#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ie0 s ARG 2 N 0.00 0.87 -0.18 2.12 0.52 -0.20 -0.47 118.95 121.61 3ie0 s ARG 2 Ca 0.00 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.38 3ie0 s ARG 2 Cb 0.00 -0.88 0.02 0.00 0.52 0.00 0.00 34.95 34.61 3ie0 s ARG 2 CO 0.00 0.21 -0.18 -1.50 0.02 0.00 0.00 175.30 173.84 3ie0 s ILE 3 N -1.04 2.00 -0.40 1.52 1.10 -0.01 -0.66 121.20 123.70 3ie0 s ILE 3 Ca -0.00 -0.96 -0.08 0.00 -0.51 0.00 0.00 60.65 59.09 3ie0 s ILE 3 Cb -0.09 -1.84 0.07 0.00 0.15 0.00 0.00 42.46 40.75 3ie0 s ILE 3 CO 0.02 0.48 0.23 -0.69 -2.11 0.00 0.00 174.94 172.86 3ie0 s VAL 4 N 1.30 4.11 0.25 4.00 1.01 0.11 -0.41 120.40 130.77 3ie0 s VAL 4 Ca 0.04 -1.38 -0.31 0.00 0.00 0.00 0.00 61.98 60.33 3ie0 s VAL 4 Cb -0.14 -3.49 -0.13 0.00 0.00 0.00 0.00 36.38 32.62 3ie0 s VAL 4 CO -0.12 -0.45 1.37 -2.65 0.00 0.00 0.00 175.10 173.25 3ie0 n PRO 5 N 4.88 1.98 -0.27 2.72 -0.02 -1.26 -1.75 135.00 141.27 3ie0 n PRO 5 Ca -0.10 0.70 0.02 0.00 -2.02 0.00 0.00 63.50 62.10 3ie0 n PRO 5 Cb 0.43 -2.34 0.03 0.00 -0.02 0.00 0.00 33.50 31.60 3ie0 n PRO 5 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ie0 n PHE 6 N 1.68 0.00 0.00 6.00 3.72 0.10 -1.69 117.46 127.27 3ie0 n PHE 6 Ca 0.11 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 3ie0 n PHE 6 Cb 0.32 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 3ie0 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3ie0 n GLY 7 N -0.33 0.68 2.95 1.37 0.00 -1.11 -4.69 105.19 104.06 3ie0 n GLY 7 Ca 0.03 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 3ie0 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie0 n ALA 8 N -0.20 -0.93 -2.49 4.61 0.00 -0.98 -4.36 120.51 116.16 3ie0 n ALA 8 Ca 0.00 0.24 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 3ie0 n ALA 8 Cb 0.00 -3.41 -0.09 0.00 0.00 0.00 0.00 19.45 15.95 3ie0 n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ie0 s ALA 9 N -3.10 3.46 -1.68 0.00 0.00 -1.26 -0.23 121.76 118.94 3ie0 s ALA 9 Ca 0.26 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.71 3ie0 s ALA 9 Cb -0.12 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.07 3ie0 s ALA 9 CO 0.32 -1.41 0.00 0.54 0.00 0.00 0.00 175.76 175.21 3ie0 n ARG 10 N 5.39 -1.76 -3.69 0.00 3.00 -1.26 -4.89 116.66 113.46 3ie0 n ARG 10 Ca -0.09 0.95 -0.09 0.00 -0.01 0.00 0.00 57.85 58.61 3ie0 n ARG 10 Cb 0.48 -5.58 -0.02 0.00 0.00 0.00 0.00 32.46 27.34 3ie0 n ARG 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.63 175.80 3ie0 s GLU 11 N -4.91 1.54 -0.13 5.56 -1.05 -0.68 -3.90 118.70 115.13 3ie0 s GLU 11 Ca 0.00 -0.76 0.09 0.00 -0.15 0.00 0.00 54.97 54.15 3ie0 s GLU 11 Cb 0.00 0.58 -0.23 0.00 -0.44 0.00 0.00 34.13 34.04 3ie0 s GLU 11 CO 0.00 -0.69 0.34 1.33 0.95 0.00 0.00 175.26 177.19 3ie0 n VAL 12 N -0.42 1.58 -2.37 1.83 0.24 -1.26 -1.38 118.33 116.54 3ie0 n VAL 12 Ca -0.09 -0.76 -0.24 0.00 -2.04 0.00 0.00 64.34 61.22 3ie0 n VAL 12 Cb 0.61 -1.08 0.06 0.00 -1.47 0.00 0.00 33.84 31.96 3ie0 n VAL 12 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3ie0 s THR 13 N -2.55 2.41 0.00 3.34 -4.23 -1.26 -4.49 115.64 108.86 3ie0 s THR 13 Ca -0.13 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 3ie0 s THR 13 Cb 0.07 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3ie0 s THR 13 CO 0.79 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.48 3ie0 n GLY 14 N -2.71 2.04 0.53 3.99 0.00 0.60 -2.31 105.19 107.33 3ie0 n GLY 14 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 3ie0 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ie0 n SER 15 N 0.00 0.15 -3.23 1.61 7.64 -1.19 -4.21 113.62 114.39 3ie0 n SER 15 Ca 0.00 0.14 0.04 0.00 1.01 0.00 0.00 58.87 60.06 3ie0 n SER 15 Cb 0.00 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.03 3ie0 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ie0 s ALA 16 N 0.69 -3.23 -0.10 -0.43 0.00 -1.26 -0.28 121.76 117.15 3ie0 s ALA 16 Ca 0.17 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.84 3ie0 s ALA 16 Cb -0.23 -2.32 0.02 0.00 0.00 0.00 0.00 23.12 20.59 3ie0 s ALA 16 CO 0.11 -1.17 -0.08 -1.01 0.00 0.00 0.00 175.76 173.62 3ie0 s HIS 17 N 2.53 1.37 -0.18 0.00 0.09 0.28 0.01 115.29 119.39 3ie0 s HIS 17 Ca -0.02 -0.63 -0.23 0.00 -0.00 0.00 0.00 55.06 54.18 3ie0 s HIS 17 Cb -0.06 -1.14 -0.02 0.00 -0.00 0.00 0.00 32.58 31.36 3ie0 s HIS 17 CO -0.14 -0.44 0.73 -1.17 -0.00 0.00 0.00 174.74 173.71 3ie0 s LEU 18 N 1.52 4.17 -0.26 0.89 2.96 -0.72 -0.28 118.68 126.95 3ie0 s LEU 18 Ca 0.01 1.01 -0.10 0.00 -0.22 0.00 0.00 54.13 54.84 3ie0 s LEU 18 Cb -0.13 -3.06 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 3ie0 s LEU 18 CO -0.06 -0.32 0.14 -0.22 -1.32 0.00 0.00 176.35 174.57 3ie0 s LEU 19 N 1.96 3.84 -0.27 -0.68 2.96 0.61 0.10 118.68 127.19 3ie0 s LEU 19 Ca 0.34 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 54.14 3ie0 s LEU 19 Cb -0.16 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.49 3ie0 s LEU 19 CO 0.12 -0.02 0.02 -0.76 -1.32 0.00 0.00 176.35 174.39 3ie0 s LEU 20 N 1.57 3.53 -0.07 -0.68 1.43 0.16 -0.56 118.68 124.04 3ie0 s LEU 20 Ca 0.07 -0.72 -0.32 0.00 -1.03 0.00 0.00 54.13 52.13 3ie0 s LEU 20 Cb -0.15 -1.80 0.13 0.00 0.03 0.00 0.00 46.19 44.40 3ie0 s LEU 20 CO 0.07 -0.15 1.27 0.00 0.23 0.00 0.00 176.35 177.77 3ie0 s ALA 21 N 1.44 -2.19 -0.43 4.21 0.00 -0.82 -1.04 121.76 122.93 3ie0 s ALA 21 Ca 0.02 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.97 3ie0 s ALA 21 Cb -0.17 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3ie0 s ALA 21 CO -0.00 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.26 3ie0 n GLY 22 N -0.36 0.39 2.03 0.00 0.00 -1.26 0.12 105.19 106.10 3ie0 n GLY 22 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 3ie0 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie0 n GLY 23 N 0.29 0.36 3.29 -0.02 0.00 -1.26 -4.09 105.19 103.76 3ie0 n GLY 23 Ca -0.04 -0.88 -0.15 0.00 0.00 0.00 0.00 46.02 44.94 3ie0 n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie0 s ARG 24 N -3.55 1.24 -0.32 1.61 1.81 0.32 -5.05 118.95 115.02 3ie0 s ARG 24 Ca 0.00 -1.62 0.01 0.00 -1.72 0.00 0.00 55.73 52.40 3ie0 s ARG 24 Cb 0.00 -0.41 0.10 0.00 -0.45 0.00 0.00 34.95 34.19 3ie0 s ARG 24 CO 0.00 -0.13 0.08 1.03 -0.68 0.00 0.00 175.30 175.59 3ie0 s ARG 25 N -3.91 0.98 -0.26 3.54 0.52 -1.26 -1.94 118.95 116.62 3ie0 s ARG 25 Ca 0.27 -1.33 -0.09 0.00 -0.52 0.00 0.00 55.73 54.06 3ie0 s ARG 25 Cb 0.06 -2.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.09 3ie0 s ARG 25 CO 0.07 -0.96 0.14 0.08 0.02 0.00 0.00 175.30 174.65 3ie0 s VAL 26 N 1.38 4.93 -0.22 3.52 1.01 0.27 -0.21 120.40 131.09 3ie0 s VAL 26 Ca 0.10 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.91 3ie0 s VAL 26 Cb -0.18 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 3ie0 s VAL 26 CO -0.19 0.30 0.61 -0.22 0.00 0.00 0.00 175.10 175.60 3ie0 s LEU 27 N 1.61 4.11 -0.47 3.92 0.20 0.18 -0.29 118.68 127.94 3ie0 s LEU 27 Ca 0.07 0.76 -0.17 0.00 0.69 0.00 0.00 54.13 55.48 3ie0 s LEU 27 Cb -0.15 -2.85 0.06 0.00 -0.43 0.00 0.00 46.19 42.82 3ie0 s LEU 27 CO 0.08 -0.30 0.45 -0.76 -0.29 0.00 0.00 176.35 175.53 3ie0 s LEU 28 N 2.10 5.36 0.46 -0.68 1.02 0.61 0.24 118.68 127.78 3ie0 s LEU 28 Ca 0.27 -1.14 0.00 0.00 0.02 0.00 0.00 54.13 53.28 3ie0 s LEU 28 Cb -0.16 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.79 3ie0 s LEU 28 CO 0.10 -0.69 0.00 0.47 0.02 0.00 0.00 176.35 176.25 3ie0 n ASP 29 N 5.48 -6.05 -2.90 2.29 8.00 0.15 -0.56 116.55 122.95 3ie0 n ASP 29 Ca -0.10 1.23 -0.12 0.00 0.71 0.00 0.00 54.79 56.50 3ie0 n ASP 29 Cb 0.45 -3.64 0.04 0.00 -0.02 0.00 0.00 41.12 37.95 3ie0 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ie0 s GLY 31 N -1.70 1.47 0.70 0.00 0.00 0.61 -0.06 107.32 108.34 3ie0 s GLY 31 Ca 0.29 -0.62 -0.07 0.00 0.00 0.00 0.00 44.72 44.32 3ie0 s GLY 31 CO -0.06 -0.47 1.01 -3.16 0.00 0.00 0.00 173.10 170.41 3ie0 s MET 32 N -4.67 2.26 0.05 2.90 0.23 -1.05 -4.23 119.30 114.79 3ie0 s MET 32 Ca 0.46 -0.23 -0.06 0.00 -1.03 0.00 0.00 55.69 54.83 3ie0 s MET 32 Cb -0.10 -2.17 -0.05 0.00 -1.53 0.00 0.00 34.83 30.97 3ie0 s MET 32 CO 0.43 -1.20 0.31 -0.06 -2.03 0.00 0.00 175.02 172.47 3ie0 s PHE 33 N -3.23 3.55 0.15 3.16 0.08 -1.26 -0.29 117.98 120.14 3ie0 s PHE 33 Ca 0.60 0.59 0.04 0.00 0.12 0.00 0.00 56.93 58.28 3ie0 s PHE 33 Cb -0.11 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.29 3ie0 s PHE 33 CO 0.45 0.56 -0.10 -0.65 -0.10 0.00 0.00 175.22 175.38 3ie0 s GLN 34 N -2.02 1.07 7.78 0.44 -0.21 -1.26 -4.10 119.66 121.37 3ie0 s GLN 34 Ca 0.32 -1.46 0.00 0.00 0.02 0.00 0.00 55.36 54.24 3ie0 s GLN 34 Cb -0.13 -0.62 0.00 0.00 1.00 0.00 0.00 33.01 33.25 3ie0 s GLN 34 CO 0.19 0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.84 3ie0 n GLY 35 N -0.21 2.16 0.19 3.09 0.00 -1.26 -3.40 105.19 105.76 3ie0 n GLY 35 Ca -0.10 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 3ie0 n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie0 h LYS 36 N 0.00 0.56 0.00 1.61 1.57 -2.07 -3.11 116.57 115.13 3ie0 h LYS 36 Ca 0.00 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3ie0 h LYS 36 Cb 0.00 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3ie0 h LYS 36 CO 0.00 1.11 0.00 0.39 -0.57 0.00 0.00 179.45 180.38 3ie0 n GLU 37 N -3.85 0.09 -0.44 3.15 -0.58 -1.22 -4.07 120.64 113.73 3ie0 n GLU 37 Ca -0.06 0.10 0.38 0.00 -0.42 0.00 0.00 57.16 57.16 3ie0 n GLU 37 Cb 0.76 -1.50 0.65 0.00 -0.57 0.00 0.00 31.44 30.78 3ie0 n GLU 37 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 3ie0 n GLU 38 N -1.44 -0.04 0.00 3.49 2.13 -1.17 0.34 120.64 123.95 3ie0 n GLU 38 Ca 0.07 1.25 0.06 0.00 0.66 0.00 0.00 57.16 59.21 3ie0 n GLU 38 Cb 0.24 -2.43 0.31 0.00 0.27 0.00 0.00 31.44 29.83 3ie0 n GLU 38 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3ie0 n ALA 39 N -2.48 1.70 1.71 4.31 0.00 -1.26 -2.38 120.51 122.11 3ie0 n ALA 39 Ca 0.39 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.90 3ie0 n ALA 39 Cb 1.49 -1.21 0.60 0.00 0.00 0.00 0.00 19.45 20.32 3ie0 n ALA 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ie0 n ARG 40 N -1.37 1.31 0.04 0.00 1.74 0.15 -3.15 116.66 115.38 3ie0 n ARG 40 Ca 0.05 -0.46 0.13 0.00 -0.77 0.00 0.00 57.85 56.81 3ie0 n ARG 40 Cb 0.13 -1.40 0.46 0.00 -1.02 0.00 0.00 32.46 30.63 3ie0 n ARG 40 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3ie0 n ASN 41 N -0.38 0.41 0.05 0.55 5.03 -1.00 -3.11 115.26 116.81 3ie0 n ASN 41 Ca 0.18 0.42 0.05 0.00 0.87 0.00 0.00 54.58 56.10 3ie0 n ASN 41 Cb 0.20 -0.47 -0.07 0.00 -1.02 0.00 0.00 39.78 38.42 3ie0 n ASN 41 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3ie0 n HIS 42 N -1.83 0.80 -1.44 3.10 8.25 -1.19 -4.91 115.22 118.00 3ie0 n HIS 42 Ca 0.06 0.25 -0.29 0.00 -0.26 0.00 0.00 57.72 57.47 3ie0 n HIS 42 Cb 0.38 -0.96 0.19 0.00 1.12 0.00 0.00 29.99 30.72 3ie0 n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ie0 s ALA 43 N -3.15 1.39 0.44 -1.41 0.00 -1.18 -5.03 121.76 112.83 3ie0 s ALA 43 Ca -0.03 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.98 3ie0 s ALA 43 Cb 0.10 -2.92 -0.07 0.00 0.00 0.00 0.00 23.12 20.22 3ie0 s ALA 43 CO 0.82 -2.84 0.84 -1.25 0.00 0.00 0.00 175.76 173.33 3ie0 s PRO 44 N -5.45 3.82 0.33 0.00 0.04 -1.26 -4.97 135.00 127.52 3ie0 s PRO 44 Ca 0.69 0.61 0.06 0.00 0.04 0.00 0.00 61.00 62.40 3ie0 s PRO 44 Cb -0.11 -2.31 0.72 0.00 0.04 0.00 0.00 34.50 32.84 3ie0 s PRO 44 CO 0.55 -0.12 1.87 0.74 0.04 0.00 0.00 177.00 180.08 3ie0 h PHE 45 N 1.11 0.92 0.00 0.56 0.04 -1.95 -3.46 116.94 114.15 3ie0 h PHE 45 Ca -0.47 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.33 3ie0 h PHE 45 Cb 1.19 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.05 3ie0 h PHE 45 CO 0.62 0.37 0.00 0.41 -0.60 0.00 0.00 178.31 179.11 3ie0 n GLY 46 N -1.41 0.65 3.31 -1.45 0.00 -1.26 -5.00 105.19 100.04 3ie0 n GLY 46 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3ie0 n GLY 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ie0 s PHE 47 N -2.00 1.14 -0.60 1.61 -0.71 -1.26 -5.09 117.98 111.07 3ie0 s PHE 47 Ca 0.00 -1.32 -0.21 0.00 -1.04 0.00 0.00 56.93 54.36 3ie0 s PHE 47 Cb 0.00 -0.41 0.07 0.00 -1.21 0.00 0.00 43.02 41.47 3ie0 s PHE 47 CO 0.00 -0.80 0.83 0.34 -1.34 0.00 0.00 175.22 174.25 3ie0 s ASP 48 N -3.19 6.20 0.62 1.98 2.15 -1.26 -4.91 116.67 118.27 3ie0 s ASP 48 Ca 0.36 -1.03 0.29 0.00 0.43 0.00 0.00 52.55 52.60 3ie0 s ASP 48 Cb 0.04 -2.36 1.57 0.00 -0.30 0.00 0.00 42.92 41.86 3ie0 s ASP 48 CO 0.16 -1.23 1.93 1.55 -0.17 0.00 0.00 175.17 177.41 3ie0 h PRO 49 N 9.33 0.00 0.00 4.34 0.13 -1.92 0.19 132.00 144.07 3ie0 h PRO 49 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3ie0 h PRO 49 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3ie0 h PRO 49 CO 1.11 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.51 3ie0 n LYS 50 N -3.35 0.11 -0.26 0.86 5.02 -1.26 -3.35 118.16 115.92 3ie0 n LYS 50 Ca 0.03 0.01 0.10 0.00 -2.02 0.00 0.00 58.31 56.43 3ie0 n LYS 50 Cb 0.50 -1.50 0.24 0.00 -0.02 0.00 0.00 35.03 34.25 3ie0 n LYS 50 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3ie0 n GLU 51 N -1.44 2.63 -2.90 1.97 -0.58 0.66 -4.92 120.64 116.06 3ie0 n GLU 51 Ca 0.09 -2.35 -0.40 0.00 -0.42 0.00 0.00 57.16 54.08 3ie0 n GLU 51 Cb 0.31 -1.45 -0.05 0.00 -0.57 0.00 0.00 31.44 29.67 3ie0 n GLU 51 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3ie0 s VAL 52 N -1.09 4.73 -0.68 2.62 1.01 -1.21 -4.57 120.40 121.21 3ie0 s VAL 52 Ca 0.38 1.76 0.24 0.00 0.00 0.00 0.00 61.98 64.36 3ie0 s VAL 52 Cb 0.20 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3ie0 s VAL 52 CO 0.27 0.32 1.22 0.47 0.00 0.00 0.00 175.10 177.38 3ie0 n ASP 53 N 3.04 0.64 0.00 3.32 8.00 0.71 -4.78 116.55 127.49 3ie0 n ASP 53 Ca -0.00 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.44 3ie0 n ASP 53 Cb 0.50 0.42 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 3ie0 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ie0 n ALA 54 N -1.78 0.00 -2.63 2.24 0.00 -1.22 -4.57 120.51 112.54 3ie0 n ALA 54 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 3ie0 n ALA 54 Cb 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.74 3ie0 n ALA 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3ie0 s VAL 55 N -2.00 1.25 -0.03 0.00 0.11 -0.85 -0.64 120.40 118.24 3ie0 s VAL 55 Ca 0.00 -1.18 0.07 0.00 -2.93 0.00 0.00 61.98 57.94 3ie0 s VAL 55 Cb 0.00 -1.14 -0.01 0.00 -1.53 0.00 0.00 36.38 33.69 3ie0 s VAL 55 CO 0.00 -0.05 -0.23 -0.76 -3.33 0.00 0.00 175.10 170.73 3ie0 s LEU 56 N -1.42 2.04 -0.14 2.54 1.02 0.14 -0.75 118.68 122.10 3ie0 s LEU 56 Ca 0.02 -0.44 -0.01 0.00 0.02 0.00 0.00 54.13 53.72 3ie0 s LEU 56 Cb -0.09 -1.23 -0.02 0.00 0.02 0.00 0.00 46.19 44.87 3ie0 s LEU 56 CO 0.02 0.27 -0.11 -0.76 0.02 0.00 0.00 176.35 175.79 3ie0 s LEU 57 N -0.40 2.83 0.19 1.79 1.02 -0.24 0.30 118.68 124.17 3ie0 s LEU 57 Ca 0.05 -0.29 0.15 0.00 0.02 0.00 0.00 54.13 54.05 3ie0 s LEU 57 Cb -0.11 -1.65 -0.03 0.00 0.02 0.00 0.00 46.19 44.42 3ie0 s LEU 57 CO 0.01 0.15 1.22 0.71 0.02 0.00 0.00 176.35 178.46 3ie0 h THR 58 N 5.37 0.83 -1.74 5.49 1.35 -1.88 -3.43 112.91 118.91 3ie0 h THR 58 Ca -0.28 -2.28 0.28 0.00 -0.55 0.00 0.00 66.41 63.58 3ie0 h THR 58 Cb 1.21 2.34 -0.11 0.00 -1.73 0.00 0.00 68.15 69.86 3ie0 h THR 58 CO 0.57 0.47 0.71 -1.38 -0.25 0.00 0.00 175.52 175.65 3ie0 s HIS 59 N -2.92 -0.07 -1.59 4.73 -3.43 -1.26 -1.38 115.29 109.38 3ie0 s HIS 59 Ca 0.01 -0.10 0.31 0.00 -0.80 0.00 0.00 55.06 54.48 3ie0 s HIS 59 Cb 0.08 0.58 1.63 0.00 -1.43 0.00 0.00 32.58 33.44 3ie0 s HIS 59 CO 0.78 -0.46 2.10 0.00 -2.00 0.00 0.00 174.74 175.16 3ie0 n ALA 60 N -0.48 2.54 -1.71 -1.38 0.00 -1.26 -4.52 120.51 113.70 3ie0 n ALA 60 Ca -0.08 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 3ie0 n ALA 60 Cb 0.62 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3ie0 n ALA 60 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3ie0 n HIS 61 N -1.21 2.30 -0.02 0.00 8.25 -1.26 -4.77 115.22 118.52 3ie0 n HIS 61 Ca 0.17 0.52 0.21 0.00 -0.26 0.00 0.00 57.72 58.36 3ie0 n HIS 61 Cb 0.20 -2.41 0.70 0.00 1.12 0.00 0.00 29.99 29.60 3ie0 n HIS 61 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3ie0 h LEU 62 N 2.41 0.00 -0.09 2.41 5.85 -1.92 -1.61 115.31 122.35 3ie0 h LEU 62 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3ie0 h LEU 62 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3ie0 h LEU 62 CO 0.62 0.00 0.00 -0.90 -0.34 0.00 0.00 178.44 177.82 3ie0 n ASP 63 N -4.35 0.09 0.00 1.25 5.75 -1.26 0.12 116.55 118.15 3ie0 n ASP 63 Ca 0.11 -1.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 3ie0 n ASP 63 Cb 0.65 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.70 3ie0 n ASP 63 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3ie0 n HIS 64 N -0.45 0.00 0.00 2.11 8.25 -0.64 -3.17 115.22 121.33 3ie0 n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3ie0 n HIS 64 Cb 0.02 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.13 3ie0 n HIS 64 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3ie0 n VAL 65 N -0.03 0.00 0.02 1.59 0.31 -1.01 -0.90 118.33 118.31 3ie0 n VAL 65 Ca 0.00 0.00 0.22 0.00 -0.01 0.00 0.00 64.34 64.55 3ie0 n VAL 65 Cb 0.12 0.18 0.73 0.00 -0.91 0.00 0.00 33.84 33.96 3ie0 n VAL 65 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3ie0 h GLY 66 N 0.00 0.00 -2.21 2.92 0.00 0.96 -1.75 103.07 102.99 3ie0 h GLY 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3ie0 h GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.08 3ie0 n ARG 67 N -3.99 2.45 -0.08 4.80 1.74 0.91 -4.48 116.66 118.00 3ie0 n ARG 67 Ca 0.10 -2.24 -0.07 0.00 -0.77 0.00 0.00 57.85 54.87 3ie0 n ARG 67 Cb 0.67 -1.49 -0.00 0.00 -1.02 0.00 0.00 32.46 30.62 3ie0 n ARG 67 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3ie0 h LEU 68 N 4.27 -0.05 -1.48 0.55 5.85 -0.90 -0.92 115.31 122.64 3ie0 h LEU 68 Ca 0.00 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3ie0 h LEU 68 Cb 0.96 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.04 3ie0 h LEU 68 CO 0.00 0.01 0.41 1.55 -0.34 0.00 0.00 178.44 180.07 3ie0 h PRO 69 N 0.13 0.64 -0.71 5.25 0.13 -1.79 0.37 132.00 136.00 3ie0 h PRO 69 Ca 0.14 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.18 3ie0 h PRO 69 Cb 0.16 -0.14 -0.03 0.00 0.13 0.00 0.00 31.00 31.12 3ie0 h PRO 69 CO -0.20 0.42 0.25 -0.22 -0.23 0.00 0.00 178.00 178.02 3ie0 h LYS 70 N 0.66 1.08 -0.80 0.86 3.64 -1.56 0.30 116.57 120.75 3ie0 h LYS 70 Ca 0.26 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3ie0 h LYS 70 Cb 0.20 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 3ie0 h LYS 70 CO -0.08 0.90 0.53 1.25 -2.27 0.00 0.00 179.45 179.78 3ie0 h LEU 71 N 1.05 0.89 -0.02 5.20 5.85 0.35 -0.61 115.31 128.02 3ie0 h LEU 71 Ca 0.24 -0.02 -0.24 0.00 0.84 0.00 0.00 57.88 58.69 3ie0 h LEU 71 Cb 0.25 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 3ie0 h LEU 71 CO -0.01 0.64 -1.09 -0.26 -0.34 0.00 0.00 178.44 177.37 3ie0 h PHE 72 N 1.05 0.43 -0.67 1.25 -1.00 -0.77 -2.68 116.94 114.54 3ie0 h PHE 72 Ca 0.30 -0.28 0.01 0.00 2.81 0.00 0.00 57.97 60.81 3ie0 h PHE 72 Cb -0.06 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 39.43 3ie0 h PHE 72 CO -0.00 1.17 0.45 -0.09 -1.61 0.00 0.00 178.31 178.22 3ie0 h ARG 73 N 0.10 0.87 -0.74 1.51 2.43 0.44 -2.28 114.38 116.71 3ie0 h ARG 73 Ca -0.09 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 3ie0 h ARG 73 Cb 1.79 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 31.13 3ie0 h ARG 73 CO 0.18 0.58 0.02 0.39 -1.51 0.00 0.00 179.97 179.62 3ie0 n GLU 74 N -4.44 3.46 0.00 0.20 1.02 -0.32 -4.93 120.64 115.63 3ie0 n GLU 74 Ca 0.07 -2.04 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 3ie0 n GLU 74 Cb 0.05 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 3ie0 n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie0 n GLY 75 N 0.36 3.54 3.51 0.62 0.00 -0.86 -4.56 105.19 107.81 3ie0 n GLY 75 Ca 0.19 -0.95 -0.51 0.00 0.00 0.00 0.00 46.02 44.75 3ie0 n GLY 75 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ie0 n TYR 76 N 0.00 0.65 -2.16 1.61 4.19 -1.01 -4.88 117.16 115.55 3ie0 n TYR 76 Ca 0.00 0.85 0.01 0.00 3.31 0.00 0.00 57.90 62.07 3ie0 n TYR 76 Cb 0.00 -2.14 0.00 0.00 0.49 0.00 0.00 39.34 37.69 3ie0 n TYR 76 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 3ie0 n ARG 77 N 1.43 0.00 -2.01 2.98 5.12 -1.26 -4.44 116.66 118.48 3ie0 n ARG 77 Ca 0.17 -1.25 -0.19 0.00 -1.93 0.00 0.00 57.85 54.65 3ie0 n ARG 77 Cb 0.21 -0.28 0.10 0.00 -1.16 0.00 0.00 32.46 31.33 3ie0 n ARG 77 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ie0 n GLY 78 N 0.16 0.32 3.83 -0.13 0.00 -1.26 -5.08 105.19 103.02 3ie0 n GLY 78 Ca 0.01 -1.96 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 3ie0 n GLY 78 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ie0 s PRO 79 N -4.61 3.27 -0.25 1.61 0.04 -1.26 -4.84 135.00 128.95 3ie0 s PRO 79 Ca 0.52 0.98 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 3ie0 s PRO 79 Cb -0.03 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.56 3ie0 s PRO 79 CO 0.35 -0.84 0.08 0.08 0.04 0.00 0.00 177.00 176.71 3ie0 s VAL 80 N -2.87 0.52 0.30 -0.36 1.01 -0.57 -2.00 120.40 116.43 3ie0 s VAL 80 Ca 0.59 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 3ie0 s VAL 80 Cb -0.13 -1.23 -0.08 0.00 0.00 0.00 0.00 36.38 34.93 3ie0 s VAL 80 CO 0.47 -0.47 0.66 -0.31 0.00 0.00 0.00 175.10 175.45 3ie0 s TYR 81 N 1.83 3.41 -0.05 5.22 1.51 0.07 -1.72 117.35 127.61 3ie0 s TYR 81 Ca 0.05 1.03 -0.31 0.00 -1.01 0.00 0.00 57.07 56.83 3ie0 s TYR 81 Cb -0.17 -2.39 0.11 0.00 -0.11 0.00 0.00 41.96 39.40 3ie0 s TYR 81 CO -0.19 0.14 1.04 0.00 -1.11 0.00 0.00 175.55 175.43 3ie0 s ALA 82 N -1.98 -1.93 0.62 3.71 0.00 -1.06 -1.07 121.76 120.04 3ie0 s ALA 82 Ca 0.51 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 53.38 3ie0 s ALA 82 Cb -0.11 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3ie0 s ALA 82 CO 0.21 -0.74 1.09 0.95 0.00 0.00 0.00 175.76 177.27 3ie0 s THR 83 N -2.84 3.49 0.30 0.00 -4.23 -1.18 -1.13 115.64 110.06 3ie0 s THR 83 Ca 0.08 0.72 0.06 0.00 -1.18 0.00 0.00 61.69 61.38 3ie0 s THR 83 Cb -0.00 -3.25 0.30 0.00 1.34 0.00 0.00 72.50 70.89 3ie0 s THR 83 CO -0.06 -0.40 1.75 -0.09 -0.54 0.00 0.00 174.62 175.28 3ie0 h ARG 84 N 0.34 0.62 -0.19 3.99 2.43 -1.93 0.34 114.38 119.98 3ie0 h ARG 84 Ca -0.47 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3ie0 h ARG 84 Cb 1.24 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.64 3ie0 h ARG 84 CO 0.56 0.41 0.11 0.00 -1.51 0.00 0.00 179.97 179.54 3ie0 h ALA 85 N 1.67 0.24 -0.63 2.80 0.00 -1.89 0.43 119.26 121.89 3ie0 h ALA 85 Ca 0.59 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.41 3ie0 h ALA 85 Cb 1.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 3ie0 h ALA 85 CO -0.43 -0.25 0.20 1.15 0.00 0.00 0.00 179.25 179.93 3ie0 h THR 86 N 0.23 1.25 -0.62 0.00 2.02 -1.23 0.35 112.91 114.91 3ie0 h THR 86 Ca 0.07 -0.83 0.10 0.00 0.77 0.00 0.00 66.41 66.52 3ie0 h THR 86 Cb 0.03 0.60 -0.08 0.00 -1.74 0.00 0.00 68.15 66.96 3ie0 h THR 86 CO -0.01 0.32 0.22 0.58 0.37 0.00 0.00 175.52 177.00 3ie0 h VAL 87 N 0.90 0.75 -0.01 3.16 2.07 0.28 0.28 116.25 123.68 3ie0 h VAL 87 Ca 0.20 -0.13 -0.13 0.00 0.82 0.00 0.00 66.70 67.45 3ie0 h VAL 87 Cb 0.28 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3ie0 h VAL 87 CO -0.01 0.07 -0.52 -0.07 0.02 0.00 0.00 177.57 177.07 3ie0 h LEU 88 N 0.39 0.48 -0.53 2.57 3.38 -0.63 -3.27 115.31 117.69 3ie0 h LEU 88 Ca 0.32 -0.75 0.06 0.00 0.09 0.00 0.00 57.88 57.60 3ie0 h LEU 88 Cb 0.41 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3ie0 h LEU 88 CO -0.32 1.16 0.24 -0.07 0.09 0.00 0.00 178.44 179.53 3ie0 h LEU 89 N -0.16 0.31 -1.00 1.67 3.38 -0.65 -2.54 115.31 116.31 3ie0 h LEU 89 Ca -0.06 0.05 0.27 0.00 0.09 0.00 0.00 57.88 58.22 3ie0 h LEU 89 Cb 1.23 -0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.84 3ie0 h LEU 89 CO 0.10 0.21 0.59 -0.03 0.09 0.00 0.00 178.44 179.40 3ie0 h MET 90 N 0.46 0.49 -0.28 1.13 4.05 -0.51 -0.90 114.93 119.38 3ie0 h MET 90 Ca 0.25 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.64 3ie0 h MET 90 Cb 0.21 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 3ie0 h MET 90 CO -0.21 0.33 0.16 1.49 0.23 0.00 0.00 176.91 178.91 3ie0 h GLU 91 N 0.51 0.39 -0.53 0.39 4.81 -1.51 -0.15 114.58 118.49 3ie0 h GLU 91 Ca 0.67 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.82 3ie0 h GLU 91 Cb 1.35 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 3ie0 h GLU 91 CO -0.51 0.32 0.17 0.82 -0.73 0.00 0.00 179.01 179.08 3ie0 h ILE 92 N 0.35 1.23 -0.77 2.32 2.04 -1.27 -2.01 117.51 119.40 3ie0 h ILE 92 Ca 0.10 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 3ie0 h ILE 92 Cb 0.03 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3ie0 h ILE 92 CO -0.02 0.29 0.31 0.58 0.00 0.00 0.00 178.15 179.31 3ie0 h VAL 93 N 0.73 1.25 0.16 1.67 2.07 -1.17 -2.50 116.25 118.47 3ie0 h VAL 93 Ca 0.17 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 3ie0 h VAL 93 Cb 0.27 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 3ie0 h VAL 93 CO -0.01 0.33 -0.08 -0.07 0.02 0.00 0.00 177.57 177.76 3ie0 h LEU 94 N 1.12 -0.18 -0.84 2.57 4.07 -0.93 -2.75 115.31 118.37 3ie0 h LEU 94 Ca 0.26 -0.34 0.21 0.00 0.08 0.00 0.00 57.88 58.09 3ie0 h LEU 94 Cb 0.20 0.05 -0.13 0.00 1.08 0.00 0.00 40.66 41.86 3ie0 h LEU 94 CO -0.02 0.38 0.26 -0.33 -1.08 0.00 0.00 178.44 177.65 3ie0 h GLU 95 N -0.90 0.27 -0.44 1.13 4.39 -1.41 0.12 114.58 117.74 3ie0 h GLU 95 Ca -0.02 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.53 3ie0 h GLU 95 Cb 0.51 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 3ie0 h GLU 95 CO 0.04 0.18 -0.24 0.22 -1.16 0.00 0.00 179.01 178.04 3ie0 h ASP 96 N 0.28 0.94 -0.03 1.42 1.82 -1.53 -1.27 116.42 118.05 3ie0 h ASP 96 Ca 0.51 -0.36 -0.06 0.00 -0.39 0.00 0.00 57.03 56.73 3ie0 h ASP 96 Cb 0.97 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 3ie0 h ASP 96 CO -0.58 1.13 -0.15 0.00 -1.61 0.00 0.00 179.24 178.03 3ie0 h ALA 97 N 0.94 1.36 0.11 -0.78 0.00 -0.65 0.15 119.26 120.40 3ie0 h ALA 97 Ca 0.10 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3ie0 h ALA 97 Cb 0.80 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3ie0 h ALA 97 CO 0.07 0.43 -0.05 1.25 0.00 0.00 0.00 179.25 180.95 3ie0 h LEU 98 N 0.32 -0.13 -0.20 0.00 6.46 -0.58 -3.29 115.31 117.89 3ie0 h LEU 98 Ca 0.06 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.85 3ie0 h LEU 98 Cb 0.46 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 3ie0 h LEU 98 CO 0.03 -0.06 -0.19 0.50 -0.62 0.00 0.00 178.44 178.10 3ie0 h LYS 99 N -0.21 -0.08 -4.86 1.25 3.64 -1.16 -3.01 116.57 112.14 3ie0 h LYS 99 Ca -0.02 0.01 -0.72 0.00 -1.27 0.00 0.00 60.65 58.65 3ie0 h LYS 99 Cb 0.12 0.02 -0.12 0.00 -0.41 0.00 0.00 32.23 31.83 3ie0 h LYS 99 CO 0.03 -0.05 1.95 0.28 -2.27 0.00 0.00 179.45 179.38 3ie0 n VAL 100 N -3.64 4.07 -3.43 2.00 0.31 0.53 -4.82 118.33 113.37 3ie0 n VAL 100 Ca -0.00 -4.27 -0.00 0.00 -0.01 0.00 0.00 64.34 60.05 3ie0 n VAL 100 Cb 0.10 -2.43 -0.03 0.00 -0.91 0.00 0.00 33.84 30.57 3ie0 n VAL 100 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 3ie0 s MET 101 N 2.49 0.54 -0.00 5.55 0.00 -1.14 -4.67 119.30 122.07 3ie0 s MET 101 Ca 0.47 1.18 -0.20 0.00 0.00 0.00 0.00 55.69 57.14 3ie0 s MET 101 Cb 0.03 0.62 -0.11 0.00 0.00 0.00 0.00 34.83 35.37 3ie0 s MET 101 CO 0.02 -0.40 0.92 -0.44 0.00 0.00 0.00 175.02 175.11 3ie0 h ASP 102 N 8.02 -0.61 -3.15 1.11 3.32 -1.88 -3.38 116.42 119.85 3ie0 h ASP 102 Ca -0.20 0.02 -0.76 0.00 0.02 0.00 0.00 57.03 56.11 3ie0 h ASP 102 Cb 1.13 0.16 -0.23 0.00 0.22 0.00 0.00 39.33 40.61 3ie0 h ASP 102 CO 0.18 -0.27 0.57 -1.61 -1.72 0.00 0.00 179.24 176.39 3ie0 s GLU 103 N -3.99 3.83 -0.07 3.56 0.41 -1.26 -5.03 118.70 116.16 3ie0 s GLU 103 Ca -0.11 -2.50 -0.30 0.00 -0.41 0.00 0.00 54.97 51.65 3ie0 s GLU 103 Cb 0.01 -4.68 -0.03 0.00 -1.78 0.00 0.00 34.13 27.64 3ie0 s GLU 103 CO 0.32 -1.47 1.27 -1.25 -0.49 0.00 0.00 175.26 173.63 3ie0 s PRO 104 N 0.65 4.31 -0.03 0.39 0.04 -1.26 -4.89 135.00 134.20 3ie0 s PRO 104 Ca 0.29 1.75 0.20 0.00 0.04 0.00 0.00 61.00 63.27 3ie0 s PRO 104 Cb -0.08 -3.61 0.62 0.00 0.04 0.00 0.00 34.50 31.47 3ie0 s PRO 104 CO -0.07 -0.54 1.52 1.97 0.04 0.00 0.00 177.00 179.92 3ie0 n PHE 105 N 5.57 1.04 -3.72 0.56 1.16 -1.26 -4.94 117.46 115.87 3ie0 n PHE 105 Ca 0.12 -0.54 -0.07 0.00 -1.87 0.00 0.00 57.45 55.09 3ie0 n PHE 105 Cb 0.45 -0.08 -0.02 0.00 -1.61 0.00 0.00 39.48 38.23 3ie0 n PHE 105 CO 0.00 0.00 0.00 -0.59 -1.87 0.00 0.00 176.76 174.30 3ie0 s PHE 106 N -1.27 -0.24 0.37 2.97 -0.71 -1.26 -4.80 117.98 113.03 3ie0 s PHE 106 Ca 0.46 -0.10 0.05 0.00 -1.04 0.00 0.00 56.93 56.30 3ie0 s PHE 106 Cb 0.26 0.65 -0.03 0.00 -1.21 0.00 0.00 43.02 42.69 3ie0 s PHE 106 CO 0.28 -0.98 0.18 0.20 -1.34 0.00 0.00 175.22 173.56 3ie0 s GLY 107 N -2.86 2.44 0.33 1.99 0.00 -1.26 -5.03 107.32 102.94 3ie0 s GLY 107 Ca 0.09 -1.55 0.10 0.00 0.00 0.00 0.00 44.72 43.36 3ie0 s GLY 107 CO 0.01 -1.69 1.75 -0.56 0.00 0.00 0.00 173.10 172.61 3ie0 h PRO 108 N 1.96 0.58 -0.46 2.90 0.13 -2.00 0.97 132.00 136.08 3ie0 h PRO 108 Ca -0.32 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.80 3ie0 h PRO 108 Cb 1.26 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3ie0 h PRO 108 CO 0.50 0.38 0.30 1.05 -0.23 0.00 0.00 178.00 180.00 3ie0 h GLU 109 N 0.60 0.51 -0.03 0.86 9.09 -2.00 -2.13 114.58 121.48 3ie0 h GLU 109 Ca 0.61 -0.03 -0.15 0.00 0.05 0.00 0.00 59.36 59.84 3ie0 h GLU 109 Cb 1.18 -0.12 0.01 0.00 -1.65 0.00 0.00 28.75 28.18 3ie0 h GLU 109 CO -0.41 0.34 -0.58 -0.44 0.05 0.00 0.00 179.01 177.97 3ie0 h ASP 110 N 0.53 0.56 0.18 3.06 3.32 -1.14 -1.92 116.42 121.01 3ie0 h ASP 110 Ca 0.18 -0.73 0.01 0.00 0.02 0.00 0.00 57.03 56.52 3ie0 h ASP 110 Cb 0.07 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3ie0 h ASP 110 CO -0.04 1.21 -0.28 0.58 -1.72 0.00 0.00 179.24 178.98 3ie0 h VAL 111 N -0.03 0.39 -0.06 -1.35 2.07 -1.19 0.42 116.25 116.50 3ie0 h VAL 111 Ca -0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.49 3ie0 h VAL 111 Cb 1.27 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 3ie0 h VAL 111 CO 0.12 0.00 -0.34 -0.08 0.02 0.00 0.00 177.57 177.28 3ie0 h GLU 112 N -0.53 -0.44 -0.42 1.57 4.81 -1.48 0.47 114.58 118.56 3ie0 h GLU 112 Ca 0.02 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3ie0 h GLU 112 Cb 0.53 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.94 3ie0 h GLU 112 CO -0.13 -0.30 -0.02 1.49 -0.73 0.00 0.00 179.01 179.33 3ie0 h GLU 113 N -0.46 0.09 -0.27 1.92 4.57 -1.01 -0.90 114.58 118.51 3ie0 h GLU 113 Ca 0.07 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.26 3ie0 h GLU 113 Cb 0.57 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.12 3ie0 h GLU 113 CO -0.32 0.06 0.14 0.00 -1.18 0.00 0.00 179.01 177.71 3ie0 h ALA 114 N 1.38 0.32 0.00 2.92 0.00 0.98 -2.38 119.26 122.48 3ie0 h ALA 114 Ca 0.21 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3ie0 h ALA 114 Cb 0.30 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3ie0 h ALA 114 CO -0.36 -0.25 -0.26 -0.07 0.00 0.00 0.00 179.25 178.30 3ie0 h LEU 115 N 0.29 0.00 -1.93 0.00 3.38 0.26 -2.85 115.31 114.46 3ie0 h LEU 115 Ca 0.11 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3ie0 h LEU 115 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3ie0 h LEU 115 CO -0.07 0.26 0.17 1.23 0.09 0.00 0.00 178.44 180.13 3ie0 h GLY 116 N 0.89 0.11 -2.12 0.83 0.00 -0.62 -2.47 103.07 99.69 3ie0 h GLY 116 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 3ie0 h GLY 116 CO 0.03 0.03 0.00 1.42 0.00 0.00 0.00 176.54 178.02 3ie0 n HIS 117 N -4.48 0.70 -2.25 5.60 8.25 -1.08 -4.94 115.22 117.02 3ie0 n HIS 117 Ca 0.02 -0.35 -0.41 0.00 -0.26 0.00 0.00 57.72 56.73 3ie0 n HIS 117 Cb 0.26 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.34 3ie0 n HIS 117 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3ie0 s LEU 118 N -1.15 4.45 -0.01 2.41 1.43 -0.93 -1.52 118.68 123.37 3ie0 s LEU 118 Ca 0.39 2.47 0.01 0.00 -1.03 0.00 0.00 54.13 55.97 3ie0 s LEU 118 Cb 0.21 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.81 3ie0 s LEU 118 CO 0.28 -0.44 -0.03 -0.13 0.23 0.00 0.00 176.35 176.27 3ie0 s ARG 119 N -1.02 0.33 0.23 1.70 0.52 -0.70 -4.90 118.95 115.11 3ie0 s ARG 119 Ca 0.51 -0.08 -0.30 0.00 -0.52 0.00 0.00 55.73 55.34 3ie0 s ARG 119 Cb -0.36 -0.36 -0.09 0.00 0.52 0.00 0.00 34.95 34.65 3ie0 s ARG 119 CO 0.44 0.02 1.11 -1.25 0.02 0.00 0.00 175.30 175.64 3ie0 s PRO 120 N 0.23 4.61 -0.08 3.54 0.04 -1.26 -2.58 135.00 139.51 3ie0 s PRO 120 Ca -0.02 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.76 3ie0 s PRO 120 Cb -0.05 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.30 3ie0 s PRO 120 CO -0.00 0.13 0.07 -1.17 0.04 0.00 0.00 177.00 176.06 3ie0 s LEU 121 N -0.87 0.20 0.27 -3.56 2.96 -0.29 -4.87 118.68 112.52 3ie0 s LEU 121 Ca 0.47 -0.12 0.06 0.00 -0.22 0.00 0.00 54.13 54.32 3ie0 s LEU 121 Cb -0.31 -0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.19 3ie0 s LEU 121 CO 0.38 -0.28 0.37 -1.61 -1.32 0.00 0.00 176.35 173.89 3ie0 s GLU 122 N 2.16 3.25 0.10 1.98 0.41 -1.26 -3.10 118.70 122.25 3ie0 s GLU 122 Ca 0.04 -0.89 -0.36 0.00 -0.41 0.00 0.00 54.97 53.35 3ie0 s GLU 122 Cb -0.13 -2.81 -0.17 0.00 -1.78 0.00 0.00 34.13 29.23 3ie0 s GLU 122 CO -0.05 0.30 1.13 0.66 -0.49 0.00 0.00 175.26 176.81 3ie0 n TYR 123 N -1.45 1.00 -2.36 1.61 4.01 -1.26 -1.78 117.16 116.91 3ie0 n TYR 123 Ca -0.06 0.81 -0.09 0.00 -0.16 0.00 0.00 57.90 58.40 3ie0 n TYR 123 Cb 0.58 -2.21 0.01 0.00 -0.31 0.00 0.00 39.34 37.40 3ie0 n TYR 123 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ie0 n GLY 124 N 2.01 0.08 2.98 2.72 0.00 -1.17 -4.97 105.19 106.83 3ie0 n GLY 124 Ca 0.18 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 3ie0 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie0 s GLU 125 N -4.72 2.04 -0.08 1.61 2.02 -0.74 -5.04 118.70 113.80 3ie0 s GLU 125 Ca 0.06 -0.53 -0.24 0.00 0.02 0.00 0.00 54.97 54.28 3ie0 s GLU 125 Cb -0.03 -2.03 -0.03 0.00 0.10 0.00 0.00 34.13 32.14 3ie0 s GLU 125 CO 0.08 -0.28 0.73 -1.58 0.02 0.00 0.00 175.26 174.22 3ie0 s TRP 126 N 1.53 3.56 0.10 1.61 0.52 -1.26 -4.50 118.94 120.51 3ie0 s TRP 126 Ca 0.04 1.27 -0.11 0.00 0.02 0.00 0.00 56.10 57.32 3ie0 s TRP 126 Cb -0.13 -2.84 -0.06 0.00 -1.15 0.00 0.00 33.47 29.28 3ie0 s TRP 126 CO -0.10 0.04 0.44 -1.17 0.02 0.00 0.00 176.95 176.19 3ie0 s LEU 127 N 0.97 4.33 -0.12 2.99 2.96 -0.04 -4.92 118.68 124.86 3ie0 s LEU 127 Ca 0.38 0.85 0.01 0.00 -0.22 0.00 0.00 54.13 55.16 3ie0 s LEU 127 Cb -0.18 -3.09 0.02 0.00 0.50 0.00 0.00 46.19 43.44 3ie0 s LEU 127 CO 0.18 0.14 -0.15 -0.13 -1.32 0.00 0.00 176.35 175.07 3ie0 s ARG 128 N -1.99 2.26 -0.20 1.98 1.81 -1.26 -1.80 118.95 119.75 3ie0 s ARG 128 Ca 0.35 -0.57 -0.05 0.00 -1.72 0.00 0.00 55.73 53.75 3ie0 s ARG 128 Cb -0.14 -1.95 0.07 0.00 -0.45 0.00 0.00 34.95 32.48 3ie0 s ARG 128 CO 0.19 -0.10 0.09 -0.51 -0.68 0.00 0.00 175.30 174.29 3ie0 s LEU 129 N 1.09 0.50 0.00 2.53 1.43 -1.01 -5.00 118.68 118.22 3ie0 s LEU 129 Ca -0.04 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 3ie0 s LEU 129 Cb -0.14 -0.31 0.00 0.00 0.03 0.00 0.00 46.19 45.77 3ie0 s LEU 129 CO -0.04 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 176.79 3ie0 n GLY 130 N 5.24 2.88 1.26 -3.19 0.00 -1.26 -0.62 105.19 109.51 3ie0 n GLY 130 Ca -0.07 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 45.78 3ie0 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie0 n ALA 131 N 11.43 2.90 -2.35 4.61 0.00 -1.26 -4.94 120.51 130.90 3ie0 n ALA 131 Ca 0.00 -1.19 -0.35 0.00 0.00 0.00 0.00 53.44 51.91 3ie0 n ALA 131 Cb 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 3ie0 n ALA 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ie0 s LEU 132 N -1.47 4.30 -0.11 0.00 1.43 0.21 -4.46 118.68 118.58 3ie0 s LEU 132 Ca 0.39 1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 54.55 3ie0 s LEU 132 Cb 0.25 -3.39 0.03 0.00 0.03 0.00 0.00 46.19 43.11 3ie0 s LEU 132 CO 0.20 0.06 -0.02 -0.44 0.23 0.00 0.00 176.35 176.38 3ie0 s SER 133 N -1.86 2.11 0.16 2.29 0.01 0.21 -2.41 113.70 114.22 3ie0 s SER 133 Ca 0.40 -0.34 0.10 0.00 1.31 0.00 0.00 55.95 57.43 3ie0 s SER 133 Cb -0.14 -0.61 -0.04 0.00 0.21 0.00 0.00 66.02 65.43 3ie0 s SER 133 CO 0.20 -0.20 -0.23 -0.76 0.41 0.00 0.00 173.24 172.65 3ie0 s LEU 134 N 1.85 2.39 -0.12 2.44 1.43 -0.75 -0.44 118.68 125.48 3ie0 s LEU 134 Ca 0.03 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 52.03 3ie0 s LEU 134 Cb -0.14 -1.09 0.07 0.00 0.03 0.00 0.00 46.19 45.07 3ie0 s LEU 134 CO -0.07 0.10 0.70 0.00 0.23 0.00 0.00 176.35 177.31 3ie0 s ALA 135 N -1.52 -1.78 0.40 4.21 0.00 -0.62 -0.86 121.76 121.60 3ie0 s ALA 135 Ca 0.16 1.55 -0.10 0.00 0.00 0.00 0.00 51.96 53.58 3ie0 s ALA 135 Cb -0.08 -0.39 -0.06 0.00 0.00 0.00 0.00 23.12 22.58 3ie0 s ALA 135 CO 0.08 -0.36 0.76 -0.06 0.00 0.00 0.00 175.76 176.18 3ie0 s PHE 136 N -0.68 3.47 0.04 0.00 0.08 -1.26 -1.10 117.98 118.53 3ie0 s PHE 136 Ca -0.07 1.03 0.03 0.00 0.12 0.00 0.00 56.93 58.04 3ie0 s PHE 136 Cb -0.02 -2.43 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 3ie0 s PHE 136 CO 0.07 -0.10 -0.10 0.20 -0.10 0.00 0.00 175.22 175.19 3ie0 s GLY 137 N -3.16 0.62 -0.17 4.36 0.00 -0.45 -3.04 107.32 105.49 3ie0 s GLY 137 Ca 0.51 -0.77 -0.30 0.00 0.00 0.00 0.00 44.72 44.16 3ie0 s GLY 137 CO 0.31 -0.78 2.14 -0.18 0.00 0.00 0.00 173.10 174.59 3ie0 n GLN 138 N 1.71 2.05 -0.02 2.90 -0.06 -1.26 -1.44 117.38 121.26 3ie0 n GLN 138 Ca -0.20 0.63 0.04 0.00 -2.00 0.00 0.00 57.00 55.47 3ie0 n GLN 138 Cb 0.55 -3.03 -0.14 0.00 -4.06 0.00 0.00 30.24 23.55 3ie0 n GLN 138 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3ie0 n ALA 139 N 10.15 2.30 -3.53 1.69 0.00 -0.95 0.24 120.51 130.42 3ie0 n ALA 139 Ca 0.29 -0.73 -0.24 0.00 0.00 0.00 0.00 53.44 52.75 3ie0 n ALA 139 Cb 0.40 -0.65 0.07 0.00 0.00 0.00 0.00 19.45 19.26 3ie0 n ALA 139 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie0 n GLY 140 N 1.41 -0.54 0.01 0.00 0.00 -1.26 -1.90 105.19 102.92 3ie0 n GLY 140 Ca -0.13 0.23 0.01 0.00 0.00 0.00 0.00 46.02 46.13 3ie0 n GLY 140 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3ie0 n HIS 141 N -4.88 0.00 -3.53 1.61 -0.00 -1.26 -3.57 115.22 103.58 3ie0 n HIS 141 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.57 3ie0 n HIS 141 Cb 0.57 -0.17 -0.05 0.00 -0.00 0.00 0.00 29.99 30.34 3ie0 n HIS 141 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 3ie0 s LEU 142 N -3.76 -0.29 0.11 0.27 1.43 -1.26 -4.87 118.68 110.31 3ie0 s LEU 142 Ca -0.02 0.25 -0.33 0.00 -1.03 0.00 0.00 54.13 53.00 3ie0 s LEU 142 Cb 0.03 2.30 -0.12 0.00 0.03 0.00 0.00 46.19 48.43 3ie0 s LEU 142 CO 0.21 -0.75 1.73 -2.65 0.23 0.00 0.00 176.35 175.13 3ie0 n PRO 143 N 0.36 2.43 -1.98 1.29 -0.02 -1.26 -1.25 135.00 134.56 3ie0 n PRO 143 Ca -0.18 0.88 -0.07 0.00 -2.02 0.00 0.00 63.50 62.11 3ie0 n PRO 143 Cb 0.61 -2.71 -0.01 0.00 -0.02 0.00 0.00 33.50 31.36 3ie0 n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ie0 n GLY 144 N 3.91 0.22 3.88 -1.23 0.00 -1.26 -4.28 105.19 106.43 3ie0 n GLY 144 Ca 0.18 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 3ie0 n GLY 144 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ie0 s SER 145 N -2.71 6.57 0.15 1.61 1.04 -0.38 -4.38 113.70 115.59 3ie0 s SER 145 Ca 0.00 0.68 -0.06 0.00 0.48 0.00 0.00 55.95 57.05 3ie0 s SER 145 Cb 0.00 -2.13 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 3ie0 s SER 145 CO 0.00 0.19 0.19 0.00 0.98 0.00 0.00 173.24 174.60 3ie0 s ALA 146 N -1.38 0.38 0.14 5.32 0.00 -0.48 -2.23 121.76 123.52 3ie0 s ALA 146 Ca 0.31 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 51.19 3ie0 s ALA 146 Cb -0.13 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 3ie0 s ALA 146 CO 0.18 -0.58 0.03 -0.59 0.00 0.00 0.00 175.76 174.80 3ie0 s PHE 147 N -4.01 2.96 -0.15 0.00 -0.71 -0.52 -4.58 117.98 110.98 3ie0 s PHE 147 Ca 0.20 -0.07 -0.10 0.00 -1.04 0.00 0.00 56.93 55.93 3ie0 s PHE 147 Cb 0.05 -1.46 -0.05 0.00 -1.21 0.00 0.00 43.02 40.35 3ie0 s PHE 147 CO 0.01 0.51 0.18 0.08 -1.34 0.00 0.00 175.22 174.65 3ie0 s VAL 148 N -1.59 5.41 -0.36 -2.49 1.01 0.31 -1.34 120.40 121.35 3ie0 s VAL 148 Ca 0.28 0.30 -0.03 0.00 0.00 0.00 0.00 61.98 62.52 3ie0 s VAL 148 Cb -0.10 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.87 3ie0 s VAL 148 CO 0.20 0.51 0.11 -0.69 0.00 0.00 0.00 175.10 175.23 3ie0 s VAL 149 N -0.27 3.31 -0.20 2.92 1.01 -0.26 0.07 120.40 126.97 3ie0 s VAL 149 Ca 0.13 -1.61 -0.05 0.00 0.00 0.00 0.00 61.98 60.45 3ie0 s VAL 149 Cb -0.12 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 3ie0 s VAL 149 CO 0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 175.10 174.73 3ie0 s ALA 150 N 1.24 2.96 -0.02 5.51 0.00 0.20 -1.59 121.76 130.06 3ie0 s ALA 150 Ca 0.01 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 50.98 3ie0 s ALA 150 Cb -0.21 -1.73 -0.00 0.00 0.00 0.00 0.00 23.12 21.17 3ie0 s ALA 150 CO -0.02 -0.19 -0.12 -1.14 0.00 0.00 0.00 175.76 174.30 3ie0 s GLN 151 N 1.07 1.10 0.00 0.00 0.74 0.41 -0.05 119.66 122.93 3ie0 s GLN 151 Ca 0.02 -0.42 0.00 0.00 0.05 0.00 0.00 55.36 55.01 3ie0 s GLN 151 Cb -0.14 -1.03 0.00 0.00 1.10 0.00 0.00 33.01 32.94 3ie0 s GLN 151 CO 0.01 0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.37 3ie0 n GLY 152 N 3.00 1.71 3.26 2.59 0.00 -0.56 -0.62 105.19 114.57 3ie0 n GLY 152 Ca -0.16 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 3ie0 n GLY 152 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ie0 n GLU 153 N -0.40 -6.20 -0.82 1.61 1.02 -1.26 -1.63 120.64 112.97 3ie0 n GLU 153 Ca 0.00 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 3ie0 n GLU 153 Cb 0.00 -5.83 0.00 0.00 -0.02 0.00 0.00 31.44 25.59 3ie0 n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ie0 n GLY 154 N -1.73 0.20 3.61 0.62 0.00 -1.26 -4.97 105.19 101.67 3ie0 n GLY 154 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 3ie0 n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ie0 s ARG 155 N -1.09 2.13 -0.08 1.61 1.81 -0.64 -5.11 118.95 117.58 3ie0 s ARG 155 Ca 0.00 -1.56 0.01 0.00 -1.72 0.00 0.00 55.73 52.46 3ie0 s ARG 155 Cb 0.00 -2.04 0.02 0.00 -0.45 0.00 0.00 34.95 32.48 3ie0 s ARG 155 CO 0.00 0.30 -0.08 0.99 -0.68 0.00 0.00 175.30 175.82 3ie0 s THR 156 N -2.41 0.93 0.11 0.02 2.01 -1.26 -1.50 115.64 113.53 3ie0 s THR 156 Ca 0.32 -0.31 0.10 0.00 0.31 0.00 0.00 61.69 62.11 3ie0 s THR 156 Cb -0.05 -0.91 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 3ie0 s THR 156 CO 0.19 0.33 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.99 3ie0 s LEU 157 N 1.12 2.43 -0.07 4.42 2.96 0.93 -0.28 118.68 130.20 3ie0 s LEU 157 Ca -0.07 -0.64 -0.00 0.00 -0.22 0.00 0.00 54.13 53.20 3ie0 s LEU 157 Cb -0.14 -1.35 0.02 0.00 0.50 0.00 0.00 46.19 45.22 3ie0 s LEU 157 CO -0.01 0.20 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.48 3ie0 s VAL 158 N -1.04 0.66 -0.36 1.68 1.01 -0.44 -0.63 120.40 121.28 3ie0 s VAL 158 Ca 0.15 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 3ie0 s VAL 158 Cb -0.10 -0.71 0.05 0.00 0.00 0.00 0.00 36.38 35.61 3ie0 s VAL 158 CO 0.07 0.28 0.15 -0.47 0.00 0.00 0.00 175.10 175.13 3ie0 s TYR 159 N 1.44 3.28 0.49 5.22 6.04 0.11 -0.23 117.35 133.70 3ie0 s TYR 159 Ca -0.02 -1.41 0.14 0.00 0.04 0.00 0.00 57.07 55.82 3ie0 s TYR 159 Cb -0.13 -2.44 1.18 0.00 -1.04 0.00 0.00 41.96 39.52 3ie0 s TYR 159 CO -0.03 -0.75 2.12 0.66 -1.54 0.00 0.00 175.55 176.01 3ie0 h SER 160 N 8.27 0.12 0.00 4.32 4.64 -1.49 0.91 113.55 130.32 3ie0 h SER 160 Ca -0.23 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3ie0 h SER 160 Cb 1.08 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 3ie0 h SER 160 CO 0.64 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 177.29 3ie0 n GLY 161 N -1.53 0.81 3.73 -0.77 0.00 -1.26 -4.10 105.19 102.07 3ie0 n GLY 161 Ca -0.01 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 3ie0 n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ie0 s ASP 162 N -4.00 6.65 -0.18 1.61 -0.00 -1.26 -4.37 116.67 115.12 3ie0 s ASP 162 Ca 0.00 0.77 -0.14 0.00 -0.00 0.00 0.00 52.55 53.18 3ie0 s ASP 162 Cb 0.00 -2.26 -0.05 0.00 -0.00 0.00 0.00 42.92 40.61 3ie0 s ASP 162 CO 0.00 0.05 0.29 -0.76 -0.00 0.00 0.00 175.17 174.75 3ie0 s LEU 163 N 0.44 4.21 0.99 1.23 1.02 -1.26 -4.53 118.68 120.77 3ie0 s LEU 163 Ca 0.24 0.44 -0.15 0.00 0.02 0.00 0.00 54.13 54.67 3ie0 s LEU 163 Cb -0.15 -2.35 0.19 0.00 0.02 0.00 0.00 46.19 43.90 3ie0 s LEU 163 CO 0.09 0.06 1.21 -0.83 0.02 0.00 0.00 176.35 176.91 3ie0 s GLY 164 N 0.65 1.66 -0.64 -3.19 0.00 -0.80 -1.46 107.32 103.55 3ie0 s GLY 164 Ca 0.15 -0.91 -0.24 0.00 0.00 0.00 0.00 44.72 43.72 3ie0 s GLY 164 CO 0.04 -0.20 1.01 0.21 0.00 0.00 0.00 173.10 174.16 3ie0 s ASN 165 N -4.42 6.21 0.41 1.64 3.04 -1.14 -3.23 114.94 117.45 3ie0 s ASN 165 Ca 0.69 -0.74 0.23 0.00 0.04 0.00 0.00 52.86 53.08 3ie0 s ASN 165 Cb -0.09 -2.44 1.28 0.00 -1.54 0.00 0.00 41.25 38.46 3ie0 s ASN 165 CO 0.53 -1.45 1.69 0.08 -3.04 0.00 0.00 177.10 174.92 3ie0 h ARG 166 N 9.57 0.00 -0.04 0.43 0.11 -1.90 -2.75 114.38 119.81 3ie0 h ARG 166 Ca -0.28 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.61 3ie0 h ARG 166 Cb 1.07 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.14 3ie0 h ARG 166 CO 1.17 0.00 -0.80 0.93 0.10 0.00 0.00 179.97 181.37 3ie0 h GLU 167 N 0.00 0.33 -6.97 0.08 5.08 -1.96 -3.46 114.58 107.68 3ie0 h GLU 167 Ca 0.00 -0.31 -0.44 0.00 -1.00 0.00 0.00 59.36 57.61 3ie0 h GLU 167 Cb 0.24 0.08 0.22 0.00 0.50 0.00 0.00 28.75 29.80 3ie0 h GLU 167 CO 0.00 0.98 -0.38 1.63 -1.00 0.00 0.00 179.01 180.24 3ie0 n LYS 168 N -3.77 -2.30 -0.05 2.33 5.02 -1.04 -4.88 118.16 113.47 3ie0 n LYS 168 Ca -0.04 -0.65 -0.02 0.00 -2.02 0.00 0.00 58.31 55.58 3ie0 n LYS 168 Cb 0.75 -2.00 -0.14 0.00 -0.02 0.00 0.00 35.03 33.62 3ie0 n LYS 168 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3ie0 n ASP 169 N -3.92 0.86 0.36 4.39 10.43 -1.26 -4.79 116.55 122.62 3ie0 n ASP 169 Ca 0.02 0.00 -0.18 0.00 2.57 0.00 0.00 54.79 57.20 3ie0 n ASP 169 Cb 0.57 1.25 -0.09 0.00 1.84 0.00 0.00 41.12 44.69 3ie0 n ASP 169 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3ie0 h VAL 170 N 0.00 0.33 -3.03 2.53 2.07 -1.96 -3.43 116.25 112.76 3ie0 h VAL 170 Ca -0.29 -0.06 -0.46 0.00 0.82 0.00 0.00 66.70 66.71 3ie0 h VAL 170 Cb 1.58 0.35 0.04 0.00 -1.52 0.00 0.00 31.29 31.74 3ie0 h VAL 170 CO 0.02 0.01 -0.01 -0.76 0.02 0.00 0.00 177.57 176.85 3ie0 s LEU 171 N -9.99 3.51 0.76 2.57 2.01 -1.26 -0.92 118.68 115.36 3ie0 s LEU 171 Ca -0.17 0.42 -0.12 0.00 0.01 0.00 0.00 54.13 54.27 3ie0 s LEU 171 Cb 0.03 -3.28 0.05 0.00 0.01 0.00 0.00 46.19 43.00 3ie0 s LEU 171 CO 0.60 -0.83 1.14 -2.16 1.01 0.00 0.00 176.35 176.11 3ie0 s PRO 172 N -4.70 2.38 0.36 1.29 0.04 -1.26 -4.31 135.00 128.80 3ie0 s PRO 172 Ca 0.50 0.31 -0.27 0.00 0.04 0.00 0.00 61.00 61.58 3ie0 s PRO 172 Cb -0.10 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 3ie0 s PRO 172 CO 0.40 -1.34 1.21 -0.51 0.04 0.00 0.00 177.00 176.80 3ie0 s ASP 173 N -4.43 6.67 0.43 6.66 1.01 -1.26 -4.29 116.67 121.47 3ie0 s ASP 173 Ca 0.60 2.47 -0.25 0.00 0.71 0.00 0.00 52.55 56.08 3ie0 s ASP 173 Cb -0.11 -2.63 -0.09 0.00 1.01 0.00 0.00 42.92 41.10 3ie0 s ASP 173 CO 0.51 -0.58 1.31 -2.65 0.21 0.00 0.00 175.17 173.97 3ie0 n PRO 174 N 0.45 2.00 -2.63 8.23 -0.02 -1.26 -4.70 135.00 137.06 3ie0 n PRO 174 Ca 0.02 0.71 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 3ie0 n PRO 174 Cb 0.45 -2.45 -0.04 0.00 -0.02 0.00 0.00 33.50 31.43 3ie0 n PRO 174 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ie0 s SER 175 N -0.53 6.69 0.62 2.55 0.15 0.14 -4.99 113.70 118.33 3ie0 s SER 175 Ca 0.61 1.50 -0.15 0.00 0.70 0.00 0.00 55.95 58.62 3ie0 s SER 175 Cb -0.49 -2.47 -0.02 0.00 -1.71 0.00 0.00 66.02 61.32 3ie0 s SER 175 CO 0.58 -0.47 1.06 -0.76 1.20 0.00 0.00 173.24 174.84 3ie0 s LEU 176 N -3.74 3.41 0.49 3.45 1.43 -1.26 -4.90 118.68 117.55 3ie0 s LEU 176 Ca 0.58 1.78 -0.04 0.00 -1.03 0.00 0.00 54.13 55.42 3ie0 s LEU 176 Cb -0.10 -4.53 -0.02 0.00 0.03 0.00 0.00 46.19 41.58 3ie0 s LEU 176 CO 0.26 -1.26 0.77 -2.16 0.23 0.00 0.00 176.35 174.19 3ie0 s PRO 177 N -4.29 3.29 0.77 1.29 0.04 -1.26 -5.01 135.00 129.83 3ie0 s PRO 177 Ca 0.62 -0.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.52 3ie0 s PRO 177 Cb -0.16 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 32.02 3ie0 s PRO 177 CO 0.41 -0.31 1.09 -1.25 0.04 0.00 0.00 177.00 176.98 3ie0 s PRO 178 N -4.73 2.31 0.16 0.56 0.04 -1.26 -4.95 135.00 127.13 3ie0 s PRO 178 Ca 0.48 0.70 -0.31 0.00 0.04 0.00 0.00 61.00 61.91 3ie0 s PRO 178 Cb -0.10 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 32.40 3ie0 s PRO 178 CO 0.43 -1.48 1.59 -1.17 0.04 0.00 0.00 177.00 176.41 3ie0 s LEU 179 N -5.71 4.37 0.18 -3.56 2.96 -1.26 -4.98 118.68 110.69 3ie0 s LEU 179 Ca 0.60 2.62 0.03 0.00 -0.22 0.00 0.00 54.13 57.16 3ie0 s LEU 179 Cb -0.14 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 3ie0 s LEU 179 CO 0.54 -0.85 -0.03 0.00 -1.32 0.00 0.00 176.35 174.70 3ie0 s ALA 180 N 1.34 1.52 0.11 5.97 0.00 -1.26 -4.96 121.76 124.48 3ie0 s ALA 180 Ca 0.71 -1.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 3ie0 s ALA 180 Cb -0.44 0.39 -0.18 0.00 0.00 0.00 0.00 23.12 22.89 3ie0 s ALA 180 CO 0.31 -0.24 1.23 -0.44 0.00 0.00 0.00 175.76 176.63 3ie0 h ASP 181 N 2.65 0.39 -3.63 0.00 5.19 -1.02 -3.40 116.42 116.60 3ie0 h ASP 181 Ca -0.37 -0.37 -0.19 0.00 -0.62 0.00 0.00 57.03 55.47 3ie0 h ASP 181 Cb 1.21 -0.12 -0.28 0.00 0.18 0.00 0.00 39.33 40.31 3ie0 h ASP 181 CO 0.64 1.24 -0.50 -0.22 -3.12 0.00 0.00 179.24 177.27 3ie0 s LEU 182 N -7.32 0.95 -0.19 1.55 2.96 -1.14 -4.08 118.68 111.42 3ie0 s LEU 182 Ca -0.04 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 3ie0 s LEU 182 Cb 0.08 0.65 0.03 0.00 0.50 0.00 0.00 46.19 47.45 3ie0 s LEU 182 CO 0.87 -0.11 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.93 3ie0 s VAL 183 N 0.56 1.99 -0.50 1.68 1.01 -1.00 -1.33 120.40 122.81 3ie0 s VAL 183 Ca -0.04 -1.03 -0.17 0.00 0.00 0.00 0.00 61.98 60.74 3ie0 s VAL 183 Cb -0.05 -1.88 0.08 0.00 0.00 0.00 0.00 36.38 34.53 3ie0 s VAL 183 CO -0.03 0.40 0.50 -0.22 0.00 0.00 0.00 175.10 175.76 3ie0 s LEU 184 N 1.29 5.45 0.23 3.92 2.96 0.68 -0.53 118.68 132.67 3ie0 s LEU 184 Ca 0.02 -1.24 0.11 0.00 -0.22 0.00 0.00 54.13 52.79 3ie0 s LEU 184 Cb -0.14 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 3ie0 s LEU 184 CO -0.11 -0.78 -0.20 0.00 -1.32 0.00 0.00 176.35 173.94 3ie0 s ALA 185 N 2.04 2.49 0.67 5.97 0.00 0.17 -1.37 121.76 131.72 3ie0 s ALA 185 Ca 0.08 -1.74 -0.09 0.00 0.00 0.00 0.00 51.96 50.21 3ie0 s ALA 185 Cb -0.23 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.68 3ie0 s ALA 185 CO 0.08 0.27 1.02 -1.83 0.00 0.00 0.00 175.76 175.30 3ie0 s GLU 186 N -3.25 2.67 -0.33 0.00 -1.05 -1.26 -0.71 118.70 114.78 3ie0 s GLU 186 Ca 0.25 0.12 0.15 0.00 -0.15 0.00 0.00 54.97 55.34 3ie0 s GLU 186 Cb -0.05 -2.13 0.43 0.00 -0.44 0.00 0.00 34.13 31.94 3ie0 s GLU 186 CO 0.11 -1.01 1.41 0.41 0.95 0.00 0.00 175.26 177.14 3ie0 n GLY 187 N -2.87 1.92 0.37 -3.83 0.00 -0.28 -4.83 105.19 95.67 3ie0 n GLY 187 Ca 0.06 -0.40 0.19 0.00 0.00 0.00 0.00 46.02 45.87 3ie0 n GLY 187 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3ie0 h THR 188 N 4.17 0.54 -2.18 2.61 2.02 -1.68 -2.21 112.91 116.17 3ie0 h THR 188 Ca -0.35 -0.18 -0.57 0.00 0.77 0.00 0.00 66.41 66.08 3ie0 h THR 188 Cb 1.29 -0.02 -0.41 0.00 -1.74 0.00 0.00 68.15 67.27 3ie0 h THR 188 CO -0.07 0.09 -0.79 -1.22 0.37 0.00 0.00 175.52 173.90 3ie0 n TYR 189 N -4.77 2.80 0.70 3.16 4.02 -1.26 -4.75 117.16 117.05 3ie0 n TYR 189 Ca 0.26 -3.96 0.13 0.00 -0.01 0.00 0.00 57.90 54.32 3ie0 n TYR 189 Cb 0.79 -0.48 0.30 0.00 -0.02 0.00 0.00 39.34 39.94 3ie0 n TYR 189 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3ie0 n GLY 190 N 0.23 -1.49 0.11 2.72 0.00 -0.83 -0.68 105.19 105.25 3ie0 n GLY 190 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3ie0 n GLY 190 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3ie0 h ASP 191 N 0.00 0.00 -5.18 1.61 -0.00 -1.85 -3.23 116.42 107.76 3ie0 h ASP 191 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 56.95 3ie0 h ASP 191 Cb 0.68 0.00 -0.13 0.00 -0.00 0.00 0.00 39.33 39.88 3ie0 h ASP 191 CO 0.00 0.59 -0.28 0.00 -0.00 0.00 0.00 179.24 179.55 3ie0 s ARG 192 N -2.91 1.03 0.51 4.15 1.70 -1.26 -4.98 118.95 117.19 3ie0 s ARG 192 Ca 0.00 -1.00 -0.03 0.00 -0.47 0.00 0.00 55.73 54.23 3ie0 s ARG 192 Cb 0.08 0.39 -0.00 0.00 -0.57 0.00 0.00 34.95 34.85 3ie0 s ARG 192 CO 0.78 -0.37 0.78 -1.25 -1.08 0.00 0.00 175.30 174.16 3ie0 s PRO 193 N -3.90 3.05 0.51 3.89 0.04 -1.26 -0.86 135.00 136.48 3ie0 s PRO 193 Ca 0.10 -0.22 -0.14 0.00 0.04 0.00 0.00 61.00 60.78 3ie0 s PRO 193 Cb 0.03 -2.42 -0.07 0.00 0.04 0.00 0.00 34.50 32.09 3ie0 s PRO 193 CO -0.06 -0.44 0.94 -1.01 0.04 0.00 0.00 177.00 176.47 3ie0 s HIS 194 N -2.75 3.49 0.20 0.56 3.76 -1.26 -4.84 115.29 114.44 3ie0 s HIS 194 Ca 0.50 1.32 -0.30 0.00 -0.15 0.00 0.00 55.06 56.44 3ie0 s HIS 194 Cb -0.10 -2.69 -0.08 0.00 1.11 0.00 0.00 32.58 30.82 3ie0 s HIS 194 CO 0.42 -0.36 1.20 0.50 -0.85 0.00 0.00 174.74 175.64 3ie0 s ARG 195 N -4.23 4.50 0.27 1.40 3.52 -1.26 -4.95 118.95 118.20 3ie0 s ARG 195 Ca 0.56 1.88 -0.27 0.00 -0.13 0.00 0.00 55.73 57.78 3ie0 s ARG 195 Cb -0.10 -3.23 -0.15 0.00 -1.56 0.00 0.00 34.95 29.91 3ie0 s ARG 195 CO 0.35 -0.07 0.68 -2.30 -0.81 0.00 0.00 175.30 173.15 3ie0 n PRO 196 N 2.34 0.56 -0.04 5.12 -0.02 -1.26 -3.71 135.00 137.99 3ie0 n PRO 196 Ca 0.04 0.20 -0.14 0.00 -2.02 0.00 0.00 63.50 61.58 3ie0 n PRO 196 Cb 0.44 -1.37 -0.08 0.00 -0.02 0.00 0.00 33.50 32.47 3ie0 n PRO 196 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3ie0 h TYR 197 N 1.29 0.36 -0.30 6.00 5.03 -1.90 -3.11 116.97 124.34 3ie0 h TYR 197 Ca -0.34 -0.13 0.06 0.00 2.58 0.00 0.00 58.73 60.90 3ie0 h TYR 197 Cb 1.40 -0.07 -0.05 0.00 1.55 0.00 0.00 36.73 39.56 3ie0 h TYR 197 CO 0.43 0.77 -0.03 0.00 -1.32 0.00 0.00 178.16 178.01 3ie0 h ARG 198 N -0.16 0.05 -0.05 1.82 3.08 -1.91 -1.33 114.38 115.88 3ie0 h ARG 198 Ca 0.01 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 3ie0 h ARG 198 Cb 0.75 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 3ie0 h ARG 198 CO 0.04 0.03 -0.28 1.05 -1.07 0.00 0.00 179.97 179.74 3ie0 h GLU 199 N 0.05 0.09 -0.27 0.04 4.11 -1.96 -2.08 114.58 114.56 3ie0 h GLU 199 Ca 0.14 -0.03 -0.16 0.00 0.07 0.00 0.00 59.36 59.39 3ie0 h GLU 199 Cb 0.21 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3ie0 h GLU 199 CO -0.27 0.37 -0.44 1.15 0.07 0.00 0.00 179.01 179.88 3ie0 h THR 200 N 0.08 1.29 -0.66 -1.06 2.02 -1.36 -1.62 112.91 111.61 3ie0 h THR 200 Ca 0.01 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.56 3ie0 h THR 200 Cb 0.54 1.68 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 3ie0 h THR 200 CO 0.04 0.53 0.42 0.58 0.37 0.00 0.00 175.52 177.45 3ie0 h VAL 201 N 0.52 1.18 0.18 3.16 2.07 -0.87 0.10 116.25 122.60 3ie0 h VAL 201 Ca 0.02 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3ie0 h VAL 201 Cb 1.04 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3ie0 h VAL 201 CO 0.10 0.18 -0.09 0.03 0.02 0.00 0.00 177.57 177.81 3ie0 h ARG 202 N 0.90 -0.23 -0.95 1.57 3.08 -1.30 -1.66 114.38 115.78 3ie0 h ARG 202 Ca 0.24 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.41 3ie0 h ARG 202 Cb -0.07 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 29.97 3ie0 h ARG 202 CO -0.05 -0.07 0.61 1.49 -1.07 0.00 0.00 179.97 180.88 3ie0 h GLU 203 N -0.35 0.94 -0.41 0.04 4.81 -0.96 -1.43 114.58 117.22 3ie0 h GLU 203 Ca -0.02 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3ie0 h GLU 203 Cb 0.27 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 3ie0 h GLU 203 CO 0.04 0.62 0.12 0.35 -0.73 0.00 0.00 179.01 179.41 3ie0 h PHE 204 N 0.97 0.21 -0.82 0.92 -0.00 -0.16 -1.82 116.94 116.24 3ie0 h PHE 204 Ca 0.45 0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 58.43 3ie0 h PHE 204 Cb 0.41 -0.03 -0.04 0.00 -0.00 0.00 0.00 35.95 36.29 3ie0 h PHE 204 CO -0.00 0.06 0.48 -0.07 -0.00 0.00 0.00 178.31 178.78 3ie0 h LEU 205 N 0.27 1.00 -0.21 0.59 3.38 -0.37 -1.66 115.31 118.31 3ie0 h LEU 205 Ca 0.19 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.10 3ie0 h LEU 205 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3ie0 h LEU 205 CO -0.22 0.78 0.09 -0.33 0.09 0.00 0.00 178.44 178.85 3ie0 h GLU 206 N 1.13 0.19 -0.90 1.13 5.08 -0.85 -1.50 114.58 118.85 3ie0 h GLU 206 Ca 0.29 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.69 3ie0 h GLU 206 Cb -0.01 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 3ie0 h GLU 206 CO -0.05 0.13 0.59 0.82 -1.00 0.00 0.00 179.01 179.50 3ie0 h ILE 207 N 0.20 1.09 -0.35 3.13 2.04 -0.87 -1.79 117.51 120.96 3ie0 h ILE 207 Ca 0.09 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 3ie0 h ILE 207 Cb 0.03 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.05 3ie0 h ILE 207 CO -0.07 0.19 -0.18 -0.07 0.00 0.00 0.00 178.15 178.02 3ie0 h LEU 208 N 1.06 0.77 -0.02 1.44 3.38 -0.67 -2.19 115.31 119.08 3ie0 h LEU 208 Ca 0.38 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3ie0 h LEU 208 Cb 0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3ie0 h LEU 208 CO -0.13 1.01 -0.01 -0.33 0.09 0.00 0.00 178.44 179.07 3ie0 h GLU 209 N 0.53 0.04 -0.49 1.13 5.08 -0.99 -0.70 114.58 119.18 3ie0 h GLU 209 Ca 0.08 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3ie0 h GLU 209 Cb 0.72 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 3ie0 h GLU 209 CO 0.05 0.43 0.22 -0.22 -1.00 0.00 0.00 179.01 178.49 3ie0 h LYS 210 N -0.34 0.42 -0.12 2.33 3.64 -1.39 0.13 116.57 121.24 3ie0 h LYS 210 Ca 0.01 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 3ie0 h LYS 210 Cb 0.41 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3ie0 h LYS 210 CO 0.00 0.28 -0.20 1.15 -2.27 0.00 0.00 179.45 178.41 3ie0 h THR 211 N 0.43 1.37 -0.05 1.00 2.02 -1.41 -2.90 112.91 113.38 3ie0 h THR 211 Ca 0.22 -1.44 -0.17 0.00 0.77 0.00 0.00 66.41 65.80 3ie0 h THR 211 Cb 0.17 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 3ie0 h THR 211 CO -0.18 0.42 -0.71 -0.07 0.37 0.00 0.00 175.52 175.35 3ie0 h LEU 212 N -0.06 0.31 -1.22 2.58 3.38 -1.04 0.68 115.31 119.95 3ie0 h LEU 212 Ca 0.01 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 3ie0 h LEU 212 Cb 0.77 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3ie0 h LEU 212 CO 0.05 0.92 -0.10 0.28 0.09 0.00 0.00 178.44 179.67 3ie0 h SER 213 N 0.18 0.39 -0.12 -0.43 0.02 -0.80 -2.01 113.55 110.79 3ie0 h SER 213 Ca -0.02 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3ie0 h SER 213 Cb 1.26 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3ie0 h SER 213 CO 0.11 0.54 0.00 0.00 -1.14 0.00 0.00 176.83 176.34 3ie0 n GLN 214 N -4.24 1.56 -1.53 3.45 10.64 -1.09 -4.90 117.38 121.28 3ie0 n GLN 214 Ca 0.00 -0.85 0.00 0.00 -1.83 0.00 0.00 57.00 54.33 3ie0 n GLN 214 Cb 0.29 -1.38 0.00 0.00 -0.86 0.00 0.00 30.24 28.29 3ie0 n GLN 214 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3ie0 n GLY 215 N 1.06 0.40 3.97 2.61 0.00 -0.75 -5.01 105.19 107.46 3ie0 n GLY 215 Ca 0.16 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 3ie0 n GLY 215 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie0 s GLY 216 N -2.98 2.01 -0.13 -0.02 0.00 0.24 -3.56 107.32 102.87 3ie0 s GLY 216 Ca 0.00 -1.74 -0.06 0.00 0.00 0.00 0.00 44.72 42.92 3ie0 s GLY 216 CO 0.00 -1.56 0.10 0.54 0.00 0.00 0.00 173.10 172.18 3ie0 s LYS 217 N -4.29 3.46 -0.39 2.90 1.02 -1.26 -2.97 119.74 118.21 3ie0 s LYS 217 Ca 0.53 -0.23 -0.08 0.00 0.02 0.00 0.00 55.97 56.21 3ie0 s LYS 217 Cb -0.08 -3.12 0.06 0.00 -0.52 0.00 0.00 37.83 34.17 3ie0 s LYS 217 CO 0.31 0.66 0.21 0.08 -0.92 0.00 0.00 175.35 175.69 3ie0 s VAL 218 N -0.70 4.11 -0.26 3.17 1.01 -0.51 -1.42 120.40 125.79 3ie0 s VAL 218 Ca 0.13 -1.28 -0.17 0.00 0.00 0.00 0.00 61.98 60.66 3ie0 s VAL 218 Cb -0.12 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 3ie0 s VAL 218 CO 0.03 -0.39 0.47 -0.76 0.00 0.00 0.00 175.10 174.45 3ie0 s LEU 219 N 1.42 4.05 -0.42 3.92 1.02 -0.47 -0.28 118.68 127.93 3ie0 s LEU 219 Ca 0.02 0.45 0.04 0.00 0.02 0.00 0.00 54.13 54.65 3ie0 s LEU 219 Cb -0.21 -2.59 0.11 0.00 0.02 0.00 0.00 46.19 43.52 3ie0 s LEU 219 CO 0.03 -0.25 0.15 -0.63 0.02 0.00 0.00 176.35 175.66 3ie0 s ILE 220 N 2.23 2.27 0.16 -0.59 1.01 0.91 -1.35 121.20 125.84 3ie0 s ILE 220 Ca 0.19 -2.71 -0.31 0.00 0.00 0.00 0.00 60.65 57.82 3ie0 s ILE 220 Cb -0.16 -2.63 -0.10 0.00 0.01 0.00 0.00 42.46 39.59 3ie0 s ILE 220 CO 0.09 -0.70 1.51 -2.16 0.00 0.00 0.00 174.94 173.68 3ie0 s PRO 221 N 0.42 4.25 0.09 2.79 0.04 -1.26 -2.85 135.00 138.49 3ie0 s PRO 221 Ca 0.14 2.28 -0.10 0.00 0.04 0.00 0.00 61.00 63.36 3ie0 s PRO 221 Cb -0.22 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.15 3ie0 s PRO 221 CO -0.05 -0.54 0.23 0.95 0.04 0.00 0.00 177.00 177.63 3ie0 s THR 222 N 0.99 0.13 0.56 1.26 -4.23 0.12 -4.35 115.64 110.11 3ie0 s THR 222 Ca 0.67 -1.04 -0.14 0.00 -1.18 0.00 0.00 61.69 60.01 3ie0 s THR 222 Cb -0.42 -1.28 -0.06 0.00 1.34 0.00 0.00 72.50 72.08 3ie0 s THR 222 CO 0.32 -0.58 0.99 -0.36 -0.54 0.00 0.00 174.62 174.46 3ie0 s PHE 223 N -3.77 3.53 -0.27 3.99 2.99 -1.26 -2.94 117.98 120.25 3ie0 s PHE 223 Ca 0.04 1.36 0.21 0.00 0.00 0.00 0.00 56.93 58.54 3ie0 s PHE 223 Cb 0.04 -2.74 0.07 0.00 0.00 0.00 0.00 43.02 40.39 3ie0 s PHE 223 CO -0.11 -0.50 1.18 0.00 -0.00 0.00 0.00 175.22 175.80 3ie0 h ALA 224 N 0.37 0.65 0.21 5.36 0.00 -1.95 -2.64 119.26 121.26 3ie0 h ALA 224 Ca -0.46 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.01 3ie0 h ALA 224 Cb 1.19 0.03 0.04 0.00 0.00 0.00 0.00 17.79 19.04 3ie0 h ALA 224 CO 0.62 0.15 -1.37 0.28 0.00 0.00 0.00 179.25 178.93 3ie0 h VAL 225 N 0.00 1.30 0.00 0.00 2.07 -1.94 -3.39 116.25 114.29 3ie0 h VAL 225 Ca -0.02 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.88 3ie0 h VAL 225 Cb 1.09 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.83 3ie0 h VAL 225 CO 0.01 0.79 0.00 1.21 0.02 0.00 0.00 177.57 179.59 3ie0 n GLU 226 N -3.77 0.00 -0.07 1.57 0.00 -1.26 -4.86 120.64 112.25 3ie0 n GLU 226 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 57.16 56.90 3ie0 n GLU 226 Cb 1.05 -0.46 -0.03 0.00 0.00 0.00 0.00 31.44 32.01 3ie0 n GLU 226 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 3ie0 h ARG 227 N 0.00 0.35 0.10 5.31 9.65 -1.87 -1.67 114.38 126.25 3ie0 h ARG 227 Ca 0.00 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 3ie0 h ARG 227 Cb 0.00 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.46 3ie0 h ARG 227 CO 0.00 0.29 -0.51 0.00 2.80 0.00 0.00 179.97 182.56 3ie0 h ALA 228 N 1.03 -0.98 0.00 2.80 0.00 -1.75 -0.83 119.26 119.54 3ie0 h ALA 228 Ca 0.09 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ie0 h ALA 228 Cb 0.04 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3ie0 h ALA 228 CO -0.02 -1.10 -0.02 -0.56 0.00 0.00 0.00 179.25 177.55 3ie0 h GLN 229 N -0.71 0.00 -0.19 0.00 -0.00 -1.85 -1.18 115.11 111.17 3ie0 h GLN 229 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.50 3ie0 h GLN 229 Cb 0.72 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.19 3ie0 h GLN 229 CO -0.28 0.02 -0.50 1.49 -0.00 0.00 0.00 178.83 179.56 3ie0 h GLU 230 N 0.00 0.53 -0.37 0.06 4.81 -0.21 -1.38 114.58 118.01 3ie0 h GLU 230 Ca -0.00 -0.31 -0.10 0.00 -0.13 0.00 0.00 59.36 58.82 3ie0 h GLU 230 Cb 0.05 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 3ie0 h GLU 230 CO 0.00 0.90 -0.17 0.82 -0.73 0.00 0.00 179.01 179.83 3ie0 h ILE 231 N 0.42 1.26 -0.70 2.32 1.08 -0.00 -2.72 117.51 119.17 3ie0 h ILE 231 Ca 0.02 -1.23 -0.05 0.00 -0.39 0.00 0.00 64.86 63.21 3ie0 h ILE 231 Cb 1.02 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 35.90 3ie0 h ILE 231 CO 0.09 0.41 0.24 -0.07 -0.69 0.00 0.00 178.15 178.13 3ie0 h LEU 232 N 0.62 1.00 -1.16 1.44 3.38 -1.06 -0.32 115.31 119.21 3ie0 h LEU 232 Ca 0.10 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3ie0 h LEU 232 Cb 0.64 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 3ie0 h LEU 232 CO 0.05 0.93 0.57 0.22 0.09 0.00 0.00 178.44 180.29 3ie0 h TYR 233 N 1.01 1.07 -0.04 1.13 3.20 -1.02 0.33 116.97 122.65 3ie0 h TYR 233 Ca 0.23 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.99 3ie0 h TYR 233 Cb 0.27 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.16 3ie0 h TYR 233 CO 0.02 0.67 -0.58 0.28 -1.64 0.00 0.00 178.16 176.91 3ie0 h VAL 234 N 1.15 1.39 0.00 1.81 2.07 -1.10 -1.35 116.25 120.23 3ie0 h VAL 234 Ca 0.32 -1.94 -0.08 0.00 0.82 0.00 0.00 66.70 65.81 3ie0 h VAL 234 Cb -0.11 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3ie0 h VAL 234 CO -0.07 0.57 -0.39 -0.07 0.02 0.00 0.00 177.57 177.63 3ie0 h LEU 235 N 0.11 0.00 0.19 2.57 3.38 0.23 -2.99 115.31 118.79 3ie0 h LEU 235 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 3ie0 h LEU 235 Cb 1.05 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.83 3ie0 h LEU 235 CO 0.08 0.39 -1.36 0.22 0.09 0.00 0.00 178.44 177.86 3ie0 h TYR 236 N 0.00 1.00 -0.01 1.13 3.20 0.12 0.07 116.97 122.49 3ie0 h TYR 236 Ca -0.00 -0.68 0.00 0.00 3.14 0.00 0.00 58.73 61.18 3ie0 h TYR 236 Cb 1.10 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.31 3ie0 h TYR 236 CO 0.00 1.52 -0.03 0.25 -1.64 0.00 0.00 178.16 178.26 3ie0 n THR 237 N -3.76 0.00 -0.25 1.81 -2.24 -0.56 -3.89 114.28 105.39 3ie0 n THR 237 Ca -0.15 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3ie0 n THR 237 Cb 1.05 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3ie0 n THR 237 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3ie0 n HIS 238 N -0.55 0.00 0.11 4.78 8.25 -1.13 -4.78 115.22 121.90 3ie0 n HIS 238 Ca 0.20 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.72 3ie0 n HIS 238 Cb 0.24 0.00 0.33 0.00 1.12 0.00 0.00 29.99 31.69 3ie0 n HIS 238 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ie0 n GLY 239 N 0.21 -0.64 0.20 -1.41 0.00 0.01 -1.06 105.19 102.49 3ie0 n GLY 239 Ca 0.00 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.18 3ie0 n GLY 239 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3ie0 h HIS 240 N 0.00 0.00 -0.41 1.61 2.07 -1.84 -2.79 115.15 113.79 3ie0 h HIS 240 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3ie0 h HIS 240 Cb 0.27 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.25 3ie0 h HIS 240 CO 0.00 0.34 0.00 2.89 -3.07 0.00 0.00 177.93 178.09 3ie0 n ARG 241 N -3.84 2.55 -4.18 5.12 1.85 -0.23 -4.97 116.66 112.96 3ie0 n ARG 241 Ca -0.01 -2.14 -0.34 0.00 -1.00 0.00 0.00 57.85 54.36 3ie0 n ARG 241 Cb 0.42 -1.37 -0.08 0.00 -1.05 0.00 0.00 32.46 30.38 3ie0 n ARG 241 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3ie0 s LEU 242 N -1.05 3.83 0.53 2.89 1.43 -1.06 -5.00 118.68 120.24 3ie0 s LEU 242 Ca 0.30 0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 53.37 3ie0 s LEU 242 Cb 0.16 -2.04 -0.06 0.00 0.03 0.00 0.00 46.19 44.28 3ie0 s LEU 242 CO 0.22 0.34 1.27 -0.81 0.23 0.00 0.00 176.35 177.60 3ie0 n PRO 243 N 1.70 1.62 -1.92 1.29 -0.04 -1.26 -4.89 135.00 131.48 3ie0 n PRO 243 Ca -0.16 0.59 -0.42 0.00 -0.04 0.00 0.00 63.50 63.47 3ie0 n PRO 243 Cb 0.53 -2.46 -0.03 0.00 -0.04 0.00 0.00 33.50 31.50 3ie0 n PRO 243 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3ie0 s ARG 244 N -2.70 4.21 -0.19 0.54 0.52 -1.26 -4.98 118.95 115.09 3ie0 s ARG 244 Ca 0.70 2.38 -0.29 0.00 -0.52 0.00 0.00 55.73 57.99 3ie0 s ARG 244 Cb -0.44 -3.14 0.13 0.00 0.52 0.00 0.00 34.95 32.02 3ie0 s ARG 244 CO 0.51 -0.60 1.04 0.00 0.02 0.00 0.00 175.30 176.27 3ie0 s ALA 245 N 1.02 -1.96 0.46 2.13 0.00 -1.26 -4.96 121.76 117.19 3ie0 s ALA 245 Ca 0.69 1.65 -0.23 0.00 0.00 0.00 0.00 51.96 54.07 3ie0 s ALA 245 Cb -0.44 -0.89 -0.07 0.00 0.00 0.00 0.00 23.12 21.72 3ie0 s ALA 245 CO 0.33 -0.29 1.20 -1.25 0.00 0.00 0.00 175.76 175.75 3ie0 s PRO 246 N -0.92 3.73 -0.39 0.00 0.04 -1.26 -4.79 135.00 131.41 3ie0 s PRO 246 Ca -0.00 1.86 -0.02 0.00 0.04 0.00 0.00 61.00 62.88 3ie0 s PRO 246 Cb -0.01 -2.44 0.10 0.00 0.04 0.00 0.00 34.50 32.19 3ie0 s PRO 246 CO -0.00 -0.60 0.16 0.42 0.04 0.00 0.00 177.00 177.01 3ie0 s ILE 247 N -1.48 3.15 -0.45 0.56 1.01 -0.74 -2.14 121.20 121.10 3ie0 s ILE 247 Ca 0.63 -1.98 -0.22 0.00 0.00 0.00 0.00 60.65 59.08 3ie0 s ILE 247 Cb -0.31 -3.12 0.03 0.00 0.01 0.00 0.00 42.46 39.07 3ie0 s ILE 247 CO 0.38 -0.60 0.71 -0.31 0.00 0.00 0.00 174.94 175.12 3ie0 s TYR 248 N 1.13 3.03 -0.87 3.97 1.51 0.12 -0.81 117.35 125.43 3ie0 s TYR 248 Ca 0.07 0.04 -0.21 0.00 -1.01 0.00 0.00 57.07 55.95 3ie0 s TYR 248 Cb -0.22 -3.51 0.09 0.00 -0.11 0.00 0.00 41.96 38.22 3ie0 s TYR 248 CO -0.04 -0.93 1.16 -1.17 -1.11 0.00 0.00 175.55 173.45 3ie0 s LEU 249 N 3.05 4.49 -0.58 -1.29 2.96 0.80 -1.48 118.68 126.63 3ie0 s LEU 249 Ca 0.26 -1.58 -0.07 0.00 -0.22 0.00 0.00 54.13 52.52 3ie0 s LEU 249 Cb -0.13 -2.45 -0.14 0.00 0.50 0.00 0.00 46.19 43.98 3ie0 s LEU 249 CO 0.21 -1.29 3.22 -0.67 -1.32 0.00 0.00 176.35 176.50 3ie0 n ASP 250 N 7.44 6.53 -3.44 3.68 2.03 0.13 -1.61 116.55 131.32 3ie0 n ASP 250 Ca 0.18 -2.69 -0.16 0.00 0.52 0.00 0.00 54.79 52.64 3ie0 n ASP 250 Cb 0.49 -1.42 -0.11 0.00 -0.72 0.00 0.00 41.12 39.36 3ie0 n ASP 250 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3ie0 s SER 251 N 1.61 1.25 0.19 1.67 0.15 -1.26 -4.58 113.70 112.74 3ie0 s SER 251 Ca 0.65 -0.29 -0.12 0.00 0.70 0.00 0.00 55.95 56.89 3ie0 s SER 251 Cb 0.29 0.56 0.16 0.00 -1.71 0.00 0.00 66.02 65.32 3ie0 s SER 251 CO -0.06 -0.34 1.81 -0.65 1.20 0.00 0.00 173.24 175.20 3ie0 h PRO 252 N 8.27 0.63 -0.69 5.44 0.11 -1.85 -0.02 132.00 143.90 3ie0 h PRO 252 Ca -0.16 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.90 3ie0 h PRO 252 Cb 1.13 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.06 3ie0 h PRO 252 CO 0.30 0.42 0.42 1.98 -0.21 0.00 0.00 178.00 180.91 3ie0 h MET 253 N 0.65 0.94 0.00 1.05 1.85 -1.95 0.17 114.93 117.63 3ie0 h MET 253 Ca 0.25 -0.08 -0.03 0.00 -0.61 0.00 0.00 59.70 59.23 3ie0 h MET 253 Cb 0.09 -0.20 -0.00 0.00 0.43 0.00 0.00 31.60 31.91 3ie0 h MET 253 CO -0.13 0.66 -0.14 0.00 -0.40 0.00 0.00 176.91 176.90 3ie0 h ALA 254 N 1.22 1.72 0.76 0.39 0.00 -1.58 -1.35 119.26 120.41 3ie0 h ALA 254 Ca 0.25 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3ie0 h ALA 254 Cb -0.04 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.73 3ie0 h ALA 254 CO -0.05 0.17 -0.36 0.78 0.00 0.00 0.00 179.25 179.79 3ie0 h GLY 255 N 0.44 -1.06 -0.30 0.00 0.00 0.12 -0.76 103.07 101.51 3ie0 h GLY 255 Ca -0.00 0.39 0.25 0.00 0.00 0.00 0.00 47.33 47.97 3ie0 h GLY 255 CO 0.02 -0.39 0.46 3.21 0.00 0.00 0.00 176.54 179.85 3ie0 h ARG 256 N -1.15 0.39 0.30 4.80 3.08 -0.57 0.11 114.38 121.34 3ie0 h ARG 256 Ca -0.10 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 3ie0 h ARG 256 Cb 0.78 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3ie0 h ARG 256 CO 0.17 0.26 -0.14 0.28 -1.07 0.00 0.00 179.97 179.47 3ie0 h VAL 257 N 0.40 0.73 -0.79 2.04 2.07 -1.15 -2.80 116.25 116.75 3ie0 h VAL 257 Ca 0.62 -0.46 0.14 0.00 0.82 0.00 0.00 66.70 67.82 3ie0 h VAL 257 Cb 1.25 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 31.91 3ie0 h VAL 257 CO -0.55 0.09 0.36 0.25 0.02 0.00 0.00 177.57 177.74 3ie0 h LEU 258 N -0.65 0.38 -1.62 2.57 5.85 0.51 0.88 115.31 123.22 3ie0 h LEU 258 Ca -0.04 0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.92 3ie0 h LEU 258 Cb 0.46 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 3ie0 h LEU 258 CO 0.07 0.15 0.47 0.28 -0.34 0.00 0.00 178.44 179.07 3ie0 h SER 259 N 0.52 0.36 1.72 1.25 0.02 -0.76 -1.85 113.55 114.80 3ie0 h SER 259 Ca 0.43 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.35 3ie0 h SER 259 Cb 0.63 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 3ie0 h SER 259 CO -0.38 0.19 -0.28 0.25 -1.14 0.00 0.00 176.83 175.47 3ie0 h LEU 260 N 0.39 0.00 -1.54 5.07 5.85 -0.57 -3.37 115.31 121.14 3ie0 h LEU 260 Ca 0.34 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.23 3ie0 h LEU 260 Cb 0.78 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 3ie0 h LEU 260 CO -0.10 0.24 0.54 1.88 -0.34 0.00 0.00 178.44 180.66 3ie0 h TYR 261 N 0.00 0.52 0.00 1.25 0.99 -0.95 -0.59 116.97 118.19 3ie0 h TYR 261 Ca -0.01 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 3ie0 h TYR 261 Cb 1.19 -0.16 -0.00 0.00 1.00 0.00 0.00 36.73 38.75 3ie0 h TYR 261 CO 0.00 0.18 -0.15 -1.35 -0.00 0.00 0.00 178.16 176.84 3ie0 h PRO 262 N 0.42 0.00 0.00 4.88 0.11 -1.75 -0.88 132.00 134.78 3ie0 h PRO 262 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 3ie0 h PRO 262 Cb 0.96 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 3ie0 h PRO 262 CO -0.14 0.15 0.00 0.54 -0.21 0.00 0.00 178.00 178.33 3ie0 n ARG 263 N -3.42 0.31 -0.07 1.05 1.74 -0.23 -3.58 116.66 112.45 3ie0 n ARG 263 Ca -0.01 0.03 0.04 0.00 -0.77 0.00 0.00 57.85 57.15 3ie0 n ARG 263 Cb 0.33 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.35 3ie0 n ARG 263 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3ie0 n LEU 264 N -1.33 2.34 -0.32 0.55 4.32 -0.35 -4.86 117.00 117.35 3ie0 n LEU 264 Ca 0.12 -2.43 0.29 0.00 -0.02 0.00 0.00 56.01 53.97 3ie0 n LEU 264 Cb 0.24 -0.20 0.55 0.00 -1.62 0.00 0.00 43.42 42.39 3ie0 n LEU 264 CO 0.22 0.60 1.06 1.62 -1.22 0.00 0.00 177.39 179.67 3ie0 h VAL 265 N 0.33 0.06 0.00 4.08 3.04 -1.58 0.44 116.25 122.62 3ie0 h VAL 265 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 3ie0 h VAL 265 Cb 0.75 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.02 3ie0 h VAL 265 CO 0.02 0.01 0.00 0.08 -1.01 0.00 0.00 177.57 176.67 3ie0 h ARG 266 N 0.06 0.00 -0.06 4.17 0.11 -1.92 -2.70 114.38 114.05 3ie0 h ARG 266 Ca 0.81 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.89 3ie0 h ARG 266 Cb 2.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.15 3ie0 h ARG 266 CO -0.75 0.00 0.00 0.66 0.10 0.00 0.00 179.97 179.98 3ie0 n TYR 267 N -3.04 0.08 -4.20 4.08 4.01 0.16 -4.87 117.16 113.37 3ie0 n TYR 267 Ca -0.01 -0.04 -0.27 0.00 -0.16 0.00 0.00 57.90 57.42 3ie0 n TYR 267 Cb 0.22 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.19 3ie0 n TYR 267 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3ie0 s PHE 268 N -1.92 2.16 1.11 -0.72 0.08 -1.02 -4.30 117.98 113.37 3ie0 s PHE 268 Ca 0.09 -0.74 -0.12 0.00 0.12 0.00 0.00 56.93 56.27 3ie0 s PHE 268 Cb 0.04 -1.87 0.25 0.00 -0.57 0.00 0.00 43.02 40.88 3ie0 s PHE 268 CO 0.07 0.00 1.05 -1.54 -0.10 0.00 0.00 175.22 174.70 3ie0 s SER 269 N -4.01 1.45 0.17 1.36 1.04 -0.10 -4.59 113.70 109.02 3ie0 s SER 269 Ca 0.31 1.59 -0.14 0.00 0.48 0.00 0.00 55.95 58.19 3ie0 s SER 269 Cb 0.02 -2.30 0.05 0.00 0.10 0.00 0.00 66.02 63.89 3ie0 s SER 269 CO 0.18 -3.92 1.80 -0.33 0.98 0.00 0.00 173.24 171.95 3ie0 h GLU 270 N -2.43 0.70 -0.07 4.02 4.39 -1.91 0.05 114.58 119.33 3ie0 h GLU 270 Ca -0.58 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.10 3ie0 h GLU 270 Cb 1.32 -0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.77 3ie0 h GLU 270 CO 0.50 0.51 -0.37 1.49 -1.16 0.00 0.00 179.01 179.98 3ie0 h GLU 271 N 0.69 -0.46 -0.68 2.33 4.81 -1.91 0.17 114.58 119.53 3ie0 h GLU 271 Ca 0.18 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 3ie0 h GLU 271 Cb -0.01 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 3ie0 h GLU 271 CO -0.03 -0.31 0.33 0.28 -0.73 0.00 0.00 179.01 178.55 3ie0 h VAL 272 N -0.48 1.22 -0.06 0.32 2.07 -1.74 -2.36 116.25 115.21 3ie0 h VAL 272 Ca 0.07 -0.60 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 3ie0 h VAL 272 Cb 0.60 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3ie0 h VAL 272 CO -0.34 0.25 -0.44 1.56 0.02 0.00 0.00 177.57 178.63 3ie0 h GLN 273 N 0.96 0.14 -0.66 1.57 4.20 -0.16 -2.64 115.11 118.52 3ie0 h GLN 273 Ca 0.24 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.83 3ie0 h GLN 273 Cb 0.09 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3ie0 h GLN 273 CO -0.03 0.56 0.21 0.00 -0.67 0.00 0.00 178.83 178.90 3ie0 h ALA 274 N 1.44 0.87 -0.89 3.87 0.00 -0.16 -1.94 119.26 122.44 3ie0 h ALA 274 Ca 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3ie0 h ALA 274 Cb 0.83 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3ie0 h ALA 274 CO 0.06 0.54 0.48 0.45 0.00 0.00 0.00 179.25 180.78 3ie0 h HIS 275 N 0.96 1.23 0.00 0.00 3.86 -1.21 -2.09 115.15 117.90 3ie0 h HIS 275 Ca 0.21 -0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.31 3ie0 h HIS 275 Cb 0.29 -0.39 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3ie0 h HIS 275 CO 0.02 0.86 -0.39 0.74 0.86 0.00 0.00 177.93 180.02 3ie0 h PHE 276 N 1.25 0.00 -0.22 2.45 0.04 -1.12 -2.69 116.94 116.65 3ie0 h PHE 276 Ca 0.31 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.97 3ie0 h PHE 276 Cb 0.04 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 3ie0 h PHE 276 CO 0.01 0.39 -0.35 1.25 -0.60 0.00 0.00 178.31 179.01 3ie0 h LEU 277 N 0.00 0.48 0.00 1.54 5.85 -0.69 -1.20 115.31 121.29 3ie0 h LEU 277 Ca -0.00 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3ie0 h LEU 277 Cb 0.73 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3ie0 h LEU 277 CO 0.05 0.79 0.00 0.00 -0.34 0.00 0.00 178.44 178.94 3ie0 n GLN 278 N -4.06 0.37 -0.85 1.25 1.13 -1.00 -4.81 117.38 109.41 3ie0 n GLN 278 Ca -0.01 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 3ie0 n GLN 278 Cb 0.47 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.32 3ie0 n GLN 278 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ie0 n GLY 279 N -0.17 0.54 3.43 1.08 0.00 -0.45 -5.05 105.19 104.55 3ie0 n GLY 279 Ca 0.09 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 3ie0 n GLY 279 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ie0 s LYS 280 N -0.72 1.89 -0.52 1.61 1.02 -1.09 -5.03 119.74 116.91 3ie0 s LYS 280 Ca 0.00 -1.08 -0.17 0.00 0.02 0.00 0.00 55.97 54.73 3ie0 s LYS 280 Cb 0.00 -2.10 0.08 0.00 -0.52 0.00 0.00 37.83 35.29 3ie0 s LYS 280 CO 0.00 0.52 0.55 1.21 -0.92 0.00 0.00 175.35 176.70 3ie0 s ASN 281 N -1.56 6.19 0.00 2.83 3.84 -1.26 -3.48 114.94 121.50 3ie0 s ASN 281 Ca 0.14 -1.26 0.06 0.00 0.21 0.00 0.00 52.86 52.01 3ie0 s ASN 281 Cb -0.10 -2.25 0.36 0.00 -0.55 0.00 0.00 41.25 38.71 3ie0 s ASN 281 CO 0.05 -0.85 0.90 -0.81 -2.79 0.00 0.00 177.10 173.60 3ie0 n PRO 282 N 5.76 0.60 -0.14 0.43 -0.04 -1.26 -2.63 135.00 137.71 3ie0 n PRO 282 Ca -0.10 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.44 3ie0 n PRO 282 Cb 0.44 -1.16 0.16 0.00 -0.04 0.00 0.00 33.50 32.89 3ie0 n PRO 282 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3ie0 n PHE 283 N -0.66 0.38 -3.80 0.54 3.72 -1.26 -4.02 117.46 112.35 3ie0 n PHE 283 Ca 0.05 -0.27 -0.29 0.00 -0.05 0.00 0.00 57.45 56.89 3ie0 n PHE 283 Cb 0.02 -0.01 -0.13 0.00 -0.94 0.00 0.00 39.48 38.43 3ie0 n PHE 283 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3ie0 s ARG 284 N -1.18 1.84 0.67 -1.08 0.52 -1.08 -4.66 118.95 113.96 3ie0 s ARG 284 Ca 0.28 -2.66 -0.14 0.00 -0.52 0.00 0.00 55.73 52.68 3ie0 s ARG 284 Cb 0.16 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.78 3ie0 s ARG 284 CO 0.22 -1.22 1.10 -1.25 0.02 0.00 0.00 175.30 174.17 3ie0 s PRO 285 N -0.50 2.79 0.22 3.54 0.04 -1.26 -4.93 135.00 134.91 3ie0 s PRO 285 Ca 0.22 1.34 -0.32 0.00 0.04 0.00 0.00 61.00 62.28 3ie0 s PRO 285 Cb -0.14 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.32 3ie0 s PRO 285 CO -0.08 -1.25 1.53 0.00 0.04 0.00 0.00 177.00 177.24 3ie0 n ALA 286 N -2.51 1.67 -0.03 8.56 0.00 -1.26 -2.06 120.51 124.88 3ie0 n ALA 286 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.95 3ie0 n ALA 286 Cb 0.52 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3ie0 n ALA 286 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie0 n GLY 287 N 2.72 0.53 3.67 0.00 0.00 -1.26 -4.76 105.19 106.09 3ie0 n GLY 287 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3ie0 n GLY 287 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3ie0 n LEU 288 N 0.00 3.67 -3.59 0.99 7.94 -0.87 -1.80 117.00 123.34 3ie0 n LEU 288 Ca 0.00 1.05 -0.07 0.00 -1.11 0.00 0.00 56.01 55.88 3ie0 n LEU 288 Cb 0.00 -1.45 -0.08 0.00 0.53 0.00 0.00 43.42 42.41 3ie0 n LEU 288 CO 0.00 -0.99 0.04 -0.70 -1.11 0.00 0.00 177.39 174.63 3ie0 s GLU 289 N -2.23 0.36 -0.14 1.96 2.56 0.01 -4.86 118.70 116.36 3ie0 s GLU 289 Ca 0.63 0.99 -0.21 0.00 0.00 0.00 0.00 54.97 56.39 3ie0 s GLU 289 Cb -0.51 0.26 -0.03 0.00 2.00 0.00 0.00 34.13 35.84 3ie0 s GLU 289 CO 0.56 -0.32 0.59 0.08 -0.56 0.00 0.00 175.26 175.61 3ie0 s VAL 290 N 2.64 5.09 -0.17 3.70 1.01 -1.26 -0.14 120.40 131.27 3ie0 s VAL 290 Ca 0.01 1.17 -0.12 0.00 0.00 0.00 0.00 61.98 63.05 3ie0 s VAL 290 Cb -0.13 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 3ie0 s VAL 290 CO -0.14 0.22 0.21 -0.69 0.00 0.00 0.00 175.10 174.71 3ie0 s VAL 291 N 1.17 5.36 -0.22 2.92 1.01 -0.63 -4.93 120.40 125.07 3ie0 s VAL 291 Ca 0.30 0.37 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 3ie0 s VAL 291 Cb -0.16 -3.54 -0.14 0.00 0.00 0.00 0.00 36.38 32.53 3ie0 s VAL 291 CO 0.12 0.44 -0.04 -0.62 0.00 0.00 0.00 175.10 175.01 3ie0 n GLU 292 N 3.30 0.56 -4.28 2.72 -0.58 -1.26 -3.86 120.64 117.25 3ie0 n GLU 292 Ca -0.15 0.45 -0.24 0.00 -0.42 0.00 0.00 57.16 56.81 3ie0 n GLU 292 Cb 0.52 -1.64 -0.08 0.00 -0.57 0.00 0.00 31.44 29.67 3ie0 n GLU 292 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3ie0 s HIS 293 N -2.43 2.59 0.16 -0.32 3.76 -1.26 -4.73 115.29 113.06 3ie0 s HIS 293 Ca -0.31 -0.41 -0.22 0.00 -0.15 0.00 0.00 55.06 53.97 3ie0 s HIS 293 Cb 0.08 -1.51 0.05 0.00 1.11 0.00 0.00 32.58 32.31 3ie0 s HIS 293 CO 0.51 0.45 1.61 1.15 -0.85 0.00 0.00 174.74 177.61 3ie0 h THR 294 N 1.75 0.30 -0.75 1.30 2.02 -1.97 -1.80 112.91 113.75 3ie0 h THR 294 Ca -0.43 0.00 0.15 0.00 0.77 0.00 0.00 66.41 66.90 3ie0 h THR 294 Cb 1.25 0.30 -0.14 0.00 -1.74 0.00 0.00 68.15 67.82 3ie0 h THR 294 CO 0.66 0.00 -0.17 -0.33 0.37 0.00 0.00 175.52 176.05 3ie0 h GLU 295 N -0.25 0.01 -0.08 6.66 3.07 -1.99 0.57 114.58 122.57 3ie0 h GLU 295 Ca 0.16 -0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.82 3ie0 h GLU 295 Cb 0.51 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.41 3ie0 h GLU 295 CO -0.48 0.01 -0.78 0.00 -1.40 0.00 0.00 179.01 176.36 3ie0 h ALA 296 N 1.75 0.49 -0.69 3.43 0.00 -1.94 -2.71 119.26 119.59 3ie0 h ALA 296 Ca 0.37 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3ie0 h ALA 296 Cb 0.57 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3ie0 h ALA 296 CO -0.76 0.75 0.27 1.03 0.00 0.00 0.00 179.25 180.54 3ie0 h SER 297 N 0.33 0.96 0.41 0.00 0.87 0.05 -2.12 113.55 114.05 3ie0 h SER 297 Ca -0.04 -0.17 -0.09 0.00 -1.23 0.00 0.00 61.79 60.25 3ie0 h SER 297 Cb 1.37 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 3ie0 h SER 297 CO 0.14 0.87 -0.44 0.11 -0.53 0.00 0.00 176.83 176.98 3ie0 h LYS 298 N 0.99 0.03 -0.93 2.24 1.79 -0.00 -2.92 116.57 117.77 3ie0 h LYS 298 Ca 0.23 -0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.76 3ie0 h LYS 298 Cb 0.22 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.80 3ie0 h LYS 298 CO -0.02 0.47 0.60 0.00 -1.08 0.00 0.00 179.45 179.42 3ie0 h ALA 299 N 1.53 1.52 -0.21 3.86 0.00 -1.05 -1.46 119.26 123.46 3ie0 h ALA 299 Ca -0.00 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3ie0 h ALA 299 Cb 0.79 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3ie0 h ALA 299 CO 0.06 0.33 0.18 -0.07 0.00 0.00 0.00 179.25 179.75 3ie0 h LEU 300 N 1.03 0.00 -0.89 0.00 3.38 -1.37 -1.22 115.31 116.24 3ie0 h LEU 300 Ca 0.41 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.29 3ie0 h LEU 300 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3ie0 h LEU 300 CO -0.16 0.00 -0.11 0.78 0.09 0.00 0.00 178.44 179.04 3ie0 h ASN 301 N 0.00 0.69 0.88 -0.43 2.35 -1.41 -3.17 115.58 114.48 3ie0 h ASN 301 Ca 0.10 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 3ie0 h ASN 301 Cb 0.46 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.64 3ie0 h ASN 301 CO -0.00 0.83 -1.16 0.54 -1.65 0.00 0.00 177.43 175.98 3ie0 n ARG 302 N -4.18 0.61 -2.56 0.81 1.74 -0.56 -4.90 116.66 107.63 3ie0 n ARG 302 Ca 0.01 0.16 -0.35 0.00 -0.77 0.00 0.00 57.85 56.90 3ie0 n ARG 302 Cb 0.35 -1.82 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 3ie0 n ARG 302 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie0 s ALA 303 N -3.20 2.95 0.65 7.54 0.00 -0.64 -5.04 121.76 124.02 3ie0 s ALA 303 Ca -0.01 0.63 -0.08 0.00 0.00 0.00 0.00 51.96 52.50 3ie0 s ALA 303 Cb 0.09 -3.25 0.02 0.00 0.00 0.00 0.00 23.12 19.98 3ie0 s ALA 303 CO 0.80 -0.26 0.99 -1.25 0.00 0.00 0.00 175.76 176.04 3ie0 s PRO 304 N -2.99 2.70 0.64 0.00 0.04 -1.26 -4.94 135.00 129.20 3ie0 s PRO 304 Ca 0.64 0.06 -0.11 0.00 0.04 0.00 0.00 61.00 61.63 3ie0 s PRO 304 Cb -0.18 -2.17 0.15 0.00 0.04 0.00 0.00 34.50 32.34 3ie0 s PRO 304 CO 0.22 -0.94 0.84 0.41 0.04 0.00 0.00 177.00 177.57 3ie0 n GLY 305 N -2.79 -1.50 3.82 0.56 0.00 -1.23 -4.81 105.19 99.23 3ie0 n GLY 305 Ca 0.06 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.07 3ie0 n GLY 305 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ie0 s PRO 306 N -4.84 4.03 -0.06 1.61 0.04 -1.25 -4.81 135.00 129.71 3ie0 s PRO 306 Ca 0.48 1.15 -0.31 0.00 0.04 0.00 0.00 61.00 62.36 3ie0 s PRO 306 Cb -0.02 -2.14 0.11 0.00 0.04 0.00 0.00 34.50 32.50 3ie0 s PRO 306 CO 0.34 -0.21 1.07 0.00 0.04 0.00 0.00 177.00 178.24 3ie0 s MET 307 N -3.40 0.61 -0.10 4.56 0.23 -1.16 -4.30 119.30 115.75 3ie0 s MET 307 Ca 0.63 -0.25 0.02 0.00 -1.03 0.00 0.00 55.69 55.05 3ie0 s MET 307 Cb -0.11 0.26 0.01 0.00 -1.53 0.00 0.00 34.83 33.46 3ie0 s MET 307 CO 0.19 -0.27 -0.15 0.08 -2.03 0.00 0.00 175.02 172.84 3ie0 s VAL 308 N -2.78 1.48 -0.14 5.16 1.01 -0.91 -1.43 120.40 122.79 3ie0 s VAL 308 Ca 0.09 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3ie0 s VAL 308 Cb -0.00 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 35.05 3ie0 s VAL 308 CO -0.05 0.43 -0.20 -0.69 0.00 0.00 0.00 175.10 174.59 3ie0 s VAL 309 N 0.86 1.92 -0.17 2.92 1.01 0.62 -0.70 120.40 126.86 3ie0 s VAL 309 Ca -0.09 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 60.96 3ie0 s VAL 309 Cb -0.15 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3ie0 s VAL 309 CO 0.01 0.52 -0.03 -0.76 0.00 0.00 0.00 175.10 174.83 3ie0 s LEU 310 N 0.96 3.20 0.11 3.92 1.02 -0.55 -0.06 118.68 127.27 3ie0 s LEU 310 Ca -0.04 -0.17 -0.20 0.00 0.02 0.00 0.00 54.13 53.73 3ie0 s LEU 310 Cb -0.15 -1.78 0.05 0.00 0.02 0.00 0.00 46.19 44.33 3ie0 s LEU 310 CO -0.04 0.14 0.50 0.00 0.02 0.00 0.00 176.35 176.97 3ie0 s ALA 311 N 0.56 -1.27 0.51 4.21 0.00 -1.13 0.20 121.76 124.84 3ie0 s ALA 311 Ca -0.03 0.35 0.08 0.00 0.00 0.00 0.00 51.96 52.36 3ie0 s ALA 311 Cb -0.14 0.63 0.04 0.00 0.00 0.00 0.00 23.12 23.65 3ie0 s ALA 311 CO 0.03 -0.63 0.59 0.20 0.00 0.00 0.00 175.76 175.95 3ie0 s GLY 312 N -2.47 1.99 0.48 0.00 0.00 -1.23 0.13 107.32 106.22 3ie0 s GLY 312 Ca -0.01 -1.81 -0.19 0.00 0.00 0.00 0.00 44.72 42.71 3ie0 s GLY 312 CO -0.08 -1.72 0.98 -0.56 0.00 0.00 0.00 173.10 171.72 3ie0 s SER 313 N -4.42 6.67 0.28 1.64 0.01 0.16 -1.19 113.70 116.85 3ie0 s SER 313 Ca 0.52 1.69 0.16 0.00 1.31 0.00 0.00 55.95 59.63 3ie0 s SER 313 Cb -0.05 -2.53 0.89 0.00 0.21 0.00 0.00 66.02 64.54 3ie0 s SER 313 CO 0.32 -0.55 1.47 0.61 0.41 0.00 0.00 173.24 175.49 3ie0 n GLY 314 N -0.91 -0.74 0.10 3.44 0.00 -1.15 -1.20 105.19 104.72 3ie0 n GLY 314 Ca 0.07 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.33 3ie0 n GLY 314 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3ie0 n MET 315 N -2.09 1.31 -1.69 1.61 2.81 -1.26 -4.61 117.12 113.20 3ie0 n MET 315 Ca -0.01 -2.37 -0.21 0.00 -1.81 0.00 0.00 57.70 53.30 3ie0 n MET 315 Cb 0.11 -1.38 -0.08 0.00 -0.71 0.00 0.00 33.22 31.16 3ie0 n MET 315 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3ie0 n LEU 316 N -1.26 -1.55 0.00 4.03 4.77 -0.34 -4.60 117.00 118.05 3ie0 n LEU 316 Ca 0.14 0.45 0.03 0.00 -0.03 0.00 0.00 56.01 56.60 3ie0 n LEU 316 Cb 0.61 -2.84 0.15 0.00 -2.33 0.00 0.00 43.42 39.01 3ie0 n LEU 316 CO 0.01 -0.98 0.61 0.00 -1.33 0.00 0.00 177.39 175.70 3ie0 n ALA 317 N 0.97 1.33 0.00 -1.18 0.00 -1.26 -4.88 120.51 115.48 3ie0 n ALA 317 Ca -0.21 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3ie0 n ALA 317 Cb 0.68 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3ie0 n ALA 317 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ie0 n GLY 318 N -0.76 0.11 0.00 0.00 0.00 -1.26 -5.01 105.19 98.27 3ie0 n GLY 318 Ca 0.02 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3ie0 n GLY 318 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ie0 n GLY 319 N 0.00 1.57 0.53 -0.02 0.00 -1.26 0.38 105.19 106.39 3ie0 n GLY 319 Ca 0.00 -1.97 0.34 0.00 0.00 0.00 0.00 46.02 44.39 3ie0 n GLY 319 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ie0 h ARG 320 N 0.00 0.00 -0.71 1.61 -0.00 -1.86 -2.07 114.38 111.35 3ie0 h ARG 320 Ca 0.00 0.00 0.02 0.00 -0.50 0.00 0.00 59.98 59.50 3ie0 h ARG 320 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 29.97 29.93 3ie0 h ARG 320 CO 0.00 0.00 0.47 0.97 0.00 0.00 0.00 179.97 181.41 3ie0 h ILE 321 N 0.00 1.15 -0.38 2.04 6.09 -1.41 -2.21 117.51 122.79 3ie0 h ILE 321 Ca 0.54 -0.32 0.07 0.00 -1.37 0.00 0.00 64.86 63.79 3ie0 h ILE 321 Cb 2.32 0.15 -0.02 0.00 0.47 0.00 0.00 36.82 39.74 3ie0 h ILE 321 CO -0.01 0.17 0.26 -0.07 -3.07 0.00 0.00 178.15 175.43 3ie0 h LEU 322 N 0.92 0.19 -0.66 2.19 3.38 -1.61 0.12 115.31 119.83 3ie0 h LEU 322 Ca 0.27 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 3ie0 h LEU 322 Cb -0.04 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3ie0 h LEU 322 CO -0.07 0.12 -0.65 0.45 0.09 0.00 0.00 178.44 178.38 3ie0 h HIS 323 N 0.22 0.00 -0.00 1.13 3.86 -1.58 -1.12 115.15 117.65 3ie0 h HIS 323 Ca 0.17 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.29 3ie0 h HIS 323 Cb 0.41 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.88 3ie0 h HIS 323 CO -0.00 0.65 -0.35 0.45 0.86 0.00 0.00 177.93 179.54 3ie0 h HIS 324 N 0.00 0.36 -0.53 2.45 3.86 -0.99 -3.19 115.15 117.10 3ie0 h HIS 324 Ca -0.01 -0.19 0.03 0.00 -1.16 0.00 0.00 60.37 59.04 3ie0 h HIS 324 Cb 1.18 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.57 3ie0 h HIS 324 CO 0.00 1.00 0.31 -0.07 0.86 0.00 0.00 177.93 180.03 3ie0 h LEU 325 N -0.38 0.49 -0.34 2.43 4.07 -1.15 0.59 115.31 121.02 3ie0 h LEU 325 Ca -0.04 0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.00 3ie0 h LEU 325 Cb 1.09 -0.09 -0.08 0.00 1.08 0.00 0.00 40.66 42.66 3ie0 h LEU 325 CO 0.07 0.34 -0.18 0.50 -1.08 0.00 0.00 178.44 178.10 3ie0 h LYS 326 N 0.61 -0.12 -0.00 1.13 3.64 -1.27 0.20 116.57 120.76 3ie0 h LYS 326 Ca 0.22 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3ie0 h LYS 326 Cb 0.04 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3ie0 h LYS 326 CO -0.11 -0.08 -0.42 0.72 -2.27 0.00 0.00 179.45 177.29 3ie0 n HIS 327 N -5.35 0.00 -0.02 1.91 8.25 -1.12 -4.31 115.22 114.57 3ie0 n HIS 327 Ca 0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.48 3ie0 n HIS 327 Cb 0.26 -0.28 -0.08 0.00 1.12 0.00 0.00 29.99 31.01 3ie0 n HIS 327 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ie0 n GLY 328 N 1.49 -0.48 0.31 -1.41 0.00 0.18 -4.55 105.19 100.73 3ie0 n GLY 328 Ca 0.06 -0.21 0.21 0.00 0.00 0.00 0.00 46.02 46.08 3ie0 n GLY 328 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3ie0 h LEU 329 N 0.00 0.00 0.00 0.99 4.07 -0.80 -2.64 115.31 116.93 3ie0 h LEU 329 Ca -0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.84 3ie0 h LEU 329 Cb 1.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.74 3ie0 h LEU 329 CO 0.01 0.00 -0.34 0.77 -1.08 0.00 0.00 178.44 177.80 3ie0 h SER 330 N 0.00 0.00 -3.52 -0.43 4.64 -1.79 0.13 113.55 112.58 3ie0 h SER 330 Ca 0.00 -0.03 -0.61 0.00 -0.47 0.00 0.00 61.79 60.68 3ie0 h SER 330 Cb 0.14 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.11 3ie0 h SER 330 CO 0.00 0.02 0.10 -0.62 -0.87 0.00 0.00 176.83 175.45 3ie0 s ASP 331 N -5.41 6.51 0.27 4.97 3.68 -1.00 -4.36 116.67 121.33 3ie0 s ASP 331 Ca 0.06 0.59 0.19 0.00 2.13 0.00 0.00 52.55 55.52 3ie0 s ASP 331 Cb 0.09 -2.32 0.99 0.00 -1.45 0.00 0.00 42.92 40.23 3ie0 s ASP 331 CO 0.69 -0.36 1.58 -0.81 0.13 0.00 0.00 175.17 176.41 3ie0 n PRO 332 N 5.68 0.13 0.21 4.34 -0.04 -1.26 -2.13 135.00 141.93 3ie0 n PRO 332 Ca -0.02 0.58 0.13 0.00 -0.04 0.00 0.00 63.50 64.15 3ie0 n PRO 332 Cb 0.49 -1.88 0.28 0.00 -0.04 0.00 0.00 33.50 32.35 3ie0 n PRO 332 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ie0 h ARG 333 N 0.00 0.00 -7.41 0.54 3.08 -1.92 -3.41 114.38 105.26 3ie0 h ARG 333 Ca 0.00 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.59 3ie0 h ARG 333 Cb 0.06 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.19 3ie0 h ARG 333 CO 0.00 0.00 0.30 -0.80 -1.07 0.00 0.00 179.97 178.40 3ie0 s ASN 334 N -5.90 4.78 -0.05 7.04 0.01 -0.90 -4.35 114.94 115.57 3ie0 s ASN 334 Ca 0.07 0.62 -0.03 0.00 -0.71 0.00 0.00 52.86 52.81 3ie0 s ASN 334 Cb 0.06 -1.24 0.03 0.00 0.41 0.00 0.00 41.25 40.52 3ie0 s ASN 334 CO 0.64 -1.66 0.12 0.00 -1.51 0.00 0.00 177.10 174.68 3ie0 s ALA 335 N -3.35 -0.21 -0.18 0.60 0.00 -0.51 -1.50 121.76 116.60 3ie0 s ALA 335 Ca 0.60 0.54 -0.08 0.00 0.00 0.00 0.00 51.96 53.02 3ie0 s ALA 335 Cb -0.11 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 3ie0 s ALA 335 CO 0.47 -0.13 0.08 -1.17 0.00 0.00 0.00 175.76 175.01 3ie0 s LEU 336 N 0.90 3.95 -0.24 0.00 0.20 0.19 -1.37 118.68 122.32 3ie0 s LEU 336 Ca -0.07 0.15 -0.00 0.00 0.69 0.00 0.00 54.13 54.90 3ie0 s LEU 336 Cb -0.09 -2.00 0.07 0.00 -0.43 0.00 0.00 46.19 43.73 3ie0 s LEU 336 CO -0.04 0.20 -0.01 -0.69 -0.29 0.00 0.00 176.35 175.52 3ie0 s VAL 337 N 0.21 1.29 -0.04 1.68 1.01 -0.46 -0.85 120.40 123.24 3ie0 s VAL 337 Ca 0.06 -1.16 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 3ie0 s VAL 337 Cb -0.12 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3ie0 s VAL 337 CO -0.00 -0.21 0.77 -0.36 0.00 0.00 0.00 175.10 175.29 3ie0 s PHE 338 N 1.49 3.61 -0.08 5.22 0.08 -0.55 -3.98 117.98 123.76 3ie0 s PHE 338 Ca -0.02 1.36 0.12 0.00 0.12 0.00 0.00 56.93 58.51 3ie0 s PHE 338 Cb -0.18 -2.87 0.18 0.00 -0.57 0.00 0.00 43.02 39.58 3ie0 s PHE 338 CO -0.09 0.08 1.08 1.33 -0.10 0.00 0.00 175.22 177.52 3ie0 n VAL 339 N 3.74 1.47 -3.76 -0.44 0.24 -1.26 -1.24 118.33 117.07 3ie0 n VAL 339 Ca 0.00 -1.71 -0.11 0.00 -2.04 0.00 0.00 64.34 60.49 3ie0 n VAL 339 Cb 0.51 0.05 -0.07 0.00 -1.47 0.00 0.00 33.84 32.86 3ie0 n VAL 339 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3ie0 s GLY 340 N -2.16 -0.08 0.20 7.63 0.00 -1.26 -4.24 107.32 107.41 3ie0 s GLY 340 Ca 0.20 -0.18 -0.32 0.00 0.00 0.00 0.00 44.72 44.43 3ie0 s GLY 340 CO 0.02 -0.40 1.65 -0.47 0.00 0.00 0.00 173.10 173.90 3ie0 s TYR 341 N -3.11 2.95 -0.35 1.90 6.14 -1.26 -4.99 117.35 118.63 3ie0 s TYR 341 Ca -0.01 0.51 -0.11 0.00 0.64 0.00 0.00 57.07 58.10 3ie0 s TYR 341 Cb 0.01 -4.05 0.01 0.00 0.42 0.00 0.00 41.96 38.35 3ie0 s TYR 341 CO -0.07 -3.87 0.21 -0.65 0.64 0.00 0.00 175.55 171.81 3ie0 s GLN 342 N 0.93 3.09 1.06 4.97 -1.52 -1.26 -4.92 119.66 122.02 3ie0 s GLN 342 Ca 0.71 -0.90 -0.13 0.00 -1.95 0.00 0.00 55.36 53.09 3ie0 s GLN 342 Cb -0.47 -3.72 0.17 0.00 -0.22 0.00 0.00 33.01 28.76 3ie0 s GLN 342 CO 0.34 -0.58 0.70 -0.35 -0.25 0.00 0.00 175.29 175.14 3ie0 n PRO 343 N 5.03 -1.39 -2.17 2.91 -0.04 -1.26 -4.61 135.00 133.47 3ie0 n PRO 343 Ca -0.12 -0.37 -0.41 0.00 -0.04 0.00 0.00 63.50 62.56 3ie0 n PRO 343 Cb 0.48 -2.05 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 3ie0 n PRO 343 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 3ie0 s GLN 344 N -4.09 4.38 -0.73 0.54 0.00 -1.26 -3.24 119.66 115.25 3ie0 s GLN 344 Ca 0.63 2.12 0.00 0.00 -0.00 0.00 0.00 55.36 58.11 3ie0 s GLN 344 Cb -0.21 -3.15 0.00 0.00 0.00 0.00 0.00 33.01 29.65 3ie0 s GLN 344 CO 0.64 -0.24 0.00 0.41 0.00 0.00 0.00 175.29 176.11 3ie0 n GLY 345 N 1.89 0.89 4.00 2.60 0.00 -1.26 -5.02 105.19 108.29 3ie0 n GLY 345 Ca 0.04 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.44 3ie0 n GLY 345 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ie0 s GLY 346 N -2.67 1.91 0.59 -0.02 0.00 -1.20 -4.96 107.32 100.97 3ie0 s GLY 346 Ca 0.00 -1.65 0.29 0.00 0.00 0.00 0.00 44.72 43.37 3ie0 s GLY 346 CO 0.00 -1.48 2.22 -2.00 0.00 0.00 0.00 173.10 171.84 3ie0 h LEU 347 N 0.68 0.00 0.00 0.66 5.85 -1.90 -1.99 115.31 118.62 3ie0 h LEU 347 Ca -0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3ie0 h LEU 347 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3ie0 h LEU 347 CO 0.46 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.17 3ie0 n GLY 348 N -1.34 -2.73 0.34 3.75 0.00 -1.26 -2.13 105.19 101.81 3ie0 n GLY 348 Ca -0.02 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.28 3ie0 n GLY 348 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ie0 h ALA 349 N -2.00 2.10 -0.39 4.61 0.00 -1.70 0.33 119.26 122.21 3ie0 h ALA 349 Ca 0.00 0.22 0.07 0.00 0.00 0.00 0.00 54.91 55.20 3ie0 h ALA 349 Cb 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3ie0 h ALA 349 CO 0.00 -0.79 0.05 1.49 0.00 0.00 0.00 179.25 180.00 3ie0 h GLU 350 N 0.17 0.16 -0.38 0.00 4.81 -1.32 -0.94 114.58 117.08 3ie0 h GLU 350 Ca 0.79 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.88 3ie0 h GLU 350 Cb 1.98 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 31.31 3ie0 h GLU 350 CO -0.67 0.11 -0.27 0.82 -0.73 0.00 0.00 179.01 178.26 3ie0 h ILE 351 N 0.16 1.28 0.00 2.32 2.04 0.18 -2.71 117.51 120.78 3ie0 h ILE 351 Ca 0.19 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 3ie0 h ILE 351 Cb 0.25 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3ie0 h ILE 351 CO -0.28 0.47 -0.04 0.40 0.00 0.00 0.00 178.15 178.70 3ie0 h ILE 352 N 0.68 0.29 0.00 -0.67 2.04 -0.72 -0.16 117.51 118.97 3ie0 h ILE 352 Ca 0.08 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3ie0 h ILE 352 Cb 0.81 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 3ie0 h ILE 352 CO 0.07 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.26 3ie0 n ALA 353 N -2.19 2.35 -3.74 1.87 0.00 -0.43 -4.88 120.51 113.48 3ie0 n ALA 353 Ca -0.02 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.04 3ie0 n ALA 353 Cb 0.17 -1.24 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 3ie0 n ALA 353 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3ie0 n ARG 354 N -0.80 -3.76 -0.61 0.00 3.00 -0.07 -4.95 116.66 109.46 3ie0 n ARG 354 Ca 0.11 0.47 -0.29 0.00 -0.00 0.00 0.00 57.85 58.14 3ie0 n ARG 354 Cb 0.05 -5.23 0.26 0.00 0.00 0.00 0.00 32.46 27.54 3ie0 n ARG 354 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3ie0 s PRO 355 N -6.42 -1.39 0.37 -0.14 0.04 -1.26 -4.89 135.00 121.31 3ie0 s PRO 355 Ca 0.56 0.53 0.12 0.00 0.04 0.00 0.00 61.00 62.26 3ie0 s PRO 355 Cb -0.30 -1.52 0.71 0.00 0.04 0.00 0.00 34.50 33.43 3ie0 s PRO 355 CO 0.69 -3.95 1.82 -1.00 0.04 0.00 0.00 177.00 174.60 3ie0 h PRO 356 N -2.78 0.02 -3.40 0.56 0.13 -1.92 -3.43 132.00 121.18 3ie0 h PRO 356 Ca -0.56 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.52 3ie0 h PRO 356 Cb 1.34 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.41 3ie0 h PRO 356 CO 0.45 0.38 0.05 0.00 -0.23 0.00 0.00 178.00 178.66 3ie0 s ALA 357 N -4.22 -0.47 0.03 -0.56 0.00 -1.26 -2.45 121.76 112.84 3ie0 s ALA 357 Ca -0.03 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.06 3ie0 s ALA 357 Cb 0.14 0.94 -0.00 0.00 0.00 0.00 0.00 23.12 24.20 3ie0 s ALA 357 CO 0.73 -0.93 0.16 0.08 0.00 0.00 0.00 175.76 175.80 3ie0 s VAL 358 N -3.48 0.11 -0.39 0.00 1.01 -1.01 -4.88 120.40 111.75 3ie0 s VAL 358 Ca 0.19 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 3ie0 s VAL 358 Cb -0.03 -0.84 0.01 0.00 0.00 0.00 0.00 36.38 35.52 3ie0 s VAL 358 CO 0.11 -0.51 0.34 -0.60 0.00 0.00 0.00 175.10 174.44 3ie0 s ARG 359 N -2.40 3.17 -0.11 2.72 3.52 -1.26 0.01 118.95 124.60 3ie0 s ARG 359 Ca -0.06 -0.80 0.02 0.00 -0.13 0.00 0.00 55.73 54.76 3ie0 s ARG 359 Cb -0.02 -3.93 0.01 0.00 -1.56 0.00 0.00 34.95 29.46 3ie0 s ARG 359 CO -0.03 -0.71 -0.16 0.42 -0.81 0.00 0.00 175.30 174.01 3ie0 s ILE 360 N 1.87 1.57 -1.17 4.11 1.01 -0.29 -4.84 121.20 123.46 3ie0 s ILE 360 Ca 0.08 -0.70 -0.28 0.00 0.00 0.00 0.00 60.65 59.76 3ie0 s ILE 360 Cb -0.18 -1.42 0.02 0.00 0.01 0.00 0.00 42.46 40.89 3ie0 s ILE 360 CO 0.11 0.45 0.74 0.18 0.00 0.00 0.00 174.94 176.43 3ie0 n LEU 361 N 4.06 -1.59 -0.30 2.97 4.77 -1.26 -2.30 117.00 123.35 3ie0 n LEU 361 Ca -0.20 -1.15 -0.04 0.00 -0.03 0.00 0.00 56.01 54.59 3ie0 n LEU 361 Cb 0.51 -2.02 -0.02 0.00 -2.33 0.00 0.00 43.42 39.57 3ie0 n LEU 361 CO 0.25 0.64 -0.04 0.61 -1.33 0.00 0.00 177.39 177.52 3ie0 n GLY 362 N -1.88 0.60 3.14 -0.72 0.00 -1.26 -5.01 105.19 100.06 3ie0 n GLY 362 Ca -0.10 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 3ie0 n GLY 362 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie0 s GLU 363 N -1.70 0.58 -0.40 1.61 2.02 -0.97 -5.11 118.70 114.73 3ie0 s GLU 363 Ca 0.00 -0.53 -0.24 0.00 0.02 0.00 0.00 54.97 54.22 3ie0 s GLU 363 Cb 0.00 0.24 0.02 0.00 0.10 0.00 0.00 34.13 34.49 3ie0 s GLU 363 CO 0.00 -0.15 0.82 -2.00 0.02 0.00 0.00 175.26 173.95 3ie0 s GLU 364 N -2.00 3.65 -0.26 1.61 2.56 -1.26 -1.14 118.70 121.87 3ie0 s GLU 364 Ca -0.10 0.22 -0.03 0.00 0.00 0.00 0.00 54.97 55.06 3ie0 s GLU 364 Cb -0.04 -3.86 0.02 0.00 2.00 0.00 0.00 34.13 32.25 3ie0 s GLU 364 CO -0.01 -0.98 -0.03 0.54 -0.56 0.00 0.00 175.26 174.21 3ie0 s VAL 365 N 3.29 3.11 0.29 3.70 0.11 0.10 -4.92 120.40 126.08 3ie0 s VAL 365 Ca 0.33 -0.94 -0.27 0.00 -2.93 0.00 0.00 61.98 58.16 3ie0 s VAL 365 Cb -0.12 -2.58 -0.14 0.00 -1.53 0.00 0.00 36.38 32.01 3ie0 s VAL 365 CO 0.20 0.18 0.86 -2.65 -3.33 0.00 0.00 175.10 170.36 3ie0 n PRO 366 N 4.71 0.98 -3.54 1.54 -0.02 -1.26 -2.41 135.00 135.00 3ie0 n PRO 366 Ca -0.16 0.35 -0.41 0.00 -2.02 0.00 0.00 63.50 61.25 3ie0 n PRO 366 Cb 0.47 -1.64 -0.07 0.00 -0.02 0.00 0.00 33.50 32.25 3ie0 n PRO 366 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3ie0 s LEU 367 N 1.09 5.83 -0.11 2.45 2.96 -1.02 -3.30 118.68 126.58 3ie0 s LEU 367 Ca 0.60 -2.38 0.09 0.00 -0.22 0.00 0.00 54.13 52.22 3ie0 s LEU 367 Cb -0.74 -2.02 -0.13 0.00 0.50 0.00 0.00 46.19 43.81 3ie0 s LEU 367 CO 0.59 -0.57 0.03 0.54 -1.32 0.00 0.00 176.35 175.62 3ie0 n ARG 368 N 4.26 2.13 -1.25 1.98 1.74 0.25 -4.89 116.66 120.87 3ie0 n ARG 368 Ca 0.02 -0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.74 3ie0 n ARG 368 Cb 0.41 -1.28 0.07 0.00 -1.02 0.00 0.00 32.46 30.65 3ie0 n ARG 368 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ie0 n ALA 369 N -2.43 -1.34 -1.83 7.54 0.00 -0.03 -4.38 120.51 118.05 3ie0 n ALA 369 Ca -0.18 -0.25 -0.33 0.00 0.00 0.00 0.00 53.44 52.68 3ie0 n ALA 369 Cb 0.85 -1.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.33 3ie0 n ALA 369 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3ie0 s SER 370 N -1.52 6.92 0.05 0.00 1.04 -0.56 -4.86 113.70 114.76 3ie0 s SER 370 Ca 0.66 1.67 0.08 0.00 0.48 0.00 0.00 55.95 58.84 3ie0 s SER 370 Cb -0.34 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.21 3ie0 s SER 370 CO 0.57 -0.36 -0.20 -0.69 0.98 0.00 0.00 173.24 173.54 3ie0 s VAL 371 N -2.19 2.65 -0.05 5.02 1.01 -1.26 0.53 120.40 126.10 3ie0 s VAL 371 Ca 0.62 -1.26 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 3ie0 s VAL 371 Cb -0.09 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.20 3ie0 s VAL 371 CO 0.14 0.32 0.27 -1.00 0.00 0.00 0.00 175.10 174.83 3ie0 s HIS 372 N -0.92 -0.20 -0.20 5.22 3.76 -0.03 -4.91 115.29 118.02 3ie0 s HIS 372 Ca 0.14 0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 55.46 3ie0 s HIS 372 Cb -0.10 0.07 0.05 0.00 1.11 0.00 0.00 32.58 33.71 3ie0 s HIS 372 CO 0.05 -0.27 -0.05 0.99 -0.85 0.00 0.00 174.74 174.61 3ie0 s THR 373 N -0.69 1.27 -1.08 1.30 2.01 -1.26 -1.48 115.64 115.70 3ie0 s THR 373 Ca -0.08 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 3ie0 s THR 373 Cb -0.04 -1.51 0.30 0.00 0.01 0.00 0.00 72.50 71.26 3ie0 s THR 373 CO 0.02 -0.00 1.60 0.18 -0.69 0.00 0.00 174.62 175.73 3ie0 n LEU 374 N 4.79 6.70 -0.23 4.42 4.77 -0.37 -4.88 117.00 132.20 3ie0 n LEU 374 Ca -0.12 -5.22 0.32 0.00 -0.03 0.00 0.00 56.01 50.95 3ie0 n LEU 374 Cb 0.46 -1.26 0.70 0.00 -2.33 0.00 0.00 43.42 40.99 3ie0 n LEU 374 CO 0.17 1.77 1.29 1.23 -1.33 0.00 0.00 177.39 180.52 3ie0 h GLY 375 N 5.28 0.00 1.95 -0.72 0.00 -1.93 -0.61 103.07 107.03 3ie0 h GLY 375 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3ie0 h GLY 375 CO 1.32 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.47 3ie0 n GLY 376 N -1.70 -0.55 0.94 4.60 0.00 -1.24 -0.91 105.19 106.32 3ie0 n GLY 376 Ca 0.22 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.35 3ie0 n GLY 376 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3ie0 n PHE 377 N -1.47 0.32 -2.12 1.61 0.99 -0.24 -4.52 117.46 112.03 3ie0 n PHE 377 Ca 0.01 -0.16 -0.38 0.00 -0.00 0.00 0.00 57.45 56.91 3ie0 n PHE 377 Cb 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.50 3ie0 n PHE 377 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.76 177.47 3ie0 s TYR 378 N -1.68 2.81 0.26 1.38 4.12 -0.09 -4.75 117.35 119.41 3ie0 s TYR 378 Ca 0.35 1.47 -0.01 0.00 0.02 0.00 0.00 57.07 58.90 3ie0 s TYR 378 Cb 0.21 -3.56 0.35 0.00 -1.52 0.00 0.00 41.96 37.44 3ie0 s TYR 378 CO 0.30 -1.89 1.76 0.78 0.02 0.00 0.00 175.55 176.52 3ie0 h GLY 379 N 2.35 0.81 -2.15 0.71 0.00 -1.90 -3.44 103.07 99.45 3ie0 h GLY 379 Ca -0.50 -0.55 -0.47 0.00 0.00 0.00 0.00 47.33 45.82 3ie0 h GLY 379 CO 0.61 0.51 -0.27 0.30 0.00 0.00 0.00 176.54 177.69 3ie0 s HIS 380 N -4.92 2.45 0.02 5.60 3.76 -1.26 -2.90 115.29 118.03 3ie0 s HIS 380 Ca -0.09 -0.52 -0.30 0.00 -0.15 0.00 0.00 55.06 54.00 3ie0 s HIS 380 Cb 0.15 -2.25 -0.07 0.00 1.11 0.00 0.00 32.58 31.51 3ie0 s HIS 380 CO 0.81 -0.46 1.62 0.00 -0.85 0.00 0.00 174.74 175.85 3ie0 s ALA 381 N -2.47 3.64 1.06 -1.40 0.00 -0.54 -4.15 121.76 117.90 3ie0 s ALA 381 Ca 0.53 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 53.40 3ie0 s ALA 381 Cb -0.07 -3.70 0.22 0.00 0.00 0.00 0.00 23.12 19.58 3ie0 s ALA 381 CO 0.32 -1.17 1.14 0.20 0.00 0.00 0.00 175.76 176.25 3ie0 s GLY 382 N 2.65 1.60 0.23 0.00 0.00 -1.26 -4.49 107.32 106.05 3ie0 s GLY 382 Ca 0.72 -0.76 -0.09 0.00 0.00 0.00 0.00 44.72 44.60 3ie0 s GLY 382 CO 0.31 -0.03 1.65 -1.61 0.00 0.00 0.00 173.10 173.42 3ie0 h GLN 383 N -2.05 0.12 -0.78 2.90 4.15 0.11 0.12 115.11 119.68 3ie0 h GLN 383 Ca -0.48 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 3ie0 h GLN 383 Cb 1.30 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.93 3ie0 h GLN 383 CO 0.47 0.08 0.44 0.38 -1.93 0.00 0.00 178.83 178.27 3ie0 h ASP 384 N 0.12 0.96 -0.24 -0.69 -0.00 -1.88 -0.58 116.42 114.11 3ie0 h ASP 384 Ca 0.36 -0.09 -0.08 0.00 -0.00 0.00 0.00 57.03 57.23 3ie0 h ASP 384 Cb 0.61 -0.25 -0.02 0.00 -0.00 0.00 0.00 39.33 39.68 3ie0 h ASP 384 CO -0.58 0.77 -0.11 -0.33 -0.00 0.00 0.00 179.24 178.99 3ie0 h GLU 385 N 1.08 0.64 0.08 4.15 5.08 -1.55 -2.24 114.58 121.81 3ie0 h GLU 385 Ca 0.28 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3ie0 h GLU 385 Cb 0.01 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.20 3ie0 h GLU 385 CO -0.05 0.74 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.59 3ie0 h LEU 386 N 0.58 -0.09 -0.65 1.33 4.07 -0.12 -1.77 115.31 118.66 3ie0 h LEU 386 Ca 0.10 -0.04 0.09 0.00 0.08 0.00 0.00 57.88 58.11 3ie0 h LEU 386 Cb 0.54 0.02 -0.07 0.00 1.08 0.00 0.00 40.66 42.23 3ie0 h LEU 386 CO 0.03 -0.02 0.29 -0.07 -1.08 0.00 0.00 178.44 177.60 3ie0 h LEU 387 N -0.15 0.35 -0.66 1.67 3.38 -0.81 -0.51 115.31 118.58 3ie0 h LEU 387 Ca -0.01 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3ie0 h LEU 387 Cb 0.12 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3ie0 h LEU 387 CO 0.02 0.21 0.15 0.44 0.09 0.00 0.00 178.44 179.35 3ie0 h ASP 388 N 0.51 1.00 -0.17 -0.43 3.45 -1.16 -0.16 116.42 119.47 3ie0 h ASP 388 Ca 0.32 -0.24 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 3ie0 h ASP 388 Cb 0.35 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 3ie0 h ASP 388 CO -0.27 0.98 0.01 -0.25 -1.57 0.00 0.00 179.24 178.13 3ie0 h TRP 389 N 0.98 0.31 0.00 4.55 7.01 -0.85 -2.94 115.95 125.01 3ie0 h TRP 389 Ca 0.21 -0.05 0.00 0.00 2.11 0.00 0.00 58.89 61.15 3ie0 h TRP 389 Cb 0.37 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.35 3ie0 h TRP 389 CO 0.03 0.49 0.00 -0.07 -2.79 0.00 0.00 178.44 176.10 3ie0 h LEU 390 N 0.04 0.00 -9.29 0.65 4.07 -1.00 -3.42 115.31 106.37 3ie0 h LEU 390 Ca 0.05 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.39 3ie0 h LEU 390 Cb 0.36 0.00 0.13 0.00 1.08 0.00 0.00 40.66 42.23 3ie0 h LEU 390 CO 0.01 0.00 -0.34 1.67 -1.08 0.00 0.00 178.44 178.70 3ie0 n GLN 391 N -2.50 0.61 -0.57 1.13 7.27 -0.08 -1.82 117.38 121.41 3ie0 n GLN 391 Ca 0.02 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.31 3ie0 n GLN 391 Cb 0.29 -1.47 0.00 0.00 2.41 0.00 0.00 30.24 31.47 3ie0 n GLN 391 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3ie0 n GLY 392 N 1.73 0.73 3.66 1.69 0.00 -1.26 -4.98 105.19 106.75 3ie0 n GLY 392 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3ie0 n GLY 392 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie0 s GLU 393 N -0.39 4.23 0.12 1.61 0.41 -0.76 -4.94 118.70 118.98 3ie0 s GLU 393 Ca 0.00 0.74 -0.26 0.00 -0.41 0.00 0.00 54.97 55.04 3ie0 s GLU 393 Cb 0.00 -3.58 -0.06 0.00 -1.78 0.00 0.00 34.13 28.71 3ie0 s GLU 393 CO 0.00 -0.29 1.64 -1.00 -0.49 0.00 0.00 175.26 175.12 3ie0 h PRO 394 N 7.47 -0.39 -6.32 0.39 0.13 -1.88 -3.44 132.00 127.96 3ie0 h PRO 394 Ca -0.30 0.03 -0.62 0.00 -0.87 0.00 0.00 66.00 64.23 3ie0 h PRO 394 Cb 1.14 0.09 -0.26 0.00 0.13 0.00 0.00 31.00 32.09 3ie0 h PRO 394 CO 0.80 -0.26 -0.86 1.03 -0.23 0.00 0.00 178.00 178.48 3ie0 s ARG 395 N -6.06 1.54 -0.09 0.86 0.52 -1.26 -1.59 118.95 112.87 3ie0 s ARG 395 Ca -0.15 -1.00 -0.04 0.00 -0.52 0.00 0.00 55.73 54.02 3ie0 s ARG 395 Cb 0.09 -1.67 0.05 0.00 0.52 0.00 0.00 34.95 33.93 3ie0 s ARG 395 CO 0.66 0.43 0.19 0.08 0.02 0.00 0.00 175.30 176.68 3ie0 s VAL 396 N -0.80 -0.26 -0.21 3.52 1.01 0.77 -2.39 120.40 122.05 3ie0 s VAL 396 Ca 0.09 0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 3ie0 s VAL 396 Cb -0.09 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 3ie0 s VAL 396 CO 0.02 0.13 0.06 -0.69 0.00 0.00 0.00 175.10 174.62 3ie0 s VAL 397 N 2.12 4.56 -0.19 2.92 1.01 0.30 -2.05 120.40 129.07 3ie0 s VAL 397 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 61.98 61.75 3ie0 s VAL 397 Cb -0.12 -3.08 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 3ie0 s VAL 397 CO -0.07 0.41 0.24 -0.76 0.00 0.00 0.00 175.10 174.93 3ie0 s LEU 398 N 0.83 4.20 0.00 3.92 1.02 -0.31 -0.66 118.68 127.68 3ie0 s LEU 398 Ca 0.03 0.37 0.04 0.00 0.02 0.00 0.00 54.13 54.59 3ie0 s LEU 398 Cb -0.14 -2.27 -0.01 0.00 0.02 0.00 0.00 46.19 43.79 3ie0 s LEU 398 CO 0.02 0.09 0.14 1.33 0.02 0.00 0.00 176.35 177.96 3ie0 n VAL 399 N 3.79 0.00 -3.15 -1.59 0.24 0.12 -2.06 118.33 115.67 3ie0 n VAL 399 Ca -0.13 -1.84 -0.21 0.00 -2.04 0.00 0.00 64.34 60.13 3ie0 n VAL 399 Cb 0.52 0.73 0.02 0.00 -1.47 0.00 0.00 33.84 33.64 3ie0 n VAL 399 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3ie0 n HIS 400 N -0.64 -2.95 0.00 6.34 -0.00 0.68 -2.47 115.22 116.18 3ie0 n HIS 400 Ca -0.01 1.22 0.00 0.00 -0.00 0.00 0.00 57.72 58.92 3ie0 n HIS 400 Cb 0.47 -2.87 0.00 0.00 -0.00 0.00 0.00 29.99 27.59 3ie0 n HIS 400 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3ie0 n GLY 401 N -0.07 3.60 3.76 1.57 0.00 -0.48 -1.12 105.19 112.45 3ie0 n GLY 401 Ca 0.01 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.91 3ie0 n GLY 401 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie0 s GLU 402 N -2.20 4.23 0.19 1.61 2.02 -1.26 -1.69 118.70 121.60 3ie0 s GLU 402 Ca 0.00 2.38 -0.17 0.00 0.02 0.00 0.00 54.97 57.21 3ie0 s GLU 402 Cb 0.00 -3.05 0.16 0.00 0.10 0.00 0.00 34.13 31.34 3ie0 s GLU 402 CO 0.00 -0.42 1.33 -1.91 0.02 0.00 0.00 175.26 174.28 3ie0 n GLU 403 N 1.49 -0.23 -0.31 1.61 2.13 -1.25 -0.34 120.64 123.75 3ie0 n GLU 403 Ca 0.04 1.32 0.01 0.00 0.66 0.00 0.00 57.16 59.19 3ie0 n GLU 403 Cb 0.40 -1.96 0.20 0.00 0.27 0.00 0.00 31.44 30.35 3ie0 n GLU 403 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 3ie0 h GLU 404 N 0.00 1.11 -0.42 5.31 3.07 -1.95 0.55 114.58 122.24 3ie0 h GLU 404 Ca 0.27 -0.07 -0.12 0.00 -0.50 0.00 0.00 59.36 58.95 3ie0 h GLU 404 Cb 0.49 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 3ie0 h GLU 404 CO -0.85 0.74 -0.19 0.87 -1.40 0.00 0.00 179.01 178.17 3ie0 h LYS 405 N 1.15 0.88 -0.16 2.33 1.79 -1.02 -2.06 116.57 119.47 3ie0 h LYS 405 Ca 0.35 -0.38 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3ie0 h LYS 405 Cb -0.01 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 3ie0 h LYS 405 CO -0.10 1.03 0.10 -0.07 -1.08 0.00 0.00 179.45 179.32 3ie0 h LEU 406 N 0.70 0.19 0.25 2.94 4.07 -0.13 -2.68 115.31 120.65 3ie0 h LEU 406 Ca 0.10 -0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.02 3ie0 h LEU 406 Cb 0.76 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 3ie0 h LEU 406 CO 0.06 0.17 -0.30 -0.07 -1.08 0.00 0.00 178.44 177.23 3ie0 h LEU 407 N 0.19 -0.81 -0.93 1.67 4.07 -0.81 0.15 115.31 118.85 3ie0 h LEU 407 Ca 0.06 0.08 0.26 0.00 0.08 0.00 0.00 57.88 58.36 3ie0 h LEU 407 Cb 0.02 0.28 -0.16 0.00 1.08 0.00 0.00 40.66 41.88 3ie0 h LEU 407 CO -0.01 -0.41 0.15 0.00 -1.08 0.00 0.00 178.44 177.08 3ie0 h ALA 408 N 0.01 1.26 -0.35 1.53 0.00 -1.29 1.44 119.26 121.86 3ie0 h ALA 408 Ca -0.00 0.28 -0.10 0.00 0.00 0.00 0.00 54.91 55.09 3ie0 h ALA 408 Cb 0.56 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3ie0 h ALA 408 CO -0.09 -0.55 -0.17 1.25 0.00 0.00 0.00 179.25 179.69 3ie0 h LEU 409 N 0.09 0.75 -0.18 0.00 6.46 -1.01 -3.07 115.31 118.35 3ie0 h LEU 409 Ca 0.59 -0.41 0.05 0.00 -0.12 0.00 0.00 57.88 57.99 3ie0 h LEU 409 Cb 1.23 -0.21 -0.05 0.00 -0.73 0.00 0.00 40.66 40.90 3ie0 h LEU 409 CO -0.79 0.99 -0.13 1.23 -0.62 0.00 0.00 178.44 179.12 3ie0 h GLY 410 N 0.51 0.00 -0.62 3.75 0.00 0.45 -0.53 103.07 106.64 3ie0 h GLY 410 Ca 0.08 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.64 3ie0 h GLY 410 CO 0.05 -0.14 -0.54 1.70 0.00 0.00 0.00 176.54 177.61 3ie0 h LYS 411 N -0.13 -0.23 -0.64 4.80 3.64 0.11 0.94 116.57 125.06 3ie0 h LYS 411 Ca 0.11 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 3ie0 h LYS 411 Cb 0.30 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.12 3ie0 h LYS 411 CO -0.26 -0.15 0.38 -0.07 -2.27 0.00 0.00 179.45 177.07 3ie0 h LEU 412 N -0.24 0.60 0.39 5.20 3.38 -1.41 0.11 115.31 123.34 3ie0 h LEU 412 Ca 0.13 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3ie0 h LEU 412 Cb 0.54 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3ie0 h LEU 412 CO -0.73 0.40 -0.23 -0.07 0.09 0.00 0.00 178.44 177.91 3ie0 h LEU 413 N 0.73 -0.57 -0.34 1.67 3.38 0.81 -1.47 115.31 119.52 3ie0 h LEU 413 Ca 0.27 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.34 3ie0 h LEU 413 Cb 0.09 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 3ie0 h LEU 413 CO -0.14 -0.37 -0.39 0.00 0.09 0.00 0.00 178.44 177.63 3ie0 h ALA 414 N -0.01 -0.38 0.00 1.53 0.00 0.12 0.42 119.26 120.95 3ie0 h ALA 414 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ie0 h ALA 414 Cb 0.48 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3ie0 h ALA 414 CO 0.05 -0.83 0.00 1.28 0.00 0.00 0.00 179.25 179.75 3ie0 n LEU 415 N -5.42 0.41 -0.57 0.00 4.77 0.35 -1.01 117.00 115.53 3ie0 n LEU 415 Ca -0.01 0.69 0.13 0.00 -0.03 0.00 0.00 56.01 56.79 3ie0 n LEU 415 Cb 0.35 -0.74 0.35 0.00 -2.33 0.00 0.00 43.42 41.05 3ie0 n LEU 415 CO 0.07 -0.82 0.73 -1.14 -1.33 0.00 0.00 177.39 174.90 3ie0 n ARG 416 N -2.05 1.67 -0.42 3.23 0.63 0.14 -4.90 116.66 114.96 3ie0 n ARG 416 Ca -0.01 -1.15 0.00 0.00 -0.92 0.00 0.00 57.85 55.78 3ie0 n ARG 416 Cb 0.03 -1.48 0.00 0.00 0.45 0.00 0.00 32.46 31.47 3ie0 n ARG 416 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3ie0 n GLY 417 N 1.27 0.77 3.77 5.14 0.00 -0.18 -5.06 105.19 110.89 3ie0 n GLY 417 Ca 0.16 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3ie0 n GLY 417 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ie0 s GLN 418 N -0.69 3.92 -0.17 1.61 -0.21 -0.94 -5.01 119.66 118.18 3ie0 s GLN 418 Ca 0.00 -0.21 -0.29 0.00 0.02 0.00 0.00 55.36 54.88 3ie0 s GLN 418 Cb 0.00 -3.32 -0.01 0.00 1.00 0.00 0.00 33.01 30.68 3ie0 s GLN 418 CO 0.00 0.45 1.18 -1.21 -2.12 0.00 0.00 175.29 173.59 3ie0 s GLU 419 N -0.08 4.26 0.09 2.91 2.02 -0.62 -3.76 118.70 123.52 3ie0 s GLU 419 Ca 0.10 1.56 0.04 0.00 0.02 0.00 0.00 54.97 56.69 3ie0 s GLU 419 Cb -0.11 -3.70 -0.03 0.00 0.10 0.00 0.00 34.13 30.39 3ie0 s GLU 419 CO 0.00 -0.64 -0.12 0.54 0.02 0.00 0.00 175.26 175.07 3ie0 s VAL 420 N 3.21 1.01 0.19 2.63 0.11 -1.26 -0.16 120.40 126.12 3ie0 s VAL 420 Ca 0.51 -1.51 -0.15 0.00 -2.93 0.00 0.00 61.98 57.91 3ie0 s VAL 420 Cb -0.20 -1.24 0.01 0.00 -1.53 0.00 0.00 36.38 33.43 3ie0 s VAL 420 CO 0.13 -0.43 0.45 -0.94 -3.33 0.00 0.00 175.10 170.98 3ie0 s SER 421 N -2.17 -0.15 -0.40 3.54 1.04 -0.87 -4.98 113.70 109.71 3ie0 s SER 421 Ca 0.02 -0.63 -0.04 0.00 0.48 0.00 0.00 55.95 55.78 3ie0 s SER 421 Cb -0.06 0.53 0.09 0.00 0.10 0.00 0.00 66.02 66.69 3ie0 s SER 421 CO 0.01 -1.01 0.19 -0.76 0.98 0.00 0.00 173.24 172.66 3ie0 s LEU 422 N -2.91 5.04 0.11 2.42 1.02 -1.26 -1.17 118.68 121.94 3ie0 s LEU 422 Ca 0.12 -1.79 -0.21 0.00 0.02 0.00 0.00 54.13 52.27 3ie0 s LEU 422 Cb 0.00 -1.86 -0.12 0.00 0.02 0.00 0.00 46.19 44.23 3ie0 s LEU 422 CO -0.01 -0.51 0.45 0.00 0.02 0.00 0.00 176.35 176.30 3ie0 n ALA 423 N 4.69 -2.40 -2.54 4.21 0.00 -0.88 -4.93 120.51 118.66 3ie0 n ALA 423 Ca -0.06 0.33 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 3ie0 n ALA 423 Cb 0.42 -1.15 -0.15 0.00 0.00 0.00 0.00 19.45 18.56 3ie0 n ALA 423 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3ie0 s ARG 424 N -0.56 2.44 0.09 0.00 0.52 -1.26 -4.30 118.95 115.88 3ie0 s ARG 424 Ca 0.49 -0.84 -0.35 0.00 -0.52 0.00 0.00 55.73 54.51 3ie0 s ARG 424 Cb -0.70 -2.21 -0.14 0.00 0.52 0.00 0.00 34.95 32.41 3ie0 s ARG 424 CO 0.39 0.50 1.57 0.34 0.02 0.00 0.00 175.30 178.13 3ie0 n PHE 425 N 2.63 2.10 0.00 -0.53 7.35 -1.26 -1.98 117.46 125.77 3ie0 n PHE 425 Ca -0.17 0.33 0.00 0.00 -0.76 0.00 0.00 57.45 56.85 3ie0 n PHE 425 Cb 0.52 -2.51 0.00 0.00 0.35 0.00 0.00 39.48 37.84 3ie0 n PHE 425 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3ie0 n GLY 426 N 3.39 2.63 3.55 7.13 0.00 -0.68 -4.97 105.19 116.24 3ie0 n GLY 426 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3ie0 n GLY 426 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ie0 s GLU 427 N -0.02 3.11 0.83 1.61 2.02 -0.84 -4.82 118.70 120.60 3ie0 s GLU 427 Ca 0.00 -0.06 -0.12 0.00 0.02 0.00 0.00 54.97 54.81 3ie0 s GLU 427 Cb 0.00 -4.21 0.10 0.00 0.10 0.00 0.00 34.13 30.12 3ie0 s GLU 427 CO 0.00 -2.23 1.16 0.20 0.02 0.00 0.00 175.26 174.42 3ie0 s GLY 428 N 4.47 1.93 -0.06 -1.39 0.00 -1.26 -4.41 107.32 106.60 3ie0 s GLY 428 Ca 0.41 0.66 0.03 0.00 0.00 0.00 0.00 44.72 45.82 3ie0 s GLY 428 CO 0.17 1.06 -0.15 0.14 0.00 0.00 0.00 173.10 174.32 3ie0 s VAL 429 N -2.44 1.30 0.30 1.40 1.01 0.45 -4.90 120.40 117.53 3ie0 s VAL 429 Ca 0.69 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.78 3ie0 s VAL 429 Cb -0.24 -1.16 -0.09 0.00 0.00 0.00 0.00 36.38 34.88 3ie0 s VAL 429 CO 0.53 0.39 1.10 -2.16 0.00 0.00 0.00 175.10 174.96 3ie0 s PRO 430 N 0.40 4.55 0.00 2.72 0.04 -1.26 -0.83 135.00 140.62 3ie0 s PRO 430 Ca -0.11 1.78 0.28 0.00 0.04 0.00 0.00 61.00 62.99 3ie0 s PRO 430 Cb -0.14 -3.09 1.01 0.00 0.04 0.00 0.00 34.50 32.32 3ie0 s PRO 430 CO 0.04 0.14 1.72 0.28 0.04 0.00 0.00 177.00 179.22