#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iq0 s LYS 3 N 0.00 1.90 -0.20 -1.46 2.20 -1.17 -4.58 119.74 116.44 3iq0 s LYS 3 Ca 0.00 -1.02 -0.12 0.00 -0.36 0.00 0.00 55.97 54.48 3iq0 s LYS 3 Cb 0.00 -1.97 -0.05 0.00 -1.51 0.00 0.00 37.83 34.30 3iq0 s LYS 3 CO 0.00 0.52 0.20 0.08 -0.36 0.00 0.00 175.35 175.79 3iq0 s VAL 4 N -0.71 5.36 0.11 4.02 1.01 -0.62 -1.87 120.40 127.70 3iq0 s VAL 4 Ca 0.11 0.32 0.08 0.00 0.00 0.00 0.00 61.98 62.49 3iq0 s VAL 4 Cb -0.10 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 3iq0 s VAL 4 CO 0.01 0.40 -0.20 -0.36 0.00 0.00 0.00 175.10 174.94 3iq0 s PHE 5 N 0.57 1.77 0.36 5.22 0.08 -0.17 -1.04 117.98 124.77 3iq0 s PHE 5 Ca 0.11 -0.43 0.06 0.00 0.12 0.00 0.00 56.93 56.79 3iq0 s PHE 5 Cb -0.12 -0.95 -0.03 0.00 -0.57 0.00 0.00 43.02 41.35 3iq0 s PHE 5 CO 0.01 0.22 0.22 -0.08 -0.10 0.00 0.00 175.22 175.49 3iq0 s THR 6 N -1.33 0.21 0.08 0.64 -1.32 -0.96 -0.69 115.64 112.28 3iq0 s THR 6 Ca 0.08 -2.00 -0.17 0.00 -1.21 0.00 0.00 61.69 58.38 3iq0 s THR 6 Cb -0.09 -2.43 0.04 0.00 -1.51 0.00 0.00 72.50 68.51 3iq0 s THR 6 CO 0.05 0.00 0.41 -0.51 -2.21 0.00 0.00 174.62 172.35 3iq0 s ILE 7 N -3.37 0.06 -4.51 5.08 2.07 -1.25 -1.74 121.20 117.54 3iq0 s ILE 7 Ca 0.34 -0.51 0.00 0.00 -1.41 0.00 0.00 60.65 59.07 3iq0 s ILE 7 Cb 0.02 -1.05 0.00 0.00 0.13 0.00 0.00 42.46 41.56 3iq0 s ILE 7 CO 0.22 -0.28 0.00 0.61 -1.91 0.00 0.00 174.94 173.58 3iq0 n GLY 8 N 0.17 0.94 3.76 1.50 0.00 -0.54 -4.78 105.19 106.23 3iq0 n GLY 8 Ca -0.17 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 3iq0 n GLY 8 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iq0 s GLU 9 N -1.80 4.64 -0.05 1.61 1.03 -1.26 -4.42 118.70 118.45 3iq0 s GLU 9 Ca 0.00 1.78 0.02 0.00 0.03 0.00 0.00 54.97 56.80 3iq0 s GLU 9 Cb 0.00 -3.20 0.01 0.00 -0.80 0.00 0.00 34.13 30.14 3iq0 s GLU 9 CO 0.00 0.20 -0.10 0.42 -1.33 0.00 0.00 175.26 174.45 3iq0 s ILE 10 N -1.02 0.93 0.35 1.83 1.01 -1.26 -4.31 121.20 118.73 3iq0 s ILE 10 Ca 0.45 -0.37 -0.08 0.00 0.00 0.00 0.00 60.65 60.65 3iq0 s ILE 10 Cb -0.31 -0.87 0.02 0.00 0.01 0.00 0.00 42.46 41.31 3iq0 s ILE 10 CO 0.40 0.31 0.58 -1.48 0.00 0.00 0.00 174.94 174.75 3iq0 s LEU 11 N 0.64 0.61 0.07 2.97 2.34 -0.51 -4.23 118.68 120.57 3iq0 s LEU 11 Ca -0.12 -1.31 0.07 0.00 0.06 0.00 0.00 54.13 52.82 3iq0 s LEU 11 Cb -0.14 1.96 -0.04 0.00 -0.56 0.00 0.00 46.19 47.41 3iq0 s LEU 11 CO 0.02 -1.41 -0.13 0.68 -1.06 0.00 0.00 176.35 174.45 3iq0 s VAL 12 N -2.91 3.14 -0.04 1.48 -7.23 -0.80 -0.32 120.40 113.72 3iq0 s VAL 12 Ca 0.25 -1.21 0.02 0.00 -1.81 0.00 0.00 61.98 59.23 3iq0 s VAL 12 Cb -0.02 -2.40 -0.03 0.00 0.56 0.00 0.00 36.38 34.49 3iq0 s VAL 12 CO 0.16 0.22 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.39 3iq0 s GLU 13 N -1.84 2.61 0.48 4.82 2.12 -0.03 -1.46 118.70 125.40 3iq0 s GLU 13 Ca 0.18 -0.65 0.03 0.00 0.36 0.00 0.00 54.97 54.89 3iq0 s GLU 13 Cb -0.11 -2.50 -0.03 0.00 0.26 0.00 0.00 34.13 31.75 3iq0 s GLU 13 CO 0.09 0.63 0.02 0.42 -0.54 0.00 0.00 175.26 175.89 3iq0 s ILE 14 N -0.85 1.48 0.07 -3.70 -1.09 -0.07 -1.08 121.20 115.95 3iq0 s ILE 14 Ca 0.14 -1.97 0.08 0.00 -2.23 0.00 0.00 60.65 56.66 3iq0 s ILE 14 Cb -0.11 -2.45 -0.03 0.00 -1.58 0.00 0.00 42.46 38.29 3iq0 s ILE 14 CO 0.03 0.00 -0.18 0.00 -1.23 0.00 0.00 174.94 173.56 3iq0 s ALA 16 N -2.81 2.61 -0.40 9.38 0.00 -0.55 -1.53 121.76 128.46 3iq0 s ALA 16 Ca 0.17 -1.26 0.24 0.00 0.00 0.00 0.00 51.96 51.11 3iq0 s ALA 16 Cb 0.04 -0.69 0.40 0.00 0.00 0.00 0.00 23.12 22.87 3iq0 s ALA 16 CO 0.09 0.58 1.63 0.77 0.00 0.00 0.00 175.76 178.83 3iq0 h SER 17 N 4.25 0.00 -4.50 0.00 0.02 -1.62 -3.45 113.55 108.24 3iq0 h SER 17 Ca -0.48 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.09 3iq0 h SER 17 Cb 1.16 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.49 3iq0 h SER 17 CO 0.47 0.01 -0.76 -0.54 -1.14 0.00 0.00 176.83 174.86 3iq0 s LYS 18 N -3.24 0.77 0.28 3.45 1.02 -1.26 -5.10 119.74 115.67 3iq0 s LYS 18 Ca 0.07 -0.96 -0.29 0.00 0.02 0.00 0.00 55.97 54.81 3iq0 s LYS 18 Cb 0.05 -0.68 -0.10 0.00 -0.52 0.00 0.00 37.83 36.58 3iq0 s LYS 18 CO 0.66 0.14 1.23 0.42 -0.92 0.00 0.00 175.35 176.88 3iq0 s ILE 19 N -1.49 3.14 0.00 2.17 -1.09 -1.26 -2.24 121.20 120.42 3iq0 s ILE 19 Ca -0.02 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.48 3iq0 s ILE 19 Cb -0.09 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 3iq0 s ILE 19 CO 0.02 0.23 0.00 0.61 -1.23 0.00 0.00 174.94 174.57 3iq0 n GLY 20 N 1.36 2.65 3.68 6.18 0.00 0.01 -4.97 105.19 114.10 3iq0 n GLY 20 Ca 0.01 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.54 3iq0 n GLY 20 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3iq0 n GLN 21 N -2.00 2.01 -1.89 1.61 7.27 -0.95 -4.95 117.38 118.48 3iq0 n GLN 21 Ca 0.00 0.74 -0.29 0.00 0.07 0.00 0.00 57.00 57.52 3iq0 n GLN 21 Cb 0.00 -2.54 0.09 0.00 2.41 0.00 0.00 30.24 30.19 3iq0 n GLN 21 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3iq0 s PRO 22 N 3.49 1.99 0.05 3.69 0.04 -1.26 -4.68 135.00 138.32 3iq0 s PRO 22 Ca 0.91 0.14 0.15 0.00 0.04 0.00 0.00 61.00 62.24 3iq0 s PRO 22 Cb -0.75 -1.95 -0.15 0.00 0.04 0.00 0.00 34.50 31.69 3iq0 s PRO 22 CO 0.52 -1.58 0.84 0.74 0.04 0.00 0.00 177.00 177.55 3iq0 h PHE 23 N -1.05 0.00 -0.76 0.56 0.04 -2.01 -3.38 116.94 110.34 3iq0 h PHE 23 Ca -0.46 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 59.85 3iq0 h PHE 23 Cb 1.33 0.00 -0.23 0.00 2.20 0.00 0.00 35.95 39.25 3iq0 h PHE 23 CO 0.32 0.70 0.59 -0.40 -0.60 0.00 0.00 178.31 178.93 3iq0 n ASP 24 N -2.97 5.49 -3.75 2.17 5.75 -1.26 -4.88 116.55 117.10 3iq0 n ASP 24 Ca -0.10 -3.35 -0.13 0.00 -0.01 0.00 0.00 54.79 51.20 3iq0 n ASP 24 Cb 0.89 -0.90 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 3iq0 n ASP 24 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3iq0 s GLN 25 N -2.71 0.46 0.50 0.11 -1.52 -1.26 -5.14 119.66 110.10 3iq0 s GLN 25 Ca 0.46 0.39 -0.23 0.00 -1.95 0.00 0.00 55.36 54.03 3iq0 s GLN 25 Cb 0.38 0.22 -0.06 0.00 -0.22 0.00 0.00 33.01 33.32 3iq0 s GLN 25 CO 0.03 -0.07 1.37 -2.14 -0.25 0.00 0.00 175.29 174.24 3iq0 s PRO 26 N -0.05 3.43 0.00 2.91 0.02 -1.26 -4.90 135.00 135.15 3iq0 s PRO 26 Ca -0.02 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.28 3iq0 s PRO 26 Cb -0.03 -2.45 0.00 0.00 0.02 0.00 0.00 34.50 32.04 3iq0 s PRO 26 CO 0.01 -0.98 0.00 0.41 -0.33 0.00 0.00 177.00 176.11 3iq0 n GLY 27 N 0.65 2.06 3.45 0.52 0.00 -1.26 -5.07 105.19 105.54 3iq0 n GLY 27 Ca 0.08 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 3iq0 n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iq0 s ILE 28 N -2.71 3.29 0.14 -0.61 1.01 -1.26 -5.09 121.20 115.96 3iq0 s ILE 28 Ca 0.00 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.12 3iq0 s ILE 28 Cb 0.00 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 3iq0 s ILE 28 CO 0.00 0.55 -0.16 0.26 0.00 0.00 0.00 174.94 175.59 3iq0 s TRP 29 N -0.12 1.57 -0.04 3.97 0.52 -1.26 -1.53 118.94 122.05 3iq0 s TRP 29 Ca -0.00 -0.52 0.06 0.00 0.02 0.00 0.00 56.10 55.65 3iq0 s TRP 29 Cb -0.13 -0.81 -0.02 0.00 -1.15 0.00 0.00 33.47 31.36 3iq0 s TRP 29 CO 0.03 0.22 -0.20 -0.80 0.02 0.00 0.00 176.95 176.22 3iq0 s ASN 30 N -2.53 3.52 0.00 2.95 0.02 -1.26 -4.90 114.94 112.73 3iq0 s ASN 30 Ca 0.12 -0.35 0.00 0.00 -1.02 0.00 0.00 52.86 51.61 3iq0 s ASN 30 Cb -0.05 -0.65 0.00 0.00 0.02 0.00 0.00 41.25 40.56 3iq0 s ASN 30 CO 0.04 0.32 0.00 0.61 0.02 0.00 0.00 177.10 178.09 3iq0 n GLY 31 N 2.47 0.43 3.83 0.66 0.00 -1.26 -4.40 105.19 106.91 3iq0 n GLY 31 Ca -0.17 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 3iq0 n GLY 31 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iq0 s PRO 32 N -1.99 3.34 -0.02 1.61 0.04 -1.26 -5.07 135.00 131.65 3iq0 s PRO 32 Ca 0.00 0.98 0.07 0.00 0.04 0.00 0.00 61.00 62.08 3iq0 s PRO 32 Cb 0.00 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 3iq0 s PRO 32 CO 0.00 -0.77 -0.21 0.71 0.04 0.00 0.00 177.00 176.76 3iq0 s TYR 33 N -2.85 1.94 0.41 0.56 2.02 -0.24 -4.90 117.35 114.30 3iq0 s TYR 33 Ca 0.59 -0.38 -0.26 0.00 -0.37 0.00 0.00 57.07 56.64 3iq0 s TYR 33 Cb -0.13 -1.25 -0.10 0.00 -0.40 0.00 0.00 41.96 40.08 3iq0 s TYR 33 CO 0.46 -0.05 1.41 -2.30 -1.57 0.00 0.00 175.55 173.51 3iq0 n PRO 34 N 2.59 2.33 -3.56 -1.71 -0.02 -1.26 -0.85 135.00 132.51 3iq0 n PRO 34 Ca -0.16 0.82 -0.07 0.00 -2.02 0.00 0.00 63.50 62.08 3iq0 n PRO 34 Cb 0.53 -2.58 0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3iq0 n PRO 34 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3iq0 n SER 35 N 0.17 -2.03 0.00 2.55 2.88 0.57 -4.63 113.62 113.13 3iq0 n SER 35 Ca 0.04 -2.36 0.00 0.00 -1.33 0.00 0.00 58.87 55.23 3iq0 n SER 35 Cb 0.40 3.36 0.00 0.00 -0.75 0.00 0.00 64.21 67.22 3iq0 n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3iq0 n GLY 36 N -0.52 2.83 0.26 0.46 0.00 -1.26 -1.43 105.19 105.54 3iq0 n GLY 36 Ca -0.07 -1.24 0.03 0.00 0.00 0.00 0.00 46.02 44.75 3iq0 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iq0 h ALA 37 N 0.00 0.70 -0.96 4.61 0.00 -1.98 -0.89 119.26 120.74 3iq0 h ALA 37 Ca 0.00 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3iq0 h ALA 37 Cb 0.00 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3iq0 h ALA 37 CO 0.00 -0.41 0.59 -1.35 0.00 0.00 0.00 179.25 178.08 3iq0 h PRO 38 N 0.10 1.28 -0.51 0.00 0.11 -1.87 -1.10 132.00 130.01 3iq0 h PRO 38 Ca 0.38 -0.10 -0.11 0.00 0.11 0.00 0.00 66.00 66.27 3iq0 h PRO 38 Cb 0.64 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 3iq0 h PRO 38 CO -0.63 0.88 -0.12 0.00 -0.21 0.00 0.00 178.00 177.93 3iq0 h ALA 39 N 1.34 0.84 -0.24 -0.75 0.00 -1.40 -0.22 119.26 118.83 3iq0 h ALA 39 Ca 0.35 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3iq0 h ALA 39 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3iq0 h ALA 39 CO -0.07 0.65 -0.00 0.82 0.00 0.00 0.00 179.25 180.65 3iq0 h ILE 40 N 0.85 1.26 0.16 0.00 2.04 -0.96 -0.19 117.51 120.65 3iq0 h ILE 40 Ca 0.13 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.10 3iq0 h ILE 40 Cb 0.66 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3iq0 h ILE 40 CO 0.05 0.28 -0.23 0.15 0.00 0.00 0.00 178.15 178.40 3iq0 h PHE 41 N 0.19 -0.61 0.00 1.37 3.57 -1.05 -1.33 116.94 119.08 3iq0 h PHE 41 Ca 0.07 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3iq0 h PHE 41 Cb 0.42 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 3iq0 h PHE 41 CO 0.04 -0.33 -0.15 0.97 -2.23 0.00 0.00 178.31 176.60 3iq0 h ILE 42 N -0.45 0.60 -0.28 1.41 6.09 -0.97 -1.75 117.51 122.15 3iq0 h ILE 42 Ca 0.02 -0.69 -0.18 0.00 -1.37 0.00 0.00 64.86 62.64 3iq0 h ILE 42 Cb 0.45 1.44 -0.00 0.00 0.47 0.00 0.00 36.82 39.19 3iq0 h ILE 42 CO -0.10 0.15 -0.54 -0.78 -3.07 0.00 0.00 178.15 173.80 3iq0 h ASP 43 N 0.00 0.95 -0.23 2.19 3.58 -0.36 -2.55 116.42 119.99 3iq0 h ASP 43 Ca -0.00 -0.51 -0.09 0.00 0.42 0.00 0.00 57.03 56.85 3iq0 h ASP 43 Cb 0.43 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3iq0 h ASP 43 CO 0.02 1.30 -0.14 -0.61 -2.88 0.00 0.00 179.24 176.93 3iq0 h GLN 44 N 0.66 0.65 -0.29 0.28 5.75 -0.51 -1.99 115.11 119.65 3iq0 h GLN 44 Ca 0.02 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.29 3iq0 h GLN 44 Cb 1.15 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.63 3iq0 h GLN 44 CO 0.12 0.76 0.13 0.28 -2.65 0.00 0.00 178.83 177.47 3iq0 h VAL 45 N 0.59 1.17 -0.24 2.39 2.07 -1.22 -2.98 116.25 118.03 3iq0 h VAL 45 Ca 0.10 -0.49 -0.13 0.00 0.82 0.00 0.00 66.70 67.00 3iq0 h VAL 45 Cb 0.58 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3iq0 h VAL 45 CO 0.04 0.17 -0.40 0.00 0.02 0.00 0.00 177.57 177.40 3iq0 h THR 46 N 0.33 1.30 0.00 2.57 1.03 -1.33 -2.52 112.91 114.29 3iq0 h THR 46 Ca 0.10 -1.57 0.00 0.00 -0.01 0.00 0.00 66.41 64.93 3iq0 h THR 46 Cb 0.15 1.55 0.00 0.00 -1.07 0.00 0.00 68.15 68.79 3iq0 h THR 46 CO -0.01 0.49 0.00 0.54 -0.01 0.00 0.00 175.52 176.53 3iq0 n ARG 47 N -4.03 0.19 -0.27 0.00 1.74 -0.76 -0.94 116.66 112.59 3iq0 n ARG 47 Ca -0.02 0.49 0.10 0.00 -0.77 0.00 0.00 57.85 57.65 3iq0 n ARG 47 Cb 0.51 -1.91 0.27 0.00 -1.02 0.00 0.00 32.46 30.31 3iq0 n ARG 47 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3iq0 n LEU 48 N -2.27 3.15 -0.00 0.55 4.77 -0.96 -4.22 117.00 118.02 3iq0 n LEU 48 Ca 0.01 -1.52 -0.00 0.00 -0.03 0.00 0.00 56.01 54.47 3iq0 n LEU 48 Cb 0.18 -0.36 -0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3iq0 n LEU 48 CO 0.17 0.76 -0.00 0.61 -1.33 0.00 0.00 177.39 177.60 3iq0 n GLY 49 N 1.44 0.38 3.48 -0.72 0.00 -0.11 -4.89 105.19 104.77 3iq0 n GLY 49 Ca 0.20 -1.02 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 3iq0 n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iq0 s VAL 50 N -2.00 3.84 0.36 1.61 1.01 -1.15 -5.05 120.40 119.03 3iq0 s VAL 50 Ca 0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 61.98 61.32 3iq0 s VAL 50 Cb 0.00 -2.69 -0.11 0.00 0.00 0.00 0.00 36.38 33.58 3iq0 s VAL 50 CO 0.00 0.48 1.51 -0.81 0.00 0.00 0.00 175.10 176.29 3iq0 n PRO 51 N 3.68 2.70 -3.77 2.72 -0.04 -1.26 -4.13 135.00 134.89 3iq0 n PRO 51 Ca -0.17 0.95 -0.07 0.00 -0.04 0.00 0.00 63.50 64.16 3iq0 n PRO 51 Cb 0.52 -2.70 -0.02 0.00 -0.04 0.00 0.00 33.50 31.27 3iq0 n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iq0 s GLY 53 N -2.89 0.82 -0.02 0.00 0.00 -0.20 -0.93 107.32 104.10 3iq0 s GLY 53 Ca 0.09 -1.09 -0.07 0.00 0.00 0.00 0.00 44.72 43.66 3iq0 s GLY 53 CO 0.03 -0.77 0.15 -1.50 0.00 0.00 0.00 173.10 171.01 3iq0 s ILE 54 N -3.76 0.05 -0.24 0.90 2.07 -1.17 -2.25 121.20 116.80 3iq0 s ILE 54 Ca 0.25 -0.41 -0.02 0.00 -1.41 0.00 0.00 60.65 59.07 3iq0 s ILE 54 Cb -0.00 -0.35 0.02 0.00 0.13 0.00 0.00 42.46 42.26 3iq0 s ILE 54 CO 0.12 -0.23 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.22 3iq0 s ILE 55 N -0.79 2.85 0.38 2.00 1.01 -0.71 -3.67 121.20 122.27 3iq0 s ILE 55 Ca -0.09 -0.98 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 3iq0 s ILE 55 Cb -0.05 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 40.04 3iq0 s ILE 55 CO 0.01 0.24 0.69 -0.44 0.00 0.00 0.00 174.94 175.44 3iq0 s SER 56 N 1.33 0.36 -0.06 3.58 0.01 -0.81 -1.47 113.70 116.65 3iq0 s SER 56 Ca 0.01 -1.30 0.02 0.00 1.31 0.00 0.00 55.95 55.98 3iq0 s SER 56 Cb -0.16 0.80 0.02 0.00 0.21 0.00 0.00 66.02 66.89 3iq0 s SER 56 CO -0.05 -1.59 -0.10 0.00 0.41 0.00 0.00 173.24 171.91 3iq0 s VAL 58 N 0.74 1.28 0.69 0.00 -7.23 -0.34 -2.90 120.40 112.63 3iq0 s VAL 58 Ca -0.14 -2.05 -0.05 0.00 -1.81 0.00 0.00 61.98 57.93 3iq0 s VAL 58 Cb -0.15 -2.55 0.07 0.00 0.56 0.00 0.00 36.38 34.30 3iq0 s VAL 58 CO 0.03 -0.19 0.99 -0.83 -0.31 0.00 0.00 175.10 174.78 3iq0 s GLY 59 N -3.42 1.72 -1.27 2.32 0.00 -1.26 -0.30 107.32 105.12 3iq0 s GLY 59 Ca 0.32 -1.07 -0.10 0.00 0.00 0.00 0.00 44.72 43.87 3iq0 s GLY 59 CO 0.12 -0.65 1.80 -2.01 0.00 0.00 0.00 173.10 172.36 3iq0 n ASN 60 N -2.86 5.13 -3.64 1.64 5.15 -1.11 -4.38 115.26 115.19 3iq0 n ASN 60 Ca 0.09 -3.10 -0.11 0.00 -0.60 0.00 0.00 54.58 50.86 3iq0 n ASN 60 Cb 0.60 -1.49 -0.04 0.00 -0.53 0.00 0.00 39.78 38.32 3iq0 n ASN 60 CO 0.00 0.00 0.00 1.51 1.40 0.00 0.00 177.26 180.17 3iq0 s ASP 61 N 1.10 0.27 0.53 1.20 1.47 -1.26 -4.98 116.67 115.00 3iq0 s ASP 61 Ca 0.40 -1.16 0.20 0.00 1.18 0.00 0.00 52.55 53.17 3iq0 s ASP 61 Cb 0.08 0.63 1.35 0.00 -0.34 0.00 0.00 42.92 44.64 3iq0 s ASP 61 CO 0.01 -1.24 2.11 1.23 0.68 0.00 0.00 175.17 177.95 3iq0 h GLY 62 N 2.19 0.00 1.70 2.12 0.00 -1.99 -1.33 103.07 105.76 3iq0 h GLY 62 Ca -0.28 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 3iq0 h GLY 62 CO 0.38 0.00 -0.48 0.74 0.00 0.00 0.00 176.54 177.18 3iq0 h PHE 63 N 0.00 0.39 -0.17 5.60 0.04 -1.96 -1.34 116.94 119.50 3iq0 h PHE 63 Ca 0.08 -0.12 -0.20 0.00 2.80 0.00 0.00 57.97 60.53 3iq0 h PHE 63 Cb 0.32 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3iq0 h PHE 63 CO 0.00 0.74 -0.70 0.78 -0.60 0.00 0.00 178.31 178.53 3iq0 h GLY 64 N 1.25 0.78 0.95 -1.45 0.00 -1.49 -3.28 103.07 99.83 3iq0 h GLY 64 Ca 0.01 -1.03 -0.02 0.00 0.00 0.00 0.00 47.33 46.30 3iq0 h GLY 64 CO 0.08 0.92 0.18 -0.55 0.00 0.00 0.00 176.54 177.17 3iq0 h ASP 65 N 0.50 0.52 -0.63 0.19 3.32 -0.95 -1.83 116.42 117.55 3iq0 h ASP 65 Ca -0.03 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 56.95 3iq0 h ASP 65 Cb 1.30 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 3iq0 h ASP 65 CO 0.14 0.51 0.41 -0.29 -1.72 0.00 0.00 179.24 178.29 3iq0 h ILE 66 N 0.49 1.01 -0.01 0.35 2.10 -1.33 0.24 117.51 120.37 3iq0 h ILE 66 Ca 0.13 -0.22 -0.01 0.00 1.08 0.00 0.00 64.86 65.85 3iq0 h ILE 66 Cb 0.13 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 36.19 3iq0 h ILE 66 CO -0.02 0.12 -0.02 0.78 -1.08 0.00 0.00 178.15 177.93 3iq0 h ASN 67 N 0.63 0.04 -0.33 2.19 2.35 -1.56 -1.69 115.58 117.22 3iq0 h ASN 67 Ca 0.27 -0.59 0.01 0.00 -0.55 0.00 0.00 56.30 55.44 3iq0 h ASN 67 Cb 0.25 -0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 3iq0 h ASN 67 CO -0.08 0.62 0.21 0.40 -1.65 0.00 0.00 177.43 176.93 3iq0 h ILE 68 N -0.54 1.07 -0.33 2.81 2.04 -0.88 -1.72 117.51 119.95 3iq0 h ILE 68 Ca -0.00 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.73 3iq0 h ILE 68 Cb 0.61 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 3iq0 h ILE 68 CO 0.01 0.08 0.17 0.45 0.00 0.00 0.00 178.15 178.86 3iq0 h HIS 69 N 0.43 0.32 0.45 1.37 3.86 -0.58 0.69 115.15 121.69 3iq0 h HIS 69 Ca 0.12 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.33 3iq0 h HIS 69 Cb -0.03 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.35 3iq0 h HIS 69 CO -0.06 0.18 -0.21 -0.09 0.86 0.00 0.00 177.93 178.60 3iq0 h ARG 70 N 0.36 -0.58 -0.35 2.45 9.65 -1.09 -0.16 114.38 124.66 3iq0 h ARG 70 Ca 0.13 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 3iq0 h ARG 70 Cb 0.04 0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.73 3iq0 h ARG 70 CO -0.08 -0.38 0.22 -0.07 2.80 0.00 0.00 179.97 182.45 3iq0 h LEU 71 N -0.61 0.41 -0.04 3.80 3.38 -1.23 -1.93 115.31 119.09 3iq0 h LEU 71 Ca -0.06 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.88 3iq0 h LEU 71 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3iq0 h LEU 71 CO 0.10 0.32 -0.04 0.00 0.09 0.00 0.00 178.44 178.92 3iq0 h ALA 72 N 1.10 -0.01 -0.05 1.53 0.00 -0.79 -0.88 119.26 120.16 3iq0 h ALA 72 Ca 0.13 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3iq0 h ALA 72 Cb -0.02 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3iq0 h ALA 72 CO -0.03 -0.52 0.04 0.00 0.00 0.00 0.00 179.25 178.74 3iq0 h ALA 73 N 0.98 1.89 -0.01 0.00 0.00 -0.86 -1.16 119.26 120.10 3iq0 h ALA 73 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3iq0 h ALA 73 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3iq0 h ALA 73 CO -0.07 -0.06 -0.04 -0.25 0.00 0.00 0.00 179.25 178.83 3iq0 n ASP 74 N -4.29 0.70 0.00 0.00 8.00 -0.74 -4.91 116.55 115.30 3iq0 n ASP 74 Ca -0.02 -1.03 0.00 0.00 0.71 0.00 0.00 54.79 54.45 3iq0 n ASP 74 Cb 0.14 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 3iq0 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iq0 n GLY 75 N 1.16 0.54 3.76 0.44 0.00 -0.44 -4.52 105.19 106.14 3iq0 n GLY 75 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3iq0 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iq0 s VAL 76 N -2.00 3.23 -0.39 1.61 1.01 -0.39 -4.71 120.40 118.77 3iq0 s VAL 76 Ca 0.00 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.90 3iq0 s VAL 76 Cb 0.00 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.64 3iq0 s VAL 76 CO 0.00 0.26 1.25 -0.62 0.00 0.00 0.00 175.10 176.00 3iq0 s ASP 77 N -0.82 6.60 -0.14 3.32 2.15 -0.10 -4.29 116.67 123.39 3iq0 s ASP 77 Ca 0.48 0.86 0.16 0.00 0.43 0.00 0.00 52.55 54.47 3iq0 s ASP 77 Cb -0.34 -2.54 0.66 0.00 -0.30 0.00 0.00 42.92 40.40 3iq0 s ASP 77 CO 0.44 -1.21 1.58 2.30 -0.17 0.00 0.00 175.17 178.11 3iq0 n ILE 78 N 6.60 2.05 0.27 4.11 -6.64 -1.26 -3.03 119.36 121.45 3iq0 n ILE 78 Ca 0.14 -1.37 0.11 0.00 -1.77 0.00 0.00 62.75 59.86 3iq0 n ILE 78 Cb 0.48 -0.00 0.73 0.00 -1.44 0.00 0.00 39.64 39.41 3iq0 n ILE 78 CO 0.00 0.00 0.00 0.03 -1.77 0.00 0.00 176.55 174.81 3iq0 h ARG 79 N 3.38 0.00 0.00 6.28 3.08 -1.91 -2.07 114.38 123.14 3iq0 h ARG 79 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iq0 h ARG 79 Cb 1.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.55 3iq0 h ARG 79 CO 0.26 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.62 3iq0 n GLY 80 N -1.26 -1.10 3.48 0.04 0.00 -1.25 -4.64 105.19 100.47 3iq0 n GLY 80 Ca -0.03 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 3iq0 n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iq0 s ILE 81 N -2.44 4.86 0.34 -0.61 1.01 -0.78 -1.92 121.20 121.66 3iq0 s ILE 81 Ca 0.29 -0.19 -0.18 0.00 0.00 0.00 0.00 60.65 60.58 3iq0 s ILE 81 Cb 0.18 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 3iq0 s ILE 81 CO 0.39 -0.68 0.80 -0.44 0.00 0.00 0.00 174.94 175.01 3iq0 s SER 82 N 2.27 6.88 -0.19 3.58 0.01 0.70 -4.93 113.70 122.03 3iq0 s SER 82 Ca 0.18 1.43 -0.04 0.00 1.31 0.00 0.00 55.95 58.83 3iq0 s SER 82 Cb -0.16 -2.43 -0.02 0.00 0.21 0.00 0.00 66.02 63.62 3iq0 s SER 82 CO 0.15 -0.20 -0.03 -0.69 0.41 0.00 0.00 173.24 172.88 3iq0 s VAL 83 N -1.95 3.72 -0.37 3.43 1.01 -1.26 -1.20 120.40 123.77 3iq0 s VAL 83 Ca 0.54 -0.40 -0.08 0.00 0.00 0.00 0.00 61.98 62.04 3iq0 s VAL 83 Cb -0.11 -2.66 0.05 0.00 0.00 0.00 0.00 36.38 33.66 3iq0 s VAL 83 CO 0.17 0.45 0.18 -0.76 0.00 0.00 0.00 175.10 175.14 3iq0 s LEU 84 N 0.92 4.70 0.36 3.92 1.02 0.59 -4.88 118.68 125.30 3iq0 s LEU 84 Ca 0.00 -1.25 0.10 0.00 0.02 0.00 0.00 54.13 52.99 3iq0 s LEU 84 Cb -0.14 -1.94 0.84 0.00 0.02 0.00 0.00 46.19 44.97 3iq0 s LEU 84 CO 0.01 -0.41 1.86 -0.65 0.02 0.00 0.00 176.35 177.18 3iq0 h PRO 85 N 8.32 0.64 -0.25 1.29 0.11 -1.92 -2.52 132.00 137.67 3iq0 h PRO 85 Ca -0.23 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3iq0 h PRO 85 Cb 1.09 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3iq0 h PRO 85 CO 0.67 0.43 0.00 1.28 -0.21 0.00 0.00 178.00 180.16 3iq0 n LEU 86 N -4.57 2.72 -4.34 2.35 4.77 -1.26 -4.69 117.00 111.97 3iq0 n LEU 86 Ca 0.18 -1.11 -0.30 0.00 -0.03 0.00 0.00 56.01 54.75 3iq0 n LEU 86 Cb 0.50 -0.16 -0.15 0.00 -2.33 0.00 0.00 43.42 41.29 3iq0 n LEU 86 CO 0.29 0.56 -0.57 -1.61 -1.33 0.00 0.00 177.39 174.73 3iq0 s GLU 87 N -1.69 1.75 0.08 3.23 0.41 -0.97 -5.07 118.70 116.45 3iq0 s GLU 87 Ca 0.35 -1.13 -0.20 0.00 -0.41 0.00 0.00 54.97 53.58 3iq0 s GLU 87 Cb 0.21 -1.95 -0.07 0.00 -1.78 0.00 0.00 34.13 30.54 3iq0 s GLU 87 CO 0.30 0.50 0.60 0.00 -0.49 0.00 0.00 175.26 176.16 3iq0 s ALA 88 N -0.83 3.57 0.38 5.21 0.00 -1.26 -3.90 121.76 124.93 3iq0 s ALA 88 Ca 0.12 0.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.88 3iq0 s ALA 88 Cb -0.10 -2.68 -0.10 0.00 0.00 0.00 0.00 23.12 20.24 3iq0 s ALA 88 CO 0.02 0.39 1.45 0.99 0.00 0.00 0.00 175.76 178.61 3iq0 s THR 89 N -1.11 2.15 0.75 0.00 2.01 -1.26 -0.53 115.64 117.64 3iq0 s THR 89 Ca 0.30 0.15 -0.15 0.00 0.31 0.00 0.00 61.69 62.30 3iq0 s THR 89 Cb -0.20 -3.09 0.05 0.00 0.01 0.00 0.00 72.50 69.27 3iq0 s THR 89 CO 0.20 0.03 1.23 -0.83 -0.69 0.00 0.00 174.62 174.57 3iq0 s GLY 90 N -0.27 2.41 0.13 4.40 0.00 -1.26 -4.79 107.32 107.95 3iq0 s GLY 90 Ca 0.54 0.97 -0.07 0.00 0.00 0.00 0.00 44.72 46.15 3iq0 s GLY 90 CO 0.60 1.39 0.21 -1.35 0.00 0.00 0.00 173.10 173.96 3iq0 s SER 91 N -1.90 0.12 -0.17 1.64 1.04 -0.72 -1.90 113.70 111.81 3iq0 s SER 91 Ca 0.76 -0.86 -0.07 0.00 0.48 0.00 0.00 55.95 56.26 3iq0 s SER 91 Cb -0.32 0.38 0.08 0.00 0.10 0.00 0.00 66.02 66.26 3iq0 s SER 91 CO 0.46 -0.81 0.37 0.00 0.98 0.00 0.00 173.24 174.25 3iq0 s ALA 92 N -3.95 -0.97 -0.15 5.32 0.00 -0.53 -1.22 121.76 120.27 3iq0 s ALA 92 Ca 0.14 1.36 -0.12 0.00 0.00 0.00 0.00 51.96 53.34 3iq0 s ALA 92 Cb 0.05 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 3iq0 s ALA 92 CO -0.03 -0.59 0.25 -0.06 0.00 0.00 0.00 175.76 175.33 3iq0 s PHE 93 N 2.22 3.49 -0.01 0.00 0.08 -0.66 -0.90 117.98 122.21 3iq0 s PHE 93 Ca -0.03 0.57 0.04 0.00 0.12 0.00 0.00 56.93 57.63 3iq0 s PHE 93 Cb -0.11 -2.25 -0.01 0.00 -0.57 0.00 0.00 43.02 40.08 3iq0 s PHE 93 CO -0.12 0.35 -0.12 0.54 -0.10 0.00 0.00 175.22 175.78 3iq0 s VAL 94 N 0.10 0.92 0.14 -0.44 0.11 -0.58 -1.33 120.40 119.31 3iq0 s VAL 94 Ca 0.15 -0.51 0.06 0.00 -2.93 0.00 0.00 61.98 58.75 3iq0 s VAL 94 Cb -0.13 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 3iq0 s VAL 94 CO 0.04 0.25 -0.14 0.28 -3.33 0.00 0.00 175.10 172.20 3iq0 s THR 95 N -0.29 1.38 0.41 5.04 -1.32 -0.61 -1.48 115.64 118.76 3iq0 s THR 95 Ca 0.04 -1.83 0.07 0.00 -1.21 0.00 0.00 61.69 58.77 3iq0 s THR 95 Cb -0.05 -1.64 -0.04 0.00 -1.51 0.00 0.00 72.50 69.26 3iq0 s THR 95 CO -0.00 -0.47 0.23 -0.31 -2.21 0.00 0.00 174.62 171.85 3iq0 s TYR 96 N -2.38 2.64 0.09 9.09 2.02 -1.26 -2.09 117.35 125.46 3iq0 s TYR 96 Ca 0.12 -0.55 -0.02 0.00 -0.37 0.00 0.00 57.07 56.25 3iq0 s TYR 96 Cb -0.04 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.54 3iq0 s TYR 96 CO 0.03 0.12 0.14 0.72 -1.57 0.00 0.00 175.55 175.00 3iq0 n HIS 97 N -1.31 -0.94 0.00 2.71 8.25 -1.26 -0.81 115.22 121.86 3iq0 n HIS 97 Ca -0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 3iq0 n HIS 97 Cb 0.64 0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.91 3iq0 n HIS 97 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3iq0 n ASN 98 N -1.65 0.00 0.00 0.41 4.13 -1.26 -4.90 115.26 111.99 3iq0 n ASN 98 Ca -0.01 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.25 3iq0 n ASN 98 Cb 0.14 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 3iq0 n ASN 98 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3iq0 n ARG 102 N 0.00 0.00 -4.74 3.52 1.74 -1.08 -5.13 116.66 110.97 3iq0 n ARG 102 Ca 0.00 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.83 3iq0 n ARG 102 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 3iq0 n ARG 102 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3iq0 s ASP 103 N -0.11 2.27 0.05 0.55 1.11 -0.89 -5.01 116.67 114.66 3iq0 s ASP 103 Ca 0.00 -0.43 -0.00 0.00 0.18 0.00 0.00 52.55 52.30 3iq0 s ASP 103 Cb 0.00 -0.22 -0.04 0.00 1.07 0.00 0.00 42.92 43.74 3iq0 s ASP 103 CO 0.00 0.18 -0.04 -0.36 1.18 0.00 0.00 175.17 176.13 3iq0 s PHE 104 N -0.63 0.55 -0.23 4.23 0.08 -1.26 -1.58 117.98 119.14 3iq0 s PHE 104 Ca 0.07 -0.94 -0.01 0.00 0.12 0.00 0.00 56.93 56.17 3iq0 s PHE 104 Cb -0.08 -0.38 0.07 0.00 -0.57 0.00 0.00 43.02 42.05 3iq0 s PHE 104 CO 0.01 -0.30 0.00 0.42 -0.10 0.00 0.00 175.22 175.25 3iq0 s ILE 105 N -3.41 1.07 -0.08 0.64 1.01 -0.44 -4.97 121.20 115.03 3iq0 s ILE 105 Ca 0.04 -1.02 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 3iq0 s ILE 105 Cb 0.04 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3iq0 s ILE 105 CO -0.07 -0.23 0.13 -0.36 0.00 0.00 0.00 174.94 174.40 3iq0 s PHE 106 N 1.59 3.50 -0.52 3.97 0.08 -1.26 -1.66 117.98 123.68 3iq0 s PHE 106 Ca -0.01 0.41 0.05 0.00 0.12 0.00 0.00 56.93 57.49 3iq0 s PHE 106 Cb -0.18 -1.87 0.17 0.00 -0.57 0.00 0.00 43.02 40.57 3iq0 s PHE 106 CO -0.09 0.67 0.41 -1.71 -0.10 0.00 0.00 175.22 174.39 3iq0 n ASN 107 N 1.66 0.85 0.03 1.36 5.15 -0.36 -4.91 115.26 119.05 3iq0 n ASN 107 Ca -0.17 -2.70 -0.01 0.00 -0.60 0.00 0.00 54.58 51.10 3iq0 n ASN 107 Cb 0.54 -0.63 -0.00 0.00 -0.53 0.00 0.00 39.78 39.16 3iq0 n ASN 107 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3iq0 n ILE 108 N 2.44 1.10 -0.15 -1.44 5.41 -1.26 -1.76 119.36 123.70 3iq0 n ILE 108 Ca 0.26 0.34 -0.05 0.00 1.00 0.00 0.00 62.75 64.30 3iq0 n ILE 108 Cb 0.43 -1.62 0.02 0.00 -0.71 0.00 0.00 39.64 37.76 3iq0 n ILE 108 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 3iq0 h LYS 109 N -0.06 -0.12 -0.86 0.38 1.57 -1.96 -1.99 116.57 113.52 3iq0 h LYS 109 Ca -0.01 0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 58.52 3iq0 h LYS 109 Cb 0.19 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 32.37 3iq0 h LYS 109 CO -0.00 -0.08 0.33 0.09 -0.57 0.00 0.00 179.45 179.21 3iq0 n ASN 110 N -5.41 4.16 -4.85 0.86 5.03 -1.26 -4.28 115.26 109.52 3iq0 n ASN 110 Ca 0.03 -3.11 -0.28 0.00 0.87 0.00 0.00 54.58 52.09 3iq0 n ASN 110 Cb 0.32 -0.73 -0.03 0.00 -1.02 0.00 0.00 39.78 38.31 3iq0 n ASN 110 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3iq0 s ALA 111 N -2.63 4.25 0.30 5.41 0.00 -0.75 -4.92 121.76 123.41 3iq0 s ALA 111 Ca 0.47 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 51.37 3iq0 s ALA 111 Cb 0.38 -0.48 0.71 0.00 0.00 0.00 0.00 23.12 23.72 3iq0 s ALA 111 CO 0.11 -0.29 1.77 0.00 0.00 0.00 0.00 175.76 177.34 3iq0 h ALA 112 N 1.00 1.59 0.00 0.00 0.00 -1.08 0.12 119.26 120.89 3iq0 h ALA 112 Ca -0.40 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3iq0 h ALA 112 Cb 1.30 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3iq0 h ALA 112 CO 0.63 -0.09 -0.03 0.00 0.00 0.00 0.00 179.25 179.77 3iq0 n GLY 114 N -0.63 -0.44 0.77 0.00 0.00 0.42 -3.40 105.19 101.91 3iq0 n GLY 114 Ca -0.02 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.81 3iq0 n GLY 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3iq0 n LYS 115 N -0.34 2.06 -1.76 1.61 4.76 -0.40 -4.94 118.16 119.15 3iq0 n LYS 115 Ca 0.20 -1.54 -0.41 0.00 -2.87 0.00 0.00 58.31 53.69 3iq0 n LYS 115 Cb 0.23 -1.47 -0.00 0.00 -1.84 0.00 0.00 35.03 31.95 3iq0 n LYS 115 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 3iq0 n LEU 116 N 0.87 4.48 0.00 -0.35 7.94 -1.22 -4.97 117.00 123.75 3iq0 n LEU 116 Ca 0.16 1.22 -0.09 0.00 -1.11 0.00 0.00 56.01 56.18 3iq0 n LEU 116 Cb 0.50 -1.59 0.02 0.00 0.53 0.00 0.00 43.42 42.88 3iq0 n LEU 116 CO 0.16 0.02 0.44 -1.54 -1.11 0.00 0.00 177.39 175.36 3iq0 n SER 117 N 0.67 -2.00 -0.20 1.96 3.41 -1.26 -4.70 113.62 111.50 3iq0 n SER 117 Ca 0.03 -2.55 0.06 0.00 -0.26 0.00 0.00 58.87 56.15 3iq0 n SER 117 Cb 0.38 3.38 0.33 0.00 -0.26 0.00 0.00 64.21 68.05 3iq0 n SER 117 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iq0 h ALA 118 N 2.00 1.67 0.00 7.33 0.00 -1.78 -0.90 119.26 127.58 3iq0 h ALA 118 Ca -0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3iq0 h ALA 118 Cb 1.15 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3iq0 h ALA 118 CO 0.39 0.21 -0.12 1.96 0.00 0.00 0.00 179.25 181.69 3iq0 h GLN 119 N 0.80 0.00 -0.44 0.00 4.20 -1.95 -1.85 115.11 115.87 3iq0 h GLN 119 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 3iq0 h GLN 119 Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 3iq0 h GLN 119 CO -0.11 0.12 0.00 0.72 -0.67 0.00 0.00 178.83 178.89 3iq0 n HIS 120 N -4.05 0.59 -3.67 2.96 8.25 -0.35 -4.71 115.22 114.25 3iq0 n HIS 120 Ca -0.02 -0.28 -0.39 0.00 -0.26 0.00 0.00 57.72 56.76 3iq0 n HIS 120 Cb 0.20 -0.02 -0.11 0.00 1.12 0.00 0.00 29.99 31.18 3iq0 n HIS 120 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3iq0 s VAL 121 N -1.48 4.05 -0.50 1.59 1.01 -0.70 -4.89 120.40 119.48 3iq0 s VAL 121 Ca 0.28 -1.30 -0.23 0.00 0.00 0.00 0.00 61.98 60.73 3iq0 s VAL 121 Cb 0.15 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 33.16 3iq0 s VAL 121 CO 0.18 -0.38 0.83 -0.62 0.00 0.00 0.00 175.10 175.11 3iq0 s ASP 122 N 1.80 6.36 0.35 3.32 -1.08 -1.26 -4.92 116.67 121.24 3iq0 s ASP 122 Ca 0.02 -0.29 0.12 0.00 -0.52 0.00 0.00 52.55 51.87 3iq0 s ASP 122 Cb -0.21 -2.40 0.91 0.00 -1.46 0.00 0.00 42.92 39.76 3iq0 s ASP 122 CO 0.02 -1.04 1.80 -0.08 0.52 0.00 0.00 175.17 176.39 3iq0 h GLU 123 N 9.11 0.58 0.00 4.34 4.81 -1.96 0.92 114.58 132.37 3iq0 h GLU 123 Ca -0.26 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 58.90 3iq0 h GLU 123 Cb 1.08 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 3iq0 h GLU 123 CO 1.01 0.38 -0.17 -0.91 -0.73 0.00 0.00 179.01 178.59 3iq0 h ASN 124 N 0.59 0.00 0.42 1.04 2.35 -2.01 -1.61 115.58 116.36 3iq0 h ASN 124 Ca 0.55 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.25 3iq0 h ASN 124 Cb 1.09 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 3iq0 h ASN 124 CO -0.31 0.17 -0.22 0.40 -1.65 0.00 0.00 177.43 175.82 3iq0 h ILE 125 N 0.00 0.86 -0.46 2.81 1.08 -1.22 -2.78 117.51 117.80 3iq0 h ILE 125 Ca -0.00 -0.87 0.00 0.00 -0.39 0.00 0.00 64.86 63.60 3iq0 h ILE 125 Cb 0.32 1.51 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 3iq0 h ILE 125 CO 0.02 0.22 0.00 0.18 -0.69 0.00 0.00 178.15 177.88 3iq0 n LEU 126 N -3.84 3.51 -0.29 1.44 4.77 -0.62 -4.60 117.00 117.37 3iq0 n LEU 126 Ca -0.02 -1.57 0.19 0.00 -0.03 0.00 0.00 56.01 54.58 3iq0 n LEU 126 Cb 0.32 -0.30 0.46 0.00 -2.33 0.00 0.00 43.42 41.57 3iq0 n LEU 126 CO 0.34 0.79 1.22 0.07 -1.33 0.00 0.00 177.39 178.47 3iq0 h LYS 127 N 4.36 0.48 -0.29 3.23 2.10 -1.32 -1.55 116.57 123.57 3iq0 h LYS 127 Ca 0.00 -0.03 -0.16 0.00 -2.00 0.00 0.00 60.65 58.46 3iq0 h LYS 127 Cb 0.97 -0.11 -0.10 0.00 -0.90 0.00 0.00 32.23 32.09 3iq0 h LYS 127 CO 0.00 0.32 -0.23 -0.25 -2.00 0.00 0.00 179.45 177.28 3iq0 n ASP 128 N -4.60 2.48 -4.66 7.07 8.00 -1.26 -5.00 116.55 118.58 3iq0 n ASP 128 Ca 0.22 -3.83 -0.41 0.00 0.71 0.00 0.00 54.79 51.48 3iq0 n ASP 128 Cb 0.72 -0.60 -0.05 0.00 -0.02 0.00 0.00 41.12 41.18 3iq0 n ASP 128 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3iq0 n THR 130 N 4.89 0.05 -3.74 0.00 -2.24 -0.78 -4.68 114.28 107.78 3iq0 n THR 130 Ca 0.03 -0.47 -0.16 0.00 -2.27 0.00 0.00 64.05 61.19 3iq0 n THR 130 Cb 0.49 0.02 -0.16 0.00 -2.10 0.00 0.00 70.33 68.58 3iq0 n THR 130 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3iq0 s HIS 131 N -3.37 -0.04 -0.10 4.78 3.76 -1.20 0.04 115.29 119.17 3iq0 s HIS 131 Ca -0.07 0.29 0.03 0.00 -0.15 0.00 0.00 55.06 55.15 3iq0 s HIS 131 Cb 0.13 -0.24 0.01 0.00 1.11 0.00 0.00 32.58 33.59 3iq0 s HIS 131 CO 0.84 -0.14 -0.19 0.12 -0.85 0.00 0.00 174.74 174.51 3iq0 s PHE 132 N 1.38 2.23 -0.10 1.40 5.36 0.03 -1.00 117.98 127.28 3iq0 s PHE 132 Ca -0.06 -0.96 0.00 0.00 -0.96 0.00 0.00 56.93 54.95 3iq0 s PHE 132 Cb -0.12 -1.53 -0.02 0.00 -0.34 0.00 0.00 43.02 41.00 3iq0 s PHE 132 CO -0.04 -0.43 -0.10 -1.58 -1.46 0.00 0.00 175.22 171.61 3iq0 s HIS 133 N 0.61 2.86 0.00 10.12 5.65 0.13 -1.20 115.29 133.46 3iq0 s HIS 133 Ca -0.14 -0.30 0.00 0.00 0.25 0.00 0.00 55.06 54.87 3iq0 s HIS 133 Cb -0.17 -1.78 0.00 0.00 -1.18 0.00 0.00 32.58 29.45 3iq0 s HIS 133 CO 0.04 0.05 0.00 -0.89 -0.65 0.00 0.00 174.74 173.29 3iq0 n ILE 134 N 2.92 0.00 -0.01 0.89 5.41 -0.04 -3.80 119.36 124.73 3iq0 n ILE 134 Ca -0.18 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.56 3iq0 n ILE 134 Cb 0.53 -0.14 -0.02 0.00 -0.71 0.00 0.00 39.64 39.29 3iq0 n ILE 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3iq0 n GLY 136 N 5.00 -0.12 0.34 7.39 0.00 0.69 -1.10 105.19 117.39 3iq0 n GLY 136 Ca 0.00 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.16 3iq0 n GLY 136 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iq0 h SER 137 N 0.00 0.00 1.47 1.61 4.64 -1.79 -1.59 113.55 117.89 3iq0 h SER 137 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3iq0 h SER 137 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3iq0 h SER 137 CO 0.00 0.00 0.00 0.28 -0.87 0.00 0.00 176.83 176.24 3iq0 h SER 138 N 0.00 0.00 -1.94 4.97 0.02 -1.93 -3.41 113.55 111.27 3iq0 h SER 138 Ca 0.03 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.27 3iq0 h SER 138 Cb 0.43 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 62.82 3iq0 h SER 138 CO -0.00 0.00 1.40 -0.76 -1.14 0.00 0.00 176.83 176.33 3iq0 s LEU 139 N -5.80 4.75 0.00 5.07 1.43 -0.60 -4.64 118.68 118.89 3iq0 s LEU 139 Ca 0.05 -2.61 0.00 0.00 -1.03 0.00 0.00 54.13 50.54 3iq0 s LEU 139 Cb 0.08 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3iq0 s LEU 139 CO 0.59 -0.93 0.74 2.22 0.23 0.00 0.00 176.35 179.20 3iq0 n PHE 140 N 6.49 0.00 -3.55 0.29 1.16 -1.26 -5.02 117.46 115.57 3iq0 n PHE 140 Ca 0.36 -0.27 -0.09 0.00 -1.87 0.00 0.00 57.45 55.57 3iq0 n PHE 140 Cb 0.45 -0.03 -0.02 0.00 -1.61 0.00 0.00 39.48 38.27 3iq0 n PHE 140 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 3iq0 s SER 141 N -0.55 -0.42 0.25 5.98 1.04 -1.26 -5.05 113.70 113.69 3iq0 s SER 141 Ca 0.00 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.23 3iq0 s SER 141 Cb 0.00 0.55 0.34 0.00 0.10 0.00 0.00 66.02 67.01 3iq0 s SER 141 CO 0.00 -0.93 1.86 0.15 0.98 0.00 0.00 173.24 175.30 3iq0 h PHE 142 N 2.00 1.03 0.00 5.02 3.57 -1.98 -2.10 116.94 124.48 3iq0 h PHE 142 Ca -0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.26 3iq0 h PHE 142 Cb 1.27 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3iq0 h PHE 142 CO 0.29 0.53 0.00 0.72 -2.23 0.00 0.00 178.31 177.62 3iq0 n HIS 143 N -4.59 0.00 0.00 0.41 8.25 -1.26 -0.85 115.22 117.17 3iq0 n HIS 143 Ca 0.13 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3iq0 n HIS 143 Cb 0.17 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.13 3iq0 n HIS 143 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3iq0 n VAL 145 N 0.86 0.00 -0.38 1.59 0.31 -0.79 -1.55 118.33 118.37 3iq0 n VAL 145 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3iq0 n VAL 145 Cb 0.16 0.00 0.11 0.00 -0.91 0.00 0.00 33.84 33.20 3iq0 n VAL 145 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3iq0 h ASP 146 N 0.00 1.15 0.15 4.52 3.32 -1.27 0.34 116.42 124.63 3iq0 h ASP 146 Ca 0.00 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3iq0 h ASP 146 Cb 0.00 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.27 3iq0 h ASP 146 CO 0.00 0.83 -0.07 0.00 -1.72 0.00 0.00 179.24 178.27 3iq0 h ALA 147 N 1.37 -0.20 -0.60 3.45 0.00 -1.53 -1.60 119.26 120.15 3iq0 h ALA 147 Ca 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3iq0 h ALA 147 Cb -0.14 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3iq0 h ALA 147 CO -0.08 -0.53 0.38 0.28 0.00 0.00 0.00 179.25 179.30 3iq0 h VAL 148 N -0.38 1.17 -0.72 0.00 2.07 -1.73 -1.91 116.25 114.75 3iq0 h VAL 148 Ca -0.02 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3iq0 h VAL 148 Cb 0.30 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3iq0 h VAL 148 CO 0.03 0.17 0.47 0.11 0.02 0.00 0.00 177.57 178.37 3iq0 h LYS 149 N 0.81 0.92 -0.24 1.57 1.57 -0.25 -0.38 116.57 120.57 3iq0 h LYS 149 Ca 0.22 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3iq0 h LYS 149 Cb -0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 3iq0 h LYS 149 CO -0.04 0.61 0.03 -0.22 -0.57 0.00 0.00 179.45 179.25 3iq0 h LYS 150 N 0.94 0.40 -0.44 3.15 3.64 -0.96 -2.15 116.57 121.14 3iq0 h LYS 150 Ca 0.28 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.45 3iq0 h LYS 150 Cb -0.06 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3iq0 h LYS 150 CO -0.08 0.54 -0.09 0.00 -2.27 0.00 0.00 179.45 177.55 3iq0 h ALA 151 N 0.84 0.61 -0.52 5.00 0.00 -1.19 -2.38 119.26 121.61 3iq0 h ALA 151 Ca 0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3iq0 h ALA 151 Cb 0.34 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3iq0 h ALA 151 CO 0.01 0.48 0.17 0.28 0.00 0.00 0.00 179.25 180.19 3iq0 h VAL 152 N 0.68 1.23 -0.14 0.00 2.07 -1.06 -2.22 116.25 116.80 3iq0 h VAL 152 Ca 0.11 -0.76 -0.11 0.00 0.82 0.00 0.00 66.70 66.77 3iq0 h VAL 152 Cb 0.63 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3iq0 h VAL 152 CO 0.04 0.28 -0.40 0.71 0.02 0.00 0.00 177.57 178.22 3iq0 h THR 153 N 0.71 1.31 -0.16 2.57 1.35 -1.35 0.37 112.91 117.71 3iq0 h THR 153 Ca 0.17 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.50 3iq0 h THR 153 Cb 0.26 1.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 3iq0 h THR 153 CO -0.01 0.46 0.06 0.40 -0.25 0.00 0.00 175.52 176.18 3iq0 h ILE 154 N 0.26 1.17 -0.23 6.82 2.04 -1.24 -0.22 117.51 126.11 3iq0 h ILE 154 Ca 0.02 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 3iq0 h ILE 154 Cb 0.83 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 3iq0 h ILE 154 CO 0.07 0.16 -0.05 0.58 0.00 0.00 0.00 178.15 178.91 3iq0 h VAL 155 N 0.09 1.28 -0.46 1.67 2.07 -1.24 -2.25 116.25 117.40 3iq0 h VAL 155 Ca 0.05 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.56 3iq0 h VAL 155 Cb 0.20 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3iq0 h VAL 155 CO -0.00 0.32 0.28 0.50 0.02 0.00 0.00 177.57 178.68 3iq0 h LYS 156 N 0.17 0.54 0.00 1.57 1.63 -0.90 0.12 116.57 119.70 3iq0 h LYS 156 Ca 0.06 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 3iq0 h LYS 156 Cb 0.50 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.00 3iq0 h LYS 156 CO 0.02 0.36 -0.07 0.00 -3.45 0.00 0.00 179.45 176.31 3iq0 h ALA 157 N 1.20 1.24 -0.39 5.00 0.00 -0.98 -1.38 119.26 123.95 3iq0 h ALA 157 Ca 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3iq0 h ALA 157 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iq0 h ALA 157 CO -0.08 0.09 0.00 -1.71 0.00 0.00 0.00 179.25 177.55 3iq0 n ASN 158 N -3.52 4.14 -0.75 0.00 5.15 -0.50 -4.88 115.26 114.90 3iq0 n ASN 158 Ca -0.02 -2.60 -0.09 0.00 -0.60 0.00 0.00 54.58 51.27 3iq0 n ASN 158 Cb 0.20 -0.61 -0.03 0.00 -0.53 0.00 0.00 39.78 38.80 3iq0 n ASN 158 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3iq0 n GLY 159 N 0.46 0.91 3.92 8.20 0.00 -0.52 -5.02 105.19 113.14 3iq0 n GLY 159 Ca 0.19 -0.61 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 3iq0 n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iq0 s GLY 160 N -2.86 1.65 -0.20 -0.02 0.00 0.28 -5.00 107.32 101.17 3iq0 s GLY 160 Ca 0.00 -0.76 -0.09 0.00 0.00 0.00 0.00 44.72 43.87 3iq0 s GLY 160 CO 0.00 -0.39 0.10 0.14 0.00 0.00 0.00 173.10 172.96 3iq0 s VAL 161 N -3.22 5.10 -0.20 1.40 1.01 0.11 -4.54 120.40 120.05 3iq0 s VAL 161 Ca 0.58 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.57 3iq0 s VAL 161 Cb -0.11 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3iq0 s VAL 161 CO 0.46 0.43 0.07 -0.63 0.00 0.00 0.00 175.10 175.44 3iq0 s ILE 162 N 0.50 4.78 0.05 2.22 -1.09 -1.26 -0.79 121.20 125.62 3iq0 s ILE 162 Ca 0.06 -0.03 0.08 0.00 -2.23 0.00 0.00 60.65 58.53 3iq0 s ILE 162 Cb -0.12 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.55 3iq0 s ILE 162 CO 0.00 0.43 -0.21 -0.94 -1.23 0.00 0.00 174.94 172.99 3iq0 s SER 163 N 0.60 3.58 -0.06 3.58 1.04 -0.34 -0.70 113.70 121.39 3iq0 s SER 163 Ca 0.04 -0.50 -0.02 0.00 0.48 0.00 0.00 55.95 55.94 3iq0 s SER 163 Cb -0.13 -0.49 0.04 0.00 0.10 0.00 0.00 66.02 65.54 3iq0 s SER 163 CO 0.01 0.25 0.11 0.12 0.98 0.00 0.00 173.24 174.71 3iq0 s PHE 164 N -0.90 -0.08 -0.39 5.02 5.36 -0.09 -0.86 117.98 126.05 3iq0 s PHE 164 Ca 0.14 0.43 -0.04 0.00 -0.96 0.00 0.00 56.93 56.49 3iq0 s PHE 164 Cb -0.10 -0.31 0.09 0.00 -0.34 0.00 0.00 43.02 42.36 3iq0 s PHE 164 CO 0.04 -0.21 0.17 0.34 -1.46 0.00 0.00 175.22 174.10 3iq0 s ASP 165 N 1.98 5.28 -0.46 6.13 -1.08 -0.26 -4.47 116.67 123.79 3iq0 s ASP 165 Ca 0.01 -1.71 -0.05 0.00 -0.52 0.00 0.00 52.55 50.28 3iq0 s ASP 165 Cb -0.12 -1.85 -0.13 0.00 -1.46 0.00 0.00 42.92 39.37 3iq0 s ASP 165 CO -0.05 -0.48 2.45 -0.81 0.52 0.00 0.00 175.17 176.80 3iq0 n PRO 166 N 4.69 1.80 -1.09 4.34 -0.04 -1.26 -0.22 135.00 143.21 3iq0 n PRO 166 Ca -0.07 -1.07 -0.18 0.00 -0.04 0.00 0.00 63.50 62.14 3iq0 n PRO 166 Cb 0.42 -2.13 -0.14 0.00 -0.04 0.00 0.00 33.50 31.62 3iq0 n PRO 166 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3iq0 n ASN 167 N 3.27 6.04 -4.91 3.54 6.94 -1.26 -4.81 115.26 124.06 3iq0 n ASN 167 Ca 0.38 -2.53 -0.27 0.00 -0.02 0.00 0.00 54.58 52.14 3iq0 n ASN 167 Cb 0.41 -1.44 0.05 0.00 -2.36 0.00 0.00 39.78 36.44 3iq0 n ASN 167 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3iq0 s ILE 168 N 1.09 3.20 -0.22 1.53 -4.36 -1.26 -3.28 121.20 117.89 3iq0 s ILE 168 Ca 0.67 0.01 -0.17 0.00 -0.26 0.00 0.00 60.65 60.90 3iq0 s ILE 168 Cb 0.29 -3.32 -0.03 0.00 1.25 0.00 0.00 42.46 40.65 3iq0 s ILE 168 CO -0.02 -0.35 0.47 -0.13 0.24 0.00 0.00 174.94 175.14 3iq0 s ARG 169 N -5.15 4.14 0.51 0.37 0.52 -1.26 -4.95 118.95 113.13 3iq0 s ARG 169 Ca 0.57 0.30 0.39 0.00 -0.52 0.00 0.00 55.73 56.46 3iq0 s ARG 169 Cb -0.11 -3.59 1.56 0.00 0.52 0.00 0.00 34.95 33.34 3iq0 s ARG 169 CO 0.46 -0.18 1.67 0.87 0.02 0.00 0.00 175.30 178.14 3iq0 h LYS 170 N 7.64 0.05 -1.94 3.54 1.79 -1.99 -3.35 116.57 122.31 3iq0 h LYS 170 Ca -0.33 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 3iq0 h LYS 170 Cb 1.15 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3iq0 h LYS 170 CO 0.72 0.03 0.00 0.39 -1.08 0.00 0.00 179.45 179.51 3iq0 n GLU 171 N -4.25 0.00 0.00 3.15 4.71 -1.26 -4.04 120.64 118.95 3iq0 n GLU 171 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.51 3iq0 n GLU 171 Cb 1.56 -1.25 0.00 0.00 -1.01 0.00 0.00 31.44 30.74 3iq0 n GLU 171 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3iq0 n LEU 173 N 1.54 0.00 -0.02 -4.62 4.77 -1.26 -3.72 117.00 113.69 3iq0 n LEU 173 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 3iq0 n LEU 173 Cb 0.00 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 41.83 3iq0 n LEU 173 CO 0.00 0.00 1.00 0.47 -1.33 0.00 0.00 177.39 177.53 3iq0 n ASP 174 N 0.00 0.09 -4.33 -1.43 8.00 -1.26 -4.54 116.55 113.09 3iq0 n ASP 174 Ca 0.00 -0.28 -0.44 0.00 0.71 0.00 0.00 54.79 54.78 3iq0 n ASP 174 Cb 0.00 -0.22 -0.07 0.00 -0.02 0.00 0.00 41.12 40.81 3iq0 n ASP 174 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3iq0 s ILE 175 N -2.52 5.04 0.22 0.53 1.01 -1.24 -4.98 121.20 119.25 3iq0 s ILE 175 Ca 0.30 -1.35 -0.11 0.00 0.00 0.00 0.00 60.65 59.49 3iq0 s ILE 175 Cb 0.20 -4.14 0.30 0.00 0.01 0.00 0.00 42.46 38.83 3iq0 s ILE 175 CO 0.46 -0.72 1.31 -2.65 0.00 0.00 0.00 174.94 173.35 3iq0 n PRO 176 N 5.17 -0.14 0.00 2.79 -0.02 -1.26 -0.78 135.00 140.76 3iq0 n PRO 176 Ca -0.12 1.31 0.00 0.00 -2.02 0.00 0.00 63.50 62.66 3iq0 n PRO 176 Cb 0.42 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3iq0 n PRO 176 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3iq0 n GLU 177 N -5.31 0.00 0.00 -0.52 2.13 -1.26 0.12 120.64 115.80 3iq0 n GLU 177 Ca 0.11 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.93 3iq0 n GLU 177 Cb 0.38 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 31.11 3iq0 n GLU 177 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 3iq0 n ARG 179 N 0.48 0.00 0.03 5.31 0.63 0.04 -1.62 116.66 121.52 3iq0 n ARG 179 Ca 0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 3iq0 n ARG 179 Cb 0.00 0.00 0.16 0.00 0.45 0.00 0.00 32.46 33.07 3iq0 n ARG 179 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3iq0 h ASP 180 N 0.00 0.47 -0.67 6.15 3.32 -0.57 -2.30 116.42 122.83 3iq0 h ASP 180 Ca 0.00 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 3iq0 h ASP 180 Cb 0.00 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3iq0 h ASP 180 CO 0.00 0.79 0.14 0.00 -1.72 0.00 0.00 179.24 178.45 3iq0 h ALA 181 N 1.23 0.88 -0.57 3.45 0.00 -1.54 -1.23 119.26 121.49 3iq0 h ALA 181 Ca 0.04 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3iq0 h ALA 181 Cb 0.81 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3iq0 h ALA 181 CO 0.07 0.62 0.04 -0.07 0.00 0.00 0.00 179.25 179.91 3iq0 h LEU 182 N 1.01 0.91 -1.12 0.00 3.38 -1.80 -2.23 115.31 115.47 3iq0 h LEU 182 Ca 0.21 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3iq0 h LEU 182 Cb 0.40 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3iq0 h LEU 182 CO 0.01 0.95 -0.17 -0.74 0.09 0.00 0.00 178.44 178.58 3iq0 h HIS 183 N 0.88 0.45 0.44 1.13 2.76 -1.07 -2.41 115.15 117.34 3iq0 h HIS 183 Ca 0.17 -0.07 -0.02 0.00 -2.20 0.00 0.00 60.37 58.25 3iq0 h HIS 183 Cb 0.46 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.31 3iq0 h HIS 183 CO 0.03 0.57 -0.21 0.35 -1.30 0.00 0.00 177.93 177.37 3iq0 h PHE 184 N 0.39 -0.55 -0.13 5.26 3.57 -0.63 -1.50 116.94 123.35 3iq0 h PHE 184 Ca 0.07 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3iq0 h PHE 184 Cb 0.52 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 3iq0 h PHE 184 CO 0.01 -0.34 -0.03 0.28 -2.23 0.00 0.00 178.31 176.01 3iq0 h VAL 185 N -0.60 0.88 -0.97 1.41 2.07 -1.36 -2.29 116.25 115.39 3iq0 h VAL 185 Ca -0.06 -0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.56 3iq0 h VAL 185 Cb 0.46 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 3iq0 h VAL 185 CO 0.10 0.00 0.62 0.25 0.02 0.00 0.00 177.57 178.56 3iq0 h LEU 186 N 0.01 0.91 -2.24 2.57 5.85 -1.37 -0.22 115.31 120.82 3iq0 h LEU 186 Ca 0.06 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3iq0 h LEU 186 Cb 0.09 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 3iq0 h LEU 186 CO -0.13 0.52 -0.02 -0.08 -0.34 0.00 0.00 178.44 178.39 3iq0 h GLU 187 N 1.00 0.00 -0.41 1.25 4.81 -0.68 -1.80 114.58 118.76 3iq0 h GLU 187 Ca 0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 3iq0 h GLU 187 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3iq0 h GLU 187 CO -0.22 0.02 0.00 1.28 -0.73 0.00 0.00 179.01 179.37 3iq0 n LEU 188 N -4.05 3.13 -4.76 1.64 4.77 -0.20 -4.99 117.00 112.54 3iq0 n LEU 188 Ca -0.03 -2.03 -0.40 0.00 -0.03 0.00 0.00 56.01 53.52 3iq0 n LEU 188 Cb 0.11 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 40.86 3iq0 n LEU 188 CO 0.30 0.77 0.49 -0.89 -1.33 0.00 0.00 177.39 176.73 3iq0 s THR 189 N -1.06 4.50 -0.24 -5.08 2.01 -0.54 -4.59 115.64 110.64 3iq0 s THR 189 Ca 0.28 1.71 0.02 0.00 0.31 0.00 0.00 61.69 64.01 3iq0 s THR 189 Cb 0.15 -4.15 -0.16 0.00 0.01 0.00 0.00 72.50 68.35 3iq0 s THR 189 CO 0.18 0.45 -0.21 0.47 -0.69 0.00 0.00 174.62 174.82 3iq0 n ASP 190 N 2.12 2.06 -4.02 3.53 8.00 0.12 -3.96 116.55 124.39 3iq0 n ASP 190 Ca -0.04 -0.13 -0.31 0.00 0.71 0.00 0.00 54.79 55.02 3iq0 n ASP 190 Cb 0.49 -0.35 -0.15 0.00 -0.02 0.00 0.00 41.12 41.08 3iq0 n ASP 190 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3iq0 s ILE 191 N -2.49 1.86 0.42 0.53 1.01 -0.63 -0.79 121.20 121.11 3iq0 s ILE 191 Ca -0.32 -1.30 0.06 0.00 0.00 0.00 0.00 60.65 59.09 3iq0 s ILE 191 Cb 0.08 -1.97 0.06 0.00 0.01 0.00 0.00 42.46 40.65 3iq0 s ILE 191 CO 0.57 0.06 0.51 0.00 0.00 0.00 0.00 174.94 176.08 3iq0 n TYR 192 N 4.58 -2.05 0.00 3.97 9.36 -0.27 -0.91 117.16 131.83 3iq0 n TYR 192 Ca -0.14 -1.59 0.00 0.00 3.32 0.00 0.00 57.90 59.49 3iq0 n TYR 192 Cb 0.44 -0.38 0.00 0.00 -0.63 0.00 0.00 39.34 38.77 3iq0 n TYR 192 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3iq0 n PRO 194 N -1.80 0.00 -2.44 2.98 -0.04 -1.16 -0.77 135.00 131.76 3iq0 n PRO 194 Ca 0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.28 3iq0 n PRO 194 Cb 0.44 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.93 3iq0 n PRO 194 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3iq0 s SER 195 N 0.00 5.76 0.29 3.54 1.04 -1.26 -1.80 113.70 121.28 3iq0 s SER 195 Ca 0.00 0.77 0.04 0.00 0.48 0.00 0.00 55.95 57.24 3iq0 s SER 195 Cb 0.00 -1.84 0.68 0.00 0.10 0.00 0.00 66.02 64.96 3iq0 s SER 195 CO 0.00 -0.94 1.78 -0.08 0.98 0.00 0.00 173.24 174.98 3iq0 h GLU 196 N -0.08 0.76 0.00 4.02 4.81 -0.85 0.80 114.58 124.04 3iq0 h GLU 196 Ca -0.46 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3iq0 h GLU 196 Cb 1.24 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.45 3iq0 h GLU 196 CO 0.61 0.50 0.00 0.41 -0.73 0.00 0.00 179.01 179.80 3iq0 n GLY 197 N -1.33 -1.18 0.19 1.92 0.00 -1.26 -2.73 105.19 100.79 3iq0 n GLY 197 Ca 0.22 0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.37 3iq0 n GLY 197 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iq0 n GLU 198 N -2.05 1.93 -0.33 1.61 1.02 0.22 -4.66 120.64 118.38 3iq0 n GLU 198 Ca 0.02 -0.42 0.07 0.00 -0.02 0.00 0.00 57.16 56.82 3iq0 n GLU 198 Cb 0.20 -1.23 0.24 0.00 -0.02 0.00 0.00 31.44 30.64 3iq0 n GLU 198 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3iq0 h VAL 199 N 0.91 0.83 0.00 2.62 2.07 -1.21 -2.79 116.25 118.67 3iq0 h VAL 199 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3iq0 h VAL 199 Cb 0.44 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 3iq0 h VAL 199 CO 0.00 0.15 -0.49 -0.07 0.02 0.00 0.00 177.57 177.18 3iq0 h LEU 200 N 0.82 0.00 -0.70 2.57 3.38 -1.83 -3.40 115.31 116.15 3iq0 h LEU 200 Ca 0.49 -0.05 0.07 0.00 0.09 0.00 0.00 57.88 58.47 3iq0 h LEU 200 Cb 0.59 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.24 3iq0 h LEU 200 CO -0.31 0.03 -0.56 -0.07 0.09 0.00 0.00 178.44 177.62 3iq0 h LEU 201 N 0.00 -1.96 -3.96 1.67 4.07 -1.79 -2.60 115.31 110.73 3iq0 h LEU 201 Ca 0.00 0.28 -0.64 0.00 0.08 0.00 0.00 57.88 57.60 3iq0 h LEU 201 Cb 0.90 0.84 -0.28 0.00 1.08 0.00 0.00 40.66 43.20 3iq0 h LEU 201 CO 0.00 -0.30 0.83 0.18 -1.08 0.00 0.00 178.44 178.07 3iq0 n LEU 202 N -5.22 7.53 -4.01 1.67 4.77 -1.26 -4.93 117.00 115.54 3iq0 n LEU 202 Ca -0.01 -4.15 -0.17 0.00 -0.03 0.00 0.00 56.01 51.65 3iq0 n LEU 202 Cb 0.29 -0.97 -0.14 0.00 -2.33 0.00 0.00 43.42 40.27 3iq0 n LEU 202 CO -0.08 1.41 -0.42 -0.55 -1.33 0.00 0.00 177.39 176.42 3iq0 s SER 203 N -1.65 0.91 0.06 -1.43 0.15 -0.98 -5.01 113.70 105.75 3iq0 s SER 203 Ca 0.62 -0.21 0.25 0.00 0.70 0.00 0.00 55.95 57.31 3iq0 s SER 203 Cb 0.49 -0.08 0.99 0.00 -1.71 0.00 0.00 66.02 65.72 3iq0 s SER 203 CO 0.00 0.05 1.78 -0.81 1.20 0.00 0.00 173.24 175.46 3iq0 n PRO 204 N 2.65 0.07 -3.23 5.44 -0.04 -1.26 -4.79 135.00 133.84 3iq0 n PRO 204 Ca -0.15 0.13 -0.35 0.00 -0.04 0.00 0.00 63.50 63.10 3iq0 n PRO 204 Cb 0.57 -1.59 -0.06 0.00 -0.04 0.00 0.00 33.50 32.38 3iq0 n PRO 204 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3iq0 s HIS 205 N -3.05 3.56 -0.15 0.54 3.76 -1.26 -5.02 115.29 113.67 3iq0 s HIS 205 Ca 0.11 1.19 0.20 0.00 -0.15 0.00 0.00 55.06 56.41 3iq0 s HIS 205 Cb 0.15 -2.48 -0.14 0.00 1.11 0.00 0.00 32.58 31.22 3iq0 s HIS 205 CO 0.47 0.32 0.77 0.43 -0.85 0.00 0.00 174.74 175.87 3iq0 n SER 206 N 0.45 0.58 -4.75 1.40 7.64 -1.26 -4.72 113.62 112.96 3iq0 n SER 206 Ca -0.02 0.24 -0.36 0.00 1.01 0.00 0.00 58.87 59.74 3iq0 n SER 206 Cb 0.52 0.78 -0.08 0.00 -1.01 0.00 0.00 64.21 64.42 3iq0 n SER 206 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3iq0 s THR 207 N -3.21 4.73 0.22 0.44 -4.23 -1.26 -5.00 115.64 107.32 3iq0 s THR 207 Ca -0.04 -0.09 -0.09 0.00 -1.18 0.00 0.00 61.69 60.30 3iq0 s THR 207 Cb 0.10 -3.02 0.17 0.00 1.34 0.00 0.00 72.50 71.10 3iq0 s THR 207 CO 0.83 0.61 1.71 1.55 -0.54 0.00 0.00 174.62 178.78 3iq0 h PRO 208 N 5.12 0.30 -0.54 3.99 0.13 -1.95 0.15 132.00 139.19 3iq0 h PRO 208 Ca -0.52 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 64.67 3iq0 h PRO 208 Cb 1.20 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.21 3iq0 h PRO 208 CO 0.56 0.20 0.21 0.93 -0.23 0.00 0.00 178.00 179.66 3iq0 h GLU 209 N 0.31 0.39 -0.47 0.86 3.07 -1.99 0.11 114.58 116.86 3iq0 h GLU 209 Ca 0.34 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 59.08 3iq0 h GLU 209 Cb 0.50 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 3iq0 h GLU 209 CO -0.40 0.26 -0.05 -0.09 -1.40 0.00 0.00 179.01 177.33 3iq0 h ARG 210 N 0.40 0.86 -0.16 2.33 2.43 -1.69 -1.66 114.38 116.88 3iq0 h ARG 210 Ca 0.26 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 3iq0 h ARG 210 Cb 0.28 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3iq0 h ARG 210 CO -0.26 0.93 0.08 0.00 -1.51 0.00 0.00 179.97 179.21 3iq0 h ALA 211 N 0.90 0.21 -0.37 2.80 0.00 0.00 -0.35 119.26 122.45 3iq0 h ALA 211 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iq0 h ALA 211 Cb 0.58 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3iq0 h ALA 211 CO 0.03 -0.23 0.20 0.82 0.00 0.00 0.00 179.25 180.08 3iq0 h ILE 212 N 0.13 1.14 -0.92 0.00 2.04 -0.78 -0.40 117.51 118.73 3iq0 h ILE 212 Ca 0.06 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.61 3iq0 h ILE 212 Cb 0.12 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 3iq0 h ILE 212 CO -0.01 0.15 0.58 0.00 0.00 0.00 0.00 178.15 178.87 3iq0 h ALA 213 N 1.07 1.26 -0.49 1.87 0.00 -1.17 -2.03 119.26 119.77 3iq0 h ALA 213 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3iq0 h ALA 213 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3iq0 h ALA 213 CO -0.02 0.35 0.30 0.78 0.00 0.00 0.00 179.25 180.66 3iq0 h GLY 214 N 1.06 0.71 0.68 0.00 0.00 -0.13 -1.60 103.07 103.78 3iq0 h GLY 214 Ca 0.40 -0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.48 3iq0 h GLY 214 CO -0.17 0.28 0.21 0.74 0.00 0.00 0.00 176.54 177.60 3iq0 h PHE 215 N 0.66 0.38 -0.35 5.60 0.04 -0.40 0.31 116.94 123.17 3iq0 h PHE 215 Ca 0.18 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.95 3iq0 h PHE 215 Cb -0.02 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3iq0 h PHE 215 CO -0.03 0.17 0.17 -0.07 -0.60 0.00 0.00 178.31 177.95 3iq0 h LEU 216 N 0.42 0.46 -1.51 1.54 3.38 -1.23 -1.67 115.31 116.70 3iq0 h LEU 216 Ca 0.21 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3iq0 h LEU 216 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3iq0 h LEU 216 CO -0.17 0.45 -0.25 -0.33 0.09 0.00 0.00 178.44 178.23 3iq0 h GLU 217 N 0.43 0.00 0.00 1.13 5.08 -0.89 -2.45 114.58 117.88 3iq0 h GLU 217 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3iq0 h GLU 217 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3iq0 h GLU 217 CO -0.02 0.25 0.00 1.49 -1.00 0.00 0.00 179.01 179.74 3iq0 h GLU 218 N 0.00 0.00 0.00 2.33 4.81 -0.56 -3.47 114.58 117.69 3iq0 h GLU 218 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3iq0 h GLU 218 Cb 0.50 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3iq0 h GLU 218 CO 0.03 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 178.72 3iq0 n GLY 219 N 1.10 1.15 3.77 1.92 0.00 -0.91 -5.06 105.19 107.15 3iq0 n GLY 219 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3iq0 n GLY 219 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iq0 s VAL 220 N 0.00 2.53 -0.07 1.61 1.01 -0.68 -4.84 120.40 119.96 3iq0 s VAL 220 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.54 3iq0 s VAL 220 Cb 0.00 -3.34 -0.25 0.00 0.00 0.00 0.00 36.38 32.80 3iq0 s VAL 220 CO 0.00 0.12 0.57 0.11 0.00 0.00 0.00 175.10 175.90 3iq0 h LYS 221 N 3.40 0.14 -3.42 2.72 1.79 -1.19 -3.37 116.57 116.64 3iq0 h LYS 221 Ca -0.49 -0.24 -0.22 0.00 -2.18 0.00 0.00 60.65 57.52 3iq0 h LYS 221 Cb 1.23 0.09 -0.29 0.00 -1.58 0.00 0.00 32.23 31.68 3iq0 h LYS 221 CO 0.66 0.86 -0.61 -1.21 -1.08 0.00 0.00 179.45 178.07 3iq0 s GLU 222 N -2.58 0.09 -0.18 3.15 2.02 -0.79 -4.33 118.70 116.08 3iq0 s GLU 222 Ca -0.12 0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.09 3iq0 s GLU 222 Cb 0.07 -0.04 0.02 0.00 0.10 0.00 0.00 34.13 34.28 3iq0 s GLU 222 CO 0.81 -0.07 -0.20 0.08 0.02 0.00 0.00 175.26 175.90 3iq0 s VAL 223 N 0.48 2.05 -0.24 2.63 1.01 0.81 -1.11 120.40 126.02 3iq0 s VAL 223 Ca -0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.94 3iq0 s VAL 223 Cb -0.05 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.45 3iq0 s VAL 223 CO -0.02 0.52 0.01 -0.63 0.00 0.00 0.00 175.10 174.98 3iq0 s ILE 224 N 1.29 3.77 -0.26 2.22 -1.09 0.05 -0.18 121.20 126.99 3iq0 s ILE 224 Ca 0.05 -0.41 -0.06 0.00 -2.23 0.00 0.00 60.65 57.99 3iq0 s ILE 224 Cb -0.13 -2.77 -0.01 0.00 -1.58 0.00 0.00 42.46 37.97 3iq0 s ILE 224 CO -0.13 0.35 0.05 -0.69 -1.23 0.00 0.00 174.94 173.29 3iq0 s VAL 225 N 1.53 3.95 0.03 2.92 1.01 -0.27 -2.99 120.40 126.59 3iq0 s VAL 225 Ca 0.05 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 3iq0 s VAL 225 Cb -0.15 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 3iq0 s VAL 225 CO -0.00 0.24 0.75 -0.54 0.00 0.00 0.00 175.10 175.55 3iq0 s LYS 226 N 1.53 4.48 -0.18 2.72 1.02 -0.74 -1.16 119.74 127.41 3iq0 s LYS 226 Ca 0.05 1.04 0.13 0.00 0.02 0.00 0.00 55.97 57.21 3iq0 s LYS 226 Cb -0.16 -3.37 0.42 0.00 -0.52 0.00 0.00 37.83 34.21 3iq0 s LYS 226 CO 0.02 0.26 1.21 0.54 -0.92 0.00 0.00 175.35 176.46 3iq0 n ARG 227 N 2.90 1.42 0.00 1.68 1.74 -0.16 -0.11 116.66 124.13 3iq0 n ARG 227 Ca -0.02 -3.14 0.00 0.00 -0.77 0.00 0.00 57.85 53.92 3iq0 n ARG 227 Cb 0.50 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.56 3iq0 n ARG 227 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iq0 n GLY 228 N -0.84 3.51 0.00 -0.13 0.00 -1.25 -0.80 105.19 105.67 3iq0 n GLY 228 Ca 0.18 0.13 0.04 0.00 0.00 0.00 0.00 46.02 46.37 3iq0 n GLY 228 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3iq0 n ASN 229 N 5.67 0.00 -0.71 1.61 0.23 -1.26 -2.53 115.26 118.27 3iq0 n ASN 229 Ca 0.00 -1.16 0.07 0.00 -0.53 0.00 0.00 54.58 52.97 3iq0 n ASN 229 Cb 0.00 0.00 0.14 0.00 -2.08 0.00 0.00 39.78 37.84 3iq0 n ASN 229 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iq0 n GLN 230 N -0.68 2.06 0.00 -3.83 1.13 0.02 -4.54 117.38 111.54 3iq0 n GLN 230 Ca 0.06 -1.85 0.00 0.00 -1.94 0.00 0.00 57.00 53.27 3iq0 n GLN 230 Cb 0.03 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.06 3iq0 n GLN 230 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3iq0 n GLY 231 N 0.80 0.85 3.46 1.08 0.00 -1.05 -4.08 105.19 106.26 3iq0 n GLY 231 Ca 0.12 -1.51 -0.15 0.00 0.00 0.00 0.00 46.02 44.49 3iq0 n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iq0 s ALA 232 N -1.98 -1.67 0.21 4.61 0.00 -0.79 -0.98 121.76 121.15 3iq0 s ALA 232 Ca 0.00 0.85 0.08 0.00 0.00 0.00 0.00 51.96 52.89 3iq0 s ALA 232 Cb 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 3iq0 s ALA 232 CO 0.00 -0.60 -0.15 -1.12 0.00 0.00 0.00 175.76 173.89 3iq0 s SER 233 N -2.08 2.68 -0.03 0.00 0.01 -0.30 -1.08 113.70 112.89 3iq0 s SER 233 Ca -0.04 -1.02 0.03 0.00 1.31 0.00 0.00 55.95 56.23 3iq0 s SER 233 Cb -0.01 -0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.07 3iq0 s SER 233 CO -0.03 -0.15 -0.12 -0.47 0.41 0.00 0.00 173.24 172.87 3iq0 s TYR 234 N -2.93 1.26 -0.04 2.43 5.04 -0.12 -1.11 117.35 121.89 3iq0 s TYR 234 Ca 0.23 -0.33 0.01 0.00 -2.44 0.00 0.00 57.07 54.54 3iq0 s TYR 234 Cb -0.01 -0.87 0.02 0.00 0.35 0.00 0.00 41.96 41.45 3iq0 s TYR 234 CO 0.08 -0.12 -0.03 0.71 -1.34 0.00 0.00 175.55 174.85 3iq0 s TYR 235 N 0.11 0.57 0.28 4.97 2.02 0.75 -2.12 117.35 123.93 3iq0 s TYR 235 Ca -0.03 -0.12 -0.05 0.00 -0.37 0.00 0.00 57.07 56.50 3iq0 s TYR 235 Cb -0.10 -0.55 -0.01 0.00 -0.40 0.00 0.00 41.96 40.90 3iq0 s TYR 235 CO 0.01 -0.16 0.40 -1.54 -1.57 0.00 0.00 175.55 172.69 3iq0 s SER 236 N 0.91 0.46 0.28 2.29 1.04 -0.49 -0.13 113.70 118.06 3iq0 s SER 236 Ca -0.11 -1.29 0.05 0.00 0.48 0.00 0.00 55.95 55.08 3iq0 s SER 236 Cb -0.14 0.58 0.39 0.00 0.10 0.00 0.00 66.02 66.95 3iq0 s SER 236 CO -0.00 -1.15 1.66 0.00 0.98 0.00 0.00 173.24 174.73 3iq0 h ALA 237 N 2.26 1.03 0.03 5.32 0.00 -1.94 -3.28 119.26 122.68 3iq0 h ALA 237 Ca -0.29 -0.44 -0.15 0.00 0.00 0.00 0.00 54.91 54.04 3iq0 h ALA 237 Cb 1.24 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.96 3iq0 h ALA 237 CO 0.40 0.62 -0.59 -0.91 0.00 0.00 0.00 179.25 178.77 3iq0 h ASN 238 N 0.23 0.47 -5.59 0.00 -0.26 -1.95 -3.48 115.58 104.99 3iq0 h ASN 238 Ca 0.02 -0.81 -0.28 0.00 -0.56 0.00 0.00 56.30 54.67 3iq0 h ASN 238 Cb 0.87 -0.14 -0.11 0.00 -1.06 0.00 0.00 38.32 37.88 3iq0 h ASN 238 CO 0.07 1.22 -0.36 -1.83 -1.06 0.00 0.00 177.43 175.47 3iq0 s GLU 239 N -3.01 1.63 -0.27 0.81 -1.05 -1.24 -5.16 118.70 110.42 3iq0 s GLU 239 Ca -0.14 -1.71 -0.08 0.00 -0.15 0.00 0.00 54.97 52.89 3iq0 s GLU 239 Cb 0.02 0.37 0.12 0.00 -0.44 0.00 0.00 34.13 34.21 3iq0 s GLU 239 CO 0.81 -0.63 0.58 -1.14 0.95 0.00 0.00 175.26 175.83 3iq0 s GLN 240 N -3.58 0.50 0.27 -4.83 0.74 -1.26 -1.39 119.66 110.11 3iq0 s GLN 240 Ca 0.34 1.29 -0.06 0.00 0.05 0.00 0.00 55.36 56.98 3iq0 s GLN 240 Cb 0.02 0.68 -0.01 0.00 1.10 0.00 0.00 33.01 34.80 3iq0 s GLN 240 CO 0.18 -0.25 0.38 -0.59 -0.55 0.00 0.00 175.29 174.46 3iq0 s PHE 241 N 2.81 0.83 0.04 1.67 -0.12 -0.90 -5.00 117.98 117.31 3iq0 s PHE 241 Ca -0.03 -1.10 0.00 0.00 -0.05 0.00 0.00 56.93 55.75 3iq0 s PHE 241 Cb -0.12 -0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.12 3iq0 s PHE 241 CO -0.17 -0.94 -0.04 -1.58 -0.05 0.00 0.00 175.22 172.44 3iq0 s HIS 242 N -3.74 0.44 -0.03 3.49 5.65 -1.26 -0.94 115.29 118.89 3iq0 s HIS 242 Ca 0.30 -0.66 0.03 0.00 0.25 0.00 0.00 55.06 54.97 3iq0 s HIS 242 Cb 0.02 -0.29 0.00 0.00 -1.18 0.00 0.00 32.58 31.12 3iq0 s HIS 242 CO 0.14 -0.21 -0.11 0.14 -0.65 0.00 0.00 174.74 174.06 3iq0 s VAL 243 N -2.10 0.91 0.71 0.89 -7.23 -0.24 -5.01 120.40 108.32 3iq0 s VAL 243 Ca -0.08 -0.43 -0.11 0.00 -1.81 0.00 0.00 61.98 59.55 3iq0 s VAL 243 Cb -0.05 -0.80 0.02 0.00 0.56 0.00 0.00 36.38 36.11 3iq0 s VAL 243 CO -0.03 0.28 1.07 -1.61 -0.31 0.00 0.00 175.10 174.49 3iq0 s GLU 244 N 0.14 2.82 0.56 4.82 2.02 -1.26 -1.89 118.70 125.90 3iq0 s GLU 244 Ca -0.03 0.85 -0.15 0.00 0.02 0.00 0.00 54.97 55.66 3iq0 s GLU 244 Cb -0.09 -1.98 -0.06 0.00 0.10 0.00 0.00 34.13 32.10 3iq0 s GLU 244 CO 0.01 -1.15 1.01 -1.54 0.02 0.00 0.00 175.26 173.60 3iq0 s SER 245 N -3.88 6.36 -0.30 -0.19 1.04 -1.26 -4.68 113.70 110.79 3iq0 s SER 245 Ca 0.58 1.58 -0.17 0.00 0.48 0.00 0.00 55.95 58.42 3iq0 s SER 245 Cb -0.14 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.46 3iq0 s SER 245 CO 0.55 -0.77 0.48 -0.31 0.98 0.00 0.00 173.24 174.17 3iq0 s TYR 246 N -2.73 3.22 -0.01 5.02 2.02 -1.26 -4.93 117.35 118.68 3iq0 s TYR 246 Ca 0.59 0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 57.37 3iq0 s TYR 246 Cb -0.11 -2.78 -0.07 0.00 -0.40 0.00 0.00 41.96 38.60 3iq0 s TYR 246 CO 0.38 -0.39 1.73 -1.25 -1.57 0.00 0.00 175.55 174.45 3iq0 s PRO 247 N 2.30 4.18 0.31 -1.71 0.04 -1.26 -4.95 135.00 133.90 3iq0 s PRO 247 Ca 0.19 2.31 0.04 0.00 0.04 0.00 0.00 61.00 63.58 3iq0 s PRO 247 Cb -0.16 -3.97 -0.03 0.00 0.04 0.00 0.00 34.50 30.38 3iq0 s PRO 247 CO 0.11 -0.85 0.19 0.14 0.04 0.00 0.00 177.00 176.63 3iq0 s VAL 248 N 3.92 0.19 -0.68 -0.36 -7.23 -1.26 -5.11 120.40 109.88 3iq0 s VAL 248 Ca 0.77 -2.00 -0.15 0.00 -1.81 0.00 0.00 61.98 58.79 3iq0 s VAL 248 Cb -0.36 -2.49 0.17 0.00 0.56 0.00 0.00 36.38 34.26 3iq0 s VAL 248 CO 0.33 0.00 0.63 -1.61 -0.31 0.00 0.00 175.10 174.14 3iq0 s GLU 249 N -3.73 3.28 0.31 4.82 0.41 -1.26 -5.04 118.70 117.48 3iq0 s GLU 249 Ca 0.37 -2.06 -0.29 0.00 -0.41 0.00 0.00 54.97 52.58 3iq0 s GLU 249 Cb 0.04 -4.36 -0.11 0.00 -1.78 0.00 0.00 34.13 27.92 3iq0 s GLU 249 CO 0.20 -1.31 1.45 -2.00 -0.49 0.00 0.00 175.26 173.11 3iq0 s GLU 250 N 0.94 4.22 0.00 1.61 2.12 -1.26 -4.39 118.70 121.94 3iq0 s GLU 250 Ca 0.10 2.40 0.00 0.00 0.36 0.00 0.00 54.97 57.83 3iq0 s GLU 250 Cb -0.21 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.13 3iq0 s GLU 250 CO -0.03 -0.44 0.00 0.28 -0.54 0.00 0.00 175.26 174.54 3iq0 n VAL 251 N 1.52 0.00 -3.56 3.70 0.31 0.16 -4.97 118.33 115.48 3iq0 n VAL 251 Ca 0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.27 3iq0 n VAL 251 Cb 0.40 -0.33 -0.10 0.00 -0.91 0.00 0.00 33.84 32.90 3iq0 n VAL 251 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3iq0 s ASP 252 N -3.63 0.10 0.00 4.52 -1.08 -0.91 -4.88 116.67 110.80 3iq0 s ASP 252 Ca 0.00 0.62 0.22 0.00 -0.52 0.00 0.00 52.55 52.88 3iq0 s ASP 252 Cb 0.00 1.10 0.56 0.00 -1.46 0.00 0.00 42.92 43.12 3iq0 s ASP 252 CO 0.00 -0.26 1.46 -0.81 0.52 0.00 0.00 175.17 176.08 3iq0 n PRO 253 N 5.37 2.13 0.28 4.34 -0.04 -1.26 -3.98 135.00 141.84 3iq0 n PRO 253 Ca -0.06 -1.70 0.13 0.00 -0.04 0.00 0.00 63.50 61.83 3iq0 n PRO 253 Cb 0.50 -1.46 0.81 0.00 -0.04 0.00 0.00 33.50 33.31 3iq0 n PRO 253 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3iq0 h THR 254 N 3.47 0.61 -0.13 0.52 1.35 -1.95 -3.01 112.91 113.76 3iq0 h THR 254 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 3iq0 h THR 254 Cb 0.76 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3iq0 h THR 254 CO 0.00 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 3iq0 n GLY 255 N -1.09 0.88 0.12 5.82 0.00 -1.26 -4.68 105.19 104.98 3iq0 n GLY 255 Ca -0.03 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 3iq0 n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iq0 h ALA 256 N 1.81 0.22 -0.60 4.61 0.00 -1.82 -0.40 119.26 123.08 3iq0 h ALA 256 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3iq0 h ALA 256 Cb 0.52 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3iq0 h ALA 256 CO 0.00 -0.40 -0.01 0.78 0.00 0.00 0.00 179.25 179.62 3iq0 h GLY 257 N 0.10 1.15 0.86 0.00 0.00 -1.83 -0.67 103.07 102.68 3iq0 h GLY 257 Ca 0.11 -0.86 -0.01 0.00 0.00 0.00 0.00 47.33 46.57 3iq0 h GLY 257 CO -0.17 0.79 0.05 -0.55 0.00 0.00 0.00 176.54 176.66 3iq0 h ASP 258 N 0.97 0.23 -0.37 0.19 3.32 -1.77 -1.77 116.42 117.21 3iq0 h ASP 258 Ca 0.17 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 3iq0 h ASP 258 Cb 0.57 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3iq0 h ASP 258 CO 0.03 0.36 -0.04 0.00 -1.72 0.00 0.00 179.24 177.88 3iq0 h PHE 260 N 0.48 0.78 -0.20 0.00 3.57 -1.08 -0.45 116.94 120.05 3iq0 h PHE 260 Ca 0.10 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3iq0 h PHE 260 Cb 0.52 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3iq0 h PHE 260 CO 0.04 0.31 0.02 0.78 -2.23 0.00 0.00 178.31 177.24 3iq0 h GLY 261 N 0.73 0.36 1.40 2.40 0.00 -1.09 -0.90 103.07 105.98 3iq0 h GLY 261 Ca 0.38 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 3iq0 h GLY 261 CO -0.25 0.23 0.21 -1.33 0.00 0.00 0.00 176.54 175.39 3iq0 h GLY 262 N 0.12 0.82 0.78 4.60 0.00 -0.85 -1.65 103.07 106.90 3iq0 h GLY 262 Ca 0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3iq0 h GLY 262 CO 0.01 0.39 -0.00 0.00 0.00 0.00 0.00 176.54 176.94 3iq0 h ALA 263 N 1.47 0.19 0.14 3.60 0.00 -0.90 -0.48 119.26 123.28 3iq0 h ALA 263 Ca 0.18 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3iq0 h ALA 263 Cb 0.16 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3iq0 h ALA 263 CO -0.02 -0.11 -0.28 2.35 0.00 0.00 0.00 179.25 181.20 3iq0 h TRP 264 N -0.01 -0.76 -0.55 0.00 2.91 -0.83 0.18 115.95 116.89 3iq0 h TRP 264 Ca 0.04 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.07 3iq0 h TRP 264 Cb 0.38 0.31 -0.03 0.00 -0.51 0.00 0.00 29.16 29.31 3iq0 h TRP 264 CO 0.04 -0.39 0.33 0.82 -1.03 0.00 0.00 178.44 178.20 3iq0 h ILE 265 N -0.51 1.17 -0.05 2.65 1.08 -1.31 -1.41 117.51 119.13 3iq0 h ILE 265 Ca 0.02 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.10 3iq0 h ILE 265 Cb 0.53 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 34.71 3iq0 h ILE 265 CO -0.15 0.18 0.01 0.00 -0.69 0.00 0.00 178.15 177.50 3iq0 h ALA 266 N 1.16 0.06 -0.92 1.87 0.00 -0.91 -1.41 119.26 119.11 3iq0 h ALA 266 Ca 0.20 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3iq0 h ALA 266 Cb -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 3iq0 h ALA 266 CO -0.04 -0.30 0.60 0.00 0.00 0.00 0.00 179.25 179.51 3iq0 h ARG 268 N 1.15 0.82 0.00 0.00 2.47 -1.17 -1.07 114.38 116.59 3iq0 h ARG 268 Ca 0.37 -0.18 -0.05 0.00 -1.26 0.00 0.00 59.98 58.86 3iq0 h ARG 268 Cb 0.02 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.22 3iq0 h ARG 268 CO -0.12 0.76 -0.22 1.96 0.56 0.00 0.00 179.97 182.91 3iq0 h GLN 269 N 0.78 0.00 -0.07 0.04 1.08 0.03 -1.37 115.11 115.60 3iq0 h GLN 269 Ca 0.17 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.37 3iq0 h GLN 269 Cb 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 3iq0 h GLN 269 CO 0.01 0.22 0.00 1.28 -0.95 0.00 0.00 178.83 179.38 3iq0 n LEU 270 N -4.23 0.65 0.00 1.46 4.77 -0.19 -4.90 117.00 114.56 3iq0 n LEU 270 Ca -0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3iq0 n LEU 270 Cb 0.28 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3iq0 n LEU 270 CO 0.37 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3iq0 n GLY 271 N 0.89 0.65 3.77 -0.72 0.00 -0.52 -5.05 105.19 104.22 3iq0 n GLY 271 Ca 0.13 -0.29 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 3iq0 n GLY 271 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iq0 s PHE 272 N -2.00 2.86 0.80 1.61 0.40 -0.70 -5.01 117.98 115.94 3iq0 s PHE 272 Ca 0.00 1.55 -0.11 0.00 -0.60 0.00 0.00 56.93 57.77 3iq0 s PHE 272 Cb 0.00 -3.32 0.09 0.00 0.51 0.00 0.00 43.02 40.30 3iq0 s PHE 272 CO 0.00 -1.41 1.15 0.16 0.70 0.00 0.00 175.22 175.82 3iq0 s ASP 273 N -1.52 4.45 0.24 1.36 1.47 -1.26 -4.63 116.67 116.78 3iq0 s ASP 273 Ca 0.66 0.63 -0.05 0.00 1.18 0.00 0.00 52.55 54.96 3iq0 s ASP 273 Cb -0.26 -1.12 0.40 0.00 -0.34 0.00 0.00 42.92 41.59 3iq0 s ASP 273 CO 0.31 -1.91 1.76 0.00 0.68 0.00 0.00 175.17 176.02 3iq0 h ALA 274 N -0.99 1.03 -0.32 2.11 0.00 -1.98 -0.84 119.26 118.26 3iq0 h ALA 274 Ca -0.45 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3iq0 h ALA 274 Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3iq0 h ALA 274 CO 0.62 -0.11 0.15 0.45 0.00 0.00 0.00 179.25 180.35 3iq0 h HIS 275 N 0.55 0.48 -0.26 0.00 3.86 -1.99 -0.69 115.15 117.10 3iq0 h HIS 275 Ca 0.38 -0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.47 3iq0 h HIS 275 Cb 0.48 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 3iq0 h HIS 275 CO -0.13 0.43 -0.20 -0.09 0.86 0.00 0.00 177.93 178.81 3iq0 h ARG 276 N 0.38 0.59 -0.93 2.45 2.43 -1.86 -1.85 114.38 115.59 3iq0 h ARG 276 Ca 0.11 -0.29 0.03 0.00 -0.81 0.00 0.00 59.98 59.02 3iq0 h ARG 276 Cb 0.14 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3iq0 h ARG 276 CO -0.01 0.88 0.61 0.00 -1.51 0.00 0.00 179.97 179.93 3iq0 h ALA 277 N 0.70 1.23 -0.34 2.80 0.00 -1.10 -0.66 119.26 121.90 3iq0 h ALA 277 Ca 0.05 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3iq0 h ALA 277 Cb 0.74 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3iq0 h ALA 277 CO 0.05 0.49 -0.28 1.25 0.00 0.00 0.00 179.25 180.77 3iq0 h LEU 278 N 1.19 0.72 -0.18 0.00 5.85 -1.01 -0.05 115.31 121.83 3iq0 h LEU 278 Ca 0.37 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3iq0 h LEU 278 Cb -0.02 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3iq0 h LEU 278 CO -0.11 0.96 0.08 -0.61 -0.34 0.00 0.00 178.44 178.42 3iq0 h GLN 279 N 0.61 0.27 -0.42 1.25 4.15 -0.50 -0.34 115.11 120.12 3iq0 h GLN 279 Ca 0.08 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 3iq0 h GLN 279 Cb 0.78 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 3iq0 h GLN 279 CO 0.06 0.34 0.02 1.88 -1.93 0.00 0.00 178.83 179.20 3iq0 h TYR 280 N 0.15 0.79 -0.44 3.99 0.99 -1.03 -1.08 116.97 120.34 3iq0 h TYR 280 Ca 0.06 -0.13 0.03 0.00 2.00 0.00 0.00 58.73 60.70 3iq0 h TYR 280 Cb 0.16 -0.21 -0.04 0.00 1.00 0.00 0.00 36.73 37.65 3iq0 h TYR 280 CO -0.02 0.78 0.22 0.00 -0.00 0.00 0.00 178.16 179.15 3iq0 h ALA 281 N 0.91 0.55 -0.31 3.88 0.00 -0.91 0.34 119.26 123.72 3iq0 h ALA 281 Ca 0.12 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3iq0 h ALA 281 Cb 0.46 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3iq0 h ALA 281 CO 0.02 -0.13 0.14 -0.97 0.00 0.00 0.00 179.25 178.31 3iq0 h ASN 282 N 0.45 0.21 -0.18 0.00 -1.24 -0.86 -0.92 115.58 113.03 3iq0 h ASN 282 Ca 0.19 0.02 -0.10 0.00 0.71 0.00 0.00 56.30 57.12 3iq0 h ASN 282 Cb 0.09 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 3iq0 h ASN 282 CO -0.13 0.16 -0.22 0.00 -1.29 0.00 0.00 177.43 175.95 3iq0 h ALA 283 N 1.17 1.01 -0.39 1.57 0.00 -0.63 -2.16 119.26 119.83 3iq0 h ALA 283 Ca 0.13 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 3iq0 h ALA 283 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3iq0 h ALA 283 CO -0.10 0.59 0.10 0.00 0.00 0.00 0.00 179.25 179.83 3iq0 h GLY 285 N 0.48 0.65 0.91 0.00 0.00 -1.04 -1.15 103.07 102.92 3iq0 h GLY 285 Ca 0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 3iq0 h GLY 285 CO 0.00 0.40 0.08 0.00 0.00 0.00 0.00 176.54 177.02 3iq0 h ALA 286 N 1.38 0.45 -0.63 3.60 0.00 -1.15 -2.89 119.26 120.02 3iq0 h ALA 286 Ca 0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3iq0 h ALA 286 Cb 0.45 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3iq0 h ALA 286 CO 0.02 0.13 0.16 -0.07 0.00 0.00 0.00 179.25 179.49 3iq0 h LEU 287 N 0.40 0.93 -0.76 0.00 3.38 -1.02 -3.09 115.31 115.15 3iq0 h LEU 287 Ca 0.11 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3iq0 h LEU 287 Cb 0.31 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 3iq0 h LEU 287 CO 0.00 0.90 0.46 0.00 0.09 0.00 0.00 178.44 179.89 3iq0 h ALA 288 N 1.22 1.03 0.00 1.53 0.00 -1.01 -2.50 119.26 119.53 3iq0 h ALA 288 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3iq0 h ALA 288 Cb 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3iq0 h ALA 288 CO -0.00 0.19 0.00 1.33 0.00 0.00 0.00 179.25 180.77 3iq0 n VAL 289 N -4.68 0.45 1.57 0.00 0.24 -1.14 -3.02 118.33 111.75 3iq0 n VAL 289 Ca 0.10 0.11 0.15 0.00 -2.04 0.00 0.00 64.34 62.66 3iq0 n VAL 289 Cb 0.15 -0.81 0.67 0.00 -1.47 0.00 0.00 33.84 32.38 3iq0 n VAL 289 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3iq0 n THR 290 N -1.29 0.00 -4.34 3.34 -2.24 -0.94 0.35 114.28 109.16 3iq0 n THR 290 Ca 0.09 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.59 3iq0 n THR 290 Cb 0.15 -0.04 -0.14 0.00 -2.10 0.00 0.00 70.33 68.20 3iq0 n THR 290 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3iq0 s ARG 291 N -2.25 0.81 0.70 -0.78 0.52 -1.17 -4.69 118.95 112.10 3iq0 s ARG 291 Ca 0.36 -0.56 -0.11 0.00 -0.52 0.00 0.00 55.73 54.90 3iq0 s ARG 291 Cb 0.21 -0.77 0.01 0.00 0.52 0.00 0.00 34.95 34.92 3iq0 s ARG 291 CO 0.42 0.20 1.07 1.03 0.02 0.00 0.00 175.30 178.03 3iq0 s ARG 292 N -0.75 2.87 0.00 3.54 0.52 -1.26 -4.28 118.95 119.59 3iq0 s ARG 292 Ca 0.01 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 56.00 3iq0 s ARG 292 Cb -0.06 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.41 3iq0 s ARG 292 CO 0.00 -1.10 0.00 0.41 0.02 0.00 0.00 175.30 174.63 3iq0 n GLY 293 N -2.29 1.29 0.00 -3.53 0.00 -1.26 -4.53 105.19 94.87 3iq0 n GLY 293 Ca 0.07 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3iq0 n GLY 293 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iq0 n PRO 294 N 2.40 0.00 -0.51 1.61 -0.02 -1.26 -4.22 135.00 133.00 3iq0 n PRO 294 Ca 0.00 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3iq0 n PRO 294 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3iq0 n PRO 294 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3iq0 n GLU 296 N -0.96 0.00 -0.04 -0.52 -0.58 -1.26 -4.56 120.64 112.71 3iq0 n GLU 296 Ca 0.00 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.83 3iq0 n GLU 296 Cb 0.13 -3.97 0.10 0.00 -0.57 0.00 0.00 31.44 27.14 3iq0 n GLU 296 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iq0 n GLY 297 N -2.00 0.73 3.76 0.62 0.00 -1.26 -4.91 105.19 102.12 3iq0 n GLY 297 Ca 0.00 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 3iq0 n GLY 297 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iq0 s THR 298 N -1.50 2.75 0.15 2.61 -4.23 -1.26 -3.56 115.64 110.60 3iq0 s THR 298 Ca 0.24 0.45 0.05 0.00 -1.18 0.00 0.00 61.69 61.25 3iq0 s THR 298 Cb 0.16 -3.14 -0.04 0.00 1.34 0.00 0.00 72.50 70.82 3iq0 s THR 298 CO 0.24 -0.12 -0.12 -0.44 -0.54 0.00 0.00 174.62 173.64 3iq0 s SER 299 N -1.75 1.93 0.32 3.99 0.01 -1.26 -5.01 113.70 111.94 3iq0 s SER 299 Ca 0.75 -0.96 0.05 0.00 1.31 0.00 0.00 55.95 57.10 3iq0 s SER 299 Cb -0.28 -0.04 -0.02 0.00 0.21 0.00 0.00 66.02 65.89 3iq0 s SER 299 CO 0.34 -0.27 0.47 0.00 0.41 0.00 0.00 173.24 174.19 3iq0 s ARG 300 N -3.47 3.25 0.00 12.44 1.70 -1.26 -4.61 118.95 127.00 3iq0 s ARG 300 Ca 0.15 -0.79 0.00 0.00 -0.47 0.00 0.00 55.73 54.62 3iq0 s ARG 300 Cb 0.00 -2.79 0.00 0.00 -0.57 0.00 0.00 34.95 31.59 3iq0 s ARG 300 CO 0.02 0.14 0.00 -0.11 -1.08 0.00 0.00 175.30 174.27 3iq0 n LEU 301 N -1.65 0.00 0.00 -1.89 7.94 -1.26 -2.03 117.00 118.11 3iq0 n LEU 301 Ca -0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3iq0 n LEU 301 Cb 0.57 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.52 3iq0 n LEU 301 CO 0.44 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 176.10 3iq0 n GLU 303 N 0.35 0.00 -0.18 1.96 1.02 -1.26 -0.88 120.64 121.65 3iq0 n GLU 303 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 3iq0 n GLU 303 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.44 3iq0 n GLU 303 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3iq0 h ILE 304 N 0.00 1.15 -0.59 -3.67 2.04 -1.77 -0.94 117.51 113.73 3iq0 h ILE 304 Ca 0.00 -0.30 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 3iq0 h ILE 304 Cb 0.00 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 3iq0 h ILE 304 CO 0.00 0.15 -0.05 -0.33 0.00 0.00 0.00 178.15 177.92 3iq0 h GLU 305 N 0.70 1.07 -0.58 2.37 5.08 -1.29 -0.86 114.58 121.06 3iq0 h GLU 305 Ca 0.19 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 3iq0 h GLU 305 Cb -0.04 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3iq0 h GLU 305 CO -0.04 1.07 0.15 1.15 -1.00 0.00 0.00 179.01 180.34 3iq0 h THR 306 N 0.96 1.25 -0.59 1.13 2.02 -1.77 0.29 112.91 116.21 3iq0 h THR 306 Ca 0.16 -0.87 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3iq0 h THR 306 Cb 0.61 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 3iq0 h THR 306 CO 0.04 0.33 0.37 0.15 0.37 0.00 0.00 175.52 176.77 3iq0 h PHE 307 N 0.83 0.76 -0.02 3.16 3.57 -0.91 -0.02 116.94 124.31 3iq0 h PHE 307 Ca 0.18 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.69 3iq0 h PHE 307 Cb 0.33 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 3iq0 h PHE 307 CO 0.02 0.50 0.01 0.82 -2.23 0.00 0.00 178.31 177.44 3iq0 h ILE 308 N 0.79 1.14 -0.12 1.41 2.04 -0.83 -2.86 117.51 119.10 3iq0 h ILE 308 Ca 0.21 -0.43 0.04 0.00 1.00 0.00 0.00 64.86 65.69 3iq0 h ILE 308 Cb -0.05 1.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.38 3iq0 h ILE 308 CO -0.04 0.11 -0.18 1.56 0.00 0.00 0.00 178.15 179.60 3iq0 h GLN 309 N -0.14 -0.23 -0.77 2.37 1.08 -0.60 -1.24 115.11 115.58 3iq0 h GLN 309 Ca 0.01 0.02 0.21 0.00 -1.45 0.00 0.00 58.65 57.43 3iq0 h GLN 309 Cb 0.18 0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.62 3iq0 h GLN 309 CO -0.00 -0.15 0.54 0.00 -0.95 0.00 0.00 178.83 178.27 3iq0 h ARG 310 N -0.23 0.12 -0.00 1.46 3.08 -0.97 -3.51 114.38 114.32 3iq0 h ARG 310 Ca 0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3iq0 h ARG 310 Cb 0.37 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3iq0 h ARG 310 CO -0.25 0.08 0.00 0.72 -1.07 0.00 0.00 179.97 179.44