#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 0.74 -0.12 2.12 0.52 -0.72 0.15 118.95 121.64 3ie1 s ARG 2 Ca 0.00 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.26 3ie1 s ARG 2 Cb 0.00 -0.58 0.02 0.00 0.52 0.00 0.00 34.95 34.91 3ie1 s ARG 2 CO 0.00 0.11 -0.12 -1.50 0.02 0.00 0.00 175.30 173.82 3ie1 s ILE 3 N -1.64 1.30 -0.24 1.52 1.10 0.16 -0.29 121.20 123.11 3ie1 s ILE 3 Ca -0.02 -0.49 -0.04 0.00 -0.51 0.00 0.00 60.65 59.59 3ie1 s ILE 3 Cb -0.08 -1.24 -0.01 0.00 0.15 0.00 0.00 42.46 41.28 3ie1 s ILE 3 CO 0.01 0.41 -0.01 -0.69 -2.11 0.00 0.00 174.94 172.55 3ie1 s VAL 4 N 1.37 3.52 -0.43 4.00 1.01 0.14 -0.18 120.40 129.83 3ie1 s VAL 4 Ca 0.00 -0.53 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 3ie1 s VAL 4 Cb -0.13 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 3ie1 s VAL 4 CO -0.06 0.35 1.57 -2.84 0.00 0.00 0.00 175.10 174.11 3ie1 s PRO 5 N 1.48 3.38 -0.33 2.72 0.02 -1.26 -0.53 135.00 140.48 3ie1 s PRO 5 Ca 0.05 0.98 0.07 0.00 0.02 0.00 0.00 61.00 62.13 3ie1 s PRO 5 Cb -0.15 -4.12 0.51 0.00 0.02 0.00 0.00 34.50 30.76 3ie1 s PRO 5 CO -0.02 -1.81 1.51 1.19 -0.33 0.00 0.00 177.00 177.55 3ie1 n PHE 6 N 9.71 1.59 -3.81 6.54 3.72 0.18 -0.60 117.46 134.78 3ie1 n PHE 6 Ca 0.18 -1.82 0.00 0.00 -0.05 0.00 0.00 57.45 55.76 3ie1 n PHE 6 Cb 0.48 -0.59 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 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 -1.07 0.68 1.66 1.37 0.00 -1.18 -4.26 105.19 102.39 3ie1 n GLY 7 Ca 0.39 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.00 -0.66 -2.90 4.61 0.00 0.21 -4.78 120.51 114.00 3ie1 n ALA 8 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3ie1 n ALA 8 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.98 3.42 0.00 0.00 0.00 -1.26 -0.80 121.76 121.13 3ie1 s ALA 9 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 49.98 3ie1 s ALA 9 Cb 0.00 -2.84 0.00 0.00 0.00 0.00 0.00 23.12 20.28 3ie1 s ALA 9 CO 0.00 -1.60 0.00 0.54 0.00 0.00 0.00 175.76 174.70 3ie1 n ARG 10 N 5.08 -0.35 -2.08 0.00 1.74 -1.26 -4.83 116.66 114.97 3ie1 n ARG 10 Ca -0.11 0.09 -0.01 0.00 -0.77 0.00 0.00 57.85 57.05 3ie1 n ARG 10 Cb 0.44 -3.63 -0.00 0.00 -1.02 0.00 0.00 32.46 28.25 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 -1.67 0.94 0.00 5.56 0.28 -0.90 -3.05 120.64 121.80 3ie1 n GLU 11 Ca 0.00 -0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.89 3ie1 n GLU 11 Cb 0.09 0.06 0.00 0.00 1.43 0.00 0.00 31.44 33.02 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 -0.03 0.17 -4.46 3.84 0.24 -1.25 0.36 118.33 117.20 3ie1 n VAL 12 Ca -0.00 -0.47 -0.20 0.00 -2.04 0.00 0.00 64.34 61.63 3ie1 n VAL 12 Cb 0.02 1.09 -0.04 0.00 -1.47 0.00 0.00 33.84 33.44 3ie1 n VAL 12 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3ie1 n THR 13 N -0.09 0.00 -3.54 3.34 -2.24 -1.26 -4.70 114.28 105.79 3ie1 n THR 13 Ca 0.00 -1.48 -0.21 0.00 -2.27 0.00 0.00 64.05 60.09 3ie1 n THR 13 Cb 0.11 0.31 0.08 0.00 -2.10 0.00 0.00 70.33 68.73 3ie1 n THR 13 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ie1 n GLY 14 N 1.22 -0.47 3.63 3.38 0.00 -0.57 0.66 105.19 113.04 3ie1 n GLY 14 Ca -0.13 0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3ie1 n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ie1 s SER 15 N -3.77 6.12 -0.19 1.61 0.01 -1.08 -3.44 113.70 112.97 3ie1 s SER 15 Ca 0.34 2.09 -0.09 0.00 1.31 0.00 0.00 55.95 59.60 3ie1 s SER 15 Cb -0.15 -2.52 0.07 0.00 0.21 0.00 0.00 66.02 63.63 3ie1 s SER 15 CO 0.73 -1.40 0.44 0.00 0.41 0.00 0.00 173.24 173.43 3ie1 s ALA 16 N 5.87 -1.17 -0.10 1.44 0.00 -1.26 -0.07 121.76 126.47 3ie1 s ALA 16 Ca 0.86 1.62 -0.03 0.00 0.00 0.00 0.00 51.96 54.42 3ie1 s ALA 16 Cb -0.34 -1.09 0.04 0.00 0.00 0.00 0.00 23.12 21.73 3ie1 s ALA 16 CO 0.35 -0.41 0.04 -1.01 0.00 0.00 0.00 175.76 174.73 3ie1 s HIS 17 N 1.76 0.44 -0.35 0.00 0.09 -0.78 0.50 115.29 116.95 3ie1 s HIS 17 Ca -0.08 -0.17 -0.24 0.00 -0.00 0.00 0.00 55.06 54.58 3ie1 s HIS 17 Cb -0.09 -0.71 0.01 0.00 -0.00 0.00 0.00 32.58 31.78 3ie1 s HIS 17 CO -0.14 -0.37 0.80 -1.17 -0.00 0.00 0.00 174.74 173.87 3ie1 s LEU 18 N 2.05 4.10 -0.35 0.89 2.96 0.31 -1.00 118.68 127.64 3ie1 s LEU 18 Ca 0.03 0.47 -0.16 0.00 -0.22 0.00 0.00 54.13 54.26 3ie1 s LEU 18 Cb -0.14 -3.07 -0.01 0.00 0.50 0.00 0.00 46.19 43.48 3ie1 s LEU 18 CO -0.06 -0.71 0.39 -0.22 -1.32 0.00 0.00 176.35 174.43 3ie1 s LEU 19 N 3.10 4.49 -0.41 -0.68 2.96 -0.23 0.27 118.68 128.18 3ie1 s LEU 19 Ca 0.32 -0.28 -0.08 0.00 -0.22 0.00 0.00 54.13 53.87 3ie1 s LEU 19 Cb -0.13 -2.37 0.08 0.00 0.50 0.00 0.00 46.19 44.27 3ie1 s LEU 19 CO 0.16 -0.39 0.24 -0.76 -1.32 0.00 0.00 176.35 174.28 3ie1 s LEU 20 N 2.07 5.08 -0.26 -0.68 1.43 0.60 -1.90 118.68 125.03 3ie1 s LEU 20 Ca 0.12 -1.52 -0.29 0.00 -1.03 0.00 0.00 54.13 51.42 3ie1 s LEU 20 Cb -0.17 -1.96 0.17 0.00 0.03 0.00 0.00 46.19 44.27 3ie1 s LEU 20 CO 0.12 -0.52 1.28 0.00 0.23 0.00 0.00 176.35 177.46 3ie1 s ALA 21 N 1.40 -2.09 -0.38 4.21 0.00 -0.95 -1.75 121.76 122.20 3ie1 s ALA 21 Ca 0.03 1.79 0.00 0.00 0.00 0.00 0.00 51.96 53.78 3ie1 s ALA 21 Cb -0.23 -1.38 0.00 0.00 0.00 0.00 0.00 23.12 21.51 3ie1 s ALA 21 CO 0.02 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.95 3ie1 n GLY 22 N 0.80 0.55 2.21 0.00 0.00 -1.26 -3.04 105.19 104.46 3ie1 n GLY 22 Ca -0.04 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.11 0.84 3.21 -0.02 0.00 -1.26 -1.44 105.19 104.41 3ie1 n GLY 23 Ca -0.04 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.36 1.09 -0.21 1.61 1.81 -1.17 -4.96 118.95 114.77 3ie1 s ARG 24 Ca 0.00 -1.54 -0.02 0.00 -1.72 0.00 0.00 55.73 52.44 3ie1 s ARG 24 Cb 0.00 0.04 0.06 0.00 -0.45 0.00 0.00 34.95 34.60 3ie1 s ARG 24 CO 0.00 -0.25 0.03 1.03 -0.68 0.00 0.00 175.30 175.43 3ie1 s ARG 25 N -4.03 0.81 -0.06 3.54 0.52 -1.26 -2.24 118.95 116.23 3ie1 s ARG 25 Ca 0.29 -0.58 0.02 0.00 -0.52 0.00 0.00 55.73 54.94 3ie1 s ARG 25 Cb 0.07 -2.17 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 3ie1 s ARG 25 CO 0.06 -0.67 -0.12 0.08 0.02 0.00 0.00 175.30 174.67 3ie1 s VAL 26 N 1.76 3.23 -0.24 3.52 1.01 -0.80 0.16 120.40 129.04 3ie1 s VAL 26 Ca -0.01 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.22 3ie1 s VAL 26 Cb -0.17 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 3ie1 s VAL 26 CO -0.10 0.58 0.15 -0.22 0.00 0.00 0.00 175.10 175.52 3ie1 s LEU 27 N -0.61 4.02 -0.49 3.92 1.98 0.11 -1.07 118.68 126.53 3ie1 s LEU 27 Ca 0.09 0.06 -0.16 0.00 -2.89 0.00 0.00 54.13 51.23 3ie1 s LEU 27 Cb -0.11 -2.08 0.07 0.00 0.66 0.00 0.00 46.19 44.73 3ie1 s LEU 27 CO 0.01 0.05 0.46 -0.76 -1.89 0.00 0.00 176.35 174.22 3ie1 s LEU 28 N 1.15 5.53 0.33 -0.68 1.02 -0.17 -0.53 118.68 125.33 3ie1 s LEU 28 Ca 0.07 -1.28 0.00 0.00 0.02 0.00 0.00 54.13 52.94 3ie1 s LEU 28 Cb -0.14 -2.24 0.00 0.00 0.02 0.00 0.00 46.19 43.83 3ie1 s LEU 28 CO 0.05 -0.72 0.00 0.47 0.02 0.00 0.00 176.35 176.17 3ie1 n ASP 29 N 5.43 -4.49 -2.92 2.29 8.00 0.75 -1.87 116.55 123.74 3ie1 n ASP 29 Ca -0.11 0.95 -0.13 0.00 0.71 0.00 0.00 54.79 56.21 3ie1 n ASP 29 Cb 0.44 -2.43 0.04 0.00 -0.02 0.00 0.00 41.12 39.15 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 -1.77 1.66 0.23 0.00 0.00 0.90 -0.21 107.32 108.14 3ie1 s GLY 31 Ca 0.30 -0.84 0.06 0.00 0.00 0.00 0.00 44.72 44.24 3ie1 s GLY 31 CO -0.06 -0.48 0.20 -3.16 0.00 0.00 0.00 173.10 169.59 3ie1 s MET 32 N -5.15 2.96 0.37 2.90 0.23 -1.08 -3.83 119.30 115.70 3ie1 s MET 32 Ca 0.58 -0.99 -0.23 0.00 -1.03 0.00 0.00 55.69 54.02 3ie1 s MET 32 Cb -0.11 -2.61 -0.10 0.00 -1.53 0.00 0.00 34.83 30.48 3ie1 s MET 32 CO 0.45 0.42 0.94 -0.06 -2.03 0.00 0.00 175.02 174.74 3ie1 s PHE 33 N -2.03 3.51 0.10 3.16 0.08 -1.26 -1.51 117.98 120.03 3ie1 s PHE 33 Ca 0.33 1.68 0.02 0.00 0.12 0.00 0.00 56.93 59.08 3ie1 s PHE 33 Cb -0.08 -2.87 -0.01 0.00 -0.57 0.00 0.00 43.02 39.48 3ie1 s PHE 33 CO 0.25 0.06 0.10 1.04 -0.10 0.00 0.00 175.22 176.57 3ie1 n GLN 34 N -0.01 0.14 0.00 0.44 6.02 -1.26 -4.14 117.38 118.57 3ie1 n GLN 34 Ca 0.04 -1.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.03 3ie1 n GLN 34 Cb 0.52 0.85 0.00 0.00 1.02 0.00 0.00 30.24 32.63 3ie1 n GLN 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ie1 n GLY 35 N -0.19 1.03 0.10 1.08 0.00 -1.26 -3.44 105.19 102.51 3ie1 n GLY 35 Ca 0.02 0.35 -0.17 0.00 0.00 0.00 0.00 46.02 46.22 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 0.53 0.00 1.61 5.02 -1.26 -4.63 118.16 119.44 3ie1 n LYS 36 Ca 0.00 0.47 -0.10 0.00 -2.02 0.00 0.00 58.31 56.66 3ie1 n LYS 36 Cb 0.00 -1.65 -0.07 0.00 -0.02 0.00 0.00 35.03 33.29 3ie1 n LYS 36 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3ie1 h GLU 37 N -1.00 -0.39 0.00 1.97 3.07 -1.92 -3.42 114.58 112.89 3ie1 h GLU 37 Ca -0.28 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 3ie1 h GLU 37 Cb 1.11 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3ie1 h GLU 37 CO -0.17 -0.26 0.00 0.39 -1.40 0.00 0.00 179.01 177.57 3ie1 n GLU 38 N -4.46 0.00 0.16 2.33 -0.58 -1.26 -2.96 120.64 113.88 3ie1 n GLU 38 Ca -0.04 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.82 3ie1 n GLU 38 Cb 0.25 0.00 0.57 0.00 -0.57 0.00 0.00 31.44 31.69 3ie1 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ie1 h ALA 39 N -0.01 1.00 0.00 0.62 0.00 -1.90 -1.90 119.26 117.07 3ie1 h ALA 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ie1 h ALA 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ie1 h ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3ie1 h ARG 40 N 0.00 0.00 0.00 0.00 3.08 -1.91 -1.97 114.38 113.59 3ie1 h ARG 40 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3ie1 h ARG 40 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3ie1 h ARG 40 CO 0.00 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.99 3ie1 n ASN 41 N -2.76 0.00 -0.01 7.04 5.03 -0.72 -2.24 115.26 121.60 3ie1 n ASN 41 Ca -0.01 -0.36 -0.02 0.00 0.87 0.00 0.00 54.58 55.07 3ie1 n ASN 41 Cb 0.14 0.00 -0.01 0.00 -1.02 0.00 0.00 39.78 38.88 3ie1 n ASN 41 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3ie1 n HIS 42 N -0.65 0.00 -0.88 3.10 8.25 -0.74 -4.83 115.22 119.48 3ie1 n HIS 42 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 3ie1 n HIS 42 Cb 0.01 -0.10 0.10 0.00 1.12 0.00 0.00 29.99 31.12 3ie1 n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ie1 n ALA 43 N -2.49 -3.14 -1.96 -1.41 0.00 -0.95 -4.87 120.51 105.69 3ie1 n ALA 43 Ca -0.04 -0.59 -0.41 0.00 0.00 0.00 0.00 53.44 52.39 3ie1 n ALA 43 Cb 0.55 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 3ie1 n ALA 43 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ie1 s PRO 44 N -3.20 4.37 0.00 0.00 0.04 -1.26 -4.95 135.00 130.00 3ie1 s PRO 44 Ca 0.54 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.69 3ie1 s PRO 44 Cb -0.22 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3ie1 s PRO 44 CO 0.70 -0.27 0.66 1.19 0.04 0.00 0.00 177.00 179.33 3ie1 n PHE 45 N 2.40 0.00 0.00 0.56 3.72 -1.26 -4.84 117.46 118.04 3ie1 n PHE 45 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3ie1 n PHE 45 Cb 0.42 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3ie1 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ie1 n GLY 46 N -0.97 -0.74 3.50 1.37 0.00 -1.26 -5.06 105.19 102.03 3ie1 n GLY 46 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 -0.40 -0.53 1.61 -0.71 -1.26 -5.09 117.98 111.60 3ie1 s PHE 47 Ca 0.00 0.22 -0.24 0.00 -1.04 0.00 0.00 56.93 55.87 3ie1 s PHE 47 Cb 0.00 0.56 0.04 0.00 -1.21 0.00 0.00 43.02 42.41 3ie1 s PHE 47 CO 0.00 -0.69 0.91 0.34 -1.34 0.00 0.00 175.22 174.44 3ie1 s ASP 48 N -2.62 6.36 0.00 1.98 2.15 -1.26 -4.89 116.67 118.39 3ie1 s ASP 48 Ca 0.04 -0.29 0.00 0.00 0.43 0.00 0.00 52.55 52.73 3ie1 s ASP 48 Cb -0.01 -2.43 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 3ie1 s ASP 48 CO -0.09 -1.16 0.72 -0.81 -0.17 0.00 0.00 175.17 173.66 3ie1 n PRO 49 N 7.30 0.00 0.08 4.34 -0.04 -1.26 0.45 135.00 145.87 3ie1 n PRO 49 Ca 0.02 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 63.85 3ie1 n PRO 49 Cb 0.48 -1.58 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 3ie1 n PRO 49 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3ie1 n LYS 50 N -1.22 0.62 0.14 0.54 5.02 -1.26 -3.25 118.16 118.74 3ie1 n LYS 50 Ca 0.00 0.07 0.04 0.00 -2.02 0.00 0.00 58.31 56.39 3ie1 n LYS 50 Cb 0.08 -1.77 0.03 0.00 -0.02 0.00 0.00 35.03 33.34 3ie1 n LYS 50 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3ie1 h GLU 51 N 0.00 0.00 -6.69 1.97 4.39 -0.40 -3.46 114.58 110.40 3ie1 h GLU 51 Ca -0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 3ie1 h GLU 51 Cb 1.01 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.71 3ie1 h GLU 51 CO 0.00 0.41 0.85 0.08 -1.16 0.00 0.00 179.01 179.19 3ie1 s VAL 52 N -3.00 2.52 -0.15 3.13 1.01 -1.18 -4.65 120.40 118.09 3ie1 s VAL 52 Ca 0.03 0.40 0.19 0.00 0.00 0.00 0.00 61.98 62.61 3ie1 s VAL 52 Cb 0.07 -3.26 -0.13 0.00 0.00 0.00 0.00 36.38 33.07 3ie1 s VAL 52 CO 0.75 0.05 0.79 0.47 0.00 0.00 0.00 175.10 177.16 3ie1 n ASP 53 N 3.13 0.70 -3.61 3.32 8.00 0.42 -4.78 116.55 123.72 3ie1 n ASP 53 Ca 0.11 0.29 -0.03 0.00 0.71 0.00 0.00 54.79 55.87 3ie1 n ASP 53 Cb 0.39 0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 41.98 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 -3.09 -2.16 0.00 2.24 0.00 -1.21 -4.30 121.76 113.24 3ie1 s ALA 54 Ca -0.03 1.60 0.04 0.00 0.00 0.00 0.00 51.96 53.57 3ie1 s ALA 54 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 3ie1 s ALA 54 CO 0.82 -0.64 -0.13 0.14 0.00 0.00 0.00 175.76 175.95 3ie1 s VAL 55 N -2.27 1.02 -0.09 0.00 -7.23 -1.07 0.06 120.40 110.82 3ie1 s VAL 55 Ca 0.11 -0.63 0.03 0.00 -1.81 0.00 0.00 61.98 59.68 3ie1 s VAL 55 Cb -0.00 -0.87 -0.01 0.00 0.56 0.00 0.00 36.38 36.06 3ie1 s VAL 55 CO -0.04 0.22 -0.19 -0.76 -0.31 0.00 0.00 175.10 174.03 3ie1 s LEU 56 N -0.47 2.41 -0.15 1.32 1.02 0.31 0.12 118.68 123.25 3ie1 s LEU 56 Ca 0.04 -0.40 -0.01 0.00 0.02 0.00 0.00 54.13 53.78 3ie1 s LEU 56 Cb -0.05 -1.49 -0.01 0.00 0.02 0.00 0.00 46.19 44.65 3ie1 s LEU 56 CO -0.00 0.22 -0.12 -0.76 0.02 0.00 0.00 176.35 175.71 3ie1 s LEU 57 N -0.01 2.73 0.18 1.79 2.01 0.56 -0.18 118.68 125.76 3ie1 s LEU 57 Ca -0.06 -0.35 0.05 0.00 0.01 0.00 0.00 54.13 53.78 3ie1 s LEU 57 Cb -0.15 -1.63 0.03 0.00 0.01 0.00 0.00 46.19 44.45 3ie1 s LEU 57 CO 0.05 0.13 1.41 0.71 1.01 0.00 0.00 176.35 179.65 3ie1 h THR 58 N 5.48 1.54 -2.37 5.49 1.35 -1.87 -3.42 112.91 119.10 3ie1 h THR 58 Ca -0.29 -2.70 0.18 0.00 -0.55 0.00 0.00 66.41 63.05 3ie1 h THR 58 Cb 1.20 2.48 -0.06 0.00 -1.73 0.00 0.00 68.15 70.04 3ie1 h THR 58 CO 0.57 0.78 0.57 -1.38 -0.25 0.00 0.00 175.52 175.81 3ie1 s HIS 59 N -3.18 -0.01 0.23 4.73 -3.43 -1.26 -0.36 115.29 112.00 3ie1 s HIS 59 Ca -0.02 -0.33 0.05 0.00 -0.80 0.00 0.00 55.06 53.96 3ie1 s HIS 59 Cb 0.11 0.67 0.22 0.00 -1.43 0.00 0.00 32.58 32.14 3ie1 s HIS 59 CO 0.81 -0.84 1.54 0.00 -2.00 0.00 0.00 174.74 174.25 3ie1 h ALA 60 N 2.00 0.81 -0.69 -1.38 0.00 -1.88 -3.41 119.26 114.70 3ie1 h ALA 60 Ca -0.26 -0.57 -0.51 0.00 0.00 0.00 0.00 54.91 53.56 3ie1 h ALA 60 Cb 1.22 -0.08 0.05 0.00 0.00 0.00 0.00 17.79 18.98 3ie1 h ALA 60 CO 0.31 0.76 -0.13 0.72 0.00 0.00 0.00 179.25 180.91 3ie1 n HIS 61 N -3.83 0.11 0.10 0.00 8.25 -1.26 -4.47 115.22 114.11 3ie1 n HIS 61 Ca -0.02 0.71 0.20 0.00 -0.26 0.00 0.00 57.72 58.34 3ie1 n HIS 61 Cb 0.65 -1.41 0.75 0.00 1.12 0.00 0.00 29.99 31.10 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 1.48 0.00 -1.64 2.41 5.85 -1.94 -0.03 115.31 121.44 3ie1 h LEU 62 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 3ie1 h LEU 62 Cb 0.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3ie1 h LEU 62 CO 0.43 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.63 3ie1 n ASP 63 N -3.82 2.36 0.00 1.25 5.75 -1.26 -0.02 116.55 120.81 3ie1 n ASP 63 Ca 0.07 -2.22 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 3ie1 n ASP 63 Cb 0.57 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 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 0.29 0.00 -0.30 2.11 8.25 -0.07 -2.65 115.22 122.85 3ie1 n HIS 64 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 3ie1 n HIS 64 Cb 0.48 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.50 0.00 0.28 1.59 0.31 -0.91 -0.03 118.33 119.08 3ie1 n VAL 65 Ca 0.00 -0.21 0.14 0.00 -0.01 0.00 0.00 64.34 64.26 3ie1 n VAL 65 Cb 0.00 1.30 0.86 0.00 -0.91 0.00 0.00 33.84 35.09 3ie1 n VAL 65 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3ie1 h GLY 66 N 0.00 0.00 -0.47 2.92 0.00 -0.37 -2.02 103.07 103.12 3ie1 h GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ie1 h GLY 66 CO 0.00 0.00 -0.66 0.54 0.00 0.00 0.00 176.54 176.42 3ie1 n ARG 67 N -3.96 0.69 -0.16 4.80 1.74 0.71 -4.39 116.66 116.09 3ie1 n ARG 67 Ca -0.03 -0.56 -0.04 0.00 -0.77 0.00 0.00 57.85 56.46 3ie1 n ARG 67 Cb 0.11 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.09 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 1.37 -0.70 -1.47 0.55 5.85 -0.58 0.13 115.31 120.46 3ie1 h LEU 68 Ca 0.00 0.18 0.13 0.00 0.84 0.00 0.00 57.88 59.02 3ie1 h LEU 68 Cb 0.64 0.40 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 3ie1 h LEU 68 CO 0.00 -0.23 0.51 1.55 -0.34 0.00 0.00 178.44 179.93 3ie1 h PRO 69 N -0.08 0.54 0.00 5.25 0.13 -1.77 0.91 132.00 136.98 3ie1 h PRO 69 Ca 0.24 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 65.28 3ie1 h PRO 69 Cb 0.45 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 3ie1 h PRO 69 CO -0.57 0.36 -0.26 -0.22 -0.23 0.00 0.00 178.00 177.08 3ie1 h LYS 70 N 0.55 0.00 -0.36 0.86 3.64 -1.03 -2.89 116.57 117.34 3ie1 h LYS 70 Ca 0.37 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.71 3ie1 h LYS 70 Cb 0.67 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.48 3ie1 h LYS 70 CO -0.14 0.26 0.08 1.25 -2.27 0.00 0.00 179.45 178.64 3ie1 h LEU 71 N 0.00 0.56 -1.28 5.20 5.85 -0.20 -2.44 115.31 122.99 3ie1 h LEU 71 Ca -0.00 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.41 3ie1 h LEU 71 Cb 0.58 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3ie1 h LEU 71 CO 0.03 0.66 -0.25 -0.26 -0.34 0.00 0.00 178.44 178.28 3ie1 h PHE 72 N 0.44 0.18 0.00 1.25 -1.00 -1.47 -2.75 116.94 113.59 3ie1 h PHE 72 Ca 0.11 -0.03 -0.20 0.00 2.81 0.00 0.00 57.97 60.67 3ie1 h PHE 72 Cb 0.32 -0.05 -0.07 0.00 3.61 0.00 0.00 35.95 39.77 3ie1 h PHE 72 CO 0.02 0.41 -0.30 -2.13 -1.61 0.00 0.00 178.31 174.70 3ie1 n ARG 73 N -4.18 2.01 0.00 1.51 0.63 -0.92 -2.65 116.66 113.06 3ie1 n ARG 73 Ca -0.01 -1.01 0.00 0.00 -0.92 0.00 0.00 57.85 55.91 3ie1 n ARG 73 Cb 0.34 -2.01 0.00 0.00 0.45 0.00 0.00 32.46 31.25 3ie1 n ARG 73 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3ie1 n GLU 74 N 2.53 0.00 0.00 -0.14 1.02 -1.04 -4.95 120.64 118.05 3ie1 n GLU 74 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 3ie1 n GLU 74 Cb 0.90 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.32 3ie1 n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie1 n GLY 75 N 0.00 1.33 3.70 0.62 0.00 -1.08 -4.66 105.19 105.10 3ie1 n GLY 75 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3ie1 n GLY 75 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ie1 s TYR 76 N -1.25 2.84 -0.01 1.61 6.14 -1.18 -4.62 117.35 120.87 3ie1 s TYR 76 Ca 0.00 0.72 0.02 0.00 0.64 0.00 0.00 57.07 58.45 3ie1 s TYR 76 Cb 0.00 -3.75 0.03 0.00 0.42 0.00 0.00 41.96 38.66 3ie1 s TYR 76 CO 0.00 -2.81 0.78 0.54 0.64 0.00 0.00 175.55 174.71 3ie1 n ARG 77 N 5.07 0.71 -0.22 4.97 3.00 -1.26 -4.37 116.66 124.55 3ie1 n ARG 77 Ca 0.13 -1.03 -0.05 0.00 -0.01 0.00 0.00 57.85 56.90 3ie1 n ARG 77 Cb 0.42 -0.70 0.04 0.00 0.00 0.00 0.00 32.46 32.22 3ie1 n ARG 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3ie1 n GLY 78 N -0.24 -1.94 3.92 -0.13 0.00 -1.26 -5.04 105.19 100.49 3ie1 n GLY 78 Ca 0.02 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 3ie1 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ie1 s PRO 79 N -3.42 2.18 -0.05 1.61 0.04 -1.26 -4.90 135.00 129.19 3ie1 s PRO 79 Ca 0.11 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.08 3ie1 s PRO 79 Cb -0.01 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.47 3ie1 s PRO 79 CO 0.08 -1.34 -0.02 0.08 0.04 0.00 0.00 177.00 175.84 3ie1 s VAL 80 N -3.36 0.45 -0.08 -0.36 1.01 -1.03 -2.60 120.40 114.43 3ie1 s VAL 80 Ca 0.60 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.57 3ie1 s VAL 80 Cb -0.11 -0.53 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 3ie1 s VAL 80 CO 0.47 0.23 -0.10 -0.31 0.00 0.00 0.00 175.10 175.38 3ie1 s TYR 81 N 1.29 2.84 -0.07 5.22 1.51 0.33 0.48 117.35 128.95 3ie1 s TYR 81 Ca -0.05 -0.19 -0.31 0.00 -1.01 0.00 0.00 57.07 55.51 3ie1 s TYR 81 Cb -0.13 -1.73 0.11 0.00 -0.11 0.00 0.00 41.96 40.10 3ie1 s TYR 81 CO -0.02 0.15 0.99 0.00 -1.11 0.00 0.00 175.55 175.56 3ie1 s ALA 82 N -0.47 -1.90 0.77 3.71 0.00 -1.13 -0.32 121.76 122.41 3ie1 s ALA 82 Ca 0.06 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.12 3ie1 s ALA 82 Cb -0.12 0.17 0.06 0.00 0.00 0.00 0.00 23.12 23.23 3ie1 s ALA 82 CO 0.02 -0.63 1.13 0.95 0.00 0.00 0.00 175.76 177.23 3ie1 s THR 83 N -2.76 2.80 0.17 0.00 -4.23 -1.15 -1.76 115.64 108.71 3ie1 s THR 83 Ca 0.06 0.31 -0.17 0.00 -1.18 0.00 0.00 61.69 60.71 3ie1 s THR 83 Cb -0.01 -2.72 0.11 0.00 1.34 0.00 0.00 72.50 71.23 3ie1 s THR 83 CO -0.07 -0.29 1.66 -0.09 -0.54 0.00 0.00 174.62 175.29 3ie1 h ARG 84 N -0.85 -0.02 -0.27 3.99 9.65 -1.94 0.19 114.38 125.12 3ie1 h ARG 84 Ca -0.45 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.48 3ie1 h ARG 84 Cb 1.26 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.76 3ie1 h ARG 84 CO 0.49 -0.01 -0.46 0.00 2.80 0.00 0.00 179.97 182.79 3ie1 h ALA 85 N 1.40 -0.61 -0.51 2.80 0.00 -1.90 0.46 119.26 120.90 3ie1 h ALA 85 Ca 0.21 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.22 3ie1 h ALA 85 Cb 0.34 0.91 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3ie1 h ALA 85 CO -0.45 -0.95 0.34 1.15 0.00 0.00 0.00 179.25 179.34 3ie1 h THR 86 N -0.43 0.90 -0.58 0.00 2.02 -1.32 -1.80 112.91 111.70 3ie1 h THR 86 Ca 0.09 -0.11 -0.10 0.00 0.77 0.00 0.00 66.41 67.07 3ie1 h THR 86 Cb 0.62 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3ie1 h THR 86 CO -0.50 0.06 -0.02 0.58 0.37 0.00 0.00 175.52 176.01 3ie1 h VAL 87 N 0.31 1.26 0.12 3.16 2.07 0.28 -2.25 116.25 121.20 3ie1 h VAL 87 Ca 0.23 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 3ie1 h VAL 87 Cb 0.52 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3ie1 h VAL 87 CO -0.05 0.42 -0.06 -0.07 0.02 0.00 0.00 177.57 177.83 3ie1 h LEU 88 N 0.94 -0.14 -0.99 2.57 3.38 -0.28 -3.34 115.31 117.46 3ie1 h LEU 88 Ca 0.16 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.41 3ie1 h LEU 88 Cb 0.56 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.17 3ie1 h LEU 88 CO 0.03 0.17 0.02 0.18 0.09 0.00 0.00 178.44 178.94 3ie1 n LEU 89 N -3.93 -0.11 -0.19 1.67 4.77 -0.83 -0.30 117.00 118.08 3ie1 n LEU 89 Ca -0.02 1.68 0.22 0.00 -0.03 0.00 0.00 56.01 57.87 3ie1 n LEU 89 Cb 0.06 -0.61 0.60 0.00 -2.33 0.00 0.00 43.42 41.14 3ie1 n LEU 89 CO 0.05 -1.71 1.23 -0.03 -1.33 0.00 0.00 177.39 175.60 3ie1 h MET 90 N 0.00 0.22 -0.23 3.23 4.05 -1.52 -0.33 114.93 120.34 3ie1 h MET 90 Ca 0.60 -0.01 -0.16 0.00 -0.28 0.00 0.00 59.70 59.85 3ie1 h MET 90 Cb 1.25 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 3ie1 h MET 90 CO -0.93 0.14 -0.49 1.49 0.23 0.00 0.00 176.91 177.36 3ie1 h GLU 91 N 0.23 0.73 0.70 0.39 4.81 -0.77 0.12 114.58 120.79 3ie1 h GLU 91 Ca 0.43 -0.48 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3ie1 h GLU 91 Cb 1.33 0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.78 3ie1 h GLU 91 CO -0.10 1.11 -0.35 0.82 -0.73 0.00 0.00 179.01 179.76 3ie1 h ILE 92 N 0.46 0.29 -0.97 2.32 2.04 -1.11 0.47 117.51 121.01 3ie1 h ILE 92 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 3ie1 h ILE 92 Cb 1.09 0.29 -0.08 0.00 -0.74 0.00 0.00 36.82 37.39 3ie1 h ILE 92 CO 0.11 0.00 0.61 0.58 0.00 0.00 0.00 178.15 179.45 3ie1 h VAL 93 N -0.95 0.91 0.09 1.67 2.07 -1.31 -1.51 116.25 117.22 3ie1 h VAL 93 Ca -0.09 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3ie1 h VAL 93 Cb 0.74 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3ie1 h VAL 93 CO 0.15 0.17 -0.04 0.25 0.02 0.00 0.00 177.57 178.11 3ie1 h LEU 94 N 0.93 -0.10 -0.28 2.57 5.85 -0.49 -2.44 115.31 121.34 3ie1 h LEU 94 Ca 0.47 -0.41 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3ie1 h LEU 94 Cb 0.51 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.52 3ie1 h LEU 94 CO -0.24 0.38 -0.05 -0.33 -0.34 0.00 0.00 178.44 177.86 3ie1 h GLU 95 N -0.62 0.02 0.11 1.25 4.39 -0.67 -2.67 114.58 116.38 3ie1 h GLU 95 Ca -0.01 -0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.70 3ie1 h GLU 95 Cb 0.50 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.10 3ie1 h GLU 95 CO 0.02 0.01 -0.45 0.22 -1.16 0.00 0.00 179.01 177.66 3ie1 h ASP 96 N 0.02 -1.32 -1.50 1.42 1.82 -1.32 -0.21 116.42 115.33 3ie1 h ASP 96 Ca 0.14 0.15 0.45 0.00 -0.39 0.00 0.00 57.03 57.37 3ie1 h ASP 96 Cb 0.20 0.50 -0.08 0.00 0.68 0.00 0.00 39.33 40.62 3ie1 h ASP 96 CO -0.27 -0.51 1.05 0.00 -1.61 0.00 0.00 179.24 177.90 3ie1 h ALA 97 N -0.25 3.24 -0.72 -0.78 0.00 -1.11 1.63 119.26 121.27 3ie1 h ALA 97 Ca 0.02 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3ie1 h ALA 97 Cb 0.70 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3ie1 h ALA 97 CO -0.26 -1.74 0.48 -0.07 0.00 0.00 0.00 179.25 177.66 3ie1 h LEU 98 N 0.05 0.69 0.00 0.00 3.38 -0.76 0.90 115.31 119.57 3ie1 h LEU 98 Ca 0.77 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.74 3ie1 h LEU 98 Cb 2.85 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 43.45 3ie1 h LEU 98 CO -0.14 0.45 -0.03 0.11 0.09 0.00 0.00 178.44 178.92 3ie1 h LYS 99 N 0.79 0.00 -1.01 1.13 1.57 0.24 -3.36 116.57 115.92 3ie1 h LYS 99 Ca 0.31 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.33 3ie1 h LYS 99 Cb 0.21 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.41 3ie1 h LYS 99 CO -0.10 0.00 0.62 0.28 -0.57 0.00 0.00 179.45 179.68 3ie1 h VAL 100 N -0.69 0.57 -3.04 0.50 2.07 -1.48 -3.39 116.25 110.79 3ie1 h VAL 100 Ca 0.00 -0.19 -0.46 0.00 0.82 0.00 0.00 66.70 66.87 3ie1 h VAL 100 Cb 0.03 -0.03 0.22 0.00 -1.52 0.00 0.00 31.29 29.99 3ie1 h VAL 100 CO 0.00 0.10 -0.37 0.80 0.02 0.00 0.00 177.57 178.12 3ie1 n MET 101 N -4.77 -1.89 0.00 1.57 0.00 0.31 -4.93 117.12 107.41 3ie1 n MET 101 Ca 0.25 -0.52 0.00 0.00 0.00 0.00 0.00 57.70 57.43 3ie1 n MET 101 Cb 0.75 -2.02 0.00 0.00 0.00 0.00 0.00 33.22 31.96 3ie1 n MET 101 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3ie1 n ASP 102 N -3.62 0.00 -3.12 6.12 5.75 -1.26 -4.85 116.55 115.57 3ie1 n ASP 102 Ca 0.03 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.50 3ie1 n ASP 102 Cb 0.56 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.63 3ie1 n ASP 102 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3ie1 n GLU 103 N -1.33 3.89 -1.50 0.11 -0.58 -1.26 -5.05 120.64 114.93 3ie1 n GLU 103 Ca 0.00 -4.77 -0.52 0.00 -0.42 0.00 0.00 57.16 51.45 3ie1 n GLU 103 Cb 0.00 -2.31 -0.07 0.00 -0.57 0.00 0.00 31.44 28.49 3ie1 n GLU 103 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3ie1 n PRO 104 N -0.21 1.17 0.00 3.49 -0.04 -1.26 -4.80 135.00 133.34 3ie1 n PRO 104 Ca 0.36 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 64.17 3ie1 n PRO 104 Cb 0.36 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 3ie1 n PRO 104 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3ie1 n PHE 105 N 8.93 0.00 -3.56 0.54 1.16 -1.26 -4.66 117.46 118.61 3ie1 n PHE 105 Ca 0.38 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.82 3ie1 n PHE 105 Cb 0.22 -0.01 -0.06 0.00 -1.61 0.00 0.00 39.48 38.02 3ie1 n PHE 105 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 3ie1 s PHE 106 N -1.83 -0.50 0.56 2.97 -0.71 -1.26 -4.81 117.98 112.39 3ie1 s PHE 106 Ca 0.00 0.90 0.08 0.00 -1.04 0.00 0.00 56.93 56.88 3ie1 s PHE 106 Cb 0.00 0.42 0.07 0.00 -1.21 0.00 0.00 43.02 42.30 3ie1 s PHE 106 CO 0.00 -0.44 0.67 0.20 -1.34 0.00 0.00 175.22 174.30 3ie1 s GLY 107 N -1.01 1.94 0.26 1.99 0.00 -1.26 -5.01 107.32 104.23 3ie1 s GLY 107 Ca -0.05 -1.86 0.22 0.00 0.00 0.00 0.00 44.72 43.04 3ie1 s GLY 107 CO 0.04 -1.77 1.68 -1.55 0.00 0.00 0.00 173.10 171.50 3ie1 n PRO 108 N -2.09 0.17 0.20 2.90 -0.04 -1.26 -2.22 135.00 132.67 3ie1 n PRO 108 Ca 0.10 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 3ie1 n PRO 108 Cb 0.62 -1.88 0.14 0.00 -0.04 0.00 0.00 33.50 32.35 3ie1 n PRO 108 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3ie1 h GLU 109 N 0.00 0.00 0.05 0.54 9.09 -1.99 -2.63 114.58 119.65 3ie1 h GLU 109 Ca 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.26 3ie1 h GLU 109 Cb 0.25 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.35 3ie1 h GLU 109 CO 0.00 0.00 -0.74 -0.44 0.05 0.00 0.00 179.01 177.88 3ie1 h ASP 110 N 0.00 0.17 -0.28 3.06 3.32 -1.78 -2.86 116.42 118.06 3ie1 h ASP 110 Ca -0.00 -0.85 0.08 0.00 0.02 0.00 0.00 57.03 56.28 3ie1 h ASP 110 Cb 1.00 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 3ie1 h ASP 110 CO 0.00 1.32 0.28 0.58 -1.72 0.00 0.00 179.24 179.70 3ie1 h VAL 111 N -0.73 0.49 0.09 -1.35 2.07 -1.57 0.54 116.25 115.80 3ie1 h VAL 111 Ca -0.17 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.05 3ie1 h VAL 111 Cb 1.35 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 3ie1 h VAL 111 CO -0.01 0.00 -1.57 -0.08 0.02 0.00 0.00 177.57 175.93 3ie1 h GLU 112 N 0.00 0.19 -0.01 1.57 4.81 -1.51 -3.14 114.58 116.49 3ie1 h GLU 112 Ca 0.13 -0.32 -0.20 0.00 -0.13 0.00 0.00 59.36 58.84 3ie1 h GLU 112 Cb 0.69 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 3ie1 h GLU 112 CO -0.00 1.00 -0.86 1.49 -0.73 0.00 0.00 179.01 179.91 3ie1 h GLU 113 N 0.05 0.27 0.72 1.92 4.81 -0.93 -2.91 114.58 118.52 3ie1 h GLU 113 Ca -0.25 -0.28 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 3ie1 h GLU 113 Cb 2.00 0.08 0.01 0.00 0.63 0.00 0.00 28.75 31.46 3ie1 h GLU 113 CO 0.14 0.98 -0.35 0.00 -0.73 0.00 0.00 179.01 179.05 3ie1 h ALA 114 N 0.93 -0.97 -0.50 2.92 0.00 -1.09 -2.51 119.26 118.03 3ie1 h ALA 114 Ca -0.05 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.78 3ie1 h ALA 114 Cb 1.48 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 3ie1 h ALA 114 CO 0.14 -0.96 0.67 -0.07 0.00 0.00 0.00 179.25 179.03 3ie1 h LEU 115 N -1.15 0.00 -0.47 0.00 3.38 -1.60 0.18 115.31 115.66 3ie1 h LEU 115 Ca -0.10 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.70 3ie1 h LEU 115 Cb 0.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3ie1 h LEU 115 CO 0.16 0.00 -0.57 1.23 0.09 0.00 0.00 178.44 179.36 3ie1 h GLY 116 N 0.00 0.65 1.45 0.83 0.00 -1.23 -3.06 103.07 101.71 3ie1 h GLY 116 Ca 0.24 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.80 3ie1 h GLY 116 CO -0.00 0.69 -0.03 1.42 0.00 0.00 0.00 176.54 178.62 3ie1 n HIS 117 N -3.96 0.00 -1.58 5.60 8.25 0.63 -4.83 115.22 119.33 3ie1 n HIS 117 Ca -0.03 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.99 3ie1 n HIS 117 Cb 0.62 -0.27 -0.04 0.00 1.12 0.00 0.00 29.99 31.42 3ie1 n HIS 117 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ie1 n LEU 118 N -1.24 3.12 -4.41 2.41 4.77 -1.16 -2.47 117.00 118.03 3ie1 n LEU 118 Ca 0.14 0.23 -0.33 0.00 -0.03 0.00 0.00 56.01 56.01 3ie1 n LEU 118 Cb 0.25 -1.52 -0.14 0.00 -2.33 0.00 0.00 43.42 39.69 3ie1 n LEU 118 CO 0.24 -0.70 -0.43 -0.13 -1.33 0.00 0.00 177.39 175.04 3ie1 s ARG 119 N 6.35 3.29 0.68 3.23 0.52 0.18 -4.96 118.95 128.23 3ie1 s ARG 119 Ca 1.02 -0.66 -0.17 0.00 -0.52 0.00 0.00 55.73 55.41 3ie1 s ARG 119 Cb -0.40 -2.64 0.01 0.00 0.52 0.00 0.00 34.95 32.44 3ie1 s ARG 119 CO 0.37 0.29 1.23 -1.25 0.02 0.00 0.00 175.30 175.97 3ie1 s PRO 120 N 0.16 2.41 -0.30 3.54 0.04 -1.26 -2.84 135.00 136.75 3ie1 s PRO 120 Ca -0.06 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 62.81 3ie1 s PRO 120 Cb -0.15 -1.85 0.18 0.00 0.04 0.00 0.00 34.50 32.72 3ie1 s PRO 120 CO 0.04 -1.65 0.66 -1.17 0.04 0.00 0.00 177.00 174.92 3ie1 s LEU 121 N -4.71 -1.27 0.68 -3.56 2.96 -0.72 -4.76 118.68 107.29 3ie1 s LEU 121 Ca 0.77 0.86 0.00 0.00 -0.22 0.00 0.00 54.13 55.54 3ie1 s LEU 121 Cb -0.32 2.09 0.11 0.00 0.50 0.00 0.00 46.19 48.56 3ie1 s LEU 121 CO 0.41 -0.24 0.94 -1.61 -1.32 0.00 0.00 176.35 174.54 3ie1 s GLU 122 N 2.87 1.89 0.15 1.98 0.41 -1.26 -2.96 118.70 121.78 3ie1 s GLU 122 Ca 0.17 -1.06 -0.31 0.00 -0.41 0.00 0.00 54.97 53.36 3ie1 s GLU 122 Cb -0.14 -2.37 -0.09 0.00 -1.78 0.00 0.00 34.13 29.74 3ie1 s GLU 122 CO -0.20 -1.27 1.54 0.71 -0.49 0.00 0.00 175.26 175.55 3ie1 s TYR 123 N -3.05 3.04 0.00 1.61 2.02 -1.26 -2.49 117.35 117.23 3ie1 s TYR 123 Ca 0.64 0.66 0.00 0.00 -0.37 0.00 0.00 57.07 58.00 3ie1 s TYR 123 Cb -0.06 -3.88 0.00 0.00 -0.40 0.00 0.00 41.96 37.61 3ie1 s TYR 123 CO 0.43 -3.25 0.00 0.41 -1.57 0.00 0.00 175.55 171.56 3ie1 n GLY 124 N 3.72 2.74 3.72 0.71 0.00 -1.13 -4.99 105.19 109.96 3ie1 n GLY 124 Ca 0.14 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 4.23 -0.11 1.61 2.02 -1.04 -4.93 118.70 120.48 3ie1 s GLU 125 Ca 0.00 2.32 -0.10 0.00 0.02 0.00 0.00 54.97 57.21 3ie1 s GLU 125 Cb 0.00 -3.20 -0.05 0.00 0.10 0.00 0.00 34.13 30.98 3ie1 s GLU 125 CO 0.00 -0.60 0.22 -1.58 0.02 0.00 0.00 175.26 173.32 3ie1 s TRP 126 N 1.27 3.59 -0.01 1.61 0.52 -1.26 -4.34 118.94 120.31 3ie1 s TRP 126 Ca 0.70 0.62 0.04 0.00 0.02 0.00 0.00 56.10 57.48 3ie1 s TRP 126 Cb -0.43 -2.10 -0.03 0.00 -1.15 0.00 0.00 33.47 29.76 3ie1 s TRP 126 CO 0.31 0.59 -0.13 -1.17 0.02 0.00 0.00 176.95 176.58 3ie1 s LEU 127 N -0.66 2.85 -0.08 2.99 2.96 0.18 -4.97 118.68 121.95 3ie1 s LEU 127 Ca 0.16 -0.23 0.05 0.00 -0.22 0.00 0.00 54.13 53.89 3ie1 s LEU 127 Cb -0.13 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 3ie1 s LEU 127 CO 0.05 0.30 -0.24 -0.13 -1.32 0.00 0.00 176.35 175.02 3ie1 s ARG 128 N -1.13 2.73 -0.34 1.98 1.81 -1.26 -1.52 118.95 121.22 3ie1 s ARG 128 Ca 0.14 -0.87 -0.01 0.00 -1.72 0.00 0.00 55.73 53.27 3ie1 s ARG 128 Cb -0.11 -2.18 0.13 0.00 -0.45 0.00 0.00 34.95 32.34 3ie1 s ARG 128 CO 0.04 0.27 0.19 -0.51 -0.68 0.00 0.00 175.30 174.61 3ie1 s LEU 129 N 0.10 0.92 0.00 2.53 1.43 -0.76 -5.03 118.68 117.87 3ie1 s LEU 129 Ca -0.11 -1.93 0.00 0.00 -1.03 0.00 0.00 54.13 51.06 3ie1 s LEU 129 Cb -0.16 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.66 3ie1 s LEU 129 CO 0.06 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 176.90 3ie1 n GLY 130 N 4.39 2.72 1.21 -3.19 0.00 -1.26 -2.47 105.19 106.59 3ie1 n GLY 130 Ca 0.07 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.87 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 10.24 2.56 -2.73 4.61 0.00 -0.52 -4.96 120.51 129.72 3ie1 n ALA 131 Ca 0.00 -1.41 -0.31 0.00 0.00 0.00 0.00 53.44 51.72 3ie1 n ALA 131 Cb 0.00 -0.81 -0.07 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.36 3.64 -0.05 0.00 2.96 -1.03 -4.46 118.68 118.39 3ie1 s LEU 132 Ca 0.43 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.29 3ie1 s LEU 132 Cb 0.25 -2.31 0.01 0.00 0.50 0.00 0.00 46.19 44.63 3ie1 s LEU 132 CO 0.25 0.19 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.92 3ie1 s SER 133 N -2.24 1.56 0.09 3.68 0.01 -0.11 -1.83 113.70 114.86 3ie1 s SER 133 Ca 0.27 -0.25 0.06 0.00 1.31 0.00 0.00 55.95 57.33 3ie1 s SER 133 Cb -0.12 -0.60 -0.03 0.00 0.21 0.00 0.00 66.02 65.48 3ie1 s SER 133 CO 0.19 0.05 -0.14 -0.76 0.41 0.00 0.00 173.24 172.99 3ie1 s LEU 134 N 0.46 2.32 -0.28 2.44 1.43 -0.57 -0.33 118.68 124.16 3ie1 s LEU 134 Ca -0.09 -0.69 -0.25 0.00 -1.03 0.00 0.00 54.13 52.07 3ie1 s LEU 134 Cb -0.13 -0.54 0.10 0.00 0.03 0.00 0.00 46.19 45.65 3ie1 s LEU 134 CO 0.02 -0.10 0.87 0.00 0.23 0.00 0.00 176.35 177.37 3ie1 s ALA 135 N -1.60 -1.88 0.57 4.21 0.00 -0.87 -0.64 121.76 121.55 3ie1 s ALA 135 Ca 0.02 1.97 -0.14 0.00 0.00 0.00 0.00 51.96 53.81 3ie1 s ALA 135 Cb -0.08 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.67 3ie1 s ALA 135 CO 0.03 -0.29 1.02 -0.06 0.00 0.00 0.00 175.76 176.45 3ie1 s PHE 136 N 0.34 3.40 0.11 0.00 0.08 -1.26 -1.54 117.98 119.11 3ie1 s PHE 136 Ca 0.01 1.42 0.05 0.00 0.12 0.00 0.00 56.93 58.53 3ie1 s PHE 136 Cb -0.05 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.55 3ie1 s PHE 136 CO -0.03 -0.65 -0.12 0.20 -0.10 0.00 0.00 175.22 174.53 3ie1 s GLY 137 N -3.38 0.95 -0.35 4.36 0.00 -0.27 -2.85 107.32 105.78 3ie1 s GLY 137 Ca 0.59 -1.25 -0.28 0.00 0.00 0.00 0.00 44.72 43.77 3ie1 s GLY 137 CO 0.40 -1.32 1.72 1.62 0.00 0.00 0.00 173.10 175.52 3ie1 s GLN 138 N -2.81 3.38 0.04 2.90 2.00 -1.26 -1.45 119.66 122.46 3ie1 s GLN 138 Ca 0.08 1.32 0.20 0.00 -2.00 0.00 0.00 55.36 54.95 3ie1 s GLN 138 Cb -0.03 -4.16 -0.16 0.00 0.80 0.00 0.00 33.01 29.45 3ie1 s GLN 138 CO 0.01 -1.81 0.70 0.00 -0.50 0.00 0.00 175.29 173.70 3ie1 n ALA 139 N 10.01 2.26 -3.95 1.58 0.00 -1.01 0.46 120.51 129.85 3ie1 n ALA 139 Ca 0.22 -0.55 -0.29 0.00 0.00 0.00 0.00 53.44 52.81 3ie1 n ALA 139 Cb 0.47 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 19.08 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 1.35 -0.40 0.05 0.00 0.00 -1.25 -1.45 105.19 103.48 3ie1 n GLY 140 Ca -0.08 0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -4.51 0.00 -4.00 1.61 -0.00 -1.26 -3.37 115.22 103.69 3ie1 n HIS 141 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.56 3ie1 n HIS 141 Cb 0.57 -0.48 -0.06 0.00 -0.00 0.00 0.00 29.99 30.02 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 -5.00 0.51 0.02 0.27 1.43 -1.26 -4.86 118.68 109.78 3ie1 s LEU 142 Ca -0.08 -0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 51.77 3ie1 s LEU 142 Cb 0.03 1.53 -0.07 0.00 0.03 0.00 0.00 46.19 47.71 3ie1 s LEU 142 CO 0.36 -1.06 1.69 -2.84 0.23 0.00 0.00 176.35 174.73 3ie1 s PRO 143 N -4.02 4.19 0.00 1.29 0.02 -1.26 -1.02 135.00 134.20 3ie1 s PRO 143 Ca 0.23 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.55 3ie1 s PRO 143 Cb 0.01 -3.81 0.00 0.00 0.02 0.00 0.00 34.50 30.72 3ie1 s PRO 143 CO 0.07 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 3ie1 n GLY 144 N 4.11 0.76 3.74 0.52 0.00 -1.26 -4.02 105.19 109.04 3ie1 n GLY 144 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.62 6.80 0.06 1.61 1.04 -0.19 -4.56 113.70 115.84 3ie1 s SER 145 Ca 0.00 2.52 -0.03 0.00 0.48 0.00 0.00 55.95 58.93 3ie1 s SER 145 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 3ie1 s SER 145 CO 0.00 -0.59 0.02 0.00 0.98 0.00 0.00 173.24 173.65 3ie1 s ALA 146 N -0.03 0.35 0.28 5.32 0.00 0.51 -2.42 121.76 125.77 3ie1 s ALA 146 Ca 0.57 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 51.55 3ie1 s ALA 146 Cb -0.39 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 3ie1 s ALA 146 CO 0.41 -0.40 0.03 -0.59 0.00 0.00 0.00 175.76 175.21 3ie1 s PHE 147 N -3.88 2.71 -0.06 0.00 -0.71 -0.53 -4.57 117.98 110.93 3ie1 s PHE 147 Ca 0.06 -0.25 -0.01 0.00 -1.04 0.00 0.00 56.93 55.69 3ie1 s PHE 147 Cb 0.07 -1.28 -0.03 0.00 -1.21 0.00 0.00 43.02 40.56 3ie1 s PHE 147 CO -0.10 0.57 -0.01 0.08 -1.34 0.00 0.00 175.22 174.42 3ie1 s VAL 148 N -2.34 4.21 -0.18 -2.49 1.01 0.51 -1.11 120.40 120.00 3ie1 s VAL 148 Ca 0.33 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.95 3ie1 s VAL 148 Cb -0.06 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.55 3ie1 s VAL 148 CO 0.20 0.55 -0.18 -0.69 0.00 0.00 0.00 175.10 174.98 3ie1 s VAL 149 N -0.93 2.28 -0.15 2.92 1.01 -0.59 -0.70 120.40 124.24 3ie1 s VAL 149 Ca 0.15 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3ie1 s VAL 149 Cb -0.11 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.31 3ie1 s VAL 149 CO 0.04 0.52 -0.21 0.00 0.00 0.00 0.00 175.10 175.46 3ie1 s ALA 150 N 1.24 2.29 -0.09 5.51 0.00 0.74 -2.05 121.76 129.40 3ie1 s ALA 150 Ca 0.03 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.90 3ie1 s ALA 150 Cb -0.14 -1.06 0.01 0.00 0.00 0.00 0.00 23.12 21.93 3ie1 s ALA 150 CO -0.10 -0.10 -0.18 -1.14 0.00 0.00 0.00 175.76 174.24 3ie1 s GLN 151 N 0.92 2.44 -0.23 0.00 -0.44 0.55 -1.09 119.66 121.81 3ie1 s GLN 151 Ca -0.04 -0.66 -0.32 0.00 -2.50 0.00 0.00 55.36 51.84 3ie1 s GLN 151 Cb -0.15 -1.94 0.16 0.00 -1.64 0.00 0.00 33.01 29.44 3ie1 s GLN 151 CO -0.04 0.06 1.25 0.20 0.50 0.00 0.00 175.29 177.26 3ie1 s GLY 152 N 0.62 -0.11 -1.39 2.59 0.00 -0.45 -0.93 107.32 107.65 3ie1 s GLY 152 Ca -0.14 2.27 -0.06 0.00 0.00 0.00 0.00 44.72 46.80 3ie1 s GLY 152 CO 0.04 0.90 0.84 1.18 0.00 0.00 0.00 173.10 176.06 3ie1 n GLU 153 N 0.35 -5.39 -3.48 2.90 1.02 -1.26 -0.52 120.64 114.27 3ie1 n GLU 153 Ca -0.01 0.63 -0.25 0.00 -0.02 0.00 0.00 57.16 57.51 3ie1 n GLU 153 Cb 0.58 -5.36 -0.00 0.00 -0.02 0.00 0.00 31.44 26.64 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 -1.63 -0.48 3.08 0.62 0.00 -1.26 -4.94 105.19 100.58 3ie1 n GLY 154 Ca -0.16 0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -6.14 0.58 -0.05 1.61 1.81 0.32 -5.13 118.95 111.96 3ie1 s ARG 155 Ca 0.45 -0.97 0.00 0.00 -1.72 0.00 0.00 55.73 53.49 3ie1 s ARG 155 Cb -0.24 -0.07 0.02 0.00 -0.45 0.00 0.00 34.95 34.22 3ie1 s ARG 155 CO 0.55 -0.02 -0.02 0.99 -0.68 0.00 0.00 175.30 176.12 3ie1 s THR 156 N -2.52 0.39 -0.05 0.02 2.01 -1.26 -1.34 115.64 112.89 3ie1 s THR 156 Ca -0.02 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.05 3ie1 s THR 156 Cb -0.02 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 72.00 3ie1 s THR 156 CO -0.03 0.21 -0.23 -0.22 -0.69 0.00 0.00 174.62 173.66 3ie1 s LEU 157 N 1.27 2.21 -0.13 4.42 2.96 -0.25 -0.76 118.68 128.40 3ie1 s LEU 157 Ca -0.06 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3ie1 s LEU 157 Cb -0.13 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.16 3ie1 s LEU 157 CO -0.02 0.28 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.40 3ie1 s VAL 158 N -0.34 1.89 -0.32 1.68 1.01 -0.65 -0.19 120.40 123.49 3ie1 s VAL 158 Ca 0.02 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 3ie1 s VAL 158 Cb -0.12 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.58 3ie1 s VAL 158 CO 0.02 0.52 0.13 -0.47 0.00 0.00 0.00 175.10 175.29 3ie1 s TYR 159 N 0.86 3.19 0.33 5.22 6.04 0.12 -0.77 117.35 132.34 3ie1 s TYR 159 Ca -0.07 -0.93 0.03 0.00 0.04 0.00 0.00 57.07 56.14 3ie1 s TYR 159 Cb -0.15 -2.32 0.64 0.00 -1.04 0.00 0.00 41.96 39.08 3ie1 s TYR 159 CO -0.02 -0.58 1.92 0.66 -1.54 0.00 0.00 175.55 175.99 3ie1 h SER 160 N 8.30 0.80 0.00 4.32 4.64 -1.42 0.15 113.55 130.33 3ie1 h SER 160 Ca -0.29 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3ie1 h SER 160 Cb 1.12 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3ie1 h SER 160 CO 0.62 0.50 0.00 0.61 -0.87 0.00 0.00 176.83 177.69 3ie1 n GLY 161 N -1.42 0.57 3.36 -0.77 0.00 -1.26 -4.21 105.19 101.47 3ie1 n GLY 161 Ca 0.13 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 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 4.45 0.23 1.61 1.11 -1.26 -4.34 116.67 114.46 3ie1 s ASP 162 Ca 0.00 -0.32 -0.29 0.00 0.18 0.00 0.00 52.55 52.12 3ie1 s ASP 162 Cb 0.00 -1.75 -0.09 0.00 1.07 0.00 0.00 42.92 42.15 3ie1 s ASP 162 CO 0.00 0.03 0.91 -0.76 1.18 0.00 0.00 175.17 176.53 3ie1 s LEU 163 N 1.18 4.61 0.00 1.23 1.02 -1.26 -4.39 118.68 121.07 3ie1 s LEU 163 Ca 0.02 1.88 -0.03 0.00 0.02 0.00 0.00 54.13 56.03 3ie1 s LEU 163 Cb -0.14 -3.58 0.04 0.00 0.02 0.00 0.00 46.19 42.52 3ie1 s LEU 163 CO -0.00 0.15 0.24 0.61 0.02 0.00 0.00 176.35 177.37 3ie1 n GLY 164 N 1.43 -1.15 3.23 -3.19 0.00 -0.53 -2.41 105.19 102.57 3ie1 n GLY 164 Ca -0.02 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.89 5.86 0.00 1.61 3.04 -1.24 -2.73 114.94 119.59 3ie1 s ASN 165 Ca 0.14 -2.14 0.04 0.00 0.04 0.00 0.00 52.86 50.94 3ie1 s ASN 165 Cb -0.00 -2.04 0.18 0.00 -1.54 0.00 0.00 41.25 37.85 3ie1 s ASN 165 CO 0.10 -0.66 0.98 -2.11 -3.04 0.00 0.00 177.10 172.37 3ie1 n ARG 166 N 4.63 0.04 0.07 0.43 1.85 -1.26 -2.56 116.66 119.87 3ie1 n ARG 166 Ca -0.03 0.28 0.13 0.00 -1.00 0.00 0.00 57.85 57.23 3ie1 n ARG 166 Cb 0.41 -1.50 0.45 0.00 -1.05 0.00 0.00 32.46 30.77 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 -1.33 0.19 -1.74 2.89 1.02 -1.26 -4.88 120.64 115.53 3ie1 n GLU 167 Ca 0.02 0.14 -0.30 0.00 -0.02 0.00 0.00 57.16 57.00 3ie1 n GLU 167 Cb 0.03 -1.71 0.21 0.00 -0.02 0.00 0.00 31.44 29.95 3ie1 n GLU 167 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ie1 s LYS 168 N -3.07 0.03 -0.16 3.49 1.02 -1.06 -4.80 119.74 115.19 3ie1 s LYS 168 Ca 0.11 -0.40 0.03 0.00 0.02 0.00 0.00 55.97 55.73 3ie1 s LYS 168 Cb 0.14 -1.77 -0.12 0.00 -0.52 0.00 0.00 37.83 35.56 3ie1 s LYS 168 CO 0.59 -2.83 -0.12 -0.25 -0.92 0.00 0.00 175.35 171.82 3ie1 n ASP 169 N -4.06 2.54 -0.17 2.83 10.43 -1.26 -4.74 116.55 122.12 3ie1 n ASP 169 Ca 0.16 -0.08 0.03 0.00 2.57 0.00 0.00 54.79 57.47 3ie1 n ASP 169 Cb 0.59 -0.10 0.31 0.00 1.84 0.00 0.00 41.12 43.76 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 1.12 -2.17 2.53 2.07 -1.97 -3.42 116.25 114.41 3ie1 h VAL 170 Ca -0.38 -0.29 -0.51 0.00 0.82 0.00 0.00 66.70 66.34 3ie1 h VAL 170 Cb 1.62 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3ie1 h VAL 170 CO -0.05 0.16 -0.53 -0.76 0.02 0.00 0.00 177.57 176.41 3ie1 s LEU 171 N -9.75 3.76 0.33 2.57 1.02 -1.26 -1.88 118.68 113.47 3ie1 s LEU 171 Ca -0.10 -0.30 -0.26 0.00 0.02 0.00 0.00 54.13 53.49 3ie1 s LEU 171 Cb 0.18 -2.29 -0.09 0.00 0.02 0.00 0.00 46.19 44.00 3ie1 s LEU 171 CO 0.77 -0.06 1.00 -2.16 0.02 0.00 0.00 176.35 175.92 3ie1 s PRO 172 N -3.84 4.48 0.50 1.29 0.04 -1.26 -4.47 135.00 131.73 3ie1 s PRO 172 Ca 0.33 1.48 -0.23 0.00 0.04 0.00 0.00 61.00 62.62 3ie1 s PRO 172 Cb -0.08 -2.81 -0.07 0.00 0.04 0.00 0.00 34.50 31.58 3ie1 s PRO 172 CO 0.25 0.15 1.33 -0.25 0.04 0.00 0.00 177.00 178.52 3ie1 n ASP 173 N 0.53 2.68 -4.77 6.66 8.00 -1.26 -4.25 116.55 124.14 3ie1 n ASP 173 Ca 0.02 1.03 -0.36 0.00 0.71 0.00 0.00 54.79 56.19 3ie1 n ASP 173 Cb 0.49 -1.55 -0.00 0.00 -0.02 0.00 0.00 41.12 40.03 3ie1 n ASP 173 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3ie1 s PRO 174 N -2.61 3.60 0.19 -0.24 0.02 -1.26 -4.73 135.00 129.96 3ie1 s PRO 174 Ca 0.67 1.75 -0.23 0.00 0.02 0.00 0.00 61.00 63.21 3ie1 s PRO 174 Cb -0.45 -2.27 -0.08 0.00 0.02 0.00 0.00 34.50 31.72 3ie1 s PRO 174 CO 0.53 -0.68 0.75 0.45 -0.33 0.00 0.00 177.00 177.72 3ie1 s SER 175 N -1.47 7.23 0.70 2.53 0.15 0.17 -4.99 113.70 118.04 3ie1 s SER 175 Ca 0.67 1.54 -0.14 0.00 0.70 0.00 0.00 55.95 58.72 3ie1 s SER 175 Cb -0.28 -2.46 0.02 0.00 -1.71 0.00 0.00 66.02 61.59 3ie1 s SER 175 CO 0.33 0.13 1.12 -0.76 1.20 0.00 0.00 173.24 175.26 3ie1 s LEU 176 N -1.52 3.29 0.45 3.45 1.43 -1.26 -4.73 118.68 119.78 3ie1 s LEU 176 Ca 0.39 2.03 -0.02 0.00 -1.03 0.00 0.00 54.13 55.50 3ie1 s LEU 176 Cb -0.20 -4.55 -0.02 0.00 0.03 0.00 0.00 46.19 41.45 3ie1 s LEU 176 CO 0.23 -1.87 0.70 -2.16 0.23 0.00 0.00 176.35 173.48 3ie1 s PRO 177 N -4.24 3.34 0.62 1.29 0.04 -1.26 -5.00 135.00 129.79 3ie1 s PRO 177 Ca 0.67 -0.14 -0.14 0.00 0.04 0.00 0.00 61.00 61.43 3ie1 s PRO 177 Cb -0.21 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 3ie1 s PRO 177 CO 0.45 -0.17 1.05 -1.25 0.04 0.00 0.00 177.00 177.12 3ie1 s PRO 178 N -4.60 3.25 0.28 0.56 0.04 -1.26 -4.94 135.00 128.33 3ie1 s PRO 178 Ca 0.46 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 3ie1 s PRO 178 Cb -0.10 -2.03 -0.13 0.00 0.04 0.00 0.00 34.50 32.28 3ie1 s PRO 178 CO 0.41 -0.86 1.41 -0.11 0.04 0.00 0.00 177.00 177.89 3ie1 n LEU 179 N -2.37 3.47 -4.18 -3.56 7.94 -1.26 -4.98 117.00 112.07 3ie1 n LEU 179 Ca 0.08 1.16 -0.12 0.00 -1.11 0.00 0.00 56.01 56.03 3ie1 n LEU 179 Cb 0.53 -1.48 -0.10 0.00 0.53 0.00 0.00 43.42 42.90 3ie1 n LEU 179 CO 0.50 -0.36 -0.39 0.00 -1.11 0.00 0.00 177.39 176.02 3ie1 s ALA 180 N -0.33 1.04 -0.11 1.96 0.00 -1.26 -4.97 121.76 118.09 3ie1 s ALA 180 Ca 0.64 -1.32 0.14 0.00 0.00 0.00 0.00 51.96 51.41 3ie1 s ALA 180 Cb -0.60 0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.67 3ie1 s ALA 180 CO 0.53 -0.18 1.42 -0.44 0.00 0.00 0.00 175.76 177.09 3ie1 h ASP 181 N 3.08 0.00 -3.39 0.00 3.45 -1.32 -3.39 116.42 114.86 3ie1 h ASP 181 Ca -0.36 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 57.00 3ie1 h ASP 181 Cb 1.17 0.00 -0.25 0.00 -0.56 0.00 0.00 39.33 39.69 3ie1 h ASP 181 CO 0.62 0.58 -0.23 -0.22 -1.57 0.00 0.00 179.24 178.42 3ie1 s LEU 182 N -6.51 -0.09 -0.22 1.55 2.96 -1.12 -4.27 118.68 110.99 3ie1 s LEU 182 Ca 0.03 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 54.92 3ie1 s LEU 182 Cb 0.08 1.52 0.05 0.00 0.50 0.00 0.00 46.19 48.34 3ie1 s LEU 182 CO 0.76 -0.19 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.81 3ie1 s VAL 183 N 1.10 1.74 -0.85 1.68 1.01 0.43 -1.63 120.40 123.88 3ie1 s VAL 183 Ca -0.07 -1.16 -0.23 0.00 0.00 0.00 0.00 61.98 60.53 3ie1 s VAL 183 Cb -0.07 -1.84 0.07 0.00 0.00 0.00 0.00 36.38 34.55 3ie1 s VAL 183 CO -0.10 0.10 1.21 -0.22 0.00 0.00 0.00 175.10 176.09 3ie1 s LEU 184 N 1.34 4.07 0.21 3.92 2.96 0.05 -1.79 118.68 129.44 3ie1 s LEU 184 Ca -0.03 -1.30 0.06 0.00 -0.22 0.00 0.00 54.13 52.64 3ie1 s LEU 184 Cb -0.17 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.00 3ie1 s LEU 184 CO -0.07 -1.44 0.18 0.00 -1.32 0.00 0.00 176.35 173.70 3ie1 s ALA 185 N 4.28 3.61 0.39 5.97 0.00 -1.11 -1.16 121.76 133.74 3ie1 s ALA 185 Ca 0.34 -1.32 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 3ie1 s ALA 185 Cb -0.07 -1.36 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 3ie1 s ALA 185 CO 0.00 0.36 0.69 -1.83 0.00 0.00 0.00 175.76 174.98 3ie1 s GLU 186 N -3.54 3.63 0.00 0.00 4.04 -1.26 -1.15 118.70 120.42 3ie1 s GLU 186 Ca 0.32 0.17 0.04 0.00 0.04 0.00 0.00 54.97 55.55 3ie1 s GLU 186 Cb -0.09 -2.49 0.07 0.00 0.02 0.00 0.00 34.13 31.64 3ie1 s GLU 186 CO 0.25 0.00 0.99 0.41 -1.84 0.00 0.00 175.26 175.07 3ie1 n GLY 187 N -1.53 0.62 0.17 -3.83 0.00 -0.56 -4.80 105.19 95.26 3ie1 n GLY 187 Ca -0.00 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.93 3ie1 n GLY 187 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ie1 n THR 188 N 0.08 -0.20 -2.00 2.61 -1.04 -0.55 0.12 114.28 113.30 3ie1 n THR 188 Ca 0.00 1.09 -0.28 0.00 -2.04 0.00 0.00 64.05 62.82 3ie1 n THR 188 Cb 0.76 -1.56 0.03 0.00 -1.82 0.00 0.00 70.33 67.74 3ie1 n THR 188 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3ie1 n TYR 189 N -4.67 3.03 0.32 -1.42 4.02 -1.26 -4.76 117.16 112.42 3ie1 n TYR 189 Ca 0.10 -2.60 0.20 0.00 -0.01 0.00 0.00 57.90 55.59 3ie1 n TYR 189 Cb 0.31 -0.57 1.10 0.00 -0.02 0.00 0.00 39.34 40.17 3ie1 n TYR 189 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3ie1 h GLY 190 N 2.32 0.00 1.02 2.72 0.00 0.75 -2.96 103.07 106.92 3ie1 h GLY 190 Ca 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.72 3ie1 h GLY 190 CO 1.00 0.00 -1.04 1.29 0.00 0.00 0.00 176.54 177.79 3ie1 h ASP 191 N 0.00 0.00 -5.12 0.19 -0.00 -1.83 -3.18 116.42 106.47 3ie1 h ASP 191 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 56.99 3ie1 h ASP 191 Cb 0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 39.33 39.28 3ie1 h ASP 191 CO 0.00 0.09 -0.05 0.00 -0.00 0.00 0.00 179.24 179.28 3ie1 s ARG 192 N -3.29 1.32 0.58 4.15 1.70 -1.16 -4.99 118.95 117.26 3ie1 s ARG 192 Ca -0.01 -0.93 0.02 0.00 -0.47 0.00 0.00 55.73 54.35 3ie1 s ARG 192 Cb 0.09 0.49 0.06 0.00 -0.57 0.00 0.00 34.95 35.02 3ie1 s ARG 192 CO 0.79 -0.54 0.80 -1.25 -1.08 0.00 0.00 175.30 174.02 3ie1 s PRO 193 N -3.89 2.37 0.31 3.89 0.04 -1.26 -0.84 135.00 135.61 3ie1 s PRO 193 Ca 0.11 -0.96 0.03 0.00 0.04 0.00 0.00 61.00 60.21 3ie1 s PRO 193 Cb 0.00 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 3ie1 s PRO 193 CO -0.03 -0.84 0.47 -1.01 0.04 0.00 0.00 177.00 175.63 3ie1 s HIS 194 N -2.80 3.41 0.42 0.56 3.76 -1.26 -4.82 115.29 114.56 3ie1 s HIS 194 Ca 0.59 0.11 -0.24 0.00 -0.15 0.00 0.00 55.06 55.38 3ie1 s HIS 194 Cb -0.09 -1.80 -0.08 0.00 1.11 0.00 0.00 32.58 31.72 3ie1 s HIS 194 CO 0.39 0.20 1.12 1.03 -0.85 0.00 0.00 174.74 176.63 3ie1 s ARG 195 N -4.18 3.98 0.35 1.40 0.52 -1.26 -4.92 118.95 114.85 3ie1 s ARG 195 Ca 0.39 1.69 -0.23 0.00 -0.52 0.00 0.00 55.73 57.05 3ie1 s ARG 195 Cb -0.09 -2.52 -0.15 0.00 0.52 0.00 0.00 34.95 32.70 3ie1 s ARG 195 CO 0.33 -0.34 0.29 -2.30 0.02 0.00 0.00 175.30 173.29 3ie1 n PRO 196 N -0.20 0.12 -0.00 3.54 -0.02 -1.26 -4.43 135.00 132.76 3ie1 n PRO 196 Ca 0.06 0.04 -0.17 0.00 -2.02 0.00 0.00 63.50 61.41 3ie1 n PRO 196 Cb 0.48 -1.10 -0.11 0.00 -0.02 0.00 0.00 33.50 32.75 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 0.60 0.58 -0.68 6.00 5.03 -1.87 -2.84 116.97 123.79 3ie1 h TYR 197 Ca -0.35 -0.31 0.10 0.00 2.58 0.00 0.00 58.73 60.75 3ie1 h TYR 197 Cb 1.44 -0.07 -0.08 0.00 1.55 0.00 0.00 36.73 39.57 3ie1 h TYR 197 CO 0.34 1.12 0.30 0.00 -1.32 0.00 0.00 178.16 178.60 3ie1 h ARG 198 N -0.13 0.48 -0.01 1.82 3.08 -1.90 0.33 114.38 118.05 3ie1 h ARG 198 Ca -0.07 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 3ie1 h ARG 198 Cb 1.27 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3ie1 h ARG 198 CO 0.11 0.32 -0.35 1.05 -1.07 0.00 0.00 179.97 180.03 3ie1 h GLU 199 N 0.50 0.02 -0.10 0.04 4.11 -1.94 -1.80 114.58 115.41 3ie1 h GLU 199 Ca 0.35 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.73 3ie1 h GLU 199 Cb 0.42 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 3ie1 h GLU 199 CO -0.31 0.37 -0.07 1.15 0.07 0.00 0.00 179.01 180.22 3ie1 h THR 200 N 0.02 1.34 -0.11 -1.06 2.02 -0.73 -1.71 112.91 112.68 3ie1 h THR 200 Ca -0.00 -1.16 -0.07 0.00 0.77 0.00 0.00 66.41 65.95 3ie1 h THR 200 Cb 0.63 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 3ie1 h THR 200 CO 0.05 0.33 -0.24 0.58 0.37 0.00 0.00 175.52 176.60 3ie1 h VAL 201 N -0.16 1.23 0.25 3.16 2.07 -1.07 0.10 116.25 121.82 3ie1 h VAL 201 Ca 0.02 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3ie1 h VAL 201 Cb 0.55 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3ie1 h VAL 201 CO 0.02 0.32 -0.12 -0.09 0.02 0.00 0.00 177.57 177.72 3ie1 h ARG 202 N 0.18 -0.32 -0.39 1.57 2.43 -1.26 -1.30 114.38 115.28 3ie1 h ARG 202 Ca 0.03 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3ie1 h ARG 202 Cb 0.54 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 3ie1 h ARG 202 CO 0.04 0.01 0.18 1.49 -1.51 0.00 0.00 179.97 180.19 3ie1 h GLU 203 N -0.70 0.57 -0.86 0.20 4.81 -1.19 -1.44 114.58 115.96 3ie1 h GLU 203 Ca -0.03 -0.09 0.12 0.00 -0.13 0.00 0.00 59.36 59.23 3ie1 h GLU 203 Cb 0.48 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 3ie1 h GLU 203 CO 0.06 0.51 0.56 0.35 -0.73 0.00 0.00 179.01 179.75 3ie1 h PHE 204 N 0.49 0.83 -0.23 0.92 3.04 -0.81 -1.01 116.94 120.17 3ie1 h PHE 204 Ca 0.13 0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.90 3ie1 h PHE 204 Cb 0.13 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.38 3ie1 h PHE 204 CO -0.01 0.35 -0.65 -0.07 -2.02 0.00 0.00 178.31 175.91 3ie1 h LEU 205 N 0.74 0.97 -0.17 0.59 3.38 -0.53 -2.72 115.31 117.57 3ie1 h LEU 205 Ca 0.42 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3ie1 h LEU 205 Cb 0.58 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3ie1 h LEU 205 CO -0.18 1.37 0.01 -0.33 0.09 0.00 0.00 178.44 179.40 3ie1 h GLU 206 N 0.62 0.06 0.09 1.13 5.08 -0.25 -1.08 114.58 120.23 3ie1 h GLU 206 Ca -0.01 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3ie1 h GLU 206 Cb 1.27 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 3ie1 h GLU 206 CO 0.14 0.04 -0.48 0.82 -1.00 0.00 0.00 179.01 178.53 3ie1 h ILE 207 N 0.06 0.07 -0.72 3.13 2.04 -1.22 0.20 117.51 121.07 3ie1 h ILE 207 Ca 0.08 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.10 3ie1 h ILE 207 Cb 0.09 0.07 -0.11 0.00 -0.74 0.00 0.00 36.82 36.13 3ie1 h ILE 207 CO -0.13 0.00 0.11 -0.07 0.00 0.00 0.00 178.15 178.06 3ie1 h LEU 208 N -0.69 -0.12 -0.78 1.44 3.38 -1.16 0.17 115.31 117.55 3ie1 h LEU 208 Ca 0.01 0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3ie1 h LEU 208 Cb 0.72 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3ie1 h LEU 208 CO -0.29 -0.09 0.16 -0.33 0.09 0.00 0.00 178.44 177.99 3ie1 h GLU 209 N 0.20 1.08 0.82 1.13 5.08 -0.39 0.10 114.58 122.60 3ie1 h GLU 209 Ca 0.40 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3ie1 h GLU 209 Cb 0.69 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.80 3ie1 h GLU 209 CO -0.55 0.96 -0.41 -0.22 -1.00 0.00 0.00 179.01 177.79 3ie1 h LYS 210 N 1.03 -1.08 -0.23 2.33 1.63 0.22 -1.92 116.57 118.55 3ie1 h LYS 210 Ca 0.22 0.07 -0.12 0.00 -0.85 0.00 0.00 60.65 59.96 3ie1 h LYS 210 Cb 0.36 0.25 -0.00 0.00 -0.60 0.00 0.00 32.23 32.24 3ie1 h LYS 210 CO 0.00 -0.72 -0.34 0.00 -3.45 0.00 0.00 179.45 174.94 3ie1 h THR 211 N -1.12 1.32 -0.32 1.00 1.03 -1.02 -2.99 112.91 110.81 3ie1 h THR 211 Ca -0.11 -1.55 0.00 0.00 -0.01 0.00 0.00 66.41 64.74 3ie1 h THR 211 Cb 0.87 1.77 -0.02 0.00 -1.07 0.00 0.00 68.15 69.70 3ie1 h THR 211 CO 0.17 0.48 0.21 -0.07 -0.01 0.00 0.00 175.52 176.30 3ie1 h LEU 212 N 0.33 0.38 -1.39 0.00 3.38 -0.86 0.32 115.31 117.47 3ie1 h LEU 212 Ca 0.02 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.11 3ie1 h LEU 212 Cb 0.93 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 3ie1 h LEU 212 CO 0.08 0.30 0.56 0.28 0.09 0.00 0.00 178.44 179.74 3ie1 h SER 213 N 0.43 0.56 -0.50 -0.43 0.02 -1.35 0.56 113.55 112.84 3ie1 h SER 213 Ca 0.12 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 60.98 3ie1 h SER 213 Cb -0.02 -0.07 -0.08 0.00 0.14 0.00 0.00 62.40 62.37 3ie1 h SER 213 CO -0.02 0.28 0.16 0.00 -1.14 0.00 0.00 176.83 176.10 3ie1 n GLN 214 N -4.54 3.02 -2.16 3.45 10.64 -0.89 -4.89 117.38 122.02 3ie1 n GLN 214 Ca 0.17 -2.12 -0.19 0.00 -1.83 0.00 0.00 57.00 53.03 3ie1 n GLN 214 Cb 0.51 -1.95 -0.03 0.00 -0.86 0.00 0.00 30.24 27.91 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 0.05 0.18 3.98 2.61 0.00 0.19 -4.98 105.19 107.22 3ie1 n GLY 215 Ca 0.27 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.22 1.76 -0.00 -0.02 0.00 0.11 -3.63 107.32 103.32 3ie1 s GLY 216 Ca 0.00 -1.62 -0.02 0.00 0.00 0.00 0.00 44.72 43.08 3ie1 s GLY 216 CO 0.00 -1.07 0.14 0.54 0.00 0.00 0.00 173.10 172.71 3ie1 s LYS 217 N -5.17 3.27 -0.27 2.90 1.02 -1.26 -3.20 119.74 117.03 3ie1 s LYS 217 Ca 0.66 -0.40 -0.03 0.00 0.02 0.00 0.00 55.97 56.21 3ie1 s LYS 217 Cb -0.06 -2.99 0.03 0.00 -0.52 0.00 0.00 37.83 34.29 3ie1 s LYS 217 CO 0.44 0.66 -0.00 0.08 -0.92 0.00 0.00 175.35 175.61 3ie1 s VAL 218 N -1.28 3.25 -0.18 3.17 1.01 -0.40 -0.73 120.40 125.24 3ie1 s VAL 218 Ca 0.26 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 3ie1 s VAL 218 Cb -0.12 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3ie1 s VAL 218 CO 0.17 0.09 0.10 -0.76 0.00 0.00 0.00 175.10 174.71 3ie1 s LEU 219 N 1.37 4.09 -0.29 3.92 1.02 0.10 -0.63 118.68 128.25 3ie1 s LEU 219 Ca -0.00 0.22 -0.02 0.00 0.02 0.00 0.00 54.13 54.35 3ie1 s LEU 219 Cb -0.17 -2.03 0.09 0.00 0.02 0.00 0.00 46.19 44.10 3ie1 s LEU 219 CO -0.02 0.23 0.10 -0.63 0.02 0.00 0.00 176.35 176.05 3ie1 s ILE 220 N 0.07 0.54 0.38 -0.59 1.01 -0.56 -0.96 121.20 121.08 3ie1 s ILE 220 Ca 0.08 -1.08 -0.26 0.00 0.00 0.00 0.00 60.65 59.39 3ie1 s ILE 220 Cb -0.12 -1.36 -0.09 0.00 0.01 0.00 0.00 42.46 40.90 3ie1 s ILE 220 CO -0.00 -0.62 1.12 -2.16 0.00 0.00 0.00 174.94 173.27 3ie1 s PRO 221 N 1.80 4.19 0.05 2.79 0.04 -1.26 -2.42 135.00 140.20 3ie1 s PRO 221 Ca 0.08 1.73 -0.14 0.00 0.04 0.00 0.00 61.00 62.71 3ie1 s PRO 221 Cb -0.17 -2.73 0.02 0.00 0.04 0.00 0.00 34.50 31.67 3ie1 s PRO 221 CO -0.26 -0.17 0.32 0.95 0.04 0.00 0.00 177.00 177.88 3ie1 s THR 222 N -1.44 0.08 0.29 1.26 -4.23 0.13 -4.53 115.64 107.20 3ie1 s THR 222 Ca 0.55 -0.67 -0.24 0.00 -1.18 0.00 0.00 61.69 60.15 3ie1 s THR 222 Cb -0.28 -0.99 -0.09 0.00 1.34 0.00 0.00 72.50 72.47 3ie1 s THR 222 CO 0.36 -0.37 0.88 -0.36 -0.54 0.00 0.00 174.62 174.59 3ie1 s PHE 223 N -2.75 3.69 0.20 3.99 0.40 -1.26 -3.36 117.98 118.88 3ie1 s PHE 223 Ca -0.04 1.68 0.21 0.00 -0.60 0.00 0.00 56.93 58.18 3ie1 s PHE 223 Cb -0.00 -2.84 0.84 0.00 0.51 0.00 0.00 43.02 41.52 3ie1 s PHE 223 CO -0.05 0.25 1.80 0.00 0.70 0.00 0.00 175.22 177.93 3ie1 h ALA 224 N 3.26 1.06 -0.83 5.36 0.00 -1.96 -2.40 119.26 123.74 3ie1 h ALA 224 Ca -0.47 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3ie1 h ALA 224 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3ie1 h ALA 224 CO 0.65 0.38 0.00 0.28 0.00 0.00 0.00 179.25 180.56 3ie1 n VAL 225 N -3.54 0.00 -0.13 0.00 0.31 -1.26 -4.27 118.33 109.44 3ie1 n VAL 225 Ca -0.00 0.59 -0.25 0.00 -0.01 0.00 0.00 64.34 64.66 3ie1 n VAL 225 Cb 0.45 -1.37 -0.11 0.00 -0.91 0.00 0.00 33.84 31.90 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 -1.58 0.61 -0.24 5.55 0.00 -1.26 -4.69 120.64 119.04 3ie1 n GLU 226 Ca 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 57.16 57.37 3ie1 n GLU 226 Cb 0.00 -1.53 0.02 0.00 0.00 0.00 0.00 31.44 29.93 3ie1 n GLU 226 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3ie1 h ARG 227 N -0.66 -0.12 0.44 5.31 2.47 -1.86 -1.31 114.38 118.64 3ie1 h ARG 227 Ca -0.63 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.09 3ie1 h ARG 227 Cb 1.69 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 30.02 3ie1 h ARG 227 CO -0.29 -0.08 -0.48 0.00 0.56 0.00 0.00 179.97 179.68 3ie1 h ALA 228 N 1.10 -1.12 -0.99 0.04 0.00 -1.67 -0.90 119.26 115.73 3ie1 h ALA 228 Ca 0.26 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3ie1 h ALA 228 Cb 0.56 0.73 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 3ie1 h ALA 228 CO -0.74 -1.16 0.64 -0.56 0.00 0.00 0.00 179.25 177.44 3ie1 h GLN 229 N -0.93 1.09 0.00 0.00 -0.00 -1.81 0.30 115.11 113.77 3ie1 h GLN 229 Ca -0.05 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 58.53 3ie1 h GLN 229 Cb 0.81 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.48 28.05 3ie1 h GLN 229 CO -0.08 0.72 -0.00 1.49 -0.00 0.00 0.00 178.83 180.96 3ie1 h GLU 230 N 1.13 0.00 0.09 0.06 4.81 -0.65 0.41 114.58 120.43 3ie1 h GLU 230 Ca 0.44 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.38 3ie1 h GLU 230 Cb 0.22 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.63 3ie1 h GLU 230 CO -0.18 0.00 -1.19 0.82 -0.73 0.00 0.00 179.01 177.74 3ie1 h ILE 231 N 0.00 1.29 -0.82 2.32 1.08 0.40 -2.48 117.51 119.29 3ie1 h ILE 231 Ca -0.00 -2.40 0.07 0.00 -0.39 0.00 0.00 64.86 62.14 3ie1 h ILE 231 Cb 0.01 2.63 -0.06 0.00 -3.07 0.00 0.00 36.82 36.33 3ie1 h ILE 231 CO 0.00 0.73 0.49 -0.07 -0.69 0.00 0.00 178.15 178.62 3ie1 h LEU 232 N 0.29 0.75 0.51 1.44 3.38 0.14 -1.01 115.31 120.80 3ie1 h LEU 232 Ca -0.17 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3ie1 h LEU 232 Cb 1.86 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 3ie1 h LEU 232 CO 0.23 0.47 -0.43 0.22 0.09 0.00 0.00 178.44 179.02 3ie1 h TYR 233 N 0.88 -1.15 -0.65 1.13 3.20 -0.12 0.35 116.97 120.60 3ie1 h TYR 233 Ca 0.37 0.00 0.19 0.00 3.14 0.00 0.00 58.73 62.43 3ie1 h TYR 233 Cb 0.23 0.44 -0.03 0.00 1.54 0.00 0.00 36.73 38.91 3ie1 h TYR 233 CO -0.05 -0.60 0.47 0.28 -1.64 0.00 0.00 178.16 176.62 3ie1 h VAL 234 N -0.92 0.68 -0.10 1.81 2.07 -1.01 -0.16 116.25 118.60 3ie1 h VAL 234 Ca -0.06 -0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.37 3ie1 h VAL 234 Cb 0.79 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3ie1 h VAL 234 CO -0.02 0.00 -0.32 -0.07 0.02 0.00 0.00 177.57 177.19 3ie1 h LEU 235 N 0.00 0.46 -1.23 2.57 3.38 0.25 -2.93 115.31 117.81 3ie1 h LEU 235 Ca 0.31 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.69 3ie1 h LEU 235 Cb 1.24 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.82 3ie1 h LEU 235 CO -0.00 0.98 0.52 0.22 0.09 0.00 0.00 178.44 180.25 3ie1 h TYR 236 N -0.04 0.98 -0.00 1.13 3.20 0.14 0.34 116.97 122.72 3ie1 h TYR 236 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3ie1 h TYR 236 Cb 0.94 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.88 3ie1 h TYR 236 CO 0.11 0.61 -0.10 0.25 -1.64 0.00 0.00 178.16 177.39 3ie1 n THR 237 N -4.42 0.00 -0.31 1.81 -2.24 -0.59 -4.12 114.28 104.41 3ie1 n THR 237 Ca 0.09 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3ie1 n THR 237 Cb 0.05 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 3ie1 n THR 237 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ie1 n HIS 238 N -1.28 0.00 0.20 4.78 8.25 -1.00 -4.75 115.22 121.41 3ie1 n HIS 238 Ca 0.11 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.75 3ie1 n HIS 238 Cb 0.30 0.00 0.83 0.00 1.12 0.00 0.00 29.99 32.23 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 0.00 0.00 1.21 -1.41 0.00 -0.48 0.26 103.07 102.66 3ie1 h GLY 239 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ie1 h GLY 239 CO 0.00 0.00 0.25 -2.39 0.00 0.00 0.00 176.54 174.40 3ie1 n HIS 240 N -3.59 0.27 -0.07 5.60 1.44 -1.26 0.12 115.22 117.73 3ie1 n HIS 240 Ca 0.02 0.14 0.00 0.00 -2.01 0.00 0.00 57.72 55.87 3ie1 n HIS 240 Cb 0.40 -0.53 0.00 0.00 0.12 0.00 0.00 29.99 29.98 3ie1 n HIS 240 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 3ie1 n ARG 241 N -1.75 0.82 -3.70 -1.40 1.85 0.92 -5.04 116.66 108.35 3ie1 n ARG 241 Ca -0.01 -0.35 -0.36 0.00 -1.00 0.00 0.00 57.85 56.14 3ie1 n ARG 241 Cb 0.27 -0.84 -0.06 0.00 -1.05 0.00 0.00 32.46 30.78 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 -0.43 4.41 0.16 2.89 1.43 0.33 -5.02 118.68 122.45 3ie1 s LEU 242 Ca 0.00 0.67 -0.31 0.00 -1.03 0.00 0.00 54.13 53.46 3ie1 s LEU 242 Cb 0.00 -2.49 -0.09 0.00 0.03 0.00 0.00 46.19 43.64 3ie1 s LEU 242 CO 0.00 0.31 1.43 -2.16 0.23 0.00 0.00 176.35 176.16 3ie1 s PRO 243 N -1.35 4.30 0.17 1.29 0.04 -1.26 -4.91 135.00 133.27 3ie1 s PRO 243 Ca 0.23 2.18 -0.33 0.00 0.04 0.00 0.00 61.00 63.12 3ie1 s PRO 243 Cb -0.14 -3.19 -0.13 0.00 0.04 0.00 0.00 34.50 31.08 3ie1 s PRO 243 CO 0.12 -0.45 1.69 2.89 0.04 0.00 0.00 177.00 181.29 3ie1 n ARG 244 N 3.47 2.52 -3.45 4.56 1.85 -1.26 -4.97 116.66 119.38 3ie1 n ARG 244 Ca 0.10 0.91 -0.14 0.00 -1.00 0.00 0.00 57.85 57.73 3ie1 n ARG 244 Cb 0.41 -2.74 -0.03 0.00 -1.05 0.00 0.00 32.46 29.05 3ie1 n ARG 244 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3ie1 s ALA 245 N 1.40 -1.65 0.61 2.89 0.00 -1.26 -4.99 121.76 118.77 3ie1 s ALA 245 Ca 0.78 0.73 -0.16 0.00 0.00 0.00 0.00 51.96 53.32 3ie1 s ALA 245 Cb -0.57 0.63 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3ie1 s ALA 245 CO 0.36 -0.65 1.08 -1.25 0.00 0.00 0.00 175.76 175.29 3ie1 s PRO 246 N -3.00 3.15 -0.29 0.00 0.04 -1.26 -4.77 135.00 128.87 3ie1 s PRO 246 Ca -0.03 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.33 3ie1 s PRO 246 Cb -0.01 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.61 3ie1 s PRO 246 CO -0.06 -0.95 -0.01 0.42 0.04 0.00 0.00 177.00 176.43 3ie1 s ILE 247 N -2.38 1.97 -0.23 0.56 1.01 -0.89 -2.32 121.20 118.93 3ie1 s ILE 247 Ca 0.65 -1.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.31 3ie1 s ILE 247 Cb -0.18 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 3ie1 s ILE 247 CO 0.38 -0.34 0.41 -0.31 0.00 0.00 0.00 174.94 175.08 3ie1 s TYR 248 N 1.12 3.33 -1.04 3.97 1.51 0.14 -0.80 117.35 125.58 3ie1 s TYR 248 Ca 0.02 0.57 -0.11 0.00 -1.01 0.00 0.00 57.07 56.54 3ie1 s TYR 248 Cb -0.19 -2.57 0.25 0.00 -0.11 0.00 0.00 41.96 39.34 3ie1 s TYR 248 CO -0.08 -0.11 1.04 -1.17 -1.11 0.00 0.00 175.55 174.12 3ie1 s LEU 249 N 1.65 6.32 -0.94 -1.29 2.96 0.63 -0.44 118.68 127.57 3ie1 s LEU 249 Ca 0.18 -3.25 -0.07 0.00 -0.22 0.00 0.00 54.13 50.77 3ie1 s LEU 249 Cb -0.15 -2.23 -0.12 0.00 0.50 0.00 0.00 46.19 44.19 3ie1 s LEU 249 CO 0.09 -0.43 2.74 -0.67 -1.32 0.00 0.00 176.35 176.76 3ie1 n ASP 250 N 3.41 6.32 -3.35 3.68 -0.08 0.44 -2.46 116.55 124.50 3ie1 n ASP 250 Ca 0.22 -2.42 -0.12 0.00 -1.51 0.00 0.00 54.79 50.96 3ie1 n ASP 250 Cb 0.42 -1.30 -0.08 0.00 2.34 0.00 0.00 41.12 42.50 3ie1 n ASP 250 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3ie1 s SER 251 N 2.54 0.82 0.27 1.67 0.15 -1.26 -4.59 113.70 113.30 3ie1 s SER 251 Ca 0.56 -0.39 -0.00 0.00 0.70 0.00 0.00 55.95 56.83 3ie1 s SER 251 Cb 0.18 0.89 0.51 0.00 -1.71 0.00 0.00 66.02 65.89 3ie1 s SER 251 CO -0.03 -0.35 1.83 -0.65 1.20 0.00 0.00 173.24 175.24 3ie1 h PRO 252 N 8.20 0.95 0.01 5.44 0.11 -1.84 -0.79 132.00 144.09 3ie1 h PRO 252 Ca -0.12 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.93 3ie1 h PRO 252 Cb 1.11 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3ie1 h PRO 252 CO 0.29 0.63 -0.01 1.98 -0.21 0.00 0.00 178.00 180.68 3ie1 h MET 253 N 0.98 -0.02 -0.29 1.05 4.05 -1.95 -1.95 114.93 116.81 3ie1 h MET 253 Ca 0.48 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.98 3ie1 h MET 253 Cb 0.44 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 3ie1 h MET 253 CO -0.26 0.39 0.29 0.00 0.23 0.00 0.00 176.91 177.57 3ie1 h ALA 254 N 0.55 1.98 0.12 0.39 0.00 -1.63 -0.30 119.26 120.37 3ie1 h ALA 254 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ie1 h ALA 254 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ie1 h ALA 254 CO 0.00 -0.44 -0.06 0.78 0.00 0.00 0.00 179.25 179.54 3ie1 h GLY 255 N 0.00 -0.17 0.76 0.00 0.00 -0.72 -0.77 103.07 102.17 3ie1 h GLY 255 Ca 0.14 0.06 0.15 0.00 0.00 0.00 0.00 47.33 47.68 3ie1 h GLY 255 CO -0.00 -0.06 0.47 3.21 0.00 0.00 0.00 176.54 180.16 3ie1 h ARG 256 N -0.68 0.29 -0.01 4.80 3.08 -0.33 0.01 114.38 121.54 3ie1 h ARG 256 Ca -0.02 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3ie1 h ARG 256 Cb 0.52 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3ie1 h ARG 256 CO 0.03 0.19 -0.03 0.28 -1.07 0.00 0.00 179.97 179.37 3ie1 h VAL 257 N 0.30 1.48 -0.99 2.04 2.07 -1.21 -2.66 116.25 117.28 3ie1 h VAL 257 Ca 0.34 -1.46 0.21 0.00 0.82 0.00 0.00 66.70 66.60 3ie1 h VAL 257 Cb 0.89 2.44 -0.10 0.00 -1.52 0.00 0.00 31.29 33.01 3ie1 h VAL 257 CO -0.08 0.38 0.62 0.25 0.02 0.00 0.00 177.57 178.76 3ie1 h LEU 258 N -0.56 0.68 -0.42 2.57 5.85 0.39 0.47 115.31 124.29 3ie1 h LEU 258 Ca -0.00 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3ie1 h LEU 258 Cb 0.64 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3ie1 h LEU 258 CO 0.01 0.22 0.03 0.28 -0.34 0.00 0.00 178.44 178.64 3ie1 h SER 259 N 0.65 0.71 0.25 1.25 0.02 -1.01 -2.77 113.55 112.65 3ie1 h SER 259 Ca 0.57 -0.29 -0.04 0.00 -0.84 0.00 0.00 61.79 61.19 3ie1 h SER 259 Cb 1.04 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 3ie1 h SER 259 CO -0.35 0.83 -0.18 0.25 -1.14 0.00 0.00 176.83 176.23 3ie1 h LEU 260 N 0.58 0.00 -1.00 5.07 5.85 -0.58 -3.29 115.31 121.93 3ie1 h LEU 260 Ca 0.12 0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.03 3ie1 h LEU 260 Cb 0.44 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.37 3ie1 h LEU 260 CO 0.02 0.18 0.60 1.88 -0.34 0.00 0.00 178.44 180.78 3ie1 h TYR 261 N 0.00 1.06 -0.32 1.25 0.99 -0.99 -1.93 116.97 117.03 3ie1 h TYR 261 Ca -0.00 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 3ie1 h TYR 261 Cb 0.36 -0.32 -0.02 0.00 1.00 0.00 0.00 36.73 37.76 3ie1 h TYR 261 CO 0.00 0.23 0.16 -1.35 -0.00 0.00 0.00 178.16 177.20 3ie1 h PRO 262 N 0.75 0.43 0.00 4.88 0.11 -1.75 -0.36 132.00 136.06 3ie1 h PRO 262 Ca 0.58 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.65 3ie1 h PRO 262 Cb 0.90 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3ie1 h PRO 262 CO -0.39 0.33 0.00 0.54 -0.21 0.00 0.00 178.00 178.27 3ie1 n ARG 263 N -4.44 0.62 -0.16 1.05 1.74 -0.73 -3.10 116.66 111.64 3ie1 n ARG 263 Ca 0.02 0.02 0.09 0.00 -0.77 0.00 0.00 57.85 57.20 3ie1 n ARG 263 Cb 0.10 -1.50 0.13 0.00 -1.02 0.00 0.00 32.46 30.18 3ie1 n ARG 263 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ie1 n LEU 264 N -1.13 2.19 -0.26 0.55 4.32 -0.16 -4.80 117.00 117.70 3ie1 n LEU 264 Ca 0.17 -2.99 0.15 0.00 -0.02 0.00 0.00 56.01 53.32 3ie1 n LEU 264 Cb 0.15 -0.40 0.43 0.00 -1.62 0.00 0.00 43.42 41.98 3ie1 n LEU 264 CO 0.17 0.73 1.22 1.62 -1.22 0.00 0.00 177.39 179.91 3ie1 h VAL 265 N 0.68 0.76 0.00 4.08 3.04 -1.46 -0.41 116.25 122.94 3ie1 h VAL 265 Ca -0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.49 3ie1 h VAL 265 Cb 1.04 0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 3ie1 h VAL 265 CO 0.00 0.10 0.00 -2.11 -1.01 0.00 0.00 177.57 174.55 3ie1 n ARG 266 N -4.56 0.06 0.00 4.17 1.85 -1.26 -1.88 116.66 115.04 3ie1 n ARG 266 Ca 0.19 0.27 0.11 0.00 -1.00 0.00 0.00 57.85 57.41 3ie1 n ARG 266 Cb 0.57 -1.50 0.01 0.00 -1.05 0.00 0.00 32.46 30.49 3ie1 n ARG 266 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3ie1 n TYR 267 N -1.32 0.00 -2.71 2.89 4.01 -0.16 -4.99 117.16 114.89 3ie1 n TYR 267 Ca 0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.55 3ie1 n TYR 267 Cb 0.04 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.13 3ie1 n TYR 267 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3ie1 s PHE 268 N -2.30 2.31 1.28 -0.72 0.08 -0.79 -4.61 117.98 113.23 3ie1 s PHE 268 Ca 0.19 -0.21 -0.17 0.00 0.12 0.00 0.00 56.93 56.85 3ie1 s PHE 268 Cb 0.17 -2.72 0.32 0.00 -0.57 0.00 0.00 43.02 40.22 3ie1 s PHE 268 CO 0.51 -1.11 0.99 -1.54 -0.10 0.00 0.00 175.22 173.96 3ie1 s SER 269 N -4.54 0.05 0.03 1.36 1.04 -0.79 -4.67 113.70 106.19 3ie1 s SER 269 Ca 0.60 1.18 -0.31 0.00 0.48 0.00 0.00 55.95 57.90 3ie1 s SER 269 Cb -0.08 -1.77 -0.17 0.00 0.10 0.00 0.00 66.02 64.09 3ie1 s SER 269 CO 0.40 -4.73 1.29 -0.33 0.98 0.00 0.00 173.24 170.85 3ie1 h GLU 270 N -2.98 -1.08 -0.90 4.02 4.39 -1.91 -2.38 114.58 113.74 3ie1 h GLU 270 Ca -0.54 0.07 0.37 0.00 0.34 0.00 0.00 59.36 59.60 3ie1 h GLU 270 Cb 1.34 0.25 -0.16 0.00 -0.10 0.00 0.00 28.75 30.07 3ie1 h GLU 270 CO 0.41 -0.72 0.44 -1.91 -1.16 0.00 0.00 179.01 176.08 3ie1 n GLU 271 N -5.52 -0.06 0.13 2.33 2.13 -1.26 0.20 120.64 118.60 3ie1 n GLU 271 Ca -0.14 1.25 -0.01 0.00 0.66 0.00 0.00 57.16 58.92 3ie1 n GLU 271 Cb 0.44 -2.22 0.12 0.00 0.27 0.00 0.00 31.44 30.05 3ie1 n GLU 271 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3ie1 h VAL 272 N 0.00 1.38 0.04 6.31 2.07 -1.79 -3.24 116.25 121.03 3ie1 h VAL 272 Ca 0.75 -2.34 -0.22 0.00 0.82 0.00 0.00 66.70 65.70 3ie1 h VAL 272 Cb 1.95 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 34.00 3ie1 h VAL 272 CO -0.71 0.65 -1.01 1.56 0.02 0.00 0.00 177.57 178.08 3ie1 h GLN 273 N 0.00 0.17 -0.43 1.57 4.20 0.29 -3.19 115.11 117.72 3ie1 h GLN 273 Ca -0.01 -0.24 0.07 0.00 0.06 0.00 0.00 58.65 58.54 3ie1 h GLN 273 Cb 1.24 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 29.04 3ie1 h GLN 273 CO 0.09 1.04 0.06 0.00 -0.67 0.00 0.00 178.83 179.35 3ie1 h ALA 274 N 0.86 0.45 0.16 3.87 0.00 -1.30 0.24 119.26 123.55 3ie1 h ALA 274 Ca -0.06 0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3ie1 h ALA 274 Cb 1.70 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.61 3ie1 h ALA 274 CO 0.15 -0.34 -0.22 0.45 0.00 0.00 0.00 179.25 179.29 3ie1 h HIS 275 N 0.18 -0.58 -0.14 0.00 3.86 -1.64 0.51 115.15 117.35 3ie1 h HIS 275 Ca 0.21 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.47 3ie1 h HIS 275 Cb 0.28 0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 3ie1 h HIS 275 CO -0.23 -0.32 0.18 0.74 0.86 0.00 0.00 177.93 179.16 3ie1 h PHE 276 N -0.44 0.00 -0.06 2.45 0.04 -1.19 0.43 116.94 118.17 3ie1 h PHE 276 Ca 0.01 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.55 3ie1 h PHE 276 Cb 0.44 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.60 3ie1 h PHE 276 CO -0.19 0.00 -0.91 1.25 -0.60 0.00 0.00 178.31 177.87 3ie1 h LEU 277 N 0.00 0.81 -0.70 1.54 5.85 0.15 -2.89 115.31 120.07 3ie1 h LEU 277 Ca 0.06 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3ie1 h LEU 277 Cb 0.42 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3ie1 h LEU 277 CO -0.00 1.39 0.00 0.00 -0.34 0.00 0.00 178.44 179.49 3ie1 n GLN 278 N -3.86 0.87 -0.68 1.25 1.13 0.08 -4.82 117.38 111.36 3ie1 n GLN 278 Ca -0.08 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.98 3ie1 n GLN 278 Cb 0.81 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.86 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 0.16 0.80 3.90 1.08 0.00 -1.09 -5.00 105.19 105.05 3ie1 n GLY 279 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.33 3.58 -0.47 1.61 1.02 -0.85 -4.97 119.74 119.33 3ie1 s LYS 280 Ca 0.00 -0.17 -0.13 0.00 0.02 0.00 0.00 55.97 55.70 3ie1 s LYS 280 Cb 0.00 -2.91 0.09 0.00 -0.52 0.00 0.00 37.83 34.49 3ie1 s LYS 280 CO 0.00 0.52 0.37 1.21 -0.92 0.00 0.00 175.35 176.52 3ie1 s ASN 281 N -2.39 5.94 0.43 2.83 3.84 -1.26 -2.75 114.94 121.58 3ie1 s ASN 281 Ca 0.38 -1.55 0.30 0.00 0.21 0.00 0.00 52.86 52.21 3ie1 s ASN 281 Cb -0.12 -2.10 1.44 0.00 -0.55 0.00 0.00 41.25 39.91 3ie1 s ASN 281 CO 0.25 -0.66 1.90 1.55 -2.79 0.00 0.00 177.10 177.35 3ie1 h PRO 282 N 8.63 0.00 -0.82 0.43 0.13 -1.91 -2.90 132.00 135.56 3ie1 h PRO 282 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 3ie1 h PRO 282 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3ie1 h PRO 282 CO 0.87 0.00 0.02 1.19 -0.23 0.00 0.00 178.00 179.85 3ie1 n PHE 283 N -2.61 1.01 -3.24 1.56 3.72 -1.26 -4.35 117.46 112.29 3ie1 n PHE 283 Ca -0.00 -0.40 -0.25 0.00 -0.05 0.00 0.00 57.45 56.75 3ie1 n PHE 283 Cb 0.16 -0.32 -0.08 0.00 -0.94 0.00 0.00 39.48 38.30 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 0.25 0.62 -0.50 -1.08 1.74 -1.10 -4.77 116.66 111.81 3ie1 n ARG 284 Ca 0.14 -3.23 -0.29 0.00 -0.77 0.00 0.00 57.85 53.70 3ie1 n ARG 284 Cb 0.72 -1.33 0.25 0.00 -1.02 0.00 0.00 32.46 31.08 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 1.73 -2.37 -2.18 5.56 -0.04 -1.26 -4.89 135.00 131.55 3ie1 n PRO 285 Ca 0.23 -0.66 -0.42 0.00 -0.04 0.00 0.00 63.50 62.61 3ie1 n PRO 285 Cb 0.52 -2.09 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 3ie1 n PRO 285 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ie1 s ALA 286 N -2.37 3.61 0.00 0.55 0.00 -1.26 -2.87 121.76 119.42 3ie1 s ALA 286 Ca 0.67 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.46 3ie1 s ALA 286 Cb -0.23 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.23 3ie1 s ALA 286 CO 0.65 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.70 3ie1 n GLY 287 N 3.81 0.67 3.72 0.00 0.00 -1.26 -4.71 105.19 107.41 3ie1 n GLY 287 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 3.99 -4.06 0.99 7.94 -1.14 -2.09 117.00 122.63 3ie1 n LEU 288 Ca 0.00 1.12 -0.16 0.00 -1.11 0.00 0.00 56.01 55.86 3ie1 n LEU 288 Cb 0.00 -1.55 -0.13 0.00 0.53 0.00 0.00 43.42 42.27 3ie1 n LEU 288 CO 0.00 0.05 -0.42 -0.70 -1.11 0.00 0.00 177.39 175.20 3ie1 s GLU 289 N 0.12 0.62 -0.34 1.96 2.56 0.02 -4.91 118.70 118.72 3ie1 s GLU 289 Ca 0.69 -0.62 0.03 0.00 0.00 0.00 0.00 54.97 55.07 3ie1 s GLU 289 Cb -0.53 -0.51 0.10 0.00 2.00 0.00 0.00 34.13 35.19 3ie1 s GLU 289 CO 0.43 0.12 0.06 0.08 -0.56 0.00 0.00 175.26 175.39 3ie1 s VAL 290 N -0.92 2.07 -0.42 3.70 1.01 -1.26 -0.27 120.40 124.31 3ie1 s VAL 290 Ca -0.04 -2.23 -0.28 0.00 0.00 0.00 0.00 61.98 59.44 3ie1 s VAL 290 Cb -0.07 -2.54 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 3ie1 s VAL 290 CO 0.01 -0.62 1.78 -0.69 0.00 0.00 0.00 175.10 175.58 3ie1 s VAL 291 N 0.98 3.49 0.04 2.92 1.01 -1.03 -4.90 120.40 122.91 3ie1 s VAL 291 Ca 0.11 0.45 -0.18 0.00 0.00 0.00 0.00 61.98 62.36 3ie1 s VAL 291 Cb -0.19 -3.79 -0.17 0.00 0.00 0.00 0.00 36.38 32.24 3ie1 s VAL 291 CO -0.10 -0.59 1.26 -0.33 0.00 0.00 0.00 175.10 175.34 3ie1 h GLU 292 N 13.28 0.50 -5.65 2.72 4.39 -1.95 -3.37 114.58 124.51 3ie1 h GLU 292 Ca -0.31 -0.37 -0.52 0.00 0.34 0.00 0.00 59.36 58.50 3ie1 h GLU 292 Cb 1.16 0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 29.74 3ie1 h GLU 292 CO 1.09 0.99 -0.69 -1.01 -1.16 0.00 0.00 179.01 178.23 3ie1 s HIS 293 N -3.82 2.03 0.17 4.33 3.76 -1.26 -4.74 115.29 115.76 3ie1 s HIS 293 Ca -0.13 -0.61 -0.26 0.00 -0.15 0.00 0.00 55.06 53.91 3ie1 s HIS 293 Cb 0.06 -1.10 0.04 0.00 1.11 0.00 0.00 32.58 32.69 3ie1 s HIS 293 CO 0.81 0.38 1.56 1.15 -0.85 0.00 0.00 174.74 177.80 3ie1 h THR 294 N 2.27 0.06 -0.58 1.30 2.02 -1.99 -2.45 112.91 113.55 3ie1 h THR 294 Ca -0.40 0.00 0.11 0.00 0.77 0.00 0.00 66.41 66.89 3ie1 h THR 294 Cb 1.24 0.06 -0.11 0.00 -1.74 0.00 0.00 68.15 67.60 3ie1 h THR 294 CO 0.66 0.00 -0.24 -0.33 0.37 0.00 0.00 175.52 175.99 3ie1 h GLU 295 N -0.18 -0.09 -0.32 6.66 3.07 -1.99 0.20 114.58 121.92 3ie1 h GLU 295 Ca 0.19 0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.94 3ie1 h GLU 295 Cb 0.55 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 3ie1 h GLU 295 CO -0.75 -0.06 -0.30 0.00 -1.40 0.00 0.00 179.01 176.50 3ie1 h ALA 296 N 1.30 0.87 0.23 3.43 0.00 -1.93 -1.72 119.26 121.45 3ie1 h ALA 296 Ca 0.26 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3ie1 h ALA 296 Cb 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3ie1 h ALA 296 CO -0.64 0.63 -0.11 1.03 0.00 0.00 0.00 179.25 180.16 3ie1 h SER 297 N 0.58 -0.27 0.07 0.00 0.87 -0.64 -2.96 113.55 111.20 3ie1 h SER 297 Ca 0.07 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3ie1 h SER 297 Cb 0.80 0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 3ie1 h SER 297 CO 0.07 -0.15 -0.13 0.11 -0.53 0.00 0.00 176.83 176.20 3ie1 h LYS 298 N -0.37 -0.24 -0.26 2.24 1.57 -0.66 -1.08 116.57 117.77 3ie1 h LYS 298 Ca -0.03 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3ie1 h LYS 298 Cb 0.28 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3ie1 h LYS 298 CO 0.05 -0.16 0.84 0.00 -0.57 0.00 0.00 179.45 179.61 3ie1 h ALA 299 N 0.64 2.07 0.00 3.86 0.00 -1.18 1.00 119.26 125.64 3ie1 h ALA 299 Ca 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ie1 h ALA 299 Cb 0.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3ie1 h ALA 299 CO -0.08 -0.97 -0.40 -0.07 0.00 0.00 0.00 179.25 177.73 3ie1 h LEU 300 N 0.00 0.00 -0.32 0.00 3.38 -1.03 -2.80 115.31 114.54 3ie1 h LEU 300 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3ie1 h LEU 300 Cb 1.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 3ie1 h LEU 300 CO -0.00 0.40 0.07 0.78 0.09 0.00 0.00 178.44 179.78 3ie1 h ASN 301 N 0.00 0.49 -0.06 -0.43 2.35 0.92 -3.23 115.58 115.63 3ie1 h ASN 301 Ca -0.00 -0.24 -0.05 0.00 -0.55 0.00 0.00 56.30 55.46 3ie1 h ASN 301 Cb 0.80 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3ie1 h ASN 301 CO 0.05 0.60 -0.16 0.08 -1.65 0.00 0.00 177.43 176.35 3ie1 h ARG 302 N 0.36 0.21 -6.56 0.81 -0.00 -1.66 -3.45 114.38 104.09 3ie1 h ARG 302 Ca 0.10 -0.15 -0.58 0.00 -0.00 0.00 0.00 59.98 59.34 3ie1 h ARG 302 Cb 0.30 0.02 0.16 0.00 -0.00 0.00 0.00 29.97 30.46 3ie1 h ARG 302 CO 0.00 0.77 -0.19 0.00 -0.00 0.00 0.00 179.97 180.55 3ie1 n ALA 303 N -2.45 -0.70 -2.24 0.08 0.00 -1.06 -4.97 120.51 109.17 3ie1 n ALA 303 Ca -0.08 0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.15 3ie1 n ALA 303 Cb 0.40 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3ie1 n ALA 303 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3ie1 s PRO 304 N -2.11 3.44 0.26 0.00 0.04 -1.26 -4.96 135.00 130.41 3ie1 s PRO 304 Ca 0.68 0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.84 3ie1 s PRO 304 Cb -0.49 -2.36 0.06 0.00 0.04 0.00 0.00 34.50 31.75 3ie1 s PRO 304 CO 0.54 -0.28 0.27 0.41 0.04 0.00 0.00 177.00 177.98 3ie1 n GLY 305 N -2.31 -2.03 3.82 0.56 0.00 -1.24 -4.79 105.19 99.20 3ie1 n GLY 305 Ca 0.01 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.60 2.61 -0.23 1.61 0.04 -1.24 -4.90 135.00 129.28 3ie1 s PRO 306 Ca 0.17 0.77 -0.34 0.00 0.04 0.00 0.00 61.00 61.64 3ie1 s PRO 306 Cb -0.01 -1.97 0.16 0.00 0.04 0.00 0.00 34.50 32.72 3ie1 s PRO 306 CO 0.12 -1.28 1.27 0.00 0.04 0.00 0.00 177.00 177.15 3ie1 s MET 307 N -5.12 0.21 -0.11 4.56 0.23 -1.19 -4.46 119.30 113.41 3ie1 s MET 307 Ca 0.59 -0.04 0.02 0.00 -1.03 0.00 0.00 55.69 55.24 3ie1 s MET 307 Cb -0.14 0.10 0.01 0.00 -1.53 0.00 0.00 34.83 33.27 3ie1 s MET 307 CO 0.54 -0.08 -0.19 0.08 -2.03 0.00 0.00 175.02 173.35 3ie1 s VAL 308 N -1.88 1.73 -0.04 5.16 1.01 -0.98 -1.27 120.40 124.13 3ie1 s VAL 308 Ca 0.09 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.34 3ie1 s VAL 308 Cb -0.01 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 3ie1 s VAL 308 CO -0.05 0.49 -0.24 -0.69 0.00 0.00 0.00 175.10 174.61 3ie1 s VAL 309 N 0.78 2.19 -0.09 2.92 1.01 0.19 0.27 120.40 127.68 3ie1 s VAL 309 Ca -0.10 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.86 3ie1 s VAL 309 Cb -0.16 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.45 3ie1 s VAL 309 CO 0.01 0.58 -0.12 -0.76 0.00 0.00 0.00 175.10 174.80 3ie1 s LEU 310 N -0.41 1.58 0.08 3.92 1.43 0.41 -1.50 118.68 124.19 3ie1 s LEU 310 Ca 0.04 -0.34 -0.26 0.00 -1.03 0.00 0.00 54.13 52.53 3ie1 s LEU 310 Cb -0.12 -0.92 0.08 0.00 0.03 0.00 0.00 46.19 45.26 3ie1 s LEU 310 CO 0.01 -0.00 0.80 0.00 0.23 0.00 0.00 176.35 177.39 3ie1 s ALA 311 N 0.98 -1.71 0.00 4.21 0.00 -1.02 -0.42 121.76 123.81 3ie1 s ALA 311 Ca -0.08 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.57 3ie1 s ALA 311 Cb -0.15 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.58 3ie1 s ALA 311 CO -0.00 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 175.39 3ie1 n GLY 312 N -0.32 6.12 3.56 0.00 0.00 -1.24 0.17 105.19 113.48 3ie1 n GLY 312 Ca -0.11 -2.02 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 3ie1 n GLY 312 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ie1 n SER 313 N -0.53 -0.68 0.17 1.61 3.41 -0.42 -1.16 113.62 116.02 3ie1 n SER 313 Ca 0.00 0.30 0.13 0.00 -0.26 0.00 0.00 58.87 59.05 3ie1 n SER 313 Cb 0.00 -1.36 0.53 0.00 -0.26 0.00 0.00 64.21 63.12 3ie1 n SER 313 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3ie1 h GLY 314 N -1.91 0.00 -4.59 5.00 0.00 -1.82 -3.17 103.07 96.58 3ie1 h GLY 314 Ca -0.46 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.30 3ie1 h GLY 314 CO 0.40 0.00 -0.76 1.03 0.00 0.00 0.00 176.54 177.21 3ie1 n MET 315 N -2.46 3.26 -0.55 4.80 2.81 -1.26 -4.58 117.12 119.13 3ie1 n MET 315 Ca 0.02 -4.43 0.00 0.00 -1.81 0.00 0.00 57.70 51.48 3ie1 n MET 315 Cb 0.27 -2.18 0.00 0.00 -0.71 0.00 0.00 33.22 30.60 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 -0.44 0.00 -1.90 4.03 4.77 -1.20 -4.70 117.00 117.57 3ie1 n LEU 316 Ca 0.37 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 56.23 3ie1 n LEU 316 Cb 0.66 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 41.33 3ie1 n LEU 316 CO 0.33 0.00 1.36 0.00 -1.33 0.00 0.00 177.39 177.74 3ie1 n ALA 317 N -0.55 5.45 0.00 -1.18 0.00 -1.26 -4.84 120.51 118.13 3ie1 n ALA 317 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 53.44 52.03 3ie1 n ALA 317 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 17.71 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 1.62 -0.91 0.00 0.00 0.00 -1.26 -4.86 105.19 99.78 3ie1 n GLY 318 Ca 0.28 -2.26 0.00 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.61 -0.78 0.27 -0.02 0.00 -1.26 -1.30 105.19 101.49 3ie1 n GLY 319 Ca 0.00 -1.71 0.10 0.00 0.00 0.00 0.00 46.02 44.41 3ie1 n GLY 319 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ie1 h ARG 320 N 0.00 0.00 -0.30 1.61 3.08 -1.78 -2.55 114.38 114.45 3ie1 h ARG 320 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 3ie1 h ARG 320 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3ie1 h ARG 320 CO 0.00 0.00 0.22 0.97 -1.07 0.00 0.00 179.97 180.09 3ie1 h ILE 321 N 0.00 0.81 -0.15 2.04 6.09 -1.37 -1.78 117.51 123.15 3ie1 h ILE 321 Ca 0.02 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.49 3ie1 h ILE 321 Cb 0.08 0.85 -0.01 0.00 0.47 0.00 0.00 36.82 38.21 3ie1 h ILE 321 CO -0.00 0.00 0.03 -0.07 -3.07 0.00 0.00 178.15 175.04 3ie1 h LEU 322 N 0.00 0.23 -1.11 2.19 3.38 -1.69 -0.06 115.31 118.25 3ie1 h LEU 322 Ca 0.14 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3ie1 h LEU 322 Cb 0.58 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3ie1 h LEU 322 CO -0.00 0.43 0.60 0.45 0.09 0.00 0.00 178.44 180.01 3ie1 h HIS 323 N 0.03 1.13 -0.32 1.13 3.86 -1.49 0.93 115.15 120.41 3ie1 h HIS 323 Ca 0.05 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.21 3ie1 h HIS 323 Cb 0.29 -0.38 -0.02 0.00 1.06 0.00 0.00 27.41 28.36 3ie1 h HIS 323 CO 0.02 0.70 -0.13 0.45 0.86 0.00 0.00 177.93 179.83 3ie1 h HIS 324 N 1.21 0.59 -0.02 2.45 3.86 -1.09 -3.02 115.15 119.14 3ie1 h HIS 324 Ca 0.34 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 3ie1 h HIS 324 Cb -0.10 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.21 3ie1 h HIS 324 CO -0.00 0.66 -0.02 -0.07 0.86 0.00 0.00 177.93 179.35 3ie1 h LEU 325 N 0.50 0.05 -0.93 2.43 4.07 0.08 -0.96 115.31 120.54 3ie1 h LEU 325 Ca 0.09 -0.51 0.22 0.00 0.08 0.00 0.00 57.88 57.76 3ie1 h LEU 325 Cb 0.52 -0.01 -0.12 0.00 1.08 0.00 0.00 40.66 42.12 3ie1 h LEU 325 CO 0.03 0.55 0.47 0.50 -1.08 0.00 0.00 178.44 178.92 3ie1 h LYS 326 N -0.46 0.47 -0.02 1.13 3.64 -0.79 0.77 116.57 121.32 3ie1 h LYS 326 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3ie1 h LYS 326 Cb 0.54 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3ie1 h LYS 326 CO 0.00 0.31 -0.12 0.72 -2.27 0.00 0.00 179.45 178.10 3ie1 n HIS 327 N -4.97 0.00 -0.07 1.91 8.25 -1.15 -4.55 115.22 114.64 3ie1 n HIS 327 Ca 0.23 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.60 3ie1 n HIS 327 Cb 0.67 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.70 3ie1 n HIS 327 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ie1 n GLY 328 N 1.33 -0.25 0.34 -1.41 0.00 0.10 -4.59 105.19 100.71 3ie1 n GLY 328 Ca 0.14 -0.11 0.19 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.02 0.99 -0.00 -1.34 -2.97 115.31 111.97 3ie1 h LEU 329 Ca -0.33 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.40 3ie1 h LEU 329 Cb 1.54 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 42.21 3ie1 h LEU 329 CO -0.04 0.00 -0.54 0.77 -0.00 0.00 0.00 178.44 178.62 3ie1 h SER 330 N 0.00 0.51 -3.08 -0.43 4.64 -1.80 0.57 113.55 113.96 3ie1 h SER 330 Ca 0.02 -0.74 -0.54 0.00 -0.47 0.00 0.00 61.79 60.06 3ie1 h SER 330 Cb 0.36 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3ie1 h SER 330 CO -0.00 1.18 0.67 -0.62 -0.87 0.00 0.00 176.83 177.19 3ie1 s ASP 331 N -6.68 6.98 0.00 4.97 3.68 -1.12 -4.00 116.67 120.49 3ie1 s ASP 331 Ca -0.13 2.06 0.24 0.00 2.13 0.00 0.00 52.55 56.85 3ie1 s ASP 331 Cb 0.04 -2.57 1.33 0.00 -1.45 0.00 0.00 42.92 40.26 3ie1 s ASP 331 CO 0.81 -0.58 1.82 -0.81 0.13 0.00 0.00 175.17 176.55 3ie1 n PRO 332 N 4.44 0.52 0.00 4.34 -0.04 -1.26 -2.75 135.00 140.24 3ie1 n PRO 332 Ca 0.11 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 3ie1 n PRO 332 Cb 0.45 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.81 3ie1 n PRO 332 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3ie1 n ARG 333 N -1.17 0.04 -2.53 0.54 1.74 -1.26 -4.47 116.66 109.55 3ie1 n ARG 333 Ca 0.14 -0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 56.96 3ie1 n ARG 333 Cb 0.15 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.12 3ie1 n ARG 333 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3ie1 s ASN 334 N -2.97 5.50 -0.04 0.55 0.01 -1.11 -4.16 114.94 112.72 3ie1 s ASN 334 Ca 0.13 0.50 -0.01 0.00 -0.71 0.00 0.00 52.86 52.77 3ie1 s ASN 334 Cb 0.18 -1.49 0.03 0.00 0.41 0.00 0.00 41.25 40.38 3ie1 s ASN 334 CO 0.63 -1.06 0.03 0.00 -1.51 0.00 0.00 177.10 175.18 3ie1 s ALA 335 N -2.90 0.30 -0.21 0.60 0.00 0.09 -1.60 121.76 118.04 3ie1 s ALA 335 Ca 0.54 0.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.49 3ie1 s ALA 335 Cb -0.10 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.48 3ie1 s ALA 335 CO 0.43 -0.31 0.41 -1.17 0.00 0.00 0.00 175.76 175.12 3ie1 s LEU 336 N 1.64 4.14 -0.15 0.00 0.20 0.20 -0.72 118.68 123.99 3ie1 s LEU 336 Ca -0.01 0.50 0.00 0.00 0.69 0.00 0.00 54.13 55.31 3ie1 s LEU 336 Cb -0.13 -2.52 0.02 0.00 -0.43 0.00 0.00 46.19 43.13 3ie1 s LEU 336 CO -0.03 -0.10 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.11 3ie1 s VAL 337 N 1.46 1.49 0.05 1.68 1.01 -0.13 -0.24 120.40 125.71 3ie1 s VAL 337 Ca 0.19 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 3ie1 s VAL 337 Cb -0.15 -1.43 -0.06 0.00 0.00 0.00 0.00 36.38 34.74 3ie1 s VAL 337 CO 0.08 0.41 0.44 -0.36 0.00 0.00 0.00 175.10 175.67 3ie1 s PHE 338 N 1.51 3.68 -0.16 5.22 0.08 0.35 -4.04 117.98 124.62 3ie1 s PHE 338 Ca 0.04 0.97 0.21 0.00 0.12 0.00 0.00 56.93 58.27 3ie1 s PHE 338 Cb -0.13 -2.28 0.46 0.00 -0.57 0.00 0.00 43.02 40.50 3ie1 s PHE 338 CO -0.10 0.58 1.16 1.33 -0.10 0.00 0.00 175.22 178.08 3ie1 n VAL 339 N 1.42 1.08 -3.55 -0.44 0.24 -1.26 -0.96 118.33 114.86 3ie1 n VAL 339 Ca -0.11 -2.42 -0.07 0.00 -2.04 0.00 0.00 64.34 59.71 3ie1 n VAL 339 Cb 0.52 0.69 -0.02 0.00 -1.47 0.00 0.00 33.84 33.56 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 -3.04 -0.37 0.20 7.63 0.00 -1.26 -4.51 107.32 105.97 3ie1 s GLY 340 Ca 0.34 1.38 -0.31 0.00 0.00 0.00 0.00 44.72 46.13 3ie1 s GLY 340 CO -0.08 0.50 1.48 -0.47 0.00 0.00 0.00 173.10 174.53 3ie1 s TYR 341 N -2.60 3.06 -0.25 1.90 6.14 -1.26 -4.91 117.35 119.43 3ie1 s TYR 341 Ca 0.06 0.86 -0.09 0.00 0.64 0.00 0.00 57.07 58.55 3ie1 s TYR 341 Cb -0.01 -3.85 -0.04 0.00 0.42 0.00 0.00 41.96 38.49 3ie1 s TYR 341 CO -0.06 -2.92 0.11 -0.65 0.64 0.00 0.00 175.55 172.67 3ie1 s GLN 342 N 0.38 3.84 0.86 4.97 -1.52 -1.26 -4.89 119.66 122.04 3ie1 s GLN 342 Ca 0.64 -0.39 -0.12 0.00 -1.95 0.00 0.00 55.36 53.54 3ie1 s GLN 342 Cb -0.42 -3.43 0.10 0.00 -0.22 0.00 0.00 33.01 29.05 3ie1 s GLN 342 CO 0.37 -0.08 1.10 -0.35 -0.25 0.00 0.00 175.29 176.08 3ie1 n PRO 343 N 4.66 -0.12 -2.77 2.91 -0.04 -1.26 -4.83 135.00 133.55 3ie1 n PRO 343 Ca -0.15 0.04 -0.39 0.00 -0.04 0.00 0.00 63.50 62.96 3ie1 n PRO 343 Cb 0.52 -2.35 -0.06 0.00 -0.04 0.00 0.00 33.50 31.56 3ie1 n PRO 343 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3ie1 s GLN 344 N -4.26 4.75 0.00 0.54 0.74 -1.26 -3.72 119.66 116.45 3ie1 s GLN 344 Ca 0.69 1.42 0.00 0.00 0.05 0.00 0.00 55.36 57.52 3ie1 s GLN 344 Cb -0.26 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.75 3ie1 s GLN 344 CO 0.55 0.43 0.00 0.41 -0.55 0.00 0.00 175.29 176.13 3ie1 n GLY 345 N 1.14 0.75 3.81 2.59 0.00 -1.26 -5.06 105.19 107.17 3ie1 n GLY 345 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.86 2.57 0.34 -0.02 0.00 -1.24 -4.97 107.32 102.14 3ie1 s GLY 346 Ca 0.00 -1.22 0.08 0.00 0.00 0.00 0.00 44.72 43.58 3ie1 s GLY 346 CO 0.00 -2.01 1.85 -2.00 0.00 0.00 0.00 173.10 170.94 3ie1 h LEU 347 N 1.12 0.70 -0.01 0.66 5.85 -1.89 -0.63 115.31 121.11 3ie1 h LEU 347 Ca -0.41 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.37 3ie1 h LEU 347 Cb 1.29 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3ie1 h LEU 347 CO 0.66 0.35 -0.02 1.23 -0.34 0.00 0.00 178.44 180.32 3ie1 h GLY 348 N 0.74 -0.01 0.93 3.75 0.00 -1.89 0.19 103.07 106.79 3ie1 h GLY 348 Ca 0.47 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 3ie1 h GLY 348 CO -0.23 -0.02 0.11 0.00 0.00 0.00 0.00 176.54 176.40 3ie1 h ALA 349 N 0.98 0.27 -0.80 3.60 0.00 -1.62 0.59 119.26 122.28 3ie1 h ALA 349 Ca 0.01 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.98 3ie1 h ALA 349 Cb 0.04 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 3ie1 h ALA 349 CO -0.03 -0.18 0.38 1.49 0.00 0.00 0.00 179.25 180.91 3ie1 h GLU 350 N 0.22 0.54 -0.19 0.00 4.81 -0.82 -0.46 114.58 118.68 3ie1 h GLU 350 Ca 0.07 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3ie1 h GLU 350 Cb 0.10 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3ie1 h GLU 350 CO -0.01 0.36 -0.28 0.82 -0.73 0.00 0.00 179.01 179.17 3ie1 h ILE 351 N 0.56 1.34 -0.61 2.32 2.04 0.34 -3.11 117.51 120.40 3ie1 h ILE 351 Ca 0.43 -1.49 0.09 0.00 1.00 0.00 0.00 64.86 64.88 3ie1 h ILE 351 Cb 0.61 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 3ie1 h ILE 351 CO -0.36 0.45 0.40 0.40 0.00 0.00 0.00 178.15 179.04 3ie1 h ILE 352 N 0.18 0.93 0.48 -0.67 2.04 0.99 -0.93 117.51 120.52 3ie1 h ILE 352 Ca 0.02 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.70 3ie1 h ILE 352 Cb 0.86 0.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3ie1 h ILE 352 CO 0.06 0.09 -0.48 0.00 0.00 0.00 0.00 178.15 177.83 3ie1 h ALA 353 N 1.69 -1.13 0.00 1.87 0.00 -1.05 -3.48 119.26 117.16 3ie1 h ALA 353 Ca 0.27 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3ie1 h ALA 353 Cb 0.45 0.71 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3ie1 h ALA 353 CO -0.08 -1.16 0.00 -2.13 0.00 0.00 0.00 179.25 175.88 3ie1 n ARG 354 N -5.32 0.00 -0.46 0.00 3.00 -0.36 -5.11 116.66 108.41 3ie1 n ARG 354 Ca -0.11 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.44 3ie1 n ARG 354 Cb 0.43 0.00 0.28 0.00 0.00 0.00 0.00 32.46 33.17 3ie1 n ARG 354 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3ie1 s PRO 355 N 0.40 -2.28 0.32 -0.14 0.04 -1.26 -4.86 135.00 127.22 3ie1 s PRO 355 Ca 0.00 0.33 0.10 0.00 0.04 0.00 0.00 61.00 61.47 3ie1 s PRO 355 Cb 0.00 -1.44 0.55 0.00 0.04 0.00 0.00 34.50 33.65 3ie1 s PRO 355 CO 0.00 -4.50 1.73 -1.00 0.04 0.00 0.00 177.00 173.28 3ie1 h PRO 356 N -3.15 0.06 -3.62 0.56 0.13 -1.97 -3.43 132.00 120.58 3ie1 h PRO 356 Ca -0.49 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 64.48 3ie1 h PRO 356 Cb 1.34 -0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.29 3ie1 h PRO 356 CO 0.36 0.50 -0.45 0.00 -0.23 0.00 0.00 178.00 178.18 3ie1 s ALA 357 N -4.02 -0.27 0.10 -0.56 0.00 -1.26 -1.30 121.76 114.44 3ie1 s ALA 357 Ca -0.03 -0.33 0.08 0.00 0.00 0.00 0.00 51.96 51.68 3ie1 s ALA 357 Cb 0.14 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.46 3ie1 s ALA 357 CO 0.75 -0.32 -0.20 0.08 0.00 0.00 0.00 175.76 176.07 3ie1 s VAL 358 N -2.35 1.61 -0.21 0.00 1.01 0.15 -4.90 120.40 115.71 3ie1 s VAL 358 Ca -0.07 -1.51 -0.10 0.00 0.00 0.00 0.00 61.98 60.30 3ie1 s VAL 358 Cb -0.02 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 3ie1 s VAL 358 CO -0.03 -0.09 0.14 -0.60 0.00 0.00 0.00 175.10 174.52 3ie1 s ARG 359 N -1.89 4.15 -0.04 2.72 3.52 -1.26 0.12 118.95 126.28 3ie1 s ARG 359 Ca 0.05 -0.23 -0.01 0.00 -0.13 0.00 0.00 55.73 55.41 3ie1 s ARG 359 Cb -0.10 -3.46 0.03 0.00 -1.56 0.00 0.00 34.95 29.86 3ie1 s ARG 359 CO 0.04 0.23 0.03 0.42 -0.81 0.00 0.00 175.30 175.21 3ie1 s ILE 360 N 0.57 0.07 -1.04 4.11 1.01 0.11 -4.93 121.20 121.10 3ie1 s ILE 360 Ca 0.08 0.27 -0.16 0.00 0.00 0.00 0.00 60.65 60.84 3ie1 s ILE 360 Cb -0.12 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.09 3ie1 s ILE 360 CO -0.00 0.18 0.73 0.18 0.00 0.00 0.00 174.94 176.04 3ie1 n LEU 361 N 4.93 -2.79 0.00 2.97 4.32 -1.26 -2.08 117.00 123.09 3ie1 n LEU 361 Ca -0.11 -0.93 0.00 0.00 -0.02 0.00 0.00 56.01 54.95 3ie1 n LEU 361 Cb 0.50 -2.25 0.00 0.00 -1.62 0.00 0.00 43.42 40.05 3ie1 n LEU 361 CO 0.12 0.30 0.00 0.61 -1.22 0.00 0.00 177.39 177.20 3ie1 n GLY 362 N -1.74 0.50 3.17 -0.72 0.00 -1.26 -4.99 105.19 100.15 3ie1 n GLY 362 Ca -0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 3ie1 n GLY 362 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ie1 s GLU 363 N -0.53 1.37 -0.21 1.61 2.56 -0.88 -5.11 118.70 117.51 3ie1 s GLU 363 Ca 0.00 -0.67 -0.23 0.00 0.00 0.00 0.00 54.97 54.07 3ie1 s GLU 363 Cb 0.00 -1.35 -0.02 0.00 2.00 0.00 0.00 34.13 34.77 3ie1 s GLU 363 CO 0.00 0.36 0.73 -2.00 -0.56 0.00 0.00 175.26 173.80 3ie1 s GLU 364 N -0.55 4.21 -0.10 4.30 2.56 -1.26 0.06 118.70 127.92 3ie1 s GLU 364 Ca 0.06 0.80 0.01 0.00 0.00 0.00 0.00 54.97 55.85 3ie1 s GLU 364 Cb -0.07 -3.60 0.02 0.00 2.00 0.00 0.00 34.13 32.47 3ie1 s GLU 364 CO -0.00 -0.36 -0.14 0.54 -0.56 0.00 0.00 175.26 174.74 3ie1 s VAL 365 N 2.29 1.38 0.33 3.70 0.11 0.33 -4.94 120.40 123.60 3ie1 s VAL 365 Ca 0.32 -0.57 -0.28 0.00 -2.93 0.00 0.00 61.98 58.53 3ie1 s VAL 365 Cb -0.16 -1.28 -0.13 0.00 -1.53 0.00 0.00 36.38 33.28 3ie1 s VAL 365 CO 0.10 0.42 1.16 -2.65 -3.33 0.00 0.00 175.10 170.79 3ie1 n PRO 366 N 4.28 1.76 -3.49 1.54 -0.02 -1.26 -0.67 135.00 137.13 3ie1 n PRO 366 Ca -0.19 0.62 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 3ie1 n PRO 366 Cb 0.51 -2.11 -0.06 0.00 -0.02 0.00 0.00 33.50 31.82 3ie1 n PRO 366 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ie1 s LEU 367 N -0.41 6.02 -0.03 2.45 2.96 -0.42 -3.22 118.68 126.03 3ie1 s LEU 367 Ca 0.57 -2.42 0.06 0.00 -0.22 0.00 0.00 54.13 52.12 3ie1 s LEU 367 Cb -0.62 -2.06 -0.09 0.00 0.50 0.00 0.00 46.19 43.92 3ie1 s LEU 367 CO 0.61 -0.59 0.09 0.54 -1.32 0.00 0.00 176.35 175.68 3ie1 n ARG 368 N 4.25 1.25 -1.97 1.98 1.74 0.16 -4.91 116.66 119.15 3ie1 n ARG 368 Ca 0.03 -0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.73 3ie1 n ARG 368 Cb 0.42 -1.15 0.03 0.00 -1.02 0.00 0.00 32.46 30.75 3ie1 n ARG 368 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie1 s ALA 369 N -2.32 2.54 0.48 7.54 0.00 0.87 -4.20 121.76 126.68 3ie1 s ALA 369 Ca -0.02 0.76 -0.21 0.00 0.00 0.00 0.00 51.96 52.48 3ie1 s ALA 369 Cb 0.03 -3.37 -0.08 0.00 0.00 0.00 0.00 23.12 19.70 3ie1 s ALA 369 CO 0.25 -1.10 1.07 -1.54 0.00 0.00 0.00 175.76 174.43 3ie1 s SER 370 N -2.06 6.27 -0.06 0.00 1.04 -0.63 -4.82 113.70 113.44 3ie1 s SER 370 Ca 0.71 2.03 0.05 0.00 0.48 0.00 0.00 55.95 59.22 3ie1 s SER 370 Cb -0.24 -2.57 -0.01 0.00 0.10 0.00 0.00 66.02 63.30 3ie1 s SER 370 CO 0.35 -0.83 -0.23 -0.69 0.98 0.00 0.00 173.24 172.81 3ie1 s VAL 371 N -1.85 1.93 0.03 5.02 1.01 -1.26 0.63 120.40 125.91 3ie1 s VAL 371 Ca 0.67 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.71 3ie1 s VAL 371 Cb -0.20 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 3ie1 s VAL 371 CO 0.24 0.54 -0.14 -1.00 0.00 0.00 0.00 175.10 174.73 3ie1 s HIS 372 N -0.00 1.23 -0.17 5.22 3.76 0.67 -4.95 115.29 121.05 3ie1 s HIS 372 Ca -0.07 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 54.50 3ie1 s HIS 372 Cb -0.14 -0.74 0.04 0.00 1.11 0.00 0.00 32.58 32.85 3ie1 s HIS 372 CO 0.05 0.03 -0.07 0.99 -0.85 0.00 0.00 174.74 174.89 3ie1 s THR 373 N -0.78 1.23 -0.56 1.30 2.01 -1.26 -0.50 115.64 117.09 3ie1 s THR 373 Ca 0.02 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.35 3ie1 s THR 373 Cb -0.07 -1.38 0.14 0.00 0.01 0.00 0.00 72.50 71.20 3ie1 s THR 373 CO 0.01 0.15 0.31 -0.76 -0.69 0.00 0.00 174.62 173.64 3ie1 s LEU 374 N 1.58 4.48 0.00 4.42 1.43 -0.14 -4.88 118.68 125.57 3ie1 s LEU 374 Ca 0.00 -3.10 0.17 0.00 -1.03 0.00 0.00 54.13 50.18 3ie1 s LEU 374 Cb -0.15 -1.67 0.77 0.00 0.03 0.00 0.00 46.19 45.17 3ie1 s LEU 374 CO -0.08 -0.23 1.54 0.61 0.23 0.00 0.00 176.35 178.42 3ie1 n GLY 375 N 3.01 -1.03 0.33 -3.19 0.00 -1.26 -2.95 105.19 100.10 3ie1 n GLY 375 Ca 0.07 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.08 3ie1 n GLY 375 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3ie1 h GLY 376 N 2.93 1.45 -0.58 -0.02 0.00 -1.88 0.45 103.07 105.43 3ie1 h GLY 376 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3ie1 h GLY 376 CO 0.00 0.11 0.00 0.69 0.00 0.00 0.00 176.54 177.34 3ie1 n PHE 377 N -4.71 0.00 -2.06 5.60 3.01 -1.15 -4.80 117.46 113.34 3ie1 n PHE 377 Ca 0.16 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.23 3ie1 n PHE 377 Cb 0.34 -0.02 -0.00 0.00 -0.01 0.00 0.00 39.48 39.78 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 -1.01 6.29 -0.16 4.37 0.15 0.15 -4.81 113.70 118.68 3ie1 s SER 378 Ca 0.00 2.64 0.17 0.00 0.70 0.00 0.00 55.95 59.46 3ie1 s SER 378 Cb 0.00 -2.64 0.76 0.00 -1.71 0.00 0.00 66.02 62.44 3ie1 s SER 378 CO 0.00 -0.86 1.68 0.61 1.20 0.00 0.00 173.24 175.86 3ie1 n GLY 379 N 0.66 2.81 3.27 9.45 0.00 -1.26 -4.58 105.19 115.54 3ie1 n GLY 379 Ca 0.04 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.99 3ie1 n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie1 s ALA 380 N -2.17 1.68 0.14 4.61 0.00 -1.26 -3.65 121.76 121.11 3ie1 s ALA 380 Ca 0.53 -1.36 -0.34 0.00 0.00 0.00 0.00 51.96 50.79 3ie1 s ALA 380 Cb 0.36 -0.11 -0.14 0.00 0.00 0.00 0.00 23.12 23.23 3ie1 s ALA 380 CO 0.22 0.15 1.61 0.00 0.00 0.00 0.00 175.76 177.74 3ie1 n ALA 381 N 0.45 1.30 -1.38 0.00 0.00 -1.01 -4.23 120.51 115.65 3ie1 n ALA 381 Ca -0.15 0.43 -0.29 0.00 0.00 0.00 0.00 53.44 53.43 3ie1 n ALA 381 Cb 0.57 -2.37 0.13 0.00 0.00 0.00 0.00 19.45 17.78 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 1.24 1.61 0.22 0.00 0.00 -1.26 -4.32 107.32 104.80 3ie1 s GLY 382 Ca 0.80 -0.23 -0.08 0.00 0.00 0.00 0.00 44.72 45.21 3ie1 s GLY 382 CO 0.39 0.26 1.74 -1.61 0.00 0.00 0.00 173.10 173.89 3ie1 h GLN 383 N -1.43 0.43 -0.64 2.90 4.15 -0.83 -0.26 115.11 119.44 3ie1 h GLN 383 Ca -0.49 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 58.92 3ie1 h GLN 383 Cb 1.29 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.85 3ie1 h GLN 383 CO 0.58 0.28 0.41 0.38 -1.93 0.00 0.00 178.83 178.55 3ie1 h ASP 384 N 0.44 0.70 -0.31 -0.69 -0.00 -1.89 -0.45 116.42 114.22 3ie1 h ASP 384 Ca 0.34 -0.01 -0.08 0.00 -0.00 0.00 0.00 57.03 57.28 3ie1 h ASP 384 Cb 0.44 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.33 39.59 3ie1 h ASP 384 CO -0.33 0.50 -0.08 -0.33 -0.00 0.00 0.00 179.24 179.00 3ie1 h GLU 385 N 0.83 0.72 -0.13 4.15 5.08 -1.69 -0.66 114.58 122.87 3ie1 h GLU 385 Ca 0.24 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 3ie1 h GLU 385 Cb -0.05 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3ie1 h GLU 385 CO -0.07 0.78 0.02 1.25 -1.00 0.00 0.00 179.01 179.99 3ie1 h LEU 386 N 0.66 0.21 0.85 1.33 5.85 -0.52 -1.26 115.31 122.42 3ie1 h LEU 386 Ca 0.12 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 3ie1 h LEU 386 Cb 0.52 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.51 3ie1 h LEU 386 CO 0.03 0.41 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.06 3ie1 h LEU 387 N -0.01 -0.96 -0.87 2.25 3.38 -0.91 -1.66 115.31 116.53 3ie1 h LEU 387 Ca 0.04 0.03 0.23 0.00 0.09 0.00 0.00 57.88 58.27 3ie1 h LEU 387 Cb 0.29 0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.14 3ie1 h LEU 387 CO 0.00 -0.67 0.13 0.44 0.09 0.00 0.00 178.44 178.43 3ie1 h ASP 388 N -1.17 -0.20 -0.29 -0.43 3.45 -1.09 0.43 116.42 117.12 3ie1 h ASP 388 Ca -0.12 0.22 -0.10 0.00 0.43 0.00 0.00 57.03 57.47 3ie1 h ASP 388 Cb 0.88 0.34 -0.02 0.00 -0.56 0.00 0.00 39.33 39.97 3ie1 h ASP 388 CO 0.19 -0.21 -0.14 -0.25 -1.57 0.00 0.00 179.24 177.26 3ie1 h TRP 389 N 0.13 0.80 0.00 4.55 7.01 -1.06 -2.66 115.95 124.72 3ie1 h TRP 389 Ca 0.53 -0.15 0.00 0.00 2.11 0.00 0.00 58.89 61.38 3ie1 h TRP 389 Cb 1.06 -0.20 0.00 0.00 -2.10 0.00 0.00 29.16 27.91 3ie1 h TRP 389 CO -0.36 0.83 -0.05 1.28 -2.79 0.00 0.00 178.44 177.35 3ie1 n LEU 390 N -4.15 0.27 -4.57 0.65 4.32 0.80 -4.62 117.00 109.70 3ie1 n LEU 390 Ca 0.01 0.48 -0.55 0.00 -0.02 0.00 0.00 56.01 55.93 3ie1 n LEU 390 Cb 0.38 -0.43 -0.07 0.00 -1.62 0.00 0.00 43.42 41.68 3ie1 n LEU 390 CO 0.43 -0.04 0.81 1.67 -1.22 0.00 0.00 177.39 179.03 3ie1 n GLN 391 N -1.72 0.74 0.00 3.23 0.00 0.11 -1.37 117.38 118.37 3ie1 n GLN 391 Ca 0.06 0.27 0.00 0.00 -0.00 0.00 0.00 57.00 57.33 3ie1 n GLN 391 Cb 0.37 -1.86 0.00 0.00 0.00 0.00 0.00 30.24 28.75 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 2.25 3.16 3.72 1.69 0.00 -1.26 -5.02 105.19 109.73 3ie1 n GLY 392 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.37 4.51 0.21 1.61 0.41 -0.47 -4.96 118.70 119.63 3ie1 s GLU 393 Ca 0.00 1.70 0.01 0.00 -0.41 0.00 0.00 54.97 56.27 3ie1 s GLU 393 Cb 0.00 -3.34 0.16 0.00 -1.78 0.00 0.00 34.13 29.17 3ie1 s GLU 393 CO 0.00 -0.11 1.51 -1.00 -0.49 0.00 0.00 175.26 175.17 3ie1 h PRO 394 N 6.21 0.38 -4.29 0.39 0.13 -1.90 -3.44 132.00 129.49 3ie1 h PRO 394 Ca -0.42 -0.26 -0.49 0.00 -0.87 0.00 0.00 66.00 63.95 3ie1 h PRO 394 Cb 1.21 0.04 -0.35 0.00 0.13 0.00 0.00 31.00 32.03 3ie1 h PRO 394 CO 0.77 0.87 -0.80 1.03 -0.23 0.00 0.00 178.00 179.65 3ie1 s ARG 395 N -3.80 1.40 -0.11 0.86 0.52 -1.26 -1.09 118.95 115.47 3ie1 s ARG 395 Ca -0.05 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 54.88 3ie1 s ARG 395 Cb 0.11 -1.32 0.03 0.00 0.52 0.00 0.00 34.95 34.30 3ie1 s ARG 395 CO 0.82 -0.11 -0.02 0.08 0.02 0.00 0.00 175.30 176.09 3ie1 s VAL 396 N 1.13 0.68 -0.45 3.52 1.01 -0.04 -0.43 120.40 125.82 3ie1 s VAL 396 Ca -0.06 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.58 3ie1 s VAL 396 Cb -0.14 -0.86 0.07 0.00 0.00 0.00 0.00 36.38 35.45 3ie1 s VAL 396 CO -0.01 0.20 0.35 -0.69 0.00 0.00 0.00 175.10 174.95 3ie1 s VAL 397 N 1.84 4.98 0.60 2.92 1.01 -0.74 -1.29 120.40 129.71 3ie1 s VAL 397 Ca 0.03 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.73 3ie1 s VAL 397 Cb -0.13 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3ie1 s VAL 397 CO -0.07 -0.53 1.18 -0.76 0.00 0.00 0.00 175.10 174.92 3ie1 s LEU 398 N 1.59 3.64 0.00 3.92 1.02 0.17 -2.75 118.68 126.27 3ie1 s LEU 398 Ca 0.04 2.30 -0.03 0.00 0.02 0.00 0.00 54.13 56.46 3ie1 s LEU 398 Cb -0.23 -4.59 0.01 0.00 0.02 0.00 0.00 46.19 41.40 3ie1 s LEU 398 CO 0.06 -1.55 0.14 1.33 0.02 0.00 0.00 176.35 176.35 3ie1 n VAL 399 N -1.66 0.00 -4.02 -1.59 0.24 -0.30 -2.34 118.33 108.65 3ie1 n VAL 399 Ca 0.13 -0.17 -0.42 0.00 -2.04 0.00 0.00 64.34 61.84 3ie1 n VAL 399 Cb 0.50 0.17 0.02 0.00 -1.47 0.00 0.00 33.84 33.06 3ie1 n VAL 399 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3ie1 n HIS 400 N -0.10 -1.49 -3.58 6.34 -0.00 0.02 -1.50 115.22 114.90 3ie1 n HIS 400 Ca -0.01 0.22 0.02 0.00 -0.00 0.00 0.00 57.72 57.95 3ie1 n HIS 400 Cb 0.10 -2.70 -0.01 0.00 -0.00 0.00 0.00 29.99 27.39 3ie1 n HIS 400 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 3ie1 s GLY 401 N -3.42 -0.43 -0.13 1.57 0.00 0.16 -1.48 107.32 103.59 3ie1 s GLY 401 Ca 0.38 1.06 -0.23 0.00 0.00 0.00 0.00 44.72 45.93 3ie1 s GLY 401 CO 0.95 0.25 0.69 -0.54 0.00 0.00 0.00 173.10 174.44 3ie1 s GLU 402 N -2.14 4.34 0.06 2.90 2.02 -1.26 -2.12 118.70 122.50 3ie1 s GLU 402 Ca 0.14 0.80 -0.06 0.00 0.02 0.00 0.00 54.97 55.87 3ie1 s GLU 402 Cb 0.05 -3.51 0.05 0.00 0.10 0.00 0.00 34.13 30.83 3ie1 s GLU 402 CO -0.05 -0.09 0.43 0.39 0.02 0.00 0.00 175.26 175.95 3ie1 n GLU 403 N 4.42 -0.08 -0.18 1.61 1.02 -1.17 0.28 120.64 126.54 3ie1 n GLU 403 Ca -0.01 0.43 -0.01 0.00 -0.02 0.00 0.00 57.16 57.55 3ie1 n GLU 403 Cb 0.50 -0.63 0.09 0.00 -0.02 0.00 0.00 31.44 31.38 3ie1 n GLU 403 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3ie1 h GLU 404 N 0.00 0.31 -0.24 3.49 3.07 -1.92 -0.30 114.58 118.98 3ie1 h GLU 404 Ca 0.09 -0.02 -0.18 0.00 -0.50 0.00 0.00 59.36 58.75 3ie1 h GLU 404 Cb 0.16 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 3ie1 h GLU 404 CO -0.27 0.20 -0.55 0.87 -1.40 0.00 0.00 179.01 177.86 3ie1 h LYS 405 N 0.32 0.81 -0.55 2.33 1.57 0.37 -1.94 116.57 119.47 3ie1 h LYS 405 Ca 0.28 -0.54 -0.04 0.00 -1.87 0.00 0.00 60.65 58.48 3ie1 h LYS 405 Cb 0.37 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 3ie1 h LYS 405 CO -0.33 1.17 0.16 -0.07 -0.57 0.00 0.00 179.45 179.81 3ie1 h LEU 406 N 0.56 0.76 -0.64 2.94 4.07 -0.75 -2.20 115.31 120.05 3ie1 h LEU 406 Ca -0.00 -0.12 -0.14 0.00 0.08 0.00 0.00 57.88 57.70 3ie1 h LEU 406 Cb 1.17 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.70 3ie1 h LEU 406 CO 0.12 0.73 -0.44 -0.07 -1.08 0.00 0.00 178.44 177.70 3ie1 h LEU 407 N 0.80 0.59 -0.99 1.67 4.07 -1.06 0.36 115.31 120.75 3ie1 h LEU 407 Ca 0.18 -0.28 -0.02 0.00 0.08 0.00 0.00 57.88 57.84 3ie1 h LEU 407 Cb 0.26 -0.17 -0.04 0.00 1.08 0.00 0.00 40.66 41.79 3ie1 h LEU 407 CO -0.01 0.95 0.41 0.00 -1.08 0.00 0.00 178.44 178.72 3ie1 h ALA 408 N 1.07 1.22 0.12 1.53 0.00 -0.85 0.25 119.26 122.61 3ie1 h ALA 408 Ca 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3ie1 h ALA 408 Cb 0.95 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3ie1 h ALA 408 CO 0.08 0.61 -0.06 1.25 0.00 0.00 0.00 179.25 181.14 3ie1 h LEU 409 N 1.12 -0.14 -1.68 0.00 6.46 -1.14 -3.23 115.31 116.70 3ie1 h LEU 409 Ca 0.28 -0.42 0.24 0.00 -0.12 0.00 0.00 57.88 57.86 3ie1 h LEU 409 Cb 0.07 0.04 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 3ie1 h LEU 409 CO -0.04 0.44 0.63 1.23 -0.62 0.00 0.00 178.44 180.08 3ie1 h GLY 410 N -0.82 0.58 0.72 3.75 0.00 -0.05 -0.85 103.07 106.40 3ie1 h GLY 410 Ca -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 3ie1 h GLY 410 CO 0.03 -0.02 -0.35 1.70 0.00 0.00 0.00 176.54 177.90 3ie1 h LYS 411 N 0.24 -0.75 -0.61 4.80 3.64 -0.52 -0.80 116.57 122.57 3ie1 h LYS 411 Ca 0.48 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.92 3ie1 h LYS 411 Cb 1.46 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 33.42 3ie1 h LYS 411 CO -0.13 -0.50 0.40 -0.07 -2.27 0.00 0.00 179.45 176.89 3ie1 h LEU 412 N -0.77 0.70 -0.04 5.20 3.38 -1.25 -0.03 115.31 122.49 3ie1 h LEU 412 Ca -0.04 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3ie1 h LEU 412 Cb 0.67 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3ie1 h LEU 412 CO -0.01 0.50 -0.05 -0.07 0.09 0.00 0.00 178.44 178.90 3ie1 h LEU 413 N 0.82 -0.15 0.02 1.67 3.38 -1.09 0.18 115.31 120.15 3ie1 h LEU 413 Ca 0.22 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.25 3ie1 h LEU 413 Cb -0.09 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3ie1 h LEU 413 CO -0.05 -0.07 -0.18 0.00 0.09 0.00 0.00 178.44 178.23 3ie1 h ALA 414 N 0.97 -0.24 -0.32 1.53 0.00 -0.92 0.15 119.26 120.43 3ie1 h ALA 414 Ca 0.04 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.04 3ie1 h ALA 414 Cb 0.12 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3ie1 h ALA 414 CO -0.08 -0.68 0.31 -0.07 0.00 0.00 0.00 179.25 178.72 3ie1 h LEU 415 N -0.31 0.00 -0.50 0.00 3.38 -0.56 0.38 115.31 117.70 3ie1 h LEU 415 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3ie1 h LEU 415 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ie1 h LEU 415 CO -0.16 0.00 -0.01 -1.14 0.09 0.00 0.00 178.44 177.22 3ie1 n ARG 416 N -3.94 1.30 -0.02 1.13 0.63 0.58 -4.88 116.66 111.46 3ie1 n ARG 416 Ca 0.05 -0.50 0.00 0.00 -0.92 0.00 0.00 57.85 56.48 3ie1 n ARG 416 Cb 0.47 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.89 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 1.11 0.55 3.73 5.14 0.00 0.13 -5.05 105.19 110.81 3ie1 n GLY 417 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.82 4.62 -0.50 1.61 -0.21 -0.13 -4.95 119.66 119.28 3ie1 s GLN 418 Ca 0.00 1.54 -0.28 0.00 0.02 0.00 0.00 55.36 56.64 3ie1 s GLN 418 Cb 0.00 -3.37 0.02 0.00 1.00 0.00 0.00 33.01 30.66 3ie1 s GLN 418 CO 0.00 0.08 1.29 -2.00 -2.12 0.00 0.00 175.29 172.54 3ie1 s GLU 419 N 0.23 3.53 0.09 2.91 2.12 -0.25 -3.19 118.70 124.14 3ie1 s GLU 419 Ca 0.50 0.57 0.09 0.00 0.36 0.00 0.00 54.97 56.49 3ie1 s GLU 419 Cb -0.25 -4.02 -0.04 0.00 0.26 0.00 0.00 34.13 30.09 3ie1 s GLU 419 CO 0.31 -1.63 -0.22 0.54 -0.54 0.00 0.00 175.26 173.71 3ie1 s VAL 420 N 5.22 2.53 0.13 3.70 0.11 -1.26 -0.86 120.40 129.97 3ie1 s VAL 420 Ca 0.52 -1.48 -0.17 0.00 -2.93 0.00 0.00 61.98 57.92 3ie1 s VAL 420 Cb -0.10 -2.09 0.04 0.00 -1.53 0.00 0.00 36.38 32.70 3ie1 s VAL 420 CO 0.29 0.21 0.43 -0.94 -3.33 0.00 0.00 175.10 171.76 3ie1 s SER 421 N -1.77 -0.29 -0.16 3.54 1.04 -0.41 -4.98 113.70 110.67 3ie1 s SER 421 Ca 0.15 -0.27 -0.08 0.00 0.48 0.00 0.00 55.95 56.23 3ie1 s SER 421 Cb -0.10 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 3ie1 s SER 421 CO 0.06 -0.87 0.11 -0.76 0.98 0.00 0.00 173.24 172.75 3ie1 s LEU 422 N -2.80 4.13 0.63 2.42 1.02 -1.26 0.43 118.68 123.25 3ie1 s LEU 422 Ca 0.03 0.27 -0.16 0.00 0.02 0.00 0.00 54.13 54.29 3ie1 s LEU 422 Cb 0.01 -2.03 -0.02 0.00 0.02 0.00 0.00 46.19 44.18 3ie1 s LEU 422 CO -0.12 0.28 1.11 0.00 0.02 0.00 0.00 176.35 177.63 3ie1 s ALA 423 N -0.23 2.55 -0.07 4.21 0.00 -0.99 -4.92 121.76 122.32 3ie1 s ALA 423 Ca 0.10 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.65 3ie1 s ALA 423 Cb -0.12 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.71 3ie1 s ALA 423 CO 0.01 -1.11 -0.10 1.03 0.00 0.00 0.00 175.76 175.59 3ie1 s ARG 424 N -3.93 1.48 0.17 0.00 0.52 -1.26 -4.26 118.95 111.67 3ie1 s ARG 424 Ca 0.68 -0.32 -0.24 0.00 -0.52 0.00 0.00 55.73 55.33 3ie1 s ARG 424 Cb -0.20 -1.30 -0.14 0.00 0.52 0.00 0.00 34.95 33.82 3ie1 s ARG 424 CO 0.38 -0.04 0.44 0.34 0.02 0.00 0.00 175.30 176.44 3ie1 n PHE 425 N 4.03 -0.41 0.00 -0.53 7.35 -1.26 -0.40 117.46 126.24 3ie1 n PHE 425 Ca -0.22 0.82 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 3ie1 n PHE 425 Cb 0.51 -1.66 0.00 0.00 0.35 0.00 0.00 39.48 38.68 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 1.69 0.00 3.55 7.13 0.00 0.23 -4.85 105.19 112.95 3ie1 n GLY 426 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 2.97 0.77 1.61 2.02 0.47 -4.81 118.70 121.73 3ie1 s GLU 427 Ca 0.00 -0.12 -0.15 0.00 0.02 0.00 0.00 54.97 54.72 3ie1 s GLU 427 Cb 0.00 -4.60 0.04 0.00 0.10 0.00 0.00 34.13 29.68 3ie1 s GLU 427 CO 0.00 -2.56 1.06 0.41 0.02 0.00 0.00 175.26 174.20 3ie1 n GLY 428 N 5.99 -0.27 3.04 -1.39 0.00 -1.26 -4.38 105.19 106.91 3ie1 n GLY 428 Ca 0.20 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.97 1.00 0.11 1.61 1.01 0.74 -4.96 120.40 117.94 3ie1 s VAL 429 Ca 0.73 -0.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 3ie1 s VAL 429 Cb -0.31 -0.89 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 3ie1 s VAL 429 CO 0.51 0.31 0.85 -2.16 0.00 0.00 0.00 175.10 174.61 3ie1 s PRO 430 N 0.26 4.61 0.00 2.72 0.04 -1.26 0.35 135.00 141.73 3ie1 s PRO 430 Ca -0.06 1.25 0.29 0.00 0.04 0.00 0.00 61.00 62.53 3ie1 s PRO 430 Cb -0.11 -3.34 1.30 0.00 0.04 0.00 0.00 34.50 32.39 3ie1 s PRO 430 CO 0.01 0.34 1.88 0.28 0.04 0.00 0.00 177.00 179.56