#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ie1 s ARG 2 N 0.00 0.42 -0.20 2.12 1.70 -0.75 -0.81 118.95 121.43 3ie1 s ARG 2 Ca 0.00 -0.58 0.01 0.00 -0.47 0.00 0.00 55.73 54.69 3ie1 s ARG 2 Cb 0.00 -0.19 0.02 0.00 -0.57 0.00 0.00 34.95 34.21 3ie1 s ARG 2 CO 0.00 0.03 -0.17 -1.50 -1.08 0.00 0.00 175.30 172.58 3ie1 s ILE 3 N -1.10 2.18 -0.38 4.99 1.10 -0.62 -0.01 121.20 127.37 3ie1 s ILE 3 Ca -0.09 -1.01 -0.12 0.00 -0.51 0.00 0.00 60.65 58.93 3ie1 s ILE 3 Cb -0.08 -1.98 0.03 0.00 0.15 0.00 0.00 42.46 40.58 3ie1 s ILE 3 CO -0.00 0.45 0.23 -0.69 -2.11 0.00 0.00 174.94 172.81 3ie1 s VAL 4 N 1.28 4.72 0.75 4.00 1.01 -0.92 -2.29 120.40 128.94 3ie1 s VAL 4 Ca 0.03 -0.82 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 3ie1 s VAL 4 Cb -0.14 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.65 3ie1 s VAL 4 CO -0.11 -0.25 1.23 -2.84 0.00 0.00 0.00 175.10 173.13 3ie1 s PRO 5 N 1.58 1.99 -0.00 2.72 0.02 -1.26 -2.17 135.00 137.87 3ie1 s PRO 5 Ca 0.03 1.86 0.10 0.00 0.02 0.00 0.00 61.00 63.00 3ie1 s PRO 5 Cb -0.19 -1.80 0.17 0.00 0.02 0.00 0.00 34.50 32.69 3ie1 s PRO 5 CO 0.07 -1.97 1.07 1.19 -0.33 0.00 0.00 177.00 177.03 3ie1 n PHE 6 N -2.78 -0.01 0.00 6.54 3.72 0.08 -2.06 117.46 122.94 3ie1 n PHE 6 Ca 0.14 -0.52 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 3ie1 n PHE 6 Cb 0.50 0.26 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 3ie1 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ie1 n GLY 7 N 0.17 1.38 2.24 1.37 0.00 -1.25 -4.60 105.19 104.50 3ie1 n GLY 7 Ca -0.15 -1.13 -0.16 0.00 0.00 0.00 0.00 46.02 44.59 3ie1 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie1 n ALA 8 N -0.94 -0.24 -2.61 4.61 0.00 0.39 -4.39 120.51 117.33 3ie1 n ALA 8 Ca 0.00 0.25 -0.43 0.00 0.00 0.00 0.00 53.44 53.26 3ie1 n ALA 8 Cb 0.00 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 3ie1 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ie1 s ALA 9 N -2.31 3.39 -1.37 0.00 0.00 -1.26 -1.31 121.76 118.90 3ie1 s ALA 9 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.61 3ie1 s ALA 9 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3ie1 s ALA 9 CO 0.00 -1.69 0.00 0.54 0.00 0.00 0.00 175.76 174.61 3ie1 n ARG 10 N 6.99 -1.73 -2.31 0.00 1.74 -1.21 -4.86 116.66 115.28 3ie1 n ARG 10 Ca 0.09 0.77 -0.05 0.00 -0.77 0.00 0.00 57.85 57.89 3ie1 n ARG 10 Cb 0.48 -5.22 -0.00 0.00 -1.02 0.00 0.00 32.46 26.70 3ie1 n ARG 10 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3ie1 n GLU 11 N -2.43 0.35 -0.09 5.56 0.28 0.59 -3.46 120.64 121.44 3ie1 n GLU 11 Ca -0.16 -0.99 -0.18 0.00 -0.16 0.00 0.00 57.16 55.67 3ie1 n GLU 11 Cb 0.56 1.07 -0.07 0.00 1.43 0.00 0.00 31.44 34.43 3ie1 n GLU 11 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3ie1 n VAL 12 N -0.22 1.01 -1.08 3.84 0.24 -1.25 0.19 118.33 121.05 3ie1 n VAL 12 Ca -0.01 -0.28 -0.29 0.00 -2.04 0.00 0.00 64.34 61.71 3ie1 n VAL 12 Cb 0.23 -1.62 0.16 0.00 -1.47 0.00 0.00 33.84 31.14 3ie1 n VAL 12 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ie1 s THR 13 N -2.34 2.44 -0.71 3.34 -4.23 -1.26 -4.28 115.64 108.60 3ie1 s THR 13 Ca -0.25 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 3ie1 s THR 13 Cb 0.09 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3ie1 s THR 13 CO 0.34 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 3ie1 n GLY 14 N -0.79 0.87 3.62 3.99 0.00 -0.50 -0.47 105.19 111.92 3ie1 n GLY 14 Ca 0.06 -0.49 -0.56 0.00 0.00 0.00 0.00 46.02 45.04 3ie1 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ie1 n SER 15 N 0.34 1.47 -3.15 1.61 7.64 -1.09 -3.70 113.62 116.74 3ie1 n SER 15 Ca -0.07 1.12 0.05 0.00 1.01 0.00 0.00 58.87 60.99 3ie1 n SER 15 Cb 0.27 -1.10 -0.00 0.00 -1.01 0.00 0.00 64.21 62.37 3ie1 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ie1 s ALA 16 N 1.38 -3.47 -0.23 -0.43 0.00 -1.26 0.52 121.76 118.27 3ie1 s ALA 16 Ca 0.91 1.34 0.02 0.00 0.00 0.00 0.00 51.96 54.23 3ie1 s ALA 16 Cb -1.09 -2.66 0.05 0.00 0.00 0.00 0.00 23.12 19.41 3ie1 s ALA 16 CO 0.57 -1.86 -0.13 -1.01 0.00 0.00 0.00 175.76 173.32 3ie1 s HIS 17 N 2.92 3.00 -0.64 0.00 0.09 -0.49 -0.74 115.29 119.43 3ie1 s HIS 17 Ca 0.17 -2.03 -0.27 0.00 -0.00 0.00 0.00 55.06 52.94 3ie1 s HIS 17 Cb -0.06 -1.88 0.04 0.00 -0.00 0.00 0.00 32.58 30.67 3ie1 s HIS 17 CO -0.21 -0.84 1.17 -1.17 -0.00 0.00 0.00 174.74 173.69 3ie1 s LEU 18 N 1.20 3.52 -0.04 0.89 2.96 -0.92 0.04 118.68 126.32 3ie1 s LEU 18 Ca -0.04 -0.26 -0.30 0.00 -0.22 0.00 0.00 54.13 53.31 3ie1 s LEU 18 Cb -0.17 -2.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.65 3ie1 s LEU 18 CO -0.08 -1.57 1.09 -0.22 -1.32 0.00 0.00 176.35 174.25 3ie1 s LEU 19 N 5.01 4.30 -0.61 -0.68 2.96 0.14 -2.16 118.68 127.65 3ie1 s LEU 19 Ca 0.36 1.72 0.00 0.00 -0.22 0.00 0.00 54.13 55.99 3ie1 s LEU 19 Cb -0.09 -3.56 0.15 0.00 0.50 0.00 0.00 46.19 43.19 3ie1 s LEU 19 CO 0.19 -0.45 0.39 -0.76 -1.32 0.00 0.00 176.35 174.41 3ie1 s LEU 20 N 1.70 4.88 0.00 -0.68 1.43 0.99 -0.43 118.68 126.56 3ie1 s LEU 20 Ca 0.53 -3.02 0.05 0.00 -1.03 0.00 0.00 54.13 50.66 3ie1 s LEU 20 Cb -0.22 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 3ie1 s LEU 20 CO 0.23 -0.29 0.20 0.00 0.23 0.00 0.00 176.35 176.72 3ie1 n ALA 21 N 3.20 0.56 -1.67 4.21 0.00 -0.88 -1.81 120.51 124.12 3ie1 n ALA 21 Ca 0.08 -1.67 -0.00 0.00 0.00 0.00 0.00 53.44 51.85 3ie1 n ALA 21 Cb 0.35 1.27 -0.00 0.00 0.00 0.00 0.00 19.45 21.08 3ie1 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie1 n GLY 22 N -0.46 -0.00 2.25 0.00 0.00 -1.26 0.12 105.19 105.83 3ie1 n GLY 22 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3ie1 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie1 n GLY 23 N -0.58 -0.08 3.16 -0.02 0.00 -1.26 -3.96 105.19 102.46 3ie1 n GLY 23 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 3ie1 n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie1 s ARG 24 N -4.56 0.66 -0.24 1.61 1.81 0.32 -5.01 118.95 113.54 3ie1 s ARG 24 Ca 0.00 -0.62 0.01 0.00 -1.72 0.00 0.00 55.73 53.40 3ie1 s ARG 24 Cb 0.00 0.27 0.04 0.00 -0.45 0.00 0.00 34.95 34.81 3ie1 s ARG 24 CO 0.00 -0.18 -0.10 1.03 -0.68 0.00 0.00 175.30 175.36 3ie1 s ARG 25 N -2.43 2.59 -0.19 3.54 0.52 -1.26 -2.06 118.95 119.65 3ie1 s ARG 25 Ca -0.06 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 54.03 3ie1 s ARG 25 Cb -0.02 -2.88 0.02 0.00 0.52 0.00 0.00 34.95 32.59 3ie1 s ARG 25 CO -0.03 -0.45 -0.17 0.08 0.02 0.00 0.00 175.30 174.74 3ie1 s VAL 26 N 1.22 2.21 -0.28 3.52 1.01 0.42 -0.45 120.40 128.05 3ie1 s VAL 26 Ca -0.03 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.72 3ie1 s VAL 26 Cb -0.18 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.23 3ie1 s VAL 26 CO -0.06 0.46 0.87 -0.22 0.00 0.00 0.00 175.10 176.16 3ie1 s LEU 27 N 1.29 4.06 -0.54 3.92 0.20 0.21 0.25 118.68 128.07 3ie1 s LEU 27 Ca 0.03 0.93 -0.20 0.00 0.69 0.00 0.00 54.13 55.58 3ie1 s LEU 27 Cb -0.14 -3.24 0.06 0.00 -0.43 0.00 0.00 46.19 42.44 3ie1 s LEU 27 CO -0.11 -0.63 0.73 -0.76 -0.29 0.00 0.00 176.35 175.29 3ie1 s LEU 28 N 3.06 4.78 0.10 -0.68 1.02 0.11 -1.09 118.68 125.96 3ie1 s LEU 28 Ca 0.37 -0.86 0.00 0.00 0.02 0.00 0.00 54.13 53.65 3ie1 s LEU 28 Cb -0.14 -2.51 0.00 0.00 0.02 0.00 0.00 46.19 43.56 3ie1 s LEU 28 CO 0.10 -1.04 0.00 0.47 0.02 0.00 0.00 176.35 175.90 3ie1 n ASP 29 N 6.61 -1.86 -2.69 2.29 8.00 0.20 -1.40 116.55 127.70 3ie1 n ASP 29 Ca -0.05 0.19 -0.05 0.00 0.71 0.00 0.00 54.79 55.59 3ie1 n ASP 29 Cb 0.45 -0.99 0.09 0.00 -0.02 0.00 0.00 41.12 40.66 3ie1 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ie1 s GLY 31 N -0.61 2.26 0.36 0.00 0.00 0.18 -0.66 107.32 108.85 3ie1 s GLY 31 Ca 0.19 -0.05 -0.16 0.00 0.00 0.00 0.00 44.72 44.71 3ie1 s GLY 31 CO -0.13 0.14 0.79 -3.16 0.00 0.00 0.00 173.10 170.74 3ie1 s MET 32 N -3.09 4.01 0.19 2.90 0.23 -1.02 -3.68 119.30 118.85 3ie1 s MET 32 Ca 0.53 0.74 -0.30 0.00 -1.03 0.00 0.00 55.69 55.63 3ie1 s MET 32 Cb -0.10 -2.37 -0.08 0.00 -1.53 0.00 0.00 34.83 30.75 3ie1 s MET 32 CO 0.20 0.08 1.00 -0.06 -2.03 0.00 0.00 175.02 174.21 3ie1 s PHE 33 N -2.09 3.81 -0.07 3.16 0.08 -1.26 -1.41 117.98 120.20 3ie1 s PHE 33 Ca 0.55 1.79 0.02 0.00 0.12 0.00 0.00 56.93 59.41 3ie1 s PHE 33 Cb -0.10 -3.10 0.02 0.00 -0.57 0.00 0.00 43.02 39.27 3ie1 s PHE 33 CO 0.19 0.05 -0.10 -0.65 -0.10 0.00 0.00 175.22 174.61 3ie1 s GLN 34 N -0.69 1.48 0.00 0.44 -0.21 -1.26 -4.36 119.66 115.07 3ie1 s GLN 34 Ca 0.45 -0.32 0.00 0.00 0.02 0.00 0.00 55.36 55.50 3ie1 s GLN 34 Cb -0.27 -1.30 0.00 0.00 1.00 0.00 0.00 33.01 32.45 3ie1 s GLN 34 CO 0.33 -0.03 0.00 0.41 -2.12 0.00 0.00 175.29 173.88 3ie1 n GLY 35 N 4.00 0.76 0.00 3.09 0.00 -1.26 -4.59 105.19 107.18 3ie1 n GLY 35 Ca -0.22 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3ie1 n GLY 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ie1 n LYS 36 N 0.00 0.00 0.00 1.61 5.02 -1.26 -2.09 118.16 121.44 3ie1 n LYS 36 Ca 0.00 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 3ie1 n LYS 36 Cb 0.00 -1.56 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 3ie1 n LYS 36 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 3ie1 n GLU 37 N -1.38 0.97 0.33 1.97 0.00 -1.26 -4.82 120.64 116.44 3ie1 n GLU 37 Ca 0.00 -0.80 0.06 0.00 0.00 0.00 0.00 57.16 56.41 3ie1 n GLU 37 Cb 0.06 -0.69 0.30 0.00 0.00 0.00 0.00 31.44 31.11 3ie1 n GLU 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 3ie1 h GLU 38 N 0.00 0.00 -0.68 3.44 4.39 -1.62 0.28 114.58 120.39 3ie1 h GLU 38 Ca 0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3ie1 h GLU 38 Cb 0.76 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 3ie1 h GLU 38 CO 0.00 0.00 0.45 0.00 -1.16 0.00 0.00 179.01 178.30 3ie1 h ALA 39 N 0.50 0.87 -0.83 3.43 0.00 -1.88 -2.52 119.26 118.83 3ie1 h ALA 39 Ca 0.00 -0.04 0.24 0.00 0.00 0.00 0.00 54.91 55.11 3ie1 h ALA 39 Cb 1.49 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 3ie1 h ALA 39 CO 0.00 0.27 0.67 0.00 0.00 0.00 0.00 179.25 180.19 3ie1 h ARG 40 N 0.91 0.00 0.00 0.00 3.08 -0.82 -0.05 114.38 117.50 3ie1 h ARG 40 Ca 0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3ie1 h ARG 40 Cb -0.08 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.97 3ie1 h ARG 40 CO -0.06 0.00 -0.03 -0.91 -1.07 0.00 0.00 179.97 177.90 3ie1 h ASN 41 N 0.00 0.00 0.86 7.04 -0.26 -1.62 -0.34 115.58 121.25 3ie1 h ASN 41 Ca 0.39 0.00 -0.12 0.00 -0.56 0.00 0.00 56.30 56.02 3ie1 h ASN 41 Cb 1.72 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 38.96 3ie1 h ASN 41 CO -0.00 0.03 -1.21 0.45 -1.06 0.00 0.00 177.43 175.63 3ie1 h HIS 42 N 0.00 0.00 -4.16 1.19 3.86 -1.18 -3.47 115.15 111.39 3ie1 h HIS 42 Ca -0.00 0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.74 3ie1 h HIS 42 Cb 0.08 0.00 0.13 0.00 1.06 0.00 0.00 27.41 28.68 3ie1 h HIS 42 CO 0.00 0.41 0.28 0.00 0.86 0.00 0.00 177.93 179.48 3ie1 s ALA 43 N -3.05 1.76 0.98 2.45 0.00 -0.14 -5.04 121.76 118.73 3ie1 s ALA 43 Ca -0.02 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.56 3ie1 s ALA 43 Cb 0.09 -3.11 0.18 0.00 0.00 0.00 0.00 23.12 20.27 3ie1 s ALA 43 CO 0.80 -2.19 1.10 -1.25 0.00 0.00 0.00 175.76 174.22 3ie1 s PRO 44 N -5.10 0.56 -0.03 0.00 0.04 -1.26 -4.99 135.00 124.22 3ie1 s PRO 44 Ca 0.63 0.50 -0.24 0.00 0.04 0.00 0.00 61.00 61.92 3ie1 s PRO 44 Cb -0.16 -1.75 -0.21 0.00 0.04 0.00 0.00 34.50 32.41 3ie1 s PRO 44 CO 0.55 -2.64 1.11 0.74 0.04 0.00 0.00 177.00 176.81 3ie1 h PHE 45 N -1.82 0.24 0.00 0.56 0.04 -1.96 -3.48 116.94 110.52 3ie1 h PHE 45 Ca -0.54 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.12 3ie1 h PHE 45 Cb 1.33 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 39.44 3ie1 h PHE 45 CO 0.30 0.84 0.00 0.41 -0.60 0.00 0.00 178.31 179.26 3ie1 n GLY 46 N 0.79 0.94 3.23 -1.45 0.00 -1.26 -4.98 105.19 102.46 3ie1 n GLY 46 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 3ie1 n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ie1 s PHE 47 N -2.00 -0.09 -0.41 1.61 -0.71 -1.26 -5.05 117.98 110.07 3ie1 s PHE 47 Ca 0.00 0.00 -0.29 0.00 -1.04 0.00 0.00 56.93 55.60 3ie1 s PHE 47 Cb 0.00 0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.90 3ie1 s PHE 47 CO 0.00 -0.45 1.13 0.34 -1.34 0.00 0.00 175.22 174.90 3ie1 s ASP 48 N -1.85 6.73 0.23 1.98 2.15 -1.26 -4.91 116.67 119.74 3ie1 s ASP 48 Ca -0.08 0.71 -0.05 0.00 0.43 0.00 0.00 52.55 53.56 3ie1 s ASP 48 Cb -0.02 -2.55 0.24 0.00 -0.30 0.00 0.00 42.92 40.29 3ie1 s ASP 48 CO -0.01 -1.12 1.76 1.55 -0.17 0.00 0.00 175.17 177.18 3ie1 h PRO 49 N 8.87 1.01 0.00 4.34 0.13 -1.96 -2.31 132.00 142.09 3ie1 h PRO 49 Ca -0.22 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3ie1 h PRO 49 Cb 1.06 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3ie1 h PRO 49 CO 1.09 0.90 0.00 1.63 -0.23 0.00 0.00 178.00 181.39 3ie1 n LYS 50 N -4.24 0.12 -0.12 0.86 5.02 -1.26 -1.66 118.16 116.87 3ie1 n LYS 50 Ca 0.05 0.49 0.12 0.00 -2.02 0.00 0.00 58.31 56.94 3ie1 n LYS 50 Cb 0.25 -1.79 0.20 0.00 -0.02 0.00 0.00 35.03 33.66 3ie1 n LYS 50 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ie1 n GLU 51 N -2.02 2.39 -2.87 1.97 -0.58 -0.87 -4.93 120.64 113.73 3ie1 n GLU 51 Ca 0.01 -2.07 -0.33 0.00 -0.42 0.00 0.00 57.16 54.34 3ie1 n GLU 51 Cb 0.12 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.43 3ie1 n GLU 51 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ie1 s VAL 52 N -1.69 4.43 -0.18 2.62 1.01 -0.67 -4.66 120.40 121.26 3ie1 s VAL 52 Ca 0.35 1.42 0.14 0.00 0.00 0.00 0.00 61.98 63.89 3ie1 s VAL 52 Cb 0.22 -3.64 -0.20 0.00 0.00 0.00 0.00 36.38 32.75 3ie1 s VAL 52 CO 0.31 -0.25 0.03 0.47 0.00 0.00 0.00 175.10 175.65 3ie1 n ASP 53 N -0.48 0.94 -3.45 3.32 8.00 0.40 -4.91 116.55 120.37 3ie1 n ASP 53 Ca 0.06 -0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.42 3ie1 n ASP 53 Cb 0.54 0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 42.37 3ie1 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ie1 s ALA 54 N -2.42 -1.67 0.06 2.24 0.00 -1.21 -4.46 121.76 114.29 3ie1 s ALA 54 Ca -0.11 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.58 3ie1 s ALA 54 Cb 0.05 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 3ie1 s ALA 54 CO 0.68 -0.70 -0.11 0.14 0.00 0.00 0.00 175.76 175.77 3ie1 s VAL 55 N -3.31 0.79 -0.08 0.00 -7.23 -1.22 -0.62 120.40 108.74 3ie1 s VAL 55 Ca 0.00 -1.19 -0.01 0.00 -1.81 0.00 0.00 61.98 58.98 3ie1 s VAL 55 Cb -0.01 -0.83 0.03 0.00 0.56 0.00 0.00 36.38 36.13 3ie1 s VAL 55 CO -0.10 -0.32 -0.03 -0.76 -0.31 0.00 0.00 175.10 173.58 3ie1 s LEU 56 N -1.67 0.92 -0.06 1.32 1.02 -0.25 -1.19 118.68 118.76 3ie1 s LEU 56 Ca -0.06 -0.16 -0.14 0.00 0.02 0.00 0.00 54.13 53.80 3ie1 s LEU 56 Cb -0.10 -0.56 -0.05 0.00 0.02 0.00 0.00 46.19 45.50 3ie1 s LEU 56 CO 0.01 -0.14 0.35 -0.76 0.02 0.00 0.00 176.35 175.83 3ie1 s LEU 57 N 1.66 4.40 0.12 1.79 2.01 -0.83 0.59 118.68 128.41 3ie1 s LEU 57 Ca 0.01 0.78 0.12 0.00 0.01 0.00 0.00 54.13 55.05 3ie1 s LEU 57 Cb -0.13 -2.47 -0.13 0.00 0.01 0.00 0.00 46.19 43.47 3ie1 s LEU 57 CO -0.05 0.26 1.14 0.71 1.01 0.00 0.00 176.35 179.43 3ie1 h THR 58 N 4.04 1.16 -1.75 5.49 1.35 -1.88 -3.42 112.91 117.90 3ie1 h THR 58 Ca -0.49 -2.77 0.01 0.00 -0.55 0.00 0.00 66.41 62.61 3ie1 h THR 58 Cb 1.21 2.54 -0.00 0.00 -1.73 0.00 0.00 68.15 70.16 3ie1 h THR 58 CO 0.65 0.66 0.05 0.00 -0.25 0.00 0.00 175.52 176.63 3ie1 n HIS 59 N -3.19 -0.74 1.03 4.73 1.44 -1.26 0.15 115.22 117.37 3ie1 n HIS 59 Ca -0.04 -0.13 0.12 0.00 -2.01 0.00 0.00 57.72 55.66 3ie1 n HIS 59 Cb 0.89 0.06 0.28 0.00 0.12 0.00 0.00 29.99 31.35 3ie1 n HIS 59 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3ie1 n ALA 60 N -2.78 2.49 -1.67 1.59 0.00 -1.26 -4.74 120.51 114.13 3ie1 n ALA 60 Ca -0.01 -0.66 -0.39 0.00 0.00 0.00 0.00 53.44 52.38 3ie1 n ALA 60 Cb 0.06 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.59 3ie1 n ALA 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ie1 n HIS 61 N 0.91 1.50 0.30 0.00 8.25 -1.26 -4.78 115.22 120.14 3ie1 n HIS 61 Ca 0.17 0.45 0.17 0.00 -0.26 0.00 0.00 57.72 58.25 3ie1 n HIS 61 Cb 0.49 -2.25 0.69 0.00 1.12 0.00 0.00 29.99 30.05 3ie1 n HIS 61 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3ie1 h LEU 62 N 1.01 0.00 -2.27 2.41 5.85 -1.94 -1.96 115.31 118.41 3ie1 h LEU 62 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 3ie1 h LEU 62 Cb 1.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3ie1 h LEU 62 CO 0.54 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.74 3ie1 n ASP 63 N -2.97 3.41 0.00 1.25 5.75 -1.26 0.61 116.55 123.34 3ie1 n ASP 63 Ca 0.01 -2.43 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 3ie1 n ASP 63 Cb 0.28 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 3ie1 n ASP 63 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3ie1 n HIS 64 N 0.43 0.00 0.00 2.11 8.25 -0.85 -2.68 115.22 122.48 3ie1 n HIS 64 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 3ie1 n HIS 64 Cb 0.70 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.81 3ie1 n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ie1 n VAL 65 N -0.08 0.00 -0.24 1.59 0.31 -0.79 -1.79 118.33 117.32 3ie1 n VAL 65 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3ie1 n VAL 65 Cb 0.01 -0.23 0.01 0.00 -0.91 0.00 0.00 33.84 32.72 3ie1 n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ie1 n GLY 66 N 1.71 -1.31 0.39 2.92 0.00 0.20 -0.52 105.19 108.58 3ie1 n GLY 66 Ca 0.00 0.69 0.09 0.00 0.00 0.00 0.00 46.02 46.80 3ie1 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie1 n ARG 67 N -4.87 1.51 0.16 1.61 1.74 0.16 -4.30 116.66 112.68 3ie1 n ARG 67 Ca 0.05 -0.77 -0.14 0.00 -0.77 0.00 0.00 57.85 56.22 3ie1 n ARG 67 Cb 0.23 -1.33 -0.08 0.00 -1.02 0.00 0.00 32.46 30.26 3ie1 n ARG 67 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3ie1 h LEU 68 N 1.49 -0.28 -1.56 0.55 5.85 -0.48 -1.23 115.31 119.65 3ie1 h LEU 68 Ca 0.00 -0.02 0.21 0.00 0.84 0.00 0.00 57.88 58.91 3ie1 h LEU 68 Cb 0.33 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 3ie1 h LEU 68 CO 0.00 -0.17 0.60 1.55 -0.34 0.00 0.00 178.44 180.08 3ie1 h PRO 69 N -0.38 0.35 -0.20 5.25 0.13 -1.76 0.92 132.00 136.30 3ie1 h PRO 69 Ca -0.03 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 3ie1 h PRO 69 Cb 0.29 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 3ie1 h PRO 69 CO 0.06 0.23 -0.00 -0.22 -0.23 0.00 0.00 178.00 177.83 3ie1 h LYS 70 N 0.36 0.36 -1.02 0.86 3.64 -1.67 -1.32 116.57 117.78 3ie1 h LYS 70 Ca 0.47 -0.12 0.29 0.00 -1.27 0.00 0.00 60.65 60.03 3ie1 h LYS 70 Cb 1.24 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 3ie1 h LYS 70 CO -0.16 0.56 0.77 1.25 -2.27 0.00 0.00 179.45 179.60 3ie1 h LEU 71 N 0.12 0.00 0.14 5.20 5.85 0.35 0.28 115.31 127.26 3ie1 h LEU 71 Ca 0.06 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.47 3ie1 h LEU 71 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3ie1 h LEU 71 CO 0.01 0.00 -1.58 -0.26 -0.34 0.00 0.00 178.44 176.28 3ie1 h PHE 72 N 0.00 0.55 -0.75 1.25 -1.00 -1.13 -1.84 116.94 114.02 3ie1 h PHE 72 Ca 0.48 -0.40 0.15 0.00 2.81 0.00 0.00 57.97 61.01 3ie1 h PHE 72 Cb 2.02 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 41.51 3ie1 h PHE 72 CO 0.00 1.62 0.50 -0.09 -1.61 0.00 0.00 178.31 178.73 3ie1 h ARG 73 N -0.13 0.40 -0.21 1.51 2.43 0.59 0.98 114.38 119.95 3ie1 h ARG 73 Ca -0.33 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 58.69 3ie1 h ARG 73 Cb 1.90 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.35 3ie1 h ARG 73 CO 0.11 0.27 -0.41 1.49 -1.51 0.00 0.00 179.97 179.91 3ie1 h GLU 74 N 0.41 0.48 0.00 0.20 4.57 -0.95 -3.47 114.58 115.83 3ie1 h GLU 74 Ca 0.37 -0.24 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3ie1 h GLU 74 Cb 0.85 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3ie1 h GLU 74 CO -0.12 0.81 0.00 0.41 -1.18 0.00 0.00 179.01 178.93 3ie1 n GLY 75 N -0.05 0.28 3.70 1.92 0.00 0.34 -4.85 105.19 106.53 3ie1 n GLY 75 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3ie1 n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ie1 n TYR 76 N 0.00 2.64 -2.66 1.61 -0.00 -0.69 -4.78 117.16 113.28 3ie1 n TYR 76 Ca 0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 57.90 57.89 3ie1 n TYR 76 Cb 0.00 -2.66 0.04 0.00 -0.00 0.00 0.00 39.34 36.72 3ie1 n TYR 76 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3ie1 n ARG 77 N 4.21 2.14 -3.84 2.98 5.12 -1.26 -4.41 116.66 121.61 3ie1 n ARG 77 Ca 0.17 -3.65 -0.24 0.00 -1.93 0.00 0.00 57.85 52.20 3ie1 n ARG 77 Cb 0.34 -1.75 -0.04 0.00 -1.16 0.00 0.00 32.46 29.85 3ie1 n ARG 77 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3ie1 s GLY 78 N -3.75 2.27 1.06 -0.13 0.00 -1.26 -5.12 107.32 100.39 3ie1 s GLY 78 Ca 0.32 -1.79 -0.12 0.00 0.00 0.00 0.00 44.72 43.13 3ie1 s GLY 78 CO -0.02 -1.84 1.00 -1.55 0.00 0.00 0.00 173.10 170.69 3ie1 n PRO 79 N -1.50 -1.49 -3.38 2.90 -0.04 -1.26 -4.89 135.00 125.34 3ie1 n PRO 79 Ca 0.01 -0.39 -0.16 0.00 -0.04 0.00 0.00 63.50 62.91 3ie1 n PRO 79 Cb 0.63 -2.22 -0.09 0.00 -0.04 0.00 0.00 33.50 31.79 3ie1 n PRO 79 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3ie1 s VAL 80 N -2.50 -0.40 -0.10 0.52 1.01 -0.76 -3.40 120.40 114.77 3ie1 s VAL 80 Ca 0.67 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 3ie1 s VAL 80 Cb -0.24 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3ie1 s VAL 80 CO 0.62 -0.49 0.75 -0.31 0.00 0.00 0.00 175.10 175.67 3ie1 s TYR 81 N 2.08 3.53 0.20 5.22 1.51 -0.33 -1.46 117.35 128.10 3ie1 s TYR 81 Ca 0.12 1.26 -0.14 0.00 -1.01 0.00 0.00 57.07 57.30 3ie1 s TYR 81 Cb -0.14 -2.88 0.01 0.00 -0.11 0.00 0.00 41.96 38.83 3ie1 s TYR 81 CO -0.23 -0.03 0.46 0.00 -1.11 0.00 0.00 175.55 174.64 3ie1 s ALA 82 N 1.25 -0.53 0.68 3.71 0.00 -1.07 -1.96 121.76 123.84 3ie1 s ALA 82 Ca 0.38 -0.56 -0.13 0.00 0.00 0.00 0.00 51.96 51.65 3ie1 s ALA 82 Cb -0.18 0.91 0.01 0.00 0.00 0.00 0.00 23.12 23.86 3ie1 s ALA 82 CO 0.17 -0.78 1.07 0.95 0.00 0.00 0.00 175.76 177.17 3ie1 s THR 83 N -3.93 3.70 0.19 0.00 -4.23 -1.23 -1.13 115.64 109.00 3ie1 s THR 83 Ca 0.15 0.65 -0.16 0.00 -1.18 0.00 0.00 61.69 61.15 3ie1 s THR 83 Cb 0.00 -3.24 0.17 0.00 1.34 0.00 0.00 72.50 70.77 3ie1 s THR 83 CO 0.01 -0.62 1.63 -0.09 -0.54 0.00 0.00 174.62 175.01 3ie1 h ARG 84 N -0.38 -0.04 -0.75 3.99 9.65 -1.93 0.07 114.38 124.99 3ie1 h ARG 84 Ca -0.45 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.46 3ie1 h ARG 84 Cb 1.22 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.77 3ie1 h ARG 84 CO 0.55 -0.03 0.49 0.00 2.80 0.00 0.00 179.97 183.79 3ie1 h ALA 85 N 1.44 1.54 -0.09 2.80 0.00 -1.90 -1.74 119.26 121.30 3ie1 h ALA 85 Ca 0.26 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.97 3ie1 h ALA 85 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ie1 h ALA 85 CO -0.58 0.40 -0.64 1.15 0.00 0.00 0.00 179.25 179.59 3ie1 h THR 86 N 0.94 1.38 -0.60 0.00 2.02 -1.28 -0.84 112.91 114.52 3ie1 h THR 86 Ca 0.29 -2.02 -0.04 0.00 0.77 0.00 0.00 66.41 65.41 3ie1 h THR 86 Cb 0.01 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 3ie1 h THR 86 CO -0.08 0.60 0.21 0.58 0.37 0.00 0.00 175.52 177.20 3ie1 h VAL 87 N 0.24 1.24 -0.09 3.16 2.07 -0.29 0.62 116.25 123.19 3ie1 h VAL 87 Ca -0.01 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.69 3ie1 h VAL 87 Cb 1.17 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 3ie1 h VAL 87 CO 0.10 0.30 -0.09 -0.07 0.02 0.00 0.00 177.57 177.83 3ie1 h LEU 88 N 0.85 0.24 -1.93 2.57 3.38 -1.20 -2.89 115.31 116.33 3ie1 h LEU 88 Ca 0.20 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 3ie1 h LEU 88 Cb 0.25 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3ie1 h LEU 88 CO -0.01 0.68 -0.06 -0.07 0.09 0.00 0.00 178.44 179.07 3ie1 h LEU 89 N -0.19 0.00 -1.30 1.67 3.38 -1.09 -2.49 115.31 115.29 3ie1 h LEU 89 Ca 0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3ie1 h LEU 89 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3ie1 h LEU 89 CO 0.02 0.06 -0.12 0.24 0.09 0.00 0.00 178.44 178.73 3ie1 h MET 90 N 0.00 0.33 0.02 1.13 2.86 -0.66 -1.97 114.93 116.63 3ie1 h MET 90 Ca -0.00 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3ie1 h MET 90 Cb 0.11 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3ie1 h MET 90 CO 0.01 0.46 -0.01 1.49 1.06 0.00 0.00 176.91 179.92 3ie1 h GLU 91 N 0.31 -0.02 0.61 1.72 4.81 -1.35 -2.01 114.58 118.64 3ie1 h GLU 91 Ca 0.06 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 3ie1 h GLU 91 Cb 0.41 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3ie1 h GLU 91 CO 0.02 0.22 -0.33 0.82 -0.73 0.00 0.00 179.01 179.02 3ie1 h ILE 92 N -0.27 0.32 -0.76 2.32 2.04 -1.60 0.16 117.51 119.72 3ie1 h ILE 92 Ca -0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.02 3ie1 h ILE 92 Cb 0.26 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 3ie1 h ILE 92 CO 0.00 0.00 0.51 0.58 0.00 0.00 0.00 178.15 179.24 3ie1 h VAL 93 N -0.87 0.77 0.12 1.67 2.07 -1.40 -0.90 116.25 117.71 3ie1 h VAL 93 Ca -0.08 -0.13 -0.31 0.00 0.82 0.00 0.00 66.70 67.00 3ie1 h VAL 93 Cb 0.69 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3ie1 h VAL 93 CO 0.11 0.07 -1.58 -0.07 0.02 0.00 0.00 177.57 176.11 3ie1 h LEU 94 N 0.37 0.38 -1.47 2.57 4.07 -1.15 -3.06 115.31 117.02 3ie1 h LEU 94 Ca 0.37 -0.56 -0.05 0.00 0.08 0.00 0.00 57.88 57.72 3ie1 h LEU 94 Cb 0.93 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.53 3ie1 h LEU 94 CO -0.11 1.47 -0.26 -0.33 -1.08 0.00 0.00 178.44 178.13 3ie1 h GLU 95 N 0.07 0.00 -0.06 1.13 4.39 -0.12 -2.96 114.58 117.02 3ie1 h GLU 95 Ca -0.26 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.35 3ie1 h GLU 95 Cb 2.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.67 3ie1 h GLU 95 CO 0.15 0.26 -0.30 0.22 -1.16 0.00 0.00 179.01 178.18 3ie1 h ASP 96 N 0.00 0.37 0.39 1.42 1.82 -1.26 -3.34 116.42 115.82 3ie1 h ASP 96 Ca -0.00 -0.65 -0.01 0.00 -0.39 0.00 0.00 57.03 55.98 3ie1 h ASP 96 Cb 0.55 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.42 3ie1 h ASP 96 CO 0.03 0.97 -0.45 0.00 -1.61 0.00 0.00 179.24 178.18 3ie1 h ALA 97 N 0.42 -1.08 -0.62 -0.78 0.00 -1.41 -0.18 119.26 115.61 3ie1 h ALA 97 Ca -0.02 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 54.82 3ie1 h ALA 97 Cb 0.96 0.71 -0.10 0.00 0.00 0.00 0.00 17.79 19.36 3ie1 h ALA 97 CO 0.06 -1.13 -0.25 1.28 0.00 0.00 0.00 179.25 179.22 3ie1 n LEU 98 N -5.14 -0.42 -0.03 0.00 4.77 -1.16 0.29 117.00 115.31 3ie1 n LEU 98 Ca -0.10 1.08 -0.13 0.00 -0.03 0.00 0.00 56.01 56.83 3ie1 n LEU 98 Cb 0.40 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.15 3ie1 n LEU 98 CO 0.22 -0.96 0.59 0.11 -1.33 0.00 0.00 177.39 176.01 3ie1 h LYS 99 N 0.00 0.02 0.00 3.23 1.57 -1.64 -3.29 116.57 116.46 3ie1 h LYS 99 Ca 0.21 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 3ie1 h LYS 99 Cb 0.36 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3ie1 h LYS 99 CO -0.61 0.60 -0.20 0.28 -0.57 0.00 0.00 179.45 178.94 3ie1 h VAL 100 N -0.55 0.53 -2.62 0.50 2.07 0.12 -3.44 116.25 112.85 3ie1 h VAL 100 Ca 0.00 -1.01 -0.56 0.00 0.82 0.00 0.00 66.70 65.95 3ie1 h VAL 100 Cb 0.60 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3ie1 h VAL 100 CO 0.00 0.20 1.15 -0.32 0.02 0.00 0.00 177.57 178.62 3ie1 s MET 101 N -3.73 3.92 0.00 1.57 0.00 0.85 -4.94 119.30 116.97 3ie1 s MET 101 Ca 0.00 1.95 0.00 0.00 0.00 0.00 0.00 55.69 57.65 3ie1 s MET 101 Cb 0.11 -4.05 0.00 0.00 0.00 0.00 0.00 34.83 30.89 3ie1 s MET 101 CO 0.62 -1.16 0.61 -0.40 0.00 0.00 0.00 175.02 174.69 3ie1 n ASP 102 N 8.12 0.00 -4.54 1.11 5.75 -1.26 -4.36 116.55 121.36 3ie1 n ASP 102 Ca 0.19 0.61 -0.43 0.00 -0.01 0.00 0.00 54.79 55.15 3ie1 n ASP 102 Cb 0.44 -0.11 -0.05 0.00 -1.03 0.00 0.00 41.12 40.37 3ie1 n ASP 102 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ie1 s GLU 103 N -1.42 3.42 -0.42 0.11 0.41 -1.26 -5.01 118.70 114.52 3ie1 s GLU 103 Ca 0.00 -0.09 -0.29 0.00 -0.41 0.00 0.00 54.97 54.19 3ie1 s GLU 103 Cb 0.00 -3.95 0.02 0.00 -1.78 0.00 0.00 34.13 28.41 3ie1 s GLU 103 CO 0.00 -1.18 1.27 -1.25 -0.49 0.00 0.00 175.26 173.60 3ie1 s PRO 104 N 3.45 3.71 -0.37 0.39 0.04 -1.26 -4.87 135.00 136.09 3ie1 s PRO 104 Ca 0.31 0.84 0.07 0.00 0.04 0.00 0.00 61.00 62.26 3ie1 s PRO 104 Cb -0.12 -3.94 0.70 0.00 0.04 0.00 0.00 34.50 31.18 3ie1 s PRO 104 CO 0.23 -1.39 1.84 1.97 0.04 0.00 0.00 177.00 179.68 3ie1 n PHE 105 N 8.16 2.68 0.00 0.56 1.16 -1.26 -4.84 117.46 123.92 3ie1 n PHE 105 Ca 0.14 -1.45 0.00 0.00 -1.87 0.00 0.00 57.45 54.27 3ie1 n PHE 105 Cb 0.48 -0.79 0.00 0.00 -1.61 0.00 0.00 39.48 37.56 3ie1 n PHE 105 CO 0.00 0.00 0.00 1.97 -1.87 0.00 0.00 176.76 176.86 3ie1 n PHE 106 N -0.54 0.00 -2.35 2.97 -1.74 -1.26 -4.78 117.46 109.77 3ie1 n PHE 106 Ca 0.48 0.00 -0.25 0.00 -0.56 0.00 0.00 57.45 57.12 3ie1 n PHE 106 Cb 1.49 0.00 0.15 0.00 1.52 0.00 0.00 39.48 42.64 3ie1 n PHE 106 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3ie1 n GLY 107 N -0.08 -0.16 0.14 4.97 0.00 -1.26 -4.98 105.19 103.82 3ie1 n GLY 107 Ca 0.00 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 3ie1 n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ie1 h PRO 108 N 0.00 0.38 -1.53 1.61 0.13 -2.00 -2.90 132.00 127.68 3ie1 h PRO 108 Ca -0.36 -0.10 0.47 0.00 -0.87 0.00 0.00 66.00 65.13 3ie1 h PRO 108 Cb 1.20 -0.04 -0.10 0.00 0.13 0.00 0.00 31.00 32.19 3ie1 h PRO 108 CO 0.33 0.51 1.06 1.05 -0.23 0.00 0.00 178.00 180.73 3ie1 h GLU 109 N 0.18 0.05 0.31 0.86 9.09 -2.00 0.46 114.58 123.53 3ie1 h GLU 109 Ca 0.07 -0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.46 3ie1 h GLU 109 Cb 0.32 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.41 3ie1 h GLU 109 CO 0.00 0.03 -0.15 -0.44 0.05 0.00 0.00 179.01 178.51 3ie1 h ASP 110 N 0.05 -0.36 -1.02 3.06 3.32 -1.85 -2.85 116.42 116.77 3ie1 h ASP 110 Ca 0.82 -0.18 0.26 0.00 0.02 0.00 0.00 57.03 57.95 3ie1 h ASP 110 Cb 2.94 0.09 -0.12 0.00 0.22 0.00 0.00 39.33 42.46 3ie1 h ASP 110 CO -0.20 0.09 0.61 0.58 -1.72 0.00 0.00 179.24 178.61 3ie1 h VAL 111 N -0.91 0.50 0.45 -1.35 2.07 -0.16 0.47 116.25 117.31 3ie1 h VAL 111 Ca -0.04 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3ie1 h VAL 111 Cb 0.52 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 3ie1 h VAL 111 CO 0.07 0.09 -0.21 -0.08 0.02 0.00 0.00 177.57 177.46 3ie1 h GLU 112 N 0.50 -0.58 -0.44 1.57 4.81 -1.24 -1.15 114.58 118.06 3ie1 h GLU 112 Ca 0.65 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.94 3ie1 h GLU 112 Cb 1.37 0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.85 3ie1 h GLU 112 CO -0.45 -0.36 0.25 1.49 -0.73 0.00 0.00 179.01 179.20 3ie1 h GLU 113 N -0.63 0.49 0.21 1.92 4.57 -0.46 -1.11 114.58 119.56 3ie1 h GLU 113 Ca -0.06 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 3ie1 h GLU 113 Cb 0.48 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 3ie1 h GLU 113 CO 0.10 0.33 -0.40 0.00 -1.18 0.00 0.00 179.01 177.85 3ie1 h ALA 114 N 1.20 -0.96 -0.98 2.92 0.00 -0.03 -2.07 119.26 119.33 3ie1 h ALA 114 Ca 0.18 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.17 3ie1 h ALA 114 Cb 0.03 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 3ie1 h ALA 114 CO -0.09 -1.03 0.61 -0.07 0.00 0.00 0.00 179.25 178.67 3ie1 h LEU 115 N -0.66 0.68 0.00 0.00 3.38 -1.06 0.31 115.31 117.96 3ie1 h LEU 115 Ca -0.02 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3ie1 h LEU 115 Cb 0.62 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3ie1 h LEU 115 CO -0.15 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.24 3ie1 n GLY 116 N -1.38 -0.36 0.27 0.83 0.00 -0.43 -1.26 105.19 102.85 3ie1 n GLY 116 Ca 0.22 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.21 3ie1 n GLY 116 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ie1 n HIS 117 N -1.04 0.18 -2.38 1.61 8.25 0.10 -4.98 115.22 116.95 3ie1 n HIS 117 Ca 0.07 -0.45 -0.43 0.00 -0.26 0.00 0.00 57.72 56.66 3ie1 n HIS 117 Cb 0.04 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 3ie1 n HIS 117 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ie1 s LEU 118 N -0.94 3.70 -0.18 2.41 1.43 -0.39 -1.83 118.68 122.89 3ie1 s LEU 118 Ca 0.10 0.97 -0.05 0.00 -1.03 0.00 0.00 54.13 54.12 3ie1 s LEU 118 Cb 0.05 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 3ie1 s LEU 118 CO 0.07 -1.30 -0.01 -0.13 0.23 0.00 0.00 176.35 175.22 3ie1 s ARG 119 N 4.64 3.71 0.45 1.70 0.52 -0.54 -4.94 118.95 124.49 3ie1 s ARG 119 Ca 0.59 -0.49 -0.23 0.00 -0.52 0.00 0.00 55.73 55.08 3ie1 s ARG 119 Cb -0.15 -3.03 -0.08 0.00 0.52 0.00 0.00 34.95 32.22 3ie1 s ARG 119 CO 0.29 0.16 1.19 -1.25 0.02 0.00 0.00 175.30 175.71 3ie1 s PRO 120 N 0.59 3.80 -0.28 3.54 0.04 -1.26 -2.58 135.00 138.85 3ie1 s PRO 120 Ca -0.01 1.84 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 3ie1 s PRO 120 Cb -0.14 -2.48 0.17 0.00 0.04 0.00 0.00 34.50 32.10 3ie1 s PRO 120 CO 0.02 -0.54 0.52 -1.17 0.04 0.00 0.00 177.00 175.87 3ie1 s LEU 121 N -2.91 -1.13 0.00 -3.56 2.96 -0.29 -4.83 118.68 108.93 3ie1 s LEU 121 Ca 0.62 0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 55.08 3ie1 s LEU 121 Cb -0.30 1.76 0.10 0.00 0.50 0.00 0.00 46.19 48.25 3ie1 s LEU 121 CO 0.37 -0.28 0.69 -0.62 -1.32 0.00 0.00 176.35 175.19 3ie1 n GLU 122 N 5.40 0.04 -2.08 1.98 -0.58 -1.26 -3.50 120.64 120.65 3ie1 n GLU 122 Ca -0.01 -1.80 -0.40 0.00 -0.42 0.00 0.00 57.16 54.53 3ie1 n GLU 122 Cb 0.51 -0.49 -0.01 0.00 -0.57 0.00 0.00 31.44 30.88 3ie1 n GLU 122 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 3ie1 s TYR 123 N -2.08 2.90 -0.82 -0.32 2.02 -1.26 -2.88 117.35 114.91 3ie1 s TYR 123 Ca 0.45 1.42 0.00 0.00 -0.37 0.00 0.00 57.07 58.57 3ie1 s TYR 123 Cb -0.02 -3.66 0.00 0.00 -0.40 0.00 0.00 41.96 37.87 3ie1 s TYR 123 CO 0.30 -1.99 0.00 0.41 -1.57 0.00 0.00 175.55 172.70 3ie1 n GLY 124 N 0.70 0.43 3.09 0.71 0.00 -1.24 -5.01 105.19 103.87 3ie1 n GLY 124 Ca 0.02 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 3ie1 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie1 s GLU 125 N -3.74 2.61 -0.08 1.61 2.02 -1.14 -5.08 118.70 114.89 3ie1 s GLU 125 Ca 0.00 -0.69 -0.16 0.00 0.02 0.00 0.00 54.97 54.14 3ie1 s GLU 125 Cb 0.00 -2.23 -0.05 0.00 0.10 0.00 0.00 34.13 31.95 3ie1 s GLU 125 CO 0.00 -0.13 0.41 -1.58 0.02 0.00 0.00 175.26 173.98 3ie1 s TRP 126 N 1.14 3.58 0.04 1.61 0.52 -1.26 -4.39 118.94 120.19 3ie1 s TRP 126 Ca -0.01 0.86 0.00 0.00 0.02 0.00 0.00 56.10 56.97 3ie1 s TRP 126 Cb -0.14 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.74 3ie1 s TRP 126 CO -0.07 0.36 0.16 -1.17 0.02 0.00 0.00 176.95 176.26 3ie1 s LEU 127 N -0.05 4.20 -0.13 2.99 2.96 0.44 -4.92 118.68 124.17 3ie1 s LEU 127 Ca 0.23 0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 54.35 3ie1 s LEU 127 Cb -0.15 -2.73 0.03 0.00 0.50 0.00 0.00 46.19 43.84 3ie1 s LEU 127 CO 0.10 0.20 -0.09 -0.13 -1.32 0.00 0.00 176.35 175.11 3ie1 s ARG 128 N -2.30 1.71 -0.31 1.98 1.81 -1.26 -1.93 118.95 118.65 3ie1 s ARG 128 Ca 0.31 -0.38 -0.01 0.00 -1.72 0.00 0.00 55.73 53.93 3ie1 s ARG 128 Cb -0.13 -1.80 0.10 0.00 -0.45 0.00 0.00 34.95 32.67 3ie1 s ARG 128 CO 0.24 -0.29 0.10 -0.51 -0.68 0.00 0.00 175.30 174.16 3ie1 s LEU 129 N 1.64 2.14 0.00 2.53 1.43 -0.98 -5.02 118.68 120.40 3ie1 s LEU 129 Ca 0.04 -1.63 0.00 0.00 -1.03 0.00 0.00 54.13 51.51 3ie1 s LEU 129 Cb -0.13 -0.83 0.00 0.00 0.03 0.00 0.00 46.19 45.26 3ie1 s LEU 129 CO -0.09 -0.42 0.00 0.61 0.23 0.00 0.00 176.35 176.69 3ie1 n GLY 130 N 4.85 1.68 0.00 -3.19 0.00 -1.26 -1.06 105.19 106.21 3ie1 n GLY 130 Ca -0.02 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.50 3ie1 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie1 n ALA 131 N 7.18 2.54 -1.90 4.61 0.00 -1.25 -4.80 120.51 126.88 3ie1 n ALA 131 Ca 0.00 -0.12 -0.38 0.00 0.00 0.00 0.00 53.44 52.94 3ie1 n ALA 131 Cb 0.00 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 3ie1 n ALA 131 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ie1 s LEU 132 N -1.65 4.44 0.03 0.00 0.20 -0.22 -4.49 118.68 116.99 3ie1 s LEU 132 Ca 0.29 1.71 0.06 0.00 0.69 0.00 0.00 54.13 56.87 3ie1 s LEU 132 Cb 0.13 -3.69 -0.02 0.00 -0.43 0.00 0.00 46.19 42.18 3ie1 s LEU 132 CO 0.22 0.05 -0.17 -0.44 -0.29 0.00 0.00 176.35 175.72 3ie1 s SER 133 N -1.46 2.05 -0.00 3.68 0.01 -0.09 -2.33 113.70 115.55 3ie1 s SER 133 Ca 0.44 -0.45 -0.08 0.00 1.31 0.00 0.00 55.95 57.17 3ie1 s SER 133 Cb -0.20 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.87 3ie1 s SER 133 CO 0.25 0.12 0.15 -0.76 0.41 0.00 0.00 173.24 173.41 3ie1 s LEU 134 N -1.02 1.49 -0.24 2.44 1.43 -0.81 -1.60 118.68 120.36 3ie1 s LEU 134 Ca 0.05 -0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 52.74 3ie1 s LEU 134 Cb -0.08 0.71 0.10 0.00 0.03 0.00 0.00 46.19 46.95 3ie1 s LEU 134 CO 0.01 -0.35 0.90 0.00 0.23 0.00 0.00 176.35 177.14 3ie1 s ALA 135 N -1.27 -1.89 0.48 4.21 0.00 -1.19 -0.42 121.76 121.68 3ie1 s ALA 135 Ca -0.14 1.83 -0.15 0.00 0.00 0.00 0.00 51.96 53.50 3ie1 s ALA 135 Cb -0.07 -1.13 -0.08 0.00 0.00 0.00 0.00 23.12 21.85 3ie1 s ALA 135 CO 0.02 -0.29 0.93 -0.06 0.00 0.00 0.00 175.76 176.36 3ie1 s PHE 136 N -0.04 3.45 0.09 0.00 0.08 -1.26 -1.56 117.98 118.74 3ie1 s PHE 136 Ca 0.00 1.37 0.04 0.00 0.12 0.00 0.00 56.93 58.47 3ie1 s PHE 136 Cb -0.04 -2.71 -0.03 0.00 -0.57 0.00 0.00 43.02 39.67 3ie1 s PHE 136 CO -0.01 -0.29 -0.11 0.20 -0.10 0.00 0.00 175.22 174.91 3ie1 s GLY 137 N -3.03 0.86 -0.01 4.36 0.00 -0.29 -3.73 107.32 105.48 3ie1 s GLY 137 Ca 0.57 -1.13 -0.30 0.00 0.00 0.00 0.00 44.72 43.86 3ie1 s GLY 137 CO 0.30 -1.19 2.00 1.62 0.00 0.00 0.00 173.10 175.83 3ie1 s GLN 138 N -2.46 3.98 -0.00 2.90 2.00 -1.26 -2.01 119.66 122.81 3ie1 s GLN 138 Ca 0.03 2.50 0.10 0.00 -2.00 0.00 0.00 55.36 56.00 3ie1 s GLN 138 Cb -0.05 -4.19 -0.12 0.00 0.80 0.00 0.00 33.01 29.45 3ie1 s GLN 138 CO 0.01 -1.14 0.41 0.00 -0.50 0.00 0.00 175.29 174.08 3ie1 n ALA 139 N 8.19 3.23 -4.39 1.58 0.00 -1.08 0.49 120.51 128.53 3ie1 n ALA 139 Ca 0.21 -0.29 -0.39 0.00 0.00 0.00 0.00 53.44 52.97 3ie1 n ALA 139 Cb 0.42 -0.38 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 3ie1 n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie1 n GLY 140 N 1.33 -0.34 0.00 0.00 0.00 -1.26 -2.68 105.19 102.24 3ie1 n GLY 140 Ca 0.01 0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.15 3ie1 n GLY 140 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ie1 n HIS 141 N -3.98 0.00 -3.48 1.61 -0.00 -1.26 -3.79 115.22 104.31 3ie1 n HIS 141 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.64 3ie1 n HIS 141 Cb 0.47 -0.18 -0.03 0.00 -0.00 0.00 0.00 29.99 30.25 3ie1 n HIS 141 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ie1 s LEU 142 N -3.55 -0.54 -0.18 0.27 1.43 -1.26 -4.90 118.68 109.95 3ie1 s LEU 142 Ca -0.03 0.23 -0.29 0.00 -1.03 0.00 0.00 54.13 53.02 3ie1 s LEU 142 Cb 0.05 2.42 -0.06 0.00 0.03 0.00 0.00 46.19 48.62 3ie1 s LEU 142 CO 0.31 -0.75 2.17 -2.65 0.23 0.00 0.00 176.35 175.66 3ie1 n PRO 143 N 0.09 2.09 -1.84 1.29 -0.02 -1.26 -0.47 135.00 134.88 3ie1 n PRO 143 Ca -0.15 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3ie1 n PRO 143 Cb 0.62 -3.16 0.00 0.00 -0.02 0.00 0.00 33.50 30.94 3ie1 n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ie1 n GLY 144 N 5.56 0.69 3.87 -1.23 0.00 -1.26 -4.09 105.19 108.73 3ie1 n GLY 144 Ca 0.29 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 3ie1 n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ie1 s SER 145 N -2.86 6.63 0.23 1.61 1.04 0.37 -4.45 113.70 116.27 3ie1 s SER 145 Ca 0.00 0.76 -0.16 0.00 0.48 0.00 0.00 55.95 57.03 3ie1 s SER 145 Cb 0.00 -2.17 0.01 0.00 0.10 0.00 0.00 66.02 63.96 3ie1 s SER 145 CO 0.00 0.21 0.53 0.00 0.98 0.00 0.00 173.24 174.96 3ie1 s ALA 146 N -1.34 -0.69 0.04 5.32 0.00 0.12 -2.65 121.76 122.56 3ie1 s ALA 146 Ca 0.31 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.81 3ie1 s ALA 146 Cb -0.14 0.93 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 3ie1 s ALA 146 CO 0.17 -0.86 -0.12 -0.59 0.00 0.00 0.00 175.76 174.35 3ie1 s PHE 147 N -3.94 2.71 0.36 0.00 -0.71 -0.85 -4.55 117.98 111.00 3ie1 s PHE 147 Ca 0.15 -0.16 -0.09 0.00 -1.04 0.00 0.00 56.93 55.79 3ie1 s PHE 147 Cb -0.02 -1.51 -0.06 0.00 -1.21 0.00 0.00 43.02 40.22 3ie1 s PHE 147 CO 0.04 0.33 0.70 0.08 -1.34 0.00 0.00 175.22 175.03 3ie1 s VAL 148 N -1.01 4.84 -0.36 -2.49 1.01 -0.39 -1.14 120.40 120.86 3ie1 s VAL 148 Ca 0.17 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3ie1 s VAL 148 Cb -0.11 -3.72 0.13 0.00 0.00 0.00 0.00 36.38 32.69 3ie1 s VAL 148 CO 0.08 -0.42 0.20 -0.69 0.00 0.00 0.00 175.10 174.27 3ie1 s VAL 149 N -2.24 0.52 -0.14 2.92 1.01 -0.60 -2.40 120.40 119.47 3ie1 s VAL 149 Ca 0.49 -1.80 -0.20 0.00 0.00 0.00 0.00 61.98 60.47 3ie1 s VAL 149 Cb -0.10 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 3ie1 s VAL 149 CO 0.29 -0.91 0.58 0.00 0.00 0.00 0.00 175.10 175.06 3ie1 s ALA 150 N 1.04 3.47 -0.05 5.51 0.00 -1.04 -3.15 121.76 127.54 3ie1 s ALA 150 Ca 0.16 -0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.00 3ie1 s ALA 150 Cb -0.22 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.07 3ie1 s ALA 150 CO -0.05 -0.23 -0.15 -1.14 0.00 0.00 0.00 175.76 174.19 3ie1 s GLN 151 N 1.14 1.74 0.00 0.00 -0.44 -0.63 -0.13 119.66 121.35 3ie1 s GLN 151 Ca 0.29 -0.51 0.00 0.00 -2.50 0.00 0.00 55.36 52.64 3ie1 s GLN 151 Cb -0.16 -1.47 0.00 0.00 -1.64 0.00 0.00 33.01 29.74 3ie1 s GLN 151 CO 0.12 0.13 0.00 0.41 0.50 0.00 0.00 175.29 176.45 3ie1 n GLY 152 N 3.48 1.85 3.31 2.59 0.00 -0.31 -0.92 105.19 115.20 3ie1 n GLY 152 Ca -0.20 -0.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.97 3ie1 n GLY 152 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ie1 n GLU 153 N -0.43 -6.01 -0.62 1.61 1.02 -1.26 -0.89 120.64 114.05 3ie1 n GLU 153 Ca 0.00 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 3ie1 n GLU 153 Cb 0.00 -5.77 0.00 0.00 -0.02 0.00 0.00 31.44 25.65 3ie1 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie1 n GLY 154 N -1.70 0.17 3.69 0.62 0.00 -1.26 -4.95 105.19 101.75 3ie1 n GLY 154 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 3ie1 n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie1 s ARG 155 N -0.89 2.49 -0.13 1.61 1.81 -0.07 -5.10 118.95 118.66 3ie1 s ARG 155 Ca 0.00 -1.15 0.01 0.00 -1.72 0.00 0.00 55.73 52.87 3ie1 s ARG 155 Cb 0.00 -2.36 0.02 0.00 -0.45 0.00 0.00 34.95 32.16 3ie1 s ARG 155 CO 0.00 0.43 -0.13 0.99 -0.68 0.00 0.00 175.30 175.91 3ie1 s THR 156 N -1.91 1.45 0.25 0.02 2.01 -1.26 -1.16 115.64 115.04 3ie1 s THR 156 Ca 0.29 -0.58 0.07 0.00 0.31 0.00 0.00 61.69 61.79 3ie1 s THR 156 Cb -0.09 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 3ie1 s THR 156 CO 0.20 0.44 0.15 -0.22 -0.69 0.00 0.00 174.62 174.50 3ie1 s LEU 157 N 1.33 3.68 -0.21 4.42 2.96 0.81 -1.80 118.68 129.88 3ie1 s LEU 157 Ca 0.01 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.55 3ie1 s LEU 157 Cb -0.14 -2.22 0.11 0.00 0.50 0.00 0.00 46.19 44.45 3ie1 s LEU 157 CO -0.07 -0.02 0.36 -0.69 -1.32 0.00 0.00 176.35 174.61 3ie1 s VAL 158 N -2.14 -0.57 -0.48 1.68 1.01 -0.98 -2.50 120.40 116.42 3ie1 s VAL 158 Ca 0.32 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.22 3ie1 s VAL 158 Cb -0.08 -0.72 0.10 0.00 0.00 0.00 0.00 36.38 35.69 3ie1 s VAL 158 CO 0.24 -0.05 0.38 -0.47 0.00 0.00 0.00 175.10 175.20 3ie1 s TYR 159 N 2.53 3.33 0.60 5.22 6.04 -1.01 -0.95 117.35 133.12 3ie1 s TYR 159 Ca 0.07 -1.46 0.30 0.00 0.04 0.00 0.00 57.07 56.01 3ie1 s TYR 159 Cb -0.14 -3.39 1.62 0.00 -1.04 0.00 0.00 41.96 39.01 3ie1 s TYR 159 CO -0.14 -0.93 2.01 0.66 -1.54 0.00 0.00 175.55 175.61 3ie1 h SER 160 N 8.61 0.00 0.00 4.32 4.64 -1.71 -1.02 113.55 128.39 3ie1 h SER 160 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3ie1 h SER 160 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3ie1 h SER 160 CO 0.89 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.46 3ie1 n GLY 161 N -1.40 2.40 3.41 -0.77 0.00 -1.26 -4.29 105.19 103.29 3ie1 n GLY 161 Ca 0.03 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 3ie1 n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ie1 s ASP 162 N -4.00 4.65 0.62 1.61 -0.00 -1.26 -4.51 116.67 113.78 3ie1 s ASP 162 Ca 0.00 -0.25 -0.05 0.00 -0.00 0.00 0.00 52.55 52.25 3ie1 s ASP 162 Cb 0.00 -1.79 0.03 0.00 -0.00 0.00 0.00 42.92 41.16 3ie1 s ASP 162 CO 0.00 0.06 0.91 -0.76 -0.00 0.00 0.00 175.17 175.38 3ie1 s LEU 163 N 1.03 3.12 0.00 1.23 1.02 -1.26 -4.46 118.68 119.35 3ie1 s LEU 163 Ca 0.01 0.51 0.00 0.00 0.02 0.00 0.00 54.13 54.67 3ie1 s LEU 163 Cb -0.14 -3.28 0.00 0.00 0.02 0.00 0.00 46.19 42.78 3ie1 s LEU 163 CO 0.01 -1.24 0.00 0.61 0.02 0.00 0.00 176.35 175.75 3ie1 n GLY 164 N -2.64 4.14 3.44 -3.19 0.00 -1.09 -3.47 105.19 102.38 3ie1 n GLY 164 Ca 0.06 -2.21 -0.44 0.00 0.00 0.00 0.00 46.02 43.43 3ie1 n GLY 164 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ie1 s ASN 165 N -1.10 6.48 0.00 1.61 3.04 -1.23 -3.40 114.94 120.34 3ie1 s ASN 165 Ca 0.00 -1.74 0.00 0.00 0.04 0.00 0.00 52.86 51.16 3ie1 s ASN 165 Cb -0.00 -2.39 0.00 0.00 -1.54 0.00 0.00 41.25 37.32 3ie1 s ASN 165 CO 0.00 -1.16 0.07 -2.11 -3.04 0.00 0.00 177.10 170.87 3ie1 n ARG 166 N 6.78 0.11 -0.00 0.43 1.85 -1.26 -1.23 116.66 123.34 3ie1 n ARG 166 Ca 0.14 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 57.01 3ie1 n ARG 166 Cb 0.48 -1.03 -0.02 0.00 -1.05 0.00 0.00 32.46 30.83 3ie1 n ARG 166 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 3ie1 n GLU 167 N 0.07 1.88 0.00 2.89 1.02 -1.26 -4.92 120.64 120.31 3ie1 n GLU 167 Ca 0.00 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 3ie1 n GLU 167 Cb 0.02 -0.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 3ie1 n GLU 167 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3ie1 n LYS 168 N -1.45 -0.57 0.00 3.49 5.02 -0.37 -4.83 118.16 119.46 3ie1 n LYS 168 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3ie1 n LYS 168 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.08 3ie1 n LYS 168 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ie1 n ASP 169 N -2.61 0.29 -0.32 4.39 10.43 -1.26 -4.85 116.55 122.62 3ie1 n ASP 169 Ca 0.00 0.00 0.18 0.00 2.57 0.00 0.00 54.79 57.54 3ie1 n ASP 169 Cb 0.00 0.00 0.38 0.00 1.84 0.00 0.00 41.12 43.34 3ie1 n ASP 169 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3ie1 h VAL 170 N 0.00 0.24 -2.31 2.53 2.07 -1.96 -3.40 116.25 113.43 3ie1 h VAL 170 Ca 0.00 -0.07 -0.50 0.00 0.82 0.00 0.00 66.70 66.95 3ie1 h VAL 170 Cb 1.00 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3ie1 h VAL 170 CO 0.00 0.04 -0.50 -0.76 0.02 0.00 0.00 177.57 176.37 3ie1 s LEU 171 N -10.61 4.02 0.66 2.57 1.02 -1.26 -1.09 118.68 113.98 3ie1 s LEU 171 Ca -0.11 -0.09 -0.09 0.00 0.02 0.00 0.00 54.13 53.85 3ie1 s LEU 171 Cb 0.28 -2.57 0.01 0.00 0.02 0.00 0.00 46.19 43.94 3ie1 s LEU 171 CO 0.78 -0.02 1.02 -2.16 0.02 0.00 0.00 176.35 175.98 3ie1 s PRO 172 N -3.71 2.88 0.01 1.29 0.04 -1.26 -4.47 135.00 129.77 3ie1 s PRO 172 Ca 0.33 0.27 -0.30 0.00 0.04 0.00 0.00 61.00 61.33 3ie1 s PRO 172 Cb -0.09 -2.12 -0.06 0.00 0.04 0.00 0.00 34.50 32.27 3ie1 s PRO 172 CO 0.26 -0.90 1.39 -0.51 0.04 0.00 0.00 177.00 177.28 3ie1 s ASP 173 N -4.34 6.86 0.33 6.66 1.01 -1.26 -4.12 116.67 121.81 3ie1 s ASP 173 Ca 0.56 2.12 -0.28 0.00 0.71 0.00 0.00 52.55 55.66 3ie1 s ASP 173 Cb -0.11 -2.56 -0.13 0.00 1.01 0.00 0.00 42.92 41.13 3ie1 s ASP 173 CO 0.49 -0.70 1.23 -2.65 0.21 0.00 0.00 175.17 173.75 3ie1 n PRO 174 N 5.21 1.96 -2.46 8.23 -0.02 -1.26 -4.73 135.00 141.93 3ie1 n PRO 174 Ca 0.13 0.69 -0.39 0.00 -2.02 0.00 0.00 63.50 61.90 3ie1 n PRO 174 Cb 0.44 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 3ie1 n PRO 174 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ie1 s SER 175 N -0.36 7.10 0.49 2.55 0.15 0.18 -4.94 113.70 118.87 3ie1 s SER 175 Ca 0.56 2.25 -0.24 0.00 0.70 0.00 0.00 55.95 59.22 3ie1 s SER 175 Cb -0.60 -2.62 -0.07 0.00 -1.71 0.00 0.00 66.02 61.03 3ie1 s SER 175 CO 0.62 -0.26 1.37 -0.76 1.20 0.00 0.00 173.24 175.41 3ie1 s LEU 176 N -1.76 4.00 0.85 3.45 1.43 -1.26 -4.85 118.68 120.55 3ie1 s LEU 176 Ca 0.48 2.79 -0.12 0.00 -1.03 0.00 0.00 54.13 56.25 3ie1 s LEU 176 Cb -0.30 -4.10 0.10 0.00 0.03 0.00 0.00 46.19 41.92 3ie1 s LEU 176 CO 0.39 -1.30 1.17 -2.16 0.23 0.00 0.00 176.35 174.67 3ie1 s PRO 177 N -2.65 1.62 0.54 1.29 0.04 -1.26 -5.03 135.00 129.55 3ie1 s PRO 177 Ca 0.65 0.16 -0.09 0.00 0.04 0.00 0.00 61.00 61.76 3ie1 s PRO 177 Cb -0.41 -1.91 0.13 0.00 0.04 0.00 0.00 34.50 32.35 3ie1 s PRO 177 CO 0.50 -1.84 0.72 -0.35 0.04 0.00 0.00 177.00 176.07 3ie1 n PRO 178 N -3.50 -0.81 -3.06 0.56 -0.04 -1.26 -4.98 135.00 121.92 3ie1 n PRO 178 Ca 0.08 -1.11 -0.42 0.00 -0.04 0.00 0.00 63.50 62.00 3ie1 n PRO 178 Cb 0.60 -0.76 -0.06 0.00 -0.04 0.00 0.00 33.50 33.24 3ie1 n PRO 178 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3ie1 s LEU 179 N 0.00 4.32 0.13 1.53 2.96 -1.26 -4.98 118.68 121.38 3ie1 s LEU 179 Ca 0.41 -0.05 0.10 0.00 -0.22 0.00 0.00 54.13 54.37 3ie1 s LEU 179 Cb -0.01 -2.83 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 3ie1 s LEU 179 CO 0.29 -0.74 -0.21 0.00 -1.32 0.00 0.00 176.35 174.36 3ie1 s ALA 180 N 2.92 2.58 -1.32 5.97 0.00 -1.26 -4.94 121.76 125.70 3ie1 s ALA 180 Ca 0.26 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.79 3ie1 s ALA 180 Cb -0.14 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.45 3ie1 s ALA 180 CO 0.18 0.55 0.64 -0.25 0.00 0.00 0.00 175.76 176.89 3ie1 n ASP 181 N 0.74 0.66 0.00 0.00 10.43 -0.74 -4.47 116.55 123.16 3ie1 n ASP 181 Ca -0.16 -1.94 0.00 0.00 2.57 0.00 0.00 54.79 55.26 3ie1 n ASP 181 Cb 0.53 -0.33 0.00 0.00 1.84 0.00 0.00 41.12 43.16 3ie1 n ASP 181 CO 0.00 0.00 0.00 -0.11 -1.07 0.00 0.00 177.20 176.02 3ie1 n LEU 182 N -0.15 0.00 -3.75 0.64 7.94 -1.23 -4.73 117.00 115.72 3ie1 n LEU 182 Ca 0.00 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.60 3ie1 n LEU 182 Cb 0.16 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.97 3ie1 n LEU 182 CO 0.00 0.00 -0.31 -0.69 -1.11 0.00 0.00 177.39 175.28 3ie1 s VAL 183 N -0.12 1.10 -0.45 1.96 1.01 -1.11 -2.33 120.40 120.47 3ie1 s VAL 183 Ca 0.00 -1.77 -0.28 0.00 0.00 0.00 0.00 61.98 59.94 3ie1 s VAL 183 Cb 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 3ie1 s VAL 183 CO 0.00 -0.73 1.77 -0.22 0.00 0.00 0.00 175.10 175.92 3ie1 s LEU 184 N 1.24 3.44 0.39 3.92 0.20 -0.12 -2.75 118.68 124.98 3ie1 s LEU 184 Ca 0.12 0.88 0.08 0.00 0.69 0.00 0.00 54.13 55.90 3ie1 s LEU 184 Cb -0.19 -3.14 -0.06 0.00 -0.43 0.00 0.00 46.19 42.36 3ie1 s LEU 184 CO -0.17 -1.93 0.10 0.00 -0.29 0.00 0.00 176.35 174.06 3ie1 s ALA 185 N 7.54 3.39 0.33 5.97 0.00 -1.19 -2.10 121.76 135.69 3ie1 s ALA 185 Ca 0.73 -2.09 0.05 0.00 0.00 0.00 0.00 51.96 50.65 3ie1 s ALA 185 Cb -0.18 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.70 3ie1 s ALA 185 CO 0.29 -0.08 0.44 -0.85 0.00 0.00 0.00 175.76 175.55 3ie1 n GLU 186 N -1.10 0.80 -1.28 0.00 0.28 -1.25 0.14 120.64 118.23 3ie1 n GLU 186 Ca -0.03 -1.77 -0.00 0.00 -0.16 0.00 0.00 57.16 55.20 3ie1 n GLU 186 Cb 0.64 -0.11 0.01 0.00 1.43 0.00 0.00 31.44 33.41 3ie1 n GLU 186 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ie1 n GLY 187 N 1.04 -0.67 0.41 -1.84 0.00 -0.79 -4.67 105.19 98.66 3ie1 n GLY 187 Ca 0.08 -0.01 0.34 0.00 0.00 0.00 0.00 46.02 46.43 3ie1 n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ie1 h THR 188 N 0.32 0.12 -2.21 2.61 2.02 -1.78 0.16 112.91 114.15 3ie1 h THR 188 Ca -0.04 -0.04 -0.57 0.00 0.77 0.00 0.00 66.41 66.54 3ie1 h THR 188 Cb 0.89 0.01 -0.42 0.00 -1.74 0.00 0.00 68.15 66.89 3ie1 h THR 188 CO -0.02 0.02 -0.75 -1.22 0.37 0.00 0.00 175.52 173.92 3ie1 n TYR 189 N -4.89 3.16 -0.05 3.16 4.02 -1.26 -4.73 117.16 116.57 3ie1 n TYR 189 Ca 0.37 -3.97 0.08 0.00 -0.01 0.00 0.00 57.90 54.36 3ie1 n TYR 189 Cb 1.33 -0.48 0.27 0.00 -0.02 0.00 0.00 39.34 40.44 3ie1 n TYR 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ie1 n GLY 190 N 0.04 2.02 0.00 2.72 0.00 0.57 -1.77 105.19 108.78 3ie1 n GLY 190 Ca 0.29 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3ie1 n GLY 190 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ie1 n ASP 191 N 0.91 1.53 -3.60 1.61 3.85 -1.25 -2.11 116.55 117.49 3ie1 n ASP 191 Ca 0.20 -1.73 -0.03 0.00 -0.71 0.00 0.00 54.79 52.52 3ie1 n ASP 191 Cb 0.66 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.42 3ie1 n ASP 191 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3ie1 s ARG 192 N -0.73 0.37 0.00 0.11 1.70 -1.26 -5.06 118.95 114.09 3ie1 s ARG 192 Ca 0.00 -0.16 0.00 0.00 -0.47 0.00 0.00 55.73 55.10 3ie1 s ARG 192 Cb 0.00 0.16 0.00 0.00 -0.57 0.00 0.00 34.95 34.54 3ie1 s ARG 192 CO 0.00 -0.16 0.00 -0.35 -1.08 0.00 0.00 175.30 173.71 3ie1 n PRO 193 N -0.20 3.41 -4.24 3.89 -0.04 -1.26 -2.22 135.00 134.33 3ie1 n PRO 193 Ca -0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.30 3ie1 n PRO 193 Cb 0.60 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.95 3ie1 n PRO 193 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3ie1 s HIS 194 N 1.63 1.20 -0.61 0.54 3.76 -1.26 -4.80 115.29 115.75 3ie1 s HIS 194 Ca 0.00 -0.96 -0.28 0.00 -0.15 0.00 0.00 55.06 53.67 3ie1 s HIS 194 Cb 0.00 -0.68 0.03 0.00 1.11 0.00 0.00 32.58 33.04 3ie1 s HIS 194 CO 0.00 -0.15 1.19 1.03 -0.85 0.00 0.00 174.74 175.96 3ie1 s ARG 195 N -3.88 3.44 -0.02 1.40 0.52 -1.25 -4.92 118.95 114.24 3ie1 s ARG 195 Ca 0.22 0.11 -0.03 0.00 -0.52 0.00 0.00 55.73 55.50 3ie1 s ARG 195 Cb 0.05 -4.05 -0.01 0.00 0.52 0.00 0.00 34.95 31.46 3ie1 s ARG 195 CO 0.03 -1.75 0.10 -2.30 0.02 0.00 0.00 175.30 171.39 3ie1 n PRO 196 N 8.53 0.00 -0.10 3.54 -0.02 -1.26 -4.37 135.00 141.31 3ie1 n PRO 196 Ca 0.07 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.49 3ie1 n PRO 196 Cb 0.49 -0.11 0.01 0.00 -0.02 0.00 0.00 33.50 33.87 3ie1 n PRO 196 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ie1 h TYR 197 N 0.30 -0.28 0.00 6.00 -0.00 -1.89 -2.95 116.97 118.15 3ie1 h TYR 197 Ca -0.03 0.04 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 3ie1 h TYR 197 Cb 0.10 0.18 0.00 0.00 -0.00 0.00 0.00 36.73 37.01 3ie1 h TYR 197 CO 0.04 -0.19 0.00 0.54 -0.00 0.00 0.00 178.16 178.55 3ie1 n ARG 198 N -5.31 0.00 -0.33 1.82 5.12 -1.26 -0.98 116.66 115.71 3ie1 n ARG 198 Ca 0.02 0.27 0.20 0.00 -1.93 0.00 0.00 57.85 56.41 3ie1 n ARG 198 Cb 0.23 -0.63 0.42 0.00 -1.16 0.00 0.00 32.46 31.32 3ie1 n ARG 198 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 3ie1 h GLU 199 N 0.00 0.38 -0.56 5.56 4.11 -1.93 0.32 114.58 122.47 3ie1 h GLU 199 Ca 0.00 -0.02 0.14 0.00 0.07 0.00 0.00 59.36 59.55 3ie1 h GLU 199 Cb 0.00 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3ie1 h GLU 199 CO 0.00 0.25 0.39 1.15 0.07 0.00 0.00 179.01 180.88 3ie1 h THR 200 N 0.39 0.76 0.29 -1.06 2.02 -0.88 0.50 112.91 114.94 3ie1 h THR 200 Ca 0.68 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.82 3ie1 h THR 200 Cb 1.46 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3ie1 h THR 200 CO -0.57 0.02 -0.14 0.58 0.37 0.00 0.00 175.52 175.78 3ie1 h VAL 201 N 0.10 0.61 -0.15 3.16 2.07 0.93 -2.08 116.25 120.89 3ie1 h VAL 201 Ca 0.27 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3ie1 h VAL 201 Cb 0.92 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 3ie1 h VAL 201 CO -0.03 0.13 -0.03 0.03 0.02 0.00 0.00 177.57 177.69 3ie1 h ARG 202 N -0.89 0.01 -0.79 1.57 3.08 -1.25 0.81 114.38 116.93 3ie1 h ARG 202 Ca -0.04 -0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.11 3ie1 h ARG 202 Cb 0.51 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.49 3ie1 h ARG 202 CO 0.06 0.01 0.43 1.49 -1.07 0.00 0.00 179.97 180.89 3ie1 h GLU 203 N 0.01 0.68 -0.20 0.04 4.81 -0.13 -0.54 114.58 119.25 3ie1 h GLU 203 Ca 0.07 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 3ie1 h GLU 203 Cb 0.11 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 3ie1 h GLU 203 CO -0.15 0.45 -0.32 0.35 -0.73 0.00 0.00 179.01 178.61 3ie1 h PHE 204 N 0.71 0.47 0.29 0.92 3.04 -0.60 -3.05 116.94 118.72 3ie1 h PHE 204 Ca 0.39 -0.11 -0.01 0.00 3.98 0.00 0.00 57.97 62.22 3ie1 h PHE 204 Cb 0.41 -0.11 0.00 0.00 2.56 0.00 0.00 35.95 38.81 3ie1 h PHE 204 CO -0.08 0.69 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.69 3ie1 h LEU 205 N 0.36 -0.33 -0.31 0.59 3.38 0.65 -3.11 115.31 116.53 3ie1 h LEU 205 Ca 0.04 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.92 3ie1 h LEU 205 Cb 0.74 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 3ie1 h LEU 205 CO 0.06 -0.00 -0.37 -0.33 0.09 0.00 0.00 178.44 177.89 3ie1 h GLU 206 N -0.68 -0.32 -0.97 1.13 5.08 -1.29 -0.30 114.58 117.23 3ie1 h GLU 206 Ca -0.04 0.02 0.28 0.00 -1.00 0.00 0.00 59.36 58.62 3ie1 h GLU 206 Cb 0.47 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.75 3ie1 h GLU 206 CO 0.07 -0.22 0.69 0.82 -1.00 0.00 0.00 179.01 179.37 3ie1 h ILE 207 N -0.34 0.52 -0.02 3.13 2.04 -1.58 -0.73 117.51 120.53 3ie1 h ILE 207 Ca 0.14 -0.01 -0.17 0.00 1.00 0.00 0.00 64.86 65.82 3ie1 h ILE 207 Cb 0.57 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3ie1 h ILE 207 CO -0.50 0.00 -0.63 -0.07 0.00 0.00 0.00 178.15 176.96 3ie1 h LEU 208 N 0.02 0.60 0.23 1.44 3.38 -0.98 -3.32 115.31 116.68 3ie1 h LEU 208 Ca 0.46 -0.73 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3ie1 h LEU 208 Cb 1.82 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.39 3ie1 h LEU 208 CO -0.02 1.25 -0.11 -0.33 0.09 0.00 0.00 178.44 179.31 3ie1 h GLU 209 N 0.00 -0.30 -0.54 1.13 5.08 -0.80 -2.09 114.58 117.06 3ie1 h GLU 209 Ca -0.07 0.02 0.22 0.00 -1.00 0.00 0.00 59.36 58.53 3ie1 h GLU 209 Cb 1.32 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.55 3ie1 h GLU 209 CO 0.13 -0.20 0.30 1.63 -1.00 0.00 0.00 179.01 179.86 3ie1 n LYS 210 N -3.00 -0.03 -0.07 2.33 4.01 -0.70 0.42 118.16 121.11 3ie1 n LYS 210 Ca -0.04 0.69 -0.06 0.00 -0.51 0.00 0.00 58.31 58.39 3ie1 n LYS 210 Cb 0.12 -1.26 -0.04 0.00 -0.51 0.00 0.00 35.03 33.35 3ie1 n LYS 210 CO 0.00 0.00 0.00 1.79 -1.11 0.00 0.00 177.40 178.08 3ie1 h THR 211 N 0.00 0.32 -0.94 -0.18 1.35 -1.64 -3.35 112.91 108.47 3ie1 h THR 211 Ca 0.43 -1.31 0.17 0.00 -0.55 0.00 0.00 66.41 65.16 3ie1 h THR 211 Cb 1.19 0.67 -0.08 0.00 -1.73 0.00 0.00 68.15 68.20 3ie1 h THR 211 CO -0.37 0.11 0.60 -0.07 -0.25 0.00 0.00 175.52 175.54 3ie1 h LEU 212 N -1.00 0.64 -2.49 3.87 3.38 -0.15 0.39 115.31 119.94 3ie1 h LEU 212 Ca -0.05 0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3ie1 h LEU 212 Cb 0.50 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3ie1 h LEU 212 CO -0.03 0.28 0.13 0.28 0.09 0.00 0.00 178.44 179.19 3ie1 h SER 213 N 0.65 0.00 -1.06 -0.43 0.02 -0.20 -1.55 113.55 110.98 3ie1 h SER 213 Ca 0.50 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.88 3ie1 h SER 213 Cb 0.90 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 63.01 3ie1 h SER 213 CO -0.25 0.00 -0.73 0.00 -1.14 0.00 0.00 176.83 174.71 3ie1 n GLN 214 N -3.34 3.52 -0.88 3.45 10.64 0.12 -4.93 117.38 125.97 3ie1 n GLN 214 Ca -0.01 -4.27 -0.05 0.00 -1.83 0.00 0.00 57.00 50.84 3ie1 n GLN 214 Cb 0.22 -2.27 -0.02 0.00 -0.86 0.00 0.00 30.24 27.31 3ie1 n GLN 214 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3ie1 n GLY 215 N -0.63 0.44 3.95 2.61 0.00 -0.58 -4.92 105.19 106.06 3ie1 n GLY 215 Ca 0.43 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.19 3ie1 n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie1 s GLY 216 N -1.51 1.74 0.54 -0.02 0.00 -0.34 -2.30 107.32 105.42 3ie1 s GLY 216 Ca 0.00 -1.24 0.04 0.00 0.00 0.00 0.00 44.72 43.52 3ie1 s GLY 216 CO 0.00 -0.72 0.31 0.54 0.00 0.00 0.00 173.10 173.23 3ie1 s LYS 217 N -5.33 2.24 -0.15 2.90 1.02 -1.26 -3.43 119.74 115.73 3ie1 s LYS 217 Ca 0.65 -2.12 -0.05 0.00 0.02 0.00 0.00 55.97 54.48 3ie1 s LYS 217 Cb -0.08 -1.96 0.06 0.00 -0.52 0.00 0.00 37.83 35.33 3ie1 s LYS 217 CO 0.46 -0.57 0.08 0.08 -0.92 0.00 0.00 175.35 174.49 3ie1 s VAL 218 N -2.80 -0.08 -0.03 3.17 1.01 -1.22 -0.63 120.40 119.82 3ie1 s VAL 218 Ca 0.27 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.87 3ie1 s VAL 218 Cb -0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 3ie1 s VAL 218 CO 0.17 -0.22 0.96 -0.76 0.00 0.00 0.00 175.10 175.25 3ie1 s LEU 219 N 2.14 4.34 -0.20 3.92 1.02 0.41 -1.36 118.68 128.94 3ie1 s LEU 219 Ca 0.02 1.59 -0.04 0.00 0.02 0.00 0.00 54.13 55.72 3ie1 s LEU 219 Cb -0.15 -3.52 0.08 0.00 0.02 0.00 0.00 46.19 42.61 3ie1 s LEU 219 CO -0.08 -0.29 0.13 -0.63 0.02 0.00 0.00 176.35 175.50 3ie1 s ILE 220 N 1.21 -0.14 -0.20 -0.59 1.01 -0.85 0.52 121.20 122.15 3ie1 s ILE 220 Ca 0.50 -0.26 -0.23 0.00 0.00 0.00 0.00 60.65 60.67 3ie1 s ILE 220 Cb -0.20 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.58 3ie1 s ILE 220 CO 0.25 -0.34 0.72 -2.16 0.00 0.00 0.00 174.94 173.40 3ie1 s PRO 221 N 2.18 4.22 -0.11 2.79 0.04 -1.26 -2.05 135.00 140.82 3ie1 s PRO 221 Ca 0.04 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 61.74 3ie1 s PRO 221 Cb -0.16 -3.59 0.03 0.00 0.04 0.00 0.00 34.50 30.82 3ie1 s PRO 221 CO -0.15 -0.32 0.32 0.95 0.04 0.00 0.00 177.00 177.84 3ie1 s THR 222 N 2.18 0.01 0.11 1.26 -4.23 -0.71 -4.45 115.64 109.80 3ie1 s THR 222 Ca 0.32 -0.07 -0.31 0.00 -1.18 0.00 0.00 61.69 60.45 3ie1 s THR 222 Cb -0.16 -0.48 -0.07 0.00 1.34 0.00 0.00 72.50 73.13 3ie1 s THR 222 CO 0.10 -0.04 1.30 -0.36 -0.54 0.00 0.00 174.62 175.08 3ie1 s PHE 223 N -0.05 3.33 0.00 3.99 0.40 -1.26 -4.01 117.98 120.37 3ie1 s PHE 223 Ca -0.02 1.14 0.00 0.00 -0.60 0.00 0.00 56.93 57.45 3ie1 s PHE 223 Cb -0.03 -3.56 0.00 0.00 0.51 0.00 0.00 43.02 39.94 3ie1 s PHE 223 CO 0.01 -1.85 0.39 0.00 0.70 0.00 0.00 175.22 174.47 3ie1 n ALA 224 N 3.65 1.97 -1.49 5.36 0.00 -1.26 -2.62 120.51 126.13 3ie1 n ALA 224 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3ie1 n ALA 224 Cb 0.44 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3ie1 n ALA 224 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3ie1 n VAL 225 N 1.56 0.00 -0.07 0.00 0.31 -1.26 -4.31 118.33 114.56 3ie1 n VAL 225 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 3ie1 n VAL 225 Cb 0.12 -0.32 -0.04 0.00 -0.91 0.00 0.00 33.84 32.69 3ie1 n VAL 225 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3ie1 n GLU 226 N -0.54 0.42 -0.35 5.55 0.00 -1.25 -4.63 120.64 119.82 3ie1 n GLU 226 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 57.16 57.34 3ie1 n GLU 226 Cb 0.00 -1.22 0.07 0.00 0.00 0.00 0.00 31.44 30.29 3ie1 n GLU 226 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3ie1 h ARG 227 N -0.76 -0.01 0.00 5.31 9.65 -1.97 -1.07 114.38 125.53 3ie1 h ARG 227 Ca -0.17 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3ie1 h ARG 227 Cb 0.98 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 3ie1 h ARG 227 CO -0.10 -0.01 0.00 0.00 2.80 0.00 0.00 179.97 182.66 3ie1 n ALA 228 N -3.48 -0.00 0.17 2.80 0.00 -1.08 -2.16 120.51 116.75 3ie1 n ALA 228 Ca 0.12 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.67 3ie1 n ALA 228 Cb 0.43 0.17 0.61 0.00 0.00 0.00 0.00 19.45 20.66 3ie1 n ALA 228 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3ie1 h GLN 229 N 0.00 0.00 0.00 0.00 -0.00 -1.79 0.26 115.11 113.58 3ie1 h GLN 229 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 3ie1 h GLN 229 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 3ie1 h GLN 229 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 178.83 180.32 3ie1 h GLU 230 N 0.00 0.00 0.13 0.06 4.81 -0.68 -2.70 114.58 116.21 3ie1 h GLU 230 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3ie1 h GLU 230 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 3ie1 h GLU 230 CO 0.00 0.00 -0.06 0.82 -0.73 0.00 0.00 179.01 179.04 3ie1 h ILE 231 N 0.00 0.02 0.00 2.32 1.08 -0.26 -3.14 117.51 117.53 3ie1 h ILE 231 Ca 0.00 -0.88 0.00 0.00 -0.39 0.00 0.00 64.86 63.59 3ie1 h ILE 231 Cb 0.42 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.20 3ie1 h ILE 231 CO 0.00 0.00 0.55 -0.07 -0.69 0.00 0.00 178.15 177.95 3ie1 h LEU 232 N -1.05 0.00 0.09 1.44 3.38 -1.55 0.47 115.31 118.09 3ie1 h LEU 232 Ca -0.02 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 3ie1 h LEU 232 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3ie1 h LEU 232 CO 0.03 0.00 -0.84 0.22 0.09 0.00 0.00 178.44 177.94 3ie1 h TYR 233 N 0.00 0.34 0.00 1.13 3.20 -1.48 -0.07 116.97 120.08 3ie1 h TYR 233 Ca 0.00 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.62 3ie1 h TYR 233 Cb 1.11 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.36 3ie1 h TYR 233 CO 0.00 1.32 0.00 0.28 -1.64 0.00 0.00 178.16 178.12 3ie1 h VAL 234 N -0.56 0.00 0.00 1.81 2.07 -0.05 -0.84 116.25 118.69 3ie1 h VAL 234 Ca -0.17 -0.27 -0.17 0.00 0.82 0.00 0.00 66.70 66.91 3ie1 h VAL 234 Cb 1.50 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.39 3ie1 h VAL 234 CO 0.06 0.00 -0.98 -0.07 0.02 0.00 0.00 177.57 176.60 3ie1 h LEU 235 N 0.00 0.00 -1.10 2.57 3.38 -1.34 -2.89 115.31 115.93 3ie1 h LEU 235 Ca 0.00 -0.51 0.18 0.00 0.09 0.00 0.00 57.88 57.64 3ie1 h LEU 235 Cb 0.30 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 3ie1 h LEU 235 CO 0.00 1.32 0.61 0.22 0.09 0.00 0.00 178.44 180.69 3ie1 h TYR 236 N -1.00 0.99 0.03 1.13 3.20 -0.66 1.45 116.97 122.12 3ie1 h TYR 236 Ca -0.26 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.40 3ie1 h TYR 236 Cb 1.15 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.09 3ie1 h TYR 236 CO 0.09 0.26 -1.20 1.79 -1.64 0.00 0.00 178.16 177.46 3ie1 h THR 237 N 0.75 1.50 -0.33 1.81 1.35 -1.32 -3.36 112.91 113.31 3ie1 h THR 237 Ca 0.54 -3.20 -0.24 0.00 -0.55 0.00 0.00 66.41 62.96 3ie1 h THR 237 Cb 0.86 2.79 -0.20 0.00 -1.73 0.00 0.00 68.15 69.87 3ie1 h THR 237 CO -0.32 0.88 -0.66 1.41 -0.25 0.00 0.00 175.52 176.57 3ie1 n HIS 238 N -3.34 1.19 0.35 4.73 8.25 -0.63 -4.68 115.22 121.09 3ie1 n HIS 238 Ca -0.05 -1.79 0.12 0.00 -0.26 0.00 0.00 57.72 55.73 3ie1 n HIS 238 Cb 0.98 -0.29 0.11 0.00 1.12 0.00 0.00 29.99 31.92 3ie1 n HIS 238 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3ie1 h GLY 239 N 1.53 0.00 1.94 -1.41 0.00 0.18 -3.32 103.07 101.99 3ie1 h GLY 239 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 3ie1 h GLY 239 CO 0.33 0.00 -0.14 1.12 0.00 0.00 0.00 176.54 177.85 3ie1 h HIS 240 N 0.00 0.07 -0.92 5.60 2.07 -1.83 -2.47 115.15 117.68 3ie1 h HIS 240 Ca 0.00 -0.01 -0.61 0.00 -2.85 0.00 0.00 60.37 56.90 3ie1 h HIS 240 Cb 0.88 -0.02 -0.31 0.00 2.57 0.00 0.00 27.41 30.53 3ie1 h HIS 240 CO 0.00 0.21 0.49 2.89 -3.07 0.00 0.00 177.93 178.45 3ie1 n ARG 241 N -4.34 2.76 -4.09 5.12 1.85 -1.25 -4.93 116.66 111.79 3ie1 n ARG 241 Ca -0.02 -3.41 -0.19 0.00 -1.00 0.00 0.00 57.85 53.23 3ie1 n ARG 241 Cb 0.23 -2.25 -0.16 0.00 -1.05 0.00 0.00 32.46 29.23 3ie1 n ARG 241 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3ie1 s LEU 242 N -3.70 1.29 0.21 2.89 1.43 -0.93 -5.03 118.68 114.85 3ie1 s LEU 242 Ca 0.60 -0.09 -0.32 0.00 -1.03 0.00 0.00 54.13 53.29 3ie1 s LEU 242 Cb 0.48 -0.37 -0.14 0.00 0.03 0.00 0.00 46.19 46.20 3ie1 s LEU 242 CO 0.01 -0.07 1.40 -0.81 0.23 0.00 0.00 176.35 177.12 3ie1 n PRO 243 N 4.05 1.91 -1.36 1.29 -0.04 -1.26 -4.83 135.00 134.75 3ie1 n PRO 243 Ca -0.26 0.68 -0.52 0.00 -0.04 0.00 0.00 63.50 63.36 3ie1 n PRO 243 Cb 0.51 -2.33 -0.07 0.00 -0.04 0.00 0.00 33.50 31.57 3ie1 n PRO 243 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ie1 n ARG 244 N 2.23 0.00 0.00 0.54 5.12 -1.26 -4.94 116.66 118.35 3ie1 n ARG 244 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 3ie1 n ARG 244 Cb 0.30 -1.29 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 3ie1 n ARG 244 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3ie1 n ALA 245 N 1.14 0.00 -1.52 7.54 0.00 -1.26 -4.92 120.51 121.48 3ie1 n ALA 245 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.27 3ie1 n ALA 245 Cb 0.10 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.62 3ie1 n ALA 245 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ie1 s PRO 246 N 0.00 2.42 -0.32 0.00 0.04 -1.26 -4.71 135.00 131.17 3ie1 s PRO 246 Ca 0.00 1.83 0.04 0.00 0.04 0.00 0.00 61.00 62.90 3ie1 s PRO 246 Cb 0.00 -1.86 0.09 0.00 0.04 0.00 0.00 34.50 32.77 3ie1 s PRO 246 CO 0.00 -1.63 0.02 0.42 0.04 0.00 0.00 177.00 175.84 3ie1 s ILE 247 N -1.79 2.19 -0.17 0.56 1.01 -1.02 -2.38 121.20 119.60 3ie1 s ILE 247 Ca 0.76 -2.14 -0.19 0.00 0.00 0.00 0.00 60.65 59.08 3ie1 s ILE 247 Cb -0.31 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 3ie1 s ILE 247 CO 0.41 -0.47 0.54 -0.31 0.00 0.00 0.00 174.94 175.11 3ie1 s TYR 248 N 0.98 3.42 -0.55 3.97 1.51 -1.13 -1.35 117.35 124.21 3ie1 s TYR 248 Ca 0.06 0.86 -0.20 0.00 -1.01 0.00 0.00 57.07 56.78 3ie1 s TYR 248 Cb -0.19 -2.67 0.07 0.00 -0.11 0.00 0.00 41.96 39.06 3ie1 s TYR 248 CO -0.08 -0.03 0.73 -1.17 -1.11 0.00 0.00 175.55 173.89 3ie1 s LEU 249 N 1.36 4.89 -1.04 -1.29 2.96 0.04 -2.79 118.68 122.81 3ie1 s LEU 249 Ca 0.26 -0.99 -0.14 0.00 -0.22 0.00 0.00 54.13 53.04 3ie1 s LEU 249 Cb -0.16 -2.45 0.19 0.00 0.50 0.00 0.00 46.19 44.27 3ie1 s LEU 249 CO 0.10 -1.07 1.15 -0.62 -1.32 0.00 0.00 176.35 174.60 3ie1 s ASP 250 N 3.09 6.95 0.00 3.68 2.15 0.30 -2.67 116.67 130.17 3ie1 s ASP 250 Ca 0.17 -2.81 0.00 0.00 0.43 0.00 0.00 52.55 50.34 3ie1 s ASP 250 Cb -0.19 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 3ie1 s ASP 250 CO 0.11 -0.70 0.00 -0.24 -0.17 0.00 0.00 175.17 174.18 3ie1 n SER 251 N 4.90 0.00 0.20 -0.34 2.88 -1.26 -4.00 113.62 116.01 3ie1 n SER 251 Ca 0.26 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.87 3ie1 n SER 251 Cb 0.45 0.00 0.40 0.00 -0.75 0.00 0.00 64.21 64.30 3ie1 n SER 251 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3ie1 h PRO 252 N 0.00 0.00 0.02 -1.46 0.11 -1.83 0.36 132.00 129.21 3ie1 h PRO 252 Ca 0.00 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.83 3ie1 h PRO 252 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 3ie1 h PRO 252 CO 0.00 0.00 -1.51 -0.12 -0.21 0.00 0.00 178.00 176.16 3ie1 n MET 253 N -2.21 0.60 0.23 1.05 1.56 -1.26 -3.39 117.12 113.71 3ie1 n MET 253 Ca -0.01 0.49 0.18 0.00 -0.27 0.00 0.00 57.70 58.09 3ie1 n MET 253 Cb 0.40 -1.72 0.81 0.00 2.15 0.00 0.00 33.22 34.86 3ie1 n MET 253 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3ie1 h ALA 254 N -0.42 1.68 0.22 -5.12 0.00 -0.53 -0.48 119.26 114.62 3ie1 h ALA 254 Ca -0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3ie1 h ALA 254 Cb 1.47 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3ie1 h ALA 254 CO -0.17 -0.44 -0.11 0.78 0.00 0.00 0.00 179.25 179.32 3ie1 h GLY 255 N 0.00 -0.31 -0.73 0.00 0.00 -1.30 -2.39 103.07 98.34 3ie1 h GLY 255 Ca 0.09 0.11 0.39 0.00 0.00 0.00 0.00 47.33 47.92 3ie1 h GLY 255 CO -0.00 -0.11 0.96 3.21 0.00 0.00 0.00 176.54 180.60 3ie1 h ARG 256 N -1.02 0.03 0.15 4.80 3.08 -1.12 0.49 114.38 120.80 3ie1 h ARG 256 Ca -0.03 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3ie1 h ARG 256 Cb 0.39 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3ie1 h ARG 256 CO 0.05 0.02 -0.07 0.28 -1.07 0.00 0.00 179.97 179.17 3ie1 h VAL 257 N 0.03 0.82 -0.78 2.04 2.07 -1.40 -3.05 116.25 115.99 3ie1 h VAL 257 Ca 0.66 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 67.06 3ie1 h VAL 257 Cb 2.55 1.40 -0.05 0.00 -1.52 0.00 0.00 31.29 33.68 3ie1 h VAL 257 CO -0.04 0.22 0.51 0.25 0.02 0.00 0.00 177.57 178.53 3ie1 h LEU 258 N -0.88 0.79 0.00 2.57 5.85 -0.31 0.56 115.31 123.89 3ie1 h LEU 258 Ca -0.02 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3ie1 h LEU 258 Cb 0.52 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3ie1 h LEU 258 CO 0.03 0.53 0.00 -1.20 -0.34 0.00 0.00 178.44 177.47 3ie1 n SER 259 N -4.46 0.00 -0.05 1.25 7.64 0.15 -2.47 113.62 115.67 3ie1 n SER 259 Ca 0.10 -0.30 -0.06 0.00 1.01 0.00 0.00 58.87 59.62 3ie1 n SER 259 Cb 0.15 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.25 3ie1 n SER 259 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3ie1 n LEU 260 N -1.04 1.56 -0.27 -3.43 7.94 0.19 -4.69 117.00 117.25 3ie1 n LEU 260 Ca 0.08 -0.03 0.08 0.00 -1.11 0.00 0.00 56.01 55.03 3ie1 n LEU 260 Cb 0.05 -0.11 0.21 0.00 0.53 0.00 0.00 43.42 44.10 3ie1 n LEU 260 CO 0.07 0.47 0.88 1.88 -1.11 0.00 0.00 177.39 179.58 3ie1 h TYR 261 N 0.00 0.14 -1.10 1.96 0.99 -0.98 0.43 116.97 118.41 3ie1 h TYR 261 Ca -0.26 0.05 0.31 0.00 2.00 0.00 0.00 58.73 60.83 3ie1 h TYR 261 Cb 1.49 0.07 -0.06 0.00 1.00 0.00 0.00 36.73 39.22 3ie1 h TYR 261 CO 0.01 -0.21 0.76 -1.35 -0.00 0.00 0.00 178.16 177.37 3ie1 h PRO 262 N 0.16 0.13 0.00 4.88 0.11 -1.84 0.37 132.00 135.81 3ie1 h PRO 262 Ca 0.47 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.39 3ie1 h PRO 262 Cb 0.87 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.93 3ie1 h PRO 262 CO -0.65 0.08 -0.82 0.00 -0.21 0.00 0.00 178.00 176.40 3ie1 h ARG 263 N 0.13 0.03 -0.61 1.05 3.08 -0.46 -3.28 114.38 114.32 3ie1 h ARG 263 Ca 0.56 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.57 3ie1 h ARG 263 Cb 1.94 0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.00 3ie1 h ARG 263 CO -0.11 0.84 0.00 1.28 -1.07 0.00 0.00 179.97 180.91 3ie1 n LEU 264 N -3.59 3.68 -0.41 3.04 4.32 0.12 -4.66 117.00 119.50 3ie1 n LEU 264 Ca -0.01 -1.85 0.36 0.00 -0.02 0.00 0.00 56.01 54.49 3ie1 n LEU 264 Cb 0.78 -0.49 0.64 0.00 -1.62 0.00 0.00 43.42 42.73 3ie1 n LEU 264 CO 0.45 0.66 1.17 1.62 -1.22 0.00 0.00 177.39 180.07 3ie1 h VAL 265 N 3.19 0.03 0.00 4.08 3.04 -1.48 0.47 116.25 125.59 3ie1 h VAL 265 Ca 0.00 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 65.67 3ie1 h VAL 265 Cb 1.12 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 30.40 3ie1 h VAL 265 CO 0.16 0.01 -0.05 0.08 -1.01 0.00 0.00 177.57 176.75 3ie1 h ARG 266 N 0.03 0.00 -0.05 4.17 0.11 -1.91 -2.87 114.38 113.87 3ie1 h ARG 266 Ca 0.86 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.94 3ie1 h ARG 266 Cb 2.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.63 3ie1 h ARG 266 CO -0.57 0.05 0.00 0.66 0.10 0.00 0.00 179.97 180.21 3ie1 n TYR 267 N -3.22 0.06 -3.34 4.08 4.01 0.16 -4.89 117.16 114.03 3ie1 n TYR 267 Ca -0.01 -0.03 -0.15 0.00 -0.16 0.00 0.00 57.90 57.55 3ie1 n TYR 267 Cb 0.26 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.31 3ie1 n TYR 267 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3ie1 n PHE 268 N -0.36 -1.83 -1.96 -0.72 3.72 -1.08 -4.46 117.46 110.76 3ie1 n PHE 268 Ca 0.17 -1.52 -0.33 0.00 -0.05 0.00 0.00 57.45 55.72 3ie1 n PHE 268 Cb 0.19 -0.35 0.02 0.00 -0.94 0.00 0.00 39.48 38.40 3ie1 n PHE 268 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3ie1 s SER 269 N -3.38 5.47 0.17 4.37 1.04 -0.25 -4.59 113.70 116.53 3ie1 s SER 269 Ca 0.33 1.97 -0.23 0.00 0.48 0.00 0.00 55.95 58.50 3ie1 s SER 269 Cb -0.03 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.60 3ie1 s SER 269 CO 0.21 -1.38 1.59 -0.33 0.98 0.00 0.00 173.24 174.31 3ie1 h GLU 270 N 0.41 -0.23 -0.24 4.02 4.39 -1.91 0.10 114.58 121.12 3ie1 h GLU 270 Ca -0.47 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.27 3ie1 h GLU 270 Cb 1.24 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.90 3ie1 h GLU 270 CO 0.56 -0.16 -0.27 1.49 -1.16 0.00 0.00 179.01 179.47 3ie1 h GLU 271 N -0.24 -0.16 -0.56 2.33 4.81 -1.92 1.79 114.58 120.64 3ie1 h GLU 271 Ca 0.18 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.58 3ie1 h GLU 271 Cb 0.55 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 3ie1 h GLU 271 CO -0.60 -0.10 0.64 0.28 -0.73 0.00 0.00 179.01 178.50 3ie1 h VAL 272 N -0.16 0.26 0.21 0.32 2.07 -1.52 0.73 116.25 118.16 3ie1 h VAL 272 Ca 0.04 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.22 3ie1 h VAL 272 Cb 0.27 0.48 0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3ie1 h VAL 272 CO -0.31 0.00 -1.61 1.56 0.02 0.00 0.00 177.57 177.23 3ie1 h GLN 273 N 0.00 0.43 -0.96 1.57 4.20 0.31 -3.09 115.11 117.57 3ie1 h GLN 273 Ca 0.26 -0.74 0.12 0.00 0.06 0.00 0.00 58.65 58.35 3ie1 h GLN 273 Cb 1.54 0.28 -0.08 0.00 0.30 0.00 0.00 27.48 29.52 3ie1 h GLN 273 CO -0.00 1.35 0.61 0.00 -0.67 0.00 0.00 178.83 180.11 3ie1 h ALA 274 N 0.19 1.60 -0.05 3.87 0.00 0.87 -1.30 119.26 124.44 3ie1 h ALA 274 Ca -0.29 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3ie1 h ALA 274 Cb 2.12 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.71 3ie1 h ALA 274 CO 0.22 0.16 -0.01 0.45 0.00 0.00 0.00 179.25 180.08 3ie1 h HIS 275 N 0.92 0.10 -0.35 0.00 3.86 -1.27 -2.93 115.15 115.47 3ie1 h HIS 275 Ca 0.47 -0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.72 3ie1 h HIS 275 Cb 0.52 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.94 3ie1 h HIS 275 CO -0.00 0.40 0.24 0.74 0.86 0.00 0.00 177.93 180.17 3ie1 h PHE 276 N -0.23 0.23 0.00 2.45 0.04 -1.24 0.02 116.94 118.22 3ie1 h PHE 276 Ca 0.01 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3ie1 h PHE 276 Cb 0.36 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.43 3ie1 h PHE 276 CO 0.04 0.13 -0.12 1.25 -0.60 0.00 0.00 178.31 179.01 3ie1 h LEU 277 N 0.24 0.00 -0.31 1.54 5.85 -1.09 -1.19 115.31 120.35 3ie1 h LEU 277 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3ie1 h LEU 277 Cb 0.32 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3ie1 h LEU 277 CO -0.03 0.12 0.00 0.00 -0.34 0.00 0.00 178.44 178.19 3ie1 n GLN 278 N -3.36 1.21 -0.79 1.25 1.13 -0.02 -4.83 117.38 111.96 3ie1 n GLN 278 Ca -0.01 -0.31 0.00 0.00 -1.94 0.00 0.00 57.00 54.75 3ie1 n GLN 278 Cb 0.32 -1.33 0.00 0.00 0.11 0.00 0.00 30.24 29.34 3ie1 n GLN 278 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ie1 n GLY 279 N 0.89 0.87 3.79 1.08 0.00 -0.45 -5.02 105.19 106.36 3ie1 n GLY 279 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 3ie1 n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie1 s LYS 280 N -0.21 3.96 -0.85 1.61 1.02 -1.14 -5.01 119.74 119.12 3ie1 s LYS 280 Ca 0.00 0.03 -0.14 0.00 0.02 0.00 0.00 55.97 55.88 3ie1 s LYS 280 Cb 0.00 -3.32 0.21 0.00 -0.52 0.00 0.00 37.83 34.20 3ie1 s LYS 280 CO 0.00 0.48 0.81 1.21 -0.92 0.00 0.00 175.35 176.93 3ie1 s ASN 281 N -0.24 6.77 0.00 2.83 3.84 -1.26 -2.93 114.94 123.94 3ie1 s ASN 281 Ca 0.16 -2.66 0.00 0.00 0.21 0.00 0.00 52.86 50.57 3ie1 s ASN 281 Cb -0.13 -2.23 0.00 0.00 -0.55 0.00 0.00 41.25 38.34 3ie1 s ASN 281 CO 0.04 -0.61 0.02 -0.81 -2.79 0.00 0.00 177.10 172.95 3ie1 n PRO 282 N 4.19 0.03 -0.25 0.43 -0.04 -1.26 -2.69 135.00 135.40 3ie1 n PRO 282 Ca 0.15 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 3ie1 n PRO 282 Cb 0.47 -1.02 0.16 0.00 -0.04 0.00 0.00 33.50 33.07 3ie1 n PRO 282 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ie1 n PHE 283 N 0.43 0.00 -3.06 0.54 3.72 -1.26 -4.23 117.46 113.60 3ie1 n PHE 283 Ca 0.00 -1.12 -0.16 0.00 -0.05 0.00 0.00 57.45 56.12 3ie1 n PHE 283 Cb 0.01 -0.18 -0.00 0.00 -0.94 0.00 0.00 39.48 38.37 3ie1 n PHE 283 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3ie1 n ARG 284 N -1.29 0.92 -1.49 -1.08 1.74 -1.10 -4.89 116.66 109.48 3ie1 n ARG 284 Ca 0.16 -2.91 -0.40 0.00 -0.77 0.00 0.00 57.85 53.94 3ie1 n ARG 284 Cb 0.66 -1.45 0.03 0.00 -1.02 0.00 0.00 32.46 30.67 3ie1 n ARG 284 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3ie1 n PRO 285 N 0.60 0.67 -1.56 5.56 -0.04 -1.26 -4.74 135.00 134.23 3ie1 n PRO 285 Ca 0.19 0.25 -0.51 0.00 -0.04 0.00 0.00 63.50 63.39 3ie1 n PRO 285 Cb 0.64 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 3ie1 n PRO 285 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ie1 n ALA 286 N -1.28 -1.34 0.00 0.55 0.00 -1.26 -1.19 120.51 115.99 3ie1 n ALA 286 Ca 0.11 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3ie1 n ALA 286 Cb 0.44 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.90 3ie1 n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie1 n GLY 287 N 2.14 1.88 3.55 0.00 0.00 -1.26 -4.73 105.19 106.76 3ie1 n GLY 287 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3ie1 n GLY 287 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ie1 n LEU 288 N 0.00 2.35 -3.45 0.99 7.94 -0.33 -2.42 117.00 122.07 3ie1 n LEU 288 Ca 0.00 0.74 0.01 0.00 -1.11 0.00 0.00 56.01 55.65 3ie1 n LEU 288 Cb 0.00 -1.29 -0.03 0.00 0.53 0.00 0.00 43.42 42.62 3ie1 n LEU 288 CO 0.00 -2.46 0.38 -0.70 -1.11 0.00 0.00 177.39 173.50 3ie1 s GLU 289 N -2.58 0.46 -0.29 1.96 2.56 -0.45 -4.85 118.70 115.50 3ie1 s GLU 289 Ca 0.72 1.07 -0.20 0.00 0.00 0.00 0.00 54.97 56.56 3ie1 s GLU 289 Cb -0.41 0.64 -0.01 0.00 2.00 0.00 0.00 34.13 36.35 3ie1 s GLU 289 CO 0.51 -0.24 0.64 0.08 -0.56 0.00 0.00 175.26 175.69 3ie1 s VAL 290 N 2.76 4.95 -0.25 3.70 1.01 -1.26 -0.78 120.40 130.52 3ie1 s VAL 290 Ca -0.00 0.98 -0.15 0.00 0.00 0.00 0.00 61.98 62.81 3ie1 s VAL 290 Cb -0.10 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3ie1 s VAL 290 CO -0.18 -0.08 0.37 -0.69 0.00 0.00 0.00 175.10 174.51 3ie1 s VAL 291 N 2.59 5.19 0.00 2.92 1.01 -1.09 -4.96 120.40 126.06 3ie1 s VAL 291 Ca 0.26 0.59 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3ie1 s VAL 291 Cb -0.15 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3ie1 s VAL 291 CO 0.11 0.19 0.00 -0.62 0.00 0.00 0.00 175.10 174.78 3ie1 n GLU 292 N 5.03 0.00 -1.46 2.72 -0.58 -1.26 -4.26 120.64 120.83 3ie1 n GLU 292 Ca -0.09 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.25 3ie1 n GLU 292 Cb 0.51 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.40 3ie1 n GLU 292 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 3ie1 n HIS 293 N 0.00 -0.56 -0.33 -0.32 8.25 -1.26 -4.66 115.22 116.33 3ie1 n HIS 293 Ca 0.00 0.52 0.09 0.00 -0.26 0.00 0.00 57.72 58.07 3ie1 n HIS 293 Cb 0.00 -1.98 0.28 0.00 1.12 0.00 0.00 29.99 29.41 3ie1 n HIS 293 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3ie1 h THR 294 N 0.57 0.90 -0.42 1.59 2.02 -2.01 -3.16 112.91 112.40 3ie1 h THR 294 Ca -0.43 -0.31 0.06 0.00 0.77 0.00 0.00 66.41 66.50 3ie1 h THR 294 Cb 1.40 -0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.65 3ie1 h THR 294 CO 0.49 0.17 -0.17 -0.62 0.37 0.00 0.00 175.52 175.76 3ie1 n GLU 295 N -4.60 -0.11 0.16 6.66 4.71 -1.26 0.12 120.64 126.32 3ie1 n GLU 295 Ca 0.18 0.65 0.13 0.00 -0.01 0.00 0.00 57.16 58.11 3ie1 n GLU 295 Cb 0.39 -0.96 0.32 0.00 -1.01 0.00 0.00 31.44 30.18 3ie1 n GLU 295 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3ie1 h ALA 296 N 0.54 1.00 -0.02 0.62 0.00 -1.92 -3.18 119.26 116.30 3ie1 h ALA 296 Ca 0.14 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.79 3ie1 h ALA 296 Cb 0.24 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.05 3ie1 h ALA 296 CO -0.41 0.00 -1.00 1.03 0.00 0.00 0.00 179.25 178.86 3ie1 h SER 297 N 0.00 0.91 0.35 0.00 0.87 0.71 -3.00 113.55 113.39 3ie1 h SER 297 Ca 0.00 -0.71 -0.05 0.00 -1.23 0.00 0.00 61.79 59.80 3ie1 h SER 297 Cb 0.82 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3ie1 h SER 297 CO 0.00 1.51 -0.22 0.11 -0.53 0.00 0.00 176.83 177.70 3ie1 h LYS 298 N 0.42 0.00 0.00 2.24 1.79 -1.42 -1.54 116.57 118.06 3ie1 h LYS 298 Ca -0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 3ie1 h LYS 298 Cb 1.65 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.30 3ie1 h LYS 298 CO 0.20 0.22 0.00 0.00 -1.08 0.00 0.00 179.45 178.79 3ie1 h ALA 299 N 1.78 1.00 -0.10 3.86 0.00 -1.51 -3.02 119.26 121.27 3ie1 h ALA 299 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3ie1 h ALA 299 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3ie1 h ALA 299 CO 0.03 0.00 -0.68 -0.07 0.00 0.00 0.00 179.25 178.53 3ie1 h LEU 300 N 0.00 0.51 -0.67 0.00 3.38 -1.18 -1.06 115.31 116.29 3ie1 h LEU 300 Ca 0.00 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.60 3ie1 h LEU 300 Cb 0.61 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3ie1 h LEU 300 CO 0.00 1.05 0.20 0.78 0.09 0.00 0.00 178.44 180.55 3ie1 h ASN 301 N 0.31 0.99 0.75 -0.43 2.35 -1.59 -3.00 115.58 114.96 3ie1 h ASN 301 Ca -0.02 -0.21 -0.23 0.00 -0.55 0.00 0.00 56.30 55.29 3ie1 h ASN 301 Cb 1.25 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 3ie1 h ASN 301 CO 0.12 0.94 -1.05 0.08 -1.65 0.00 0.00 177.43 175.88 3ie1 h ARG 302 N 0.98 0.15 -6.72 0.81 0.11 -1.61 -3.45 114.38 104.66 3ie1 h ARG 302 Ca 0.21 -0.23 -0.52 0.00 0.10 0.00 0.00 59.98 59.55 3ie1 h ARG 302 Cb 0.32 0.08 0.03 0.00 1.11 0.00 0.00 29.97 31.51 3ie1 h ARG 302 CO -0.00 1.06 0.60 0.00 0.10 0.00 0.00 179.97 181.73 3ie1 s ALA 303 N -2.85 3.48 0.41 0.08 0.00 -0.41 -4.99 121.76 117.48 3ie1 s ALA 303 Ca -0.02 1.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 3ie1 s ALA 303 Cb 0.09 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.68 3ie1 s ALA 303 CO 0.84 -0.46 1.11 -1.25 0.00 0.00 0.00 175.76 176.01 3ie1 s PRO 304 N -0.53 4.07 0.48 0.00 0.04 -1.26 -4.89 135.00 132.90 3ie1 s PRO 304 Ca 0.53 1.67 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 3ie1 s PRO 304 Cb -0.35 -2.58 0.12 0.00 0.04 0.00 0.00 34.50 31.73 3ie1 s PRO 304 CO 0.40 -0.26 0.36 0.41 0.04 0.00 0.00 177.00 177.95 3ie1 n GLY 305 N 0.49 -3.10 3.85 0.56 0.00 -0.97 -4.87 105.19 101.14 3ie1 n GLY 305 Ca 0.05 -1.37 -0.30 0.00 0.00 0.00 0.00 46.02 44.39 3ie1 n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ie1 s PRO 306 N -3.83 2.55 0.00 1.61 0.04 -1.14 -4.71 135.00 129.52 3ie1 s PRO 306 Ca 0.25 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.86 3ie1 s PRO 306 Cb -0.03 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.53 3ie1 s PRO 306 CO 0.20 -1.28 0.00 0.00 0.04 0.00 0.00 177.00 175.96 3ie1 n MET 307 N -3.19 0.00 -2.47 4.56 0.00 -1.22 -4.54 117.12 110.26 3ie1 n MET 307 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.35 3ie1 n MET 307 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.75 3ie1 n MET 307 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3ie1 s VAL 308 N 0.00 4.00 -0.08 3.17 1.01 -1.00 -3.39 120.40 124.11 3ie1 s VAL 308 Ca 0.00 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.55 3ie1 s VAL 308 Cb 0.00 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3ie1 s VAL 308 CO 0.00 0.18 -0.17 -0.69 0.00 0.00 0.00 175.10 174.41 3ie1 s VAL 309 N 0.55 2.74 -0.14 2.92 1.01 -0.46 -2.82 120.40 124.20 3ie1 s VAL 309 Ca 0.55 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3ie1 s VAL 309 Cb -0.29 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3ie1 s VAL 309 CO 0.32 0.56 -0.13 -0.76 0.00 0.00 0.00 175.10 175.09 3ie1 s LEU 310 N -0.23 1.62 0.19 3.92 1.43 -1.12 -2.01 118.68 122.48 3ie1 s LEU 310 Ca 0.00 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 3ie1 s LEU 310 Cb -0.13 -1.13 0.05 0.00 0.03 0.00 0.00 46.19 45.01 3ie1 s LEU 310 CO 0.03 -0.07 0.67 0.00 0.23 0.00 0.00 176.35 177.22 3ie1 s ALA 311 N 1.52 -1.48 0.38 4.21 0.00 -0.87 0.11 121.76 125.63 3ie1 s ALA 311 Ca 0.05 0.22 0.02 0.00 0.00 0.00 0.00 51.96 52.25 3ie1 s ALA 311 Cb -0.13 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 3ie1 s ALA 311 CO -0.10 -0.87 0.06 0.41 0.00 0.00 0.00 175.76 175.26 3ie1 n GLY 312 N -0.40 3.52 3.39 0.00 0.00 -1.26 -1.74 105.19 108.70 3ie1 n GLY 312 Ca -0.11 -2.21 -0.29 0.00 0.00 0.00 0.00 46.02 43.41 3ie1 n GLY 312 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ie1 s SER 313 N -3.20 -0.03 0.00 1.61 1.04 -1.20 0.15 113.70 112.08 3ie1 s SER 313 Ca 0.09 1.29 0.26 0.00 0.48 0.00 0.00 55.95 58.06 3ie1 s SER 313 Cb 0.00 -1.95 0.60 0.00 0.10 0.00 0.00 66.02 64.77 3ie1 s SER 313 CO 0.06 -4.79 1.47 0.61 0.98 0.00 0.00 173.24 171.58 3ie1 n GLY 314 N 1.22 -0.85 0.48 7.32 0.00 -1.26 -3.74 105.19 108.35 3ie1 n GLY 314 Ca 0.06 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.73 3ie1 n GLY 314 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ie1 n MET 315 N -0.99 1.43 -0.79 1.61 2.81 -1.26 -4.65 117.12 115.27 3ie1 n MET 315 Ca 0.09 -1.47 0.00 0.00 -1.81 0.00 0.00 57.70 54.51 3ie1 n MET 315 Cb 0.35 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 3ie1 n MET 315 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ie1 n LEU 316 N 0.51 0.25 -3.56 4.03 4.77 -1.25 -4.54 117.00 117.21 3ie1 n LEU 316 Ca 0.08 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.66 3ie1 n LEU 316 Cb 0.32 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 3ie1 n LEU 316 CO 0.07 -0.12 2.22 0.00 -1.33 0.00 0.00 177.39 178.22 3ie1 n ALA 317 N 0.94 3.78 0.00 -1.18 0.00 -1.26 -4.77 120.51 118.01 3ie1 n ALA 317 Ca 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 53.44 50.27 3ie1 n ALA 317 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 19.45 15.92 3ie1 n ALA 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie1 n GLY 318 N 4.36 -1.42 3.14 0.00 0.00 -1.26 -4.80 105.19 105.21 3ie1 n GLY 318 Ca 0.49 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.77 3ie1 n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie1 n GLY 319 N 0.00 -2.21 2.20 -0.02 0.00 -1.26 -3.21 105.19 100.68 3ie1 n GLY 319 Ca 0.00 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 3ie1 n GLY 319 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie1 n ARG 320 N -0.53 2.92 -0.03 1.61 1.74 0.39 -4.22 116.66 118.53 3ie1 n ARG 320 Ca 0.00 -3.54 0.03 0.00 -0.77 0.00 0.00 57.85 53.57 3ie1 n ARG 320 Cb 0.00 -2.27 -0.14 0.00 -1.02 0.00 0.00 32.46 29.04 3ie1 n ARG 320 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 3ie1 n ILE 321 N -0.87 0.41 -0.08 0.55 0.13 -1.01 -4.29 119.36 114.19 3ie1 n ILE 321 Ca 0.56 -0.51 -0.12 0.00 -1.10 0.00 0.00 62.75 61.59 3ie1 n ILE 321 Cb 0.80 -0.14 -0.05 0.00 -0.84 0.00 0.00 39.64 39.40 3ie1 n ILE 321 CO 0.00 0.00 0.00 -0.07 2.80 0.00 0.00 176.55 179.28 3ie1 h LEU 322 N 0.00 0.45 -0.35 9.51 3.38 -1.82 -1.43 115.31 125.05 3ie1 h LEU 322 Ca -0.16 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.46 3ie1 h LEU 322 Cb 1.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3ie1 h LEU 322 CO 0.01 0.69 0.23 0.45 0.09 0.00 0.00 178.44 179.90 3ie1 h HIS 323 N 0.19 0.44 0.00 1.13 3.86 -1.85 1.58 115.15 120.51 3ie1 h HIS 323 Ca 0.06 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3ie1 h HIS 323 Cb 0.49 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3ie1 h HIS 323 CO 0.05 0.29 0.00 0.72 0.86 0.00 0.00 177.93 179.84 3ie1 n HIS 324 N -4.84 0.00 0.13 2.45 8.25 -1.19 -1.74 115.22 118.28 3ie1 n HIS 324 Ca -0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 3ie1 n HIS 324 Cb 0.03 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.10 3ie1 n HIS 324 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ie1 n LEU 325 N -0.88 0.13 0.00 2.41 4.32 0.15 -4.49 117.00 118.64 3ie1 n LEU 325 Ca 0.15 -0.22 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 3ie1 n LEU 325 Cb 0.07 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 3ie1 n LEU 325 CO 0.11 0.03 0.00 1.17 -1.22 0.00 0.00 177.39 177.49 3ie1 n LYS 326 N -1.48 0.00 -0.26 3.23 4.81 0.52 -2.11 118.16 122.88 3ie1 n LYS 326 Ca -0.00 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 3ie1 n LYS 326 Cb 0.14 -0.66 0.00 0.00 0.02 0.00 0.00 35.03 34.53 3ie1 n LYS 326 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3ie1 n HIS 327 N -1.71 0.00 0.00 5.64 -0.00 -0.81 -3.01 115.22 115.32 3ie1 n HIS 327 Ca 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 57.72 57.15 3ie1 n HIS 327 Cb 0.00 -0.37 0.00 0.00 -0.00 0.00 0.00 29.99 29.62 3ie1 n HIS 327 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ie1 n GLY 328 N 1.51 0.02 0.33 -1.41 0.00 -1.26 -4.88 105.19 99.51 3ie1 n GLY 328 Ca 0.00 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.20 3ie1 n GLY 328 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ie1 h LEU 329 N 0.00 0.00 0.00 0.99 4.07 -1.33 -3.16 115.31 115.88 3ie1 h LEU 329 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3ie1 h LEU 329 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3ie1 h LEU 329 CO 0.00 0.00 0.00 -1.54 -1.08 0.00 0.00 178.44 175.82 3ie1 n SER 330 N -3.38 0.00 -3.63 -0.43 3.41 -1.26 -1.39 113.62 106.93 3ie1 n SER 330 Ca -0.01 0.29 -0.52 0.00 -0.26 0.00 0.00 58.87 58.37 3ie1 n SER 330 Cb 0.20 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.07 3ie1 n SER 330 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3ie1 n ASP 331 N -0.35 0.87 0.02 4.04 10.43 -1.20 -3.31 116.55 127.05 3ie1 n ASP 331 Ca 0.00 0.85 0.05 0.00 2.57 0.00 0.00 54.79 58.26 3ie1 n ASP 331 Cb 0.00 -0.69 0.23 0.00 1.84 0.00 0.00 41.12 42.50 3ie1 n ASP 331 CO 0.00 0.00 0.00 -0.81 -1.07 0.00 0.00 177.20 175.32 3ie1 n PRO 332 N 3.71 0.02 0.05 -0.24 -0.04 -1.25 -2.67 135.00 134.58 3ie1 n PRO 332 Ca 0.28 0.36 -0.20 0.00 -0.04 0.00 0.00 63.50 63.90 3ie1 n PRO 332 Cb -0.04 -1.55 -0.14 0.00 -0.04 0.00 0.00 33.50 31.73 3ie1 n PRO 332 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ie1 h ARG 333 N 0.00 0.40 -6.91 0.54 3.08 -1.87 -3.41 114.38 106.22 3ie1 h ARG 333 Ca 0.00 -0.58 -0.54 0.00 0.07 0.00 0.00 59.98 58.93 3ie1 h ARG 333 Cb 0.17 0.20 0.20 0.00 0.08 0.00 0.00 29.97 30.62 3ie1 h ARG 333 CO 0.00 1.25 -0.25 0.09 -1.07 0.00 0.00 179.97 179.99 3ie1 n ASN 334 N -4.07 -0.96 -4.38 7.04 3.02 -1.09 -4.64 115.26 110.18 3ie1 n ASN 334 Ca -0.13 0.44 -0.24 0.00 -0.03 0.00 0.00 54.58 54.62 3ie1 n ASN 334 Cb 0.83 -1.31 -0.11 0.00 -0.61 0.00 0.00 39.78 38.58 3ie1 n ASN 334 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ie1 s ALA 335 N -2.28 2.28 -0.23 5.41 0.00 0.19 -2.10 121.76 125.03 3ie1 s ALA 335 Ca 0.63 -1.58 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 3ie1 s ALA 335 Cb -0.26 -0.25 0.06 0.00 0.00 0.00 0.00 23.12 22.68 3ie1 s ALA 335 CO 0.61 0.32 0.00 -1.17 0.00 0.00 0.00 175.76 175.52 3ie1 s LEU 336 N -2.72 1.99 -0.26 0.00 0.20 0.16 0.15 118.68 118.19 3ie1 s LEU 336 Ca 0.19 -1.09 -0.06 0.00 0.69 0.00 0.00 54.13 53.86 3ie1 s LEU 336 Cb -0.07 -0.91 -0.00 0.00 -0.43 0.00 0.00 46.19 44.78 3ie1 s LEU 336 CO 0.08 -0.29 0.04 -0.69 -0.29 0.00 0.00 176.35 175.21 3ie1 s VAL 337 N 1.60 3.82 -0.31 1.68 1.01 0.18 -1.35 120.40 127.03 3ie1 s VAL 337 Ca -0.02 -0.55 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 3ie1 s VAL 337 Cb -0.18 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.32 3ie1 s VAL 337 CO -0.09 0.23 0.53 -0.36 0.00 0.00 0.00 175.10 175.41 3ie1 s PHE 338 N 1.51 3.21 -0.10 5.22 0.08 -0.63 -3.99 117.98 123.28 3ie1 s PHE 338 Ca 0.04 0.38 0.20 0.00 0.12 0.00 0.00 56.93 57.68 3ie1 s PHE 338 Cb -0.16 -2.87 -0.27 0.00 -0.57 0.00 0.00 43.02 39.15 3ie1 s PHE 338 CO 0.01 -0.45 0.45 1.33 -0.10 0.00 0.00 175.22 176.46 3ie1 n VAL 339 N 5.34 0.55 -4.39 -0.44 0.24 -1.26 -0.05 118.33 118.32 3ie1 n VAL 339 Ca -0.04 -0.62 -0.20 0.00 -2.04 0.00 0.00 64.34 61.44 3ie1 n VAL 339 Cb 0.49 -0.23 -0.10 0.00 -1.47 0.00 0.00 33.84 32.53 3ie1 n VAL 339 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ie1 s GLY 340 N -4.80 1.60 0.53 7.63 0.00 -1.26 -4.15 107.32 106.87 3ie1 s GLY 340 Ca -0.07 -1.75 -0.22 0.00 0.00 0.00 0.00 44.72 42.67 3ie1 s GLY 340 CO 0.87 -1.81 1.35 2.98 0.00 0.00 0.00 173.10 176.48 3ie1 n TYR 341 N -0.47 2.28 -5.28 1.90 4.19 -1.26 -5.00 117.16 113.52 3ie1 n TYR 341 Ca -0.07 0.44 -0.31 0.00 3.31 0.00 0.00 57.90 61.27 3ie1 n TYR 341 Cb 0.61 -2.37 -0.16 0.00 0.49 0.00 0.00 39.34 37.91 3ie1 n TYR 341 CO 0.00 0.00 0.00 -0.65 0.91 0.00 0.00 176.86 177.12 3ie1 s GLN 342 N -2.78 2.36 -0.15 2.98 -1.52 -1.26 -4.89 119.66 114.41 3ie1 s GLN 342 Ca 0.70 -0.91 -0.29 0.00 -1.95 0.00 0.00 55.36 52.90 3ie1 s GLN 342 Cb -0.43 -2.10 -0.04 0.00 -0.22 0.00 0.00 33.01 30.22 3ie1 s GLN 342 CO 0.51 0.45 1.70 -1.25 -0.25 0.00 0.00 175.29 176.45 3ie1 s PRO 343 N -0.34 3.90 0.83 2.91 0.04 -1.26 -4.84 135.00 136.23 3ie1 s PRO 343 Ca 0.02 1.94 -0.16 0.00 0.04 0.00 0.00 61.00 62.84 3ie1 s PRO 343 Cb -0.12 -4.05 -0.07 0.00 0.04 0.00 0.00 34.50 30.30 3ie1 s PRO 343 CO 0.02 -1.18 0.03 0.00 0.04 0.00 0.00 177.00 175.91 3ie1 n GLN 344 N 7.55 0.03 -2.08 4.56 10.64 -1.26 -1.26 117.38 135.56 3ie1 n GLN 344 Ca 0.19 0.04 -0.20 0.00 -1.83 0.00 0.00 57.00 55.20 3ie1 n GLN 344 Cb 0.44 -1.49 -0.04 0.00 -0.86 0.00 0.00 30.24 28.29 3ie1 n GLN 344 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3ie1 n GLY 345 N 2.25 0.45 3.53 2.61 0.00 -1.26 -4.96 105.19 107.81 3ie1 n GLY 345 Ca 0.06 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3ie1 n GLY 345 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie1 s GLY 346 N -2.36 1.88 0.54 -0.02 0.00 -0.39 -4.97 107.32 102.00 3ie1 s GLY 346 Ca 0.00 -1.85 0.45 0.00 0.00 0.00 0.00 44.72 43.31 3ie1 s GLY 346 CO 0.00 -1.91 1.64 -2.00 0.00 0.00 0.00 173.10 170.82 3ie1 h LEU 347 N 2.13 0.03 0.00 0.66 5.85 -1.86 0.71 115.31 122.83 3ie1 h LEU 347 Ca -0.41 0.02 -0.25 0.00 0.84 0.00 0.00 57.88 58.08 3ie1 h LEU 347 Cb 1.26 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.26 3ie1 h LEU 347 CO 0.61 -0.02 -1.74 0.61 -0.34 0.00 0.00 178.44 177.57 3ie1 n GLY 348 N -1.84 -1.07 0.26 3.75 0.00 -1.26 -3.72 105.19 101.31 3ie1 n GLY 348 Ca 0.39 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 46.28 3ie1 n GLY 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie1 h ALA 349 N 1.20 1.46 0.06 4.61 0.00 0.20 -3.08 119.26 123.71 3ie1 h ALA 349 Ca -0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ie1 h ALA 349 Cb 1.85 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3ie1 h ALA 349 CO 0.05 0.39 -0.03 1.05 0.00 0.00 0.00 179.25 180.71 3ie1 h GLU 350 N 0.41 -0.08 0.00 0.00 4.11 -1.57 -3.19 114.58 114.26 3ie1 h GLU 350 Ca 0.09 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.53 3ie1 h GLU 350 Cb 0.30 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3ie1 h GLU 350 CO 0.01 0.51 0.06 -0.89 0.07 0.00 0.00 179.01 178.77 3ie1 n ILE 351 N -4.80 0.62 -0.13 -1.06 5.41 -1.17 -1.22 119.36 117.01 3ie1 n ILE 351 Ca -0.08 0.22 -0.26 0.00 1.00 0.00 0.00 62.75 63.63 3ie1 n ILE 351 Cb 0.31 -1.22 -0.11 0.00 -0.71 0.00 0.00 39.64 37.91 3ie1 n ILE 351 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3ie1 n ILE 352 N -1.07 1.54 -0.02 1.39 5.41 -1.18 -4.18 119.36 121.24 3ie1 n ILE 352 Ca 0.00 -0.38 0.18 0.00 1.00 0.00 0.00 62.75 63.55 3ie1 n ILE 352 Cb 0.06 -1.81 0.64 0.00 -0.71 0.00 0.00 39.64 37.82 3ie1 n ILE 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3ie1 h ALA 353 N -0.68 2.36 -2.01 -1.39 0.00 -1.17 -3.47 119.26 112.90 3ie1 h ALA 353 Ca -0.62 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3ie1 h ALA 353 Cb 1.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3ie1 h ALA 353 CO -0.31 -0.50 0.00 0.54 0.00 0.00 0.00 179.25 178.98 3ie1 n ARG 354 N -4.41 0.00 -3.02 0.00 1.74 -0.95 -5.09 116.66 104.92 3ie1 n ARG 354 Ca 0.10 0.33 -0.34 0.00 -0.77 0.00 0.00 57.85 57.18 3ie1 n ARG 354 Cb 0.54 -1.00 -0.06 0.00 -1.02 0.00 0.00 32.46 30.91 3ie1 n ARG 354 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3ie1 s PRO 355 N -1.99 4.16 0.45 5.56 0.04 -1.26 -4.94 135.00 137.02 3ie1 s PRO 355 Ca 0.00 0.88 0.25 0.00 0.04 0.00 0.00 61.00 62.17 3ie1 s PRO 355 Cb 0.00 -2.49 1.28 0.00 0.04 0.00 0.00 34.50 33.33 3ie1 s PRO 355 CO 0.00 0.17 1.79 -1.00 0.04 0.00 0.00 177.00 177.99 3ie1 h PRO 356 N 2.47 0.23 -4.16 0.56 0.13 -1.97 -3.43 132.00 125.83 3ie1 h PRO 356 Ca -0.48 -0.01 -0.30 0.00 -0.87 0.00 0.00 66.00 64.33 3ie1 h PRO 356 Cb 1.18 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.18 3ie1 h PRO 356 CO 0.64 0.15 -0.18 0.00 -0.23 0.00 0.00 178.00 178.38 3ie1 s ALA 357 N -5.28 0.87 0.03 -0.56 0.00 -1.26 -1.96 121.76 113.59 3ie1 s ALA 357 Ca -0.07 -1.58 -0.17 0.00 0.00 0.00 0.00 51.96 50.14 3ie1 s ALA 357 Cb 0.24 1.16 0.03 0.00 0.00 0.00 0.00 23.12 24.55 3ie1 s ALA 357 CO 0.80 -0.79 0.37 0.08 0.00 0.00 0.00 175.76 176.22 3ie1 s VAL 358 N -2.90 0.06 -0.16 0.00 1.01 0.60 -4.91 120.40 114.09 3ie1 s VAL 358 Ca 0.31 -0.50 -0.12 0.00 0.00 0.00 0.00 61.98 61.67 3ie1 s VAL 358 Cb -0.01 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.44 3ie1 s VAL 358 CO 0.22 -0.28 0.22 -0.60 0.00 0.00 0.00 175.10 174.67 3ie1 s ARG 359 N -2.24 4.12 -0.26 2.72 3.52 -1.26 0.24 118.95 125.79 3ie1 s ARG 359 Ca -0.07 -0.03 -0.01 0.00 -0.13 0.00 0.00 55.73 55.50 3ie1 s ARG 359 Cb -0.02 -3.39 0.14 0.00 -1.56 0.00 0.00 34.95 30.13 3ie1 s ARG 359 CO -0.01 0.35 0.35 0.42 -0.81 0.00 0.00 175.30 175.59 3ie1 s ILE 360 N 0.18 -0.53 -0.70 4.11 1.01 -1.21 -4.95 121.20 119.11 3ie1 s ILE 360 Ca 0.14 -0.25 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 3ie1 s ILE 360 Cb -0.12 -0.89 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 3ie1 s ILE 360 CO 0.02 -0.27 0.59 0.18 0.00 0.00 0.00 174.94 175.46 3ie1 n LEU 361 N 5.34 -3.50 -3.34 2.97 4.32 -1.26 -4.05 117.00 117.49 3ie1 n LEU 361 Ca -0.02 -0.39 -0.16 0.00 -0.02 0.00 0.00 56.01 55.42 3ie1 n LEU 361 Cb 0.49 -2.10 0.08 0.00 -1.62 0.00 0.00 43.42 40.28 3ie1 n LEU 361 CO 0.03 0.18 0.09 0.61 -1.22 0.00 0.00 177.39 177.07 3ie1 n GLY 362 N -1.15 -0.57 0.00 -0.72 0.00 -1.26 -5.00 105.19 96.48 3ie1 n GLY 362 Ca -0.14 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3ie1 n GLY 362 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ie1 n GLU 363 N -3.82 0.00 -1.31 1.61 2.13 -1.26 -5.16 120.64 112.83 3ie1 n GLU 363 Ca -0.22 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.23 3ie1 n GLU 363 Cb 0.65 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.43 3ie1 n GLU 363 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 3ie1 n GLU 364 N 0.00 0.37 -3.72 5.31 4.07 -1.26 -3.36 120.64 122.05 3ie1 n GLU 364 Ca 0.00 0.17 -0.14 0.00 -0.06 0.00 0.00 57.16 57.13 3ie1 n GLU 364 Cb 0.00 -1.85 -0.09 0.00 -0.06 0.00 0.00 31.44 29.44 3ie1 n GLU 364 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 3ie1 s VAL 365 N -1.86 0.03 0.40 6.31 -7.23 0.66 -4.90 120.40 113.81 3ie1 s VAL 365 Ca 0.67 -0.26 -0.06 0.00 -1.81 0.00 0.00 61.98 60.51 3ie1 s VAL 365 Cb -0.37 -0.65 0.10 0.00 0.56 0.00 0.00 36.38 36.03 3ie1 s VAL 365 CO 0.56 -0.14 0.23 -2.65 -0.31 0.00 0.00 175.10 172.79 3ie1 n PRO 366 N 1.75 -2.42 -2.77 4.82 -0.02 -1.26 0.22 135.00 135.32 3ie1 n PRO 366 Ca -0.19 -0.38 -0.03 0.00 -2.02 0.00 0.00 63.50 60.89 3ie1 n PRO 366 Cb 0.56 -0.52 0.05 0.00 -0.02 0.00 0.00 33.50 33.57 3ie1 n PRO 366 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3ie1 n LEU 367 N 0.00 1.81 0.17 2.45 7.94 -0.83 -4.24 117.00 124.30 3ie1 n LEU 367 Ca 0.04 -3.21 0.14 0.00 -1.11 0.00 0.00 56.01 51.86 3ie1 n LEU 367 Cb 0.16 0.41 0.48 0.00 0.53 0.00 0.00 43.42 45.00 3ie1 n LEU 367 CO 0.10 1.16 0.89 0.03 -1.11 0.00 0.00 177.39 178.46 3ie1 h ARG 368 N 2.61 0.00 -7.32 1.96 3.08 -1.61 -3.45 114.38 109.66 3ie1 h ARG 368 Ca -0.10 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.44 3ie1 h ARG 368 Cb 1.28 0.00 0.13 0.00 0.08 0.00 0.00 29.97 31.46 3ie1 h ARG 368 CO 0.25 0.00 0.31 0.00 -1.07 0.00 0.00 179.97 179.46 3ie1 s ALA 369 N -3.34 2.16 -0.39 0.04 0.00 -0.49 -3.83 121.76 115.91 3ie1 s ALA 369 Ca 0.05 0.21 -0.18 0.00 0.00 0.00 0.00 51.96 52.04 3ie1 s ALA 369 Cb 0.09 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3ie1 s ALA 369 CO 0.51 -1.85 0.52 -1.54 0.00 0.00 0.00 175.76 173.41 3ie1 s SER 370 N -3.41 6.28 -0.10 0.00 1.04 -0.89 -4.95 113.70 111.67 3ie1 s SER 370 Ca 0.61 -0.28 -0.11 0.00 0.48 0.00 0.00 55.95 56.65 3ie1 s SER 370 Cb -0.17 -2.27 -0.05 0.00 0.10 0.00 0.00 66.02 63.63 3ie1 s SER 370 CO 0.56 -0.58 0.26 -0.69 0.98 0.00 0.00 173.24 173.77 3ie1 s VAL 371 N 2.43 5.31 -0.01 5.02 1.01 -1.26 0.36 120.40 133.26 3ie1 s VAL 371 Ca 0.18 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.64 3ie1 s VAL 371 Cb -0.16 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.68 3ie1 s VAL 371 CO 0.15 0.54 0.01 -1.00 0.00 0.00 0.00 175.10 174.80 3ie1 s HIS 372 N -0.56 0.06 -0.44 5.22 3.76 -0.46 -4.97 115.29 117.90 3ie1 s HIS 372 Ca 0.17 0.06 -0.16 0.00 -0.15 0.00 0.00 55.06 54.99 3ie1 s HIS 372 Cb -0.14 -0.16 0.04 0.00 1.11 0.00 0.00 32.58 33.43 3ie1 s HIS 372 CO 0.06 -0.05 0.36 0.99 -0.85 0.00 0.00 174.74 175.25 3ie1 s THR 373 N 0.59 5.22 -0.78 1.30 2.01 -1.26 -1.60 115.64 121.11 3ie1 s THR 373 Ca -0.05 -0.75 -0.12 0.00 0.31 0.00 0.00 61.69 61.08 3ie1 s THR 373 Cb -0.07 -4.03 0.21 0.00 0.01 0.00 0.00 72.50 68.62 3ie1 s THR 373 CO -0.02 -0.44 0.70 -0.76 -0.69 0.00 0.00 174.62 173.41 3ie1 s LEU 374 N 1.76 6.45 -0.08 4.42 1.43 0.92 -4.89 118.68 128.70 3ie1 s LEU 374 Ca 0.06 -2.70 0.06 0.00 -1.03 0.00 0.00 54.13 50.52 3ie1 s LEU 374 Cb -0.21 -2.14 0.32 0.00 0.03 0.00 0.00 46.19 44.20 3ie1 s LEU 374 CO 0.09 -0.54 1.04 0.61 0.23 0.00 0.00 176.35 177.79 3ie1 n GLY 375 N 3.91 1.81 0.12 -3.19 0.00 -1.26 -3.59 105.19 102.99 3ie1 n GLY 375 Ca 0.12 -0.37 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 3ie1 n GLY 375 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie1 n GLY 376 N 0.38 -0.72 2.19 -0.02 0.00 -1.26 -3.90 105.19 101.85 3ie1 n GLY 376 Ca 0.11 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 3ie1 n GLY 376 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ie1 n PHE 377 N -3.28 0.26 -3.66 1.61 3.01 -1.24 -4.86 117.46 109.31 3ie1 n PHE 377 Ca -0.27 -1.29 -0.36 0.00 1.01 0.00 0.00 57.45 56.53 3ie1 n PHE 377 Cb 1.05 -1.38 -0.07 0.00 -0.01 0.00 0.00 39.48 39.07 3ie1 n PHE 377 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3ie1 s SER 378 N 2.37 6.43 0.31 4.37 0.15 -1.26 -4.46 113.70 121.61 3ie1 s SER 378 Ca 0.49 0.51 0.24 0.00 0.70 0.00 0.00 55.95 57.89 3ie1 s SER 378 Cb 0.22 -2.14 0.41 0.00 -1.71 0.00 0.00 66.02 62.79 3ie1 s SER 378 CO -0.01 0.23 1.53 1.23 1.20 0.00 0.00 173.24 177.42 3ie1 h GLY 379 N 5.96 0.00 -2.00 9.45 0.00 -1.91 -3.39 103.07 111.17 3ie1 h GLY 379 Ca -0.46 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.39 3ie1 h GLY 379 CO 0.69 0.00 0.04 0.00 0.00 0.00 0.00 176.54 177.27 3ie1 s ALA 380 N -3.20 3.50 0.85 3.60 0.00 -1.26 -3.68 121.76 121.58 3ie1 s ALA 380 Ca 0.07 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3ie1 s ALA 380 Cb 0.08 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.79 3ie1 s ALA 380 CO 0.68 -0.48 0.00 0.00 0.00 0.00 0.00 175.76 175.95 3ie1 n ALA 381 N -2.27 0.00 -2.48 0.00 0.00 -1.22 -3.54 120.51 111.00 3ie1 n ALA 381 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 3ie1 n ALA 381 Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 3ie1 n ALA 381 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3ie1 s GLY 382 N -2.54 0.99 0.34 0.00 0.00 -1.26 -4.63 107.32 100.22 3ie1 s GLY 382 Ca 0.00 -1.26 0.14 0.00 0.00 0.00 0.00 44.72 43.60 3ie1 s GLY 382 CO 0.00 -1.33 1.60 -1.61 0.00 0.00 0.00 173.10 171.77 3ie1 h GLN 383 N 3.50 0.09 -0.44 2.90 4.15 -0.87 0.58 115.11 125.02 3ie1 h GLN 383 Ca -0.39 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 58.94 3ie1 h GLN 383 Cb 1.19 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 3ie1 h GLN 383 CO 0.52 0.06 -0.08 0.38 -1.93 0.00 0.00 178.83 177.78 3ie1 h ASP 384 N 0.09 0.84 -0.19 -0.69 -0.00 -1.88 -0.49 116.42 114.09 3ie1 h ASP 384 Ca 0.75 -0.35 -0.12 0.00 -0.00 0.00 0.00 57.03 57.31 3ie1 h ASP 384 Cb 1.81 -0.23 -0.01 0.00 -0.00 0.00 0.00 39.33 40.90 3ie1 h ASP 384 CO -0.75 0.99 -0.28 -0.33 -0.00 0.00 0.00 179.24 178.87 3ie1 h GLU 385 N 0.67 0.68 -0.02 4.15 5.08 -0.41 -2.21 114.58 122.51 3ie1 h GLU 385 Ca 0.12 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 3ie1 h GLU 385 Cb 0.61 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 3ie1 h GLU 385 CO 0.04 0.88 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.86 3ie1 h LEU 386 N 0.58 0.04 -1.84 1.33 4.07 -0.49 0.78 115.31 119.79 3ie1 h LEU 386 Ca 0.07 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.70 3ie1 h LEU 386 Cb 0.77 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.50 3ie1 h LEU 386 CO 0.06 0.37 0.05 -0.07 -1.08 0.00 0.00 178.44 177.76 3ie1 h LEU 387 N -0.29 0.00 0.06 1.67 3.38 -1.00 0.27 115.31 119.40 3ie1 h LEU 387 Ca 0.01 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3ie1 h LEU 387 Cb 0.35 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 3ie1 h LEU 387 CO 0.00 0.00 -1.71 0.47 0.09 0.00 0.00 178.44 177.30 3ie1 n ASP 388 N -2.49 2.00 0.03 -0.43 10.43 -0.58 -3.26 116.55 122.24 3ie1 n ASP 388 Ca -0.02 0.30 -0.13 0.00 2.57 0.00 0.00 54.79 57.52 3ie1 n ASP 388 Cb 0.09 -0.90 -0.08 0.00 1.84 0.00 0.00 41.12 42.07 3ie1 n ASP 388 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 177.20 175.88 3ie1 h TRP 389 N -0.45 -0.03 0.00 1.24 7.01 0.23 -2.89 115.95 121.06 3ie1 h TRP 389 Ca -0.41 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.59 3ie1 h TRP 389 Cb 1.69 0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.76 3ie1 h TRP 389 CO 0.08 0.16 0.00 1.28 -2.79 0.00 0.00 178.44 177.17 3ie1 n LEU 390 N -5.01 0.00 -4.67 0.65 4.32 0.77 -4.50 117.00 108.56 3ie1 n LEU 390 Ca -0.08 0.14 -0.45 0.00 -0.02 0.00 0.00 56.01 55.60 3ie1 n LEU 390 Cb 0.13 -0.14 -0.03 0.00 -1.62 0.00 0.00 43.42 41.75 3ie1 n LEU 390 CO 0.33 -0.03 1.07 1.67 -1.22 0.00 0.00 177.39 179.21 3ie1 n GLN 391 N -1.14 2.05 0.00 3.23 0.00 -1.09 -1.62 117.38 118.80 3ie1 n GLN 391 Ca 0.16 0.73 0.00 0.00 -0.00 0.00 0.00 57.00 57.89 3ie1 n GLN 391 Cb 0.14 -2.42 0.00 0.00 0.00 0.00 0.00 30.24 27.96 3ie1 n GLN 391 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3ie1 n GLY 392 N 2.52 2.88 3.65 1.69 0.00 -1.26 -5.03 105.19 109.65 3ie1 n GLY 392 Ca 0.13 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3ie1 n GLY 392 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie1 s GLU 393 N 0.00 4.09 0.00 1.61 0.41 -0.64 -4.97 118.70 119.19 3ie1 s GLU 393 Ca 0.00 2.08 0.00 0.00 -0.41 0.00 0.00 54.97 56.64 3ie1 s GLU 393 Cb 0.00 -4.00 0.00 0.00 -1.78 0.00 0.00 34.13 28.35 3ie1 s GLU 393 CO 0.00 -0.96 0.95 -0.35 -0.49 0.00 0.00 175.26 174.41 3ie1 n PRO 394 N 7.26 0.00 -3.76 0.39 -0.04 -1.26 -4.77 135.00 132.82 3ie1 n PRO 394 Ca 0.18 0.49 -0.35 0.00 -0.04 0.00 0.00 63.50 63.78 3ie1 n PRO 394 Cb 0.43 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 3ie1 n PRO 394 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3ie1 s ARG 395 N -2.88 3.58 0.00 0.54 0.52 -1.26 -1.62 118.95 117.84 3ie1 s ARG 395 Ca 0.00 -0.05 -0.06 0.00 -0.52 0.00 0.00 55.73 55.10 3ie1 s ARG 395 Cb 0.00 -3.10 -0.00 0.00 0.52 0.00 0.00 34.95 32.37 3ie1 s ARG 395 CO 0.00 0.66 0.11 0.08 0.02 0.00 0.00 175.30 176.17 3ie1 s VAL 396 N -1.26 0.08 -0.43 3.52 1.01 0.24 -2.76 120.40 120.81 3ie1 s VAL 396 Ca 0.26 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.58 3ie1 s VAL 396 Cb -0.13 -0.39 0.17 0.00 0.00 0.00 0.00 36.38 36.03 3ie1 s VAL 396 CO 0.15 -0.38 0.36 0.52 0.00 0.00 0.00 175.10 175.74 3ie1 n VAL 397 N 1.54 -1.01 -1.49 2.92 0.31 -1.11 -3.44 118.33 116.04 3ie1 n VAL 397 Ca -0.23 -3.55 -0.42 0.00 -0.01 0.00 0.00 64.34 60.13 3ie1 n VAL 397 Cb 0.56 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.79 3ie1 n VAL 397 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3ie1 n LEU 398 N 2.71 0.59 0.00 7.52 4.32 -0.72 -3.20 117.00 128.22 3ie1 n LEU 398 Ca 0.29 0.98 -0.10 0.00 -0.02 0.00 0.00 56.01 57.15 3ie1 n LEU 398 Cb 0.47 -1.17 0.01 0.00 -1.62 0.00 0.00 43.42 41.12 3ie1 n LEU 398 CO 0.10 -2.46 0.41 0.52 -1.22 0.00 0.00 177.39 174.73 3ie1 n VAL 399 N -0.62 0.00 -2.91 4.08 0.31 0.37 -2.30 118.33 117.27 3ie1 n VAL 399 Ca 0.11 -1.20 -0.01 0.00 -0.01 0.00 0.00 64.34 63.24 3ie1 n VAL 399 Cb 0.38 0.99 0.00 0.00 -0.91 0.00 0.00 33.84 34.30 3ie1 n VAL 399 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 3ie1 n HIS 400 N -0.53 -2.49 0.00 3.52 -0.00 -0.42 -2.92 115.22 112.37 3ie1 n HIS 400 Ca -0.06 1.10 0.00 0.00 -0.00 0.00 0.00 57.72 58.76 3ie1 n HIS 400 Cb 0.57 -2.87 0.00 0.00 -0.00 0.00 0.00 29.99 27.69 3ie1 n HIS 400 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ie1 n GLY 401 N 0.90 2.10 3.75 1.57 0.00 0.50 -1.89 105.19 112.12 3ie1 n GLY 401 Ca 0.00 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 3ie1 n GLY 401 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie1 s GLU 402 N -1.83 4.61 0.36 1.61 2.02 -1.26 -0.30 118.70 123.91 3ie1 s GLU 402 Ca 0.00 1.23 0.18 0.00 0.02 0.00 0.00 54.97 56.40 3ie1 s GLU 402 Cb 0.00 -3.32 1.24 0.00 0.10 0.00 0.00 34.13 32.15 3ie1 s GLU 402 CO 0.00 0.40 1.58 1.49 0.02 0.00 0.00 175.26 178.75 3ie1 h GLU 403 N 4.98 0.01 0.20 1.61 4.81 -1.94 0.19 114.58 124.44 3ie1 h GLU 403 Ca -0.45 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 3ie1 h GLU 403 Cb 1.21 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3ie1 h GLU 403 CO 0.69 0.01 -0.09 0.93 -0.73 0.00 0.00 179.01 179.81 3ie1 h GLU 404 N 0.01 -0.25 -0.86 1.92 3.07 -1.93 0.49 114.58 117.03 3ie1 h GLU 404 Ca 0.80 0.02 0.17 0.00 -0.50 0.00 0.00 59.36 59.85 3ie1 h GLU 404 Cb 2.06 0.06 -0.16 0.00 -0.84 0.00 0.00 28.75 29.87 3ie1 h GLU 404 CO -0.79 0.15 -0.24 0.87 -1.40 0.00 0.00 179.01 177.59 3ie1 h LYS 405 N -0.83 -0.01 0.30 2.33 1.79 -1.14 1.38 116.57 120.40 3ie1 h LYS 405 Ca -0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 3ie1 h LYS 405 Cb 0.52 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 3ie1 h LYS 405 CO 0.04 -0.01 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.19 3ie1 h LEU 406 N -0.01 -0.35 -0.65 2.94 4.07 -0.76 -2.43 115.31 118.12 3ie1 h LEU 406 Ca 0.40 0.01 0.12 0.00 0.08 0.00 0.00 57.88 58.49 3ie1 h LEU 406 Cb 0.63 0.09 -0.12 0.00 1.08 0.00 0.00 40.66 42.34 3ie1 h LEU 406 CO -0.89 -0.17 -0.18 -0.11 -1.08 0.00 0.00 178.44 176.01 3ie1 n LEU 407 N -3.54 -0.28 0.00 1.67 7.94 0.17 0.19 117.00 123.15 3ie1 n LEU 407 Ca -0.05 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.97 3ie1 n LEU 407 Cb 0.16 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 43.79 3ie1 n LEU 407 CO 0.12 -1.06 0.27 0.00 -1.11 0.00 0.00 177.39 175.61 3ie1 n ALA 408 N -3.73 -0.02 -0.29 1.96 0.00 0.46 -1.99 120.51 116.90 3ie1 n ALA 408 Ca 0.10 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.72 3ie1 n ALA 408 Cb 0.31 0.08 0.34 0.00 0.00 0.00 0.00 19.45 20.19 3ie1 n ALA 408 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3ie1 n LEU 409 N -0.76 0.05 -0.16 0.00 0.00 -0.23 0.13 117.00 116.03 3ie1 n LEU 409 Ca 0.00 1.43 -0.03 0.00 0.00 0.00 0.00 56.01 57.41 3ie1 n LEU 409 Cb 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 43.42 42.87 3ie1 n LEU 409 CO 0.00 -1.51 0.74 1.23 0.00 0.00 0.00 177.39 177.85 3ie1 h GLY 410 N 0.00 0.29 0.13 -3.96 0.00 0.05 -1.12 103.07 98.46 3ie1 h GLY 410 Ca 0.59 0.21 0.11 0.00 0.00 0.00 0.00 47.33 48.24 3ie1 h GLY 410 CO -0.75 -0.20 0.03 1.70 0.00 0.00 0.00 176.54 177.32 3ie1 h LYS 411 N -0.04 0.14 -0.79 4.80 3.64 0.18 -0.85 116.57 123.65 3ie1 h LYS 411 Ca 0.24 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3ie1 h LYS 411 Cb 0.41 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 3ie1 h LYS 411 CO -0.54 0.09 0.52 -0.07 -2.27 0.00 0.00 179.45 177.19 3ie1 h LEU 412 N 0.14 0.90 -0.29 5.20 3.38 -1.16 0.90 115.31 124.38 3ie1 h LEU 412 Ca 0.28 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 3ie1 h LEU 412 Cb 0.42 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3ie1 h LEU 412 CO -0.43 0.64 0.14 -0.07 0.09 0.00 0.00 178.44 178.81 3ie1 h LEU 413 N 1.06 0.37 -0.36 1.67 3.38 -0.50 -0.56 115.31 120.37 3ie1 h LEU 413 Ca 0.30 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 3ie1 h LEU 413 Cb -0.10 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3ie1 h LEU 413 CO -0.07 0.38 -0.36 0.00 0.09 0.00 0.00 178.44 178.48 3ie1 h ALA 414 N 1.00 0.53 0.00 1.53 0.00 -0.90 0.43 119.26 121.86 3ie1 h ALA 414 Ca 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3ie1 h ALA 414 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3ie1 h ALA 414 CO -0.01 0.62 0.00 1.28 0.00 0.00 0.00 179.25 181.14 3ie1 n LEU 415 N -4.11 0.00 -0.25 0.00 4.77 0.31 0.67 117.00 118.39 3ie1 n LEU 415 Ca -0.03 0.17 0.05 0.00 -0.03 0.00 0.00 56.01 56.17 3ie1 n LEU 415 Cb 0.53 -0.17 0.09 0.00 -2.33 0.00 0.00 43.42 41.55 3ie1 n LEU 415 CO 0.48 -0.12 0.57 -1.14 -1.33 0.00 0.00 177.39 175.84 3ie1 n ARG 416 N -1.17 2.56 -0.95 3.23 0.63 -0.25 -4.97 116.66 115.74 3ie1 n ARG 416 Ca 0.05 -2.02 0.00 0.00 -0.92 0.00 0.00 57.85 54.95 3ie1 n ARG 416 Cb 0.05 -1.27 0.00 0.00 0.45 0.00 0.00 32.46 31.69 3ie1 n ARG 416 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ie1 n GLY 417 N -0.52 0.43 3.60 5.14 0.00 0.21 -5.02 105.19 109.03 3ie1 n GLY 417 Ca 0.09 -0.87 -0.34 0.00 0.00 0.00 0.00 46.02 44.89 3ie1 n GLY 417 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ie1 s GLN 418 N -1.60 3.68 -0.62 1.61 -0.21 0.14 -4.95 119.66 117.72 3ie1 s GLN 418 Ca 0.00 -0.41 -0.27 0.00 0.02 0.00 0.00 55.36 54.70 3ie1 s GLN 418 Cb 0.00 -3.03 -0.01 0.00 1.00 0.00 0.00 33.01 30.97 3ie1 s GLN 418 CO 0.00 0.35 1.73 -2.00 -2.12 0.00 0.00 175.29 173.26 3ie1 s GLU 419 N 0.10 2.80 0.34 2.91 2.12 -0.64 -2.76 118.70 123.56 3ie1 s GLU 419 Ca 0.02 0.50 0.04 0.00 0.36 0.00 0.00 54.97 55.90 3ie1 s GLU 419 Cb -0.13 -4.33 0.06 0.00 0.26 0.00 0.00 34.13 29.99 3ie1 s GLU 419 CO 0.02 -2.54 0.46 1.55 -0.54 0.00 0.00 175.26 174.21 3ie1 n VAL 420 N 7.06 0.00 0.00 3.70 3.14 -1.26 -0.59 118.33 130.38 3ie1 n VAL 420 Ca 0.17 -1.04 0.00 0.00 -2.96 0.00 0.00 64.34 60.51 3ie1 n VAL 420 Cb 0.51 -0.79 0.00 0.00 -1.06 0.00 0.00 33.84 32.50 3ie1 n VAL 420 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3ie1 n SER 421 N -2.68 0.00 -4.89 6.55 3.41 -1.22 -4.86 113.62 109.92 3ie1 n SER 421 Ca 0.09 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.48 3ie1 n SER 421 Cb 0.33 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.27 3ie1 n SER 421 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ie1 s LEU 422 N 0.00 3.12 -0.18 1.04 1.02 -1.26 -1.76 118.68 120.67 3ie1 s LEU 422 Ca 0.00 -0.94 -0.04 0.00 0.02 0.00 0.00 54.13 53.17 3ie1 s LEU 422 Cb 0.00 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.48 3ie1 s LEU 422 CO 0.00 -0.86 -0.02 0.00 0.02 0.00 0.00 176.35 175.49 3ie1 s ALA 423 N -2.60 3.03 -0.11 4.21 0.00 -0.97 -4.83 121.76 120.49 3ie1 s ALA 423 Ca 0.45 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 3ie1 s ALA 423 Cb -0.03 -1.67 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 3ie1 s ALA 423 CO 0.27 0.04 -0.06 1.03 0.00 0.00 0.00 175.76 177.03 3ie1 s ARG 424 N 0.67 3.19 0.42 0.00 0.52 -1.26 -3.30 118.95 119.18 3ie1 s ARG 424 Ca -0.01 -0.55 -0.22 0.00 -0.52 0.00 0.00 55.73 54.43 3ie1 s ARG 424 Cb -0.14 -2.73 -0.13 0.00 0.52 0.00 0.00 34.95 32.47 3ie1 s ARG 424 CO 0.02 0.45 0.43 0.34 0.02 0.00 0.00 175.30 176.57 3ie1 n PHE 425 N 2.86 -0.91 -0.48 -0.53 7.35 -1.26 -1.38 117.46 123.11 3ie1 n PHE 425 Ca -0.18 0.61 0.00 0.00 -0.76 0.00 0.00 57.45 57.12 3ie1 n PHE 425 Cb 0.53 -1.93 0.00 0.00 0.35 0.00 0.00 39.48 38.42 3ie1 n PHE 425 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ie1 n GLY 426 N 1.93 0.00 3.32 7.13 0.00 -0.88 -4.91 105.19 111.78 3ie1 n GLY 426 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3ie1 n GLY 426 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie1 s GLU 427 N -0.96 2.75 0.66 1.61 2.02 -0.48 -4.91 118.70 119.38 3ie1 s GLU 427 Ca 0.00 -1.37 -0.17 0.00 0.02 0.00 0.00 54.97 53.45 3ie1 s GLU 427 Cb 0.00 -3.88 -0.02 0.00 0.10 0.00 0.00 34.13 30.33 3ie1 s GLU 427 CO 0.00 -0.94 1.07 0.41 0.02 0.00 0.00 175.26 175.83 3ie1 n GLY 428 N 5.01 -0.07 2.90 -1.39 0.00 -1.26 -4.40 105.19 105.99 3ie1 n GLY 428 Ca -0.11 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 3ie1 n GLY 428 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ie1 s VAL 429 N -1.57 1.01 0.42 1.61 1.01 -0.97 -4.96 120.40 116.95 3ie1 s VAL 429 Ca 0.78 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 62.23 3ie1 s VAL 429 Cb -0.38 -1.03 -0.08 0.00 0.00 0.00 0.00 36.38 34.88 3ie1 s VAL 429 CO 0.45 0.37 1.15 -2.16 0.00 0.00 0.00 175.10 174.91 3ie1 s PRO 430 N 1.71 3.99 0.00 2.72 0.04 -1.26 -1.59 135.00 140.62 3ie1 s PRO 430 Ca 0.05 1.77 0.26 0.00 0.04 0.00 0.00 61.00 63.11 3ie1 s PRO 430 Cb -0.13 -2.58 0.56 0.00 0.04 0.00 0.00 34.50 32.39 3ie1 s PRO 430 CO -0.08 -0.35 1.47 0.28 0.04 0.00 0.00 177.00 178.35