ALA 97 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3ie2 h ALA 97 CO 0.08 -0.26 -0.01 1.25 0.00 0.00 0.00 179.25 180.31 3ie2 h LEU 98 N 0.00 -0.03 0.30 0.00 6.46 -1.02 -3.28 115.31 117.73 3ie2 h LEU 98 Ca 0.00 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.76 3ie2 h LEU 98 Cb 0.55 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.47 3ie2 h LEU 98 CO 0.00 -0.01 -0.42 0.11 -0.62 0.00 0.00 178.44 177.50 3ie2 h LYS 99 N -0.07 -0.72 -2.27 1.25 1.57 -1.35 -2.67 116.57 112.31 3ie2 h LYS 99 Ca -0.00 0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 3ie2 h LYS 99 Cb 0.03 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3ie2 h LYS 99 CO 0.01 -0.48 -0.07 0.28 -0.57 0.00 0.00 179.45 178.62 3ie2 n VAL 100 N -4.90 1.83 -3.95 0.50 0.31 -0.77 -4.71 118.33 106.64 3ie2 n VAL 100 Ca -0.09 -0.85 -0.30 0.00 -0.01 0.00 0.00 64.34 63.09 3ie2 n VAL 100 Cb 0.36 -1.72 -0.16 0.00 -0.91 0.00 0.00 33.84 31.41 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 1.48 1.66 0.00 5.55 0.00 -1.01 -4.86 119.30 122.12 3ie2 s MET 101 Ca 0.35 -0.98 0.00 0.00 0.00 0.00 0.00 55.69 55.06 3ie2 s MET 101 Cb 0.17 -2.57 0.00 0.00 0.00 0.00 0.00 34.83 32.42 3ie2 s MET 101 CO 0.00 -0.58 0.24 -0.40 0.00 0.00 0.00 175.02 174.27 3ie2 n ASP 102 N 4.67 0.00 -4.37 1.11 5.75 -1.26 -4.31 116.55 118.14 3ie2 n ASP 102 Ca -0.12 0.24 -0.46 0.00 -0.01 0.00 0.00 54.79 54.44 3ie2 n ASP 102 Cb 0.44 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.50 3ie2 n ASP 102 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ie2 s GLU 103 N -0.48 3.47 0.57 0.11 2.02 -1.26 -5.04 118.70 118.09 3ie2 s GLU 103 Ca 0.00 -2.01 -0.14 0.00 0.02 0.00 0.00 54.97 52.84 3ie2 s GLU 103 Cb 0.00 -4.54 -0.05 0.00 0.10 0.00 0.00 34.13 29.64 3ie2 s GLU 103 CO 0.00 -1.48 1.02 -1.25 0.02 0.00 0.00 175.26 173.56 3ie2 s PRO 104 N 1.45 3.66 0.00 0.39 0.04 -1.26 -4.98 135.00 134.30 3ie2 s PRO 104 Ca 0.20 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.18 3ie2 s PRO 104 Cb -0.12 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.33 3ie2 s PRO 104 CO -0.06 -0.52 0.49 1.97 0.04 0.00 0.00 177.00 178.93 3ie2 n PHE 105 N -2.12 0.00 -3.71 0.56 1.16 -1.26 -5.02 117.46 107.07 3ie2 n PHE 105 Ca 0.07 -0.11 -0.11 0.00 -1.87 0.00 0.00 57.45 55.42 3ie2 n PHE 105 Cb 0.54 -0.01 -0.11 0.00 -1.61 0.00 0.00 39.48 38.29 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 -0.22 -0.53 0.67 2.97 -0.71 -1.26 -4.90 117.98 114.00 3ie2 s PHE 106 Ca 0.00 1.17 0.00 0.00 -1.04 0.00 0.00 56.93 57.06 3ie2 s PHE 106 Cb 0.00 0.21 0.10 0.00 -1.21 0.00 0.00 43.02 42.13 3ie2 s PHE 106 CO 0.00 -0.30 0.93 0.20 -1.34 0.00 0.00 175.22 174.72 3ie2 s GLY 107 N 1.08 1.77 0.48 1.99 0.00 -1.26 -4.91 107.32 106.47 3ie2 s GLY 107 Ca -0.07 -1.68 0.14 0.00 0.00 0.00 0.00 44.72 43.11 3ie2 s GLY 107 CO -0.09 -1.18 2.11 -0.56 0.00 0.00 0.00 173.10 173.38 3ie2 h PRO 108 N -0.35 0.14 -1.00 2.90 0.13 -1.99 -2.30 132.00 129.53 3ie2 h PRO 108 Ca -0.37 -0.01 0.20 0.00 -0.87 0.00 0.00 66.00 64.95 3ie2 h PRO 108 Cb 1.28 -0.03 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 3ie2 h PRO 108 CO 0.43 0.11 0.61 1.05 -0.23 0.00 0.00 178.00 179.97 3ie2 h GLU 109 N 0.14 0.68 0.07 0.86 4.11 -2.00 -2.42 114.58 116.02 3ie2 h GLU 109 Ca 0.04 -0.04 -0.20 0.00 0.07 0.00 0.00 59.36 59.23 3ie2 h GLU 109 Cb 0.02 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3ie2 h GLU 109 CO -0.01 0.45 -1.03 -0.44 0.07 0.00 0.00 179.01 178.05 3ie2 h ASP 110 N 0.70 0.22 -1.14 3.06 3.32 -1.73 -3.23 116.42 117.63 3ie2 h ASP 110 Ca 0.57 -0.81 0.42 0.00 0.02 0.00 0.00 57.03 57.23 3ie2 h ASP 110 Cb 0.98 -0.07 -0.16 0.00 0.22 0.00 0.00 39.33 40.30 3ie2 h ASP 110 CO -0.36 1.44 0.67 0.58 -1.72 0.00 0.00 179.24 179.86 3ie2 h VAL 111 N -0.61 0.07 0.11 -1.35 2.07 -1.01 0.27 116.25 115.80 3ie2 h VAL 111 Ca -0.24 -0.02 -0.33 0.00 0.82 0.00 0.00 66.70 66.93 3ie2 h VAL 111 Cb 1.49 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3ie2 h VAL 111 CO -0.01 0.01 -1.76 1.05 0.02 0.00 0.00 177.57 176.89 3ie2 h GLU 112 N 0.07 0.24 -1.00 1.57 4.11 -1.64 -3.12 114.58 114.82 3ie2 h GLU 112 Ca 0.83 -0.41 0.28 0.00 0.07 0.00 0.00 59.36 60.13 3ie2 h GLU 112 Cb 2.34 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 31.69 3ie2 h GLU 112 CO -0.61 1.08 0.70 1.49 0.07 0.00 0.00 179.01 181.74 3ie2 h GLU 113 N 0.07 0.10 0.39 1.06 4.57 -0.52 1.00 114.58 121.24 3ie2 h GLU 113 Ca -0.33 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.83 3ie2 h GLU 113 Cb 2.04 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.61 3ie2 h GLU 113 CO 0.13 0.06 -0.19 0.00 -1.18 0.00 0.00 179.01 177.84 3ie2 h ALA 114 N 1.53 -0.56 -0.92 2.92 0.00 -1.34 -3.17 119.26 117.71 3ie2 h ALA 114 Ca 0.49 -0.11 0.24 0.00 0.00 0.00 0.00 54.91 55.53 3ie2 h ALA 114 Cb 1.78 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 19.64 3ie2 h ALA 114 CO -0.07 -0.53 0.42 -0.07 0.00 0.00 0.00 179.25 179.01 3ie2 h LEU 115 N -1.03 0.36 0.00 0.00 3.38 -0.62 0.83 115.31 118.22 3ie2 h LEU 115 Ca -0.05 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ie2 h LEU 115 Cb 0.40 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3ie2 h LEU 115 CO 0.09 -0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.20 3ie2 n GLY 116 N -1.33 -0.59 0.00 0.83 0.00 0.32 -1.50 105.19 102.91 3ie2 n GLY 116 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.75 0.00 -2.63 1.61 8.25 0.29 -5.02 115.22 116.97 3ie2 n HIS 117 Ca 0.07 -0.42 -0.42 0.00 -0.26 0.00 0.00 57.72 56.69 3ie2 n HIS 117 Cb 0.03 -0.04 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 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 -0.84 4.32 -0.09 2.41 1.43 -0.56 -1.07 118.68 124.28 3ie2 s LEU 118 Ca 0.00 1.70 0.03 0.00 -1.03 0.00 0.00 54.13 54.82 3ie2 s LEU 118 Cb 0.00 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.66 3ie2 s LEU 118 CO 0.00 -0.39 -0.18 -0.13 0.23 0.00 0.00 176.35 175.88 3ie2 s ARG 119 N 1.48 2.41 0.39 1.70 1.81 0.78 -4.91 118.95 122.61 3ie2 s ARG 119 Ca 0.52 -0.65 -0.27 0.00 -1.72 0.00 0.00 55.73 53.62 3ie2 s ARG 119 Cb -0.22 -1.92 -0.09 0.00 -0.45 0.00 0.00 34.95 32.27 3ie2 s ARG 119 CO 0.24 0.06 1.29 -1.25 -0.68 0.00 0.00 175.30 174.96 3ie2 s PRO 120 N 0.63 4.06 -0.26 3.54 0.04 -1.26 -2.49 135.00 139.27 3ie2 s PRO 120 Ca -0.14 2.14 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 3ie2 s PRO 120 Cb -0.16 -2.82 0.15 0.00 0.04 0.00 0.00 34.50 31.70 3ie2 s PRO 120 CO 0.04 -0.41 0.42 -1.17 0.04 0.00 0.00 177.00 175.92 3ie2 s LEU 121 N -2.29 -0.78 0.00 -3.56 2.96 -0.11 -4.81 118.68 110.08 3ie2 s LEU 121 Ca 0.55 0.29 -0.02 0.00 -0.22 0.00 0.00 54.13 54.73 3ie2 s LEU 121 Cb -0.38 1.30 0.09 0.00 0.50 0.00 0.00 46.19 47.70 3ie2 s LEU 121 CO 0.49 -0.30 0.56 -0.62 -1.32 0.00 0.00 176.35 175.16 3ie2 n GLU 122 N 5.38 0.01 -2.47 1.98 -0.58 -1.26 -3.25 120.64 120.45 3ie2 n GLU 122 Ca -0.03 -1.33 -0.42 0.00 -0.42 0.00 0.00 57.16 54.96 3ie2 n GLU 122 Cb 0.50 -0.44 -0.03 0.00 -0.57 0.00 0.00 31.44 30.91 3ie2 n GLU 122 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3ie2 s TYR 123 N -1.75 3.39 0.00 -0.32 2.02 -1.26 -3.13 117.35 116.30 3ie2 s TYR 123 Ca 0.36 1.32 0.00 0.00 -0.37 0.00 0.00 57.07 58.38 3ie2 s TYR 123 Cb -0.02 -3.39 0.00 0.00 -0.40 0.00 0.00 41.96 38.16 3ie2 s TYR 123 CO 0.24 -1.15 0.00 0.41 -1.57 0.00 0.00 175.55 173.48 3ie2 n GLY 124 N 3.23 0.62 3.30 0.71 0.00 -1.24 -5.00 105.19 106.81 3ie2 n GLY 124 Ca 0.09 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.11 3.35 -0.11 1.61 2.02 -1.18 -5.06 118.70 118.21 3ie2 s GLU 125 Ca 0.00 -0.65 -0.20 0.00 0.02 0.00 0.00 54.97 54.14 3ie2 s GLU 125 Cb 0.00 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.18 3ie2 s GLU 125 CO 0.00 -0.21 0.57 -1.58 0.02 0.00 0.00 175.26 174.06 3ie2 s TRP 126 N 1.47 3.52 -0.02 1.61 0.52 -1.26 -4.47 118.94 120.32 3ie2 s TRP 126 Ca 0.06 1.02 -0.07 0.00 0.02 0.00 0.00 56.10 57.13 3ie2 s TRP 126 Cb -0.14 -2.66 -0.05 0.00 -1.15 0.00 0.00 33.47 29.47 3ie2 s TRP 126 CO -0.03 0.11 0.24 -1.17 0.02 0.00 0.00 176.95 176.12 3ie2 s LEU 127 N 0.80 4.38 -0.10 2.99 2.96 0.85 -4.92 118.68 125.64 3ie2 s LEU 127 Ca 0.30 0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 54.75 3ie2 s LEU 127 Cb -0.16 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.01 3ie2 s LEU 127 CO 0.13 0.29 -0.08 -0.13 -1.32 0.00 0.00 176.35 175.24 3ie2 s ARG 128 N -1.59 1.47 -0.24 1.98 1.81 -1.26 -1.56 118.95 119.57 3ie2 s ARG 128 Ca 0.25 -0.25 -0.01 0.00 -1.72 0.00 0.00 55.73 53.99 3ie2 s ARG 128 Cb -0.13 -1.50 0.07 0.00 -0.45 0.00 0.00 34.95 32.94 3ie2 s ARG 128 CO 0.14 -0.22 0.04 -0.51 -0.68 0.00 0.00 175.30 174.07 3ie2 s LEU 129 N 1.54 1.78 0.00 2.53 1.43 -0.90 -5.01 118.68 120.06 3ie2 s LEU 129 Ca 0.01 -1.14 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 3ie2 s LEU 129 Cb -0.13 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.29 3ie2 s LEU 129 CO -0.06 -0.33 0.00 0.61 0.23 0.00 0.00 176.35 176.81 3ie2 n GLY 130 N 4.91 3.26 0.73 -3.19 0.00 -1.26 -0.65 105.19 108.99 3ie2 n GLY 130 Ca -0.07 -0.23 0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 10.67 2.46 -2.23 4.61 0.00 -1.26 -4.91 120.51 129.85 3ie2 n ALA 131 Ca 0.00 -0.68 -0.38 0.00 0.00 0.00 0.00 53.44 52.38 3ie2 n ALA 131 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.27 4.49 0.01 0.00 2.96 0.17 -4.47 118.68 120.57 3ie2 s LEU 132 Ca 0.31 1.30 0.08 0.00 -0.22 0.00 0.00 54.13 55.60 3ie2 s LEU 132 Cb 0.17 -3.07 -0.02 0.00 0.50 0.00 0.00 46.19 43.77 3ie2 s LEU 132 CO 0.23 0.22 -0.25 -0.44 -1.32 0.00 0.00 176.35 174.79 3ie2 s SER 133 N -1.26 2.93 -0.06 3.68 0.01 -0.29 -2.11 113.70 116.60 3ie2 s SER 133 Ca 0.32 -0.49 -0.05 0.00 1.31 0.00 0.00 55.95 57.04 3ie2 s SER 133 Cb -0.19 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 65.76 3ie2 s SER 133 CO 0.20 0.28 0.15 -0.76 0.41 0.00 0.00 173.24 173.52 3ie2 s LEU 134 N -0.83 1.30 0.09 2.44 1.43 -0.60 -0.96 118.68 121.55 3ie2 s LEU 134 Ca 0.10 0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 53.42 3ie2 s LEU 134 Cb -0.10 0.49 -0.00 0.00 0.03 0.00 0.00 46.19 46.62 3ie2 s LEU 134 CO 0.00 -0.07 0.20 0.00 0.23 0.00 0.00 176.35 176.71 3ie2 s ALA 135 N 0.28 -0.24 -0.09 4.21 0.00 -1.07 -0.11 121.76 124.73 3ie2 s ALA 135 Ca -0.02 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.29 3ie2 s ALA 135 Cb -0.03 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 3ie2 s ALA 135 CO -0.01 -0.51 0.11 -0.06 0.00 0.00 0.00 175.76 175.28 3ie2 s PHE 136 N -3.86 3.47 0.10 0.00 0.08 -1.26 -1.79 117.98 114.72 3ie2 s PHE 136 Ca 0.05 0.41 0.09 0.00 0.12 0.00 0.00 56.93 57.60 3ie2 s PHE 136 Cb 0.05 -1.88 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 3ie2 s PHE 136 CO -0.11 0.65 -0.20 0.20 -0.10 0.00 0.00 175.22 175.66 3ie2 s GLY 137 N -1.14 1.63 -0.12 4.36 0.00 -0.15 -3.64 107.32 108.26 3ie2 s GLY 137 Ca 0.16 -1.34 -0.29 0.00 0.00 0.00 0.00 44.72 43.26 3ie2 s GLY 137 CO 0.06 -1.29 1.83 1.62 0.00 0.00 0.00 173.10 175.31 3ie2 s GLN 138 N -1.92 3.84 0.01 2.90 2.00 -1.26 -0.89 119.66 124.33 3ie2 s GLN 138 Ca 0.16 2.08 0.22 0.00 -2.00 0.00 0.00 55.36 55.82 3ie2 s GLN 138 Cb -0.10 -4.12 -0.19 0.00 0.80 0.00 0.00 33.01 29.40 3ie2 s GLN 138 CO 0.08 -1.27 0.77 0.00 -0.50 0.00 0.00 175.29 174.37 3ie2 n ALA 139 N 8.56 3.49 -4.15 1.58 0.00 -1.15 0.20 120.51 129.04 3ie2 n ALA 139 Ca 0.21 -0.50 -0.29 0.00 0.00 0.00 0.00 53.44 52.86 3ie2 n ALA 139 Cb 0.44 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 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 1.35 -0.20 0.02 0.00 0.00 -1.26 -1.63 105.19 103.48 3ie2 n GLY 140 Ca -0.00 0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.47 0.00 -3.63 1.61 -0.00 -1.26 -3.85 115.22 103.62 3ie2 n HIS 141 Ca -0.28 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.36 3ie2 n HIS 141 Cb 0.67 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.99 30.38 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 -4.22 -0.37 0.08 0.27 1.43 -1.26 -4.93 118.68 109.67 3ie2 s LEU 142 Ca -0.03 -0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 52.50 3ie2 s LEU 142 Cb 0.02 2.48 -0.09 0.00 0.03 0.00 0.00 46.19 48.63 3ie2 s LEU 142 CO 0.24 -1.03 1.82 -2.84 0.23 0.00 0.00 176.35 174.78 3ie2 s PRO 143 N -3.64 4.15 -0.12 1.29 0.02 -1.26 -0.80 135.00 134.65 3ie2 s PRO 143 Ca 0.07 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.61 3ie2 s PRO 143 Cb -0.03 -3.79 0.00 0.00 0.02 0.00 0.00 34.50 30.71 3ie2 s PRO 143 CO -0.03 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.19 3ie2 n GLY 144 N 4.27 0.48 3.81 0.52 0.00 -1.26 -4.21 105.19 108.79 3ie2 n GLY 144 Ca 0.18 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.86 7.11 0.19 1.61 1.04 0.02 -4.50 113.70 116.31 3ie2 s SER 145 Ca 0.00 1.61 -0.21 0.00 0.48 0.00 0.00 55.95 57.83 3ie2 s SER 145 Cb 0.00 -2.49 0.05 0.00 0.10 0.00 0.00 66.02 63.67 3ie2 s SER 145 CO 0.00 -0.10 0.58 0.00 0.98 0.00 0.00 173.24 174.71 3ie2 s ALA 146 N -1.72 -1.32 0.35 5.32 0.00 -0.98 -2.93 121.76 120.49 3ie2 s ALA 146 Ca 0.50 0.14 0.08 0.00 0.00 0.00 0.00 51.96 52.68 3ie2 s ALA 146 Cb -0.15 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.79 3ie2 s ALA 146 CO 0.20 -0.81 0.22 -0.59 0.00 0.00 0.00 175.76 174.79 3ie2 s PHE 147 N -3.81 2.78 0.10 0.00 -0.71 -0.07 -4.62 117.98 111.64 3ie2 s PHE 147 Ca 0.05 -0.37 0.04 0.00 -1.04 0.00 0.00 56.93 55.60 3ie2 s PHE 147 Cb -0.02 -1.77 -0.04 0.00 -1.21 0.00 0.00 43.02 39.99 3ie2 s PHE 147 CO -0.07 0.23 0.09 0.08 -1.34 0.00 0.00 175.22 174.21 3ie2 s VAL 148 N -2.39 4.51 -0.34 -2.49 1.01 -1.02 -0.97 120.40 118.70 3ie2 s VAL 148 Ca 0.40 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 3ie2 s VAL 148 Cb -0.03 -3.21 0.11 0.00 0.00 0.00 0.00 36.38 33.25 3ie2 s VAL 148 CO 0.25 0.07 0.14 -0.69 0.00 0.00 0.00 175.10 174.86 3ie2 s VAL 149 N -1.48 0.90 -0.19 2.92 1.01 -0.74 -1.97 120.40 120.86 3ie2 s VAL 149 Ca 0.30 -1.67 -0.15 0.00 0.00 0.00 0.00 61.98 60.45 3ie2 s VAL 149 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 3ie2 s VAL 149 CO 0.22 -0.76 0.37 0.00 0.00 0.00 0.00 175.10 174.94 3ie2 s ALA 150 N 1.29 3.56 -0.21 5.51 0.00 -0.95 -2.61 121.76 128.35 3ie2 s ALA 150 Ca 0.12 -0.49 0.01 0.00 0.00 0.00 0.00 51.96 51.60 3ie2 s ALA 150 Cb -0.19 -2.57 0.05 0.00 0.00 0.00 0.00 23.12 20.40 3ie2 s ALA 150 CO -0.17 -0.18 -0.08 -1.14 0.00 0.00 0.00 175.76 174.18 3ie2 s GLN 151 N 1.06 1.86 0.04 0.00 -0.44 -0.14 -0.30 119.66 121.74 3ie2 s GLN 151 Ca 0.19 -0.90 -0.28 0.00 -2.50 0.00 0.00 55.36 51.87 3ie2 s GLN 151 Cb -0.14 -2.47 0.07 0.00 -1.64 0.00 0.00 33.01 28.82 3ie2 s GLN 151 CO 0.07 -0.49 0.65 0.20 0.50 0.00 0.00 175.29 176.21 3ie2 s GLY 152 N 1.40 -0.59 -1.24 2.59 0.00 -0.52 -1.14 107.32 107.81 3ie2 s GLY 152 Ca -0.03 0.97 -0.12 0.00 0.00 0.00 0.00 44.72 45.54 3ie2 s GLY 152 CO -0.07 0.63 0.66 1.18 0.00 0.00 0.00 173.10 175.50 3ie2 n GLU 153 N 0.38 -2.33 -0.92 2.90 1.02 -1.26 -1.09 120.64 119.35 3ie2 n GLU 153 Ca -0.18 0.46 -0.05 0.00 -0.02 0.00 0.00 57.16 57.36 3ie2 n GLU 153 Cb 0.60 -4.38 -0.02 0.00 -0.02 0.00 0.00 31.44 27.62 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 -1.76 0.51 3.14 0.62 0.00 -1.26 -4.92 105.19 101.51 3ie2 n GLY 154 Ca -0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.98 0.74 -0.18 1.61 0.52 -0.25 -5.14 118.95 114.26 3ie2 s ARG 155 Ca 0.00 -1.04 0.01 0.00 -0.52 0.00 0.00 55.73 54.18 3ie2 s ARG 155 Cb 0.00 -0.41 0.02 0.00 0.52 0.00 0.00 34.95 35.08 3ie2 s ARG 155 CO 0.00 0.06 -0.19 0.99 0.02 0.00 0.00 175.30 176.18 3ie2 s THR 156 N -2.23 2.11 0.28 0.02 2.01 -1.26 -1.44 115.64 115.13 3ie2 s THR 156 Ca 0.01 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.09 3ie2 s THR 156 Cb -0.04 -1.89 -0.04 0.00 0.01 0.00 0.00 72.50 70.54 3ie2 s THR 156 CO -0.01 0.54 0.47 -0.22 -0.69 0.00 0.00 174.62 174.71 3ie2 s LEU 157 N 1.29 4.13 -0.30 4.42 2.96 0.58 -1.58 118.68 130.19 3ie2 s LEU 157 Ca 0.05 0.41 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 3ie2 s LEU 157 Cb -0.13 -3.23 0.14 0.00 0.50 0.00 0.00 46.19 43.48 3ie2 s LEU 157 CO -0.12 -0.17 0.33 -0.69 -1.32 0.00 0.00 176.35 174.38 3ie2 s VAL 158 N -2.09 -0.46 0.60 1.68 1.01 -0.33 -2.24 120.40 118.57 3ie2 s VAL 158 Ca 0.39 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.80 3ie2 s VAL 158 Cb -0.10 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 3ie2 s VAL 158 CO 0.32 -0.43 0.97 -0.47 0.00 0.00 0.00 175.10 175.49 3ie2 s TYR 159 N 2.33 3.54 0.00 5.22 6.04 -0.83 -2.40 117.35 131.25 3ie2 s TYR 159 Ca 0.10 1.10 0.00 0.00 0.04 0.00 0.00 57.07 58.31 3ie2 s TYR 159 Cb -0.14 -2.67 0.00 0.00 -1.04 0.00 0.00 41.96 38.11 3ie2 s TYR 159 CO -0.30 -0.67 0.00 -1.13 -1.54 0.00 0.00 175.55 171.91 3ie2 n SER 160 N -2.66 1.81 0.00 4.32 3.41 -1.06 -2.45 113.62 116.99 3ie2 n SER 160 Ca 0.05 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 3ie2 n SER 160 Cb 0.55 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 3ie2 n SER 160 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ie2 n GLY 161 N 1.31 3.33 3.32 5.00 0.00 -1.26 -4.08 105.19 112.81 3ie2 n GLY 161 Ca 0.00 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 3ie2 n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ie2 s ASP 162 N -4.00 5.19 0.44 1.61 -0.00 -1.26 -4.34 116.67 114.31 3ie2 s ASP 162 Ca 0.00 -0.87 -0.24 0.00 -0.00 0.00 0.00 52.55 51.45 3ie2 s ASP 162 Cb 0.00 -1.88 -0.08 0.00 -0.00 0.00 0.00 42.92 40.97 3ie2 s ASP 162 CO 0.00 -0.24 1.19 -0.76 -0.00 0.00 0.00 175.17 175.35 3ie2 s LEU 163 N 1.47 4.07 0.46 1.23 2.01 -1.26 -4.51 118.68 122.15 3ie2 s LEU 163 Ca 0.01 2.37 0.07 0.00 0.01 0.00 0.00 54.13 56.58 3ie2 s LEU 163 Cb -0.18 -4.16 0.02 0.00 0.01 0.00 0.00 46.19 41.88 3ie2 s LEU 163 CO 0.03 -0.88 0.63 -0.83 1.01 0.00 0.00 176.35 176.31 3ie2 s GLY 164 N -1.23 1.91 -0.67 -3.19 0.00 -0.64 -2.10 107.32 101.39 3ie2 s GLY 164 Ca 0.62 -1.63 -0.25 0.00 0.00 0.00 0.00 44.72 43.46 3ie2 s GLY 164 CO 0.37 -1.41 1.09 0.21 0.00 0.00 0.00 173.10 173.37 3ie2 s ASN 165 N -4.39 6.21 0.00 1.64 3.04 -1.18 -3.63 114.94 116.63 3ie2 s ASN 165 Ca 0.56 -0.62 0.04 0.00 0.04 0.00 0.00 52.86 52.89 3ie2 s ASN 165 Cb -0.10 -2.48 0.21 0.00 -1.54 0.00 0.00 41.25 37.34 3ie2 s ASN 165 CO 0.35 -1.56 1.01 -2.11 -3.04 0.00 0.00 177.10 171.75 3ie2 n ARG 166 N 8.33 0.05 0.10 0.43 -4.01 -1.26 -2.69 116.66 117.61 3ie2 n ARG 166 Ca 0.00 0.29 0.07 0.00 -1.04 0.00 0.00 57.85 57.17 3ie2 n ARG 166 Cb 0.47 -1.50 0.00 0.00 -3.04 0.00 0.00 32.46 28.39 3ie2 n ARG 166 CO 0.00 0.00 0.00 0.93 -3.04 0.00 0.00 177.63 175.52 3ie2 h GLU 167 N 0.00 0.00 0.00 2.89 5.08 -1.97 -3.45 114.58 117.12 3ie2 h GLU 167 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3ie2 h GLU 167 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3ie2 h GLU 167 CO 0.00 0.15 0.00 1.63 -1.00 0.00 0.00 179.01 179.79 3ie2 n LYS 168 N -2.87 -1.49 0.00 2.33 5.02 -1.09 -4.81 118.16 115.24 3ie2 n LYS 168 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 3ie2 n LYS 168 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.67 3ie2 n LYS 168 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ie2 n ASP 169 N -2.81 3.89 0.04 4.39 10.43 -1.26 -4.89 116.55 126.34 3ie2 n ASP 169 Ca 0.00 -0.03 -0.08 0.00 2.57 0.00 0.00 54.79 57.25 3ie2 n ASP 169 Cb 0.00 0.84 -0.06 0.00 1.84 0.00 0.00 41.12 43.74 3ie2 n ASP 169 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3ie2 h VAL 170 N 0.00 0.57 -4.24 2.53 2.07 -1.96 -3.43 116.25 111.79 3ie2 h VAL 170 Ca 0.00 -1.14 -0.49 0.00 0.82 0.00 0.00 66.70 65.89 3ie2 h VAL 170 Cb 0.00 1.00 0.03 0.00 -1.52 0.00 0.00 31.29 30.81 3ie2 h VAL 170 CO 0.00 0.17 0.38 -0.76 0.02 0.00 0.00 177.57 177.38 3ie2 s LEU 171 N -8.80 3.46 0.59 2.57 2.01 -1.26 0.45 118.68 117.71 3ie2 s LEU 171 Ca -0.09 1.48 -0.12 0.00 0.01 0.00 0.00 54.13 55.40 3ie2 s LEU 171 Cb -0.00 -4.46 -0.05 0.00 0.01 0.00 0.00 46.19 41.69 3ie2 s LEU 171 CO 0.33 -0.70 1.02 -2.16 1.01 0.00 0.00 176.35 175.84 3ie2 s PRO 172 N -4.56 3.68 0.30 1.29 0.04 -1.26 -4.45 135.00 130.05 3ie2 s PRO 172 Ca 0.57 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 62.11 3ie2 s PRO 172 Cb -0.10 -2.10 -0.13 0.00 0.04 0.00 0.00 34.50 32.21 3ie2 s PRO 172 CO 0.41 -0.49 1.31 -0.25 0.04 0.00 0.00 177.00 178.02 3ie2 n ASP 173 N -2.46 2.63 -4.72 6.66 8.00 -1.26 -4.03 116.55 121.37 3ie2 n ASP 173 Ca 0.06 1.18 -0.33 0.00 0.71 0.00 0.00 54.79 56.41 3ie2 n ASP 173 Cb 0.54 -1.45 0.11 0.00 -0.02 0.00 0.00 41.12 40.30 3ie2 n ASP 173 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3ie2 s PRO 174 N -1.28 1.96 0.01 -0.24 0.02 -1.26 -4.60 135.00 129.61 3ie2 s PRO 174 Ca 0.61 1.60 -0.10 0.00 0.02 0.00 0.00 61.00 63.13 3ie2 s PRO 174 Cb -0.61 -1.83 -0.05 0.00 0.02 0.00 0.00 34.50 32.03 3ie2 s PRO 174 CO 0.57 -1.94 0.34 0.45 -0.33 0.00 0.00 177.00 176.10 3ie2 s SER 175 N -2.40 6.63 0.97 2.53 0.15 0.52 -4.95 113.70 117.16 3ie2 s SER 175 Ca 0.70 0.76 -0.12 0.00 0.70 0.00 0.00 55.95 57.99 3ie2 s SER 175 Cb -0.25 -2.17 0.11 0.00 -1.71 0.00 0.00 66.02 62.00 3ie2 s SER 175 CO 0.49 0.27 0.74 0.18 1.20 0.00 0.00 173.24 176.12 3ie2 n LEU 176 N 1.37 0.99 -4.93 3.45 4.77 -1.26 -4.78 117.00 116.62 3ie2 n LEU 176 Ca -0.12 0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 55.89 3ie2 n LEU 176 Cb 0.53 -1.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.29 3ie2 n LEU 176 CO 0.39 -2.95 0.15 -2.16 -1.33 0.00 0.00 177.39 171.49 3ie2 s PRO 177 N -4.11 3.54 0.85 3.23 0.04 -1.26 -4.95 135.00 132.34 3ie2 s PRO 177 Ca 0.62 -0.23 -0.11 0.00 0.04 0.00 0.00 61.00 61.32 3ie2 s PRO 177 Cb -0.22 -2.69 0.10 0.00 0.04 0.00 0.00 34.50 31.73 3ie2 s PRO 177 CO 0.63 0.22 1.09 -1.25 0.04 0.00 0.00 177.00 177.73 3ie2 s PRO 178 N -3.88 1.65 0.16 0.56 0.04 -1.26 -4.91 135.00 127.37 3ie2 s PRO 178 Ca 0.41 0.77 -0.32 0.00 0.04 0.00 0.00 61.00 61.91 3ie2 s PRO 178 Cb -0.10 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 3ie2 s PRO 178 CO 0.33 -1.96 1.63 -1.17 0.04 0.00 0.00 177.00 175.87 3ie2 s LEU 179 N -6.02 4.37 0.00 -3.56 2.96 -1.26 -4.96 118.68 110.20 3ie2 s LEU 179 Ca 0.62 2.67 0.04 0.00 -0.22 0.00 0.00 54.13 57.24 3ie2 s LEU 179 Cb -0.16 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 3ie2 s LEU 179 CO 0.56 -0.87 0.14 0.00 -1.32 0.00 0.00 176.35 174.86 3ie2 n ALA 180 N 4.24 0.51 0.54 5.97 0.00 -1.26 -4.95 120.51 125.55 3ie2 n ALA 180 Ca 0.15 -1.75 0.06 0.00 0.00 0.00 0.00 53.44 51.90 3ie2 n ALA 180 Cb 0.38 1.22 -0.03 0.00 0.00 0.00 0.00 19.45 21.02 3ie2 n ALA 180 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ie2 n ASP 181 N -1.65 1.03 -3.64 0.00 9.92 -0.62 -4.47 116.55 117.12 3ie2 n ASP 181 Ca -0.03 -1.01 -0.08 0.00 -0.53 0.00 0.00 54.79 53.13 3ie2 n ASP 181 Cb 0.52 0.68 -0.07 0.00 -0.64 0.00 0.00 41.12 41.61 3ie2 n ASP 181 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3ie2 s LEU 182 N -2.07 -0.65 -0.51 0.64 2.96 -1.21 -4.46 118.68 113.38 3ie2 s LEU 182 Ca 0.08 1.15 0.07 0.00 -0.22 0.00 0.00 54.13 55.21 3ie2 s LEU 182 Cb 0.09 2.11 0.27 0.00 0.50 0.00 0.00 46.19 49.17 3ie2 s LEU 182 CO 0.37 -0.19 0.69 0.52 -1.32 0.00 0.00 176.35 176.41 3ie2 n VAL 183 N 3.13 1.04 -1.52 1.68 0.31 -1.18 -1.18 118.33 120.61 3ie2 n VAL 183 Ca -0.16 -4.75 -0.31 0.00 -0.01 0.00 0.00 64.34 59.11 3ie2 n VAL 183 Cb 0.57 -1.76 -0.12 0.00 -0.91 0.00 0.00 33.84 31.62 3ie2 n VAL 183 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3ie2 n LEU 184 N 0.86 0.68 -4.69 7.52 7.94 -1.01 -3.76 117.00 124.54 3ie2 n LEU 184 Ca 0.26 -0.42 -0.24 0.00 -1.11 0.00 0.00 56.01 54.51 3ie2 n LEU 184 Cb 0.48 -1.13 -0.07 0.00 0.53 0.00 0.00 43.42 43.23 3ie2 n LEU 184 CO 0.29 -1.40 -0.29 0.00 -1.11 0.00 0.00 177.39 174.88 3ie2 s ALA 185 N 8.86 3.27 0.62 1.96 0.00 -0.55 -2.58 121.76 133.34 3ie2 s ALA 185 Ca 1.18 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 3ie2 s ALA 185 Cb -0.71 -0.95 0.06 0.00 0.00 0.00 0.00 23.12 21.53 3ie2 s ALA 185 CO 0.38 0.31 0.87 -1.83 0.00 0.00 0.00 175.76 175.50 3ie2 s GLU 186 N -3.54 2.24 0.00 0.00 4.04 -1.25 -0.14 118.70 120.04 3ie2 s GLU 186 Ca 0.31 -0.80 0.02 0.00 0.04 0.00 0.00 54.97 54.54 3ie2 s GLU 186 Cb -0.07 -2.39 0.03 0.00 0.02 0.00 0.00 34.13 31.71 3ie2 s GLU 186 CO 0.21 -1.01 0.75 0.41 -1.84 0.00 0.00 175.26 173.78 3ie2 n GLY 187 N -2.57 0.80 0.23 -3.83 0.00 -0.80 -4.73 105.19 94.29 3ie2 n GLY 187 Ca 0.10 -0.06 0.21 0.00 0.00 0.00 0.00 46.02 46.27 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 0.03 -0.19 -2.91 2.61 -1.04 -0.78 0.26 114.28 112.28 3ie2 n THR 188 Ca -0.07 1.09 -0.26 0.00 -2.04 0.00 0.00 64.05 62.77 3ie2 n THR 188 Cb 0.62 -1.78 -0.03 0.00 -1.82 0.00 0.00 70.33 67.33 3ie2 n THR 188 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3ie2 n TYR 189 N -4.02 3.53 0.64 -1.42 4.02 -1.26 -4.80 117.16 113.85 3ie2 n TYR 189 Ca 0.23 -3.86 0.12 0.00 -0.01 0.00 0.00 57.90 54.38 3ie2 n TYR 189 Cb 0.83 -0.43 0.20 0.00 -0.02 0.00 0.00 39.34 39.92 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 -0.22 -1.41 0.10 2.72 0.00 0.14 -0.80 105.19 105.72 3ie2 n GLY 190 Ca 0.31 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 -0.09 -5.00 1.61 -0.00 -1.83 -3.10 116.42 108.02 3ie2 h ASP 191 Ca 0.00 -0.51 -0.14 0.00 -0.00 0.00 0.00 57.03 56.37 3ie2 h ASP 191 Cb 0.70 0.02 -0.20 0.00 -0.00 0.00 0.00 39.33 39.86 3ie2 h ASP 191 CO 0.00 0.57 -0.51 0.00 -0.00 0.00 0.00 179.24 179.30 3ie2 s ARG 192 N -3.01 0.48 0.61 4.15 1.04 -1.26 -4.94 118.95 116.03 3ie2 s ARG 192 Ca -0.14 -0.47 -0.15 0.00 -1.04 0.00 0.00 55.73 53.93 3ie2 s ARG 192 Cb -0.00 0.20 -0.03 0.00 -2.04 0.00 0.00 34.95 33.08 3ie2 s ARG 192 CO 0.51 -0.11 1.07 -1.25 -0.04 0.00 0.00 175.30 175.47 3ie2 s PRO 193 N -1.57 3.19 0.97 3.89 0.04 -1.26 -3.85 135.00 136.40 3ie2 s PRO 193 Ca -0.14 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 3ie2 s PRO 193 Cb -0.07 -2.01 0.17 0.00 0.04 0.00 0.00 34.50 32.62 3ie2 s PRO 193 CO 0.00 -0.91 1.10 -1.01 0.04 0.00 0.00 177.00 176.23 3ie2 s HIS 194 N -2.50 2.24 -0.21 0.56 3.76 -1.26 -4.92 115.29 112.96 3ie2 s HIS 194 Ca 0.64 0.98 -0.24 0.00 -0.15 0.00 0.00 55.06 56.28 3ie2 s HIS 194 Cb -0.16 -3.28 -0.01 0.00 1.11 0.00 0.00 32.58 30.23 3ie2 s HIS 194 CO 0.39 -2.70 0.79 1.03 -0.85 0.00 0.00 174.74 173.40 3ie2 s ARG 195 N -5.05 4.22 -0.36 1.40 0.52 -1.18 -4.93 118.95 113.58 3ie2 s ARG 195 Ca 0.65 0.90 -0.32 0.00 -0.52 0.00 0.00 55.73 56.44 3ie2 s ARG 195 Cb -0.17 -3.61 -0.14 0.00 0.52 0.00 0.00 34.95 31.55 3ie2 s ARG 195 CO 0.56 -0.40 1.45 -2.30 0.02 0.00 0.00 175.30 174.63 3ie2 n PRO 196 N 5.58 0.00 -0.30 3.54 -0.02 -1.26 -4.25 135.00 138.29 3ie2 n PRO 196 Ca 0.04 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.46 3ie2 n PRO 196 Cb 0.48 -1.07 -0.01 0.00 -0.02 0.00 0.00 33.50 32.88 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 5.87 -1.24 -0.93 6.00 5.03 -1.89 -2.21 116.97 127.60 3ie2 h TYR 197 Ca -0.12 0.10 0.20 0.00 2.58 0.00 0.00 58.73 61.48 3ie2 h TYR 197 Cb 1.01 0.65 -0.18 0.00 1.55 0.00 0.00 36.73 39.77 3ie2 h TYR 197 CO 0.65 -0.40 -0.20 -2.13 -1.32 0.00 0.00 178.16 174.76 3ie2 n ARG 198 N -5.41 -0.08 0.00 1.82 3.00 -1.26 0.21 116.66 114.93 3ie2 n ARG 198 Ca 0.05 1.44 0.14 0.00 -0.00 0.00 0.00 57.85 59.48 3ie2 n ARG 198 Cb 0.36 -2.17 0.58 0.00 0.00 0.00 0.00 32.46 31.22 3ie2 n ARG 198 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 3ie2 n GLU 199 N -5.50 0.63 0.05 -0.14 0.28 -0.86 -2.90 120.64 112.20 3ie2 n GLU 199 Ca 0.16 -0.23 -0.11 0.00 -0.16 0.00 0.00 57.16 56.82 3ie2 n GLU 199 Cb 0.50 -1.50 -0.13 0.00 1.43 0.00 0.00 31.44 31.74 3ie2 n GLU 199 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 3ie2 h THR 200 N 0.55 1.40 0.00 3.84 2.02 0.27 -2.75 112.91 118.25 3ie2 h THR 200 Ca 0.00 -3.10 -0.10 0.00 0.77 0.00 0.00 66.41 63.98 3ie2 h THR 200 Cb 0.38 2.77 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 3ie2 h THR 200 CO 0.00 0.85 -0.83 0.58 0.37 0.00 0.00 175.52 176.48 3ie2 h VAL 201 N 0.03 0.51 0.79 3.16 2.07 -1.39 -2.92 116.25 118.50 3ie2 h VAL 201 Ca -0.13 -1.81 -0.04 0.00 0.82 0.00 0.00 66.70 65.54 3ie2 h VAL 201 Cb 1.90 2.10 0.01 0.00 -1.52 0.00 0.00 31.29 33.78 3ie2 h VAL 201 CO 0.14 0.29 -0.38 -0.09 0.02 0.00 0.00 177.57 177.55 3ie2 h ARG 202 N 0.00 -1.03 0.00 1.57 2.43 -1.52 -1.16 114.38 114.67 3ie2 h ARG 202 Ca -0.06 0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 3ie2 h ARG 202 Cb 1.35 0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 31.13 3ie2 h ARG 202 CO 0.04 -0.67 -0.19 1.49 -1.51 0.00 0.00 179.97 179.13 3ie2 h GLU 203 N -1.18 0.00 0.11 0.20 4.81 -1.61 -1.80 114.58 115.12 3ie2 h GLU 203 Ca -0.11 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 3ie2 h GLU 203 Cb 0.83 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3ie2 h GLU 203 CO 0.18 0.19 -0.05 0.35 -0.73 0.00 0.00 179.01 178.95 3ie2 h PHE 204 N 0.00 -0.14 0.00 0.92 3.04 -1.30 -0.49 116.94 118.97 3ie2 h PHE 204 Ca -0.00 -0.00 -0.06 0.00 3.98 0.00 0.00 57.97 61.89 3ie2 h PHE 204 Cb 0.42 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 3ie2 h PHE 204 CO 0.00 0.13 -0.26 -0.07 -2.02 0.00 0.00 178.31 176.09 3ie2 h LEU 205 N -0.41 0.00 -0.89 0.59 3.38 -1.05 -2.27 115.31 114.67 3ie2 h LEU 205 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3ie2 h LEU 205 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3ie2 h LEU 205 CO 0.03 0.26 -0.05 -0.08 0.09 0.00 0.00 178.44 178.69 3ie2 h GLU 206 N 0.00 0.77 -0.13 1.13 4.81 -1.01 -2.56 114.58 117.59 3ie2 h GLU 206 Ca -0.00 -0.23 -0.12 0.00 -0.13 0.00 0.00 59.36 58.88 3ie2 h GLU 206 Cb 0.49 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.79 3ie2 h GLU 206 CO 0.03 0.81 -0.38 0.82 -0.73 0.00 0.00 179.01 179.57 3ie2 h ILE 207 N 0.71 1.37 -0.03 2.32 2.04 -0.52 -3.10 117.51 120.30 3ie2 h ILE 207 Ca 0.13 -1.68 0.01 0.00 1.00 0.00 0.00 64.86 64.32 3ie2 h ILE 207 Cb 0.50 2.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.68 3ie2 h ILE 207 CO 0.03 0.50 0.02 -0.07 0.00 0.00 0.00 178.15 178.63 3ie2 h LEU 208 N 0.08 0.00 0.00 1.44 3.38 -1.39 -2.89 115.31 115.93 3ie2 h LEU 208 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ie2 h LEU 208 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3ie2 h LEU 208 CO 0.08 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.82 3ie2 n GLU 209 N -4.19 0.00 -0.12 1.13 4.07 -0.97 -2.22 120.64 118.33 3ie2 n GLU 209 Ca -0.02 0.01 -0.03 0.00 -0.06 0.00 0.00 57.16 57.06 3ie2 n GLU 209 Cb 0.12 -0.99 -0.03 0.00 -0.06 0.00 0.00 31.44 30.48 3ie2 n GLU 209 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3ie2 n LYS 210 N -0.50 -0.13 0.00 5.31 3.00 -1.20 -1.22 118.16 123.42 3ie2 n LYS 210 Ca 0.00 0.88 0.00 0.00 -0.00 0.00 0.00 58.31 59.19 3ie2 n LYS 210 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 35.03 33.72 3ie2 n LYS 210 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 3ie2 n THR 211 N -3.59 0.00 -0.28 3.15 5.66 -1.09 -2.24 114.28 115.88 3ie2 n THR 211 Ca 0.01 0.92 0.19 0.00 -3.05 0.00 0.00 64.05 62.12 3ie2 n THR 211 Cb 0.08 -1.65 0.37 0.00 -1.55 0.00 0.00 70.33 67.57 3ie2 n THR 211 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3ie2 n LEU 212 N -0.64 0.09 0.05 1.09 4.77 -0.94 -0.07 117.00 121.34 3ie2 n LEU 212 Ca 0.00 1.43 -0.15 0.00 -0.03 0.00 0.00 56.01 57.26 3ie2 n LEU 212 Cb 0.00 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.40 3ie2 n LEU 212 CO 0.00 -1.52 0.51 0.28 -1.33 0.00 0.00 177.39 175.33 3ie2 h SER 213 N 0.00 -1.53 0.00 -1.43 0.02 -0.97 -1.98 113.55 107.66 3ie2 h SER 213 Ca 0.61 0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 61.70 3ie2 h SER 213 Cb 1.46 0.58 -0.01 0.00 0.14 0.00 0.00 62.40 64.57 3ie2 h SER 213 CO -0.73 -0.48 -0.05 0.00 -1.14 0.00 0.00 176.83 174.43 3ie2 n GLN 214 N -5.21 0.99 -1.09 3.45 10.64 0.91 -4.72 117.38 122.34 3ie2 n GLN 214 Ca -0.07 -0.19 -0.08 0.00 -1.83 0.00 0.00 57.00 54.84 3ie2 n GLN 214 Cb 0.36 -1.28 -0.03 0.00 -0.86 0.00 0.00 30.24 28.43 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 1.83 0.73 3.92 2.61 0.00 -0.74 -4.92 105.19 108.61 3ie2 n GLY 215 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.65 1.67 0.49 -0.02 0.00 -1.07 -3.03 107.32 103.71 3ie2 s GLY 216 Ca 0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 3ie2 s GLY 216 CO 0.00 -0.59 0.76 0.54 0.00 0.00 0.00 173.10 173.81 3ie2 s LYS 217 N -3.85 3.24 -0.46 2.90 1.02 -1.26 -3.23 119.74 118.10 3ie2 s LYS 217 Ca 0.43 -0.10 0.02 0.00 0.02 0.00 0.00 55.97 56.34 3ie2 s LYS 217 Cb -0.10 -2.43 0.14 0.00 -0.52 0.00 0.00 37.83 34.92 3ie2 s LYS 217 CO 0.33 -0.31 0.27 0.08 -0.92 0.00 0.00 175.35 174.80 3ie2 s VAL 218 N -2.71 1.38 0.09 3.17 1.01 -1.14 -1.52 120.40 120.69 3ie2 s VAL 218 Ca 0.48 -2.67 -0.30 0.00 0.00 0.00 0.00 61.98 59.49 3ie2 s VAL 218 Cb -0.10 -1.96 -0.06 0.00 0.00 0.00 0.00 36.38 34.25 3ie2 s VAL 218 CO 0.42 -0.94 1.21 -0.76 0.00 0.00 0.00 175.10 175.03 3ie2 s LEU 219 N 0.21 4.39 -0.31 3.92 1.02 -0.32 -2.77 118.68 124.83 3ie2 s LEU 219 Ca 0.20 2.08 -0.03 0.00 0.02 0.00 0.00 54.13 56.40 3ie2 s LEU 219 Cb -0.20 -3.59 0.11 0.00 0.02 0.00 0.00 46.19 42.53 3ie2 s LEU 219 CO -0.03 -0.45 0.15 -0.63 0.02 0.00 0.00 176.35 175.41 3ie2 s ILE 220 N 0.79 0.01 0.07 -0.59 1.01 0.61 0.01 121.20 123.11 3ie2 s ILE 220 Ca 0.58 -1.03 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 3ie2 s ILE 220 Cb -0.31 -1.04 -0.06 0.00 0.01 0.00 0.00 42.46 41.07 3ie2 s ILE 220 CO 0.31 -0.80 1.23 -2.16 0.00 0.00 0.00 174.94 173.53 3ie2 s PRO 221 N 1.81 4.41 0.13 2.79 0.04 -1.25 -2.93 135.00 140.00 3ie2 s PRO 221 Ca 0.11 1.83 -0.07 0.00 0.04 0.00 0.00 61.00 62.91 3ie2 s PRO 221 Cb -0.18 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 31.02 3ie2 s PRO 221 CO -0.26 -0.29 0.20 0.95 0.04 0.00 0.00 177.00 177.63 3ie2 s THR 222 N 1.07 0.10 0.02 1.26 -4.23 0.19 -4.49 115.64 109.56 3ie2 s THR 222 Ca 0.60 -1.48 -0.24 0.00 -1.18 0.00 0.00 61.69 59.39 3ie2 s THR 222 Cb -0.31 -1.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.72 3ie2 s THR 222 CO 0.29 -0.45 0.72 -0.36 -0.54 0.00 0.00 174.62 174.28 3ie2 s PHE 223 N -3.96 3.71 -1.22 3.99 0.40 -1.26 -3.90 117.98 115.74 3ie2 s PHE 223 Ca 0.15 1.39 0.00 0.00 -0.60 0.00 0.00 56.93 57.87 3ie2 s PHE 223 Cb 0.05 -2.77 0.00 0.00 0.51 0.00 0.00 43.02 40.81 3ie2 s PHE 223 CO -0.03 0.28 0.20 0.00 0.70 0.00 0.00 175.22 176.37 3ie2 n ALA 224 N 2.87 1.58 -0.06 5.36 0.00 -1.26 -2.62 120.51 126.38 3ie2 n ALA 224 Ca -0.03 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 3ie2 n ALA 224 Cb 0.50 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.91 3ie2 n ALA 224 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ie2 n VAL 225 N 0.15 0.64 0.00 0.00 0.31 -1.26 -3.91 118.33 114.26 3ie2 n VAL 225 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3ie2 n VAL 225 Cb 0.07 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 3ie2 n VAL 225 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3ie2 n GLU 226 N -2.99 0.00 0.09 5.55 0.00 -1.23 -4.89 120.64 117.17 3ie2 n GLU 226 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 56.94 3ie2 n GLU 226 Cb 0.70 -0.21 0.27 0.00 0.00 0.00 0.00 31.44 32.20 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 0.26 0.35 5.31 9.65 -1.95 -2.19 114.38 125.80 3ie2 h ARG 227 Ca 0.00 -0.10 -0.02 0.00 -1.10 0.00 0.00 59.98 58.76 3ie2 h ARG 227 Cb 0.00 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.57 3ie2 h ARG 227 CO 0.00 0.56 -0.17 0.00 2.80 0.00 0.00 179.97 183.16 3ie2 h ALA 228 N 1.44 -1.11 -0.02 2.80 0.00 -1.83 -3.06 119.26 117.48 3ie2 h ALA 228 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3ie2 h ALA 228 Cb 0.68 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 3ie2 h ALA 228 CO 0.05 -1.08 0.02 -0.56 0.00 0.00 0.00 179.25 177.68 3ie2 h GLN 229 N -0.47 0.00 0.00 0.00 -0.00 -1.85 0.21 115.11 113.00 3ie2 h GLN 229 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.60 3ie2 h GLN 229 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.84 3ie2 h GLN 229 CO 0.08 0.00 0.00 1.49 -0.00 0.00 0.00 178.83 180.40 3ie2 h GLU 230 N 0.00 0.00 0.01 0.06 4.81 -1.29 -2.43 114.58 115.74 3ie2 h GLU 230 Ca 0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3ie2 h GLU 230 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3ie2 h GLU 230 CO -0.00 0.00 -0.01 0.82 -0.73 0.00 0.00 179.01 179.09 3ie2 h ILE 231 N 0.00 1.39 0.00 2.32 1.08 -0.86 -3.16 117.51 118.28 3ie2 h ILE 231 Ca 0.00 -1.93 0.00 0.00 -0.39 0.00 0.00 64.86 62.54 3ie2 h ILE 231 Cb 0.41 2.58 0.00 0.00 -3.07 0.00 0.00 36.82 36.73 3ie2 h ILE 231 CO 0.00 0.45 0.00 0.18 -0.69 0.00 0.00 178.15 178.09 3ie2 n LEU 232 N -4.69 0.00 -0.13 1.44 4.77 -0.96 -1.01 117.00 116.43 3ie2 n LEU 232 Ca -0.08 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.64 3ie2 n LEU 232 Cb 0.37 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.35 3ie2 n LEU 232 CO 0.28 0.00 -1.29 0.00 -1.33 0.00 0.00 177.39 175.05 3ie2 n TYR 233 N -0.96 0.19 -0.23 -1.77 9.36 -0.96 -3.67 117.16 119.12 3ie2 n TYR 233 Ca 0.00 0.07 -0.06 0.00 3.32 0.00 0.00 57.90 61.22 3ie2 n TYR 233 Cb 0.00 -1.02 0.08 0.00 -0.63 0.00 0.00 39.34 37.76 3ie2 n TYR 233 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 3ie2 h VAL 234 N -0.73 1.26 0.00 2.97 2.07 -1.21 0.12 116.25 120.73 3ie2 h VAL 234 Ca -0.62 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 65.94 3ie2 h VAL 234 Cb 1.66 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 3ie2 h VAL 234 CO -0.30 0.37 0.00 0.18 0.02 0.00 0.00 177.57 177.83 3ie2 n LEU 235 N -4.23 0.41 -0.07 2.57 4.77 -0.18 -0.69 117.00 119.58 3ie2 n LEU 235 Ca 0.05 0.62 -0.20 0.00 -0.03 0.00 0.00 56.01 56.44 3ie2 n LEU 235 Cb 0.26 -0.58 -0.13 0.00 -2.33 0.00 0.00 43.42 40.64 3ie2 n LEU 235 CO 0.42 -0.52 -1.07 0.00 -1.33 0.00 0.00 177.39 174.89 3ie2 n TYR 236 N -1.97 0.62 0.28 -1.77 9.36 -0.29 -2.40 117.16 120.99 3ie2 n TYR 236 Ca 0.02 0.14 0.14 0.00 3.32 0.00 0.00 57.90 61.52 3ie2 n TYR 236 Cb 0.17 -1.08 0.38 0.00 -0.63 0.00 0.00 39.34 38.18 3ie2 n TYR 236 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 3ie2 h THR 237 N -0.09 0.00 0.00 2.97 1.35 -0.40 -3.31 112.91 113.44 3ie2 h THR 237 Ca -0.51 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 3ie2 h THR 237 Cb 1.91 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 3ie2 h THR 237 CO -0.04 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.64 3ie2 n HIS 238 N -2.99 0.00 0.13 4.73 8.25 0.13 -4.83 115.22 120.64 3ie2 n HIS 238 Ca 0.03 -0.13 0.05 0.00 -0.26 0.00 0.00 57.72 57.41 3ie2 n HIS 238 Cb 0.43 -0.01 0.49 0.00 1.12 0.00 0.00 29.99 32.02 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 0.27 1.86 -1.41 0.00 -1.56 -3.01 103.07 99.22 3ie2 h GLY 239 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.21 3ie2 h GLY 239 CO 0.00 0.11 0.04 -2.39 0.00 0.00 0.00 176.54 174.30 3ie2 n HIS 240 N -4.43 0.06 -1.96 5.60 1.44 -1.26 -1.79 115.22 112.87 3ie2 n HIS 240 Ca -0.00 0.03 -0.15 0.00 -2.01 0.00 0.00 57.72 55.59 3ie2 n HIS 240 Cb 0.14 -0.52 0.07 0.00 0.12 0.00 0.00 29.99 29.80 3ie2 n HIS 240 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 3ie2 n ARG 241 N -1.53 2.99 -4.04 -1.40 1.85 -1.14 -4.99 116.66 108.39 3ie2 n ARG 241 Ca -0.00 -3.90 -0.17 0.00 -1.00 0.00 0.00 57.85 52.78 3ie2 n ARG 241 Cb 0.04 -2.06 -0.15 0.00 -1.05 0.00 0.00 32.46 29.24 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 -3.47 1.53 0.11 2.89 1.43 -0.74 -5.05 118.68 115.37 3ie2 s LEU 242 Ca 0.47 -0.07 -0.36 0.00 -1.03 0.00 0.00 54.13 53.14 3ie2 s LEU 242 Cb 0.40 -0.26 -0.16 0.00 0.03 0.00 0.00 46.19 46.20 3ie2 s LEU 242 CO 0.01 -0.03 1.44 -0.81 0.23 0.00 0.00 176.35 177.18 3ie2 n PRO 243 N 3.66 1.53 -1.48 1.29 -0.04 -1.26 -4.78 135.00 133.92 3ie2 n PRO 243 Ca -0.21 0.55 -0.48 0.00 -0.04 0.00 0.00 63.50 63.32 3ie2 n PRO 243 Cb 0.54 -2.24 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 3ie2 n PRO 243 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3ie2 n ARG 244 N 2.93 1.29 -3.72 0.54 0.00 -1.26 -4.92 116.66 111.51 3ie2 n ARG 244 Ca 0.18 0.34 -0.20 0.00 -0.00 0.00 0.00 57.85 58.17 3ie2 n ARG 244 Cb 0.23 -2.67 -0.18 0.00 -0.00 0.00 0.00 32.46 29.84 3ie2 n ARG 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3ie2 s ALA 245 N 7.68 0.35 0.11 2.89 0.00 -1.26 -5.00 121.76 126.52 3ie2 s ALA 245 Ca 1.07 0.11 -0.35 0.00 0.00 0.00 0.00 51.96 52.79 3ie2 s ALA 245 Cb -0.72 -0.60 -0.15 0.00 0.00 0.00 0.00 23.12 21.65 3ie2 s ALA 245 CO 0.45 -0.42 1.47 -0.35 0.00 0.00 0.00 175.76 176.91 3ie2 n PRO 246 N 5.09 1.65 -3.61 0.00 -0.04 -1.26 -4.47 135.00 132.36 3ie2 n PRO 246 Ca -0.08 0.60 -0.39 0.00 -0.04 0.00 0.00 63.50 63.59 3ie2 n PRO 246 Cb 0.50 -2.30 -0.11 0.00 -0.04 0.00 0.00 33.50 31.54 3ie2 n PRO 246 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3ie2 s ILE 247 N 0.84 4.79 -0.20 0.52 1.01 -0.80 -1.44 121.20 125.92 3ie2 s ILE 247 Ca 0.82 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 3ie2 s ILE 247 Cb -0.82 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 3ie2 s ILE 247 CO 0.43 -0.00 0.06 -0.31 0.00 0.00 0.00 174.94 175.12 3ie2 s TYR 248 N 1.64 3.18 -0.94 3.97 1.51 0.54 0.17 117.35 127.42 3ie2 s TYR 248 Ca 0.05 -0.09 -0.12 0.00 -1.01 0.00 0.00 57.07 55.90 3ie2 s TYR 248 Cb -0.17 -2.12 0.24 0.00 -0.11 0.00 0.00 41.96 39.80 3ie2 s TYR 248 CO 0.07 -0.01 0.90 -1.17 -1.11 0.00 0.00 175.55 174.24 3ie2 s LEU 249 N 0.76 6.60 -1.12 -1.29 2.96 0.47 -2.00 118.68 125.06 3ie2 s LEU 249 Ca 0.03 -3.05 -0.12 0.00 -0.22 0.00 0.00 54.13 50.77 3ie2 s LEU 249 Cb -0.13 -2.21 -0.07 0.00 0.50 0.00 0.00 46.19 44.27 3ie2 s LEU 249 CO 0.02 -0.46 2.27 -0.67 -1.32 0.00 0.00 176.35 176.19 3ie2 n ASP 250 N 3.47 5.02 -3.21 3.68 2.03 0.18 -1.94 116.55 125.79 3ie2 n ASP 250 Ca 0.18 -2.54 -0.01 0.00 0.52 0.00 0.00 54.79 52.94 3ie2 n ASP 250 Cb 0.44 -1.29 -0.02 0.00 -0.72 0.00 0.00 41.12 39.53 3ie2 n ASP 250 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3ie2 s SER 251 N 3.49 -0.84 0.44 1.67 0.15 -1.26 -4.21 113.70 113.15 3ie2 s SER 251 Ca 0.51 0.03 0.20 0.00 0.70 0.00 0.00 55.95 57.40 3ie2 s SER 251 Cb 0.13 1.69 1.16 0.00 -1.71 0.00 0.00 66.02 67.29 3ie2 s SER 251 CO -0.01 -0.32 1.87 -0.65 1.20 0.00 0.00 173.24 175.33 3ie2 h PRO 252 N 8.06 0.31 0.04 5.44 0.11 -1.83 -2.03 132.00 142.11 3ie2 h PRO 252 Ca -0.06 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.03 3ie2 h PRO 252 Cb 1.16 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ie2 h PRO 252 CO 0.20 0.21 -0.02 1.98 -0.21 0.00 0.00 178.00 180.16 3ie2 h MET 253 N 0.32 -0.06 0.00 1.05 4.05 -1.92 -2.99 114.93 115.39 3ie2 h MET 253 Ca 0.44 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.87 3ie2 h MET 253 Cb 1.22 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 3ie2 h MET 253 CO -0.14 0.59 0.37 0.00 0.23 0.00 0.00 176.91 177.96 3ie2 h ALA 254 N -0.02 1.30 0.18 0.39 0.00 -1.51 1.29 119.26 120.89 3ie2 h ALA 254 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 3ie2 h ALA 254 Cb 0.67 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.48 3ie2 h ALA 254 CO 0.01 -0.30 -1.46 0.78 0.00 0.00 0.00 179.25 178.27 3ie2 h GLY 255 N 0.00 0.43 1.76 0.00 0.00 -1.26 -1.40 103.07 102.59 3ie2 h GLY 255 Ca 0.00 -1.10 -0.17 0.00 0.00 0.00 0.00 47.33 46.06 3ie2 h GLY 255 CO 0.00 0.96 -0.73 3.21 0.00 0.00 0.00 176.54 179.98 3ie2 h ARG 256 N 0.10 0.24 -0.14 4.80 3.08 0.17 -1.11 114.38 121.52 3ie2 h ARG 256 Ca -0.23 -0.20 -0.21 0.00 0.07 0.00 0.00 59.98 59.41 3ie2 h ARG 256 Cb 2.07 0.04 0.01 0.00 0.08 0.00 0.00 29.97 32.17 3ie2 h ARG 256 CO 0.22 0.87 -0.75 0.28 -1.07 0.00 0.00 179.97 179.51 3ie2 h VAL 257 N 0.16 1.31 -0.05 2.04 2.07 -1.09 -1.74 116.25 118.94 3ie2 h VAL 257 Ca -0.02 -2.01 -0.12 0.00 0.82 0.00 0.00 66.70 65.36 3ie2 h VAL 257 Cb 1.29 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 3ie2 h VAL 257 CO 0.11 0.63 -0.53 0.25 0.02 0.00 0.00 177.57 178.05 3ie2 h LEU 258 N 0.47 0.16 -0.90 2.57 5.85 -1.20 -1.26 115.31 121.00 3ie2 h LEU 258 Ca -0.04 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 3ie2 h LEU 258 Cb 1.37 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 3ie2 h LEU 258 CO 0.15 0.66 -0.29 0.28 -0.34 0.00 0.00 178.44 178.91 3ie2 h SER 259 N 0.11 0.00 1.30 1.25 0.02 -1.10 -2.74 113.55 112.39 3ie2 h SER 259 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 3ie2 h SER 259 Cb 0.98 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 3ie2 h SER 259 CO 0.08 0.29 -0.72 0.25 -1.14 0.00 0.00 176.83 175.58 3ie2 h LEU 260 N 0.00 0.00 -2.09 5.07 5.85 -0.71 -3.35 115.31 120.08 3ie2 h LEU 260 Ca -0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3ie2 h LEU 260 Cb 0.87 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 3ie2 h LEU 260 CO 0.04 0.45 0.31 1.88 -0.34 0.00 0.00 178.44 180.78 3ie2 h TYR 261 N 0.00 0.00 0.00 1.25 0.99 -0.93 -2.59 116.97 115.69 3ie2 h TYR 261 Ca -0.04 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.61 3ie2 h TYR 261 Cb 1.38 0.00 0.01 0.00 1.00 0.00 0.00 36.73 39.12 3ie2 h TYR 261 CO 0.00 0.00 -0.29 -1.35 -0.00 0.00 0.00 178.16 176.52 3ie2 h PRO 262 N 0.00 0.19 0.00 4.88 0.11 -1.75 -3.14 132.00 132.28 3ie2 h PRO 262 Ca 0.01 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3ie2 h PRO 262 Cb 0.63 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3ie2 h PRO 262 CO -0.00 0.94 0.00 -2.13 -0.21 0.00 0.00 178.00 176.60 3ie2 n ARG 263 N -4.48 0.23 -0.05 1.05 0.63 -0.98 -1.60 116.66 111.46 3ie2 n ARG 263 Ca -0.10 0.00 0.06 0.00 -0.92 0.00 0.00 57.85 56.89 3ie2 n ARG 263 Cb 0.52 -1.29 0.09 0.00 0.45 0.00 0.00 32.46 32.24 3ie2 n ARG 263 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 3ie2 n LEU 264 N -0.79 2.16 -0.35 6.15 4.32 -1.19 -4.78 117.00 122.53 3ie2 n LEU 264 Ca 0.03 -2.64 0.33 0.00 -0.02 0.00 0.00 56.01 53.71 3ie2 n LEU 264 Cb 0.01 -0.27 0.69 0.00 -1.62 0.00 0.00 43.42 42.24 3ie2 n LEU 264 CO 0.02 0.62 1.30 1.62 -1.22 0.00 0.00 177.39 179.74 3ie2 h VAL 265 N 0.17 0.39 -0.77 4.08 3.04 -1.38 -0.77 116.25 121.01 3ie2 h VAL 265 Ca 0.00 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.62 3ie2 h VAL 265 Cb 0.84 0.29 -0.04 0.00 -2.01 0.00 0.00 31.29 30.37 3ie2 h VAL 265 CO 0.00 0.02 0.35 0.08 -1.01 0.00 0.00 177.57 177.01 3ie2 h ARG 266 N 0.10 1.12 0.00 4.17 0.11 -1.87 -3.13 114.38 114.89 3ie2 h ARG 266 Ca 0.61 -0.17 0.00 0.00 0.10 0.00 0.00 59.98 60.52 3ie2 h ARG 266 Cb 2.18 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 33.06 3ie2 h ARG 266 CO -0.10 0.88 0.00 1.88 0.10 0.00 0.00 179.97 182.73 3ie2 h TYR 267 N 1.11 0.00 -4.00 4.08 0.05 -1.52 -3.46 116.97 113.22 3ie2 h TYR 267 Ca 0.26 0.00 -0.44 0.00 0.05 0.00 0.00 58.73 58.60 3ie2 h TYR 267 Cb 0.15 0.00 0.17 0.00 1.01 0.00 0.00 36.73 38.05 3ie2 h TYR 267 CO 0.02 0.00 0.41 -0.06 -1.05 0.00 0.00 178.16 177.48 3ie2 s PHE 268 N -3.57 1.54 0.75 4.88 0.08 -1.18 -4.49 117.98 115.99 3ie2 s PHE 268 Ca 0.02 0.32 -0.11 0.00 0.12 0.00 0.00 56.93 57.29 3ie2 s PHE 268 Cb 0.09 -4.10 0.04 0.00 -0.57 0.00 0.00 43.02 38.48 3ie2 s PHE 268 CO 0.54 -2.71 1.08 -1.54 -0.10 0.00 0.00 175.22 172.49 3ie2 s SER 269 N -4.85 4.82 0.28 1.36 1.04 0.17 -4.59 113.70 111.92 3ie2 s SER 269 Ca 0.74 1.60 0.01 0.00 0.48 0.00 0.00 55.95 58.78 3ie2 s SER 269 Cb -0.04 -2.39 0.63 0.00 0.10 0.00 0.00 66.02 64.32 3ie2 s SER 269 CO 0.53 -1.80 1.71 -0.33 0.98 0.00 0.00 173.24 174.33 3ie2 h GLU 270 N -0.97 0.42 0.27 4.02 4.39 -1.92 -1.34 114.58 119.45 3ie2 h GLU 270 Ca -0.45 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.23 3ie2 h GLU 270 Cb 1.23 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.75 3ie2 h GLU 270 CO 0.56 0.28 -0.44 1.49 -1.16 0.00 0.00 179.01 179.73 3ie2 h GLU 271 N 0.43 -0.75 -0.93 2.33 4.81 -1.92 0.77 114.58 119.33 3ie2 h GLU 271 Ca 0.51 0.05 0.18 0.00 -0.13 0.00 0.00 59.36 59.97 3ie2 h GLU 271 Cb 0.89 0.17 -0.10 0.00 0.63 0.00 0.00 28.75 30.34 3ie2 h GLU 271 CO -0.48 -0.50 0.51 0.28 -0.73 0.00 0.00 179.01 178.09 3ie2 h VAL 272 N -0.78 0.69 -0.28 0.32 2.07 -1.59 0.57 116.25 117.25 3ie2 h VAL 272 Ca -0.01 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.16 3ie2 h VAL 272 Cb 0.74 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 3ie2 h VAL 272 CO -0.17 0.12 -0.33 1.56 0.02 0.00 0.00 177.57 178.77 3ie2 h GLN 273 N 0.66 0.60 -0.56 1.57 4.20 -0.13 -1.64 115.11 119.81 3ie2 h GLN 273 Ca 0.53 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 3ie2 h GLN 273 Cb 0.82 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 3ie2 h GLN 273 CO -0.39 0.85 0.23 0.00 -0.67 0.00 0.00 178.83 178.86 3ie2 h ALA 274 N 1.13 0.73 -0.07 3.87 0.00 0.27 0.57 119.26 125.75 3ie2 h ALA 274 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3ie2 h ALA 274 Cb 0.82 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ie2 h ALA 274 CO 0.07 0.33 0.04 0.45 0.00 0.00 0.00 179.25 180.13 3ie2 h HIS 275 N 0.77 0.10 -0.90 0.00 3.86 -1.07 -2.73 115.15 115.18 3ie2 h HIS 275 Ca 0.19 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.50 3ie2 h HIS 275 Cb 0.18 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.55 3ie2 h HIS 275 CO 0.01 0.17 0.58 0.74 0.86 0.00 0.00 177.93 180.28 3ie2 h PHE 276 N 0.00 0.94 0.00 2.45 0.04 -0.89 -0.09 116.94 119.39 3ie2 h PHE 276 Ca 0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.82 3ie2 h PHE 276 Cb 0.11 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 37.96 3ie2 h PHE 276 CO -0.04 0.41 0.00 1.25 -0.60 0.00 0.00 178.31 179.33 3ie2 h LEU 277 N 0.85 0.00 -3.71 1.54 5.85 -0.57 -1.50 115.31 117.77 3ie2 h LEU 277 Ca 0.43 0.00 -0.44 0.00 0.84 0.00 0.00 57.88 58.71 3ie2 h LEU 277 Cb 0.49 0.00 -0.26 0.00 0.37 0.00 0.00 40.66 41.26 3ie2 h LEU 277 CO -0.19 0.00 0.56 0.00 -0.34 0.00 0.00 178.44 178.46 3ie2 n GLN 278 N -2.98 2.14 -0.81 1.25 6.02 -0.05 -4.88 117.38 118.06 3ie2 n GLN 278 Ca -0.02 -2.60 0.00 0.00 -0.01 0.00 0.00 57.00 54.37 3ie2 n GLN 278 Cb 0.11 -2.02 0.00 0.00 1.02 0.00 0.00 30.24 29.35 3ie2 n GLN 278 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ie2 n GLY 279 N -0.89 0.17 3.83 1.08 0.00 -0.56 -4.97 105.19 103.85 3ie2 n GLY 279 Ca 0.51 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.18 3ie2 n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie2 s LYS 280 N -1.15 3.28 -0.80 1.61 1.02 -1.23 -5.04 119.74 117.43 3ie2 s LYS 280 Ca 0.00 -0.31 -0.12 0.00 0.02 0.00 0.00 55.97 55.57 3ie2 s LYS 280 Cb 0.00 -3.03 0.21 0.00 -0.52 0.00 0.00 37.83 34.49 3ie2 s LYS 280 CO 0.00 0.71 0.71 1.21 -0.92 0.00 0.00 175.35 177.06 3ie2 s ASN 281 N -1.41 6.48 0.00 2.83 3.84 -1.26 -3.50 114.94 121.91 3ie2 s ASN 281 Ca 0.20 -2.75 0.00 0.00 0.21 0.00 0.00 52.86 50.51 3ie2 s ASN 281 Cb -0.12 -2.14 0.00 0.00 -0.55 0.00 0.00 41.25 38.44 3ie2 s ASN 281 CO 0.10 -0.52 0.00 -0.81 -2.79 0.00 0.00 177.10 173.08 3ie2 n PRO 282 N 3.83 0.00 -0.54 0.43 -0.04 -1.26 -2.01 135.00 135.42 3ie2 n PRO 282 Ca 0.13 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.64 3ie2 n PRO 282 Cb 0.45 -1.00 0.20 0.00 -0.04 0.00 0.00 33.50 33.11 3ie2 n PRO 282 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ie2 n PHE 283 N -0.20 0.28 -2.99 0.54 3.72 -1.26 -4.01 117.46 113.54 3ie2 n PHE 283 Ca 0.00 -1.40 -0.15 0.00 -0.05 0.00 0.00 57.45 55.85 3ie2 n PHE 283 Cb 0.00 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 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 -1.15 0.87 -0.46 -1.08 1.74 -0.85 -4.90 116.66 110.84 3ie2 n ARG 284 Ca 0.22 -2.65 -0.24 0.00 -0.77 0.00 0.00 57.85 54.40 3ie2 n ARG 284 Cb 0.77 -1.37 0.20 0.00 -1.02 0.00 0.00 32.46 31.04 3ie2 n ARG 284 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ie2 n PRO 285 N 0.88 -2.96 -2.02 5.56 -0.04 -1.26 -4.84 135.00 130.33 3ie2 n PRO 285 Ca 0.16 -0.87 -0.41 0.00 -0.04 0.00 0.00 63.50 62.34 3ie2 n PRO 285 Cb 0.63 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 32.39 3ie2 n PRO 285 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ie2 s ALA 286 N -2.13 3.54 -1.72 0.55 0.00 -1.26 -3.09 121.76 117.64 3ie2 s ALA 286 Ca 0.50 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.82 3ie2 s ALA 286 Cb -0.10 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3ie2 s ALA 286 CO 0.47 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3ie2 n GLY 287 N 0.90 0.74 3.72 0.00 0.00 -1.26 -4.66 105.19 104.63 3ie2 n GLY 287 Ca 0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 3ie2 n GLY 287 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ie2 s LEU 288 N -4.58 4.41 0.05 0.99 2.96 -1.18 -1.90 118.68 119.43 3ie2 s LEU 288 Ca 0.00 2.01 0.06 0.00 -0.22 0.00 0.00 54.13 55.97 3ie2 s LEU 288 Cb 0.00 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 3ie2 s LEU 288 CO 0.00 -0.36 -0.16 -0.70 -1.32 0.00 0.00 176.35 173.80 3ie2 s GLU 289 N 0.55 1.04 -0.27 1.98 2.56 0.45 -4.94 118.70 120.07 3ie2 s GLU 289 Ca 0.55 -0.87 0.02 0.00 0.00 0.00 0.00 54.97 54.66 3ie2 s GLU 289 Cb -0.29 -1.10 0.06 0.00 2.00 0.00 0.00 34.13 34.80 3ie2 s GLU 289 CO 0.31 0.27 -0.09 0.08 -0.56 0.00 0.00 175.26 175.27 3ie2 s VAL 290 N -0.94 2.35 0.01 3.70 1.01 -1.26 0.18 120.40 125.45 3ie2 s VAL 290 Ca 0.03 -1.56 -0.30 0.00 0.00 0.00 0.00 61.98 60.15 3ie2 s VAL 290 Cb -0.09 -2.37 -0.07 0.00 0.00 0.00 0.00 36.38 33.86 3ie2 s VAL 290 CO 0.02 -0.03 1.63 -0.69 0.00 0.00 0.00 175.10 176.03 3ie2 s VAL 291 N 1.14 3.36 -0.27 2.92 1.01 -0.82 -4.90 120.40 122.83 3ie2 s VAL 291 Ca -0.08 0.64 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 3ie2 s VAL 291 Cb -0.20 -3.41 -0.13 0.00 0.00 0.00 0.00 36.38 32.64 3ie2 s VAL 291 CO -0.04 -0.03 -0.33 -0.62 0.00 0.00 0.00 175.10 174.08 3ie2 n GLU 292 N 6.30 0.60 -4.07 2.72 -0.58 -1.26 -3.78 120.64 120.57 3ie2 n GLU 292 Ca 0.16 0.24 -0.25 0.00 -0.42 0.00 0.00 57.16 56.89 3ie2 n GLU 292 Cb 0.42 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.75 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 -2.51 3.20 0.37 -0.32 3.76 -1.26 -4.76 115.29 113.77 3ie2 s HIS 293 Ca -0.38 -0.02 0.05 0.00 -0.15 0.00 0.00 55.06 54.56 3ie2 s HIS 293 Cb 0.14 -1.51 0.72 0.00 1.11 0.00 0.00 32.58 33.04 3ie2 s HIS 293 CO 0.51 0.51 1.97 1.15 -0.85 0.00 0.00 174.74 178.03 3ie2 h THR 294 N 1.78 1.15 0.30 1.30 2.02 -1.99 -3.01 112.91 114.46 3ie2 h THR 294 Ca -0.48 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.23 3ie2 h THR 294 Cb 1.21 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 3ie2 h THR 294 CO 0.63 0.18 -0.47 1.05 0.37 0.00 0.00 175.52 177.28 3ie2 h GLU 295 N 0.57 -0.79 -0.07 6.66 4.11 -1.99 0.16 114.58 123.23 3ie2 h GLU 295 Ca 0.14 0.05 0.02 0.00 0.07 0.00 0.00 59.36 59.65 3ie2 h GLU 295 Cb 0.11 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ie2 h GLU 295 CO -0.02 -0.53 0.06 0.00 0.07 0.00 0.00 179.01 178.59 3ie2 h ALA 296 N -0.53 1.93 -0.04 1.06 0.00 -1.98 -0.06 119.26 119.63 3ie2 h ALA 296 Ca -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3ie2 h ALA 296 Cb 0.77 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3ie2 h ALA 296 CO -0.16 -0.10 -0.00 1.03 0.00 0.00 0.00 179.25 180.02 3ie2 h SER 297 N 0.00 0.06 1.04 0.00 0.87 -0.99 -2.83 113.55 111.70 3ie2 h SER 297 Ca 0.03 -0.32 -0.04 0.00 -1.23 0.00 0.00 61.79 60.23 3ie2 h SER 297 Cb 0.15 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3ie2 h SER 297 CO -0.00 0.37 -0.19 0.11 -0.53 0.00 0.00 176.83 176.59 3ie2 h LYS 298 N -0.24 0.00 -0.37 2.24 1.57 -0.10 -2.77 116.57 116.90 3ie2 h LYS 298 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3ie2 h LYS 298 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3ie2 h LYS 298 CO 0.00 0.19 0.12 0.00 -0.57 0.00 0.00 179.45 179.20 3ie2 h ALA 299 N 1.81 1.53 -0.37 3.86 0.00 -0.81 -2.04 119.26 123.25 3ie2 h ALA 299 Ca -0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3ie2 h ALA 299 Cb 0.76 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3ie2 h ALA 299 CO 0.02 0.36 -0.01 -0.07 0.00 0.00 0.00 179.25 179.55 3ie2 h LEU 300 N 0.52 0.55 -0.54 0.00 3.38 -1.26 0.37 115.31 118.34 3ie2 h LEU 300 Ca 0.13 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3ie2 h LEU 300 Cb 0.15 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3ie2 h LEU 300 CO -0.01 0.63 0.25 0.78 0.09 0.00 0.00 178.44 180.19 3ie2 h ASN 301 N 0.55 0.34 1.01 -0.43 2.35 -1.45 -2.44 115.58 115.51 3ie2 h ASN 301 Ca 0.11 0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.77 3ie2 h ASN 301 Cb 0.38 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.71 3ie2 h ASN 301 CO 0.01 0.23 -1.05 0.08 -1.65 0.00 0.00 177.43 175.05 3ie2 h ARG 302 N 0.49 0.00 -6.24 0.81 0.11 -1.52 -3.45 114.38 104.57 3ie2 h ARG 302 Ca 0.25 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.77 3ie2 h ARG 302 Cb 0.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 3ie2 h ARG 302 CO -0.19 0.34 1.22 0.00 0.10 0.00 0.00 179.97 181.43 3ie2 s ALA 303 N -2.98 3.31 0.67 0.08 0.00 0.13 -4.94 121.76 118.03 3ie2 s ALA 303 Ca -0.00 0.83 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 3ie2 s ALA 303 Cb 0.08 -3.87 -0.01 0.00 0.00 0.00 0.00 23.12 19.33 3ie2 s ALA 303 CO 0.79 -1.91 1.19 -0.35 0.00 0.00 0.00 175.76 175.47 3ie2 n PRO 304 N 7.74 0.90 -0.84 0.00 -0.04 -1.26 -4.86 135.00 136.65 3ie2 n PRO 304 Ca 0.21 0.37 -0.29 0.00 -0.04 0.00 0.00 63.50 63.74 3ie2 n PRO 304 Cb 0.44 -2.42 0.24 0.00 -0.04 0.00 0.00 33.50 31.71 3ie2 n PRO 304 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3ie2 s GLY 305 N -1.47 1.53 0.59 0.55 0.00 -1.25 -4.83 107.32 102.44 3ie2 s GLY 305 Ca 0.80 -0.64 -0.06 0.00 0.00 0.00 0.00 44.72 44.81 3ie2 s GLY 305 CO 0.43 0.19 0.91 2.56 0.00 0.00 0.00 173.10 177.19 3ie2 s PRO 306 N -5.04 3.01 0.00 2.90 0.04 -1.17 -4.87 135.00 129.87 3ie2 s PRO 306 Ca 0.69 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.81 3ie2 s PRO 306 Cb -0.16 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3ie2 s PRO 306 CO 0.59 -0.67 0.00 0.00 0.04 0.00 0.00 177.00 176.96 3ie2 n MET 307 N -2.59 0.00 -4.24 4.56 0.00 -1.26 -4.52 117.12 109.07 3ie2 n MET 307 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.41 3ie2 n MET 307 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 33.22 33.64 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 -2.00 2.57 -0.01 3.17 1.01 -0.52 -2.87 120.40 121.75 3ie2 s VAL 308 Ca 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.27 3ie2 s VAL 308 Cb 0.00 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 3ie2 s VAL 308 CO 0.00 0.50 -0.23 -0.69 0.00 0.00 0.00 175.10 174.69 3ie2 s VAL 309 N 1.14 2.37 -0.01 2.92 1.01 -1.11 -0.34 120.40 126.38 3ie2 s VAL 309 Ca 0.01 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 60.92 3ie2 s VAL 309 Cb -0.14 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.37 3ie2 s VAL 309 CO -0.06 0.52 -0.00 -0.76 0.00 0.00 0.00 175.10 174.81 3ie2 s LEU 310 N -0.82 1.77 0.21 3.92 1.02 -0.85 -0.28 118.68 123.65 3ie2 s LEU 310 Ca 0.11 -0.01 -0.22 0.00 0.02 0.00 0.00 54.13 54.04 3ie2 s LEU 310 Cb -0.10 -0.07 0.07 0.00 0.02 0.00 0.00 46.19 46.11 3ie2 s LEU 310 CO 0.00 -0.02 0.97 0.00 0.02 0.00 0.00 176.35 177.32 3ie2 s ALA 311 N 0.26 -1.45 0.46 4.21 0.00 -1.15 0.52 121.76 124.61 3ie2 s ALA 311 Ca -0.02 -0.30 0.06 0.00 0.00 0.00 0.00 51.96 51.70 3ie2 s ALA 311 Cb -0.04 0.72 -0.02 0.00 0.00 0.00 0.00 23.12 23.78 3ie2 s ALA 311 CO -0.01 -1.05 0.24 0.20 0.00 0.00 0.00 175.76 175.15 3ie2 s GLY 312 N -3.23 2.42 0.83 0.00 0.00 -1.25 -0.64 107.32 105.45 3ie2 s GLY 312 Ca 0.18 -1.62 -0.11 0.00 0.00 0.00 0.00 44.72 43.18 3ie2 s GLY 312 CO 0.06 -1.94 1.10 -0.45 0.00 0.00 0.00 173.10 171.86 3ie2 s SER 313 N -4.03 3.94 0.24 1.64 0.15 -1.07 -0.67 113.70 113.90 3ie2 s SER 313 Ca 0.35 1.80 0.24 0.00 0.70 0.00 0.00 55.95 59.04 3ie2 s SER 313 Cb 0.01 -2.44 0.44 0.00 -1.71 0.00 0.00 66.02 62.32 3ie2 s SER 313 CO 0.20 -2.39 1.50 1.23 1.20 0.00 0.00 173.24 174.98 3ie2 h GLY 314 N -1.38 0.00 -1.70 9.45 0.00 -1.82 -3.08 103.07 104.53 3ie2 h GLY 314 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3ie2 h GLY 314 CO 0.50 0.00 -0.08 1.03 0.00 0.00 0.00 176.54 177.99 3ie2 n MET 315 N -2.50 2.05 -3.20 4.80 2.81 -1.26 -4.78 117.12 115.04 3ie2 n MET 315 Ca 0.04 -1.72 -0.16 0.00 -1.81 0.00 0.00 57.70 54.05 3ie2 n MET 315 Cb 0.48 -1.45 0.06 0.00 -0.71 0.00 0.00 33.22 31.60 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 1.07 -3.22 -1.14 4.03 4.77 -1.16 -4.52 117.00 116.83 3ie2 n LEU 316 Ca 0.13 -0.42 0.11 0.00 -0.03 0.00 0.00 56.01 55.80 3ie2 n LEU 316 Cb 0.56 -2.39 0.22 0.00 -2.33 0.00 0.00 43.42 39.47 3ie2 n LEU 316 CO 0.17 0.40 0.70 0.00 -1.33 0.00 0.00 177.39 177.33 3ie2 n ALA 317 N -3.92 2.40 0.00 -1.18 0.00 -1.26 -4.79 120.51 111.76 3ie2 n ALA 317 Ca -0.08 -1.03 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3ie2 n ALA 317 Cb 0.58 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 1.44 -0.14 7.00 0.00 0.00 -1.26 -4.99 105.19 107.24 3ie2 n GLY 318 Ca 0.19 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 0.67 0.13 -0.02 0.00 -1.26 -2.61 105.19 102.10 3ie2 n GLY 319 Ca 0.00 -0.86 0.12 0.00 0.00 0.00 0.00 46.02 45.28 3ie2 n GLY 319 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie2 n ARG 320 N 0.00 0.45 -0.13 1.61 1.74 -1.03 -4.21 116.66 115.09 3ie2 n ARG 320 Ca 0.00 -0.27 -0.08 0.00 -0.77 0.00 0.00 57.85 56.73 3ie2 n ARG 320 Cb 0.00 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 29.94 3ie2 n ARG 320 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3ie2 h ILE 321 N 0.66 1.14 -0.63 0.55 6.09 -1.01 -2.89 117.51 121.41 3ie2 h ILE 321 Ca 0.00 -0.34 0.12 0.00 -1.37 0.00 0.00 64.86 63.27 3ie2 h ILE 321 Cb 0.51 0.65 -0.09 0.00 0.47 0.00 0.00 36.82 38.36 3ie2 h ILE 321 CO 0.00 0.14 0.17 -0.07 -3.07 0.00 0.00 178.15 175.32 3ie2 h LEU 322 N 0.51 0.08 -1.63 2.19 3.38 -1.73 0.63 115.31 118.74 3ie2 h LEU 322 Ca 0.14 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.36 3ie2 h LEU 322 Cb 0.03 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3ie2 h LEU 322 CO -0.02 0.04 0.48 0.45 0.09 0.00 0.00 178.44 179.47 3ie2 h HIS 323 N 0.31 0.43 -0.01 1.13 3.86 -1.75 -0.48 115.15 118.64 3ie2 h HIS 323 Ca 0.33 0.01 -0.25 0.00 -1.16 0.00 0.00 60.37 59.31 3ie2 h HIS 323 Cb 0.49 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 28.83 3ie2 h HIS 323 CO -0.22 0.17 -0.99 0.45 0.86 0.00 0.00 177.93 178.20 3ie2 h HIS 324 N 0.38 0.87 -0.01 2.45 3.86 -0.86 -3.24 115.15 118.59 3ie2 h HIS 324 Ca 0.34 -0.47 -0.12 0.00 -1.16 0.00 0.00 60.37 58.96 3ie2 h HIS 324 Cb 0.81 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.16 3ie2 h HIS 324 CO -0.00 1.30 -0.54 -0.07 0.86 0.00 0.00 177.93 179.48 3ie2 h LEU 325 N 0.34 0.05 0.00 2.43 4.07 -0.60 -3.18 115.31 118.42 3ie2 h LEU 325 Ca -0.11 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.83 3ie2 h LEU 325 Cb 1.63 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.36 3ie2 h LEU 325 CO 0.19 0.58 0.00 1.17 -1.08 0.00 0.00 178.44 179.29 3ie2 n LYS 326 N -3.90 0.00 -0.46 1.13 4.81 -0.30 0.04 118.16 119.48 3ie2 n LYS 326 Ca -0.01 0.19 -0.03 0.00 -0.87 0.00 0.00 58.31 57.59 3ie2 n LYS 326 Cb 0.55 -1.19 -0.04 0.00 0.02 0.00 0.00 35.03 34.37 3ie2 n LYS 326 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3ie2 n HIS 327 N -1.08 0.00 0.00 5.64 8.25 -1.22 -3.28 115.22 123.53 3ie2 n HIS 327 Ca 0.00 -0.78 0.00 0.00 -0.26 0.00 0.00 57.72 56.68 3ie2 n HIS 327 Cb 0.00 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 30.39 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 2.08 -0.13 0.33 -1.41 0.00 -1.13 -4.88 105.19 100.06 3ie2 n GLY 328 Ca 0.11 -0.03 0.21 0.00 0.00 0.00 0.00 46.02 46.31 3ie2 n GLY 328 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ie2 h LEU 329 N 0.00 0.00 -1.64 0.99 -0.00 -0.38 -2.02 115.31 112.26 3ie2 h LEU 329 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3ie2 h LEU 329 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 3ie2 h LEU 329 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 178.44 179.21 3ie2 h SER 330 N 0.00 0.00 -3.31 -0.43 4.64 -1.71 -0.08 113.55 112.66 3ie2 h SER 330 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 3ie2 h SER 330 Cb 0.06 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 61.96 3ie2 h SER 330 CO -0.00 0.00 -0.63 -0.62 -0.87 0.00 0.00 176.83 174.71 3ie2 s ASP 331 N -5.07 5.13 0.00 4.97 3.68 -0.76 -4.70 116.67 119.92 3ie2 s ASP 331 Ca 0.00 -0.05 0.24 0.00 2.13 0.00 0.00 52.55 54.87 3ie2 s ASP 331 Cb 0.10 -1.86 1.43 0.00 -1.45 0.00 0.00 42.92 41.14 3ie2 s ASP 331 CO 0.44 0.16 1.81 -0.81 0.13 0.00 0.00 175.17 176.91 3ie2 n PRO 332 N 3.58 0.79 0.00 4.34 -0.04 -1.26 -2.78 135.00 139.63 3ie2 n PRO 332 Ca -0.17 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.40 3ie2 n PRO 332 Cb 0.52 -1.47 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 3ie2 n PRO 332 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ie2 n ARG 333 N -0.97 1.39 -3.52 0.54 1.74 -1.26 -4.55 116.66 110.02 3ie2 n ARG 333 Ca 0.18 -1.11 -0.25 0.00 -0.77 0.00 0.00 57.85 55.91 3ie2 n ARG 333 Cb 0.08 -1.46 -0.02 0.00 -1.02 0.00 0.00 32.46 30.04 3ie2 n ARG 333 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3ie2 s ASN 334 N -2.36 6.33 -0.02 0.55 0.01 -1.17 -4.40 114.94 113.88 3ie2 s ASN 334 Ca 0.19 0.41 0.04 0.00 -0.71 0.00 0.00 52.86 52.79 3ie2 s ASN 334 Cb 0.18 -2.01 -0.01 0.00 0.41 0.00 0.00 41.25 39.82 3ie2 s ASN 334 CO 0.52 -0.20 -0.14 0.00 -1.51 0.00 0.00 177.10 175.78 3ie2 s ALA 335 N -2.16 1.15 -0.20 0.60 0.00 -0.58 -2.36 121.76 118.22 3ie2 s ALA 335 Ca 0.39 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 51.72 3ie2 s ALA 335 Cb -0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 3ie2 s ALA 335 CO 0.33 0.26 0.04 -1.17 0.00 0.00 0.00 175.76 175.22 3ie2 s LEU 336 N -0.22 3.52 -0.20 0.00 0.20 -0.73 -1.17 118.68 120.08 3ie2 s LEU 336 Ca 0.03 -0.09 -0.00 0.00 0.69 0.00 0.00 54.13 54.76 3ie2 s LEU 336 Cb -0.06 -1.90 0.01 0.00 -0.43 0.00 0.00 46.19 43.81 3ie2 s LEU 336 CO -0.00 0.09 -0.14 -0.69 -0.29 0.00 0.00 176.35 175.32 3ie2 s VAL 337 N 0.87 2.50 -0.32 1.68 1.01 0.10 -0.55 120.40 125.70 3ie2 s VAL 337 Ca 0.02 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.01 3ie2 s VAL 337 Cb -0.14 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3ie2 s VAL 337 CO 0.02 0.45 0.28 -0.36 0.00 0.00 0.00 175.10 175.50 3ie2 s PHE 338 N 1.34 3.22 -0.27 5.22 0.08 -0.86 -3.87 117.98 122.84 3ie2 s PHE 338 Ca 0.04 0.02 0.09 0.00 0.12 0.00 0.00 56.93 57.20 3ie2 s PHE 338 Cb -0.14 -2.53 0.48 0.00 -0.57 0.00 0.00 43.02 40.26 3ie2 s PHE 338 CO -0.09 -0.31 1.38 1.33 -0.10 0.00 0.00 175.22 177.42 3ie2 n VAL 339 N 5.14 2.44 -3.64 -0.44 0.24 -1.26 -1.36 118.33 119.45 3ie2 n VAL 339 Ca -0.11 -2.97 -0.07 0.00 -2.04 0.00 0.00 64.34 59.15 3ie2 n VAL 339 Cb 0.50 -0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 32.50 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 -2.81 -0.31 0.04 7.63 0.00 -1.26 -4.60 107.32 106.00 3ie2 s GLY 340 Ca 0.43 2.63 -0.38 0.00 0.00 0.00 0.00 44.72 47.40 3ie2 s GLY 340 CO -0.03 2.20 1.27 2.98 0.00 0.00 0.00 173.10 179.52 3ie2 n TYR 341 N 3.32 1.25 -3.77 1.90 4.19 -1.26 -4.95 117.16 117.84 3ie2 n TYR 341 Ca -0.17 0.78 -0.35 0.00 3.31 0.00 0.00 57.90 61.47 3ie2 n TYR 341 Cb 0.57 -2.26 -0.05 0.00 0.49 0.00 0.00 39.34 38.09 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 0.46 3.57 0.09 2.98 -1.52 -1.26 -4.96 119.66 119.02 3ie2 s GLN 342 Ca 0.87 -0.06 -0.31 0.00 -1.95 0.00 0.00 55.36 53.91 3ie2 s GLN 342 Cb -1.07 -3.12 -0.08 0.00 -0.22 0.00 0.00 33.01 28.52 3ie2 s GLN 342 CO 0.51 0.68 1.57 -1.25 -0.25 0.00 0.00 175.29 176.56 3ie2 s PRO 343 N -1.55 4.22 0.30 2.91 0.04 -1.26 -4.87 135.00 134.79 3ie2 s PRO 343 Ca 0.24 2.27 -0.29 0.00 0.04 0.00 0.00 61.00 63.26 3ie2 s PRO 343 Cb -0.13 -3.45 -0.13 0.00 0.04 0.00 0.00 34.50 30.83 3ie2 s PRO 343 CO 0.13 -0.65 1.24 0.94 0.04 0.00 0.00 177.00 178.70 3ie2 n GLN 344 N 5.00 1.88 -2.50 4.56 -0.06 -1.26 -3.58 117.38 121.42 3ie2 n GLN 344 Ca 0.15 0.66 -0.02 0.00 -2.00 0.00 0.00 57.00 55.78 3ie2 n GLN 344 Cb 0.41 -2.20 0.00 0.00 -4.06 0.00 0.00 30.24 24.38 3ie2 n GLN 344 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3ie2 n GLY 345 N 1.24 -1.02 3.62 1.69 0.00 -1.26 -5.02 105.19 104.45 3ie2 n GLY 345 Ca 0.08 0.50 -0.02 0.00 0.00 0.00 0.00 46.02 46.58 3ie2 n GLY 345 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie2 s GLY 346 N -2.43 -0.35 0.59 -0.02 0.00 -1.23 -4.98 107.32 98.90 3ie2 s GLY 346 Ca 0.07 0.87 0.29 0.00 0.00 0.00 0.00 44.72 45.96 3ie2 s GLY 346 CO 0.52 0.24 1.66 -2.00 0.00 0.00 0.00 173.10 173.51 3ie2 h LEU 347 N 2.00 0.00 0.14 0.66 5.85 -1.87 0.25 115.31 122.34 3ie2 h LEU 347 Ca -0.22 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3ie2 h LEU 347 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3ie2 h LEU 347 CO 0.27 0.00 -0.07 1.23 -0.34 0.00 0.00 178.44 179.53 3ie2 h GLY 348 N 0.00 -0.19 1.08 3.75 0.00 -1.87 -2.91 103.07 102.93 3ie2 h GLY 348 Ca 0.36 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 3ie2 h GLY 348 CO -0.00 -0.07 0.32 0.00 0.00 0.00 0.00 176.54 176.79 3ie2 h ALA 349 N -0.49 1.08 0.02 3.60 0.00 -1.29 -3.03 119.26 119.14 3ie2 h ALA 349 Ca -0.02 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ie2 h ALA 349 Cb 0.48 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3ie2 h ALA 349 CO 0.03 0.66 -0.45 1.49 0.00 0.00 0.00 179.25 180.98 3ie2 h GLU 350 N 1.15 -0.55 -0.85 0.00 4.81 -0.68 -0.15 114.58 118.30 3ie2 h GLU 350 Ca 0.26 0.04 0.25 0.00 -0.13 0.00 0.00 59.36 59.78 3ie2 h GLU 350 Cb 0.20 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3ie2 h GLU 350 CO -0.02 -0.37 0.65 0.82 -0.73 0.00 0.00 179.01 179.36 3ie2 h ILE 351 N -0.57 0.49 -0.09 2.32 2.04 -1.44 0.63 117.51 120.89 3ie2 h ILE 351 Ca 0.01 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.73 3ie2 h ILE 351 Cb 0.61 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3ie2 h ILE 351 CO -0.29 0.00 -0.53 0.40 0.00 0.00 0.00 178.15 177.73 3ie2 h ILE 352 N 0.00 1.36 0.00 -0.67 2.04 -0.93 -1.49 117.51 117.82 3ie2 h ILE 352 Ca 0.41 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.45 3ie2 h ILE 352 Cb 1.71 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.66 3ie2 h ILE 352 CO -0.00 0.54 0.00 0.00 0.00 0.00 0.00 178.15 178.69 3ie2 n ALA 353 N -2.47 1.36 -3.40 1.87 0.00 0.22 -4.89 120.51 113.19 3ie2 n ALA 353 Ca -0.02 0.12 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 3ie2 n ALA 353 Cb 0.57 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 18.76 3ie2 n ALA 353 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3ie2 n ARG 354 N -2.14 -2.63 -1.12 0.00 3.00 -0.56 -5.00 116.66 108.22 3ie2 n ARG 354 Ca 0.01 0.75 -0.29 0.00 -0.00 0.00 0.00 57.85 58.32 3ie2 n ARG 354 Cb 0.13 -5.40 0.21 0.00 0.00 0.00 0.00 32.46 27.39 3ie2 n ARG 354 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3ie2 s PRO 355 N -4.96 -0.35 0.26 -0.14 0.04 -1.26 -4.92 135.00 123.66 3ie2 s PRO 355 Ca 0.39 0.26 -0.05 0.00 0.04 0.00 0.00 61.00 61.63 3ie2 s PRO 355 Cb -0.07 -1.67 0.30 0.00 0.04 0.00 0.00 34.50 33.09 3ie2 s PRO 355 CO 0.77 -3.20 1.91 -1.00 0.04 0.00 0.00 177.00 175.52 3ie2 h PRO 356 N -2.22 1.22 -3.92 0.56 0.13 -1.94 -3.43 132.00 122.40 3ie2 h PRO 356 Ca -0.51 -0.11 -0.24 0.00 -0.87 0.00 0.00 66.00 64.28 3ie2 h PRO 356 Cb 1.32 -0.26 -0.06 0.00 0.13 0.00 0.00 31.00 32.13 3ie2 h PRO 356 CO 0.48 0.85 -0.09 0.00 -0.23 0.00 0.00 178.00 179.01 3ie2 s ALA 357 N -5.93 0.52 -0.10 -0.56 0.00 -1.26 -2.18 121.76 112.25 3ie2 s ALA 357 Ca -0.12 -1.40 -0.09 0.00 0.00 0.00 0.00 51.96 50.35 3ie2 s ALA 357 Cb 0.17 1.06 0.03 0.00 0.00 0.00 0.00 23.12 24.38 3ie2 s ALA 357 CO 0.82 -0.83 0.26 0.08 0.00 0.00 0.00 175.76 176.09 3ie2 s VAL 358 N -2.82 -0.01 -0.07 0.00 1.01 0.10 -4.83 120.40 113.79 3ie2 s VAL 358 Ca 0.28 0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 3ie2 s VAL 358 Cb -0.01 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 3ie2 s VAL 358 CO 0.19 0.01 1.17 -0.60 0.00 0.00 0.00 175.10 175.87 3ie2 s ARG 359 N 0.34 4.36 -0.24 2.72 3.52 -1.26 -1.50 118.95 126.89 3ie2 s ARG 359 Ca -0.02 1.62 -0.04 0.00 -0.13 0.00 0.00 55.73 57.16 3ie2 s ARG 359 Cb -0.03 -3.56 0.08 0.00 -1.56 0.00 0.00 34.95 29.88 3ie2 s ARG 359 CO -0.01 -0.43 0.10 0.42 -0.81 0.00 0.00 175.30 174.56 3ie2 s ILE 360 N 2.23 0.14 -0.88 4.11 1.01 -1.26 -4.82 121.20 121.73 3ie2 s ILE 360 Ca 0.54 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.57 3ie2 s ILE 360 Cb -0.23 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.29 3ie2 s ILE 360 CO 0.21 -0.50 0.00 0.18 0.00 0.00 0.00 174.94 174.83 3ie2 n LEU 361 N 5.18 -1.32 -2.53 2.97 4.77 -1.26 -3.19 117.00 121.62 3ie2 n LEU 361 Ca -0.06 0.04 -0.11 0.00 -0.03 0.00 0.00 56.01 55.84 3ie2 n LEU 361 Cb 0.45 -1.65 0.06 0.00 -2.33 0.00 0.00 43.42 39.95 3ie2 n LEU 361 CO 0.08 -0.18 0.08 0.61 -1.33 0.00 0.00 177.39 176.65 3ie2 n GLY 362 N -1.15 -0.06 2.70 -0.72 0.00 -1.26 -4.95 105.19 99.74 3ie2 n GLY 362 Ca -0.11 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 3ie2 n GLY 362 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ie2 n GLU 363 N -3.01 1.35 -0.33 1.61 4.07 -1.19 -5.11 120.64 118.03 3ie2 n GLU 363 Ca -0.17 -1.72 -0.15 0.00 -0.06 0.00 0.00 57.16 55.06 3ie2 n GLU 363 Cb 0.60 0.01 -0.03 0.00 -0.06 0.00 0.00 31.44 31.96 3ie2 n GLU 363 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3ie2 n GLU 364 N -1.12 0.00 -4.10 5.31 2.13 -1.26 -4.51 120.64 117.09 3ie2 n GLU 364 Ca -0.10 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.48 3ie2 n GLU 364 Cb 0.86 -0.39 -0.07 0.00 0.27 0.00 0.00 31.44 32.11 3ie2 n GLU 364 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3ie2 s VAL 365 N 1.63 2.56 0.76 6.31 -7.23 -0.56 -4.90 120.40 118.96 3ie2 s VAL 365 Ca 0.31 -1.69 -0.13 0.00 -1.81 0.00 0.00 61.98 58.66 3ie2 s VAL 365 Cb -0.38 -2.97 0.06 0.00 0.56 0.00 0.00 36.38 33.64 3ie2 s VAL 365 CO 0.17 -0.07 1.13 -2.84 -0.31 0.00 0.00 175.10 173.18 3ie2 s PRO 366 N -3.89 2.11 -0.72 4.82 0.02 -1.26 -0.72 135.00 135.35 3ie2 s PRO 366 Ca 0.40 1.44 0.03 0.00 0.02 0.00 0.00 61.00 62.89 3ie2 s PRO 366 Cb 0.01 -1.86 0.31 0.00 0.02 0.00 0.00 34.50 32.98 3ie2 s PRO 366 CO 0.23 -1.79 1.11 -0.11 -0.33 0.00 0.00 177.00 176.10 3ie2 n LEU 367 N -3.20 5.03 0.02 -5.54 7.94 -0.93 -3.72 117.00 116.60 3ie2 n LEU 367 Ca 0.11 -5.53 -0.20 0.00 -1.11 0.00 0.00 56.01 49.28 3ie2 n LEU 367 Cb 0.52 -0.77 -0.14 0.00 0.53 0.00 0.00 43.42 43.56 3ie2 n LEU 367 CO 0.50 2.17 -0.69 0.03 -1.11 0.00 0.00 177.39 178.29 3ie2 h ARG 368 N 3.73 0.26 -6.32 1.96 3.08 -1.44 -3.47 114.38 112.18 3ie2 h ARG 368 Ca 0.23 -0.44 -0.59 0.00 0.07 0.00 0.00 59.98 59.25 3ie2 h ARG 368 Cb 0.52 0.16 0.02 0.00 0.08 0.00 0.00 29.97 30.75 3ie2 h ARG 368 CO 0.94 1.14 1.10 0.00 -1.07 0.00 0.00 179.97 182.08 3ie2 n ALA 369 N -2.89 1.12 -1.65 0.04 0.00 -0.19 -4.41 120.51 112.54 3ie2 n ALA 369 Ca -0.27 0.28 -0.45 0.00 0.00 0.00 0.00 53.44 53.00 3ie2 n ALA 369 Cb 1.05 -2.53 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 3ie2 n ALA 369 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3ie2 n SER 370 N 6.50 3.71 -4.79 0.00 3.41 -0.99 -4.75 113.62 116.70 3ie2 n SER 370 Ca 0.21 0.82 -0.38 0.00 -0.26 0.00 0.00 58.87 59.26 3ie2 n SER 370 Cb 0.32 -1.46 -0.06 0.00 -0.26 0.00 0.00 64.21 62.75 3ie2 n SER 370 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ie2 s VAL 371 N 4.94 5.02 0.06 -3.33 1.01 -1.26 -1.77 120.40 125.07 3ie2 s VAL 371 Ca 0.93 0.97 0.07 0.00 0.00 0.00 0.00 61.98 63.95 3ie2 s VAL 371 Cb -0.54 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.02 3ie2 s VAL 371 CO 0.45 0.48 -0.18 -1.00 0.00 0.00 0.00 175.10 174.85 3ie2 s HIS 372 N -0.47 1.57 -0.05 5.22 3.76 0.29 -4.93 115.29 120.68 3ie2 s HIS 372 Ca 0.26 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 3ie2 s HIS 372 Cb -0.17 -0.90 0.01 0.00 1.11 0.00 0.00 32.58 32.63 3ie2 s HIS 372 CO 0.14 0.11 -0.09 0.99 -0.85 0.00 0.00 174.74 175.03 3ie2 s THR 373 N -0.99 0.87 -0.32 1.30 2.01 -1.26 -2.03 115.64 115.22 3ie2 s THR 373 Ca 0.04 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.73 3ie2 s THR 373 Cb -0.09 -0.81 0.09 0.00 0.01 0.00 0.00 72.50 71.70 3ie2 s THR 373 CO 0.02 0.29 0.02 -0.76 -0.69 0.00 0.00 174.62 173.51 3ie2 s LEU 374 N 0.60 4.16 -0.12 4.42 1.43 -0.47 -4.97 118.68 123.73 3ie2 s LEU 374 Ca -0.11 -1.93 0.04 0.00 -1.03 0.00 0.00 54.13 51.11 3ie2 s LEU 374 Cb -0.14 -1.51 0.32 0.00 0.03 0.00 0.00 46.19 44.89 3ie2 s LEU 374 CO 0.02 -0.34 1.12 0.61 0.23 0.00 0.00 176.35 177.98 3ie2 n GLY 375 N 4.37 2.38 0.08 -3.19 0.00 -1.26 -3.75 105.19 103.82 3ie2 n GLY 375 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 0.13 -0.65 0.02 -0.02 0.00 -1.26 -3.08 105.19 100.33 3ie2 n GLY 376 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.71 0.00 -2.04 1.61 3.01 -1.25 -4.79 117.46 111.29 3ie2 n PHE 377 Ca -0.28 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.76 3ie2 n PHE 377 Cb 0.98 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.42 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 -1.49 6.69 0.00 4.37 0.15 -1.26 -4.82 113.70 117.33 3ie2 s SER 378 Ca 0.00 2.46 0.29 0.00 0.70 0.00 0.00 55.95 59.41 3ie2 s SER 378 Cb 0.00 -2.58 1.72 0.00 -1.71 0.00 0.00 66.02 63.45 3ie2 s SER 378 CO 0.00 -0.76 2.08 0.61 1.20 0.00 0.00 173.24 176.36 3ie2 n GLY 379 N 3.69 -0.95 3.92 9.45 0.00 -1.26 -4.42 105.19 115.62 3ie2 n GLY 379 Ca 0.13 -0.18 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.05 3.43 0.29 1.61 3.76 -1.26 -3.08 115.29 117.98 3ie2 s HIS 380 Ca 0.42 0.08 -0.28 0.00 -0.15 0.00 0.00 55.06 55.13 3ie2 s HIS 380 Cb 0.20 -1.63 -0.09 0.00 1.11 0.00 0.00 32.58 32.17 3ie2 s HIS 380 CO 0.35 0.51 1.01 0.00 -0.85 0.00 0.00 174.74 175.75 3ie2 s ALA 381 N -1.77 3.30 0.56 -1.40 0.00 -0.89 -3.52 121.76 118.04 3ie2 s ALA 381 Ca 0.34 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 3ie2 s ALA 381 Cb -0.11 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3ie2 s ALA 381 CO 0.28 0.03 0.92 0.20 0.00 0.00 0.00 175.76 177.18 3ie2 s GLY 382 N -1.22 1.58 0.25 0.00 0.00 -1.26 -4.31 107.32 102.36 3ie2 s GLY 382 Ca 0.46 -0.33 -0.14 0.00 0.00 0.00 0.00 44.72 44.71 3ie2 s GLY 382 CO 0.33 -0.10 1.56 -1.61 0.00 0.00 0.00 173.10 173.27 3ie2 h GLN 383 N -0.09 -0.01 -0.87 2.90 4.15 -1.07 0.44 115.11 120.56 3ie2 h GLN 383 Ca -0.45 0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.06 3ie2 h GLN 383 Cb 1.20 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.82 3ie2 h GLN 383 CO 0.62 -0.00 0.51 0.38 -1.93 0.00 0.00 178.83 178.41 3ie2 h ASP 384 N -0.01 0.75 -0.10 -0.69 -0.00 -1.89 0.24 116.42 114.72 3ie2 h ASP 384 Ca 0.40 0.04 -0.05 0.00 -0.00 0.00 0.00 57.03 57.42 3ie2 h ASP 384 Cb 0.65 -0.11 -0.00 0.00 -0.00 0.00 0.00 39.33 39.87 3ie2 h ASP 384 CO -0.99 0.43 -0.11 -0.33 -0.00 0.00 0.00 179.24 178.24 3ie2 h GLU 385 N 0.86 0.25 -0.35 4.15 5.08 -0.68 -1.19 114.58 122.71 3ie2 h GLU 385 Ca 0.41 -0.14 0.10 0.00 -1.00 0.00 0.00 59.36 58.73 3ie2 h GLU 385 Cb 0.35 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3ie2 h GLU 385 CO -0.24 0.68 0.27 -0.07 -1.00 0.00 0.00 179.01 178.65 3ie2 h LEU 386 N -0.16 0.00 0.10 1.33 4.07 -0.01 0.90 115.31 121.55 3ie2 h LEU 386 Ca 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.97 3ie2 h LEU 386 Cb 0.64 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.38 3ie2 h LEU 386 CO 0.03 0.00 -0.05 -0.07 -1.08 0.00 0.00 178.44 177.27 3ie2 h LEU 387 N 0.00 -0.12 -0.67 1.67 3.38 -0.76 -2.92 115.31 115.89 3ie2 h LEU 387 Ca 0.17 -0.44 0.14 0.00 0.09 0.00 0.00 57.88 57.83 3ie2 h LEU 387 Cb 0.70 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.36 3ie2 h LEU 387 CO -0.00 0.51 -0.06 0.44 0.09 0.00 0.00 178.44 179.42 3ie2 h ASP 388 N -0.88 -0.43 0.33 -0.43 3.45 0.00 -1.82 116.42 116.64 3ie2 h ASP 388 Ca -0.01 0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.63 3ie2 h ASP 388 Cb 0.55 0.34 -0.03 0.00 -0.56 0.00 0.00 39.33 39.64 3ie2 h ASP 388 CO 0.02 -0.17 -0.43 -0.25 -1.57 0.00 0.00 179.24 176.84 3ie2 h TRP 389 N 0.06 -1.18 0.00 4.55 7.01 -0.95 -2.65 115.95 122.80 3ie2 h TRP 389 Ca 0.34 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.36 3ie2 h TRP 389 Cb 0.56 0.47 0.00 0.00 -2.10 0.00 0.00 29.16 28.09 3ie2 h TRP 389 CO -0.45 -0.56 0.00 1.28 -2.79 0.00 0.00 178.44 175.92 3ie2 n LEU 390 N -5.50 0.00 -4.68 0.65 4.32 -0.74 -4.65 117.00 106.40 3ie2 n LEU 390 Ca -0.10 0.24 -0.45 0.00 -0.02 0.00 0.00 56.01 55.68 3ie2 n LEU 390 Cb 0.40 -0.24 -0.04 0.00 -1.62 0.00 0.00 43.42 41.92 3ie2 n LEU 390 CO 0.25 -0.19 1.34 1.67 -1.22 0.00 0.00 177.39 179.24 3ie2 n GLN 391 N -1.24 2.35 0.00 3.23 0.00 -0.90 -1.73 117.38 119.10 3ie2 n GLN 391 Ca 0.03 0.85 0.00 0.00 -0.00 0.00 0.00 57.00 57.89 3ie2 n GLN 391 Cb 0.05 -2.68 0.00 0.00 0.00 0.00 0.00 30.24 27.61 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 3.88 3.13 3.68 1.69 0.00 -1.26 -5.03 105.19 111.28 3ie2 n GLY 392 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3ie2 n GLY 392 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie2 s GLU 393 N -0.35 4.24 0.04 1.61 0.41 -0.70 -4.95 118.70 118.99 3ie2 s GLU 393 Ca 0.00 2.06 -0.26 0.00 -0.41 0.00 0.00 54.97 56.36 3ie2 s GLU 393 Cb 0.00 -3.69 -0.17 0.00 -1.78 0.00 0.00 34.13 28.49 3ie2 s GLU 393 CO 0.00 -0.68 1.43 -1.00 -0.49 0.00 0.00 175.26 174.52 3ie2 h PRO 394 N 8.36 -0.37 -6.47 0.39 0.13 -1.89 -3.45 132.00 128.69 3ie2 h PRO 394 Ca -0.38 0.03 -0.61 0.00 -0.87 0.00 0.00 66.00 64.16 3ie2 h PRO 394 Cb 1.18 0.08 -0.22 0.00 0.13 0.00 0.00 31.00 32.17 3ie2 h PRO 394 CO 0.93 -0.12 -0.85 0.50 -0.23 0.00 0.00 178.00 178.23 3ie2 s ARG 395 N -5.26 1.25 0.10 0.86 3.52 -1.26 -1.52 118.95 116.63 3ie2 s ARG 395 Ca -0.15 -1.23 -0.07 0.00 -0.13 0.00 0.00 55.73 54.15 3ie2 s ARG 395 Cb 0.03 -1.60 -0.01 0.00 -1.56 0.00 0.00 34.95 31.81 3ie2 s ARG 395 CO 0.60 0.38 0.16 0.08 -0.81 0.00 0.00 175.30 175.71 3ie2 s VAL 396 N -1.11 0.14 -0.22 7.11 1.01 0.90 -3.12 120.40 125.12 3ie2 s VAL 396 Ca 0.10 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 3ie2 s VAL 396 Cb -0.10 -1.49 0.10 0.00 0.00 0.00 0.00 36.38 34.89 3ie2 s VAL 396 CO 0.05 -0.64 0.22 -0.69 0.00 0.00 0.00 175.10 174.04 3ie2 s VAL 397 N -3.90 -0.31 0.36 2.92 1.01 -1.25 -2.78 120.40 116.46 3ie2 s VAL 397 Ca 0.08 -0.21 -0.26 0.00 0.00 0.00 0.00 61.98 61.59 3ie2 s VAL 397 Cb 0.05 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.61 3ie2 s VAL 397 CO -0.08 -0.28 1.13 -0.76 0.00 0.00 0.00 175.10 175.11 3ie2 s LEU 398 N 2.31 4.30 0.28 3.92 1.02 -0.52 -1.49 118.68 128.50 3ie2 s LEU 398 Ca 0.07 2.27 -0.13 0.00 0.02 0.00 0.00 54.13 56.37 3ie2 s LEU 398 Cb -0.16 -3.93 0.00 0.00 0.02 0.00 0.00 46.19 42.13 3ie2 s LEU 398 CO -0.16 -0.48 0.54 0.68 0.02 0.00 0.00 176.35 176.95 3ie2 s VAL 399 N -1.38 0.00 -0.28 -1.59 -7.23 0.80 -2.13 120.40 108.59 3ie2 s VAL 399 Ca 0.53 -1.34 -0.02 0.00 -1.81 0.00 0.00 61.98 59.34 3ie2 s VAL 399 Cb -0.30 -2.29 0.01 0.00 0.56 0.00 0.00 36.38 34.36 3ie2 s VAL 399 CO 0.38 0.00 0.03 0.52 -0.31 0.00 0.00 175.10 175.72 3ie2 n VAL 400 N -0.43-11.63 0.00 1.32 0.31 -0.95 -1.90 118.33 105.06 3ie2 n VAL 400 Ca -0.02 1.87 0.00 0.00 -0.01 0.00 0.00 64.34 66.18 3ie2 n VAL 400 Cb 0.61 -6.73 0.00 0.00 -0.91 0.00 0.00 33.84 26.81 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 0.79 3.61 3.80 2.92 0.00 0.43 -1.86 105.19 114.89 3ie2 n GLY 401 Ca -0.05 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.39 4.02 0.16 1.61 2.02 -1.26 -0.00 118.70 122.86 3ie2 s GLU 402 Ca 0.00 1.29 -0.23 0.00 0.02 0.00 0.00 54.97 56.05 3ie2 s GLU 402 Cb 0.00 -2.20 0.04 0.00 0.10 0.00 0.00 34.13 32.08 3ie2 s GLU 402 CO 0.00 -0.23 1.61 0.93 0.02 0.00 0.00 175.26 177.59 3ie2 h GLU 403 N 1.84 -0.25 -0.94 1.61 5.08 -1.94 0.16 114.58 120.14 3ie2 h GLU 403 Ca -0.49 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.08 3ie2 h GLU 403 Cb 1.20 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 30.40 3ie2 h GLU 403 CO 0.60 -0.16 0.52 0.93 -1.00 0.00 0.00 179.01 179.90 3ie2 h GLU 404 N -0.26 0.62 0.16 2.33 3.07 -1.93 1.11 114.58 119.68 3ie2 h GLU 404 Ca 0.15 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 3ie2 h GLU 404 Cb 0.50 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3ie2 h GLU 404 CO -0.45 0.41 -0.08 0.87 -1.40 0.00 0.00 179.01 178.36 3ie2 h LYS 405 N 0.63 -0.21 0.94 2.33 1.79 -1.54 -1.72 116.57 118.79 3ie2 h LYS 405 Ca 0.55 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.99 3ie2 h LYS 405 Cb 0.90 0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.61 3ie2 h LYS 405 CO -0.42 0.14 -0.45 -0.07 -1.08 0.00 0.00 179.45 177.57 3ie2 h LEU 406 N -0.60 -1.07 -0.90 2.94 4.07 0.54 -2.66 115.31 117.63 3ie2 h LEU 406 Ca -0.02 0.04 0.25 0.00 0.08 0.00 0.00 57.88 58.22 3ie2 h LEU 406 Cb 0.45 0.28 -0.15 0.00 1.08 0.00 0.00 40.66 42.32 3ie2 h LEU 406 CO 0.04 -0.75 0.28 -0.07 -1.08 0.00 0.00 178.44 176.85 3ie2 h LEU 407 N -1.29 0.05 0.00 1.67 -0.00 0.11 0.53 115.31 116.39 3ie2 h LEU 407 Ca -0.13 0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 3ie2 h LEU 407 Cb 0.97 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.89 3ie2 h LEU 407 CO 0.21 -0.17 0.00 0.00 -0.00 0.00 0.00 178.44 178.49 3ie2 n ALA 408 N -2.66 -0.07 -0.34 1.53 0.00 -0.65 -1.30 120.51 117.01 3ie2 n ALA 408 Ca 0.23 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.86 3ie2 n ALA 408 Cb 0.74 0.19 0.42 0.00 0.00 0.00 0.00 19.45 20.80 3ie2 n ALA 408 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3ie2 h LEU 409 N 0.00 0.62 -0.66 0.00 6.46 -1.10 -0.14 115.31 120.49 3ie2 h LEU 409 Ca 0.00 0.13 0.08 0.00 -0.12 0.00 0.00 57.88 57.98 3ie2 h LEU 409 Cb 0.00 0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 39.86 3ie2 h LEU 409 CO 0.00 0.08 -0.49 1.23 -0.62 0.00 0.00 178.44 178.63 3ie2 h GLY 410 N 0.52 -0.63 0.49 3.75 0.00 0.10 0.90 103.07 108.21 3ie2 h GLY 410 Ca 0.65 0.65 0.11 0.00 0.00 0.00 0.00 47.33 48.73 3ie2 h GLY 410 CO -0.46 -0.11 0.54 1.70 0.00 0.00 0.00 176.54 178.22 3ie2 h LYS 411 N -0.21 0.86 -0.98 4.80 3.64 0.33 -1.30 116.57 123.71 3ie2 h LYS 411 Ca 0.16 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.51 3ie2 h LYS 411 Cb 0.54 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 3ie2 h LYS 411 CO -0.74 0.57 0.65 -0.07 -2.27 0.00 0.00 179.45 177.58 3ie2 h LEU 412 N 0.88 1.11 -0.30 5.20 3.38 -0.78 -0.54 115.31 124.26 3ie2 h LEU 412 Ca 0.44 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.27 3ie2 h LEU 412 Cb 0.42 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3ie2 h LEU 412 CO -0.26 0.79 -0.28 -0.07 0.09 0.00 0.00 178.44 178.71 3ie2 h LEU 413 N 1.30 0.76 -0.15 1.67 3.38 -0.25 -3.13 115.31 118.88 3ie2 h LEU 413 Ca 0.37 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.92 3ie2 h LEU 413 Cb -0.10 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.39 3ie2 h LEU 413 CO -0.09 1.07 -0.13 0.00 0.09 0.00 0.00 178.44 179.37 3ie2 h ALA 414 N 0.71 -0.02 -0.86 1.53 0.00 -0.67 -0.61 119.26 119.35 3ie2 h ALA 414 Ca 0.05 0.06 0.23 0.00 0.00 0.00 0.00 54.91 55.25 3ie2 h ALA 414 Cb 0.85 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3ie2 h ALA 414 CO 0.07 -0.57 0.60 -0.07 0.00 0.00 0.00 179.25 179.28 3ie2 h LEU 415 N -0.15 0.10 0.00 0.00 3.38 -1.09 0.59 115.31 118.14 3ie2 h LEU 415 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3ie2 h LEU 415 Cb 0.29 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3ie2 h LEU 415 CO -0.24 0.04 -0.08 -1.14 0.09 0.00 0.00 178.44 177.10 3ie2 n ARG 416 N -4.34 0.13 -0.03 1.13 0.63 -0.28 -4.91 116.66 108.98 3ie2 n ARG 416 Ca 0.18 0.10 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 3ie2 n ARG 416 Cb 0.86 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 32.13 3ie2 n ARG 416 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ie2 n GLY 417 N 1.41 1.07 3.57 5.14 0.00 0.21 -5.08 105.19 111.50 3ie2 n GLY 417 Ca 0.06 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.15 3.76 -0.45 1.61 -0.21 -0.91 -5.01 119.66 118.29 3ie2 s GLN 418 Ca 0.00 -0.43 -0.26 0.00 0.02 0.00 0.00 55.36 54.68 3ie2 s GLN 418 Cb 0.00 -3.72 -0.07 0.00 1.00 0.00 0.00 33.01 30.22 3ie2 s GLN 418 CO 0.00 -0.30 2.38 -2.00 -2.12 0.00 0.00 175.29 173.24 3ie2 s GLU 419 N 1.77 2.25 0.22 2.91 2.12 -0.58 -4.00 118.70 123.40 3ie2 s GLU 419 Ca 0.07 1.49 0.11 0.00 0.36 0.00 0.00 54.97 57.00 3ie2 s GLU 419 Cb -0.17 -4.55 -0.05 0.00 0.26 0.00 0.00 34.13 29.63 3ie2 s GLU 419 CO 0.11 -3.11 -0.21 0.54 -0.54 0.00 0.00 175.26 172.05 3ie2 s VAL 420 N 11.62 2.31 0.09 3.70 0.11 -1.26 -0.07 120.40 136.90 3ie2 s VAL 420 Ca 0.98 -2.17 -0.26 0.00 -2.93 0.00 0.00 61.98 57.59 3ie2 s VAL 420 Cb -0.19 -2.16 0.08 0.00 -1.53 0.00 0.00 36.38 32.58 3ie2 s VAL 420 CO 0.27 -0.27 0.93 -0.94 -3.33 0.00 0.00 175.10 171.77 3ie2 s SER 421 N -3.02 -0.25 0.08 3.54 1.04 -1.12 -4.96 113.70 109.02 3ie2 s SER 421 Ca 0.24 -0.25 -0.05 0.00 0.48 0.00 0.00 55.95 56.37 3ie2 s SER 421 Cb -0.06 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 3ie2 s SER 421 CO 0.11 -0.79 0.32 -0.76 0.98 0.00 0.00 173.24 173.10 3ie2 s LEU 422 N -2.78 4.32 -0.08 2.42 1.02 -1.26 -1.43 118.68 120.89 3ie2 s LEU 422 Ca 0.09 0.56 -0.27 0.00 0.02 0.00 0.00 54.13 54.54 3ie2 s LEU 422 Cb -0.01 -3.03 -0.03 0.00 0.02 0.00 0.00 46.19 43.14 3ie2 s LEU 422 CO -0.02 0.14 0.86 0.00 0.02 0.00 0.00 176.35 177.35 3ie2 s ALA 423 N -1.50 3.34 -0.16 4.21 0.00 -0.90 -4.89 121.76 121.86 3ie2 s ALA 423 Ca 0.35 0.26 -0.06 0.00 0.00 0.00 0.00 51.96 52.52 3ie2 s ALA 423 Cb -0.13 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3ie2 s ALA 423 CO 0.22 -0.36 0.03 1.03 0.00 0.00 0.00 175.76 176.68 3ie2 s ARG 424 N 1.39 3.74 0.22 0.00 0.52 -1.26 -4.07 118.95 119.49 3ie2 s ARG 424 Ca 0.44 -0.39 -0.29 0.00 -0.52 0.00 0.00 55.73 54.97 3ie2 s ARG 424 Cb -0.18 -3.08 -0.16 0.00 0.52 0.00 0.00 34.95 32.05 3ie2 s ARG 424 CO 0.19 0.35 0.81 0.34 0.02 0.00 0.00 175.30 177.01 3ie2 n PHE 425 N 3.26 0.45 -0.18 -0.53 7.35 -1.26 -0.91 117.46 125.64 3ie2 n PHE 425 Ca -0.17 0.84 0.00 0.00 -0.76 0.00 0.00 57.45 57.36 3ie2 n PHE 425 Cb 0.53 -2.11 0.00 0.00 0.35 0.00 0.00 39.48 38.24 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 1.67 0.06 3.54 7.13 0.00 -1.23 -4.90 105.19 111.47 3ie2 n GLY 426 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.34 3.40 1.19 1.61 2.02 -0.09 -4.86 118.70 121.62 3ie2 s GLU 427 Ca 0.00 -0.11 -0.16 0.00 0.02 0.00 0.00 54.97 54.72 3ie2 s GLU 427 Cb 0.00 -3.94 0.24 0.00 0.10 0.00 0.00 34.13 30.53 3ie2 s GLU 427 CO 0.00 -1.13 0.64 0.41 0.02 0.00 0.00 175.26 175.20 3ie2 n GLY 428 N 4.99 -2.38 3.27 -1.39 0.00 -1.26 -4.17 105.19 104.25 3ie2 n GLY 428 Ca 0.02 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 3ie2 n GLY 428 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ie2 s VAL 429 N -2.31 -0.27 0.86 1.61 1.01 -0.23 -4.96 120.40 116.11 3ie2 s VAL 429 Ca 0.64 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 3ie2 s VAL 429 Cb -0.20 -0.64 0.11 0.00 0.00 0.00 0.00 36.38 35.65 3ie2 s VAL 429 CO 0.65 0.05 1.09 -2.16 0.00 0.00 0.00 175.10 174.73 3ie2 s PRO 430 N 1.89 1.55 0.00 2.72 0.04 -1.26 -1.18 135.00 138.75 3ie2 s PRO 430 Ca -0.06 0.90 0.01 0.00 0.04 0.00 0.00 61.00 61.88 3ie2 s PRO 430 Cb -0.10 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.61 3ie2 s PRO 430 CO -0.13 -2.06 0.52 0.28 0.04 0.00 0.00 177.00 175.65