#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iw0 s ASN 21 N 0.00 6.76 0.05 3.54 2.47 -1.26 -4.94 114.94 121.57 3iw0 s ASN 21 Ca 0.00 -2.23 0.03 0.00 0.42 0.00 0.00 52.86 51.08 3iw0 s ASN 21 Cb 0.00 -2.50 -0.03 0.00 -1.45 0.00 0.00 41.25 37.28 3iw0 s ASN 21 CO 0.00 -1.14 -0.10 -0.76 -3.72 0.00 0.00 177.10 171.38 3iw0 s LEU 22 N 3.47 2.27 0.61 3.21 1.43 -1.26 -5.02 118.68 123.39 3iw0 s LEU 22 Ca 0.45 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 3iw0 s LEU 22 Cb -0.01 -0.30 -0.03 0.00 0.03 0.00 0.00 46.19 45.88 3iw0 s LEU 22 CO -0.02 -0.16 1.17 -2.65 0.23 0.00 0.00 176.35 174.92 3iw0 n PRO 23 N 1.37 1.15 -1.72 1.29 -0.02 -1.26 -4.96 135.00 130.85 3iw0 n PRO 23 Ca -0.22 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 3iw0 n PRO 23 Cb 0.54 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 3iw0 n PRO 23 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3iw0 n PRO 24 N -1.34 2.39 -0.99 0.52 -0.02 -1.26 -2.55 135.00 131.76 3iw0 n PRO 24 Ca 0.14 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 3iw0 n PRO 24 Cb 0.47 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 3iw0 n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iw0 n GLY 25 N 1.30 0.60 3.69 -1.23 0.00 -1.26 -5.00 105.19 103.29 3iw0 n GLY 25 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3iw0 n GLY 25 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3iw0 s PHE 26 N -2.46 2.96 -0.15 1.61 5.36 -1.06 -5.00 117.98 119.24 3iw0 s PHE 26 Ca 0.00 0.88 0.00 0.00 -0.96 0.00 0.00 56.93 56.85 3iw0 s PHE 26 Cb 0.00 -3.65 0.03 0.00 -0.34 0.00 0.00 43.02 39.06 3iw0 s PHE 26 CO 0.00 -2.34 -0.10 0.34 -1.46 0.00 0.00 175.22 171.66 3iw0 s ASP 27 N 1.70 2.74 0.00 6.13 -1.08 -1.26 -4.83 116.67 120.07 3iw0 s ASP 27 Ca 0.63 -0.57 0.13 0.00 -0.52 0.00 0.00 52.55 52.23 3iw0 s ASP 27 Cb -0.32 -1.05 0.66 0.00 -1.46 0.00 0.00 42.92 40.76 3iw0 s ASP 27 CO 0.27 -0.12 1.34 0.49 0.52 0.00 0.00 175.17 177.67 3iw0 n PHE 28 N 4.82 0.00 -0.02 -5.34 3.72 -1.26 -1.39 117.46 117.99 3iw0 n PHE 28 Ca -0.14 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.35 3iw0 n PHE 28 Cb 0.49 -0.28 0.21 0.00 -0.94 0.00 0.00 39.48 38.95 3iw0 n PHE 28 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3iw0 n THR 29 N -1.28 0.75 -2.02 4.37 -2.24 -1.26 -4.99 114.28 107.60 3iw0 n THR 29 Ca 0.06 -0.87 -0.43 0.00 -2.27 0.00 0.00 64.05 60.54 3iw0 n THR 29 Cb 0.10 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.03 3iw0 n THR 29 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iw0 s ASP 30 N -1.13 6.11 0.59 3.42 -1.08 -0.49 -4.22 116.67 119.86 3iw0 s ASP 30 Ca 0.34 1.51 0.29 0.00 -0.52 0.00 0.00 52.55 54.18 3iw0 s ASP 30 Cb 0.19 -2.53 1.74 0.00 -1.46 0.00 0.00 42.92 40.86 3iw0 s ASP 30 CO 0.25 -1.50 2.18 -0.65 0.52 0.00 0.00 175.17 175.97 3iw0 h PRO 31 N 11.95 0.00 -0.29 4.34 0.11 -1.90 -1.82 132.00 144.39 3iw0 h PRO 31 Ca -0.35 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.79 3iw0 h PRO 31 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3iw0 h PRO 31 CO 1.01 0.00 0.19 0.00 -0.21 0.00 0.00 178.00 178.99 3iw0 h ALA 32 N 1.88 1.92 0.35 -0.75 0.00 -1.89 -1.27 119.26 119.50 3iw0 h ALA 32 Ca 0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3iw0 h ALA 32 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3iw0 h ALA 32 CO -0.00 0.04 -0.17 0.82 0.00 0.00 0.00 179.25 179.94 3iw0 h ILE 33 N 0.28 0.58 0.00 0.00 2.04 -1.66 -3.34 117.51 115.42 3iw0 h ILE 33 Ca 0.12 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.33 3iw0 h ILE 33 Cb 0.12 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 3iw0 h ILE 33 CO -0.02 0.10 -0.19 1.88 0.00 0.00 0.00 178.15 179.92 3iw0 h TYR 34 N -0.85 0.00 -0.11 1.37 0.05 -1.50 0.13 116.97 116.06 3iw0 h TYR 34 Ca -0.05 0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.76 3iw0 h TYR 34 Cb 0.53 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.27 3iw0 h TYR 34 CO 0.03 0.19 0.11 0.00 -1.05 0.00 0.00 178.16 177.44 3iw0 h ALA 35 N 1.81 1.77 0.00 3.88 0.00 -1.33 -3.30 119.26 122.09 3iw0 h ALA 35 Ca -0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 3iw0 h ALA 35 Cb 0.54 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3iw0 h ALA 35 CO 0.02 -0.17 -1.76 -1.91 0.00 0.00 0.00 179.25 175.43 3iw0 n GLU 36 N -3.94 0.33 -3.72 0.00 2.13 -0.27 -4.34 120.64 110.83 3iw0 n GLU 36 Ca -0.00 0.08 -0.06 0.00 0.66 0.00 0.00 57.16 57.84 3iw0 n GLU 36 Cb 0.22 -1.25 -0.02 0.00 0.27 0.00 0.00 31.44 30.67 3iw0 n GLU 36 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3iw0 s ARG 37 N -2.27 1.33 -0.09 5.31 1.70 0.29 -4.97 118.95 120.25 3iw0 s ARG 37 Ca -0.18 -0.69 -0.17 0.00 -0.47 0.00 0.00 55.73 54.22 3iw0 s ARG 37 Cb 0.05 0.48 -0.05 0.00 -0.57 0.00 0.00 34.95 34.86 3iw0 s ARG 37 CO 0.30 -0.61 0.44 -0.51 -1.08 0.00 0.00 175.30 173.85 3iw0 s LEU 38 N -2.86 4.33 -1.56 -1.89 1.43 -1.26 -3.46 118.68 113.41 3iw0 s LEU 38 Ca 0.10 0.83 -0.11 0.00 -1.03 0.00 0.00 54.13 53.91 3iw0 s LEU 38 Cb -0.03 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.52 3iw0 s LEU 38 CO 0.01 0.10 2.71 -0.81 0.23 0.00 0.00 176.35 178.58 3iw0 n PRO 39 N 3.15 3.45 -0.09 1.29 -0.04 -1.26 -4.72 135.00 136.79 3iw0 n PRO 39 Ca -0.09 -2.37 -0.11 0.00 -0.04 0.00 0.00 63.50 60.88 3iw0 n PRO 39 Cb 0.52 -2.96 -0.04 0.00 -0.04 0.00 0.00 33.50 30.98 3iw0 n PRO 39 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3iw0 h VAL 40 N 3.32 1.24 -0.70 0.52 2.07 -1.99 -1.60 116.25 119.12 3iw0 h VAL 40 Ca 0.77 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 3iw0 h VAL 40 Cb 0.40 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3iw0 h VAL 40 CO 1.81 0.27 0.34 0.00 0.02 0.00 0.00 177.57 180.01 3iw0 h ALA 41 N 0.84 1.28 -0.33 1.67 0.00 -1.99 -1.39 119.26 119.34 3iw0 h ALA 41 Ca 0.08 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 3iw0 h ALA 41 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iw0 h ALA 41 CO 0.01 0.56 -0.17 0.93 0.00 0.00 0.00 179.25 180.58 3iw0 h GLU 42 N 0.99 0.69 -0.66 0.00 3.07 -1.87 -0.17 114.58 116.63 3iw0 h GLU 42 Ca 0.24 -0.31 -0.00 0.00 -0.50 0.00 0.00 59.36 58.79 3iw0 h GLU 42 Cb 0.10 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.96 3iw0 h GLU 42 CO -0.03 0.91 0.41 0.74 -1.40 0.00 0.00 179.01 179.64 3iw0 h PHE 43 N 0.46 0.86 -0.77 4.33 0.04 -1.11 -2.06 116.94 118.70 3iw0 h PHE 43 Ca 0.07 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.82 3iw0 h PHE 43 Cb 0.70 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.53 3iw0 h PHE 43 CO 0.06 0.57 0.38 0.00 -0.60 0.00 0.00 178.31 178.72 3iw0 h ALA 44 N 1.22 1.22 -0.68 2.45 0.00 -0.93 -0.95 119.26 121.59 3iw0 h ALA 44 Ca 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3iw0 h ALA 44 Cb -0.05 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 3iw0 h ALA 44 CO -0.05 0.60 0.40 1.49 0.00 0.00 0.00 179.25 181.70 3iw0 h GLU 45 N 1.09 0.92 -0.37 0.00 4.57 -0.63 -2.19 114.58 117.97 3iw0 h GLU 45 Ca 0.27 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.31 3iw0 h GLU 45 Cb 0.09 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3iw0 h GLU 45 CO -0.04 0.67 0.06 -0.07 -1.18 0.00 0.00 179.01 178.45 3iw0 h LEU 46 N 0.92 0.59 -1.46 1.64 3.38 -0.66 -0.30 115.31 119.43 3iw0 h LEU 46 Ca 0.24 -0.26 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3iw0 h LEU 46 Cb -0.01 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 3iw0 h LEU 46 CO -0.04 0.71 0.45 0.03 0.09 0.00 0.00 178.44 179.68 3iw0 h ARG 47 N 0.46 0.62 -0.00 1.13 3.08 -1.01 0.99 114.38 119.65 3iw0 h ARG 47 Ca 0.11 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3iw0 h ARG 47 Cb 0.37 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3iw0 h ARG 47 CO 0.01 0.41 -0.04 1.03 -1.07 0.00 0.00 179.97 180.31 3iw0 h SER 48 N 0.64 0.03 0.00 7.04 0.87 -1.19 -3.40 113.55 117.55 3iw0 h SER 48 Ca 0.30 -0.78 -0.14 0.00 -1.23 0.00 0.00 61.79 59.95 3iw0 h SER 48 Cb 0.36 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3iw0 h SER 48 CO -0.10 0.81 -1.84 0.00 -0.53 0.00 0.00 176.83 175.17 3iw0 n ALA 49 N -2.50 2.05 -2.73 6.23 0.00 -0.14 -4.86 120.51 118.56 3iw0 n ALA 49 Ca -0.09 -0.68 -0.07 0.00 0.00 0.00 0.00 53.44 52.60 3iw0 n ALA 49 Cb 0.40 -0.25 0.06 0.00 0.00 0.00 0.00 19.45 19.66 3iw0 n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iw0 n ALA 50 N -2.30 -1.79 0.27 0.00 0.00 0.18 -4.74 120.51 112.13 3iw0 n ALA 50 Ca -0.14 -1.19 0.13 0.00 0.00 0.00 0.00 53.44 52.24 3iw0 n ALA 50 Cb 0.71 -1.70 0.81 0.00 0.00 0.00 0.00 19.45 19.26 3iw0 n ALA 50 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3iw0 h PRO 51 N 3.72 0.00 -4.93 0.00 0.13 -1.31 -3.32 132.00 126.28 3iw0 h PRO 51 Ca -0.16 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.31 3iw0 h PRO 51 Cb 1.07 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.85 3iw0 h PRO 51 CO 0.21 0.00 -0.84 0.42 -0.23 0.00 0.00 178.00 177.56 3iw0 s ILE 52 N -4.80 1.97 -0.02 -3.56 1.01 -1.26 -2.51 121.20 112.02 3iw0 s ILE 52 Ca -0.05 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 59.60 3iw0 s ILE 52 Cb 0.16 -1.85 0.03 0.00 0.01 0.00 0.00 42.46 40.81 3iw0 s ILE 52 CO 0.60 0.41 0.02 0.86 0.00 0.00 0.00 174.94 176.83 3iw0 s TRP 53 N 1.30 0.14 -0.21 3.97 -0.00 -1.03 -4.97 118.94 118.14 3iw0 s TRP 53 Ca 0.02 0.08 -0.29 0.00 -0.00 0.00 0.00 56.10 55.92 3iw0 s TRP 53 Cb -0.14 -0.31 -0.03 0.00 -0.00 0.00 0.00 33.47 32.99 3iw0 s TRP 53 CO -0.11 -0.11 1.56 -0.46 -0.00 0.00 0.00 176.95 177.83 3iw0 s TRP 54 N 1.09 2.21 -0.93 5.86 -0.11 -1.26 -0.77 118.94 125.02 3iw0 s TRP 54 Ca -0.09 0.58 -0.14 0.00 1.22 0.00 0.00 56.10 57.66 3iw0 s TRP 54 Cb -0.13 -3.94 0.20 0.00 -1.50 0.00 0.00 33.47 28.10 3iw0 s TRP 54 CO -0.03 -2.81 0.97 1.21 -4.62 0.00 0.00 176.95 171.67 3iw0 s ASN 55 N 3.84 6.84 0.56 5.86 2.47 0.36 -4.96 114.94 129.91 3iw0 s ASN 55 Ca 0.69 -2.69 -0.20 0.00 0.42 0.00 0.00 52.86 51.08 3iw0 s ASN 55 Cb -0.25 -2.27 -0.05 0.00 -1.45 0.00 0.00 41.25 37.23 3iw0 s ASN 55 CO 0.28 -0.67 1.22 -0.83 -3.72 0.00 0.00 177.10 173.37 3iw0 s GLY 56 N 2.47 2.77 -0.04 1.21 0.00 -1.26 -2.03 107.32 110.43 3iw0 s GLY 56 Ca 0.26 1.03 0.04 0.00 0.00 0.00 0.00 44.72 46.05 3iw0 s GLY 56 CO -0.08 1.45 -0.16 1.20 0.00 0.00 0.00 173.10 175.52 3iw0 s GLN 57 N -3.14 1.67 0.74 2.90 -0.21 0.66 -4.86 119.66 117.42 3iw0 s GLN 57 Ca 0.74 -0.55 -0.12 0.00 0.02 0.00 0.00 55.36 55.45 3iw0 s GLN 57 Cb -0.31 -1.45 0.04 0.00 1.00 0.00 0.00 33.01 32.29 3iw0 s GLN 57 CO 0.35 0.20 1.10 -0.51 -2.12 0.00 0.00 175.29 174.31 3iw0 s ASP 58 N 0.12 4.69 0.16 5.90 1.01 -1.26 -4.56 116.67 122.73 3iw0 s ASP 58 Ca -0.05 1.89 -0.34 0.00 0.71 0.00 0.00 52.55 54.76 3iw0 s ASP 58 Cb -0.12 -2.53 -0.15 0.00 1.01 0.00 0.00 42.92 41.13 3iw0 s ASP 58 CO 0.02 -1.91 1.34 -2.65 0.21 0.00 0.00 175.17 172.18 3iw0 n PRO 59 N -3.15 1.52 0.00 8.23 -0.02 -1.26 -1.33 135.00 138.99 3iw0 n PRO 59 Ca 0.10 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 3iw0 n PRO 59 Cb 0.53 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3iw0 n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iw0 n GLY 60 N 2.43 2.82 2.23 -1.23 0.00 -1.26 -4.89 105.19 105.30 3iw0 n GLY 60 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3iw0 n GLY 60 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iw0 n LYS 61 N -2.00 3.38 -0.16 1.61 5.02 -0.44 -4.73 118.16 120.84 3iw0 n LYS 61 Ca 0.00 -4.08 0.12 0.00 -2.02 0.00 0.00 58.31 52.32 3iw0 n LYS 61 Cb 0.00 -2.27 0.23 0.00 -0.02 0.00 0.00 35.03 32.97 3iw0 n LYS 61 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iw0 n GLY 62 N -0.67 1.48 2.76 0.72 0.00 -1.26 -4.56 105.19 103.66 3iw0 n GLY 62 Ca 0.46 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 3iw0 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iw0 n GLY 63 N 1.45 -0.51 0.00 -0.02 0.00 -1.26 -1.95 105.19 102.90 3iw0 n GLY 63 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3iw0 n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iw0 n GLY 64 N -1.18 0.52 3.42 -0.02 0.00 -1.24 -0.63 105.19 106.07 3iw0 n GLY 64 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 3iw0 n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iw0 s PHE 65 N -2.11 3.04 -0.47 1.61 0.08 -0.82 -4.89 117.98 114.41 3iw0 s PHE 65 Ca 0.00 -0.54 0.03 0.00 0.12 0.00 0.00 56.93 56.54 3iw0 s PHE 65 Cb 0.00 -2.13 0.53 0.00 -0.57 0.00 0.00 43.02 40.85 3iw0 s PHE 65 CO 0.00 -0.33 1.77 0.72 -0.10 0.00 0.00 175.22 177.28 3iw0 n HIS 66 N 4.54 2.67 1.00 0.36 8.25 -1.26 -4.21 115.22 126.57 3iw0 n HIS 66 Ca -0.17 -2.27 0.10 0.00 -0.26 0.00 0.00 57.72 55.12 3iw0 n HIS 66 Cb 0.51 -0.96 -0.04 0.00 1.12 0.00 0.00 29.99 30.63 3iw0 n HIS 66 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3iw0 n ASP 67 N -1.01 1.01 0.00 0.41 5.68 -1.26 -4.97 116.55 116.40 3iw0 n ASP 67 Ca 0.53 -0.92 0.00 0.00 -0.50 0.00 0.00 54.79 53.90 3iw0 n ASP 67 Cb 1.09 0.82 0.00 0.00 -1.14 0.00 0.00 41.12 41.89 3iw0 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iw0 n GLY 68 N 1.49 0.38 0.00 6.12 0.00 -1.26 -4.98 105.19 106.93 3iw0 n GLY 68 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3iw0 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iw0 n GLY 69 N -2.00 0.38 3.57 -0.02 0.00 -1.26 -0.25 105.19 105.60 3iw0 n GLY 69 Ca 0.00 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 3iw0 n GLY 69 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3iw0 s PHE 70 N -2.78 -0.31 -0.20 1.61 -0.12 -0.86 -4.66 117.98 110.66 3iw0 s PHE 70 Ca 0.00 -0.00 -0.24 0.00 -0.05 0.00 0.00 56.93 56.64 3iw0 s PHE 70 Cb 0.00 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.92 3iw0 s PHE 70 CO 0.00 -0.97 0.77 -1.58 -0.05 0.00 0.00 175.22 173.39 3iw0 s TRP 71 N -3.83 3.38 -0.20 3.49 0.52 -0.40 -0.49 118.94 121.41 3iw0 s TRP 71 Ca 0.06 1.12 -0.29 0.00 0.02 0.00 0.00 56.10 57.02 3iw0 s TRP 71 Cb -0.02 -2.96 0.00 0.00 -1.15 0.00 0.00 33.47 29.34 3iw0 s TRP 71 CO -0.05 -0.26 1.00 0.00 0.02 0.00 0.00 176.95 177.66 3iw0 s ALA 72 N 2.27 3.61 -0.25 0.98 0.00 0.05 -0.20 121.76 128.22 3iw0 s ALA 72 Ca 0.34 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.43 3iw0 s ALA 72 Cb -0.16 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 3iw0 s ALA 72 CO 0.10 -0.91 0.04 0.42 0.00 0.00 0.00 175.76 175.41 3iw0 s ILE 73 N 2.83 3.95 -0.06 0.00 -1.09 0.13 -2.48 121.20 124.49 3iw0 s ILE 73 Ca 0.44 -0.39 0.02 0.00 -2.23 0.00 0.00 60.65 58.49 3iw0 s ILE 73 Cb -0.16 -2.88 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 3iw0 s ILE 73 CO 0.09 0.31 0.06 0.35 -1.23 0.00 0.00 174.94 174.52 3iw0 n THR 74 N 4.87 0.00 -4.17 2.92 -2.24 -1.04 -1.44 114.28 113.18 3iw0 n THR 74 Ca -0.16 -0.36 -0.35 0.00 -2.27 0.00 0.00 64.05 60.91 3iw0 n THR 74 Cb 0.50 0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 69.52 3iw0 n THR 74 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3iw0 s LYS 75 N -1.39 3.15 0.22 -0.78 -0.14 -1.26 -3.08 119.74 116.47 3iw0 s LYS 75 Ca 0.00 -0.32 -0.09 0.00 -1.36 0.00 0.00 55.97 54.21 3iw0 s LYS 75 Cb 0.01 -2.94 0.18 0.00 -1.68 0.00 0.00 37.83 33.41 3iw0 s LYS 75 CO 0.06 0.72 1.87 1.25 -0.76 0.00 0.00 175.35 178.50 3iw0 h LEU 76 N 4.96 1.00 -1.33 3.17 6.46 -1.90 -1.55 115.31 126.13 3iw0 h LEU 76 Ca -0.52 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.12 3iw0 h LEU 76 Cb 1.20 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.87 3iw0 h LEU 76 CO 0.57 0.76 -0.20 0.78 -0.62 0.00 0.00 178.44 179.72 3iw0 h ASN 77 N 1.14 0.19 -0.22 1.25 2.35 -1.95 -0.46 115.58 117.88 3iw0 h ASN 77 Ca 0.30 -0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.80 3iw0 h ASN 77 Cb -0.06 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.27 3iw0 h ASN 77 CO -0.06 0.41 -0.65 0.44 -1.65 0.00 0.00 177.43 175.91 3iw0 h ASP 78 N 0.18 0.97 -0.38 5.81 3.32 -1.74 -0.58 116.42 124.00 3iw0 h ASP 78 Ca 0.03 -0.57 0.03 0.00 0.02 0.00 0.00 57.03 56.54 3iw0 h ASP 78 Cb 0.47 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3iw0 h ASP 78 CO 0.03 1.37 0.18 0.58 -1.72 0.00 0.00 179.24 179.69 3iw0 h VAL 79 N 0.61 0.97 -0.63 -1.35 2.07 -0.92 -0.91 116.25 116.09 3iw0 h VAL 79 Ca -0.02 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.39 3iw0 h VAL 79 Cb 1.27 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3iw0 h VAL 79 CO 0.14 0.07 0.41 0.11 0.02 0.00 0.00 177.57 178.32 3iw0 h LYS 80 N 0.38 0.80 -0.33 1.57 1.57 -0.96 -1.25 116.57 118.35 3iw0 h LYS 80 Ca 0.16 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 3iw0 h LYS 80 Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3iw0 h LYS 80 CO -0.12 0.53 0.08 1.49 -0.57 0.00 0.00 179.45 180.87 3iw0 h GLU 81 N 0.82 0.52 -0.56 3.15 4.81 -0.70 -0.94 114.58 121.68 3iw0 h GLU 81 Ca 0.24 -0.12 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3iw0 h GLU 81 Cb -0.05 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 3iw0 h GLU 81 CO -0.07 0.58 0.34 0.82 -0.73 0.00 0.00 179.01 179.94 3iw0 h ILE 82 N 0.37 1.06 -0.47 2.32 2.04 -1.07 -1.40 117.51 120.37 3iw0 h ILE 82 Ca 0.10 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 3iw0 h ILE 82 Cb 0.29 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3iw0 h ILE 82 CO 0.00 0.12 -0.05 0.28 0.00 0.00 0.00 178.15 178.50 3iw0 h SER 83 N 0.67 0.79 -0.25 1.72 0.02 -0.91 -2.89 113.55 112.70 3iw0 h SER 83 Ca 0.22 -0.22 -0.18 0.00 -0.84 0.00 0.00 61.79 60.78 3iw0 h SER 83 Cb 0.02 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 3iw0 h SER 83 CO -0.09 0.89 -0.52 -0.09 -1.14 0.00 0.00 176.83 175.87 3iw0 h ARG 84 N 0.75 0.84 -2.73 3.45 2.43 -0.96 -3.35 114.38 114.81 3iw0 h ARG 84 Ca 0.14 -0.52 -0.75 0.00 -0.81 0.00 0.00 59.98 58.04 3iw0 h ARG 84 Cb 0.53 0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 29.99 3iw0 h ARG 84 CO 0.03 1.15 2.27 0.72 -1.51 0.00 0.00 179.97 182.63 3iw0 n HIS 85 N -4.01 2.64 0.43 2.20 8.25 -0.55 -4.68 115.22 119.51 3iw0 n HIS 85 Ca -0.04 -2.80 0.13 0.00 -0.26 0.00 0.00 57.72 54.75 3iw0 n HIS 85 Cb 0.61 -1.81 0.48 0.00 1.12 0.00 0.00 29.99 30.39 3iw0 n HIS 85 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3iw0 h SER 86 N 4.76 0.00 0.17 0.41 4.64 -1.70 -0.33 113.55 121.49 3iw0 h SER 86 Ca 0.64 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.93 3iw0 h SER 86 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3iw0 h SER 86 CO 1.48 0.00 -0.16 -2.24 -0.87 0.00 0.00 176.83 175.05 3iw0 h ASP 87 N 0.00 0.00 0.03 4.97 2.03 -1.93 -3.29 116.42 118.23 3iw0 h ASP 87 Ca 0.00 0.00 -0.39 0.00 -0.73 0.00 0.00 57.03 55.91 3iw0 h ASP 87 Cb 0.52 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.96 3iw0 h ASP 87 CO 0.00 0.16 -2.26 0.52 -1.03 0.00 0.00 179.24 176.63 3iw0 n VAL 88 N -4.29 1.57 -3.43 4.15 0.31 -0.89 -4.87 118.33 110.87 3iw0 n VAL 88 Ca -0.02 -0.49 -0.43 0.00 -0.01 0.00 0.00 64.34 63.38 3iw0 n VAL 88 Cb 0.22 -1.66 -0.07 0.00 -0.91 0.00 0.00 33.84 31.42 3iw0 n VAL 88 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3iw0 s PHE 89 N -2.51 3.33 0.10 3.52 0.08 -0.19 -0.29 117.98 122.02 3iw0 s PHE 89 Ca -0.32 -1.52 -0.24 0.00 0.12 0.00 0.00 56.93 54.96 3iw0 s PHE 89 Cb 0.10 -3.59 -0.07 0.00 -0.57 0.00 0.00 43.02 38.89 3iw0 s PHE 89 CO 0.61 -0.98 0.74 0.45 -0.10 0.00 0.00 175.22 175.93 3iw0 s SER 90 N 3.07 7.27 -0.02 1.36 0.15 0.24 -4.46 113.70 121.30 3iw0 s SER 90 Ca 0.04 1.50 0.03 0.00 0.70 0.00 0.00 55.95 58.23 3iw0 s SER 90 Cb -0.28 -2.46 -0.25 0.00 -1.71 0.00 0.00 66.02 61.32 3iw0 s SER 90 CO 0.02 0.14 0.77 0.28 1.20 0.00 0.00 173.24 175.65 3iw0 h SER 91 N 4.89 0.21 -0.41 5.45 0.02 -1.88 -1.23 113.55 120.60 3iw0 h SER 91 Ca -0.46 -0.35 -0.15 0.00 -0.84 0.00 0.00 61.79 59.99 3iw0 h SER 91 Cb 1.21 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 3iw0 h SER 91 CO 0.68 1.30 -0.34 0.22 -1.14 0.00 0.00 176.83 177.54 3iw0 h TYR 92 N 0.04 1.13 -0.51 3.45 3.20 -1.80 -1.17 116.97 121.31 3iw0 h TYR 92 Ca -0.26 -0.32 0.05 0.00 3.14 0.00 0.00 58.73 61.34 3iw0 h TYR 92 Cb 1.99 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 39.97 3iw0 h TYR 92 CO 0.04 1.16 0.26 1.49 -1.64 0.00 0.00 178.16 179.46 3iw0 h GLU 93 N 0.79 0.49 0.00 1.82 4.57 -1.87 -3.14 114.58 117.24 3iw0 h GLU 93 Ca 0.07 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 3iw0 h GLU 93 Cb 0.93 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 3iw0 h GLU 93 CO 0.09 0.32 -0.05 0.09 -1.18 0.00 0.00 179.01 178.28 3iw0 n ASN 94 N -4.89 1.42 -0.83 1.04 3.02 -1.26 -5.07 115.26 108.70 3iw0 n ASN 94 Ca 0.05 -1.97 0.11 0.00 -0.03 0.00 0.00 54.58 52.73 3iw0 n ASN 94 Cb 0.14 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.18 3iw0 n ASN 94 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iw0 n GLY 95 N -0.52 -1.98 0.00 7.41 0.00 -0.44 -4.73 105.19 104.94 3iw0 n GLY 95 Ca 0.03 -1.30 0.08 0.00 0.00 0.00 0.00 46.02 44.83 3iw0 n GLY 95 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iw0 n VAL 96 N -3.19 0.00 -2.36 1.61 0.24 -1.25 -4.67 118.33 108.71 3iw0 n VAL 96 Ca -0.01 -0.25 -0.42 0.00 -2.04 0.00 0.00 64.34 61.62 3iw0 n VAL 96 Cb 0.38 0.56 -0.03 0.00 -1.47 0.00 0.00 33.84 33.28 3iw0 n VAL 96 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3iw0 s ILE 97 N -2.81 4.08 -2.46 1.34 1.01 -1.26 -0.77 121.20 120.33 3iw0 s ILE 97 Ca -0.00 1.39 0.27 0.00 0.00 0.00 0.00 60.65 62.31 3iw0 s ILE 97 Cb 0.11 -3.90 0.55 0.00 0.01 0.00 0.00 42.46 39.24 3iw0 s ILE 97 CO 0.66 -0.04 1.74 -0.81 0.00 0.00 0.00 174.94 176.50 3iw0 n PRO 98 N 5.69 1.64 -3.66 2.79 -0.04 -1.26 -4.85 135.00 135.31 3iw0 n PRO 98 Ca 0.13 -0.94 -0.06 0.00 -0.04 0.00 0.00 63.50 62.59 3iw0 n PRO 98 Cb 0.45 -1.47 -0.07 0.00 -0.04 0.00 0.00 33.50 32.37 3iw0 n PRO 98 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3iw0 s ARG 99 N -1.98 0.48 0.41 0.54 6.06 -1.26 -4.86 118.95 118.34 3iw0 s ARG 99 Ca 0.38 1.20 0.00 0.00 -2.50 0.00 0.00 55.73 54.81 3iw0 s ARG 99 Cb 0.21 0.48 -0.00 0.00 0.06 0.00 0.00 34.95 35.69 3iw0 s ARG 99 CO 0.33 -0.21 0.01 1.19 -2.50 0.00 0.00 175.30 174.13 3iw0 n PHE 100 N 5.14 0.87 -1.66 5.12 3.72 0.20 -4.75 117.46 126.10 3iw0 n PHE 100 Ca -0.13 -2.07 -0.43 0.00 -0.05 0.00 0.00 57.45 54.78 3iw0 n PHE 100 Cb 0.51 -0.24 -0.01 0.00 -0.94 0.00 0.00 39.48 38.80 3iw0 n PHE 100 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3iw0 n LYS 101 N -1.01 1.84 0.01 -1.08 5.02 -1.26 -4.30 118.16 117.38 3iw0 n LYS 101 Ca -0.16 0.65 0.15 0.00 -2.02 0.00 0.00 58.31 56.93 3iw0 n LYS 101 Cb 0.52 -2.18 0.61 0.00 -0.02 0.00 0.00 35.03 33.96 3iw0 n LYS 101 CO 0.00 0.00 0.00 -0.91 -0.52 0.00 0.00 177.40 175.97 3iw0 h ASN 102 N 2.27 0.14 -0.49 4.39 2.35 -1.87 -2.14 115.58 120.23 3iw0 h ASN 102 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3iw0 h ASN 102 Cb 1.30 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.65 3iw0 h ASN 102 CO 0.61 0.09 0.00 -0.90 -1.65 0.00 0.00 177.43 175.58 3iw0 n ASP 103 N -4.44 3.53 -4.54 5.81 5.75 -1.26 -3.63 116.55 117.76 3iw0 n ASP 103 Ca 0.08 -1.97 -0.47 0.00 -0.01 0.00 0.00 54.79 52.42 3iw0 n ASP 103 Cb 0.43 -0.32 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 3iw0 n ASP 103 CO 0.00 0.00 0.00 2.30 -0.11 0.00 0.00 177.20 179.39 3iw0 n ILE 104 N 1.42 1.67 -2.48 2.12 -5.35 -0.80 -4.95 119.36 110.97 3iw0 n ILE 104 Ca 0.20 -0.42 -0.38 0.00 -0.27 0.00 0.00 62.75 61.88 3iw0 n ILE 104 Cb 0.58 -0.71 -0.04 0.00 -1.74 0.00 0.00 39.64 37.73 3iw0 n ILE 104 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iw0 s ALA 105 N -0.80 3.17 0.33 -1.28 0.00 -1.26 -4.86 121.76 117.06 3iw0 s ALA 105 Ca 0.64 0.80 0.06 0.00 0.00 0.00 0.00 51.96 53.46 3iw0 s ALA 105 Cb -0.81 -3.30 0.73 0.00 0.00 0.00 0.00 23.12 19.74 3iw0 s ALA 105 CO 0.57 -0.26 1.85 -0.09 0.00 0.00 0.00 175.76 177.83 3iw0 h ARG 106 N 2.85 0.77 -0.99 0.00 9.65 -1.92 -0.82 114.38 123.91 3iw0 h ARG 106 Ca -0.48 -0.05 0.15 0.00 -1.10 0.00 0.00 59.98 58.51 3iw0 h ARG 106 Cb 1.22 -0.17 -0.09 0.00 -1.39 0.00 0.00 29.97 29.53 3iw0 h ARG 106 CO 0.63 0.51 0.61 0.93 2.80 0.00 0.00 179.97 185.45 3iw0 h GLU 107 N 0.79 0.84 0.00 0.20 3.07 -1.99 -0.67 114.58 116.83 3iw0 h GLU 107 Ca 0.48 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 59.24 3iw0 h GLU 107 Cb 0.68 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3iw0 h GLU 107 CO -0.24 0.56 -0.26 -0.44 -1.40 0.00 0.00 179.01 177.22 3iw0 h ASP 108 N 0.87 0.00 -0.08 1.42 3.32 -1.53 -1.14 116.42 119.28 3iw0 h ASP 108 Ca 0.53 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.50 3iw0 h ASP 108 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3iw0 h ASP 108 CO -0.32 0.26 -0.26 0.40 -1.72 0.00 0.00 179.24 177.60 3iw0 h ILE 109 N 0.00 1.42 0.00 0.35 2.04 -1.15 -3.33 117.51 116.84 3iw0 h ILE 109 Ca -0.00 -1.62 -0.04 0.00 1.00 0.00 0.00 64.86 64.19 3iw0 h ILE 109 Cb 0.86 2.25 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 3iw0 h ILE 109 CO 0.03 0.46 -0.19 -0.33 0.00 0.00 0.00 178.15 178.13 3iw0 h GLU 110 N -0.17 0.00 0.00 2.37 5.08 -0.80 -2.60 114.58 118.47 3iw0 h GLU 110 Ca -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3iw0 h GLU 110 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3iw0 h GLU 110 CO 0.05 0.19 -0.06 0.28 -1.00 0.00 0.00 179.01 178.48 3iw0 h VAL 111 N 0.00 0.36 0.00 3.13 2.07 -1.33 -0.84 116.25 119.65 3iw0 h VAL 111 Ca -0.00 -0.32 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 3iw0 h VAL 111 Cb 0.58 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3iw0 h VAL 111 CO 0.03 0.06 -0.01 1.56 0.02 0.00 0.00 177.57 179.22 3iw0 h GLN 112 N 0.00 0.00 0.00 1.57 4.20 -1.63 -2.31 115.11 116.94 3iw0 h GLN 112 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3iw0 h GLN 112 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3iw0 h GLN 112 CO 0.01 0.01 0.00 0.54 -0.67 0.00 0.00 178.83 178.72 3iw0 n ARG 113 N -3.27 0.15 0.17 1.46 1.74 -0.32 -2.05 116.66 114.54 3iw0 n ARG 113 Ca -0.03 0.54 0.13 0.00 -0.77 0.00 0.00 57.85 57.73 3iw0 n ARG 113 Cb 0.11 -1.88 0.55 0.00 -1.02 0.00 0.00 32.46 30.21 3iw0 n ARG 113 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 3iw0 h PHE 114 N 0.00 0.00 -3.04 -1.55 0.04 -1.62 -3.42 116.94 107.34 3iw0 h PHE 114 Ca 0.00 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 60.15 3iw0 h PHE 114 Cb 0.14 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.21 3iw0 h PHE 114 CO 0.00 0.00 -0.60 0.14 -0.60 0.00 0.00 178.31 177.25 3iw0 s VAL 115 N -3.41 4.42 0.47 -0.55 -7.23 -0.87 -4.87 120.40 108.35 3iw0 s VAL 115 Ca 0.03 -0.92 0.14 0.00 -1.81 0.00 0.00 61.98 59.42 3iw0 s VAL 115 Cb 0.09 -3.17 0.30 0.00 0.56 0.00 0.00 36.38 34.16 3iw0 s VAL 115 CO 0.43 0.04 2.07 -0.03 -0.31 0.00 0.00 175.10 177.30 3iw0 h MET 116 N 3.01 0.27 -0.66 4.82 4.05 -1.87 -1.46 114.93 123.09 3iw0 h MET 116 Ca -0.47 -0.02 0.12 0.00 -0.28 0.00 0.00 59.70 59.05 3iw0 h MET 116 Cb 1.18 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.87 3iw0 h MET 116 CO 0.64 0.18 0.45 1.25 0.23 0.00 0.00 176.91 179.65 3iw0 h LEU 117 N 0.28 0.37 -3.50 3.39 5.85 -1.95 -2.43 115.31 117.31 3iw0 h LEU 117 Ca 0.14 0.01 -0.22 0.00 0.84 0.00 0.00 57.88 58.65 3iw0 h LEU 117 Cb 0.21 -0.06 -0.13 0.00 0.37 0.00 0.00 40.66 41.04 3iw0 h LEU 117 CO -0.03 0.21 0.11 0.59 -0.34 0.00 0.00 178.44 178.98 3iw0 n ASN 118 N -4.47 3.14 -4.61 1.25 3.02 -0.55 -4.84 115.26 108.20 3iw0 n ASN 118 Ca 0.12 -3.58 -0.28 0.00 -0.03 0.00 0.00 54.58 50.80 3iw0 n ASN 118 Cb 0.45 -0.67 -0.09 0.00 -0.61 0.00 0.00 39.78 38.85 3iw0 n ASN 118 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3iw0 s MET 119 N -3.18 2.23 0.34 3.52 -1.94 -0.92 -3.59 119.30 115.77 3iw0 s MET 119 Ca 0.48 -1.09 0.08 0.00 -1.71 0.00 0.00 55.69 53.45 3iw0 s MET 119 Cb 0.41 -2.31 -0.04 0.00 2.01 0.00 0.00 34.83 34.91 3iw0 s MET 119 CO 0.04 0.48 0.21 -0.51 -0.01 0.00 0.00 175.02 175.23 3iw0 s ASP 120 N -2.58 4.95 0.59 3.03 1.01 -1.26 -4.55 116.67 117.87 3iw0 s ASP 120 Ca 0.24 -0.65 -0.20 0.00 0.71 0.00 0.00 52.55 52.66 3iw0 s ASP 120 Cb -0.10 -0.84 -0.03 0.00 1.01 0.00 0.00 42.92 42.95 3iw0 s ASP 120 CO 0.16 -0.32 1.31 0.00 0.21 0.00 0.00 175.17 176.53 3iw0 s ALA 121 N -2.37 2.61 -0.74 5.23 0.00 -1.26 -0.83 121.76 124.40 3iw0 s ALA 121 Ca 0.39 1.24 0.26 0.00 0.00 0.00 0.00 51.96 53.85 3iw0 s ALA 121 Cb -0.04 -3.55 0.70 0.00 0.00 0.00 0.00 23.12 20.23 3iw0 s ALA 121 CO 0.24 -1.43 1.64 -0.35 0.00 0.00 0.00 175.76 175.87 3iw0 n PRO 122 N -1.45 0.24 -0.06 0.00 -0.04 -1.26 -4.83 135.00 127.60 3iw0 n PRO 122 Ca 0.13 0.15 -0.10 0.00 -0.04 0.00 0.00 63.50 63.64 3iw0 n PRO 122 Cb 0.47 -1.74 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 3iw0 n PRO 122 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3iw0 h HIS 123 N 0.00 0.32 -0.79 0.54 2.76 -1.87 -2.17 115.15 113.94 3iw0 h HIS 123 Ca 0.00 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.27 3iw0 h HIS 123 Cb 0.71 -0.10 -0.07 0.00 1.55 0.00 0.00 27.41 29.49 3iw0 h HIS 123 CO 0.00 0.26 0.43 1.25 -1.30 0.00 0.00 177.93 178.56 3iw0 h HIS 124 N 0.29 0.77 -0.43 5.26 -0.00 -1.26 -2.66 115.15 117.12 3iw0 h HIS 124 Ca 0.09 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.50 3iw0 h HIS 124 Cb 0.03 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 27.19 3iw0 h HIS 124 CO -0.04 0.29 0.27 1.15 -0.00 0.00 0.00 177.93 179.60 3iw0 h THR 125 N 0.70 1.09 0.09 6.26 2.02 -1.64 0.61 112.91 122.04 3iw0 h THR 125 Ca 0.39 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 3iw0 h THR 125 Cb 0.40 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3iw0 h THR 125 CO -0.27 0.10 -0.04 -0.09 0.37 0.00 0.00 175.52 175.59 3iw0 h ARG 126 N 0.56 -0.12 -0.45 6.66 2.43 -1.25 -2.26 114.38 119.94 3iw0 h ARG 126 Ca 0.16 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 3iw0 h ARG 126 Cb -0.04 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3iw0 h ARG 126 CO -0.05 0.01 0.17 -0.07 -1.51 0.00 0.00 179.97 178.52 3iw0 h LEU 127 N -0.21 0.64 -1.10 3.80 3.38 -1.24 -2.38 115.31 118.20 3iw0 h LEU 127 Ca -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 3iw0 h LEU 127 Cb 0.18 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3iw0 h LEU 127 CO 0.02 0.64 0.30 -0.09 0.09 0.00 0.00 178.44 179.40 3iw0 h ARG 128 N 0.59 0.94 -0.52 1.13 9.65 -0.85 0.10 114.38 125.42 3iw0 h ARG 128 Ca 0.15 -0.13 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 3iw0 h ARG 128 Cb 0.21 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 3iw0 h ARG 128 CO -0.01 0.73 0.19 -0.22 2.80 0.00 0.00 179.97 183.46 3iw0 h LYS 129 N 0.93 0.79 -0.03 0.20 3.64 -1.17 -1.12 116.57 119.82 3iw0 h LYS 129 Ca 0.23 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3iw0 h LYS 129 Cb 0.12 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3iw0 h LYS 129 CO -0.03 0.72 0.01 0.82 -2.27 0.00 0.00 179.45 178.70 3iw0 h ILE 130 N 0.71 1.14 0.00 2.00 2.04 -0.96 -3.22 117.51 119.21 3iw0 h ILE 130 Ca 0.17 -0.41 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 3iw0 h ILE 130 Cb 0.24 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3iw0 h ILE 130 CO -0.01 0.11 -0.23 0.40 0.00 0.00 0.00 178.15 178.42 3iw0 h ILE 131 N -0.13 0.87 -0.18 -0.67 2.04 -0.69 -2.12 117.51 116.64 3iw0 h ILE 131 Ca 0.01 -0.87 0.05 0.00 1.00 0.00 0.00 64.86 65.05 3iw0 h ILE 131 Cb 0.17 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 3iw0 h ILE 131 CO -0.00 0.22 0.24 0.77 0.00 0.00 0.00 178.15 179.38 3iw0 h SER 132 N 0.00 0.00 -0.94 1.72 4.64 -1.21 -0.47 113.55 117.30 3iw0 h SER 132 Ca -0.00 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.56 3iw0 h SER 132 Cb 0.50 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.52 3iw0 h SER 132 CO 0.03 0.00 0.64 0.03 -0.87 0.00 0.00 176.83 176.66 3iw0 h ARG 133 N 0.00 0.25 -0.00 4.77 3.08 -1.53 -1.44 114.38 119.51 3iw0 h ARG 133 Ca 0.08 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3iw0 h ARG 133 Cb 0.57 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3iw0 h ARG 133 CO -0.00 0.16 -0.22 0.41 -1.07 0.00 0.00 179.97 179.25 3iw0 n GLY 134 N -1.58 -1.18 0.27 0.04 0.00 -0.18 -4.13 105.19 98.43 3iw0 n GLY 134 Ca 0.20 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3iw0 n GLY 134 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iw0 n PHE 135 N -1.27 0.00 -1.52 1.61 3.72 -0.56 -4.57 117.46 114.86 3iw0 n PHE 135 Ca 0.09 -0.56 -0.35 0.00 -0.05 0.00 0.00 57.45 56.59 3iw0 n PHE 135 Cb 0.32 -0.11 0.08 0.00 -0.94 0.00 0.00 39.48 38.84 3iw0 n PHE 135 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3iw0 s THR 136 N -1.60 2.30 0.30 4.37 -4.23 -1.09 -4.79 115.64 110.91 3iw0 s THR 136 Ca 0.18 0.16 0.06 0.00 -1.18 0.00 0.00 61.69 60.91 3iw0 s THR 136 Cb 0.16 -2.80 0.30 0.00 1.34 0.00 0.00 72.50 71.50 3iw0 s THR 136 CO 0.01 -0.07 1.78 -0.65 -0.54 0.00 0.00 174.62 175.15 3iw0 h PRO 137 N -0.09 0.74 -0.17 3.99 0.11 -1.96 -1.46 132.00 133.15 3iw0 h PRO 137 Ca -0.48 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3iw0 h PRO 137 Cb 1.30 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3iw0 h PRO 137 CO 0.51 0.49 0.03 -0.09 -0.21 0.00 0.00 178.00 178.72 3iw0 h ARG 138 N 0.76 0.29 -0.41 1.05 2.43 -1.98 -0.29 114.38 116.23 3iw0 h ARG 138 Ca 0.58 -0.08 0.01 0.00 -0.81 0.00 0.00 59.98 59.69 3iw0 h ARG 138 Cb 0.91 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 3iw0 h ARG 138 CO -0.38 0.46 0.25 0.00 -1.51 0.00 0.00 179.97 178.78 3iw0 h ALA 139 N 0.82 0.51 -0.36 2.80 0.00 -1.76 -1.63 119.26 119.64 3iw0 h ALA 139 Ca 0.05 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3iw0 h ALA 139 Cb 0.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3iw0 h ALA 139 CO 0.00 -0.08 -0.23 0.28 0.00 0.00 0.00 179.25 179.23 3iw0 h VAL 140 N 0.50 1.29 -0.53 0.00 2.07 -1.31 -3.04 116.25 115.23 3iw0 h VAL 140 Ca 0.16 -1.37 0.07 0.00 0.82 0.00 0.00 66.70 66.38 3iw0 h VAL 140 Cb -0.01 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3iw0 h VAL 140 CO -0.06 0.45 0.35 1.23 0.02 0.00 0.00 177.57 179.56 3iw0 h GLY 141 N 0.58 0.54 2.00 2.17 0.00 -0.78 -0.96 103.07 106.63 3iw0 h GLY 141 Ca 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3iw0 h GLY 141 CO 0.06 0.12 -0.03 3.21 0.00 0.00 0.00 176.54 179.90 3iw0 h ARG 142 N 0.42 0.00 0.00 4.80 3.08 -1.18 -1.85 114.38 119.65 3iw0 h ARG 142 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3iw0 h ARG 142 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3iw0 h ARG 142 CO -0.06 0.03 -0.20 1.28 -1.07 0.00 0.00 179.97 179.95 3iw0 n LEU 143 N -3.31 0.33 -0.11 3.04 4.77 -0.36 -4.39 117.00 116.97 3iw0 n LEU 143 Ca -0.02 0.35 -0.05 0.00 -0.03 0.00 0.00 56.01 56.25 3iw0 n LEU 143 Cb 0.16 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 40.89 3iw0 n LEU 143 CO 0.25 0.00 0.76 -0.74 -1.33 0.00 0.00 177.39 176.33 3iw0 h HIS 144 N 0.00 -0.31 -0.24 -1.77 2.76 -1.40 -1.96 115.15 112.22 3iw0 h HIS 144 Ca 0.00 0.04 -0.14 0.00 -2.20 0.00 0.00 60.37 58.07 3iw0 h HIS 144 Cb 0.56 0.20 -0.00 0.00 1.55 0.00 0.00 27.41 29.72 3iw0 h HIS 144 CO 0.00 -0.21 -0.39 -0.44 -1.30 0.00 0.00 177.93 175.59 3iw0 h ASP 145 N -0.06 0.76 -0.29 3.26 3.32 -1.80 -0.45 116.42 121.16 3iw0 h ASP 145 Ca 0.18 -0.52 -0.11 0.00 0.02 0.00 0.00 57.03 56.60 3iw0 h ASP 145 Cb 0.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3iw0 h ASP 145 CO -0.42 1.13 -0.22 1.05 -1.72 0.00 0.00 179.24 179.06 3iw0 h GLU 146 N 0.40 0.77 -0.16 3.56 4.11 -1.81 -2.02 114.58 119.43 3iw0 h GLU 146 Ca 0.02 -0.31 -0.11 0.00 0.07 0.00 0.00 59.36 59.03 3iw0 h GLU 146 Cb 0.98 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3iw0 h GLU 146 CO 0.09 0.92 -0.40 -0.07 0.07 0.00 0.00 179.01 179.63 3iw0 h LEU 147 N 0.67 0.38 0.08 3.06 3.38 -1.17 -0.86 115.31 120.85 3iw0 h LEU 147 Ca 0.09 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 3iw0 h LEU 147 Cb 0.73 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3iw0 h LEU 147 CO 0.06 0.74 -0.04 -0.61 0.09 0.00 0.00 178.44 178.68 3iw0 h GLN 148 N 0.31 -0.10 -0.23 1.13 4.15 -0.90 0.58 115.11 120.05 3iw0 h GLN 148 Ca 0.03 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.48 3iw0 h GLN 148 Cb 0.83 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.52 3iw0 h GLN 148 CO 0.07 -0.02 0.08 1.49 -1.93 0.00 0.00 178.83 178.52 3iw0 h GLU 149 N -0.15 0.19 -0.55 1.69 4.81 -1.28 -1.64 114.58 117.64 3iw0 h GLU 149 Ca -0.01 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3iw0 h GLU 149 Cb 0.13 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3iw0 h GLU 149 CO 0.02 0.13 0.37 0.00 -0.73 0.00 0.00 179.01 178.79 3iw0 h ARG 150 N 0.20 0.73 -0.79 1.92 3.08 -1.10 -2.34 114.38 116.08 3iw0 h ARG 150 Ca 0.10 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.12 3iw0 h ARG 150 Cb 0.06 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 3iw0 h ARG 150 CO -0.10 0.48 0.52 0.00 -1.07 0.00 0.00 179.97 179.80 3iw0 h ALA 151 N 1.20 1.01 -0.43 0.04 0.00 -0.47 -0.27 119.26 120.34 3iw0 h ALA 151 Ca 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3iw0 h ALA 151 Cb -0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 3iw0 h ALA 151 CO -0.04 0.38 0.12 1.96 0.00 0.00 0.00 179.25 181.66 3iw0 h GLN 152 N 1.04 0.68 -0.01 0.00 1.08 -1.08 -1.05 115.11 115.77 3iw0 h GLN 152 Ca 0.30 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3iw0 h GLN 152 Cb -0.08 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.26 3iw0 h GLN 152 CO -0.08 0.67 0.01 -0.22 -0.95 0.00 0.00 178.83 178.26 3iw0 h LYS 153 N 0.55 0.02 -0.33 1.46 3.64 -1.06 0.89 116.57 121.74 3iw0 h LYS 153 Ca 0.14 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.58 3iw0 h LYS 153 Cb 0.29 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 3iw0 h LYS 153 CO -0.00 0.05 -0.08 0.82 -2.27 0.00 0.00 179.45 177.97 3iw0 h ILE 154 N -0.02 0.67 -0.52 2.00 2.04 -0.95 0.40 117.51 121.13 3iw0 h ILE 154 Ca 0.01 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 3iw0 h ILE 154 Cb 0.04 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3iw0 h ILE 154 CO -0.00 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.34 3iw0 h ALA 155 N 1.33 0.68 -0.76 1.87 0.00 -0.98 -1.84 119.26 119.56 3iw0 h ALA 155 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3iw0 h ALA 155 Cb 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3iw0 h ALA 155 CO -0.34 0.31 0.31 0.00 0.00 0.00 0.00 179.25 179.53 3iw0 h ALA 156 N 1.04 1.12 -0.53 0.00 0.00 -0.41 -1.25 119.26 119.23 3iw0 h ALA 156 Ca 0.17 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3iw0 h ALA 156 Cb 0.23 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3iw0 h ALA 156 CO -0.01 0.63 -0.08 0.93 0.00 0.00 0.00 179.25 180.72 3iw0 h GLU 157 N 1.09 0.99 -0.12 0.00 5.08 -0.75 -1.07 114.58 119.80 3iw0 h GLU 157 Ca 0.25 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 3iw0 h GLU 157 Cb 0.19 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3iw0 h GLU 157 CO -0.02 1.03 0.03 0.00 -1.00 0.00 0.00 179.01 179.05 3iw0 h ALA 158 N 0.93 0.16 -0.72 3.43 0.00 -1.18 -2.25 119.26 119.63 3iw0 h ALA 158 Ca 0.14 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.98 3iw0 h ALA 158 Cb 0.64 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.32 3iw0 h ALA 158 CO 0.04 -0.21 0.41 0.00 0.00 0.00 0.00 179.25 179.49 3iw0 h ALA 159 N 0.83 0.98 0.00 0.00 0.00 -1.08 -1.47 119.26 118.53 3iw0 h ALA 159 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3iw0 h ALA 159 Cb 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3iw0 h ALA 159 CO 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 179.25 179.23 3iw0 h ALA 160 N 1.38 1.57 0.00 0.00 0.00 -1.01 -1.54 119.26 119.66 3iw0 h ALA 160 Ca 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3iw0 h ALA 160 Cb 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3iw0 h ALA 160 CO -0.20 0.12 -0.02 0.00 0.00 0.00 0.00 179.25 179.15 3iw0 h ALA 161 N 1.90 1.00 0.00 0.00 0.00 -0.66 -3.47 119.26 118.03 3iw0 h ALA 161 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iw0 h ALA 161 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3iw0 h ALA 161 CO 0.01 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3iw0 n GLY 162 N 0.41 1.73 3.61 0.00 0.00 -0.58 -4.82 105.19 105.54 3iw0 n GLY 162 Ca 0.02 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 3iw0 n GLY 162 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iw0 s SER 163 N 0.00 0.20 0.00 1.61 1.04 -1.26 -0.83 113.70 114.46 3iw0 s SER 163 Ca 0.00 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.32 3iw0 s SER 163 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 3iw0 s SER 163 CO 0.00 -1.29 0.00 0.61 0.98 0.00 0.00 173.24 173.54 3iw0 n GLY 164 N -0.46 0.09 3.57 7.32 0.00 -0.70 -4.97 105.19 110.04 3iw0 n GLY 164 Ca -0.02 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.00 3iw0 n GLY 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iw0 s ASP 165 N -4.00 6.51 0.36 1.61 2.15 -1.26 -1.01 116.67 121.03 3iw0 s ASP 165 Ca 0.00 0.17 0.07 0.00 0.43 0.00 0.00 52.55 53.21 3iw0 s ASP 165 Cb 0.00 -2.51 0.76 0.00 -0.30 0.00 0.00 42.92 40.87 3iw0 s ASP 165 CO 0.00 -1.26 1.93 0.15 -0.17 0.00 0.00 175.17 175.82 3iw0 h PHE 166 N 9.28 0.79 0.01 -5.34 3.57 -1.19 0.53 116.94 124.59 3iw0 h PHE 166 Ca -0.24 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 3iw0 h PHE 166 Cb 1.07 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.55 3iw0 h PHE 166 CO 0.96 0.38 -0.01 0.28 -2.23 0.00 0.00 178.31 177.69 3iw0 h VAL 167 N 0.74 1.11 -0.19 1.41 2.07 -1.88 0.10 116.25 119.61 3iw0 h VAL 167 Ca 0.36 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 3iw0 h VAL 167 Cb 0.40 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 3iw0 h VAL 167 CO -0.13 0.09 -0.15 -0.08 0.02 0.00 0.00 177.57 177.32 3iw0 h GLU 168 N -0.17 0.44 0.00 1.57 4.81 -1.76 0.29 114.58 119.75 3iw0 h GLU 168 Ca -0.00 -0.22 -0.18 0.00 -0.13 0.00 0.00 59.36 58.83 3iw0 h GLU 168 Cb 0.16 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3iw0 h GLU 168 CO 0.00 0.77 -0.98 1.96 -0.73 0.00 0.00 179.01 180.03 3iw0 h GLN 169 N 0.11 0.00 0.00 1.92 4.20 -0.88 -3.39 115.11 117.08 3iw0 h GLN 169 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3iw0 h GLN 169 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 3iw0 h GLN 169 CO 0.04 0.67 -0.83 0.28 -0.67 0.00 0.00 178.83 178.32 3iw0 n VAL 170 N -3.21 0.00 0.03 -0.54 0.31 0.29 -4.70 118.33 110.51 3iw0 n VAL 170 Ca -0.03 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.19 3iw0 n VAL 170 Cb 0.87 -0.45 -0.14 0.00 -0.91 0.00 0.00 33.84 33.22 3iw0 n VAL 170 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3iw0 h SER 171 N 0.00 0.13 -0.07 4.52 0.02 -0.89 -3.41 113.55 113.85 3iw0 h SER 171 Ca 0.00 -0.21 -0.15 0.00 -0.84 0.00 0.00 61.79 60.60 3iw0 h SER 171 Cb 0.83 -0.04 0.01 0.00 0.14 0.00 0.00 62.40 63.34 3iw0 h SER 171 CO 0.00 1.18 -0.53 0.00 -1.14 0.00 0.00 176.83 176.34 3iw0 h GLU 173 N 0.05 0.62 -0.54 0.00 4.81 -1.81 -3.34 114.58 114.37 3iw0 h GLU 173 Ca -0.05 -0.66 -0.03 0.00 -0.13 0.00 0.00 59.36 58.49 3iw0 h GLU 173 Cb 1.19 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.73 3iw0 h GLU 173 CO 0.11 1.26 0.21 1.25 -0.73 0.00 0.00 179.01 181.11 3iw0 h LEU 174 N 0.26 0.76 -0.78 1.64 5.85 -1.84 0.01 115.31 121.21 3iw0 h LEU 174 Ca -0.11 -0.17 0.07 0.00 0.84 0.00 0.00 57.88 58.51 3iw0 h LEU 174 Cb 1.57 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 3iw0 h LEU 174 CO 0.18 0.72 0.45 -0.65 -0.34 0.00 0.00 178.44 178.80 3iw0 h PRO 175 N 0.74 0.78 -0.66 5.25 0.11 -1.79 0.65 132.00 137.09 3iw0 h PRO 175 Ca 0.18 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.16 3iw0 h PRO 175 Cb 0.20 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 3iw0 h PRO 175 CO -0.01 0.52 0.10 -0.07 -0.21 0.00 0.00 178.00 178.32 3iw0 h LEU 176 N 0.80 1.04 -1.31 2.35 3.38 -1.55 -2.08 115.31 117.95 3iw0 h LEU 176 Ca 0.36 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3iw0 h LEU 176 Cb 0.25 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3iw0 h LEU 176 CO -0.20 1.04 -0.35 1.56 0.09 0.00 0.00 178.44 180.58 3iw0 h GLN 177 N 1.02 0.00 -0.35 1.13 1.08 -0.38 -1.14 115.11 116.46 3iw0 h GLN 177 Ca 0.20 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.36 3iw0 h GLN 177 Cb 0.45 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3iw0 h GLN 177 CO 0.01 0.35 0.07 0.00 -0.95 0.00 0.00 178.83 178.31 3iw0 h ALA 178 N 1.65 0.47 -0.12 3.87 0.00 -0.41 0.04 119.26 124.77 3iw0 h ALA 178 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3iw0 h ALA 178 Cb 0.62 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3iw0 h ALA 178 CO 0.04 0.16 0.06 0.82 0.00 0.00 0.00 179.25 180.33 3iw0 h ILE 179 N 0.42 1.11 -0.88 0.00 2.04 -1.07 -0.87 117.51 118.26 3iw0 h ILE 179 Ca 0.11 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 3iw0 h ILE 179 Cb 0.33 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3iw0 h ILE 179 CO 0.00 0.10 0.51 0.00 0.00 0.00 0.00 178.15 178.76 3iw0 h ALA 180 N 0.94 1.13 -0.36 1.87 0.00 -1.18 -1.65 119.26 120.01 3iw0 h ALA 180 Ca 0.04 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3iw0 h ALA 180 Cb 0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3iw0 h ALA 180 CO -0.01 0.61 -0.12 0.78 0.00 0.00 0.00 179.25 180.51 3iw0 h GLY 181 N 1.22 0.78 0.65 0.00 0.00 -0.77 -0.28 103.07 104.67 3iw0 h GLY 181 Ca 0.31 -0.67 0.06 0.00 0.00 0.00 0.00 47.33 47.04 3iw0 h GLY 181 CO -0.05 0.61 0.36 -2.00 0.00 0.00 0.00 176.54 175.45 3iw0 h LEU 182 N 0.52 0.52 -0.23 3.11 5.85 -0.82 -2.51 115.31 121.74 3iw0 h LEU 182 Ca 0.09 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3iw0 h LEU 182 Cb 0.65 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3iw0 h LEU 182 CO 0.04 0.33 -0.17 0.18 -0.34 0.00 0.00 178.44 178.48 3iw0 n LEU 183 N -4.81 0.53 -3.30 2.25 4.77 -0.65 -4.60 117.00 111.18 3iw0 n LEU 183 Ca 0.09 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.85 3iw0 n LEU 183 Cb 0.19 -0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.13 3iw0 n LEU 183 CO 0.28 0.10 0.18 0.61 -1.33 0.00 0.00 177.39 177.23 3iw0 n GLY 184 N 1.34 -0.47 3.69 -0.72 0.00 -0.38 -4.73 105.19 103.91 3iw0 n GLY 184 Ca 0.12 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 3iw0 n GLY 184 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iw0 s VAL 185 N -3.27 3.32 0.30 1.61 1.01 -0.26 -4.96 120.40 118.16 3iw0 s VAL 185 Ca 0.49 0.74 -0.28 0.00 0.00 0.00 0.00 61.98 62.92 3iw0 s VAL 185 Cb -0.22 -3.47 -0.13 0.00 0.00 0.00 0.00 36.38 32.56 3iw0 s VAL 185 CO 0.61 -0.00 1.18 -2.65 0.00 0.00 0.00 175.10 174.23 3iw0 n PRO 186 N 5.54 1.76 -0.29 2.72 -0.02 -1.26 -4.85 135.00 138.60 3iw0 n PRO 186 Ca 0.15 0.62 0.11 0.00 -2.02 0.00 0.00 63.50 62.35 3iw0 n PRO 186 Cb 0.42 -2.11 0.26 0.00 -0.02 0.00 0.00 33.50 32.05 3iw0 n PRO 186 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3iw0 h GLN 187 N 2.49 0.26 0.00 -0.52 -0.00 -1.99 0.11 115.11 115.46 3iw0 h GLN 187 Ca -0.43 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 3iw0 h GLN 187 Cb 1.31 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 28.73 3iw0 h GLN 187 CO 0.63 0.17 0.00 0.39 -0.00 0.00 0.00 178.83 180.02 3iw0 n GLU 188 N -5.17 0.15 0.00 0.06 4.71 -1.26 -1.92 120.64 117.22 3iw0 n GLU 188 Ca 0.19 0.48 0.10 0.00 -0.01 0.00 0.00 57.16 57.92 3iw0 n GLU 188 Cb 0.61 -1.85 -0.07 0.00 -1.01 0.00 0.00 31.44 29.11 3iw0 n GLU 188 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3iw0 n ASP 189 N -2.15 1.29 -0.01 1.62 8.00 0.38 -4.63 116.55 121.06 3iw0 n ASP 189 Ca 0.01 -1.15 -0.07 0.00 0.71 0.00 0.00 54.79 54.30 3iw0 n ASP 189 Cb 0.15 0.81 0.12 0.00 -0.02 0.00 0.00 41.12 42.18 3iw0 n ASP 189 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3iw0 h ARG 190 N 0.82 0.56 -0.22 -1.24 3.08 -1.20 -2.29 114.38 113.90 3iw0 h ARG 190 Ca 0.00 -0.27 0.02 0.00 0.07 0.00 0.00 59.98 59.80 3iw0 h ARG 190 Cb 0.55 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3iw0 h ARG 190 CO 0.00 0.85 0.07 0.78 -1.07 0.00 0.00 179.97 180.60 3iw0 h GLY 191 N 1.05 0.26 1.08 0.04 0.00 -1.82 0.12 103.07 103.80 3iw0 h GLY 191 Ca 0.05 -0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3iw0 h GLY 191 CO 0.07 0.02 -0.19 0.07 0.00 0.00 0.00 176.54 176.51 3iw0 h LYS 192 N 0.17 0.95 -0.63 4.80 2.10 -1.85 -1.39 116.57 120.73 3iw0 h LYS 192 Ca 0.09 -0.40 0.01 0.00 -2.00 0.00 0.00 60.65 58.35 3iw0 h LYS 192 Cb 0.07 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.33 3iw0 h LYS 192 CO -0.10 1.07 0.41 1.25 -2.00 0.00 0.00 179.45 180.07 3iw0 h LEU 193 N 0.80 0.69 -0.33 7.07 5.85 -1.09 -0.93 115.31 127.37 3iw0 h LEU 193 Ca 0.11 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.73 3iw0 h LEU 193 Cb 0.77 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3iw0 h LEU 193 CO 0.06 0.49 -0.14 -0.26 -0.34 0.00 0.00 178.44 178.26 3iw0 h PHE 194 N 0.82 0.77 -0.17 1.25 0.04 -0.65 -0.56 116.94 118.44 3iw0 h PHE 194 Ca 0.24 -0.18 0.05 0.00 2.80 0.00 0.00 57.97 60.87 3iw0 h PHE 194 Cb -0.06 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 37.86 3iw0 h PHE 194 CO -0.04 0.87 -0.21 1.25 -0.60 0.00 0.00 178.31 179.58 3iw0 h HIS 195 N 0.44 -0.56 -0.04 -0.55 -0.00 -0.99 0.03 115.15 113.48 3iw0 h HIS 195 Ca 0.08 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 3iw0 h HIS 195 Cb 0.66 0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 28.34 3iw0 h HIS 195 CO 0.06 -0.29 0.01 -1.49 -0.00 0.00 0.00 177.93 176.21 3iw0 h TRP 196 N -0.25 0.01 -0.84 5.26 6.55 -1.07 -2.99 115.95 122.62 3iw0 h TRP 196 Ca 0.11 0.00 0.08 0.00 0.95 0.00 0.00 58.89 60.03 3iw0 h TRP 196 Cb 0.42 -0.00 -0.06 0.00 -0.86 0.00 0.00 29.16 28.66 3iw0 h TRP 196 CO -0.34 0.01 0.54 0.77 -1.05 0.00 0.00 178.44 178.37 3iw0 h SER 197 N 0.02 0.78 0.48 -3.49 0.02 -0.85 -1.93 113.55 108.58 3iw0 h SER 197 Ca 0.02 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3iw0 h SER 197 Cb 0.01 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.40 3iw0 h SER 197 CO -0.02 0.49 0.00 0.59 -1.14 0.00 0.00 176.83 176.74 3iw0 n ASN 198 N -4.50 0.00 -0.78 3.07 3.02 -0.02 -2.77 115.26 113.28 3iw0 n ASN 198 Ca 0.13 -0.14 0.08 0.00 -0.03 0.00 0.00 54.58 54.62 3iw0 n ASN 198 Cb 0.25 -0.27 0.15 0.00 -0.61 0.00 0.00 39.78 39.30 3iw0 n ASN 198 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3iw0 n GLU 199 N -1.27 2.12 -0.00 3.52 1.02 -0.73 -4.77 120.64 120.53 3iw0 n GLU 199 Ca 0.13 -1.91 0.10 0.00 -0.02 0.00 0.00 57.16 55.46 3iw0 n GLU 199 Cb 0.21 -1.34 -0.13 0.00 -0.02 0.00 0.00 31.44 30.15 3iw0 n GLU 199 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3iw0 n MET 200 N 0.90 0.19 -3.35 3.49 1.56 -1.12 -3.80 117.12 114.99 3iw0 n MET 200 Ca 0.13 -0.04 -0.41 0.00 -0.27 0.00 0.00 57.70 57.11 3iw0 n MET 200 Cb 0.45 -1.50 -0.09 0.00 2.15 0.00 0.00 33.22 34.24 3iw0 n MET 200 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 3iw0 s THR 201 N -3.10 5.12 0.38 1.12 -1.32 -1.26 -4.90 115.64 111.68 3iw0 s THR 201 Ca 0.04 0.24 -0.27 0.00 -1.21 0.00 0.00 61.69 60.49 3iw0 s THR 201 Cb 0.15 -3.84 -0.10 0.00 -1.51 0.00 0.00 72.50 67.21 3iw0 s THR 201 CO 0.87 -0.08 1.33 -0.83 -2.21 0.00 0.00 174.62 173.71 3iw0 s GLY 202 N 1.72 2.95 0.27 6.08 0.00 -1.26 -5.03 107.32 112.05 3iw0 s GLY 202 Ca 0.14 1.30 -0.12 0.00 0.00 0.00 0.00 44.72 46.04 3iw0 s GLY 202 CO 0.12 1.92 0.51 0.54 0.00 0.00 0.00 173.10 176.18 3iw0 s ASN 203 N -0.56 0.05 -0.24 1.64 2.20 -1.26 -5.04 114.94 111.72 3iw0 s ASN 203 Ca 0.54 -1.01 0.13 0.00 -0.94 0.00 0.00 52.86 51.58 3iw0 s ASN 203 Cb -0.40 0.62 0.54 0.00 -2.00 0.00 0.00 41.25 40.01 3iw0 s ASN 203 CO 0.52 -1.20 1.48 -0.62 -2.94 0.00 0.00 177.10 174.34 3iw0 n GLU 204 N -0.42 2.48 -2.64 3.55 1.02 -0.93 -4.94 120.64 118.75 3iw0 n GLU 204 Ca -0.02 -3.00 -0.42 0.00 -0.02 0.00 0.00 57.16 53.70 3iw0 n GLU 204 Cb 0.62 -1.87 -0.03 0.00 -0.02 0.00 0.00 31.44 30.14 3iw0 n GLU 204 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3iw0 s ASP 205 N -2.11 7.29 0.55 1.62 -1.08 -1.21 -4.90 116.67 116.83 3iw0 s ASP 205 Ca 0.44 1.72 0.25 0.00 -0.52 0.00 0.00 52.55 54.45 3iw0 s ASP 205 Cb 0.38 -2.57 1.47 0.00 -1.46 0.00 0.00 42.92 40.74 3iw0 s ASP 205 CO 0.06 -0.33 2.04 -0.65 0.52 0.00 0.00 175.17 176.81 3iw0 h PRO 206 N 6.85 0.00 0.00 4.34 0.11 -1.95 -0.70 132.00 140.65 3iw0 h PRO 206 Ca -0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3iw0 h PRO 206 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iw0 h PRO 206 CO 0.78 0.00 -0.05 1.49 -0.21 0.00 0.00 178.00 180.01 3iw0 h GLU 207 N 0.00 0.00 0.00 1.05 4.81 -2.01 -3.03 114.58 115.39 3iw0 h GLU 207 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3iw0 h GLU 207 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3iw0 h GLU 207 CO -0.00 0.05 -0.05 0.66 -0.73 0.00 0.00 179.01 178.94 3iw0 n TYR 208 N -3.65 0.00 0.30 0.92 4.01 -0.29 -4.78 117.16 113.67 3iw0 n TYR 208 Ca -0.02 -0.82 0.16 0.00 -0.16 0.00 0.00 57.90 57.06 3iw0 n TYR 208 Cb 0.15 -0.12 0.94 0.00 -0.31 0.00 0.00 39.34 39.99 3iw0 n TYR 208 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3iw0 h ALA 209 N 0.00 1.32 -0.00 -0.72 0.00 -1.37 -1.53 119.26 116.96 3iw0 h ALA 209 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iw0 h ALA 209 Cb 0.97 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3iw0 h ALA 209 CO 0.00 0.04 -0.26 -2.39 0.00 0.00 0.00 179.25 176.64 3iw0 n HIS 210 N -3.59 0.00 -2.83 0.00 1.44 -1.26 -4.91 115.22 104.06 3iw0 n HIS 210 Ca -0.03 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.33 3iw0 n HIS 210 Cb 0.12 -0.31 -0.07 0.00 0.12 0.00 0.00 29.99 29.86 3iw0 n HIS 210 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3iw0 s ILE 211 N -2.87 4.32 -0.45 0.61 1.01 -0.58 -5.04 121.20 118.20 3iw0 s ILE 211 Ca 0.16 1.62 0.04 0.00 0.00 0.00 0.00 60.65 62.47 3iw0 s ILE 211 Cb 0.19 -3.83 0.12 0.00 0.01 0.00 0.00 42.46 38.95 3iw0 s ILE 211 CO 0.59 -0.04 0.18 -0.62 0.00 0.00 0.00 174.94 175.05 3iw0 s ASP 212 N -1.86 4.49 0.40 3.58 3.68 -1.26 -4.98 116.67 120.72 3iw0 s ASP 212 Ca 0.54 -2.68 0.10 0.00 2.13 0.00 0.00 52.55 52.64 3iw0 s ASP 212 Cb -0.14 -1.64 0.89 0.00 -1.45 0.00 0.00 42.92 40.58 3iw0 s ASP 212 CO 0.19 -0.29 1.96 -0.65 0.13 0.00 0.00 175.17 176.51 3iw0 h PRO 213 N 6.93 0.56 -0.68 4.34 0.11 -1.91 -2.61 132.00 138.74 3iw0 h PRO 213 Ca -0.06 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.04 3iw0 h PRO 213 Cb 0.94 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.88 3iw0 h PRO 213 CO 0.62 0.37 0.43 0.87 -0.21 0.00 0.00 178.00 180.08 3iw0 h LYS 214 N 0.58 0.82 -0.27 1.05 1.57 -1.93 -0.56 116.57 117.83 3iw0 h LYS 214 Ca 0.31 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 3iw0 h LYS 214 Cb 0.46 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3iw0 h LYS 214 CO -0.10 0.54 -0.09 0.00 -0.57 0.00 0.00 179.45 179.23 3iw0 h ALA 215 N 1.28 0.37 -0.82 3.86 0.00 -1.89 -1.50 119.26 120.56 3iw0 h ALA 215 Ca 0.27 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3iw0 h ALA 215 Cb -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3iw0 h ALA 215 CO -0.10 0.21 0.39 0.77 0.00 0.00 0.00 179.25 180.53 3iw0 h SER 216 N 0.28 1.08 -0.46 0.00 0.02 -1.33 -1.49 113.55 111.65 3iw0 h SER 216 Ca 0.06 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 3iw0 h SER 216 Cb 0.58 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 3iw0 h SER 216 CO 0.03 0.91 0.03 -1.28 -1.14 0.00 0.00 176.83 175.39 3iw0 h SER 217 N 1.17 0.77 -0.58 3.07 0.87 -1.02 -0.52 113.55 117.31 3iw0 h SER 217 Ca 0.28 -0.29 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 3iw0 h SER 217 Cb 0.12 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 3iw0 h SER 217 CO -0.04 0.87 0.15 0.00 -0.53 0.00 0.00 176.83 177.29 3iw0 h ALA 218 N 0.93 1.10 -0.33 6.23 0.00 -1.02 -0.65 119.26 125.52 3iw0 h ALA 218 Ca 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3iw0 h ALA 218 Cb 0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3iw0 h ALA 218 CO 0.02 0.60 0.06 0.93 0.00 0.00 0.00 179.25 180.86 3iw0 h GLU 219 N 0.93 0.55 -0.68 0.00 5.08 -1.03 -2.15 114.58 117.28 3iw0 h GLU 219 Ca 0.20 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3iw0 h GLU 219 Cb 0.33 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 3iw0 h GLU 219 CO -0.00 0.63 0.11 1.25 -1.00 0.00 0.00 179.01 180.00 3iw0 h LEU 220 N 0.38 1.07 -0.85 1.33 5.85 -0.91 -1.91 115.31 120.27 3iw0 h LEU 220 Ca 0.10 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 3iw0 h LEU 220 Cb 0.35 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3iw0 h LEU 220 CO 0.01 1.06 0.44 0.40 -0.34 0.00 0.00 178.44 180.00 3iw0 h ILE 221 N 1.04 1.25 -0.34 4.05 2.04 -1.06 -0.27 117.51 124.22 3iw0 h ILE 221 Ca 0.21 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 3iw0 h ILE 221 Cb 0.44 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3iw0 h ILE 221 CO 0.01 0.29 0.19 1.23 0.00 0.00 0.00 178.15 179.88 3iw0 h GLY 222 N 1.20 0.51 0.97 5.37 0.00 -1.16 -0.43 103.07 109.53 3iw0 h GLY 222 Ca 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3iw0 h GLY 222 CO -0.04 0.22 0.09 -1.82 0.00 0.00 0.00 176.54 174.99 3iw0 h TYR 223 N 0.43 0.19 -0.54 5.60 3.20 -1.07 -1.86 116.97 122.92 3iw0 h TYR 223 Ca 0.12 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 3iw0 h TYR 223 Cb 0.06 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3iw0 h TYR 223 CO -0.03 0.15 0.19 0.00 -1.64 0.00 0.00 178.16 176.83 3iw0 h ALA 224 N 1.02 0.71 -0.67 1.82 0.00 -0.88 -1.33 119.26 119.93 3iw0 h ALA 224 Ca 0.05 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3iw0 h ALA 224 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3iw0 h ALA 224 CO -0.01 0.35 0.17 0.52 0.00 0.00 0.00 179.25 180.28 3iw0 h MET 225 N 0.74 1.06 -0.64 0.00 2.86 -0.99 -0.57 114.93 117.40 3iw0 h MET 225 Ca 0.18 -0.24 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 3iw0 h MET 225 Cb 0.25 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3iw0 h MET 225 CO -0.01 0.93 0.31 0.87 1.06 0.00 0.00 176.91 180.07 3iw0 h LYS 226 N 1.01 0.91 -0.64 1.72 1.57 -1.14 -1.25 116.57 118.76 3iw0 h LYS 226 Ca 0.21 -0.13 0.07 0.00 -1.87 0.00 0.00 60.65 58.93 3iw0 h LYS 226 Cb 0.34 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.43 3iw0 h LYS 226 CO -0.00 0.73 0.32 1.98 -0.57 0.00 0.00 179.45 181.91 3iw0 h MET 227 N 0.87 0.56 -0.56 3.15 -1.53 -0.64 -0.98 114.93 115.81 3iw0 h MET 227 Ca 0.22 -0.03 -0.05 0.00 -3.44 0.00 0.00 59.70 56.39 3iw0 h MET 227 Cb 0.12 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 31.02 3iw0 h MET 227 CO -0.03 0.37 0.15 0.00 0.14 0.00 0.00 176.91 177.54 3iw0 h ALA 228 N 1.37 0.73 -0.35 0.39 0.00 -0.61 -0.25 119.26 120.55 3iw0 h ALA 228 Ca 0.30 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3iw0 h ALA 228 Cb 0.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3iw0 h ALA 228 CO -0.23 0.42 -0.20 1.05 0.00 0.00 0.00 179.25 180.30 3iw0 h GLU 229 N 0.79 0.65 -0.25 0.00 4.11 -0.82 -1.14 114.58 117.92 3iw0 h GLU 229 Ca 0.18 -0.24 -0.05 0.00 0.07 0.00 0.00 59.36 59.31 3iw0 h GLU 229 Cb 0.33 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3iw0 h GLU 229 CO -0.00 0.81 -0.06 0.93 0.07 0.00 0.00 179.01 180.76 3iw0 h GLU 230 N 0.58 0.47 -0.22 1.06 5.08 -1.02 -2.88 114.58 117.66 3iw0 h GLU 230 Ca 0.09 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3iw0 h GLU 230 Cb 0.66 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3iw0 h GLU 230 CO 0.05 0.70 0.04 -0.22 -1.00 0.00 0.00 179.01 178.57 3iw0 h LYS 231 N 0.22 0.31 -0.21 2.33 1.63 -0.84 0.12 116.57 120.11 3iw0 h LYS 231 Ca 0.06 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3iw0 h LYS 231 Cb 0.52 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 3iw0 h LYS 231 CO 0.02 0.30 0.11 0.00 -3.45 0.00 0.00 179.45 176.44 3iw0 h ALA 232 N 1.74 0.27 -0.28 5.00 0.00 -1.09 -1.78 119.26 123.13 3iw0 h ALA 232 Ca 0.07 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 3iw0 h ALA 232 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3iw0 h ALA 232 CO -0.00 -0.19 -0.30 1.57 0.00 0.00 0.00 179.25 180.33 3iw0 h LYS 233 N 0.23 0.58 -2.20 0.00 2.10 -1.18 -3.34 116.57 112.76 3iw0 h LYS 233 Ca 0.07 -0.25 -0.59 0.00 -2.00 0.00 0.00 60.65 57.89 3iw0 h LYS 233 Cb 0.08 -0.02 -0.42 0.00 -0.90 0.00 0.00 32.23 30.98 3iw0 h LYS 233 CO -0.01 0.82 -0.69 0.27 -2.00 0.00 0.00 179.45 177.83 3iw0 n ASN 234 N -4.08 3.53 -4.73 7.07 2.04 0.35 -5.09 115.26 114.35 3iw0 n ASN 234 Ca -0.01 -3.44 -0.42 0.00 -0.44 0.00 0.00 54.58 50.27 3iw0 n ASN 234 Cb 0.45 -0.62 -0.01 0.00 -2.53 0.00 0.00 39.78 37.07 3iw0 n ASN 234 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 3iw0 n PRO 235 N 0.46 2.45 -4.42 -0.53 -0.04 -0.68 -4.69 135.00 127.55 3iw0 n PRO 235 Ca 0.29 0.87 -0.22 0.00 -0.04 0.00 0.00 63.50 64.40 3iw0 n PRO 235 Cb 0.43 -2.57 -0.09 0.00 -0.04 0.00 0.00 33.50 31.23 3iw0 n PRO 235 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iw0 s ALA 236 N -0.52 2.39 -1.05 0.55 0.00 -1.26 -5.07 121.76 116.80 3iw0 s ALA 236 Ca 0.60 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.76 3iw0 s ALA 236 Cb -0.53 0.92 0.11 0.00 0.00 0.00 0.00 23.12 23.62 3iw0 s ALA 236 CO 0.55 -0.41 1.34 0.34 0.00 0.00 0.00 175.76 177.58 3iw0 s ASP 237 N -3.48 6.71 0.31 0.00 -1.08 -1.26 -4.69 116.67 113.18 3iw0 s ASP 237 Ca 0.31 -2.13 -0.11 0.00 -0.52 0.00 0.00 52.55 50.10 3iw0 s ASP 237 Cb 0.05 -2.46 0.01 0.00 -1.46 0.00 0.00 42.92 39.06 3iw0 s ASP 237 CO 0.16 -1.13 0.58 1.51 0.52 0.00 0.00 175.17 176.82 3iw0 s ASP 238 N 3.88 0.22 0.15 -0.34 1.47 -1.26 -5.07 116.67 115.72 3iw0 s ASP 238 Ca 0.40 -1.12 -0.12 0.00 1.18 0.00 0.00 52.55 52.90 3iw0 s ASP 238 Cb -0.02 0.69 0.02 0.00 -0.34 0.00 0.00 42.92 43.27 3iw0 s ASP 238 CO -0.06 -1.34 1.60 0.40 0.68 0.00 0.00 175.17 176.45 3iw0 h ILE 239 N 2.12 1.26 -0.40 2.11 1.08 -1.92 -2.58 117.51 119.19 3iw0 h ILE 239 Ca -0.27 -1.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.09 3iw0 h ILE 239 Cb 1.25 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.94 3iw0 h ILE 239 CO 0.36 0.39 0.26 0.58 -0.69 0.00 0.00 178.15 179.05 3iw0 h VAL 240 N 0.77 1.11 -0.80 1.67 2.07 -1.85 -0.97 116.25 118.25 3iw0 h VAL 240 Ca 0.14 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.50 3iw0 h VAL 240 Cb 0.54 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3iw0 h VAL 240 CO 0.03 0.10 0.50 0.74 0.02 0.00 0.00 177.57 178.96 3iw0 h THR 241 N 0.54 1.08 -0.71 2.57 2.02 -1.82 -1.82 112.91 114.77 3iw0 h THR 241 Ca 0.15 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 3iw0 h THR 241 Cb -0.05 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.37 3iw0 h THR 241 CO -0.03 0.17 0.37 1.56 0.37 0.00 0.00 175.52 177.97 3iw0 h GLN 242 N 0.95 0.98 -0.19 6.66 4.20 -0.97 -1.49 115.11 125.26 3iw0 h GLN 242 Ca 0.34 -0.11 -0.14 0.00 0.06 0.00 0.00 58.65 58.79 3iw0 h GLN 242 Cb 0.09 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3iw0 h GLN 242 CO -0.14 0.73 -0.49 -0.07 -0.67 0.00 0.00 178.83 178.19 3iw0 h LEU 243 N 0.99 0.55 -1.64 1.46 3.38 -0.41 -3.26 115.31 116.37 3iw0 h LEU 243 Ca 0.25 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3iw0 h LEU 243 Cb 0.04 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3iw0 h LEU 243 CO -0.04 0.95 -0.09 2.30 0.09 0.00 0.00 178.44 181.65 3iw0 n ILE 244 N -3.98 0.00 -3.88 1.22 -5.35 -0.79 -0.84 119.36 105.75 3iw0 n ILE 244 Ca -0.02 -0.43 -0.36 0.00 -0.27 0.00 0.00 62.75 61.67 3iw0 n ILE 244 Cb 0.56 1.33 -0.07 0.00 -1.74 0.00 0.00 39.64 39.73 3iw0 n ILE 244 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3iw0 s GLN 245 N -2.09 3.64 0.29 6.28 -0.21 -0.58 -4.72 119.66 122.27 3iw0 s GLN 245 Ca 0.27 -0.18 -0.30 0.00 0.02 0.00 0.00 55.36 55.17 3iw0 s GLN 245 Cb 0.20 -3.23 -0.12 0.00 1.00 0.00 0.00 33.01 30.85 3iw0 s GLN 245 CO 0.35 0.62 1.47 0.00 -2.12 0.00 0.00 175.29 175.61 3iw0 n ALA 246 N 2.49 1.78 -1.29 6.09 0.00 -1.26 -4.61 120.51 123.71 3iw0 n ALA 246 Ca -0.19 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.59 3iw0 n ALA 246 Cb 0.54 -2.35 0.04 0.00 0.00 0.00 0.00 19.45 17.67 3iw0 n ALA 246 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iw0 n ASP 247 N 1.82 0.04 -0.33 0.00 5.75 -0.46 -4.82 116.55 118.55 3iw0 n ASP 247 Ca 0.09 -1.11 0.17 0.00 -0.01 0.00 0.00 54.79 53.93 3iw0 n ASP 247 Cb 0.35 -0.19 0.41 0.00 -1.03 0.00 0.00 41.12 40.65 3iw0 n ASP 247 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3iw0 h ILE 248 N -1.08 0.60 -0.08 2.12 1.08 -1.95 0.49 117.51 118.67 3iw0 h ILE 248 Ca -0.08 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 3iw0 h ILE 248 Cb 0.23 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 33.95 3iw0 h ILE 248 CO 0.06 0.11 0.00 0.47 -0.69 0.00 0.00 178.15 178.10 3iw0 n ASP 249 N -4.75 0.93 0.00 1.72 8.00 -1.26 -4.88 116.55 116.31 3iw0 n ASP 249 Ca 0.25 -1.56 0.00 0.00 0.71 0.00 0.00 54.79 54.19 3iw0 n ASP 249 Cb 0.72 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 3iw0 n ASP 249 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iw0 n GLY 250 N 0.99 0.51 3.76 0.44 0.00 0.16 -5.01 105.19 106.04 3iw0 n GLY 250 Ca 0.16 -0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3iw0 n GLY 250 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iw0 s GLU 251 N -0.04 4.61 -0.01 1.61 0.41 -1.26 -4.58 118.70 119.44 3iw0 s GLU 251 Ca 0.00 1.22 -0.29 0.00 -0.41 0.00 0.00 54.97 55.50 3iw0 s GLU 251 Cb 0.00 -3.31 0.10 0.00 -1.78 0.00 0.00 34.13 29.14 3iw0 s GLU 251 CO 0.00 0.43 0.88 -1.59 -0.49 0.00 0.00 175.26 174.49 3iw0 s LYS 252 N -0.66 0.83 -0.03 1.61 -2.85 -1.26 -1.35 119.74 116.02 3iw0 s LYS 252 Ca 0.39 -0.27 -0.30 0.00 -1.00 0.00 0.00 55.97 54.79 3iw0 s LYS 252 Cb -0.23 0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 35.89 3iw0 s LYS 252 CO 0.27 -0.35 1.08 -0.51 0.10 0.00 0.00 175.35 175.93 3iw0 s LEU 253 N -2.38 4.32 1.07 2.77 1.43 -0.02 -5.01 118.68 120.86 3iw0 s LEU 253 Ca 0.04 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 54.74 3iw0 s LEU 253 Cb -0.01 -3.57 0.23 0.00 0.03 0.00 0.00 46.19 42.87 3iw0 s LEU 253 CO -0.08 -0.42 1.07 -0.44 0.23 0.00 0.00 176.35 176.71 3iw0 s SER 254 N 1.14 1.95 0.10 2.29 0.01 -1.26 -4.55 113.70 113.38 3iw0 s SER 254 Ca 0.53 1.28 -0.19 0.00 1.31 0.00 0.00 55.95 58.88 3iw0 s SER 254 Cb -0.23 -1.99 -0.07 0.00 0.21 0.00 0.00 66.02 63.94 3iw0 s SER 254 CO 0.24 -3.56 1.63 0.44 0.41 0.00 0.00 173.24 172.40 3iw0 h ASP 255 N -2.19 0.35 -0.81 2.44 5.19 -1.96 -0.15 116.42 119.27 3iw0 h ASP 255 Ca -0.58 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 55.66 3iw0 h ASP 255 Cb 1.33 -0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.71 3iw0 h ASP 255 CO 0.55 0.43 0.52 -2.24 -3.12 0.00 0.00 179.24 175.39 3iw0 h ASP 256 N 0.24 0.95 -0.77 6.45 2.03 -1.94 0.24 116.42 123.62 3iw0 h ASP 256 Ca 0.08 -0.04 -0.05 0.00 -0.73 0.00 0.00 57.03 56.29 3iw0 h ASP 256 Cb 0.20 -0.24 -0.03 0.00 -0.83 0.00 0.00 39.33 38.43 3iw0 h ASP 256 CO -0.00 0.71 0.28 -0.33 -1.03 0.00 0.00 179.24 178.87 3iw0 h GLU 257 N 1.11 1.18 -0.39 4.15 5.08 -1.74 0.79 114.58 124.77 3iw0 h GLU 257 Ca 0.30 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3iw0 h GLU 257 Cb -0.09 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 3iw0 h GLU 257 CO -0.06 0.97 0.22 0.35 -1.00 0.00 0.00 179.01 179.49 3iw0 h PHE 258 N 1.14 0.52 -0.42 4.33 3.57 -0.21 -0.02 116.94 125.85 3iw0 h PHE 258 Ca 0.25 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.83 3iw0 h PHE 258 Cb 0.26 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.75 3iw0 h PHE 258 CO 0.02 0.39 -0.11 0.78 -2.23 0.00 0.00 178.31 177.17 3iw0 h GLY 259 N 0.50 0.30 2.00 2.40 0.00 -0.39 -1.44 103.07 106.45 3iw0 h GLY 259 Ca 0.14 0.14 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 3iw0 h GLY 259 CO -0.02 -0.16 -0.33 0.74 0.00 0.00 0.00 176.54 176.76 3iw0 h PHE 260 N -0.00 0.00 -0.22 5.60 0.04 -0.56 -1.29 116.94 120.50 3iw0 h PHE 260 Ca 0.20 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.96 3iw0 h PHE 260 Cb 0.31 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.45 3iw0 h PHE 260 CO -0.37 0.33 0.09 0.35 -0.60 0.00 0.00 178.31 178.11 3iw0 h PHE 261 N 0.00 0.34 -0.41 -0.55 3.57 -0.53 -1.57 116.94 117.79 3iw0 h PHE 261 Ca -0.00 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 3iw0 h PHE 261 Cb 0.67 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3iw0 h PHE 261 CO 0.00 0.37 0.01 0.28 -2.23 0.00 0.00 178.31 176.74 3iw0 h VAL 262 N 0.21 1.26 -0.92 1.41 2.07 -0.90 -1.44 116.25 117.94 3iw0 h VAL 262 Ca 0.07 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.68 3iw0 h VAL 262 Cb 0.18 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 3iw0 h VAL 262 CO -0.01 0.34 0.58 0.58 0.02 0.00 0.00 177.57 179.08 3iw0 h VAL 263 N 0.55 1.02 -0.05 2.57 2.07 -1.27 -1.01 116.25 120.13 3iw0 h VAL 263 Ca 0.12 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.29 3iw0 h VAL 263 Cb 0.46 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3iw0 h VAL 263 CO 0.02 0.19 0.02 -0.03 0.02 0.00 0.00 177.57 177.79 3iw0 h MET 264 N 1.01 0.05 -0.55 1.57 -1.53 -0.78 -2.80 114.93 111.90 3iw0 h MET 264 Ca 0.42 -0.00 -0.03 0.00 -3.44 0.00 0.00 59.70 56.64 3iw0 h MET 264 Cb 0.25 -0.01 -0.03 0.00 -0.55 0.00 0.00 31.60 31.26 3iw0 h MET 264 CO -0.20 0.03 0.20 -0.07 0.14 0.00 0.00 176.91 177.02 3iw0 h LEU 265 N 0.05 0.74 -2.05 3.39 3.38 -0.70 0.60 115.31 120.73 3iw0 h LEU 265 Ca 0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3iw0 h LEU 265 Cb 0.00 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3iw0 h LEU 265 CO -0.01 0.68 -0.00 0.00 0.09 0.00 0.00 178.44 179.20 3iw0 h ALA 266 N 1.43 1.94 0.00 1.53 0.00 -0.95 -1.02 119.26 122.19 3iw0 h ALA 266 Ca 0.19 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3iw0 h ALA 266 Cb 0.19 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3iw0 h ALA 266 CO -0.01 0.00 -1.75 1.33 0.00 0.00 0.00 179.25 178.82 3iw0 n VAL 267 N -4.45 0.14 0.03 0.00 0.24 -0.72 -4.32 118.33 109.25 3iw0 n VAL 267 Ca -0.03 -0.39 -0.14 0.00 -2.04 0.00 0.00 64.34 61.75 3iw0 n VAL 267 Cb 0.09 0.04 -0.14 0.00 -1.47 0.00 0.00 33.84 32.36 3iw0 n VAL 267 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iw0 h ALA 268 N 1.31 0.47 -0.32 2.33 0.00 0.28 -3.42 119.26 119.92 3iw0 h ALA 268 Ca -0.06 -1.24 0.00 0.00 0.00 0.00 0.00 54.91 53.61 3iw0 h ALA 268 Cb 0.88 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3iw0 h ALA 268 CO 0.00 1.33 0.00 0.41 0.00 0.00 0.00 179.25 180.99 3iw0 n GLY 269 N 1.64 2.97 0.00 0.00 0.00 -0.40 -4.58 105.19 104.82 3iw0 n GLY 269 Ca -0.17 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3iw0 n GLY 269 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3iw0 n ASN 270 N 0.31 0.00 0.26 1.61 5.15 -1.26 -4.46 115.26 116.88 3iw0 n ASN 270 Ca 0.12 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.24 3iw0 n ASN 270 Cb 0.49 0.00 0.71 0.00 -0.53 0.00 0.00 39.78 40.44 3iw0 n ASN 270 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 3iw0 h GLU 271 N 0.00 0.00 0.74 1.20 5.08 -1.85 -1.71 114.58 118.05 3iw0 h GLU 271 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3iw0 h GLU 271 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 3iw0 h GLU 271 CO 0.00 0.12 -0.36 1.79 -1.00 0.00 0.00 179.01 179.56 3iw0 h THR 272 N 0.00 0.00 -0.81 1.13 1.35 -1.85 -0.73 112.91 112.00 3iw0 h THR 272 Ca -0.00 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.62 3iw0 h THR 272 Cb 0.42 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 66.80 3iw0 h THR 272 CO 0.02 0.00 0.46 0.74 -0.25 0.00 0.00 175.52 176.48 3iw0 h THR 273 N -1.22 1.24 -0.41 6.82 2.02 -1.75 -1.86 112.91 117.74 3iw0 h THR 273 Ca -0.10 -0.58 0.08 0.00 0.77 0.00 0.00 66.41 66.58 3iw0 h THR 273 Cb 0.77 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 3iw0 h THR 273 CO 0.17 0.26 -0.01 -0.09 0.37 0.00 0.00 175.52 176.22 3iw0 h ARG 274 N 1.13 0.09 -0.01 6.66 2.43 -1.30 -1.59 114.38 121.79 3iw0 h ARG 274 Ca 0.29 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.34 3iw0 h ARG 274 Cb 0.01 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3iw0 h ARG 274 CO -0.05 0.06 -0.51 -0.91 -1.51 0.00 0.00 179.97 177.05 3iw0 h ASN 275 N 0.09 0.03 -0.71 -3.80 2.35 -0.82 -1.53 115.58 111.20 3iw0 h ASN 275 Ca 0.20 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3iw0 h ASN 275 Cb 0.29 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.62 3iw0 h ASN 275 CO -0.35 0.54 0.45 0.28 -1.65 0.00 0.00 177.43 176.71 3iw0 h SER 276 N 0.03 0.83 -0.03 5.81 0.02 -0.78 -0.98 113.55 118.45 3iw0 h SER 276 Ca -0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3iw0 h SER 276 Cb 0.91 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 3iw0 h SER 276 CO 0.07 0.62 -0.00 0.40 -1.14 0.00 0.00 176.83 176.78 3iw0 h ILE 277 N 0.97 1.25 -0.30 3.27 2.04 -0.68 0.22 117.51 124.29 3iw0 h ILE 277 Ca 0.26 -0.77 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 3iw0 h ILE 277 Cb -0.08 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3iw0 h ILE 277 CO -0.05 0.21 0.15 0.74 0.00 0.00 0.00 178.15 179.19 3iw0 h THR 278 N -0.24 1.15 0.00 -0.27 2.02 -1.29 -1.50 112.91 112.78 3iw0 h THR 278 Ca 0.01 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.67 3iw0 h THR 278 Cb 0.33 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3iw0 h THR 278 CO 0.00 0.15 -0.44 1.56 0.37 0.00 0.00 175.52 177.17 3iw0 h GLN 279 N 0.35 0.00 -0.33 6.66 4.20 -1.17 -0.61 115.11 124.21 3iw0 h GLN 279 Ca 0.10 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3iw0 h GLN 279 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3iw0 h GLN 279 CO -0.01 0.44 0.14 0.78 -0.67 0.00 0.00 178.83 179.50 3iw0 h GLY 280 N 2.64 0.53 1.53 3.46 0.00 -0.37 -0.66 103.07 110.20 3iw0 h GLY 280 Ca -0.00 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 3iw0 h GLY 280 CO 0.06 0.27 -0.29 1.98 0.00 0.00 0.00 176.54 178.55 3iw0 h MET 281 N 0.40 0.54 -0.71 4.80 1.85 -0.90 -1.04 114.93 119.88 3iw0 h MET 281 Ca 0.11 -0.23 0.01 0.00 -0.61 0.00 0.00 59.70 58.99 3iw0 h MET 281 Cb 0.17 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 32.15 3iw0 h MET 281 CO -0.01 0.78 0.47 0.52 -0.40 0.00 0.00 176.91 178.26 3iw0 h MET 282 N 0.47 0.92 -0.60 0.39 2.07 -0.93 -0.45 114.93 116.80 3iw0 h MET 282 Ca 0.06 -0.06 -0.03 0.00 -2.07 0.00 0.00 59.70 57.60 3iw0 h MET 282 Cb 0.75 -0.21 -0.03 0.00 -1.87 0.00 0.00 31.60 30.24 3iw0 h MET 282 CO 0.06 0.61 0.25 0.00 1.07 0.00 0.00 176.91 178.89 3iw0 h ALA 283 N 1.26 0.78 -0.73 6.32 0.00 -0.78 -1.79 119.26 124.32 3iw0 h ALA 283 Ca 0.26 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iw0 h ALA 283 Cb -0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3iw0 h ALA 283 CO -0.06 0.39 0.41 0.74 0.00 0.00 0.00 179.25 180.73 3iw0 h PHE 284 N 0.84 1.00 -0.33 0.00 0.04 -0.85 0.00 116.94 117.65 3iw0 h PHE 284 Ca 0.20 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.93 3iw0 h PHE 284 Cb 0.20 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3iw0 h PHE 284 CO 0.01 0.70 0.13 0.00 -0.60 0.00 0.00 178.31 178.55 3iw0 h ALA 285 N 1.21 1.61 0.00 2.45 0.00 -0.77 -2.22 119.26 121.53 3iw0 h ALA 285 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3iw0 h ALA 285 Cb 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3iw0 h ALA 285 CO -0.04 0.31 -0.45 1.49 0.00 0.00 0.00 179.25 180.55 3iw0 h GLU 286 N 0.46 0.00 -2.16 0.00 4.57 -0.85 -3.39 114.58 113.21 3iw0 h GLU 286 Ca 0.11 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.71 3iw0 h GLU 286 Cb 0.10 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 28.29 3iw0 h GLU 286 CO -0.01 0.00 -0.80 0.72 -1.18 0.00 0.00 179.01 177.74 3iw0 n HIS 287 N -2.85 1.95 -0.26 0.92 8.25 -0.06 -4.97 115.22 118.20 3iw0 n HIS 287 Ca 0.02 -3.91 0.13 0.00 -0.26 0.00 0.00 57.72 53.71 3iw0 n HIS 287 Cb 0.53 -0.46 0.40 0.00 1.12 0.00 0.00 29.99 31.59 3iw0 n HIS 287 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3iw0 h PRO 288 N 4.19 0.61 -0.53 -0.41 0.13 -1.75 -0.34 132.00 133.91 3iw0 h PRO 288 Ca 0.15 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 3iw0 h PRO 288 Cb 0.76 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.72 3iw0 h PRO 288 CO 0.67 0.41 0.10 -0.44 -0.23 0.00 0.00 178.00 178.51 3iw0 h ASP 289 N 0.63 0.77 -0.32 1.44 3.32 -1.93 -0.30 116.42 120.03 3iw0 h ASP 289 Ca 0.46 -0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.24 3iw0 h ASP 289 Cb 0.81 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 3iw0 h ASP 289 CO -0.21 0.78 -0.21 1.56 -1.72 0.00 0.00 179.24 179.45 3iw0 h GLN 290 N 0.79 0.80 -0.67 3.56 1.08 -1.42 -1.35 115.11 117.90 3iw0 h GLN 290 Ca 0.17 -0.32 -0.08 0.00 -1.45 0.00 0.00 58.65 56.98 3iw0 h GLN 290 Cb 0.33 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 3iw0 h GLN 290 CO 0.00 0.94 0.11 2.35 -0.95 0.00 0.00 178.83 181.29 3iw0 h TRP 291 N 0.70 1.16 -0.43 2.96 -0.00 -0.87 0.10 115.95 119.57 3iw0 h TRP 291 Ca 0.10 -0.15 -0.05 0.00 -0.00 0.00 0.00 58.89 58.79 3iw0 h TRP 291 Cb 0.72 -0.32 -0.02 0.00 -0.00 0.00 0.00 29.16 29.54 3iw0 h TRP 291 CO 0.04 0.97 0.08 0.93 -0.00 0.00 0.00 178.44 180.46 3iw0 h GLU 292 N 1.03 0.71 -0.45 2.65 4.39 -0.85 -1.29 114.58 120.76 3iw0 h GLU 292 Ca 0.20 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3iw0 h GLU 292 Cb 0.43 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3iw0 h GLU 292 CO 0.01 0.73 0.28 1.25 -1.16 0.00 0.00 179.01 180.13 3iw0 h LEU 293 N 0.57 0.53 0.01 1.33 5.85 -1.07 -2.31 115.31 120.21 3iw0 h LEU 293 Ca 0.13 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.84 3iw0 h LEU 293 Cb 0.36 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3iw0 h LEU 293 CO 0.01 0.41 -0.17 0.22 -0.34 0.00 0.00 178.44 178.56 3iw0 h TYR 294 N 0.60 -0.45 -0.76 1.25 3.20 -0.50 -1.37 116.97 118.94 3iw0 h TYR 294 Ca 0.16 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.11 3iw0 h TYR 294 Cb -0.03 0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.39 3iw0 h TYR 294 CO -0.04 -0.25 0.50 0.87 -1.64 0.00 0.00 178.16 177.60 3iw0 h LYS 295 N -0.29 0.81 -0.04 1.82 1.57 -1.09 0.43 116.57 119.77 3iw0 h LYS 295 Ca 0.05 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 3iw0 h LYS 295 Cb 0.35 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.48 3iw0 h LYS 295 CO -0.16 0.53 -0.16 -0.22 -0.57 0.00 0.00 179.45 178.87 3iw0 h LYS 296 N 0.83 0.18 0.00 3.15 3.64 -0.98 -3.39 116.57 120.00 3iw0 h LYS 296 Ca 0.32 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3iw0 h LYS 296 Cb 0.21 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3iw0 h LYS 296 CO -0.11 0.79 -0.99 1.33 -2.27 0.00 0.00 179.45 178.19 3iw0 n VAL 297 N -4.59 0.00 -3.68 2.00 0.24 -0.56 -5.04 118.33 106.70 3iw0 n VAL 297 Ca -0.09 -0.25 -0.21 0.00 -2.04 0.00 0.00 64.34 61.75 3iw0 n VAL 297 Cb 0.41 0.60 0.04 0.00 -1.47 0.00 0.00 33.84 33.42 3iw0 n VAL 297 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3iw0 n ARG 298 N -1.56 -5.19 -2.22 7.34 5.12 0.15 -4.88 116.66 115.43 3iw0 n ARG 298 Ca -0.00 0.65 -0.42 0.00 -1.93 0.00 0.00 57.85 56.14 3iw0 n ARG 298 Cb 0.20 -5.28 -0.03 0.00 -1.16 0.00 0.00 32.46 26.19 3iw0 n ARG 298 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3iw0 s PRO 299 N -5.95 4.27 0.44 5.56 0.04 -1.26 -4.88 135.00 133.21 3iw0 s PRO 299 Ca 0.05 1.96 0.30 0.00 0.04 0.00 0.00 61.00 63.35 3iw0 s PRO 299 Cb -0.02 -3.63 1.31 0.00 0.04 0.00 0.00 34.50 32.19 3iw0 s PRO 299 CO 0.80 -0.61 1.90 0.93 0.04 0.00 0.00 177.00 180.05 3iw0 h GLU 300 N 8.04 0.00 -0.01 4.56 5.08 -1.91 -0.82 114.58 129.52 3iw0 h GLU 300 Ca -0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 3iw0 h GLU 300 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 3iw0 h GLU 300 CO 0.91 0.00 0.07 1.79 -1.00 0.00 0.00 179.01 180.78 3iw0 h THR 301 N 0.00 0.08 -0.74 1.13 1.35 -1.90 -2.51 112.91 110.32 3iw0 h THR 301 Ca 0.00 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 65.98 3iw0 h THR 301 Cb 0.37 0.93 -0.05 0.00 -1.73 0.00 0.00 68.15 67.67 3iw0 h THR 301 CO 0.00 0.00 0.49 0.00 -0.25 0.00 0.00 175.52 175.76 3iw0 h ALA 302 N 1.87 1.98 -0.50 6.62 0.00 -0.84 -2.85 119.26 125.54 3iw0 h ALA 302 Ca 0.01 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3iw0 h ALA 302 Cb 0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3iw0 h ALA 302 CO -0.00 -0.16 0.21 0.00 0.00 0.00 0.00 179.25 179.30 3iw0 h ALA 303 N 1.64 0.65 -0.48 0.00 0.00 -1.67 0.46 119.26 119.86 3iw0 h ALA 303 Ca 0.35 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 3iw0 h ALA 303 Cb 0.67 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3iw0 h ALA 303 CO -0.12 0.24 -0.18 -0.44 0.00 0.00 0.00 179.25 178.75 3iw0 h ASP 304 N 0.67 0.97 -0.25 0.00 3.32 -1.71 0.05 116.42 119.47 3iw0 h ASP 304 Ca 0.17 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.78 3iw0 h ASP 304 Cb 0.17 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3iw0 h ASP 304 CO -0.02 1.12 -0.13 -0.08 -1.72 0.00 0.00 179.24 178.42 3iw0 h GLU 305 N 0.84 0.66 -0.32 3.56 4.57 -1.29 0.09 114.58 122.69 3iw0 h GLU 305 Ca 0.12 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 3iw0 h GLU 305 Cb 0.74 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 3iw0 h GLU 305 CO 0.06 0.77 0.16 0.82 -1.18 0.00 0.00 179.01 179.64 3iw0 h ILE 306 N 0.60 1.15 -0.39 2.32 2.04 -0.68 0.10 117.51 122.65 3iw0 h ILE 306 Ca 0.10 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.52 3iw0 h ILE 306 Cb 0.57 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3iw0 h ILE 306 CO 0.04 0.15 0.11 0.58 0.00 0.00 0.00 178.15 179.02 3iw0 h VAL 307 N 0.38 1.22 -0.41 1.67 2.07 -0.77 0.22 116.25 120.64 3iw0 h VAL 307 Ca 0.11 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3iw0 h VAL 307 Cb 0.10 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3iw0 h VAL 307 CO -0.02 0.26 0.19 -0.09 0.02 0.00 0.00 177.57 177.94 3iw0 h ARG 308 N 0.49 0.37 -0.31 1.57 2.43 -0.86 0.11 114.38 118.20 3iw0 h ARG 308 Ca 0.12 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 3iw0 h ARG 308 Cb 0.29 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3iw0 h ARG 308 CO -0.00 0.25 -0.38 2.35 -1.51 0.00 0.00 179.97 180.67 3iw0 h TRP 309 N 0.38 0.86 0.01 2.20 2.91 -0.61 -3.24 115.95 118.47 3iw0 h TRP 309 Ca 0.18 -0.25 -0.23 0.00 1.13 0.00 0.00 58.89 59.72 3iw0 h TRP 309 Cb 0.10 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.54 3iw0 h TRP 309 CO -0.11 0.99 -1.17 0.00 -1.03 0.00 0.00 178.44 177.12 3iw0 h ALA 310 N 0.97 0.43 -5.76 2.65 0.00 -0.42 -3.49 119.26 113.65 3iw0 h ALA 310 Ca 0.05 -1.03 -0.15 0.00 0.00 0.00 0.00 54.91 53.79 3iw0 h ALA 310 Cb 0.92 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3iw0 h ALA 310 CO 0.08 1.31 -0.31 2.41 0.00 0.00 0.00 179.25 182.74 3iw0 n THR 311 N -3.30 -0.88 -0.26 0.00 -1.04 0.39 -4.80 114.28 104.38 3iw0 n THR 311 Ca -0.04 -0.03 0.07 0.00 -2.04 0.00 0.00 64.05 62.02 3iw0 n THR 311 Cb 0.97 -0.78 0.31 0.00 -1.82 0.00 0.00 70.33 69.01 3iw0 n THR 311 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3iw0 h PRO 312 N 0.76 0.82 -5.25 -2.82 0.11 -1.84 -3.27 132.00 120.51 3iw0 h PRO 312 Ca -0.19 -0.05 -0.66 0.00 0.11 0.00 0.00 66.00 65.21 3iw0 h PRO 312 Cb 0.40 -0.19 -0.16 0.00 0.11 0.00 0.00 31.00 31.16 3iw0 h PRO 312 CO 0.11 0.54 0.20 0.08 -0.21 0.00 0.00 178.00 178.73 3iw0 s VAL 313 N -5.78 4.73 0.23 3.15 1.01 -1.26 -0.44 120.40 122.04 3iw0 s VAL 313 Ca -0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 3iw0 s VAL 313 Cb 0.21 -4.36 0.14 0.00 0.00 0.00 0.00 36.38 32.36 3iw0 s VAL 313 CO 0.79 -0.88 1.77 0.74 0.00 0.00 0.00 175.10 177.51 3iw0 h THR 314 N 5.91 1.25 -2.00 3.92 2.02 -0.74 -3.42 112.91 119.86 3iw0 h THR 314 Ca -0.27 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 3iw0 h THR 314 Cb 1.09 0.57 -0.21 0.00 -1.74 0.00 0.00 68.15 67.86 3iw0 h THR 314 CO 1.00 0.35 0.14 0.00 0.37 0.00 0.00 175.52 177.37 3iw0 s ALA 315 N -5.28 -1.78 0.13 6.16 0.00 -1.21 -1.15 121.76 118.63 3iw0 s ALA 315 Ca -0.11 1.98 0.09 0.00 0.00 0.00 0.00 51.96 53.91 3iw0 s ALA 315 Cb 0.15 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 3iw0 s ALA 315 CO 0.83 -0.34 -0.20 -0.06 0.00 0.00 0.00 175.76 175.99 3iw0 s PHE 316 N 0.26 1.84 0.37 0.00 0.08 -1.11 -4.67 117.98 114.76 3iw0 s PHE 316 Ca -0.01 -0.44 0.08 0.00 0.12 0.00 0.00 56.93 56.68 3iw0 s PHE 316 Cb -0.05 -0.96 -0.03 0.00 -0.57 0.00 0.00 43.02 41.41 3iw0 s PHE 316 CO 0.02 0.28 0.30 1.14 -0.10 0.00 0.00 175.22 176.86 3iw0 s GLN 317 N -2.34 2.57 0.20 0.44 -2.07 0.05 -0.93 119.66 117.58 3iw0 s GLN 317 Ca 0.11 -1.46 0.00 0.00 -1.82 0.00 0.00 55.36 52.20 3iw0 s GLN 317 Cb -0.08 -2.37 -0.04 0.00 -1.09 0.00 0.00 33.01 29.43 3iw0 s GLN 317 CO 0.06 -0.04 0.07 1.03 -1.32 0.00 0.00 175.29 175.09 3iw0 s ARG 318 N -4.03 1.19 -0.10 9.60 1.81 0.00 -4.44 118.95 122.98 3iw0 s ARG 318 Ca 0.44 -1.61 0.03 0.00 -1.72 0.00 0.00 55.73 52.87 3iw0 s ARG 318 Cb -0.04 -0.03 0.01 0.00 -0.45 0.00 0.00 34.95 34.44 3iw0 s ARG 318 CO 0.26 -0.27 -0.20 0.99 -0.68 0.00 0.00 175.30 175.40 3iw0 s THR 319 N -3.89 1.80 0.01 0.02 2.01 -0.46 -1.14 115.64 113.97 3iw0 s THR 319 Ca 0.32 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 3iw0 s THR 319 Cb 0.07 -1.58 -0.07 0.00 0.01 0.00 0.00 72.50 70.93 3iw0 s THR 319 CO 0.08 0.50 1.71 0.00 -0.69 0.00 0.00 174.62 176.23 3iw0 s ALA 320 N 0.58 3.63 -0.83 7.40 0.00 -0.25 -0.59 121.76 131.70 3iw0 s ALA 320 Ca -0.14 1.11 0.26 0.00 0.00 0.00 0.00 51.96 53.18 3iw0 s ALA 320 Cb -0.17 -3.75 0.72 0.00 0.00 0.00 0.00 23.12 19.92 3iw0 s ALA 320 CO 0.05 -1.33 1.61 1.28 0.00 0.00 0.00 175.76 177.36 3iw0 n LEU 321 N 6.68 0.51 -3.85 0.00 4.77 0.60 -0.37 117.00 125.34 3iw0 n LEU 321 Ca 0.17 0.33 -0.09 0.00 -0.03 0.00 0.00 56.01 56.40 3iw0 n LEU 321 Cb 0.42 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 3iw0 n LEU 321 CO 0.64 -0.03 0.27 0.00 -1.33 0.00 0.00 177.39 176.93 3iw0 s ARG 322 N -3.07 1.50 0.48 3.23 1.70 -1.26 -4.84 118.95 116.70 3iw0 s ARG 322 Ca 0.10 -1.02 -0.24 0.00 -0.47 0.00 0.00 55.73 54.10 3iw0 s ARG 322 Cb 0.15 0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 34.98 3iw0 s ARG 322 CO 0.64 -0.64 1.42 -0.25 -1.08 0.00 0.00 175.30 175.38 3iw0 n ASP 323 N -0.37 3.17 -3.69 -2.89 8.00 -1.26 -4.01 116.55 115.49 3iw0 n ASP 323 Ca -0.06 1.08 -0.11 0.00 0.71 0.00 0.00 54.79 56.41 3iw0 n ASP 323 Cb 0.62 -1.60 -0.10 0.00 -0.02 0.00 0.00 41.12 40.02 3iw0 n ASP 323 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3iw0 s TYR 324 N -1.22 -0.67 -0.39 1.24 5.04 -0.16 -4.92 117.35 116.27 3iw0 s TYR 324 Ca 0.65 1.47 -0.17 0.00 -2.44 0.00 0.00 57.07 56.57 3iw0 s TYR 324 Cb -0.44 0.31 0.01 0.00 0.35 0.00 0.00 41.96 42.19 3iw0 s TYR 324 CO 0.55 -0.35 0.45 -2.00 -1.34 0.00 0.00 175.55 172.86 3iw0 s GLU 325 N 1.07 3.35 -0.31 4.97 2.12 -1.26 -0.19 118.70 128.45 3iw0 s GLU 325 Ca -0.07 -0.51 -0.05 0.00 0.36 0.00 0.00 54.97 54.71 3iw0 s GLU 325 Cb -0.06 -3.89 0.03 0.00 0.26 0.00 0.00 34.13 30.47 3iw0 s GLU 325 CO -0.10 -0.74 0.05 -1.17 -0.54 0.00 0.00 175.26 172.77 3iw0 s LEU 326 N 2.22 3.93 -1.52 2.70 2.96 0.15 -4.69 118.68 124.43 3iw0 s LEU 326 Ca 0.14 -0.99 -0.03 0.00 -0.22 0.00 0.00 54.13 53.03 3iw0 s LEU 326 Cb -0.16 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.74 3iw0 s LEU 326 CO 0.14 -0.24 0.27 -1.20 -1.32 0.00 0.00 176.35 173.99 3iw0 n SER 327 N 4.77 -0.07 0.00 3.68 7.64 -1.26 -1.23 113.62 127.16 3iw0 n SER 327 Ca -0.14 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.60 3iw0 n SER 327 Cb 0.46 -2.29 0.00 0.00 -1.01 0.00 0.00 64.21 61.37 3iw0 n SER 327 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iw0 n GLY 328 N -2.15 1.12 3.55 0.23 0.00 -1.26 -5.02 105.19 101.66 3iw0 n GLY 328 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 3iw0 n GLY 328 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iw0 s VAL 329 N -3.47 4.19 -0.63 1.61 1.01 -0.36 -5.06 120.40 117.68 3iw0 s VAL 329 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 61.98 61.47 3iw0 s VAL 329 Cb 0.00 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.57 3iw0 s VAL 329 CO 0.00 0.49 1.11 -1.10 0.00 0.00 0.00 175.10 175.60 3iw0 s GLN 330 N 0.26 3.31 0.02 2.72 -1.52 -1.26 -0.67 119.66 122.52 3iw0 s GLN 330 Ca -0.01 -0.19 -0.24 0.00 -1.95 0.00 0.00 55.36 52.97 3iw0 s GLN 330 Cb -0.13 -4.10 -0.05 0.00 -0.22 0.00 0.00 33.01 28.50 3iw0 s GLN 330 CO 0.02 -1.77 0.72 0.42 -0.25 0.00 0.00 175.29 174.43 3iw0 s ILE 331 N 4.74 4.82 0.05 1.08 -1.09 0.74 -4.95 121.20 126.58 3iw0 s ILE 331 Ca 0.34 1.52 0.01 0.00 -2.23 0.00 0.00 60.65 60.28 3iw0 s ILE 331 Cb -0.11 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.67 3iw0 s ILE 331 CO 0.19 0.36 0.14 -0.54 -1.23 0.00 0.00 174.94 173.86 3iw0 s LYS 332 N 0.04 3.20 -0.01 2.79 -0.14 -1.26 -0.99 119.74 123.38 3iw0 s LYS 332 Ca 0.37 -0.51 -0.38 0.00 -1.36 0.00 0.00 55.97 54.08 3iw0 s LYS 332 Cb -0.20 -2.92 -0.18 0.00 -1.68 0.00 0.00 37.83 32.86 3iw0 s LYS 332 CO 0.21 0.61 1.32 1.17 -0.76 0.00 0.00 175.35 177.90 3iw0 n LYS 333 N 0.57 0.78 0.00 1.68 4.81 -1.26 -1.50 118.16 123.24 3iw0 n LYS 333 Ca -0.08 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 3iw0 n LYS 333 Cb 0.52 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.68 3iw0 n LYS 333 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iw0 n GLY 334 N 2.50 3.08 3.77 3.14 0.00 0.50 -4.97 105.19 113.21 3iw0 n GLY 334 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3iw0 n GLY 334 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iw0 s GLN 335 N -0.85 4.34 0.12 1.61 -0.21 -0.56 -4.71 119.66 119.39 3iw0 s GLN 335 Ca 0.00 1.64 -0.24 0.00 0.02 0.00 0.00 55.36 56.78 3iw0 s GLN 335 Cb 0.00 -2.79 -0.07 0.00 1.00 0.00 0.00 33.01 31.14 3iw0 s GLN 335 CO 0.00 -0.02 0.73 1.03 -2.12 0.00 0.00 175.29 174.91 3iw0 s ARG 336 N -2.09 4.47 -0.09 2.91 0.52 -1.26 -1.09 118.95 122.32 3iw0 s ARG 336 Ca 0.53 1.04 0.02 0.00 -0.52 0.00 0.00 55.73 56.80 3iw0 s ARG 336 Cb -0.26 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 31.92 3iw0 s ARG 336 CO 0.33 0.54 -0.16 0.14 0.02 0.00 0.00 175.30 176.17 3iw0 s VAL 337 N -0.95 2.83 -0.23 3.52 -7.23 -0.29 -1.28 120.40 116.76 3iw0 s VAL 337 Ca 0.35 -0.77 -0.02 0.00 -1.81 0.00 0.00 61.98 59.73 3iw0 s VAL 337 Cb -0.22 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.60 3iw0 s VAL 337 CO 0.24 0.55 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.83 3iw0 s VAL 338 N -0.03 2.97 -0.54 1.32 1.01 0.72 -0.82 120.40 125.03 3iw0 s VAL 338 Ca -0.04 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 3iw0 s VAL 338 Cb -0.14 -2.44 0.04 0.00 0.00 0.00 0.00 36.38 33.84 3iw0 s VAL 338 CO 0.04 0.29 0.94 -0.04 0.00 0.00 0.00 175.10 176.34 3iw0 s MET 339 N 1.37 3.35 -1.00 2.72 -1.94 -0.10 -0.69 119.30 123.00 3iw0 s MET 339 Ca 0.02 -0.23 -0.20 0.00 -1.71 0.00 0.00 55.69 53.58 3iw0 s MET 339 Cb -0.16 -4.04 0.11 0.00 2.01 0.00 0.00 34.83 32.75 3iw0 s MET 339 CO -0.05 -1.46 1.29 -0.06 -0.01 0.00 0.00 175.02 174.73 3iw0 s PHE 340 N 3.94 2.95 0.45 -0.03 0.08 -0.52 -2.76 117.98 122.08 3iw0 s PHE 340 Ca 0.31 -1.29 0.16 0.00 0.12 0.00 0.00 56.93 56.22 3iw0 s PHE 340 Cb -0.12 -4.44 1.09 0.00 -0.57 0.00 0.00 43.02 38.97 3iw0 s PHE 340 CO 0.20 -1.64 1.98 1.88 -0.10 0.00 0.00 175.22 177.54 3iw0 h TYR 341 N 8.93 0.36 -0.51 0.36 0.05 -1.39 -0.91 116.97 123.86 3iw0 h TYR 341 Ca 0.20 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.99 3iw0 h TYR 341 Cb 1.00 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.60 3iw0 h TYR 341 CO 1.21 0.17 0.32 -0.09 -1.05 0.00 0.00 178.16 178.72 3iw0 h ARG 342 N 0.34 0.68 0.03 4.88 9.65 -1.75 -0.47 114.38 127.74 3iw0 h ARG 342 Ca 0.27 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 59.01 3iw0 h ARG 342 Cb 0.60 -0.15 0.01 0.00 -1.39 0.00 0.00 29.97 29.04 3iw0 h ARG 342 CO -0.07 0.47 -0.38 1.03 2.80 0.00 0.00 179.97 183.83 3iw0 h SER 343 N 0.70 0.27 -0.87 -3.80 0.87 -1.49 -3.36 113.55 105.87 3iw0 h SER 343 Ca 0.19 -0.86 0.06 0.00 -1.23 0.00 0.00 61.79 59.95 3iw0 h SER 343 Cb -0.05 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 61.77 3iw0 h SER 343 CO -0.04 1.11 0.57 0.00 -0.53 0.00 0.00 176.83 177.94 3iw0 h ALA 344 N 0.17 1.55 0.00 6.23 0.00 -0.98 -1.93 119.26 124.29 3iw0 h ALA 344 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iw0 h ALA 344 Cb 1.20 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3iw0 h ALA 344 CO 0.07 0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.74 3iw0 n ASN 345 N -4.48 0.00 -0.57 0.00 3.02 -0.21 -2.25 115.26 110.76 3iw0 n ASN 345 Ca 0.13 0.03 0.06 0.00 -0.03 0.00 0.00 54.58 54.77 3iw0 n ASN 345 Cb 0.20 -0.28 0.17 0.00 -0.61 0.00 0.00 39.78 39.25 3iw0 n ASN 345 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3iw0 n PHE 346 N -1.28 0.00 -2.37 3.10 3.72 -0.73 -4.95 117.46 114.94 3iw0 n PHE 346 Ca 0.08 -1.23 -0.43 0.00 -0.05 0.00 0.00 57.45 55.83 3iw0 n PHE 346 Cb 0.14 -0.21 -0.02 0.00 -0.94 0.00 0.00 39.48 38.45 3iw0 n PHE 346 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3iw0 s ASP 347 N -2.95 6.48 0.63 4.37 -1.08 -0.95 -4.84 116.67 118.33 3iw0 s ASP 347 Ca 0.35 1.01 0.40 0.00 -0.52 0.00 0.00 52.55 53.78 3iw0 s ASP 347 Cb 0.34 -2.54 2.15 0.00 -1.46 0.00 0.00 42.92 41.41 3iw0 s ASP 347 CO -0.06 -1.28 2.29 -0.33 0.52 0.00 0.00 175.17 176.31 3iw0 h GLU 348 N 10.11 0.00 0.00 4.34 3.07 -1.91 -1.12 114.58 129.07 3iw0 h GLU 348 Ca -0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 3iw0 h GLU 348 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 3iw0 h GLU 348 CO 1.06 0.01 -0.06 0.93 -1.40 0.00 0.00 179.01 179.55 3iw0 h GLU 349 N 0.00 0.00 0.00 2.33 5.08 -1.98 -3.37 114.58 116.64 3iw0 h GLU 349 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 3iw0 h GLU 349 Cb 0.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3iw0 h GLU 349 CO 0.00 0.00 -2.10 0.28 -1.00 0.00 0.00 179.01 176.19 3iw0 n VAL 350 N -2.72 1.10 -4.33 3.13 0.31 -0.51 -5.00 118.33 110.31 3iw0 n VAL 350 Ca 0.04 -0.43 -0.34 0.00 -0.01 0.00 0.00 64.34 63.60 3iw0 n VAL 350 Cb 0.49 -1.16 -0.09 0.00 -0.91 0.00 0.00 33.84 32.17 3iw0 n VAL 350 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3iw0 s PHE 351 N -2.39 3.15 -0.31 3.52 0.08 -0.71 -5.03 117.98 116.29 3iw0 s PHE 351 Ca -0.25 0.17 -0.27 0.00 0.12 0.00 0.00 56.93 56.70 3iw0 s PHE 351 Cb 0.07 -1.76 0.01 0.00 -0.57 0.00 0.00 43.02 40.77 3iw0 s PHE 351 CO 0.45 0.48 0.97 1.14 -0.10 0.00 0.00 175.22 178.16 3iw0 s GLN 352 N -1.09 4.03 -0.95 0.44 -2.07 -1.26 -4.19 119.66 114.57 3iw0 s GLN 352 Ca 0.15 0.90 -0.05 0.00 -1.82 0.00 0.00 55.36 54.54 3iw0 s GLN 352 Cb -0.11 -3.73 -0.05 0.00 -1.09 0.00 0.00 33.01 28.02 3iw0 s GLN 352 CO 0.05 -0.81 0.84 -0.25 -1.32 0.00 0.00 175.29 173.80 3iw0 n ASP 353 N 6.60 -6.74 0.24 12.60 8.00 -1.26 -4.88 116.55 131.10 3iw0 n ASP 353 Ca 0.09 -0.55 0.14 0.00 0.71 0.00 0.00 54.79 55.18 3iw0 n ASP 353 Cb 0.47 -5.08 0.80 0.00 -0.02 0.00 0.00 41.12 37.29 3iw0 n ASP 353 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3iw0 h PRO 354 N -0.72 0.00 -0.32 -0.24 0.13 -1.89 -1.27 132.00 127.69 3iw0 h PRO 354 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3iw0 h PRO 354 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3iw0 h PRO 354 CO 0.40 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.36 3iw0 n PHE 355 N -4.08 0.43 -3.31 1.56 3.72 -1.26 -4.72 117.46 109.80 3iw0 n PHE 355 Ca -0.01 -0.21 -0.39 0.00 -0.05 0.00 0.00 57.45 56.79 3iw0 n PHE 355 Cb 0.19 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.65 3iw0 n PHE 355 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3iw0 s THR 356 N -1.57 5.14 -0.47 4.37 2.01 -0.48 -5.06 115.64 119.58 3iw0 s THR 356 Ca 0.26 0.81 -0.27 0.00 0.31 0.00 0.00 61.69 62.80 3iw0 s THR 356 Cb 0.14 -3.78 0.03 0.00 0.01 0.00 0.00 72.50 68.89 3iw0 s THR 356 CO 0.18 0.19 1.03 0.12 -0.69 0.00 0.00 174.62 175.45 3iw0 s PHE 357 N 1.67 2.86 -0.32 4.92 5.36 -1.26 -4.99 117.98 126.22 3iw0 s PHE 357 Ca 0.21 0.53 -0.00 0.00 -0.96 0.00 0.00 56.93 56.70 3iw0 s PHE 357 Cb -0.15 -4.21 0.10 0.00 -0.34 0.00 0.00 43.02 38.42 3iw0 s PHE 357 CO 0.09 -1.20 0.10 1.21 -1.46 0.00 0.00 175.22 173.96 3iw0 s ASN 358 N 2.39 4.09 0.00 6.13 2.47 -1.26 -4.94 114.94 123.81 3iw0 s ASN 358 Ca 0.42 -1.74 0.09 0.00 0.42 0.00 0.00 52.86 52.05 3iw0 s ASN 358 Cb -0.09 -0.95 0.40 0.00 -1.45 0.00 0.00 41.25 39.17 3iw0 s ASN 358 CO 0.29 -0.40 1.26 2.30 -3.72 0.00 0.00 177.10 176.83 3iw0 n ILE 359 N 4.72 1.25 0.72 -5.21 -5.35 -1.26 -1.59 119.36 112.64 3iw0 n ILE 359 Ca -0.01 0.31 0.12 0.00 -0.27 0.00 0.00 62.75 62.90 3iw0 n ILE 359 Cb 0.42 -1.16 0.15 0.00 -1.74 0.00 0.00 39.64 37.31 3iw0 n ILE 359 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3iw0 n LEU 360 N -1.45 3.19 -4.65 7.28 4.77 -1.26 -2.52 117.00 122.36 3iw0 n LEU 360 Ca 0.03 -1.20 -0.52 0.00 -0.03 0.00 0.00 56.01 54.29 3iw0 n LEU 360 Cb 0.10 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3iw0 n LEU 360 CO 0.08 0.60 1.15 -1.14 -1.33 0.00 0.00 177.39 176.75 3iw0 n ARG 361 N 1.40 1.49 -3.42 3.23 0.63 -0.62 -4.93 116.66 114.45 3iw0 n ARG 361 Ca 0.16 0.54 0.01 0.00 -0.92 0.00 0.00 57.85 57.65 3iw0 n ARG 361 Cb 0.60 -2.25 -0.04 0.00 0.45 0.00 0.00 32.46 31.23 3iw0 n ARG 361 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3iw0 s ASN 362 N 1.81 -0.78 0.83 6.15 3.84 -1.26 -4.34 114.94 121.19 3iw0 s ASN 362 Ca 0.88 0.95 -0.11 0.00 0.21 0.00 0.00 52.86 54.79 3iw0 s ASN 362 Cb -0.89 1.84 0.09 0.00 -0.55 0.00 0.00 41.25 41.74 3iw0 s ASN 362 CO 0.50 -0.15 1.09 -2.16 -2.79 0.00 0.00 177.10 173.60 3iw0 s PRO 363 N 2.65 1.82 -0.53 0.43 0.04 -1.26 -5.15 135.00 133.00 3iw0 s PRO 363 Ca -0.01 1.07 0.04 0.00 0.04 0.00 0.00 61.00 62.14 3iw0 s PRO 363 Cb -0.09 -1.85 0.17 0.00 0.04 0.00 0.00 34.50 32.77 3iw0 s PRO 363 CO -0.18 -1.92 0.39 1.21 0.04 0.00 0.00 177.00 176.54 3iw0 s ASN 364 N -3.36 2.93 -0.16 6.66 3.84 -1.26 -5.01 114.94 118.58 3iw0 s ASN 364 Ca 0.62 -3.34 -0.05 0.00 0.21 0.00 0.00 52.86 50.30 3iw0 s ASN 364 Cb -0.18 -0.95 -0.14 0.00 -0.55 0.00 0.00 41.25 39.44 3iw0 s ASN 364 CO 0.57 -0.14 3.26 -0.81 -2.79 0.00 0.00 177.10 177.18 3iw0 n PRO 365 N 2.56 2.11 -1.40 0.43 -0.04 -1.26 -4.94 135.00 132.46 3iw0 n PRO 365 Ca 0.24 -1.45 -0.31 0.00 -0.04 0.00 0.00 63.50 61.95 3iw0 n PRO 365 Cb 0.42 -2.01 0.08 0.00 -0.04 0.00 0.00 33.50 31.94 3iw0 n PRO 365 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3iw0 s HIS 366 N -0.02 2.81 -0.26 0.54 -3.43 -1.26 -4.98 115.29 108.69 3iw0 s HIS 366 Ca 0.62 1.47 0.12 0.00 -0.80 0.00 0.00 55.06 56.46 3iw0 s HIS 366 Cb 0.33 -2.98 0.53 0.00 -1.43 0.00 0.00 32.58 29.03 3iw0 s HIS 366 CO -0.08 -1.58 1.49 1.33 -2.00 0.00 0.00 174.74 173.90 3iw0 n VAL 367 N -3.37 2.50 -0.26 -5.38 0.24 -1.26 -4.67 118.33 106.14 3iw0 n VAL 367 Ca 0.08 -2.31 0.20 0.00 -2.04 0.00 0.00 64.34 60.27 3iw0 n VAL 367 Cb 0.53 -0.31 0.51 0.00 -1.47 0.00 0.00 33.84 33.11 3iw0 n VAL 367 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3iw0 h GLY 368 N 1.36 0.91 -2.70 7.63 0.00 -1.89 -0.83 103.07 107.56 3iw0 h GLY 368 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.31 3iw0 h GLY 368 CO 0.38 -0.03 0.00 0.69 0.00 0.00 0.00 176.54 177.59 3iw0 n PHE 369 N -4.52 1.30 0.00 5.60 3.72 -1.26 -4.75 117.46 117.55 3iw0 n PHE 369 Ca 0.20 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 3iw0 n PHE 369 Cb 0.74 -0.24 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3iw0 n PHE 369 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iw0 n GLY 370 N 0.95 0.65 3.80 1.37 0.00 -0.32 -1.88 105.19 109.76 3iw0 n GLY 370 Ca 0.22 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 3iw0 n GLY 370 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iw0 s GLY 371 N -0.71 2.34 0.38 -0.02 0.00 -1.26 -4.50 107.32 103.55 3iw0 s GLY 371 Ca 0.00 0.49 -0.27 0.00 0.00 0.00 0.00 44.72 44.94 3iw0 s GLY 371 CO 0.00 0.81 1.35 -1.30 0.00 0.00 0.00 173.10 173.96 3iw0 n THR 372 N -1.35 2.20 -2.69 0.90 -2.24 -1.26 -4.44 114.28 105.40 3iw0 n THR 372 Ca 0.09 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3iw0 n THR 372 Cb 0.53 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 67.05 3iw0 n THR 372 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3iw0 n GLY 373 N 0.67 -0.47 0.36 3.38 0.00 -1.26 -3.58 105.19 104.29 3iw0 n GLY 373 Ca 0.04 -1.43 0.02 0.00 0.00 0.00 0.00 46.02 44.64 3iw0 n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iw0 h ALA 374 N 0.00 1.47 -0.11 4.61 0.00 -1.89 -2.48 119.26 120.86 3iw0 h ALA 374 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iw0 h ALA 374 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3iw0 h ALA 374 CO 0.00 0.46 0.00 0.72 0.00 0.00 0.00 179.25 180.43 3iw0 n HIS 375 N -4.44 0.11 -1.48 0.00 -0.00 -1.26 -5.00 115.22 103.16 3iw0 n HIS 375 Ca 0.10 -0.06 -0.54 0.00 -0.00 0.00 0.00 57.72 57.22 3iw0 n HIS 375 Cb 0.08 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.01 3iw0 n HIS 375 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 3iw0 n TYR 376 N 1.15 0.37 -1.51 4.41 9.36 -0.94 -4.59 117.16 125.41 3iw0 n TYR 376 Ca 0.16 0.99 -0.58 0.00 3.32 0.00 0.00 57.90 61.79 3iw0 n TYR 376 Cb 0.55 -2.07 -0.09 0.00 -0.63 0.00 0.00 39.34 37.10 3iw0 n TYR 376 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3iw0 h ILE 378 N 6.23 0.33 -0.41 0.00 2.10 -1.92 -3.06 117.51 120.78 3iw0 h ILE 378 Ca -0.30 -0.75 0.00 0.00 1.08 0.00 0.00 64.86 64.89 3iw0 h ILE 378 Cb 1.36 1.57 0.00 0.00 -1.09 0.00 0.00 36.82 38.66 3iw0 h ILE 378 CO 1.02 0.11 0.00 0.61 -1.08 0.00 0.00 178.15 178.81 3iw0 n GLY 379 N -0.08 1.12 0.19 8.18 0.00 -1.26 -4.65 105.19 108.70 3iw0 n GLY 379 Ca -0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 3iw0 n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iw0 h ALA 380 N 3.99 0.50 -0.10 4.61 0.00 -1.92 0.23 119.26 126.58 3iw0 h ALA 380 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.88 3iw0 h ALA 380 Cb 0.65 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3iw0 h ALA 380 CO 0.00 -0.35 -0.61 -0.91 0.00 0.00 0.00 179.25 177.38 3iw0 h ASN 381 N 0.17 0.40 -0.74 0.00 2.35 -1.88 -0.77 115.58 115.12 3iw0 h ASN 381 Ca 0.24 -0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3iw0 h ASN 381 Cb 0.35 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 3iw0 h ASN 381 CO -0.36 0.91 0.47 0.25 -1.65 0.00 0.00 177.43 177.05 3iw0 h LEU 382 N 0.26 0.87 -0.11 1.61 5.85 -1.65 -1.35 115.31 120.79 3iw0 h LEU 382 Ca -0.01 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3iw0 h LEU 382 Cb 1.14 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 3iw0 h LEU 382 CO 0.10 0.65 0.03 0.00 -0.34 0.00 0.00 178.44 178.88 3iw0 h ALA 383 N 1.25 0.14 -0.76 1.25 0.00 -0.24 -0.37 119.26 120.53 3iw0 h ALA 383 Ca 0.27 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3iw0 h ALA 383 Cb -0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3iw0 h ALA 383 CO -0.05 -0.24 0.47 0.00 0.00 0.00 0.00 179.25 179.42 3iw0 h ARG 384 N -0.02 0.85 -0.32 0.00 3.08 -1.06 -0.62 114.38 116.29 3iw0 h ARG 384 Ca 0.03 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3iw0 h ARG 384 Cb 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3iw0 h ARG 384 CO -0.00 0.56 0.05 1.98 -1.07 0.00 0.00 179.97 181.49 3iw0 h MET 385 N 0.88 0.53 -0.47 0.04 4.05 -1.03 0.27 114.93 119.20 3iw0 h MET 385 Ca 0.32 -0.14 0.09 0.00 -0.28 0.00 0.00 59.70 59.69 3iw0 h MET 385 Cb 0.11 -0.06 -0.07 0.00 -0.80 0.00 0.00 31.60 30.78 3iw0 h MET 385 CO -0.15 0.62 0.03 1.15 0.23 0.00 0.00 176.91 178.79 3iw0 h THR 386 N 0.35 0.67 -0.17 -0.77 2.02 -0.72 -0.27 112.91 114.01 3iw0 h THR 386 Ca 0.10 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3iw0 h THR 386 Cb 0.36 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3iw0 h THR 386 CO 0.01 0.03 0.07 0.40 0.37 0.00 0.00 175.52 176.39 3iw0 h ILE 387 N 0.14 1.16 -0.77 3.11 2.04 -0.76 -1.90 117.51 120.53 3iw0 h ILE 387 Ca 0.23 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.59 3iw0 h ILE 387 Cb 0.34 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3iw0 h ILE 387 CO -0.36 0.15 0.37 0.78 0.00 0.00 0.00 178.15 179.08 3iw0 h ASN 388 N 0.12 1.00 -0.28 1.72 2.35 -0.59 -2.09 115.58 117.81 3iw0 h ASN 388 Ca 0.06 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.62 3iw0 h ASN 388 Cb 0.17 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3iw0 h ASN 388 CO -0.00 0.84 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.44 3iw0 h LEU 389 N 1.09 0.58 -0.55 1.61 3.38 -0.88 -1.87 115.31 118.67 3iw0 h LEU 389 Ca 0.27 -0.40 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 3iw0 h LEU 389 Cb 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3iw0 h LEU 389 CO -0.03 0.85 -0.38 -0.29 0.09 0.00 0.00 178.44 178.68 3iw0 h ILE 390 N 0.32 1.28 -0.05 1.22 6.09 -1.24 -1.97 117.51 123.17 3iw0 h ILE 390 Ca 0.06 -1.54 -0.14 0.00 -1.37 0.00 0.00 64.86 61.87 3iw0 h ILE 390 Cb 0.62 1.44 -0.01 0.00 0.47 0.00 0.00 36.82 39.33 3iw0 h ILE 390 CO 0.04 0.50 -0.62 -0.26 -3.07 0.00 0.00 178.15 174.74 3iw0 h PHE 391 N 0.62 0.22 -0.66 2.19 -1.00 -1.38 0.12 116.94 117.05 3iw0 h PHE 391 Ca 0.06 -0.09 0.01 0.00 2.81 0.00 0.00 57.97 60.76 3iw0 h PHE 391 Cb 0.92 -0.04 -0.03 0.00 3.61 0.00 0.00 35.95 40.41 3iw0 h PHE 391 CO 0.05 0.74 0.44 -0.91 -1.61 0.00 0.00 178.31 177.02 3iw0 h ASN 392 N 0.12 0.77 -0.38 2.17 2.35 -1.24 -0.40 115.58 118.98 3iw0 h ASN 392 Ca -0.01 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3iw0 h ASN 392 Cb 1.12 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 39.28 3iw0 h ASN 392 CO 0.09 0.56 0.16 0.00 -1.65 0.00 0.00 177.43 176.59 3iw0 h ALA 393 N 1.24 0.49 -0.63 -0.83 0.00 -0.85 -0.60 119.26 118.08 3iw0 h ALA 393 Ca 0.24 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3iw0 h ALA 393 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 3iw0 h ALA 393 CO -0.05 0.08 0.40 0.28 0.00 0.00 0.00 179.25 179.96 3iw0 h VAL 394 N 0.47 1.11 -0.66 0.00 2.07 -0.61 -0.79 116.25 117.84 3iw0 h VAL 394 Ca 0.13 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3iw0 h VAL 394 Cb 0.17 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 3iw0 h VAL 394 CO -0.01 0.15 0.41 0.00 0.02 0.00 0.00 177.57 178.13 3iw0 h ALA 395 N 1.26 0.86 -0.45 1.67 0.00 -0.84 0.11 119.26 121.87 3iw0 h ALA 395 Ca 0.25 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3iw0 h ALA 395 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3iw0 h ALA 395 CO -0.08 0.17 -0.18 -0.44 0.00 0.00 0.00 179.25 178.72 3iw0 h ASP 396 N 0.80 0.93 0.00 0.00 3.32 -0.63 -3.30 116.42 117.54 3iw0 h ASP 396 Ca 0.27 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 3iw0 h ASP 396 Cb 0.02 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 3iw0 h ASP 396 CO -0.11 1.11 -1.81 1.41 -1.72 0.00 0.00 179.24 178.13 3iw0 n HIS 397 N -4.20 0.00 -2.96 4.55 8.25 -0.34 -4.75 115.22 115.77 3iw0 n HIS 397 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 3iw0 n HIS 397 Cb 0.43 -0.48 0.01 0.00 1.12 0.00 0.00 29.99 31.07 3iw0 n HIS 397 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iw0 n MET 398 N -2.21 1.04 0.28 -0.41 0.00 0.38 -4.83 117.12 111.36 3iw0 n MET 398 Ca -0.10 -3.10 0.18 0.00 0.00 0.00 0.00 57.70 54.67 3iw0 n MET 398 Cb 0.60 -1.41 0.96 0.00 0.00 0.00 0.00 33.22 33.37 3iw0 n MET 398 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 3iw0 h PRO 399 N 2.95 0.00 -0.40 3.17 0.13 -1.63 -2.70 132.00 133.51 3iw0 h PRO 399 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3iw0 h PRO 399 Cb 1.06 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.15 3iw0 h PRO 399 CO 0.43 0.00 0.04 -0.25 -0.23 0.00 0.00 178.00 177.99 3iw0 n ASP 400 N -3.56 4.02 -4.76 1.44 8.00 -1.26 -5.03 116.55 115.40 3iw0 n ASP 400 Ca -0.01 -3.18 -0.38 0.00 0.71 0.00 0.00 54.79 51.93 3iw0 n ASP 400 Cb 0.18 -0.61 0.02 0.00 -0.02 0.00 0.00 41.12 40.69 3iw0 n ASP 400 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 3iw0 s LEU 401 N -2.93 3.90 -0.02 0.64 0.05 -1.02 -4.75 118.68 114.56 3iw0 s LEU 401 Ca 0.46 2.61 -0.02 0.00 0.05 0.00 0.00 54.13 57.23 3iw0 s LEU 401 Cb 0.38 -4.27 0.00 0.00 -2.05 0.00 0.00 46.19 40.26 3iw0 s LEU 401 CO 0.09 -1.35 0.05 -0.54 -0.55 0.00 0.00 176.35 174.05 3iw0 s LYS 402 N -2.84 0.08 0.58 1.48 3.01 -0.16 -4.99 119.74 116.90 3iw0 s LYS 402 Ca 0.69 0.04 -0.19 0.00 -1.01 0.00 0.00 55.97 55.50 3iw0 s LYS 402 Cb -0.36 0.04 -0.04 0.00 -1.01 0.00 0.00 37.83 36.45 3iw0 s LYS 402 CO 0.43 -0.01 1.18 -1.25 0.51 0.00 0.00 175.35 176.21 3iw0 s PRO 403 N -0.07 3.10 -0.26 -1.68 0.04 -1.26 -0.01 135.00 134.87 3iw0 s PRO 403 Ca -0.01 1.74 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 3iw0 s PRO 403 Cb -0.01 -1.96 -0.16 0.00 0.04 0.00 0.00 34.50 32.41 3iw0 s PRO 403 CO 0.00 -1.08 -0.22 -0.89 0.04 0.00 0.00 177.00 174.85 3iw0 n ILE 404 N -1.51 1.52 -4.11 0.56 5.41 0.65 -4.73 119.36 117.15 3iw0 n ILE 404 Ca 0.13 -0.53 -0.11 0.00 1.00 0.00 0.00 62.75 63.24 3iw0 n ILE 404 Cb 0.50 -1.55 -0.07 0.00 -0.71 0.00 0.00 39.64 37.80 3iw0 n ILE 404 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3iw0 s SER 405 N -6.78 0.19 0.50 4.38 1.04 -1.17 -5.05 113.70 106.83 3iw0 s SER 405 Ca -0.35 -1.23 -0.22 0.00 0.48 0.00 0.00 55.95 54.63 3iw0 s SER 405 Cb 0.10 0.50 -0.06 0.00 0.10 0.00 0.00 66.02 66.66 3iw0 s SER 405 CO 0.59 -1.02 1.20 0.00 0.98 0.00 0.00 173.24 174.99 3iw0 s ALA 406 N -3.96 2.85 0.60 5.32 0.00 -1.26 -4.31 121.76 120.99 3iw0 s ALA 406 Ca 0.32 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 53.08 3iw0 s ALA 406 Cb 0.03 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 3iw0 s ALA 406 CO 0.12 -0.86 1.27 -2.14 0.00 0.00 0.00 175.76 174.15 3iw0 s PRO 407 N -2.91 2.89 -0.37 0.00 0.02 -1.26 -4.72 135.00 128.66 3iw0 s PRO 407 Ca 0.68 2.01 -0.15 0.00 0.02 0.00 0.00 61.00 63.56 3iw0 s PRO 407 Cb -0.30 -1.99 -0.00 0.00 0.02 0.00 0.00 34.50 32.22 3iw0 s PRO 407 CO 0.35 -1.32 0.33 -1.21 -0.33 0.00 0.00 177.00 174.83 3iw0 s GLU 408 N -3.22 3.37 0.54 5.54 2.02 0.19 -5.01 118.70 122.12 3iw0 s GLU 408 Ca 0.77 -0.63 -0.15 0.00 0.02 0.00 0.00 54.97 54.98 3iw0 s GLU 408 Cb -0.35 -3.86 -0.07 0.00 0.10 0.00 0.00 34.13 29.94 3iw0 s GLU 408 CO 0.39 -0.60 0.99 1.03 0.02 0.00 0.00 175.26 177.09 3iw0 s ARG 409 N 1.91 3.88 0.03 1.61 0.52 -1.26 -0.09 118.95 125.54 3iw0 s ARG 409 Ca 0.09 0.91 -0.22 0.00 -0.52 0.00 0.00 55.73 55.99 3iw0 s ARG 409 Cb -0.17 -2.13 -0.06 0.00 0.52 0.00 0.00 34.95 33.12 3iw0 s ARG 409 CO 0.11 -0.33 0.65 -1.17 0.02 0.00 0.00 175.30 174.59 3iw0 s LEU 410 N -4.30 4.45 -0.83 2.53 2.96 0.36 -4.67 118.68 119.18 3iw0 s LEU 410 Ca 0.58 1.29 -0.26 0.00 -0.22 0.00 0.00 54.13 55.52 3iw0 s LEU 410 Cb -0.10 -3.03 0.04 0.00 0.50 0.00 0.00 46.19 43.59 3iw0 s LEU 410 CO 0.36 0.10 1.33 -0.60 -1.32 0.00 0.00 176.35 176.22 3iw0 s ARG 411 N -0.31 3.32 -0.08 1.98 3.52 -1.26 -3.76 118.95 122.36 3iw0 s ARG 411 Ca 0.33 -0.54 -0.14 0.00 -0.13 0.00 0.00 55.73 55.25 3iw0 s ARG 411 Cb -0.19 -4.57 0.03 0.00 -1.56 0.00 0.00 34.95 28.66 3iw0 s ARG 411 CO 0.20 -2.16 0.35 0.45 -0.81 0.00 0.00 175.30 173.32 3iw0 s SER 412 N 4.14 -0.30 0.00 -2.12 0.15 -1.26 -2.20 113.70 112.12 3iw0 s SER 412 Ca 0.38 0.42 0.26 0.00 0.70 0.00 0.00 55.95 57.72 3iw0 s SER 412 Cb -0.05 0.53 0.95 0.00 -1.71 0.00 0.00 66.02 65.73 3iw0 s SER 412 CO 0.07 -0.29 1.68 0.61 1.20 0.00 0.00 173.24 176.50 3iw0 n GLY 413 N 2.06 0.12 0.00 9.45 0.00 -1.26 -4.45 105.19 111.11 3iw0 n GLY 413 Ca -0.17 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3iw0 n GLY 413 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3iw0 n TRP 414 N 0.25 0.00 -3.66 1.61 4.27 -1.26 -4.60 117.44 114.05 3iw0 n TRP 414 Ca 0.18 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.43 3iw0 n TRP 414 Cb 0.36 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.23 3iw0 n TRP 414 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3iw0 s LEU 415 N -0.59 4.25 -0.85 5.67 2.96 -1.26 -0.33 118.68 128.52 3iw0 s LEU 415 Ca 0.00 0.39 -0.16 0.00 -0.22 0.00 0.00 54.13 54.14 3iw0 s LEU 415 Cb 0.00 -2.22 0.19 0.00 0.50 0.00 0.00 46.19 44.66 3iw0 s LEU 415 CO 0.00 0.18 0.89 0.21 -1.32 0.00 0.00 176.35 176.31 3iw0 s ASN 416 N 0.20 6.70 0.07 3.68 2.47 0.41 -4.58 114.94 123.88 3iw0 s ASN 416 Ca 0.13 -2.43 0.07 0.00 0.42 0.00 0.00 52.86 51.05 3iw0 s ASN 416 Cb -0.12 -2.28 -0.04 0.00 -1.45 0.00 0.00 41.25 37.37 3iw0 s ASN 416 CO 0.02 -0.76 -0.14 -0.83 -3.72 0.00 0.00 177.10 171.66 3iw0 s GLY 417 N 2.72 1.68 -0.24 1.21 0.00 -1.26 -4.71 107.32 106.72 3iw0 s GLY 417 Ca 0.23 -1.22 -0.02 0.00 0.00 0.00 0.00 44.72 43.70 3iw0 s GLY 417 CO -0.09 -1.15 -0.05 -0.42 0.00 0.00 0.00 173.10 171.39 3iw0 s ILE 418 N -1.06 3.03 0.01 0.90 -1.09 -1.26 -0.48 121.20 121.24 3iw0 s ILE 418 Ca 0.17 -0.89 -0.21 0.00 -2.23 0.00 0.00 60.65 57.50 3iw0 s ILE 418 Cb -0.11 -2.50 -0.20 0.00 -1.58 0.00 0.00 42.46 38.07 3iw0 s ILE 418 CO 0.09 0.25 1.17 0.11 -1.23 0.00 0.00 174.94 175.32 3iw0 h LYS 419 N 8.05 0.37 -3.19 2.79 1.57 -0.77 -3.47 116.57 121.91 3iw0 h LYS 419 Ca -0.35 -0.32 -0.10 0.00 -1.87 0.00 0.00 60.65 58.02 3iw0 h LYS 419 Cb 1.12 0.07 -0.18 0.00 0.08 0.00 0.00 32.23 33.32 3iw0 h LYS 419 CO 0.59 0.97 -0.24 -1.01 -0.57 0.00 0.00 179.45 179.18 3iw0 s HIS 420 N -3.54 -0.14 -0.30 -1.35 3.76 -1.21 -4.79 115.29 107.71 3iw0 s HIS 420 Ca -0.14 0.09 -0.01 0.00 -0.15 0.00 0.00 55.06 54.84 3iw0 s HIS 420 Cb 0.04 0.11 0.19 0.00 1.11 0.00 0.00 32.58 34.02 3iw0 s HIS 420 CO 0.79 -0.47 0.59 -0.46 -0.85 0.00 0.00 174.74 174.34 3iw0 s TRP 421 N -2.15 -1.57 -0.13 1.40 -0.00 -1.26 -0.64 118.94 114.59 3iw0 s TRP 421 Ca -0.08 1.70 -0.29 0.00 -0.00 0.00 0.00 56.10 57.43 3iw0 s TRP 421 Cb -0.02 0.55 -0.01 0.00 -0.00 0.00 0.00 33.47 33.99 3iw0 s TRP 421 CO -0.01 -0.87 1.02 -0.65 -0.00 0.00 0.00 176.95 176.45 3iw0 s GLN 422 N 2.85 4.39 0.04 5.86 -1.52 -1.26 -0.57 119.66 129.44 3iw0 s GLN 422 Ca 0.20 1.40 0.04 0.00 -1.95 0.00 0.00 55.36 55.05 3iw0 s GLN 422 Cb -0.15 -3.56 -0.02 0.00 -0.22 0.00 0.00 33.01 29.05 3iw0 s GLN 422 CO -0.21 -0.39 -0.12 0.08 -0.25 0.00 0.00 175.29 174.41 3iw0 s VAL 423 N 2.26 0.92 -0.32 1.09 1.01 -0.18 -0.25 120.40 124.94 3iw0 s VAL 423 Ca 0.48 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 3iw0 s VAL 423 Cb -0.18 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.32 3iw0 s VAL 423 CO 0.16 -0.12 0.16 -0.62 0.00 0.00 0.00 175.10 174.67 3iw0 s ASP 424 N -1.28 5.56 0.35 3.32 3.68 0.99 -1.72 116.67 127.56 3iw0 s ASP 424 Ca -0.02 -0.63 0.19 0.00 2.13 0.00 0.00 52.55 54.22 3iw0 s ASP 424 Cb -0.08 -2.00 0.43 0.00 -1.45 0.00 0.00 42.92 39.82 3iw0 s ASP 424 CO 0.01 -0.23 1.61 1.88 0.13 0.00 0.00 175.17 178.57 3iw0 h TYR 425 N 8.36 0.00 0.00 -5.34 0.05 -1.25 -0.41 116.97 118.38 3iw0 h TYR 425 Ca -0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.47 3iw0 h TYR 425 Cb 1.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.88 3iw0 h TYR 425 CO 0.63 0.38 0.00 0.25 -1.05 0.00 0.00 178.16 178.36