#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iok n ALA 3 N 0.00 -2.44 -2.75 0.00 0.00 -1.26 -4.80 120.51 109.26 1iok n ALA 3 Ca 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 53.44 53.54 1iok n ALA 3 Cb 0.00 -1.17 -0.12 0.00 0.00 0.00 0.00 19.45 18.16 1iok n ALA 3 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1iok s LYS 4 N -0.74 0.72 -0.25 0.00 1.02 -1.26 -1.99 119.74 117.24 1iok s LYS 4 Ca 0.47 -0.84 -0.05 0.00 0.02 0.00 0.00 55.97 55.57 1iok s LYS 4 Cb -0.64 -0.65 -0.01 0.00 -0.52 0.00 0.00 37.83 36.02 1iok s LYS 4 CO 0.43 0.14 0.02 -1.21 -0.92 0.00 0.00 175.35 173.81 1iok s GLU 5 N -1.55 3.32 -0.28 1.68 0.41 0.85 -4.84 118.70 118.30 1iok s GLU 5 Ca -0.04 -0.68 -0.08 0.00 -0.41 0.00 0.00 54.97 53.75 1iok s GLU 5 Cb -0.09 -3.19 -0.01 0.00 -1.78 0.00 0.00 34.13 29.06 1iok s GLU 5 CO 0.01 -0.28 0.11 0.08 -0.49 0.00 0.00 175.26 174.69 1iok s VAL 6 N 1.50 4.40 -0.12 2.63 1.01 -1.26 -1.69 120.40 126.88 1iok s VAL 6 Ca 0.05 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 1iok s VAL 6 Cb -0.15 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1iok s VAL 6 CO -0.00 0.18 0.08 -0.54 0.00 0.00 0.00 175.10 174.82 1iok s LYS 7 N 1.60 3.39 0.45 2.72 1.02 -0.09 -4.94 119.74 123.88 1iok s LYS 7 Ca 0.05 -0.25 0.06 0.00 0.02 0.00 0.00 55.97 55.85 1iok s LYS 7 Cb -0.16 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1iok s LYS 7 CO 0.05 0.67 0.14 -0.06 -0.92 0.00 0.00 175.35 175.23 1iok s PHE 8 N -0.75 2.34 0.00 3.18 0.08 -1.26 -0.50 117.98 121.08 1iok s PHE 8 Ca 0.13 -0.70 0.00 0.00 0.12 0.00 0.00 56.93 56.48 1iok s PHE 8 Cb -0.12 -1.86 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 1iok s PHE 8 CO 0.03 0.17 0.00 -1.71 -0.10 0.00 0.00 175.22 173.60 1iok n ASN 9 N -1.25 0.00 -0.29 1.36 5.15 -0.22 -2.01 115.26 117.99 1iok n ASN 9 Ca -0.05 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.00 1iok n ASN 9 Cb 0.65 0.00 0.22 0.00 -0.53 0.00 0.00 39.78 40.12 1iok n ASN 9 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1iok h SER 10 N 0.00 0.51 -0.83 1.20 4.64 -1.95 -0.62 113.55 116.50 1iok h SER 10 Ca 0.00 0.09 0.22 0.00 -0.47 0.00 0.00 61.79 61.63 1iok h SER 10 Cb 0.00 0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.06 1iok h SER 10 CO 0.00 0.22 0.58 -0.78 -0.87 0.00 0.00 176.83 175.98 1iok h ASP 11 N 0.61 0.15 0.91 4.97 -0.00 -1.91 0.45 116.42 121.59 1iok h ASP 11 Ca 0.45 0.02 -0.15 0.00 -0.00 0.00 0.00 57.03 57.35 1iok h ASP 11 Cb 0.63 -0.01 -0.02 0.00 -0.00 0.00 0.00 39.33 39.92 1iok h ASP 11 CO -0.36 0.06 -1.17 0.00 -0.00 0.00 0.00 179.24 177.77 1iok h ALA 12 N 1.61 0.65 0.06 -0.78 0.00 -0.49 -3.33 119.26 116.97 1iok h ALA 12 Ca 0.41 -0.73 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 1iok h ALA 12 Cb 1.39 0.17 0.01 0.00 0.00 0.00 0.00 17.79 19.37 1iok h ALA 12 CO -0.07 0.84 -0.38 0.00 0.00 0.00 0.00 179.25 179.64 1iok h ARG 13 N 0.00 0.16 -0.66 0.00 3.08 -0.18 -3.03 114.38 113.74 1iok h ARG 13 Ca -0.12 -0.24 0.16 0.00 0.07 0.00 0.00 59.98 59.85 1iok h ARG 13 Cb 1.53 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.63 1iok h ARG 13 CO 0.05 1.08 0.46 -0.44 -1.07 0.00 0.00 179.97 180.05 1iok h ASP 14 N -0.64 0.17 0.15 7.04 3.32 -0.46 -0.34 116.42 125.66 1iok h ASP 14 Ca -0.06 0.01 -0.25 0.00 0.02 0.00 0.00 57.03 56.75 1iok h ASP 14 Cb 1.26 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.80 1iok h ASP 14 CO 0.07 0.09 -1.00 0.03 -1.72 0.00 0.00 179.24 176.71 1iok h ARG 15 N 0.18 0.58 -0.28 3.56 3.08 -1.66 -2.48 114.38 117.36 1iok h ARG 15 Ca 0.32 -0.62 -0.04 0.00 0.07 0.00 0.00 59.98 59.71 1iok h ARG 15 Cb 1.00 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 1iok h ARG 15 CO -0.05 1.23 0.04 0.52 -1.07 0.00 0.00 179.97 180.63 1iok h MET 16 N 0.33 0.47 -0.61 0.04 2.86 -1.10 -2.22 114.93 114.70 1iok h MET 16 Ca -0.11 -0.13 0.10 0.00 -2.06 0.00 0.00 59.70 57.50 1iok h MET 16 Cb 1.64 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 33.21 1iok h MET 16 CO 0.19 0.59 0.41 1.25 1.06 0.00 0.00 176.91 180.41 1iok h LEU 17 N 0.28 0.37 -0.25 1.22 5.85 -1.12 -0.39 115.31 121.28 1iok h LEU 17 Ca 0.08 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1iok h LEU 17 Cb 0.36 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1iok h LEU 17 CO 0.01 0.22 -0.02 0.11 -0.34 0.00 0.00 178.44 178.42 1iok h LYS 18 N 0.41 0.45 0.00 1.25 1.57 -0.93 -0.84 116.57 118.48 1iok h LYS 18 Ca 0.28 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1iok h LYS 18 Cb 0.55 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1iok h LYS 18 CO -0.08 0.64 -0.36 0.78 -0.57 0.00 0.00 179.45 179.86 1iok h GLY 19 N 0.22 0.00 0.36 3.86 0.00 -0.72 -2.65 103.07 104.15 1iok h GLY 19 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.33 1iok h GLY 19 CO 0.02 0.00 -0.26 -2.08 0.00 0.00 0.00 176.54 174.21 1iok h VAL 20 N 0.00 1.61 -0.71 4.60 2.07 -1.00 -3.03 116.25 119.79 1iok h VAL 20 Ca -0.00 -2.14 0.09 0.00 0.82 0.00 0.00 66.70 65.47 1iok h VAL 20 Cb 0.78 3.00 -0.05 0.00 -1.52 0.00 0.00 31.29 33.51 1iok h VAL 20 CO 0.05 0.58 0.47 0.78 0.02 0.00 0.00 177.57 179.46 1iok h ASN 21 N -0.62 0.56 0.05 0.57 2.35 -1.09 0.28 115.58 117.67 1iok h ASN 21 Ca -0.04 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1iok h ASN 21 Cb 1.10 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1iok h ASN 21 CO 0.05 0.35 -0.02 0.40 -1.65 0.00 0.00 177.43 176.55 1iok h ILE 22 N 0.63 1.19 -0.66 2.81 2.04 -1.56 0.18 117.51 122.14 1iok h ILE 22 Ca 0.32 -0.77 0.01 0.00 1.00 0.00 0.00 64.86 65.42 1iok h ILE 22 Cb 0.43 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 1iok h ILE 22 CO -0.11 0.19 0.43 0.25 0.00 0.00 0.00 178.15 178.92 1iok h LEU 23 N -0.40 0.76 -0.39 1.44 5.85 -1.22 -1.71 115.31 119.64 1iok h LEU 23 Ca -0.01 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.51 1iok h LEU 23 Cb 0.37 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1iok h LEU 23 CO 0.01 0.55 -0.81 0.00 -0.34 0.00 0.00 178.44 177.85 1iok h ALA 24 N 1.24 0.64 0.00 1.25 0.00 -0.42 -2.91 119.26 119.06 1iok h ALA 24 Ca 0.24 -0.71 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1iok h ALA 24 Cb -0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1iok h ALA 24 CO -0.05 0.93 -0.35 -0.44 0.00 0.00 0.00 179.25 179.34 1iok h ASP 25 N 0.06 0.00 0.43 0.00 3.32 -0.37 -1.70 116.42 118.15 1iok h ASP 25 Ca -0.02 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.72 1iok h ASP 25 Cb 1.42 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.98 1iok h ASP 25 CO 0.11 0.35 -1.46 0.00 -1.72 0.00 0.00 179.24 176.52 1iok h ALA 26 N 1.65 0.10 0.14 3.45 0.00 -1.33 -3.35 119.26 119.92 1iok h ALA 26 Ca -0.00 -0.99 -0.24 0.00 0.00 0.00 0.00 54.91 53.68 1iok h ALA 26 Cb 1.09 0.20 0.03 0.00 0.00 0.00 0.00 17.79 19.10 1iok h ALA 26 CO 0.05 0.97 -1.03 0.28 0.00 0.00 0.00 179.25 179.51 1iok h VAL 27 N 0.09 1.39 0.00 0.00 2.07 -1.55 -3.34 116.25 114.92 1iok h VAL 27 Ca -0.23 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 64.81 1iok h VAL 27 Cb 2.05 2.95 0.00 0.00 -1.52 0.00 0.00 31.29 34.78 1iok h VAL 27 CO 0.20 0.73 0.00 2.29 0.02 0.00 0.00 177.57 180.81 1iok n LYS 28 N -3.97 0.04 0.23 1.57 2.85 -0.64 -1.55 118.16 116.70 1iok n LYS 28 Ca -0.14 0.38 0.15 0.00 -1.05 0.00 0.00 58.31 57.65 1iok n LYS 28 Cb 0.90 -1.60 0.47 0.00 -0.65 0.00 0.00 35.03 34.15 1iok n LYS 28 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 1iok h VAL 29 N 0.00 0.00 -2.05 0.58 -1.51 -1.69 -3.23 116.25 108.35 1iok h VAL 29 Ca 0.00 -0.66 -0.77 0.00 -1.23 0.00 0.00 66.70 64.04 1iok h VAL 29 Cb 0.18 1.64 -0.28 0.00 -2.13 0.00 0.00 31.29 30.70 1iok h VAL 29 CO 0.00 0.00 0.93 0.35 -1.23 0.00 0.00 177.57 177.62 1iok n THR 30 N -2.97 4.24 -4.86 7.19 -2.24 -0.60 -1.41 114.28 113.63 1iok n THR 30 Ca 0.02 -4.84 -0.28 0.00 -2.27 0.00 0.00 64.05 56.68 1iok n THR 30 Cb 0.39 -1.33 -0.17 0.00 -2.10 0.00 0.00 70.33 67.12 1iok n THR 30 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1iok s LEU 31 N -4.11 1.84 0.00 3.22 2.96 -1.22 -4.46 118.68 116.90 1iok s LEU 31 Ca 0.48 -0.41 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 1iok s LEU 31 Cb 0.36 -1.08 0.00 0.00 0.50 0.00 0.00 46.19 45.98 1iok s LEU 31 CO -0.32 0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 1iok n GLY 32 N 3.69 -2.87 0.25 7.98 0.00 -1.26 -4.09 105.19 108.89 1iok n GLY 32 Ca -0.21 -1.92 0.16 0.00 0.00 0.00 0.00 46.02 44.05 1iok n GLY 32 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iok h PRO 33 N 0.00 0.00 -0.80 1.61 0.13 -1.92 -3.12 132.00 127.91 1iok h PRO 33 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 1iok h PRO 33 Cb 0.00 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 30.79 1iok h PRO 33 CO 0.00 0.00 -0.13 1.63 -0.23 0.00 0.00 178.00 179.27 1iok n LYS 34 N -2.99 3.08 -1.78 0.86 4.76 -1.26 -5.01 118.16 115.82 1iok n LYS 34 Ca 0.01 -3.74 -0.35 0.00 -2.87 0.00 0.00 58.31 51.36 1iok n LYS 34 Cb 0.33 -2.23 0.06 0.00 -1.84 0.00 0.00 35.03 31.34 1iok n LYS 34 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1iok s GLY 35 N -2.84 2.59 0.23 0.72 0.00 -1.18 -4.42 107.32 102.41 1iok s GLY 35 Ca 0.55 0.96 0.06 0.00 0.00 0.00 0.00 44.72 46.29 1iok s GLY 35 CO 0.02 1.36 0.25 0.50 0.00 0.00 0.00 173.10 175.23 1iok s ARG 36 N -3.58 3.15 0.64 2.90 3.00 -0.50 -4.95 118.95 119.60 1iok s ARG 36 Ca 0.76 -0.89 -0.08 0.00 0.00 0.00 0.00 55.73 55.52 1iok s ARG 36 Cb -0.30 -2.72 0.01 0.00 0.00 0.00 0.00 34.95 31.94 1iok s ARG 36 CO 0.38 0.43 0.98 -0.80 0.00 0.00 0.00 175.30 176.29 1iok s ASN 37 N -3.74 5.51 -0.19 0.23 0.01 -1.26 -4.14 114.94 111.36 1iok s ASN 37 Ca 0.33 0.86 -0.02 0.00 -0.71 0.00 0.00 52.86 53.32 1iok s ASN 37 Cb -0.09 -1.77 0.06 0.00 0.41 0.00 0.00 41.25 39.86 1iok s ASN 37 CO 0.26 -1.18 0.00 -0.69 -1.51 0.00 0.00 177.10 173.99 1iok s VAL 38 N -3.13 0.81 0.01 1.60 1.01 0.88 -4.97 120.40 116.61 1iok s VAL 38 Ca 0.56 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 1iok s VAL 38 Cb -0.11 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 1iok s VAL 38 CO 0.47 -0.13 0.97 -0.69 0.00 0.00 0.00 175.10 175.72 1iok s VAL 39 N 1.73 4.85 -0.21 2.92 1.01 -1.26 -2.22 120.40 127.22 1iok s VAL 39 Ca -0.02 2.03 0.00 0.00 0.00 0.00 0.00 61.98 64.00 1iok s VAL 39 Cb -0.17 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 31.93 1iok s VAL 39 CO -0.07 0.18 -0.14 -0.63 0.00 0.00 0.00 175.10 174.44 1iok s ILE 40 N 0.92 2.41 0.06 2.22 1.01 0.15 -4.96 121.20 123.01 1iok s ILE 40 Ca 0.51 -1.03 -0.31 0.00 0.00 0.00 0.00 60.65 59.82 1iok s ILE 40 Cb -0.21 -2.14 -0.10 0.00 0.01 0.00 0.00 42.46 40.01 1iok s ILE 40 CO 0.28 0.35 1.88 -0.67 0.00 0.00 0.00 174.94 176.78 1iok n ASP 41 N 4.62 3.94 -4.65 3.58 2.03 -1.26 -0.70 116.55 124.11 1iok n ASP 41 Ca -0.18 0.96 -0.35 0.00 0.52 0.00 0.00 54.79 55.73 1iok n ASP 41 Cb 0.48 -1.50 -0.09 0.00 -0.72 0.00 0.00 41.12 39.28 1iok n ASP 41 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1iok s LYS 42 N 3.49 4.03 0.00 -0.67 -0.14 -1.26 -4.88 119.74 120.31 1iok s LYS 42 Ca 0.86 -0.30 0.00 0.00 -1.36 0.00 0.00 55.97 55.17 1iok s LYS 42 Cb -0.51 -3.38 0.00 0.00 -1.68 0.00 0.00 37.83 32.26 1iok s LYS 42 CO 0.42 0.17 0.68 0.43 -0.76 0.00 0.00 175.35 176.29 1iok n SER 43 N 3.90 0.00 -3.51 2.83 7.64 -1.26 -4.31 113.62 118.90 1iok n SER 43 Ca -0.16 0.23 -0.06 0.00 1.01 0.00 0.00 58.87 59.89 1iok n SER 43 Cb 0.52 -0.23 -0.07 0.00 -1.01 0.00 0.00 64.21 63.42 1iok n SER 43 CO 0.00 0.00 0.00 0.72 -3.01 0.00 0.00 175.04 172.75 1iok s PHE 44 N -2.36 -1.01 0.00 1.43 -0.12 -1.26 -5.12 117.98 109.54 1iok s PHE 44 Ca 0.00 1.52 0.00 0.00 -0.05 0.00 0.00 56.93 58.40 1iok s PHE 44 Cb 0.00 0.36 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 1iok s PHE 44 CO 0.00 -0.62 0.00 0.41 -0.05 0.00 0.00 175.22 174.96 1iok n GLY 45 N 5.40 0.56 3.90 1.99 0.00 -1.26 -4.95 105.19 110.83 1iok n GLY 45 Ca -0.07 -1.58 -0.28 0.00 0.00 0.00 0.00 46.02 44.09 1iok n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iok s ALA 46 N -1.93 3.54 0.69 4.61 0.00 -1.26 -4.88 121.76 122.53 1iok s ALA 46 Ca 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 1iok s ALA 46 Cb 0.00 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.73 1iok s ALA 46 CO 0.00 0.04 1.13 -1.25 0.00 0.00 0.00 175.76 175.68 1iok s PRO 47 N -3.94 2.58 -0.24 0.00 0.04 -1.26 -4.52 135.00 127.66 1iok s PRO 47 Ca 0.45 1.44 -0.22 0.00 0.04 0.00 0.00 61.00 62.71 1iok s PRO 47 Cb -0.10 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1iok s PRO 47 CO 0.34 -1.43 0.69 0.50 0.04 0.00 0.00 177.00 177.14 1iok s ARG 48 N -4.16 4.16 -0.27 4.56 3.52 0.13 -4.87 118.95 122.02 1iok s ARG 48 Ca 0.68 0.69 -0.13 0.00 -0.13 0.00 0.00 55.73 56.84 1iok s ARG 48 Cb -0.22 -3.63 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 1iok s ARG 48 CO 0.44 -0.40 0.27 0.42 -0.81 0.00 0.00 175.30 175.22 1iok s ILE 49 N 2.45 5.25 0.11 4.11 1.01 -1.26 0.32 121.20 133.19 1iok s ILE 49 Ca 0.29 0.35 0.01 0.00 0.00 0.00 0.00 60.65 61.30 1iok s ILE 49 Cb -0.16 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1iok s ILE 49 CO 0.09 0.22 -0.03 0.28 0.00 0.00 0.00 174.94 175.49 1iok s THR 50 N 1.84 0.56 0.00 2.92 -1.32 -0.94 -4.96 115.64 113.74 1iok s THR 50 Ca 0.11 -1.92 0.00 0.00 -1.21 0.00 0.00 61.69 58.66 1iok s THR 50 Cb -0.16 -1.79 0.00 0.00 -1.51 0.00 0.00 72.50 69.05 1iok s THR 50 CO 0.10 -0.77 0.02 0.29 -2.21 0.00 0.00 174.62 172.05 1iok n LYS 51 N -0.07 4.01 -2.23 7.08 5.02 -1.26 -0.08 118.16 130.64 1iok n LYS 51 Ca -0.11 -0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.77 1iok n LYS 51 Cb 0.62 -0.33 -0.03 0.00 -0.02 0.00 0.00 35.03 35.26 1iok n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1iok s ASP 52 N -0.58 5.62 0.00 4.39 2.15 -1.26 -4.73 116.67 122.26 1iok s ASP 52 Ca 0.00 0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.05 1iok s ASP 52 Cb 0.00 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1iok s ASP 52 CO 0.00 -2.16 0.77 0.61 -0.17 0.00 0.00 175.17 174.22 1iok n GLY 53 N 5.57 -0.29 0.08 2.66 0.00 -1.26 -1.30 105.19 110.64 1iok n GLY 53 Ca 0.14 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 1iok n GLY 53 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iok h VAL 54 N 0.00 1.03 0.00 1.61 2.07 -1.95 -3.13 116.25 115.87 1iok h VAL 54 Ca 0.00 -2.84 -0.09 0.00 0.82 0.00 0.00 66.70 64.59 1iok h VAL 54 Cb 0.20 2.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1iok h VAL 54 CO 0.00 0.61 -0.43 0.28 0.02 0.00 0.00 177.57 178.04 1iok h SER 55 N 0.00 0.00 0.07 0.57 0.02 -1.61 -3.16 113.55 109.45 1iok h SER 55 Ca -0.23 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1iok h SER 55 Cb 1.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.51 1iok h SER 55 CO 0.09 0.43 -0.04 0.58 -1.14 0.00 0.00 176.83 176.76 1iok h VAL 56 N 0.00 1.20 -1.03 2.27 2.07 -1.65 -3.17 116.25 115.95 1iok h VAL 56 Ca -0.00 -1.36 0.25 0.00 0.82 0.00 0.00 66.70 66.41 1iok h VAL 56 Cb 1.16 2.03 -0.10 0.00 -1.52 0.00 0.00 31.29 32.86 1iok h VAL 56 CO 0.06 0.32 0.64 0.00 0.02 0.00 0.00 177.57 178.61 1iok h ALA 57 N 0.03 2.06 -0.27 1.67 0.00 -1.57 -0.02 119.26 121.17 1iok h ALA 57 Ca -0.01 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1iok h ALA 57 Cb 0.59 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1iok h ALA 57 CO 0.02 -0.49 -0.38 0.87 0.00 0.00 0.00 179.25 179.28 1iok h LYS 58 N 0.48 0.61 0.00 0.00 1.57 -1.60 -3.00 116.57 114.63 1iok h LYS 58 Ca 0.61 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1iok h LYS 58 Cb 1.38 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.69 1iok h LYS 58 CO -0.35 0.89 0.00 0.93 -0.57 0.00 0.00 179.45 180.35 1iok h GLU 59 N 0.51 0.00 -6.27 3.15 4.39 -0.97 -3.44 114.58 111.95 1iok h GLU 59 Ca 0.05 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.18 1iok h GLU 59 Cb 0.88 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.47 1iok h GLU 59 CO 0.08 0.00 0.86 0.42 -1.16 0.00 0.00 179.01 179.21 1iok s ILE 60 N -3.43 4.47 -0.32 3.13 -1.09 -1.09 -4.95 121.20 117.92 1iok s ILE 60 Ca 0.03 1.70 0.03 0.00 -2.23 0.00 0.00 60.65 60.19 1iok s ILE 60 Cb 0.09 -4.34 0.16 0.00 -1.58 0.00 0.00 42.46 36.79 1iok s ILE 60 CO 0.46 -0.41 0.42 -0.70 -1.23 0.00 0.00 174.94 173.47 1iok s GLU 61 N 3.65 0.50 0.53 2.79 2.12 -1.26 -4.92 118.70 122.11 1iok s GLU 61 Ca 0.47 -0.15 -0.19 0.00 0.36 0.00 0.00 54.97 55.46 1iok s GLU 61 Cb -0.14 -0.38 -0.06 0.00 0.26 0.00 0.00 34.13 33.81 1iok s GLU 61 CO 0.15 -1.09 1.06 -0.51 -0.54 0.00 0.00 175.26 174.33 1iok s LEU 62 N 2.21 3.71 0.04 2.70 1.43 -1.26 -5.00 118.68 122.51 1iok s LEU 62 Ca 0.12 1.94 -0.17 0.00 -1.03 0.00 0.00 54.13 54.99 1iok s LEU 62 Cb -0.12 -4.56 -0.22 0.00 0.03 0.00 0.00 46.19 41.32 1iok s LEU 62 CO -0.22 -1.00 1.15 0.77 0.23 0.00 0.00 176.35 177.29 1iok h SER 63 N 1.12 0.68 -2.43 2.29 4.64 -2.00 -3.42 113.55 114.43 1iok h SER 63 Ca -0.49 -0.73 -0.58 0.00 -0.47 0.00 0.00 61.79 59.52 1iok h SER 63 Cb 1.23 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1iok h SER 63 CO 0.58 1.32 1.35 -0.62 -0.87 0.00 0.00 176.83 178.59 1iok s ASP 64 N -6.93 5.74 0.22 4.97 -1.08 -1.26 -4.88 116.67 113.46 1iok s ASP 64 Ca -0.12 1.52 -0.01 0.00 -0.52 0.00 0.00 52.55 53.43 1iok s ASP 64 Cb 0.05 -2.52 0.50 0.00 -1.46 0.00 0.00 42.92 39.49 1iok s ASP 64 CO 0.86 -1.79 1.17 0.29 0.52 0.00 0.00 175.17 176.22 1iok n LYS 65 N 8.54 -0.06 0.06 4.34 4.76 -1.26 -0.91 118.16 133.62 1iok n LYS 65 Ca 0.25 1.13 -0.12 0.00 -2.87 0.00 0.00 58.31 56.71 1iok n LYS 65 Cb 0.46 -1.77 -0.08 0.00 -1.84 0.00 0.00 35.03 31.80 1iok n LYS 65 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1iok h PHE 66 N 0.00 -0.19 -0.94 2.13 0.04 -1.94 -2.59 116.94 113.44 1iok h PHE 66 Ca 0.42 -0.00 0.17 0.00 2.80 0.00 0.00 57.97 61.36 1iok h PHE 66 Cb 0.81 0.06 -0.08 0.00 2.20 0.00 0.00 35.95 38.94 1iok h PHE 66 CO -0.44 0.25 0.60 0.93 -0.60 0.00 0.00 178.31 179.05 1iok h GLU 67 N -0.77 0.66 -0.25 1.51 5.08 -1.28 0.32 114.58 119.86 1iok h GLU 67 Ca -0.02 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1iok h GLU 67 Cb 0.53 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1iok h GLU 67 CO 0.03 0.44 -0.20 -0.97 -1.00 0.00 0.00 179.01 177.32 1iok h ASN 68 N 0.68 0.43 -0.68 1.42 -0.73 -1.00 -2.78 115.58 112.92 1iok h ASN 68 Ca 0.50 -0.13 -0.05 0.00 1.87 0.00 0.00 56.30 58.49 1iok h ASN 68 Cb 0.86 -0.12 -0.03 0.00 0.27 0.00 0.00 38.32 39.31 1iok h ASN 68 CO -0.26 0.64 0.21 0.24 -0.37 0.00 0.00 177.43 177.90 1iok h MET 69 N 0.40 1.06 -0.12 6.67 2.86 -0.52 0.59 114.93 125.86 1iok h MET 69 Ca 0.07 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1iok h MET 69 Cb 0.57 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1iok h MET 69 CO 0.04 0.92 0.05 0.78 1.06 0.00 0.00 176.91 179.76 1iok h GLY 70 N 0.99 0.15 0.67 8.32 0.00 -1.25 -1.90 103.07 110.06 1iok h GLY 70 Ca 0.22 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1iok h GLY 70 CO -0.01 0.03 -0.00 0.00 0.00 0.00 0.00 176.54 176.56 1iok h ALA 71 N 1.07 0.01 -1.00 3.60 0.00 -1.22 -3.02 119.26 118.70 1iok h ALA 71 Ca 0.05 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.98 1iok h ALA 71 Cb 0.02 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.70 1iok h ALA 71 CO -0.04 -0.32 0.61 1.96 0.00 0.00 0.00 179.25 181.46 1iok h GLN 72 N -0.32 0.75 0.00 0.00 7.50 0.30 0.16 115.11 123.50 1iok h GLN 72 Ca 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1iok h GLN 72 Cb 0.34 -0.17 0.00 0.00 0.05 0.00 0.00 27.48 27.70 1iok h GLN 72 CO 0.00 0.49 0.00 -1.33 -1.50 0.00 0.00 178.83 176.49 1iok n MET 73 N -4.75 0.00 -0.30 1.46 2.81 -0.73 -1.54 117.12 114.07 1iok n MET 73 Ca 0.23 0.44 0.02 0.00 -1.81 0.00 0.00 57.70 56.58 1iok n MET 73 Cb 0.57 -1.29 0.09 0.00 -0.71 0.00 0.00 33.22 31.87 1iok n MET 73 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1iok h VAL 74 N 0.00 0.12 -0.22 2.03 2.07 -1.45 0.63 116.25 119.43 1iok h VAL 74 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1iok h VAL 74 Cb 0.00 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1iok h VAL 74 CO 0.00 0.00 0.16 -0.09 0.02 0.00 0.00 177.57 177.66 1iok h ARG 75 N -0.02 0.01 0.09 1.57 9.65 -1.02 -0.89 114.38 123.77 1iok h ARG 75 Ca 0.38 -0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 59.25 1iok h ARG 75 Cb 0.61 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 1iok h ARG 75 CO -0.88 0.00 -0.04 1.49 2.80 0.00 0.00 179.97 183.34 1iok h GLU 76 N 0.01 -0.12 0.93 0.20 4.57 0.13 -3.06 114.58 117.24 1iok h GLU 76 Ca 0.10 0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.25 1iok h GLU 76 Cb 0.41 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1iok h GLU 76 CO -0.00 0.41 -0.46 0.28 -1.18 0.00 0.00 179.01 178.05 1iok h VAL 77 N -0.85 0.05 0.00 0.32 2.07 -1.12 -1.79 116.25 114.94 1iok h VAL 77 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1iok h VAL 77 Cb 0.58 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1iok h VAL 77 CO 0.02 0.00 0.39 0.00 0.02 0.00 0.00 177.57 178.00 1iok h ALA 78 N -1.20 1.33 0.00 1.67 0.00 -1.32 0.84 119.26 120.57 1iok h ALA 78 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 1iok h ALA 78 Cb 0.98 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1iok h ALA 78 CO 0.20 -0.33 -0.47 0.66 0.00 0.00 0.00 179.25 179.30 1iok h SER 79 N 0.00 0.00 1.41 0.00 4.64 -1.21 -3.04 113.55 115.35 1iok h SER 79 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1iok h SER 79 Cb 0.77 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1iok h SER 79 CO 0.00 0.42 -0.11 0.03 -0.87 0.00 0.00 176.83 176.29 1iok h ARG 80 N 0.00 0.00 0.00 4.77 3.08 0.83 -2.17 114.38 120.89 1iok h ARG 80 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1iok h ARG 80 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.38 1iok h ARG 80 CO 0.05 0.11 0.00 2.41 -1.07 0.00 0.00 179.97 181.48 1iok n THR 81 N -3.18 1.12 -0.10 2.04 -1.04 -1.15 -0.72 114.28 111.25 1iok n THR 81 Ca 0.02 0.28 0.05 0.00 -2.04 0.00 0.00 64.05 62.36 1iok n THR 81 Cb 0.47 -1.08 0.26 0.00 -1.82 0.00 0.00 70.33 68.16 1iok n THR 81 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1iok n ASN 82 N -1.47 3.81 0.20 8.00 5.15 -0.82 -3.93 115.26 126.21 1iok n ASN 82 Ca 0.03 -2.47 0.06 0.00 -0.60 0.00 0.00 54.58 51.60 1iok n ASN 82 Cb 0.13 -0.55 0.41 0.00 -0.53 0.00 0.00 39.78 39.23 1iok n ASN 82 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 1iok h ASP 83 N 2.73 0.00 -0.43 1.20 3.58 -1.11 -1.71 116.42 120.69 1iok h ASP 83 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1iok h ASP 83 Cb 1.29 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 1iok h ASP 83 CO 0.25 0.33 0.00 -1.84 -2.88 0.00 0.00 179.24 175.10 1iok n GLU 84 N -3.64 2.93 -3.08 0.28 0.00 -1.25 -5.04 120.64 110.83 1iok n GLU 84 Ca -0.01 -2.31 -0.00 0.00 0.00 0.00 0.00 57.16 54.84 1iok n GLU 84 Cb 0.45 -1.43 -0.00 0.00 0.00 0.00 0.00 31.44 30.45 1iok n GLU 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1iok n ALA 85 N 0.65 -1.78 -3.80 -1.84 0.00 -0.64 -4.79 120.51 108.31 1iok n ALA 85 Ca 0.16 0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.84 1iok n ALA 85 Cb 0.55 -0.78 0.02 0.00 0.00 0.00 0.00 19.45 19.23 1iok n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iok n GLY 86 N 1.80 0.69 0.22 0.00 0.00 -1.26 -4.74 105.19 101.90 1iok n GLY 86 Ca -0.02 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1iok n GLY 86 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1iok n ASP 87 N -1.24 0.11 -0.10 1.61 9.92 -1.26 -3.46 116.55 122.13 1iok n ASP 87 Ca -0.02 -0.50 -0.10 0.00 -0.53 0.00 0.00 54.79 53.64 1iok n ASP 87 Cb 0.52 -0.06 -0.03 0.00 -0.64 0.00 0.00 41.12 40.92 1iok n ASP 87 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1iok h GLY 88 N 1.72 0.51 0.05 0.44 0.00 -1.85 -2.20 103.07 101.74 1iok h GLY 88 Ca 0.00 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.08 1iok h GLY 88 CO 0.00 0.28 -0.39 -0.84 0.00 0.00 0.00 176.54 175.59 1iok h THR 89 N 0.34 0.19 -0.33 4.70 2.02 -1.66 1.29 112.91 119.46 1iok h THR 89 Ca 0.10 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 1iok h THR 89 Cb 0.23 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 1iok h THR 89 CO -0.00 0.00 0.09 0.74 0.37 0.00 0.00 175.52 176.72 1iok h THR 90 N -0.46 1.15 0.05 3.16 2.02 -1.84 -1.42 112.91 115.58 1iok h THR 90 Ca 0.09 -0.53 -0.28 0.00 0.77 0.00 0.00 66.41 66.46 1iok h THR 90 Cb 0.60 0.81 0.02 0.00 -1.74 0.00 0.00 68.15 67.84 1iok h THR 90 CO -0.39 0.19 -1.12 0.74 0.37 0.00 0.00 175.52 175.31 1iok h THR 91 N 0.47 1.28 -0.65 3.16 2.02 -0.55 -0.90 112.91 117.74 1iok h THR 91 Ca 0.11 -2.33 0.06 0.00 0.77 0.00 0.00 66.41 65.02 1iok h THR 91 Cb 0.17 2.52 -0.06 0.00 -1.74 0.00 0.00 68.15 69.05 1iok h THR 91 CO -0.01 0.72 0.35 0.00 0.37 0.00 0.00 175.52 176.95 1iok h ALA 92 N 0.35 0.86 0.41 6.16 0.00 0.19 0.80 119.26 128.03 1iok h ALA 92 Ca -0.15 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1iok h ALA 92 Cb 1.78 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1iok h ALA 92 CO 0.22 0.01 -0.20 1.15 0.00 0.00 0.00 179.25 180.43 1iok h THR 93 N 0.64 0.57 -0.42 0.00 2.02 -1.24 0.89 112.91 115.37 1iok h THR 93 Ca 0.29 -0.34 0.08 0.00 0.77 0.00 0.00 66.41 67.22 1iok h THR 93 Cb 0.20 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1iok h THR 93 CO -0.19 0.06 0.29 0.58 0.37 0.00 0.00 175.52 176.63 1iok h VAL 94 N -0.76 0.89 0.07 3.16 2.07 -0.88 -1.38 116.25 119.41 1iok h VAL 94 Ca -0.06 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1iok h VAL 94 Cb 0.53 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1iok h VAL 94 CO 0.09 0.04 -0.03 -0.07 0.02 0.00 0.00 177.57 177.61 1iok h LEU 95 N 0.20 -0.08 -0.59 2.57 3.38 -0.63 -3.14 115.31 117.02 1iok h LEU 95 Ca 0.19 -0.53 0.12 0.00 0.09 0.00 0.00 57.88 57.75 1iok h LEU 95 Cb 0.51 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.19 1iok h LEU 95 CO -0.03 0.56 0.01 0.00 0.09 0.00 0.00 178.44 179.07 1iok h ALA 96 N -0.04 0.58 -0.94 1.53 0.00 -0.38 0.44 119.26 120.45 1iok h ALA 96 Ca -0.01 0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1iok h ALA 96 Cb 0.61 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 1iok h ALA 96 CO 0.02 -0.39 0.60 0.37 0.00 0.00 0.00 179.25 179.85 1iok h GLN 97 N 0.13 0.89 -0.01 0.00 4.15 -1.35 -0.91 115.11 118.01 1iok h GLN 97 Ca 0.31 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 1iok h GLN 97 Cb 0.49 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 1iok h GLN 97 CO -0.50 0.59 -0.01 0.00 -1.93 0.00 0.00 178.83 176.98 1iok h ALA 98 N 1.55 0.02 0.21 3.38 0.00 -0.89 -1.98 119.26 121.54 1iok h ALA 98 Ca 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1iok h ALA 98 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1iok h ALA 98 CO -0.21 -0.22 -0.10 0.82 0.00 0.00 0.00 179.25 179.54 1iok h ILE 99 N -0.45 0.81 -0.33 0.00 2.04 -1.04 -2.58 117.51 115.96 1iok h ILE 99 Ca 0.00 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.82 1iok h ILE 99 Cb 0.51 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 1iok h ILE 99 CO 0.00 0.02 0.07 0.58 0.00 0.00 0.00 178.15 178.83 1iok h VAL 100 N -0.33 0.85 -0.61 1.67 2.07 -1.26 0.30 116.25 118.94 1iok h VAL 100 Ca -0.03 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.55 1iok h VAL 100 Cb 0.25 0.64 -0.10 0.00 -1.52 0.00 0.00 31.29 30.56 1iok h VAL 100 CO 0.05 0.03 0.07 -0.09 0.02 0.00 0.00 177.57 177.65 1iok h ARG 101 N 0.19 0.18 -0.04 1.57 2.43 -1.26 -1.35 114.38 116.09 1iok h ARG 101 Ca 0.15 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 59.07 1iok h ARG 101 Cb 0.16 -0.04 0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1iok h ARG 101 CO -0.20 0.12 -0.93 0.93 -1.51 0.00 0.00 179.97 178.38 1iok h GLU 102 N 0.19 0.70 0.64 0.20 4.39 -1.02 -2.94 114.58 116.74 1iok h GLU 102 Ca 0.33 -0.70 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 1iok h GLU 102 Cb 0.52 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1iok h GLU 102 CO -0.47 1.29 -0.49 0.78 -1.16 0.00 0.00 179.01 178.96 1iok h GLY 103 N 0.39 -1.30 0.57 -3.84 0.00 0.08 -0.59 103.07 98.39 1iok h GLY 103 Ca -0.10 0.56 0.10 0.00 0.00 0.00 0.00 47.33 47.89 1iok h GLY 103 CO 0.19 -0.41 0.63 1.41 0.00 0.00 0.00 176.54 178.36 1iok h LEU 104 N -1.09 0.96 -0.39 3.11 3.38 -1.40 0.38 115.31 120.26 1iok h LEU 104 Ca -0.08 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1iok h LEU 104 Cb 0.90 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 1iok h LEU 104 CO 0.02 0.55 -0.05 0.11 0.09 0.00 0.00 178.44 179.16 1iok h LYS 105 N 1.06 0.04 0.54 1.13 1.57 -1.27 0.21 116.57 119.86 1iok h LYS 105 Ca 0.47 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.22 1iok h LYS 105 Cb 0.36 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.67 1iok h LYS 105 CO -0.23 0.03 -0.26 0.00 -0.57 0.00 0.00 179.45 178.42 1iok h ALA 106 N 1.37 -0.73 -0.87 3.86 0.00 0.76 -2.64 119.26 121.02 1iok h ALA 106 Ca 0.19 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.10 1iok h ALA 106 Cb 0.28 0.28 -0.16 0.00 0.00 0.00 0.00 17.79 18.19 1iok h ALA 106 CO -0.37 -0.85 -0.15 0.28 0.00 0.00 0.00 179.25 178.16 1iok h VAL 107 N -0.85 0.14 -1.01 0.00 2.07 0.24 1.11 116.25 117.96 1iok h VAL 107 Ca -0.07 -0.01 0.15 0.00 0.82 0.00 0.00 66.70 67.59 1iok h VAL 107 Cb 0.61 0.13 -0.09 0.00 -1.52 0.00 0.00 31.29 30.41 1iok h VAL 107 CO 0.12 0.00 0.63 0.00 0.02 0.00 0.00 177.57 178.34 1iok h ALA 108 N 1.86 1.59 0.00 1.67 0.00 -0.37 0.30 119.26 124.30 1iok h ALA 108 Ca 0.44 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1iok h ALA 108 Cb 0.73 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1iok h ALA 108 CO -0.87 0.11 0.00 0.00 0.00 0.00 0.00 179.25 178.49 1iok n ALA 109 N -2.34 2.28 0.00 0.00 0.00 0.38 -4.85 120.51 115.97 1iok n ALA 109 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1iok n ALA 109 Cb 0.45 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1iok n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iok n GLY 110 N 0.31 2.92 3.57 0.00 0.00 0.10 -5.07 105.19 107.03 1iok n GLY 110 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1iok n GLY 110 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1iok n MET 111 N -1.10 1.18 -2.33 1.61 2.00 -1.20 -4.86 117.12 112.42 1iok n MET 111 Ca 0.00 0.42 -0.42 0.00 0.00 0.00 0.00 57.70 57.70 1iok n MET 111 Cb 0.00 -1.87 -0.03 0.00 0.00 0.00 0.00 33.22 31.32 1iok n MET 111 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 1iok s ASN 112 N -0.74 6.92 0.17 7.83 3.84 -1.26 -4.42 114.94 127.28 1iok s ASN 112 Ca 0.62 1.92 -0.14 0.00 0.21 0.00 0.00 52.86 55.46 1iok s ASN 112 Cb -0.61 -2.55 0.08 0.00 -0.55 0.00 0.00 41.25 37.62 1iok s ASN 112 CO 0.58 -0.71 1.81 1.55 -2.79 0.00 0.00 177.10 177.53 1iok h PRO 113 N 8.01 0.54 -0.85 0.43 0.13 -1.89 -1.86 132.00 136.51 1iok h PRO 113 Ca -0.34 -0.03 0.10 0.00 -0.87 0.00 0.00 66.00 64.86 1iok h PRO 113 Cb 1.15 -0.12 -0.08 0.00 0.13 0.00 0.00 31.00 32.08 1iok h PRO 113 CO 0.92 0.36 0.49 0.52 -0.23 0.00 0.00 178.00 180.06 1iok h MET 114 N 0.55 0.79 0.08 0.86 2.86 -1.91 0.27 114.93 118.42 1iok h MET 114 Ca 0.19 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1iok h MET 114 Cb 0.03 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1iok h MET 114 CO -0.09 0.52 -0.04 -0.44 1.06 0.00 0.00 176.91 177.92 1iok h ASP 115 N 0.81 -0.09 -0.73 1.22 3.32 -1.84 -1.77 116.42 117.34 1iok h ASP 115 Ca 0.41 -0.26 0.13 0.00 0.02 0.00 0.00 57.03 57.33 1iok h ASP 115 Cb 0.39 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.88 1iok h ASP 115 CO -0.26 0.22 0.28 -0.07 -1.72 0.00 0.00 179.24 177.70 1iok h LEU 116 N -0.40 0.27 -1.88 1.55 3.38 -0.69 0.82 115.31 118.36 1iok h LEU 116 Ca -0.01 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.10 1iok h LEU 116 Cb 0.34 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1iok h LEU 116 CO 0.02 0.11 0.16 0.50 0.09 0.00 0.00 178.44 179.31 1iok h LYS 117 N 0.44 0.16 0.16 1.13 3.11 -0.25 0.11 116.57 121.43 1iok h LYS 117 Ca 0.39 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 58.22 1iok h LYS 117 Cb 0.57 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.77 1iok h LYS 117 CO -0.39 0.10 -0.08 -0.09 -2.81 0.00 0.00 179.45 176.19 1iok h ARG 118 N 0.16 -0.21 -0.15 1.90 9.65 0.14 -1.70 114.38 124.17 1iok h ARG 118 Ca 0.10 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.04 1iok h ARG 118 Cb 0.19 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.81 1iok h ARG 118 CO -0.02 0.16 0.22 0.78 2.80 0.00 0.00 179.97 183.91 1iok h GLY 119 N -0.95 0.00 1.08 2.80 0.00 -0.42 0.13 103.07 105.71 1iok h GLY 119 Ca -0.02 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.04 1iok h GLY 119 CO 0.04 0.00 -1.15 -2.22 0.00 0.00 0.00 176.54 173.21 1iok h ILE 120 N 0.00 1.34 -0.49 2.60 2.04 -0.75 -2.97 117.51 119.28 1iok h ILE 120 Ca 0.07 -2.48 -0.08 0.00 1.00 0.00 0.00 64.86 63.37 1iok h ILE 120 Cb 0.52 2.86 -0.02 0.00 -0.74 0.00 0.00 36.82 39.44 1iok h ILE 120 CO -0.00 0.74 -0.01 0.44 0.00 0.00 0.00 178.15 179.32 1iok h ASP 121 N 0.08 0.85 0.01 1.72 3.32 0.14 -2.49 116.42 120.06 1iok h ASP 121 Ca -0.18 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 1iok h ASP 121 Cb 1.86 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 41.18 1iok h ASP 121 CO 0.22 0.96 -0.01 0.58 -1.72 0.00 0.00 179.24 179.27 1iok h VAL 122 N 0.72 0.00 -1.23 -1.35 2.07 -1.19 -2.26 116.25 113.01 1iok h VAL 122 Ca 0.14 -0.00 0.43 0.00 0.82 0.00 0.00 66.70 68.09 1iok h VAL 122 Cb 0.53 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.15 1iok h VAL 122 CO 0.03 0.00 0.76 0.00 0.02 0.00 0.00 177.57 178.38 1iok h ALA 123 N -1.99 2.55 -0.17 1.67 0.00 -1.61 0.39 119.26 120.10 1iok h ALA 123 Ca -0.00 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1iok h ALA 123 Cb 0.01 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1iok h ALA 123 CO 0.00 -1.23 -0.02 1.15 0.00 0.00 0.00 179.25 179.15 1iok h THR 124 N 0.07 1.27 -0.75 0.00 2.02 -1.31 -2.62 112.91 111.59 1iok h THR 124 Ca 0.83 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 67.09 1iok h THR 124 Cb 2.47 1.55 -0.04 0.00 -1.74 0.00 0.00 68.15 70.39 1iok h THR 124 CO -0.53 0.28 0.48 0.00 0.37 0.00 0.00 175.52 176.12 1iok h ALA 125 N 0.74 0.98 -0.41 6.16 0.00 0.36 0.26 119.26 127.36 1iok h ALA 125 Ca 0.05 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1iok h ALA 125 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1iok h ALA 125 CO 0.01 0.29 0.28 0.87 0.00 0.00 0.00 179.25 180.70 1iok h LYS 126 N 0.94 0.37 0.15 0.00 1.79 -1.27 -1.97 116.57 116.59 1iok h LYS 126 Ca 0.30 -0.02 -0.34 0.00 -2.18 0.00 0.00 60.65 58.41 1iok h LYS 126 Cb -0.01 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1iok h LYS 126 CO -0.10 0.25 -1.73 0.28 -1.08 0.00 0.00 179.45 177.06 1iok h VAL 127 N 0.39 0.88 0.00 0.50 2.07 -0.96 -2.17 116.25 116.95 1iok h VAL 127 Ca 0.17 -2.44 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1iok h VAL 127 Cb 0.21 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1iok h VAL 127 CO -0.04 0.83 0.10 0.58 0.02 0.00 0.00 177.57 179.05 1iok h VAL 128 N -0.01 0.00 0.00 2.57 2.07 -0.22 -1.20 116.25 119.46 1iok h VAL 128 Ca -0.36 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.99 1iok h VAL 128 Cb 1.99 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 1iok h VAL 128 CO 0.12 0.00 -1.22 1.21 0.02 0.00 0.00 177.57 177.70 1iok n GLU 129 N -2.74 0.53 0.17 1.57 2.13 -0.76 -3.86 120.64 117.67 1iok n GLU 129 Ca -0.02 0.47 0.08 0.00 0.66 0.00 0.00 57.16 58.35 1iok n GLU 129 Cb 0.15 -1.65 0.44 0.00 0.27 0.00 0.00 31.44 30.64 1iok n GLU 129 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1iok n ALA 130 N -3.74 0.75 -0.06 4.31 0.00 -0.82 -1.15 120.51 119.80 1iok n ALA 130 Ca -0.26 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.27 1iok n ALA 130 Cb 0.57 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 19.03 1iok n ALA 130 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1iok h ILE 131 N 0.00 0.48 -0.51 0.00 2.04 -1.40 -3.36 117.51 114.76 1iok h ILE 131 Ca 0.00 -1.40 0.10 0.00 1.00 0.00 0.00 64.86 64.56 1iok h ILE 131 Cb 0.42 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.36 1iok h ILE 131 CO 0.00 0.16 -0.01 0.11 0.00 0.00 0.00 178.15 178.41 1iok h LYS 132 N -1.00 0.10 -2.24 2.37 1.79 -1.24 -1.07 116.57 115.28 1iok h LYS 132 Ca -0.03 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.36 1iok h LYS 132 Cb 0.42 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 1iok h LYS 132 CO -0.02 0.06 -0.04 -1.13 -1.08 0.00 0.00 179.45 177.24 1iok n SER 133 N -5.25 3.36 0.00 0.86 3.41 -0.38 -1.63 113.62 113.99 1iok n SER 133 Ca 0.06 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 1iok n SER 133 Cb 0.28 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1iok n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1iok n ALA 134 N 2.34 0.26 -2.67 7.33 0.00 -0.42 -4.94 120.51 122.41 1iok n ALA 134 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 1iok n ALA 134 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 1iok n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iok s ALA 135 N 0.00 3.57 0.18 0.00 0.00 -0.65 -4.89 121.76 119.98 1iok s ALA 135 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 1iok s ALA 135 Cb 0.00 -2.54 -0.08 0.00 0.00 0.00 0.00 23.12 20.49 1iok s ALA 135 CO 0.00 -0.25 1.30 1.03 0.00 0.00 0.00 175.76 177.84 1iok s ARG 136 N 1.20 4.39 0.78 0.00 0.52 -0.30 -4.69 118.95 120.86 1iok s ARG 136 Ca 0.16 2.02 -0.11 0.00 -0.52 0.00 0.00 55.73 57.28 1iok s ARG 136 Cb -0.14 -3.21 0.06 0.00 0.52 0.00 0.00 34.95 32.17 1iok s ARG 136 CO 0.07 -0.26 1.09 -2.14 0.02 0.00 0.00 175.30 174.08 1iok s PRO 137 N 0.06 2.24 -0.32 3.54 0.02 -1.26 -0.62 135.00 138.66 1iok s PRO 137 Ca 0.57 0.71 -0.02 0.00 0.02 0.00 0.00 61.00 62.28 1iok s PRO 137 Cb -0.36 -1.93 0.11 0.00 0.02 0.00 0.00 34.50 32.34 1iok s PRO 137 CO 0.37 -1.53 0.15 0.08 -0.33 0.00 0.00 177.00 175.74 1iok s VAL 138 N -3.13 0.23 0.00 3.83 1.01 -1.26 -4.82 120.40 116.26 1iok s VAL 138 Ca 0.60 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1iok s VAL 138 Cb -0.14 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.05 1iok s VAL 138 CO 0.54 -0.80 0.00 -0.46 0.00 0.00 0.00 175.10 174.39 1iok n ASN 139 N 4.77 0.93 -4.68 3.32 2.04 -1.26 -4.54 115.26 115.85 1iok n ASN 139 Ca 0.00 0.00 -0.35 0.00 -0.44 0.00 0.00 54.58 53.79 1iok n ASN 139 Cb 0.40 0.00 0.10 0.00 -2.53 0.00 0.00 39.78 37.75 1iok n ASN 139 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1iok n ASP 140 N -2.73 1.18 0.01 0.53 4.64 -1.26 -4.77 116.55 114.16 1iok n ASP 140 Ca 0.00 0.69 0.12 0.00 -1.38 0.00 0.00 54.79 54.22 1iok n ASP 140 Cb 0.40 -1.49 0.51 0.00 -1.04 0.00 0.00 41.12 39.51 1iok n ASP 140 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1iok n SER 141 N -2.32 0.08 0.05 1.67 7.64 -1.26 -0.93 113.62 118.55 1iok n SER 141 Ca 0.14 0.51 -0.07 0.00 1.01 0.00 0.00 58.87 60.46 1iok n SER 141 Cb 0.49 -0.53 -0.12 0.00 -1.01 0.00 0.00 64.21 63.04 1iok n SER 141 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1iok h SER 142 N 0.00 0.00 0.00 6.43 4.64 -1.98 -2.87 113.55 119.77 1iok h SER 142 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1iok h SER 142 Cb 0.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 1iok h SER 142 CO 0.00 0.99 -0.41 -0.33 -0.87 0.00 0.00 176.83 176.22 1iok h GLU 143 N 0.00 0.00 0.00 4.77 5.08 -1.82 -2.90 114.58 119.71 1iok h GLU 143 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1iok h GLU 143 Cb 1.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.06 1iok h GLU 143 CO 0.12 0.64 0.20 0.28 -1.00 0.00 0.00 179.01 179.24 1iok h VAL 144 N -1.00 0.00 0.00 3.13 2.07 -1.17 0.75 116.25 120.03 1iok h VAL 144 Ca -0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1iok h VAL 144 Cb 0.79 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1iok h VAL 144 CO -0.06 0.00 -1.49 0.00 0.02 0.00 0.00 177.57 176.05 1iok n ALA 145 N -1.80 3.20 0.01 1.67 0.00 -1.08 -2.87 120.51 119.64 1iok n ALA 145 Ca -0.02 -0.47 -0.11 0.00 0.00 0.00 0.00 53.44 52.85 1iok n ALA 145 Cb 0.23 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.69 1iok n ALA 145 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1iok h GLN 146 N 0.00 0.07 0.00 0.00 5.75 0.61 -2.87 115.11 118.67 1iok h GLN 146 Ca 0.00 -0.13 -0.04 0.00 -0.15 0.00 0.00 58.65 58.33 1iok h GLN 146 Cb 0.86 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 1iok h GLN 146 CO 0.00 0.77 -0.37 0.28 -2.65 0.00 0.00 178.83 176.86 1iok h VAL 147 N 0.02 0.30 0.01 2.39 2.07 -1.02 -2.48 116.25 117.54 1iok h VAL 147 Ca -0.25 -1.44 -0.20 0.00 0.82 0.00 0.00 66.70 65.63 1iok h VAL 147 Cb 1.98 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 33.79 1iok h VAL 147 CO 0.10 0.17 -0.96 1.23 0.02 0.00 0.00 177.57 178.13 1iok h GLY 148 N 3.83 0.02 0.06 2.17 0.00 -1.59 -2.88 103.07 104.68 1iok h GLY 148 Ca -0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 1iok h GLY 148 CO 0.02 0.04 -0.00 -0.84 0.00 0.00 0.00 176.54 175.77 1iok h THR 149 N 0.01 1.59 -0.67 4.70 2.02 -1.48 -3.26 112.91 115.82 1iok h THR 149 Ca -0.02 -2.10 0.09 0.00 0.77 0.00 0.00 66.41 65.15 1iok h THR 149 Cb 1.69 2.97 -0.07 0.00 -1.74 0.00 0.00 68.15 70.99 1iok h THR 149 CO 0.13 0.52 0.31 0.40 0.37 0.00 0.00 175.52 177.25 1iok h ILE 150 N -0.95 0.82 0.00 3.11 2.04 -1.57 0.57 117.51 121.53 1iok h ILE 150 Ca -0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1iok h ILE 150 Cb 0.86 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1iok h ILE 150 CO 0.00 0.10 0.00 -1.20 0.00 0.00 0.00 178.15 177.05 1iok n SER 151 N -4.91 0.00 -0.44 1.72 7.64 -1.09 -1.30 113.62 115.23 1iok n SER 151 Ca 0.10 -0.06 0.07 0.00 1.01 0.00 0.00 58.87 59.99 1iok n SER 151 Cb 0.27 -0.13 0.16 0.00 -1.01 0.00 0.00 64.21 63.51 1iok n SER 151 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1iok n ALA 152 N -1.13 3.00 -1.44 -0.43 0.00 0.19 -4.25 120.51 116.45 1iok n ALA 152 Ca 0.05 -2.91 -0.15 0.00 0.00 0.00 0.00 53.44 50.43 1iok n ALA 152 Cb 0.05 -0.39 -0.07 0.00 0.00 0.00 0.00 19.45 19.04 1iok n ALA 152 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1iok n ASN 153 N -1.11 -5.37 0.00 0.00 5.03 -0.42 -2.43 115.26 110.96 1iok n ASN 153 Ca 0.16 0.38 0.00 0.00 0.87 0.00 0.00 54.58 56.00 1iok n ASN 153 Cb 0.70 -4.38 0.00 0.00 -1.02 0.00 0.00 39.78 35.08 1iok n ASN 153 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iok n GLY 154 N -0.07 1.09 3.58 7.41 0.00 -0.82 -5.01 105.19 111.36 1iok n GLY 154 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1iok n GLY 154 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iok s GLU 155 N -0.32 3.08 0.55 1.61 0.41 -1.02 -4.74 118.70 118.28 1iok s GLU 155 Ca 0.00 -1.40 0.29 0.00 -0.41 0.00 0.00 54.97 53.45 1iok s GLU 155 Cb 0.00 -5.34 1.57 0.00 -1.78 0.00 0.00 34.13 28.58 1iok s GLU 155 CO 0.00 -3.24 1.87 0.66 -0.49 0.00 0.00 175.26 174.05 1iok h SER 156 N 9.07 0.00 -0.20 -0.19 4.64 -1.91 0.24 113.55 125.20 1iok h SER 156 Ca 0.29 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.40 1iok h SER 156 Cb 0.92 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.02 1iok h SER 156 CO 1.32 0.00 -0.70 0.15 -0.87 0.00 0.00 176.83 176.73 1iok h PHE 157 N 0.00 1.09 0.00 4.77 3.57 -1.98 -3.08 116.94 121.32 1iok h PHE 157 Ca 0.00 -0.45 -0.11 0.00 3.53 0.00 0.00 57.97 60.94 1iok h PHE 157 Cb 0.41 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1iok h PHE 157 CO 0.00 1.29 -0.56 0.82 -2.23 0.00 0.00 178.31 177.62 1iok h ILE 158 N 0.59 0.90 -0.57 1.41 2.04 -1.32 -2.39 117.51 118.17 1iok h ILE 158 Ca -0.03 -2.28 -0.05 0.00 1.00 0.00 0.00 64.86 63.50 1iok h ILE 158 Cb 1.32 2.44 -0.03 0.00 -0.74 0.00 0.00 36.82 39.81 1iok h ILE 158 CO 0.15 0.51 0.15 1.23 0.00 0.00 0.00 178.15 180.19 1iok h GLY 159 N 3.48 0.93 1.26 5.37 0.00 -1.37 -2.02 103.07 110.72 1iok h GLY 159 Ca -0.01 -0.54 -0.32 0.00 0.00 0.00 0.00 47.33 46.46 1iok h GLY 159 CO 0.07 0.50 -1.50 -1.61 0.00 0.00 0.00 176.54 174.00 1iok h GLN 160 N 0.84 0.39 -0.61 4.80 -0.00 -1.56 -2.92 115.11 116.05 1iok h GLN 160 Ca 0.18 -0.67 0.09 0.00 -0.00 0.00 0.00 58.65 58.25 1iok h GLN 160 Cb 0.29 0.25 -0.07 0.00 0.00 0.00 0.00 27.48 27.95 1iok h GLN 160 CO -0.00 1.30 0.24 0.37 0.00 0.00 0.00 178.83 180.74 1iok h GLN 161 N 0.11 0.42 -0.13 1.69 5.75 -1.23 0.12 115.11 121.84 1iok h GLN 161 Ca -0.25 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.12 1iok h GLN 161 Cb 2.08 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 30.54 1iok h GLN 161 CO 0.22 0.28 -0.34 0.82 -2.65 0.00 0.00 178.83 177.15 1iok h ILE 162 N 0.43 1.37 -1.00 2.39 2.04 -1.48 -2.89 117.51 118.37 1iok h ILE 162 Ca 0.31 -1.64 0.15 0.00 1.00 0.00 0.00 64.86 64.68 1iok h ILE 162 Cb 0.37 2.09 -0.09 0.00 -0.74 0.00 0.00 36.82 38.45 1iok h ILE 162 CO -0.30 0.49 0.62 0.00 0.00 0.00 0.00 178.15 178.96 1iok h ALA 163 N 0.52 1.63 0.63 1.87 0.00 -1.19 -0.06 119.26 122.65 1iok h ALA 163 Ca -0.01 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1iok h ALA 163 Cb 0.96 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1iok h ALA 163 CO 0.07 0.07 -0.30 1.49 0.00 0.00 0.00 179.25 180.58 1iok h GLU 164 N 0.86 -0.81 -1.04 0.00 4.57 -0.71 0.11 114.58 117.56 1iok h GLU 164 Ca 0.53 0.06 0.27 0.00 -1.18 0.00 0.00 59.36 59.03 1iok h GLU 164 Cb 0.70 0.18 -0.10 0.00 -0.16 0.00 0.00 28.75 29.37 1iok h GLU 164 CO -0.31 -0.54 0.66 0.00 -1.18 0.00 0.00 179.01 177.64 1iok h ALA 165 N -1.59 2.13 -0.29 2.92 0.00 -1.22 0.25 119.26 121.45 1iok h ALA 165 Ca -0.09 0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1iok h ALA 165 Cb 0.65 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1iok h ALA 165 CO 0.14 -0.57 -0.50 1.98 0.00 0.00 0.00 179.25 180.31 1iok h MET 166 N 0.43 0.86 -0.38 0.00 4.05 -0.80 -2.65 114.93 116.44 1iok h MET 166 Ca 0.62 -0.53 0.00 0.00 -0.28 0.00 0.00 59.70 59.51 1iok h MET 166 Cb 1.48 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.33 1iok h MET 166 CO -0.35 1.16 0.00 0.94 0.23 0.00 0.00 176.91 178.89 1iok n GLN 167 N -4.05 0.90 0.00 0.39 7.27 0.81 -0.50 117.38 122.20 1iok n GLN 167 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.03 1iok n GLN 167 Cb 0.60 -1.19 0.00 0.00 2.41 0.00 0.00 30.24 32.06 1iok n GLN 167 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1iok n ARG 168 N -0.27 1.27 -0.95 3.69 3.00 -0.81 -4.76 116.66 117.83 1iok n ARG 168 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 1iok n ARG 168 Cb 0.10 -0.95 0.05 0.00 0.00 0.00 0.00 32.46 31.65 1iok n ARG 168 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1iok n VAL 169 N -1.47 0.42 -0.49 5.15 0.31 -1.02 -5.00 118.33 116.22 1iok n VAL 169 Ca 0.00 -1.05 0.00 0.00 -0.01 0.00 0.00 64.34 63.28 1iok n VAL 169 Cb 0.10 0.59 -0.00 0.00 -0.91 0.00 0.00 33.84 33.62 1iok n VAL 169 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iok n GLY 170 N -0.01 -3.17 0.35 2.92 0.00 0.35 -2.84 105.19 102.77 1iok n GLY 170 Ca 0.06 -1.17 0.17 0.00 0.00 0.00 0.00 46.02 45.08 1iok n GLY 170 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1iok h ASN 171 N 0.02 0.00 -1.71 1.61 2.35 -1.95 -1.67 115.58 114.24 1iok h ASN 171 Ca -0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.19 1iok h ASN 171 Cb 0.31 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 38.27 1iok h ASN 171 CO 0.00 0.00 -0.80 -0.62 -1.65 0.00 0.00 177.43 174.36 1iok n GLU 172 N -3.15 2.89 0.00 0.81 -0.58 -1.26 -4.97 120.64 114.38 1iok n GLU 172 Ca 0.00 -4.36 0.00 0.00 -0.42 0.00 0.00 57.16 52.38 1iok n GLU 172 Cb 0.40 -2.07 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 1iok n GLU 172 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1iok n GLY 173 N -0.30 1.54 2.50 0.62 0.00 -0.63 -5.08 105.19 103.82 1iok n GLY 173 Ca 0.32 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.48 1iok n GLY 173 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iok s VAL 174 N 3.15 0.08 0.37 1.61 0.11 -1.26 -5.08 120.40 119.39 1iok s VAL 174 Ca 0.00 -1.85 -0.06 0.00 -2.93 0.00 0.00 61.98 57.13 1iok s VAL 174 Cb 0.00 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.75 1iok s VAL 174 CO 0.00 -0.97 0.67 -0.63 -3.33 0.00 0.00 175.10 170.84 1iok s ILE 175 N 0.82 4.92 -0.42 7.04 1.01 -1.26 -2.86 121.20 130.46 1iok s ILE 175 Ca 0.23 0.24 0.05 0.00 0.00 0.00 0.00 60.65 61.17 1iok s ILE 175 Cb -0.13 -3.77 0.17 0.00 0.01 0.00 0.00 42.46 38.74 1iok s ILE 175 CO -0.06 -0.51 0.49 -0.89 0.00 0.00 0.00 174.94 173.97 1iok s THR 176 N -2.33 -0.47 0.29 2.92 2.01 -1.10 -4.97 115.64 111.98 1iok s THR 176 Ca 0.47 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 1iok s THR 176 Cb -0.10 -0.51 -0.12 0.00 0.01 0.00 0.00 72.50 71.78 1iok s THR 176 CO 0.34 -0.48 1.62 0.55 -0.69 0.00 0.00 174.62 175.96 1iok n VAL 177 N 3.76 0.93 -3.96 3.82 3.14 -1.26 -3.75 118.33 121.01 1iok n VAL 177 Ca 0.16 -0.23 -0.09 0.00 -2.96 0.00 0.00 64.34 61.22 1iok n VAL 177 Cb 0.50 -1.99 -0.09 0.00 -1.06 0.00 0.00 33.84 31.19 1iok n VAL 177 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 1iok s GLU 178 N -0.36 0.62 0.50 1.45 2.02 0.14 -4.91 118.70 118.15 1iok s GLU 178 Ca 0.65 -0.88 -0.19 0.00 0.02 0.00 0.00 54.97 54.57 1iok s GLU 178 Cb -0.49 0.24 -0.08 0.00 0.10 0.00 0.00 34.13 33.90 1iok s GLU 178 CO 0.47 -0.15 1.01 -1.21 0.02 0.00 0.00 175.26 175.40 1iok s GLU 179 N -3.02 3.85 0.00 1.61 2.02 -1.26 0.03 118.70 121.92 1iok s GLU 179 Ca -0.01 1.18 0.00 0.00 0.02 0.00 0.00 54.97 56.16 1iok s GLU 179 Cb 0.01 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.13 1iok s GLU 179 CO -0.07 -0.37 0.00 -1.71 0.02 0.00 0.00 175.26 173.14 1iok n ASN 180 N -1.22 0.00 0.00 -0.19 5.15 0.15 -4.74 115.26 114.41 1iok n ASN 180 Ca 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 1iok n ASN 180 Cb 0.53 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 1iok n ASN 180 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1iok n LYS 181 N 0.00 0.00 -0.23 1.20 4.76 -1.26 -4.95 118.16 117.68 1iok n LYS 181 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1iok n LYS 181 Cb 0.00 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.22 1iok n LYS 181 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1iok n GLY 182 N 3.70 -1.34 2.38 0.72 0.00 -1.26 -4.50 105.19 104.89 1iok n GLY 182 Ca 0.00 -1.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 1iok n GLY 182 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1iok n MET 183 N -1.43 3.35 -3.83 1.61 2.81 -0.75 -3.15 117.12 115.73 1iok n MET 183 Ca 0.02 -2.05 -0.24 0.00 -1.81 0.00 0.00 57.70 53.62 1iok n MET 183 Cb 0.07 -2.73 -0.17 0.00 -0.71 0.00 0.00 33.22 29.68 1iok n MET 183 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 1iok s GLU 184 N 2.45 0.87 -0.19 0.03 1.03 -1.26 -4.83 118.70 116.80 1iok s GLU 184 Ca 0.63 -0.00 -0.06 0.00 0.03 0.00 0.00 54.97 55.57 1iok s GLU 184 Cb 0.16 -1.13 -0.03 0.00 -0.80 0.00 0.00 34.13 32.33 1iok s GLU 184 CO -0.05 -0.28 0.02 0.99 -1.33 0.00 0.00 175.26 174.60 1iok s THR 185 N 1.85 4.21 0.04 1.83 2.01 -1.25 -3.93 115.64 120.40 1iok s THR 185 Ca 0.04 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 61.80 1iok s THR 185 Cb -0.12 -2.90 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 1iok s THR 185 CO -0.06 0.44 -0.01 -1.83 -0.69 0.00 0.00 174.62 172.47 1iok s GLU 186 N 0.79 0.53 -0.72 4.92 -1.05 -1.05 -4.95 118.70 117.17 1iok s GLU 186 Ca 0.01 -0.97 0.03 0.00 -0.15 0.00 0.00 54.97 53.89 1iok s GLU 186 Cb -0.14 0.19 0.17 0.00 -0.44 0.00 0.00 34.13 33.91 1iok s GLU 186 CO 0.02 -0.10 0.53 0.08 0.95 0.00 0.00 175.26 176.73 1iok s VAL 187 N -3.04 3.17 0.80 1.83 1.01 -1.26 0.68 120.40 123.59 1iok s VAL 187 Ca -0.01 -4.08 -0.12 0.00 0.00 0.00 0.00 61.98 57.77 1iok s VAL 187 Cb 0.02 -3.06 0.07 0.00 0.00 0.00 0.00 36.38 33.40 1iok s VAL 187 CO -0.07 -1.00 1.12 -1.61 0.00 0.00 0.00 175.10 173.54 1iok s GLU 188 N -1.30 2.10 -0.47 2.72 2.02 -1.22 -4.80 118.70 117.76 1iok s GLU 188 Ca 0.24 0.45 0.07 0.00 0.02 0.00 0.00 54.97 55.76 1iok s GLU 188 Cb -0.07 -1.94 0.24 0.00 0.10 0.00 0.00 34.13 32.45 1iok s GLU 188 CO -0.14 -1.56 0.55 0.28 0.02 0.00 0.00 175.26 174.41 1iok n VAL 189 N -3.36 0.16 -0.52 2.63 0.31 -1.26 -1.59 118.33 114.70 1iok n VAL 189 Ca 0.07 -4.30 -0.30 0.00 -0.01 0.00 0.00 64.34 59.80 1iok n VAL 189 Cb 0.58 -1.97 0.27 0.00 -0.91 0.00 0.00 33.84 31.81 1iok n VAL 189 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1iok s VAL 190 N -1.38 1.47 -0.46 2.52 1.01 -1.20 -4.62 120.40 117.74 1iok s VAL 190 Ca 0.35 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.23 1iok s VAL 190 Cb 0.14 -2.13 0.10 0.00 0.00 0.00 0.00 36.38 34.49 1iok s VAL 190 CO -0.10 0.00 0.34 -1.61 0.00 0.00 0.00 175.10 173.73 1iok s GLU 191 N -4.96 2.64 0.28 2.72 0.41 -1.26 -1.64 118.70 116.89 1iok s GLU 191 Ca 0.69 -1.60 0.03 0.00 -0.41 0.00 0.00 54.97 53.67 1iok s GLU 191 Cb -0.16 -3.94 -0.01 0.00 -1.78 0.00 0.00 34.13 28.24 1iok s GLU 191 CO 0.59 -1.10 0.31 0.41 -0.49 0.00 0.00 175.26 174.98 1iok n GLY 192 N 4.98 2.74 3.45 -1.39 0.00 -1.26 -2.25 105.19 111.47 1iok n GLY 192 Ca -0.10 -1.72 -0.24 0.00 0.00 0.00 0.00 46.02 43.96 1iok n GLY 192 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1iok s MET 193 N -2.89 1.86 -0.32 1.61 1.75 0.30 -4.52 119.30 117.09 1iok s MET 193 Ca 0.28 -2.12 0.06 0.00 -1.25 0.00 0.00 55.69 52.67 1iok s MET 193 Cb 0.00 -0.38 0.19 0.00 2.84 0.00 0.00 34.83 37.49 1iok s MET 193 CO 0.20 -0.51 0.59 -1.14 -0.65 0.00 0.00 175.02 173.51 1iok s GLN 194 N -3.67 0.61 0.51 4.11 0.74 -1.26 0.42 119.66 121.12 1iok s GLN 194 Ca 0.28 0.35 -0.09 0.00 0.05 0.00 0.00 55.36 55.95 1iok s GLN 194 Cb 0.03 0.18 0.13 0.00 1.10 0.00 0.00 33.01 34.45 1iok s GLN 194 CO 0.17 -1.08 0.38 1.19 -0.55 0.00 0.00 175.29 175.40 1iok n PHE 195 N 5.20 -3.05 -1.59 1.67 3.72 0.62 -4.86 117.46 119.18 1iok n PHE 195 Ca 0.06 -0.35 0.06 0.00 -0.05 0.00 0.00 57.45 57.17 1iok n PHE 195 Cb 0.54 -0.45 0.21 0.00 -0.94 0.00 0.00 39.48 38.84 1iok n PHE 195 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1iok n ASP 196 N -3.88 1.75 -4.28 4.37 8.00 -1.26 -3.62 116.55 117.63 1iok n ASP 196 Ca 0.06 -3.89 -0.19 0.00 0.71 0.00 0.00 54.79 51.48 1iok n ASP 196 Cb 0.23 -0.53 -0.11 0.00 -0.02 0.00 0.00 41.12 40.68 1iok n ASP 196 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1iok s ARG 197 N -3.23 1.12 0.00 -1.24 0.52 -1.15 -4.44 118.95 110.53 1iok s ARG 197 Ca 0.38 -1.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 1iok s ARG 197 Cb 0.37 -1.00 0.00 0.00 0.52 0.00 0.00 34.95 34.84 1iok s ARG 197 CO -0.07 0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.85 1iok n GLY 198 N 0.30 3.50 3.07 -3.53 0.00 -1.16 -0.91 105.19 106.46 1iok n GLY 198 Ca -0.14 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.09 1iok n GLY 198 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1iok n TYR 199 N 0.00 -2.63 -0.09 1.61 0.18 -0.62 -4.35 117.16 111.25 1iok n TYR 199 Ca 0.00 -1.58 -0.11 0.00 1.88 0.00 0.00 57.90 58.10 1iok n TYR 199 Cb 0.00 -0.48 -0.13 0.00 -0.38 0.00 0.00 39.34 38.35 1iok n TYR 199 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1iok n LEU 200 N 0.00 0.86 -3.90 -3.48 7.99 -1.21 -4.94 117.00 112.33 1iok n LEU 200 Ca 0.13 -0.04 -0.15 0.00 -0.01 0.00 0.00 56.01 55.94 1iok n LEU 200 Cb 0.47 0.08 -0.15 0.00 -0.11 0.00 0.00 43.42 43.71 1iok n LEU 200 CO 0.31 0.56 -0.38 -0.94 -1.51 0.00 0.00 177.39 175.43 1iok s SER 201 N -5.45 0.41 0.45 -1.43 1.04 -1.26 -5.03 113.70 102.43 1iok s SER 201 Ca -0.15 -0.05 0.14 0.00 0.48 0.00 0.00 55.95 56.37 1iok s SER 201 Cb 0.06 -0.10 1.01 0.00 0.10 0.00 0.00 66.02 67.09 1iok s SER 201 CO 0.66 0.00 2.00 1.55 0.98 0.00 0.00 173.24 178.44 1iok h PRO 202 N 6.41 0.02 0.00 4.02 0.13 -1.99 -0.80 132.00 139.79 1iok h PRO 202 Ca -0.31 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1iok h PRO 202 Cb 1.18 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1iok h PRO 202 CO 0.50 0.18 0.00 0.66 -0.23 0.00 0.00 178.00 179.10 1iok n TYR 203 N -4.34 0.00 1.44 1.56 4.01 -1.26 -0.96 117.16 117.60 1iok n TYR 203 Ca -0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.85 1iok n TYR 203 Cb 0.23 -0.45 0.51 0.00 -0.31 0.00 0.00 39.34 39.33 1iok n TYR 203 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1iok n PHE 204 N -1.45 0.00 -3.37 -0.72 -0.00 -0.30 -4.89 117.46 106.73 1iok n PHE 204 Ca 0.03 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.11 1iok n PHE 204 Cb 0.11 -0.06 -0.06 0.00 -0.00 0.00 0.00 39.48 39.47 1iok n PHE 204 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1iok s VAL 205 N -2.23 4.86 -0.52 -2.13 1.01 -0.14 -4.88 120.40 116.38 1iok s VAL 205 Ca 0.33 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1iok s VAL 205 Cb 0.20 -3.79 0.46 0.00 0.00 0.00 0.00 36.38 33.25 1iok s VAL 205 CO 0.42 0.46 1.96 0.35 0.00 0.00 0.00 175.10 178.28 1iok n THR 206 N 1.43 3.26 -0.65 3.92 -2.24 -1.26 -5.00 114.28 113.75 1iok n THR 206 Ca -0.10 -2.30 -0.31 0.00 -2.27 0.00 0.00 64.05 59.08 1iok n THR 206 Cb 0.51 -0.97 -0.06 0.00 -2.10 0.00 0.00 70.33 67.71 1iok n THR 206 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1iok n ASN 207 N -0.73 0.39 -0.06 3.42 5.15 -1.26 -4.80 115.26 117.37 1iok n ASN 207 Ca 0.54 0.36 -0.06 0.00 -0.60 0.00 0.00 54.58 54.82 1iok n ASN 207 Cb 0.95 -0.45 -0.08 0.00 -0.53 0.00 0.00 39.78 39.66 1iok n ASN 207 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1iok n ALA 208 N 3.70 1.72 0.00 5.20 0.00 -1.26 -4.89 120.51 124.98 1iok n ALA 208 Ca 0.27 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1iok n ALA 208 Cb -0.02 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1iok n ALA 208 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iok n ASP 209 N -2.52 0.00 -4.26 0.00 8.00 -1.26 -5.13 116.55 111.39 1iok n ASP 209 Ca -0.19 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.16 1iok n ASP 209 Cb 0.84 0.05 -0.10 0.00 -0.02 0.00 0.00 41.12 41.88 1iok n ASP 209 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1iok s LYS 210 N -1.22 1.10 -0.73 -1.24 1.02 -1.26 -5.04 119.74 112.36 1iok s LYS 210 Ca 0.00 -1.48 -0.24 0.00 0.02 0.00 0.00 55.97 54.27 1iok s LYS 210 Cb 0.00 -0.60 -0.18 0.00 -0.52 0.00 0.00 37.83 36.52 1iok s LYS 210 CO 0.00 0.04 1.88 -1.33 -0.92 0.00 0.00 175.35 175.02 1iok n MET 211 N -0.23 1.25 -4.03 1.68 2.81 -1.26 -4.41 117.12 112.93 1iok n MET 211 Ca -0.09 -1.82 -0.21 0.00 -1.81 0.00 0.00 57.70 53.77 1iok n MET 211 Cb 0.61 -3.02 -0.17 0.00 -0.71 0.00 0.00 33.22 29.94 1iok n MET 211 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1iok s ILE 212 N 6.65 0.51 -0.33 2.02 1.01 -1.26 -4.29 121.20 125.52 1iok s ILE 212 Ca 0.62 -0.06 -0.20 0.00 0.00 0.00 0.00 60.65 61.01 1iok s ILE 212 Cb 0.12 -0.58 -0.00 0.00 0.01 0.00 0.00 42.46 42.00 1iok s ILE 212 CO 0.16 0.24 0.62 0.00 0.00 0.00 0.00 174.94 175.97 1iok s ALA 213 N 1.26 3.50 -0.30 9.38 0.00 0.17 -4.17 121.76 131.61 1iok s ALA 213 Ca -0.06 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 1iok s ALA 213 Cb -0.14 -3.12 -0.03 0.00 0.00 0.00 0.00 23.12 19.83 1iok s ALA 213 CO -0.02 -1.17 0.18 -1.21 0.00 0.00 0.00 175.76 173.54 1iok s GLU 214 N 2.63 3.66 -0.22 0.00 0.41 -1.26 -0.24 118.70 123.69 1iok s GLU 214 Ca 0.25 -0.51 0.01 0.00 -0.41 0.00 0.00 54.97 54.31 1iok s GLU 214 Cb -0.15 -3.64 0.05 0.00 -1.78 0.00 0.00 34.13 28.62 1iok s GLU 214 CO 0.13 -0.30 -0.08 -0.51 -0.49 0.00 0.00 175.26 174.01 1iok s LEU 215 N 1.70 2.55 -0.18 1.80 1.02 -0.37 -5.00 118.68 120.20 1iok s LEU 215 Ca 0.06 -1.10 -0.21 0.00 0.02 0.00 0.00 54.13 52.91 1iok s LEU 215 Cb -0.16 -1.23 -0.03 0.00 0.02 0.00 0.00 46.19 44.79 1iok s LEU 215 CO 0.09 -0.20 0.61 -1.83 0.02 0.00 0.00 176.35 175.04 1iok s GLU 216 N 1.37 4.23 -0.95 1.70 1.03 -1.26 -1.07 118.70 123.75 1iok s GLU 216 Ca -0.05 0.60 -0.10 0.00 0.03 0.00 0.00 54.97 55.46 1iok s GLU 216 Cb -0.18 -3.56 -0.01 0.00 -0.80 0.00 0.00 34.13 29.59 1iok s GLU 216 CO -0.07 -0.18 0.72 -0.25 -1.33 0.00 0.00 175.26 174.16 1iok n ASP 217 N 4.83 -5.90 -4.74 0.83 8.00 0.40 -4.47 116.55 115.49 1iok n ASP 217 Ca -0.02 -0.75 -0.23 0.00 0.71 0.00 0.00 54.79 54.51 1iok n ASP 217 Cb 0.50 -3.47 0.11 0.00 -0.02 0.00 0.00 41.12 38.23 1iok n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1iok s ALA 218 N -3.21 4.02 -0.47 2.24 0.00 -1.24 -3.01 121.76 120.10 1iok s ALA 218 Ca 0.22 -1.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.11 1iok s ALA 218 Cb -0.08 -1.80 0.10 0.00 0.00 0.00 0.00 23.12 21.34 1iok s ALA 218 CO 0.84 -1.39 0.36 0.71 0.00 0.00 0.00 175.76 176.28 1iok s TYR 219 N -3.05 3.33 -0.57 0.00 4.12 0.44 -4.34 117.35 117.28 1iok s TYR 219 Ca 0.66 -1.48 -0.25 0.00 0.02 0.00 0.00 57.07 56.02 1iok s TYR 219 Cb -0.04 -3.33 0.04 0.00 -1.52 0.00 0.00 41.96 37.10 1iok s TYR 219 CO 0.44 -0.92 1.03 0.42 0.02 0.00 0.00 175.55 176.54 1iok s ILE 220 N 1.48 4.25 0.32 2.71 -1.09 -1.06 0.14 121.20 127.95 1iok s ILE 220 Ca 0.04 0.47 0.10 0.00 -2.23 0.00 0.00 60.65 59.03 1iok s ILE 220 Cb -0.26 -4.62 -0.06 0.00 -1.58 0.00 0.00 42.46 35.95 1iok s ILE 220 CO 0.02 -1.22 -0.14 -1.48 -1.23 0.00 0.00 174.94 170.89 1iok s LEU 221 N 4.33 2.67 -0.29 2.97 0.05 -0.60 -2.44 118.68 125.38 1iok s LEU 221 Ca 0.34 -1.13 -0.21 0.00 0.05 0.00 0.00 54.13 53.18 1iok s LEU 221 Cb -0.11 -1.03 0.15 0.00 -2.05 0.00 0.00 46.19 43.15 1iok s LEU 221 CO 0.21 -0.11 1.11 -1.48 -0.55 0.00 0.00 176.35 175.53 1iok s LEU 222 N -3.57 -0.36 0.14 1.48 0.05 -1.26 -2.23 118.68 112.93 1iok s LEU 222 Ca 0.31 0.64 -0.01 0.00 0.05 0.00 0.00 54.13 55.12 1iok s LEU 222 Cb -0.01 1.62 -0.04 0.00 -2.05 0.00 0.00 46.19 45.72 1iok s LEU 222 CO 0.16 -0.11 0.07 -1.38 -0.55 0.00 0.00 176.35 174.54 1iok s HIS 223 N 0.64 0.89 -2.06 3.48 -3.43 -1.22 -5.04 115.29 108.55 1iok s HIS 223 Ca -0.01 -1.24 0.12 0.00 -0.80 0.00 0.00 55.06 53.12 1iok s HIS 223 Cb -0.04 -0.48 0.45 0.00 -1.43 0.00 0.00 32.58 31.08 1iok s HIS 223 CO -0.11 -0.54 1.33 0.39 -2.00 0.00 0.00 174.74 173.80 1iok n GLU 224 N -0.12 1.47 0.00 -0.38 -0.58 -1.26 -4.58 120.64 115.19 1iok n GLU 224 Ca -0.04 -0.73 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 1iok n GLU 224 Cb 0.64 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 1iok n GLU 224 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1iok n LYS 225 N 0.03 3.39 -1.03 3.49 2.85 -1.26 -4.88 118.16 120.76 1iok n LYS 225 Ca 0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 1iok n LYS 225 Cb 0.20 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.58 1iok n LYS 225 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1iok n LYS 226 N 0.00 0.39 -2.38 -1.58 5.02 -1.26 -2.30 118.16 116.05 1iok n LYS 226 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 1iok n LYS 226 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 1iok n LYS 226 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1iok n LEU 227 N 0.00 5.39 0.00 -0.35 4.32 0.46 -4.90 117.00 121.92 1iok n LEU 227 Ca 0.00 -5.17 0.00 0.00 -0.02 0.00 0.00 56.01 50.82 1iok n LEU 227 Cb 0.00 -0.62 0.00 0.00 -1.62 0.00 0.00 43.42 41.18 1iok n LEU 227 CO 0.00 2.14 0.06 -1.54 -1.22 0.00 0.00 177.39 176.82 1iok n SER 228 N -0.47 0.00 -4.67 -1.43 3.41 -1.26 -1.18 113.62 108.02 1iok n SER 228 Ca 0.42 0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.73 1iok n SER 228 Cb 0.54 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.45 1iok n SER 228 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1iok s SER 229 N -1.90 7.02 0.00 4.04 0.15 -1.26 -4.32 113.70 117.43 1iok s SER 229 Ca 0.00 1.26 0.26 0.00 0.70 0.00 0.00 55.95 58.17 1iok s SER 229 Cb 0.00 -2.48 0.75 0.00 -1.71 0.00 0.00 66.02 62.58 1iok s SER 229 CO 0.00 -0.44 1.58 -0.11 1.20 0.00 0.00 173.24 175.47 1iok n LEU 230 N 5.34 0.45 -0.24 3.45 7.94 -1.26 -4.24 117.00 128.44 1iok n LEU 230 Ca 0.06 0.07 0.02 0.00 -1.11 0.00 0.00 56.01 55.05 1iok n LEU 230 Cb 0.48 -0.28 0.10 0.00 0.53 0.00 0.00 43.42 44.25 1iok n LEU 230 CO 0.49 0.10 0.76 1.56 -1.11 0.00 0.00 177.39 179.20 1iok h GLN 231 N 0.19 0.04 -5.82 1.96 7.50 -1.99 -3.55 115.11 113.43 1iok h GLN 231 Ca 0.00 -0.00 -0.42 0.00 0.50 0.00 0.00 58.65 58.73 1iok h GLN 231 Cb 0.49 -0.01 -0.03 0.00 0.05 0.00 0.00 27.48 27.98 1iok h GLN 231 CO 0.00 0.02 1.21 -1.25 -1.50 0.00 0.00 178.83 177.31 1iok s PRO 232 N -6.20 2.44 0.00 1.46 0.04 -1.26 -5.31 135.00 126.18 1iok s PRO 232 Ca -0.14 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1iok s PRO 232 Cb 0.21 -4.58 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1iok s PRO 232 CO 0.74 -3.07 0.46 0.94 0.04 0.00 0.00 177.00 176.11 1iok n GLN 244 N 9.07 0.29 -3.73 4.56 7.27 -1.26 -5.25 117.38 128.33 1iok n GLN 244 Ca 0.29 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 57.13 1iok n GLN 244 Cb 0.51 -1.36 -0.17 0.00 2.41 0.00 0.00 30.24 31.63 1iok n GLN 244 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1iok s LYS 245 N 1.14 0.43 1.04 3.69 3.01 -1.26 -5.11 119.74 122.68 1iok s LYS 245 Ca 0.00 0.06 -0.21 0.00 -1.01 0.00 0.00 55.97 54.82 1iok s LYS 245 Cb 0.00 -1.14 -0.03 0.00 -1.01 0.00 0.00 37.83 35.65 1iok s LYS 245 CO 0.00 -0.39 -0.54 -2.30 0.51 0.00 0.00 175.35 172.63 1iok n PRO 246 N 5.17 -0.71 -4.30 -1.68 -0.02 -1.16 -4.60 135.00 127.70 1iok n PRO 246 Ca -0.07 -0.19 -0.19 0.00 -2.02 0.00 0.00 63.50 61.03 1iok n PRO 246 Cb 0.49 -1.41 -0.11 0.00 -0.02 0.00 0.00 33.50 32.45 1iok n PRO 246 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1iok s LEU 247 N 2.84 2.46 -0.18 2.45 2.96 -1.26 0.16 118.68 128.11 1iok s LEU 247 Ca 0.48 -0.89 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 1iok s LEU 247 Cb -0.07 -0.66 0.09 0.00 0.50 0.00 0.00 46.19 46.05 1iok s LEU 247 CO 0.68 -0.13 0.28 -0.22 -1.32 0.00 0.00 176.35 175.65 1iok s LEU 248 N -2.79 -0.32 -0.17 -0.68 0.20 0.38 0.11 118.68 115.41 1iok s LEU 248 Ca 0.15 0.28 -0.07 0.00 0.69 0.00 0.00 54.13 55.18 1iok s LEU 248 Cb -0.04 0.71 -0.04 0.00 -0.43 0.00 0.00 46.19 46.39 1iok s LEU 248 CO 0.05 -0.28 0.06 -0.63 -0.29 0.00 0.00 176.35 175.26 1iok s ILE 249 N 2.42 4.81 -0.29 6.68 1.01 0.24 -1.55 121.20 134.52 1iok s ILE 249 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.69 1iok s ILE 249 Cb -0.14 -3.16 0.08 0.00 0.01 0.00 0.00 42.46 39.26 1iok s ILE 249 CO -0.11 0.48 0.01 -0.69 0.00 0.00 0.00 174.94 174.62 1iok s VAL 250 N 0.23 1.66 0.00 2.92 1.01 -0.95 -0.82 120.40 124.45 1iok s VAL 250 Ca 0.04 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.38 1iok s VAL 250 Cb -0.12 -2.08 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1iok s VAL 250 CO 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 175.10 174.72 1iok n ALA 251 N 4.56 0.00 -0.01 5.51 0.00 -1.09 -3.41 120.51 126.07 1iok n ALA 251 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 1iok n ALA 251 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 1iok n ALA 251 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1iok h GLU 252 N 0.00 0.06 0.00 0.00 3.07 -1.71 -1.14 114.58 114.87 1iok h GLU 252 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1iok h GLU 252 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1iok h GLU 252 CO 0.00 0.39 0.00 -3.47 -1.40 0.00 0.00 179.01 174.53 1iok n ASP 253 N -4.88 0.00 -4.38 1.42 2.03 -1.26 -4.83 116.55 104.66 1iok n ASP 253 Ca -0.07 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.89 1iok n ASP 253 Cb 0.20 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.47 1iok n ASP 253 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1iok s VAL 254 N -2.00 3.60 -1.27 5.18 1.01 -1.26 0.18 120.40 125.84 1iok s VAL 254 Ca 0.00 -0.43 0.15 0.00 0.00 0.00 0.00 61.98 61.70 1iok s VAL 254 Cb 0.00 -2.63 0.58 0.00 0.00 0.00 0.00 36.38 34.33 1iok s VAL 254 CO 0.00 0.43 1.46 -0.62 0.00 0.00 0.00 175.10 176.37 1iok n GLU 255 N 4.45 3.16 0.00 2.72 4.71 -0.32 -4.93 120.64 130.42 1iok n GLU 255 Ca -0.18 -2.29 0.00 0.00 -0.01 0.00 0.00 57.16 54.69 1iok n GLU 255 Cb 0.51 -1.76 0.00 0.00 -1.01 0.00 0.00 31.44 29.19 1iok n GLU 255 CO 0.00 0.00 0.00 1.51 0.09 0.00 0.00 177.13 178.73 1iok n ILE 273 N 0.89 -0.41 -5.03 -3.67 0.13 -1.26 -4.95 119.36 105.06 1iok n ILE 273 Ca 0.21 0.00 -0.28 0.00 -1.10 0.00 0.00 62.75 61.58 1iok n ILE 273 Cb 0.73 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 39.37 1iok n ILE 273 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1iok s ALA 274 N -1.68 1.79 -0.20 1.51 0.00 0.30 -4.94 121.76 118.55 1iok s ALA 274 Ca 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 51.96 51.07 1iok s ALA 274 Cb 0.00 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.63 1iok s ALA 274 CO 0.00 0.36 0.03 0.00 0.00 0.00 0.00 175.76 176.15 1iok s ALA 275 N -0.15 1.05 0.03 0.00 0.00 -1.26 0.82 121.76 122.26 1iok s ALA 275 Ca -0.01 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.23 1iok s ALA 275 Cb -0.11 -1.20 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1iok s ALA 275 CO 0.02 -1.18 -0.06 0.14 0.00 0.00 0.00 175.76 174.68 1iok s VAL 276 N 1.83 0.37 0.26 0.00 -7.23 0.00 -3.31 120.40 112.32 1iok s VAL 276 Ca -0.01 -1.04 -0.30 0.00 -1.81 0.00 0.00 61.98 58.82 1iok s VAL 276 Cb -0.17 -0.51 -0.09 0.00 0.56 0.00 0.00 36.38 36.16 1iok s VAL 276 CO -0.08 -0.45 1.00 -0.75 -0.31 0.00 0.00 175.10 174.51 1iok s LYS 277 N -1.62 4.77 0.59 4.82 2.20 -1.26 -2.66 119.74 126.58 1iok s LYS 277 Ca -0.12 1.60 -0.19 0.00 -0.36 0.00 0.00 55.97 56.91 1iok s LYS 277 Cb -0.09 -3.23 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1iok s LYS 277 CO -0.00 0.39 0.99 0.00 -0.36 0.00 0.00 175.35 176.37 1iok n ALA 278 N 1.34 0.25 -2.19 3.13 0.00 -0.43 -4.78 120.51 117.83 1iok n ALA 278 Ca -0.02 0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.15 1iok n ALA 278 Cb 0.46 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 1iok n ALA 278 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1iok s PRO 279 N -2.72 3.76 0.26 0.00 0.04 -1.26 -4.97 135.00 130.11 1iok s PRO 279 Ca 0.75 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.23 1iok s PRO 279 Cb -0.42 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1iok s PRO 279 CO 0.48 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.88 1iok n GLY 280 N -1.38 -2.60 3.54 0.56 0.00 -1.26 -4.42 105.19 99.63 1iok n GLY 280 Ca 0.02 -1.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 1iok n GLY 280 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1iok s PHE 281 N -0.50 -0.50 0.00 1.61 -0.12 -1.26 -4.75 117.98 112.46 1iok s PHE 281 Ca 0.00 0.83 0.00 0.00 -0.05 0.00 0.00 56.93 57.71 1iok s PHE 281 Cb 0.00 0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.83 1iok s PHE 281 CO 0.00 -0.48 0.00 0.41 -0.05 0.00 0.00 175.22 175.10 1iok n GLY 282 N 0.73 3.01 0.07 1.99 0.00 -1.26 -1.49 105.19 108.24 1iok n GLY 282 Ca -0.14 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.81 1iok n GLY 282 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1iok n ASP 283 N 6.93 0.44 -0.42 1.61 5.68 -1.26 -2.46 116.55 127.08 1iok n ASP 283 Ca 0.00 0.56 0.14 0.00 -0.50 0.00 0.00 54.79 55.00 1iok n ASP 283 Cb 0.00 -0.67 0.57 0.00 -1.14 0.00 0.00 41.12 39.88 1iok n ASP 283 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1iok n ARG 284 N -1.94 1.58 0.14 0.11 5.12 -0.56 -4.07 116.66 117.05 1iok n ARG 284 Ca 0.05 -0.85 -0.06 0.00 -1.93 0.00 0.00 57.85 55.07 1iok n ARG 284 Cb 0.32 -1.48 -0.03 0.00 -1.16 0.00 0.00 32.46 30.12 1iok n ARG 284 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iok h ARG 285 N 2.07 -0.35 -0.53 5.56 3.08 -1.53 -0.36 114.38 122.32 1iok h ARG 285 Ca 0.00 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1iok h ARG 285 Cb 0.44 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1iok h ARG 285 CO 0.00 -0.23 0.22 0.87 -1.07 0.00 0.00 179.97 179.76 1iok h LYS 286 N -0.45 0.76 0.17 0.04 1.57 -1.80 -1.81 116.57 115.05 1iok h LYS 286 Ca -0.04 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1iok h LYS 286 Cb 0.28 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1iok h LYS 286 CO 0.06 0.62 -0.15 0.00 -0.57 0.00 0.00 179.45 179.41 1iok h ALA 287 N 1.49 -0.31 -0.29 3.86 0.00 -1.70 0.90 119.26 123.21 1iok h ALA 287 Ca 0.18 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1iok h ALA 287 Cb 0.13 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1iok h ALA 287 CO -0.02 -0.69 0.10 0.52 0.00 0.00 0.00 179.25 179.16 1iok h MET 288 N -0.34 0.23 -0.06 0.00 2.86 -0.76 0.26 114.93 117.11 1iok h MET 288 Ca -0.00 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1iok h MET 288 Cb 0.32 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.92 1iok h MET 288 CO -0.03 0.15 0.05 -0.07 1.06 0.00 0.00 176.91 178.07 1iok h LEU 289 N 0.24 0.00 0.01 1.22 3.38 -1.06 -2.15 115.31 116.94 1iok h LEU 289 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1iok h LEU 289 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1iok h LEU 289 CO -0.12 0.00 -0.06 -0.61 0.09 0.00 0.00 178.44 177.74 1iok h GLN 290 N 0.00 0.03 -0.97 1.13 -0.00 0.68 0.28 115.11 116.26 1iok h GLN 290 Ca 0.03 -0.04 0.20 0.00 -0.00 0.00 0.00 58.65 58.84 1iok h GLN 290 Cb 0.13 0.01 -0.11 0.00 0.00 0.00 0.00 27.48 27.51 1iok h GLN 290 CO -0.00 0.94 0.56 -0.44 0.00 0.00 0.00 178.83 179.89 1iok h ASP 291 N -0.86 0.66 1.01 -0.69 3.32 -0.15 0.34 116.42 120.05 1iok h ASP 291 Ca -0.01 0.12 -0.19 0.00 0.02 0.00 0.00 57.03 56.97 1iok h ASP 291 Cb 0.97 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 1iok h ASP 291 CO 0.01 0.18 -1.04 -0.29 -1.72 0.00 0.00 179.24 176.38 1iok h ILE 292 N 0.65 1.13 -0.77 0.35 6.09 -1.48 -3.20 117.51 120.28 1iok h ILE 292 Ca 0.58 -2.73 0.09 0.00 -1.37 0.00 0.00 64.86 61.43 1iok h ILE 292 Cb 0.98 2.52 -0.07 0.00 0.47 0.00 0.00 36.82 40.73 1iok h ILE 292 CO -0.43 0.64 0.42 0.00 -3.07 0.00 0.00 178.15 175.72 1iok h ALA 293 N 1.21 1.07 -0.19 0.18 0.00 0.18 -1.29 119.26 120.43 1iok h ALA 293 Ca -0.08 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1iok h ALA 293 Cb 1.67 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1iok h ALA 293 CO 0.09 0.04 -0.37 0.82 0.00 0.00 0.00 179.25 179.83 1iok h ILE 294 N 0.71 1.33 -0.88 0.00 5.03 -1.36 0.83 117.51 123.17 1iok h ILE 294 Ca 0.37 -1.60 0.20 0.00 -0.12 0.00 0.00 64.86 63.71 1iok h ILE 294 Cb 0.34 1.88 -0.06 0.00 -3.03 0.00 0.00 36.82 35.95 1iok h ILE 294 CO -0.25 0.49 0.59 0.25 -0.68 0.00 0.00 178.15 178.55 1iok h LEU 295 N 0.25 0.36 0.00 1.44 5.85 -1.32 -2.03 115.31 119.87 1iok h LEU 295 Ca 0.01 0.04 -0.31 0.00 0.84 0.00 0.00 57.88 58.45 1iok h LEU 295 Cb 0.96 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 1iok h LEU 295 CO 0.08 0.15 -2.27 0.35 -0.34 0.00 0.00 178.44 176.41 1iok n THR 296 N -4.49 1.17 -1.21 1.05 -2.24 -0.57 -1.11 114.28 106.88 1iok n THR 296 Ca 0.18 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1iok n THR 296 Cb 0.70 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1iok n THR 296 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iok n GLY 297 N 1.76 0.88 3.74 3.38 0.00 0.27 0.12 105.19 115.34 1iok n GLY 297 Ca -0.28 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1iok n GLY 297 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1iok s GLY 298 N -2.41 1.96 0.47 -0.02 0.00 0.12 -3.41 107.32 104.03 1iok s GLY 298 Ca 0.00 -0.91 0.15 0.00 0.00 0.00 0.00 44.72 43.97 1iok s GLY 298 CO 0.00 -0.78 2.03 0.16 0.00 0.00 0.00 173.10 174.51 1iok h ILE 314 N 3.33 0.92 0.00 0.90 -0.00 -2.02 -3.44 117.51 117.20 1iok h ILE 314 Ca -0.49 -0.09 -0.01 0.00 -0.00 0.00 0.00 64.86 64.27 1iok h ILE 314 Cb 1.18 0.63 -0.00 0.00 -0.00 0.00 0.00 36.82 38.63 1iok h ILE 314 CO 0.60 0.05 -0.03 -2.24 -0.00 0.00 0.00 178.15 176.53 1iok h ASP 315 N 0.27 0.00 -0.71 2.16 2.03 -2.02 -1.86 116.42 116.29 1iok h ASP 315 Ca 0.19 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 56.00 1iok h ASP 315 Cb 0.42 0.00 -0.32 0.00 -0.83 0.00 0.00 39.33 38.60 1iok h ASP 315 CO -0.04 0.03 -0.24 1.15 -1.03 0.00 0.00 179.24 179.11 1iok n MET 316 N -3.73 2.97 -4.32 4.15 0.00 -1.26 -5.01 117.12 109.91 1iok n MET 316 Ca -0.03 -3.73 -0.19 0.00 0.00 0.00 0.00 57.70 53.75 1iok n MET 316 Cb 0.12 -2.17 -0.10 0.00 0.00 0.00 0.00 33.22 31.07 1iok n MET 316 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1iok s LEU 317 N -3.58 2.51 0.33 3.17 0.20 -0.70 -4.70 118.68 115.91 1iok s LEU 317 Ca 0.53 -0.95 -0.13 0.00 0.69 0.00 0.00 54.13 54.27 1iok s LEU 317 Cb 0.43 -0.68 -0.08 0.00 -0.43 0.00 0.00 46.19 45.43 1iok s LEU 317 CO 0.02 -0.14 0.71 -0.83 -0.29 0.00 0.00 176.35 175.82 1iok s GLY 318 N -3.04 2.20 0.16 7.98 0.00 -1.02 -3.63 107.32 109.97 1iok s GLY 318 Ca 0.19 -0.09 0.05 0.00 0.00 0.00 0.00 44.72 44.87 1iok s GLY 318 CO 0.06 0.10 -0.11 0.50 0.00 0.00 0.00 173.10 173.65 1iok s ARG 319 N -3.23 1.14 -0.28 2.90 0.52 0.32 -2.55 118.95 117.76 1iok s ARG 319 Ca 0.52 -1.50 -0.19 0.00 -0.52 0.00 0.00 55.73 54.04 1iok s ARG 319 Cb -0.10 -0.74 0.09 0.00 0.52 0.00 0.00 34.95 34.72 1iok s ARG 319 CO 0.22 0.09 0.78 0.00 0.02 0.00 0.00 175.30 176.42 1iok s ALA 320 N -3.25 -1.93 0.21 2.13 0.00 -1.21 -2.24 121.76 115.47 1iok s ALA 320 Ca 0.19 2.23 -0.09 0.00 0.00 0.00 0.00 51.96 54.28 1iok s ALA 320 Cb 0.02 -1.42 0.24 0.00 0.00 0.00 0.00 23.12 21.97 1iok s ALA 320 CO 0.02 -0.35 1.81 -0.22 0.00 0.00 0.00 175.76 177.02 1iok h LYS 321 N 6.02 0.66 -3.39 0.00 1.63 0.22 -2.92 116.57 118.79 1iok h LYS 321 Ca -0.29 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.31 1iok h LYS 321 Cb 1.20 -0.15 -0.23 0.00 -0.60 0.00 0.00 32.23 32.45 1iok h LYS 321 CO 0.13 0.44 -0.49 0.21 -3.45 0.00 0.00 179.45 176.29 1iok s LYS 322 N -6.09 0.36 -0.16 1.90 2.36 -0.78 -0.45 119.74 116.87 1iok s LYS 322 Ca -0.13 -0.08 -0.04 0.00 -2.55 0.00 0.00 55.97 53.17 1iok s LYS 322 Cb 0.16 0.16 0.08 0.00 -1.05 0.00 0.00 37.83 37.17 1iok s LYS 322 CO 0.76 -0.07 0.21 0.08 1.55 0.00 0.00 175.35 177.87 1iok s VAL 323 N -0.66 -0.31 -0.06 4.02 1.01 -0.23 -0.36 120.40 123.80 1iok s VAL 323 Ca -0.08 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1iok s VAL 323 Cb -0.04 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1iok s VAL 323 CO 0.01 -0.08 0.10 -0.55 0.00 0.00 0.00 175.10 174.57 1iok s SER 324 N 2.32 5.89 -0.02 3.32 0.15 0.22 -1.24 113.70 124.35 1iok s SER 324 Ca 0.05 0.27 0.04 0.00 0.70 0.00 0.00 55.95 57.01 1iok s SER 324 Cb -0.14 -1.78 -0.01 0.00 -1.71 0.00 0.00 66.02 62.38 1iok s SER 324 CO -0.10 0.34 -0.14 -0.63 1.20 0.00 0.00 173.24 173.90 1iok s ILE 325 N -1.10 1.16 0.00 6.45 1.01 0.67 0.16 121.20 129.56 1iok s ILE 325 Ca 0.19 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1iok s ILE 325 Cb -0.12 -0.98 0.00 0.00 0.01 0.00 0.00 42.46 41.37 1iok s ILE 325 CO 0.09 0.33 0.00 0.59 0.00 0.00 0.00 174.94 175.95 1iok n ASN 326 N 2.91 1.42 0.09 3.58 3.02 0.45 0.46 115.26 127.19 1iok n ASN 326 Ca -0.16 -0.06 -0.13 0.00 -0.03 0.00 0.00 54.58 54.21 1iok n ASN 326 Cb 0.54 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.63 1iok n ASN 326 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1iok h LYS 327 N 0.00 -0.24 0.00 3.52 3.64 -1.92 -1.66 116.57 119.92 1iok h LYS 327 Ca 0.00 0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.27 1iok h LYS 327 Cb 0.00 0.06 -0.27 0.00 -0.41 0.00 0.00 32.23 31.61 1iok h LYS 327 CO 0.00 0.10 -0.86 -0.40 -2.27 0.00 0.00 179.45 176.01 1iok n ASP 328 N -5.04 1.18 -3.64 4.20 5.68 -1.26 -2.99 116.55 114.68 1iok n ASP 328 Ca -0.09 -2.54 -0.08 0.00 -0.50 0.00 0.00 54.79 51.58 1iok n ASP 328 Cb 0.24 -0.36 -0.07 0.00 -1.14 0.00 0.00 41.12 39.78 1iok n ASP 328 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1iok s ASN 329 N -2.32 -0.91 -0.06 -1.12 0.01 -0.85 -2.92 114.94 106.76 1iok s ASN 329 Ca 0.34 1.48 0.03 0.00 -0.71 0.00 0.00 52.86 54.00 1iok s ASN 329 Cb 0.37 1.37 0.01 0.00 0.41 0.00 0.00 41.25 43.41 1iok s ASN 329 CO -0.14 -0.24 -0.13 -0.89 -1.51 0.00 0.00 177.10 174.19 1iok s THR 330 N 1.52 1.20 -0.08 1.60 2.01 -0.09 -0.41 115.64 121.40 1iok s THR 330 Ca -0.09 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1iok s THR 330 Cb -0.05 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.35 1iok s THR 330 CO -0.18 0.37 -0.16 -0.89 -0.69 0.00 0.00 174.62 173.07 1iok s THR 331 N 0.58 2.88 -0.37 -0.82 2.01 0.12 -0.27 115.64 119.77 1iok s THR 331 Ca -0.14 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.13 1iok s THR 331 Cb -0.15 -2.14 0.10 0.00 0.01 0.00 0.00 72.50 70.32 1iok s THR 331 CO 0.04 0.57 0.09 -0.63 -0.69 0.00 0.00 174.62 174.00 1iok s ILE 332 N -0.30 2.48 0.06 1.82 1.01 0.17 0.70 121.20 127.15 1iok s ILE 332 Ca 0.02 -2.37 -0.14 0.00 0.00 0.00 0.00 60.65 58.16 1iok s ILE 332 Cb -0.13 -2.80 -0.06 0.00 0.01 0.00 0.00 42.46 39.48 1iok s ILE 332 CO 0.03 -0.63 0.45 0.68 0.00 0.00 0.00 174.94 175.46 1iok s VAL 333 N 0.85 4.99 -0.43 2.92 -7.23 0.51 -0.54 120.40 121.48 1iok s VAL 333 Ca 0.11 0.75 -0.25 0.00 -1.81 0.00 0.00 61.98 60.78 1iok s VAL 333 Cb -0.20 -3.71 0.04 0.00 0.56 0.00 0.00 36.38 33.06 1iok s VAL 333 CO -0.07 0.42 0.61 -0.67 -0.31 0.00 0.00 175.10 175.08 1iok n ASP 334 N 1.33 -6.90 0.00 4.85 4.64 -1.24 -1.86 116.55 117.37 1iok n ASP 334 Ca -0.10 0.26 0.00 0.00 -1.38 0.00 0.00 54.79 53.57 1iok n ASP 334 Cb 0.52 -3.75 0.00 0.00 -1.04 0.00 0.00 41.12 36.85 1iok n ASP 334 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1iok n GLY 335 N -0.20 -1.47 0.00 0.27 0.00 -0.95 0.20 105.19 103.04 1iok n GLY 335 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1iok n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iok n ALA 336 N -3.00 0.00 -0.67 4.61 0.00 -0.27 -3.30 120.51 117.89 1iok n ALA 336 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1iok n ALA 336 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.62 1iok n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iok n GLY 337 N -0.20 -2.40 3.63 0.00 0.00 -0.75 -4.84 105.19 100.63 1iok n GLY 337 Ca 0.00 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 1iok n GLY 337 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iok s GLU 338 N -3.55 3.30 0.34 1.61 8.01 -1.26 -4.99 118.70 122.17 1iok s GLU 338 Ca 0.57 -0.42 0.24 0.00 0.01 0.00 0.00 54.97 55.37 1iok s GLU 338 Cb -0.14 -2.89 1.18 0.00 -4.31 0.00 0.00 34.13 27.98 1iok s GLU 338 CO 0.66 0.53 1.28 1.63 0.01 0.00 0.00 175.26 179.37 1iok n LYS 339 N 2.68 -0.03 0.49 1.61 4.76 -1.26 -0.00 118.16 126.40 1iok n LYS 339 Ca -0.18 1.05 -0.19 0.00 -2.87 0.00 0.00 58.31 56.12 1iok n LYS 339 Cb 0.53 -2.02 -0.09 0.00 -1.84 0.00 0.00 35.03 31.61 1iok n LYS 339 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iok h ALA 340 N 1.39 -1.27 -0.18 7.82 0.00 -1.97 0.84 119.26 125.89 1iok h ALA 340 Ca 0.71 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.40 1iok h ALA 340 Cb 2.18 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 20.44 1iok h ALA 340 CO -0.45 -1.18 0.16 1.49 0.00 0.00 0.00 179.25 179.27 1iok h GLU 341 N -1.31 0.00 0.13 0.00 4.57 -0.83 -0.25 114.58 116.89 1iok h GLU 341 Ca -0.13 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 57.77 1iok h GLU 341 Cb 0.95 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1iok h GLU 341 CO 0.21 0.00 -1.32 0.82 -1.18 0.00 0.00 179.01 177.54 1iok h ILE 342 N 0.00 1.41 0.00 2.32 2.04 -0.88 -3.21 117.51 119.19 1iok h ILE 342 Ca 0.09 -2.99 -0.01 0.00 1.00 0.00 0.00 64.86 62.94 1iok h ILE 342 Cb 0.41 2.90 -0.00 0.00 -0.74 0.00 0.00 36.82 39.39 1iok h ILE 342 CO -0.00 0.87 -0.07 -0.33 0.00 0.00 0.00 178.15 178.62 1iok h GLU 343 N 0.07 0.00 0.12 2.37 5.08 0.24 -2.90 114.58 119.56 1iok h GLU 343 Ca -0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1iok h GLU 343 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1iok h GLU 343 CO 0.19 0.07 -0.06 0.00 -1.00 0.00 0.00 179.01 178.22 1iok h ALA 344 N 1.93 -0.16 -0.16 3.43 0.00 -1.22 -2.22 119.26 120.86 1iok h ALA 344 Ca -0.00 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1iok h ALA 344 Cb 0.72 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1iok h ALA 344 CO 0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 179.25 178.89 1iok h ARG 345 N -0.80 -0.09 -0.45 0.00 2.47 -1.56 0.35 114.38 114.29 1iok h ARG 345 Ca -0.02 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.79 1iok h ARG 345 Cb 0.55 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.87 1iok h ARG 345 CO 0.03 -0.06 0.31 0.28 0.56 0.00 0.00 179.97 181.08 1iok h VAL 346 N -0.10 0.90 -0.13 2.04 2.07 -1.60 0.11 116.25 119.54 1iok h VAL 346 Ca 0.09 -0.09 -0.19 0.00 0.82 0.00 0.00 66.70 67.34 1iok h VAL 346 Cb 0.24 0.63 0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1iok h VAL 346 CO -0.22 0.05 -0.67 0.77 0.02 0.00 0.00 177.57 177.52 1iok h SER 347 N 0.25 0.81 0.09 0.57 4.64 -0.32 -2.27 113.55 117.33 1iok h SER 347 Ca 0.21 -0.64 -0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1iok h SER 347 Cb 0.50 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1iok h SER 347 CO -0.04 1.32 -0.05 1.56 -0.87 0.00 0.00 176.83 178.75 1iok h GLN 348 N 0.37 -0.12 -0.83 4.77 7.50 0.11 -1.81 115.11 125.09 1iok h GLN 348 Ca -0.05 0.01 0.06 0.00 0.50 0.00 0.00 58.65 59.18 1iok h GLN 348 Cb 1.30 0.03 -0.06 0.00 0.05 0.00 0.00 27.48 28.80 1iok h GLN 348 CO 0.14 0.09 0.51 0.82 -1.50 0.00 0.00 178.83 178.89 1iok h ILE 349 N -0.32 1.03 0.61 2.54 2.04 -0.92 0.68 117.51 123.17 1iok h ILE 349 Ca -0.01 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1iok h ILE 349 Cb 0.27 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1iok h ILE 349 CO 0.02 0.17 -0.37 0.03 0.00 0.00 0.00 178.15 178.00 1iok h ARG 350 N 0.93 -0.89 0.00 2.37 3.08 -1.24 0.25 114.38 118.87 1iok h ARG 350 Ca 0.37 0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.44 1iok h ARG 350 Cb 0.18 0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 1iok h ARG 350 CO -0.18 -0.59 -0.15 1.96 -1.07 0.00 0.00 179.97 179.93 1iok h GLN 351 N -0.93 0.00 0.49 0.04 1.08 -1.01 0.13 115.11 114.91 1iok h GLN 351 Ca -0.07 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1iok h GLN 351 Cb 0.75 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1iok h GLN 351 CO 0.08 0.15 -0.23 0.37 -0.95 0.00 0.00 178.83 178.25 1iok h GLN 352 N 0.00 -0.63 0.00 1.46 5.75 0.10 -2.56 115.11 119.23 1iok h GLN 352 Ca -0.00 0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1iok h GLN 352 Cb 0.28 0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.97 1iok h GLN 352 CO 0.02 -0.34 -0.09 0.82 -2.65 0.00 0.00 178.83 176.59 1iok h ILE 353 N -0.85 0.33 0.00 2.39 2.04 -0.25 -1.69 117.51 119.48 1iok h ILE 353 Ca -0.07 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1iok h ILE 353 Cb 0.58 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1iok h ILE 353 CO 0.11 0.09 0.00 -0.33 0.00 0.00 0.00 178.15 178.02 1iok h GLU 354 N 0.00 0.00 0.00 2.37 5.08 -0.33 -3.08 114.58 118.62 1iok h GLU 354 Ca -0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 1iok h GLU 354 Cb 0.41 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.62 1iok h GLU 354 CO 0.01 0.00 -1.71 0.39 -1.00 0.00 0.00 179.01 176.70 1iok n GLU 355 N -2.65 2.28 -1.68 2.33 -0.58 -0.70 -4.99 120.64 114.65 1iok n GLU 355 Ca 0.00 -0.00 -0.48 0.00 -0.42 0.00 0.00 57.16 56.26 1iok n GLU 355 Cb 0.20 -1.27 -0.05 0.00 -0.57 0.00 0.00 31.44 29.76 1iok n GLU 355 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1iok n THR 356 N -2.39 0.58 0.85 2.62 -2.24 -0.82 -4.83 114.28 108.05 1iok n THR 356 Ca -0.17 -0.12 0.12 0.00 -2.27 0.00 0.00 64.05 61.61 1iok n THR 356 Cb 0.84 -1.90 0.16 0.00 -2.10 0.00 0.00 70.33 67.33 1iok n THR 356 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1iok n THR 357 N 5.28 0.09 -1.77 4.28 -1.04 -1.26 -4.89 114.28 114.96 1iok n THR 357 Ca 0.23 -0.09 -0.42 0.00 -2.04 0.00 0.00 64.05 61.73 1iok n THR 357 Cb 0.30 0.25 -0.03 0.00 -1.82 0.00 0.00 70.33 69.03 1iok n THR 357 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1iok s SER 358 N -3.37 6.50 0.00 8.00 0.15 -1.26 -4.85 113.70 118.86 1iok s SER 358 Ca 0.09 2.60 0.31 0.00 0.70 0.00 0.00 55.95 59.64 1iok s SER 358 Cb 0.16 -2.54 1.64 0.00 -1.71 0.00 0.00 66.02 63.57 1iok s SER 358 CO 0.74 -1.00 2.08 -0.90 1.20 0.00 0.00 173.24 175.36 1iok n ASP 359 N 6.74 0.41 -0.03 5.45 3.85 -1.26 -3.23 116.55 128.47 1iok n ASP 359 Ca 0.18 -1.08 -0.04 0.00 -0.71 0.00 0.00 54.79 53.15 1iok n ASP 359 Cb 0.41 -0.01 -0.01 0.00 -1.35 0.00 0.00 41.12 40.15 1iok n ASP 359 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1iok n TYR 360 N -0.70 0.00 0.78 2.11 4.01 -1.26 -4.50 117.16 117.59 1iok n TYR 360 Ca 0.22 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 58.01 1iok n TYR 360 Cb 0.19 -0.20 0.28 0.00 -0.31 0.00 0.00 39.34 39.29 1iok n TYR 360 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1iok n ASP 361 N -3.33 0.00 0.06 7.72 -0.08 -1.26 -2.72 116.55 116.95 1iok n ASP 361 Ca -0.06 -0.49 0.02 0.00 -1.51 0.00 0.00 54.79 52.76 1iok n ASP 361 Cb 0.21 0.00 0.38 0.00 2.34 0.00 0.00 41.12 44.05 1iok n ASP 361 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1iok h ARG 362 N 0.00 0.38 0.05 -0.67 -0.00 -1.78 -2.24 114.38 110.12 1iok h ARG 362 Ca 0.00 -0.07 -0.32 0.00 -0.00 0.00 0.00 59.98 59.59 1iok h ARG 362 Cb 0.00 -0.06 -0.04 0.00 -0.00 0.00 0.00 29.97 29.87 1iok h ARG 362 CO 0.00 0.41 -1.86 -1.91 -0.00 0.00 0.00 179.97 176.61 1iok n GLU 363 N -4.33 0.68 0.18 0.08 0.00 -1.10 -2.47 120.64 113.68 1iok n GLU 363 Ca 0.01 0.27 0.13 0.00 0.00 0.00 0.00 57.16 57.56 1iok n GLU 363 Cb 0.21 -1.74 0.64 0.00 0.00 0.00 0.00 31.44 30.55 1iok n GLU 363 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1iok h LYS 364 N 0.03 0.00 0.00 5.31 1.57 -1.61 0.15 116.57 122.02 1iok h LYS 364 Ca -0.36 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.23 1iok h LYS 364 Cb 2.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.31 1iok h LYS 364 CO 0.08 0.00 -1.72 -0.11 -0.57 0.00 0.00 179.45 177.12 1iok n LEU 365 N -2.38 1.64 0.23 2.94 7.94 -0.87 -4.12 117.00 122.39 1iok n LEU 365 Ca -0.01 -0.04 0.11 0.00 -1.11 0.00 0.00 56.01 54.96 1iok n LEU 365 Cb 0.09 -0.14 0.48 0.00 0.53 0.00 0.00 43.42 44.38 1iok n LEU 365 CO 0.14 0.51 0.82 1.56 -1.11 0.00 0.00 177.39 179.31 1iok h GLN 366 N 0.00 0.00 0.19 1.96 4.20 -1.16 -2.50 115.11 117.80 1iok h GLN 366 Ca -0.28 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.09 1iok h GLN 366 Cb 1.53 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.33 1iok h GLN 366 CO -0.02 0.20 -1.64 1.05 -0.67 0.00 0.00 178.83 177.75 1iok h GLU 367 N 0.00 0.40 0.00 1.46 4.11 -0.94 -3.23 114.58 116.38 1iok h GLU 367 Ca -0.00 -0.69 -0.00 0.00 0.07 0.00 0.00 59.36 58.74 1iok h GLU 367 Cb 0.72 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 1iok h GLU 367 CO 0.03 1.31 -0.02 0.07 0.07 0.00 0.00 179.01 180.47 1iok h ARG 368 N 0.11 0.00 0.03 1.06 0.11 -1.69 -2.78 114.38 111.22 1iok h ARG 368 Ca -0.30 0.00 -0.22 0.00 0.10 0.00 0.00 59.98 59.56 1iok h ARG 368 Cb 2.10 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 33.17 1iok h ARG 368 CO 0.20 0.02 -0.99 -0.24 0.10 0.00 0.00 179.97 179.06 1iok h VAL 369 N 0.00 1.56 0.00 0.08 3.04 -1.53 -3.16 116.25 116.25 1iok h VAL 369 Ca -0.00 -2.95 -0.05 0.00 -1.01 0.00 0.00 66.70 62.69 1iok h VAL 369 Cb 0.58 2.68 -0.01 0.00 -2.01 0.00 0.00 31.29 32.54 1iok h VAL 369 CO 0.00 0.85 -0.21 0.00 -1.01 0.00 0.00 177.57 177.20 1iok h ALA 370 N 0.90 1.13 0.00 3.17 0.00 -1.51 0.28 119.26 123.23 1iok h ALA 370 Ca -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1iok h ALA 370 Cb 1.68 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.44 1iok h ALA 370 CO 0.15 0.27 0.00 1.63 0.00 0.00 0.00 179.25 181.30 1iok n LYS 371 N -3.53 0.06 -0.02 0.00 4.01 -1.19 -1.91 118.16 115.58 1iok n LYS 371 Ca -0.01 0.24 -0.04 0.00 -0.51 0.00 0.00 58.31 57.99 1iok n LYS 371 Cb 0.37 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.37 1iok n LYS 371 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1iok n LEU 372 N -1.43 1.26 -1.85 -0.35 4.77 -0.45 -4.62 117.00 114.34 1iok n LEU 372 Ca 0.04 0.03 -0.16 0.00 -0.03 0.00 0.00 56.01 55.89 1iok n LEU 372 Cb 0.14 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1iok n LEU 372 CO 0.11 0.26 1.16 0.00 -1.33 0.00 0.00 177.39 177.60 1iok n ALA 373 N -3.01 4.94 0.00 -1.18 0.00 0.85 -4.10 120.51 118.02 1iok n ALA 373 Ca -0.09 -1.65 0.00 0.00 0.00 0.00 0.00 53.44 51.70 1iok n ALA 373 Cb 0.57 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1iok n ALA 373 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iok n GLY 374 N 0.20 0.00 0.00 0.00 0.00 -0.80 -4.85 105.19 99.74 1iok n GLY 374 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1iok n GLY 374 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iok n GLY 375 N 2.27 -0.75 2.63 -0.02 0.00 -1.26 -4.90 105.19 103.17 1iok n GLY 375 Ca 0.00 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 1iok n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iok s VAL 376 N -1.24 0.55 1.06 1.61 1.01 -0.65 -4.67 120.40 118.06 1iok s VAL 376 Ca 0.00 -1.38 -0.13 0.00 0.00 0.00 0.00 61.98 60.46 1iok s VAL 376 Cb 0.00 -1.42 0.16 0.00 0.00 0.00 0.00 36.38 35.12 1iok s VAL 376 CO 0.00 -0.76 0.68 0.00 0.00 0.00 0.00 175.10 175.02 1iok n ALA 377 N 4.71 -2.65 -3.14 5.51 0.00 -1.13 -3.22 120.51 120.58 1iok n ALA 377 Ca -0.00 -0.94 0.04 0.00 0.00 0.00 0.00 53.44 52.54 1iok n ALA 377 Cb 0.40 -1.89 -0.00 0.00 0.00 0.00 0.00 19.45 17.96 1iok n ALA 377 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iok s VAL 378 N -2.42 -0.71 0.17 0.00 0.11 -0.62 -2.73 120.40 114.21 1iok s VAL 378 Ca 0.63 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 59.36 1iok s VAL 378 Cb -0.21 -0.65 -0.10 0.00 -1.53 0.00 0.00 36.38 33.89 1iok s VAL 378 CO 0.64 0.00 1.59 -0.63 -3.33 0.00 0.00 175.10 173.37 1iok s ILE 379 N 2.80 2.53 -0.54 7.04 1.01 -1.25 -3.37 121.20 129.42 1iok s ILE 379 Ca 0.17 0.38 -0.09 0.00 0.00 0.00 0.00 60.65 61.12 1iok s ILE 379 Cb -0.06 -3.25 0.14 0.00 0.01 0.00 0.00 42.46 39.30 1iok s ILE 379 CO -0.24 0.03 0.42 -0.60 0.00 0.00 0.00 174.94 174.55 1iok s ARG 380 N 1.11 2.63 0.18 2.79 6.06 0.21 0.24 118.95 132.17 1iok s ARG 380 Ca 0.70 -1.99 -0.30 0.00 -2.50 0.00 0.00 55.73 51.65 1iok s ARG 380 Cb -0.45 -3.96 -0.08 0.00 0.06 0.00 0.00 34.95 30.53 1iok s ARG 380 CO 0.32 -1.20 1.10 0.14 -2.50 0.00 0.00 175.30 173.15 1iok s VAL 381 N 0.96 3.86 -0.01 7.11 -7.23 0.10 -2.52 120.40 122.67 1iok s VAL 381 Ca 0.09 1.60 -0.08 0.00 -1.81 0.00 0.00 61.98 61.78 1iok s VAL 381 Cb -0.23 -4.02 0.01 0.00 0.56 0.00 0.00 36.38 32.69 1iok s VAL 381 CO -0.02 0.28 0.17 -0.83 -0.31 0.00 0.00 175.10 174.38 1iok s GLY 382 N -0.11 -0.01 0.00 2.32 0.00 -1.25 0.34 107.32 108.61 1iok s GLY 382 Ca 0.49 0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.24 1iok s GLY 382 CO 0.35 -0.11 0.00 0.61 0.00 0.00 0.00 173.10 173.95 1iok n GLY 383 N 1.65 4.76 0.07 0.20 0.00 -1.19 -4.35 105.19 106.33 1iok n GLY 383 Ca -0.21 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 1iok n GLY 383 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1iok h MET 384 N 0.00 0.00 -5.22 1.61 2.86 -1.90 -2.00 114.93 110.28 1iok h MET 384 Ca 0.00 0.00 -0.51 0.00 -2.06 0.00 0.00 59.70 57.13 1iok h MET 384 Cb 0.00 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 31.52 1iok h MET 384 CO 0.00 0.25 -0.58 0.95 1.06 0.00 0.00 176.91 178.59 1iok s THR 385 N -2.13 1.13 0.62 2.22 -4.23 -1.26 -4.90 115.64 107.09 1iok s THR 385 Ca -0.15 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 58.69 1iok s THR 385 Cb 0.02 -2.69 0.37 0.00 1.34 0.00 0.00 72.50 71.55 1iok s THR 385 CO 0.28 0.00 2.18 -0.33 -0.54 0.00 0.00 174.62 176.21 1iok h GLU 386 N 1.98 0.00 0.00 3.99 5.08 -1.95 0.71 114.58 124.39 1iok h GLU 386 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1iok h GLU 386 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1iok h GLU 386 CO 0.68 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 177.80 1iok n ILE 387 N -3.50 0.01 0.01 3.13 5.41 -1.26 -2.38 119.36 120.79 1iok n ILE 387 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.72 1iok n ILE 387 Cb 0.22 -0.58 -0.01 0.00 -0.71 0.00 0.00 39.64 38.55 1iok n ILE 387 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1iok n GLU 388 N -1.01 0.14 -0.18 0.38 2.13 0.24 -4.38 120.64 117.96 1iok n GLU 388 Ca 0.20 0.06 -0.02 0.00 0.66 0.00 0.00 57.16 58.05 1iok n GLU 388 Cb 0.10 -0.74 0.08 0.00 0.27 0.00 0.00 31.44 31.14 1iok n GLU 388 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1iok h VAL 389 N -0.26 0.80 0.00 6.31 2.07 -1.47 0.33 116.25 124.02 1iok h VAL 389 Ca 0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1iok h VAL 389 Cb 0.26 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1iok h VAL 389 CO 0.00 0.07 0.00 0.11 0.02 0.00 0.00 177.57 177.77 1iok h LYS 390 N 0.37 0.00 0.03 1.57 1.57 -1.72 -1.39 116.57 117.01 1iok h LYS 390 Ca 0.27 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.87 1iok h LYS 390 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1iok h LYS 390 CO -0.27 0.00 -0.92 1.49 -0.57 0.00 0.00 179.45 179.18 1iok h GLU 391 N 0.00 0.07 0.00 3.15 4.22 -0.87 -3.34 114.58 117.82 1iok h GLU 391 Ca 0.00 -0.12 -0.06 0.00 0.08 0.00 0.00 59.36 59.26 1iok h GLU 391 Cb 0.38 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1iok h GLU 391 CO 0.00 1.06 -0.27 0.00 -2.18 0.00 0.00 179.01 177.61 1iok h ARG 392 N -0.80 0.00 0.00 1.92 3.08 -0.44 -2.52 114.38 115.62 1iok h ARG 392 Ca -0.23 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.77 1iok h ARG 392 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1iok h ARG 392 CO -0.07 0.27 -0.23 -0.22 -1.07 0.00 0.00 179.97 178.66 1iok h LYS 393 N 0.00 0.00 0.10 0.04 3.64 -1.40 -0.24 116.57 118.71 1iok h LYS 393 Ca -0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 1iok h LYS 393 Cb 0.73 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1iok h LYS 393 CO 0.04 0.23 -1.17 -0.44 -2.27 0.00 0.00 179.45 175.83 1iok h ASP 394 N 0.00 0.37 -0.13 4.20 3.32 -1.57 -1.76 116.42 120.85 1iok h ASP 394 Ca -0.00 -0.38 -0.14 0.00 0.02 0.00 0.00 57.03 56.53 1iok h ASP 394 Cb 0.47 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1iok h ASP 394 CO 0.03 1.28 -0.45 -0.09 -1.72 0.00 0.00 179.24 178.29 1iok h ARG 395 N 0.08 0.53 -0.07 3.56 2.43 -1.35 -1.22 114.38 118.33 1iok h ARG 395 Ca -0.11 -0.40 -0.01 0.00 -0.81 0.00 0.00 59.98 58.65 1iok h ARG 395 Cb 1.89 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 31.51 1iok h ARG 395 CO 0.19 1.02 -0.01 0.28 -1.51 0.00 0.00 179.97 179.94 1iok h VAL 396 N 0.14 1.27 -0.21 0.20 2.07 -1.15 0.74 116.25 119.32 1iok h VAL 396 Ca -0.02 -0.86 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1iok h VAL 396 Cb 1.08 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1iok h VAL 396 CO 0.09 0.24 0.13 -0.78 0.02 0.00 0.00 177.57 177.27 1iok h ASP 397 N -0.18 0.25 0.61 0.57 1.82 -1.38 0.35 116.42 118.46 1iok h ASP 397 Ca 0.02 -0.01 -0.25 0.00 -0.39 0.00 0.00 57.03 56.40 1iok h ASP 397 Cb 0.38 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.33 1iok h ASP 397 CO 0.01 0.19 -1.12 0.44 -1.61 0.00 0.00 179.24 177.14 1iok h ASP 398 N 0.29 0.38 0.98 2.28 5.19 -0.97 -3.20 116.42 121.36 1iok h ASP 398 Ca 0.08 -0.38 -0.18 0.00 -0.62 0.00 0.00 57.03 55.93 1iok h ASP 398 Cb -0.01 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.35 1iok h ASP 398 CO -0.02 1.25 -1.09 0.00 -3.12 0.00 0.00 179.24 176.27 1iok h ALA 399 N 0.70 0.60 0.00 3.45 0.00 -0.24 -3.26 119.26 120.51 1iok h ALA 399 Ca -0.10 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1iok h ALA 399 Cb 1.82 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1iok h ALA 399 CO 0.18 1.04 0.00 -0.11 0.00 0.00 0.00 179.25 180.36 1iok n LEU 400 N -3.14 0.33 -0.02 0.00 7.94 0.12 -2.46 117.00 119.78 1iok n LEU 400 Ca -0.05 0.55 -0.07 0.00 -1.11 0.00 0.00 56.01 55.33 1iok n LEU 400 Cb 0.87 -0.46 -0.13 0.00 0.53 0.00 0.00 43.42 44.23 1iok n LEU 400 CO 0.44 -0.19 -0.51 0.59 -1.11 0.00 0.00 177.39 176.61 1iok n ASN 401 N -1.83 0.83 0.08 1.96 3.02 -1.21 -2.81 115.26 115.30 1iok n ASN 401 Ca 0.05 0.39 -0.12 0.00 -0.03 0.00 0.00 54.58 54.87 1iok n ASN 401 Cb 0.32 0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.44 1iok n ASN 401 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1iok h ALA 402 N 1.07 0.33 0.04 5.41 0.00 -1.56 -3.18 119.26 121.36 1iok h ALA 402 Ca -0.28 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 53.86 1iok h ALA 402 Cb 1.95 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1iok h ALA 402 CO 0.07 0.90 -0.02 1.15 0.00 0.00 0.00 179.25 181.36 1iok h THR 403 N 0.14 1.37 -0.19 0.00 2.02 -1.62 -1.19 112.91 113.44 1iok h THR 403 Ca -0.08 -1.53 0.06 0.00 0.77 0.00 0.00 66.41 65.62 1iok h THR 403 Cb 1.68 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 70.44 1iok h THR 403 CO 0.16 0.38 0.48 -0.09 0.37 0.00 0.00 175.52 176.82 1iok h ARG 404 N -0.75 0.00 0.00 6.66 2.43 -1.63 0.93 114.38 122.02 1iok h ARG 404 Ca -0.01 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.12 1iok h ARG 404 Cb 0.65 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1iok h ARG 404 CO 0.01 0.00 -1.98 0.00 -1.51 0.00 0.00 179.97 176.49 1iok n ALA 405 N -2.02 2.64 0.08 2.80 0.00 -1.19 -4.03 120.51 118.79 1iok n ALA 405 Ca 0.03 -0.59 -0.09 0.00 0.00 0.00 0.00 53.44 52.79 1iok n ALA 405 Cb 0.58 -0.71 0.01 0.00 0.00 0.00 0.00 19.45 19.33 1iok n ALA 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iok h ALA 406 N 1.89 0.56 0.00 0.00 0.00 0.21 -3.21 119.26 118.70 1iok h ALA 406 Ca -0.06 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.16 1iok h ALA 406 Cb 1.14 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1iok h ALA 406 CO 0.00 0.86 -0.05 -0.39 0.00 0.00 0.00 179.25 179.68 1iok h VAL 407 N 0.15 0.08 -0.17 0.00 -1.51 -1.24 0.11 116.25 113.66 1iok h VAL 407 Ca -0.04 -1.02 -0.08 0.00 -1.23 0.00 0.00 66.70 64.34 1iok h VAL 407 Cb 1.44 1.94 -0.00 0.00 -2.13 0.00 0.00 31.29 32.54 1iok h VAL 407 CO 0.13 0.04 -0.18 1.56 -1.23 0.00 0.00 177.57 177.89 1iok h GLN 408 N 0.00 0.43 0.00 5.19 4.20 -1.69 -3.39 115.11 119.86 1iok h GLN 408 Ca -0.00 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1iok h GLN 408 Cb 0.94 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1iok h GLN 408 CO 0.01 0.80 -0.01 0.39 -0.67 0.00 0.00 178.83 179.35 1iok n GLU 409 N -4.49 1.15 0.00 1.46 1.02 -1.25 -5.10 120.64 113.44 1iok n GLU 409 Ca -0.06 -0.91 0.00 0.00 -0.02 0.00 0.00 57.16 56.18 1iok n GLU 409 Cb 0.39 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 31.11 1iok n GLU 409 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1iok n GLY 410 N -0.20 -3.10 3.36 0.62 0.00 0.37 -4.70 105.19 101.54 1iok n GLY 410 Ca 0.00 -1.85 -0.24 0.00 0.00 0.00 0.00 46.02 43.92 1iok n GLY 410 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1iok s ILE 411 N -0.76 2.03 0.06 -0.61 -4.36 0.21 -1.67 121.20 116.10 1iok s ILE 411 Ca 0.00 -1.90 -0.07 0.00 -0.26 0.00 0.00 60.65 58.42 1iok s ILE 411 Cb 0.00 -1.92 -0.01 0.00 1.25 0.00 0.00 42.46 41.79 1iok s ILE 411 CO 0.00 -0.18 0.15 0.54 0.24 0.00 0.00 174.94 175.68 1iok s VAL 412 N -1.72 0.14 0.12 8.37 0.11 -0.71 -1.15 120.40 125.55 1iok s VAL 412 Ca 0.16 -1.12 -0.34 0.00 -2.93 0.00 0.00 61.98 57.75 1iok s VAL 412 Cb -0.07 -1.09 -0.17 0.00 -1.53 0.00 0.00 36.38 33.51 1iok s VAL 412 CO 0.07 -0.62 1.01 1.33 -3.33 0.00 0.00 175.10 173.57 1iok n VAL 413 N 0.42 0.78 -1.36 2.04 0.24 -1.26 0.14 118.33 119.33 1iok n VAL 413 Ca -0.17 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1iok n VAL 413 Cb 0.60 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.58 1iok n VAL 413 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1iok n GLY 414 N 1.87 0.88 2.19 7.63 0.00 0.23 -3.57 105.19 114.43 1iok n GLY 414 Ca 0.17 -1.89 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 1iok n GLY 414 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iok n GLY 415 N 5.00 0.53 2.24 -0.02 0.00 -1.26 -3.04 105.19 108.63 1iok n GLY 415 Ca 0.00 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 1iok n GLY 415 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iok n GLY 416 N -2.23 0.76 0.10 -0.02 0.00 -1.26 -4.60 105.19 97.94 1iok n GLY 416 Ca -0.02 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 1iok n GLY 416 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iok h VAL 417 N 0.00 0.84 -0.62 1.61 2.07 -1.75 -3.33 116.25 115.07 1iok h VAL 417 Ca -0.20 -2.64 0.13 0.00 0.82 0.00 0.00 66.70 64.81 1iok h VAL 417 Cb 0.77 2.49 -0.11 0.00 -1.52 0.00 0.00 31.29 32.92 1iok h VAL 417 CO 0.27 0.64 -0.09 0.00 0.02 0.00 0.00 177.57 178.41 1iok h ALA 418 N 0.71 0.49 -0.18 1.67 0.00 -1.79 0.13 119.26 120.29 1iok h ALA 418 Ca -0.31 0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1iok h ALA 418 Cb 2.01 0.42 -0.02 0.00 0.00 0.00 0.00 17.79 20.20 1iok h ALA 418 CO 0.09 -0.42 0.08 -0.07 0.00 0.00 0.00 179.25 178.93 1iok h LEU 419 N 0.04 0.11 -1.13 0.00 4.07 -1.88 -0.46 115.31 116.07 1iok h LEU 419 Ca 0.31 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.22 1iok h LEU 419 Cb 0.49 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.20 1iok h LEU 419 CO -0.60 0.09 -0.00 0.58 -1.08 0.00 0.00 178.44 177.43 1iok h VAL 420 N 0.18 1.21 0.14 1.22 2.07 -1.39 -2.15 116.25 117.53 1iok h VAL 420 Ca 0.07 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 1iok h VAL 420 Cb 0.03 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1iok h VAL 420 CO -0.06 0.30 -0.07 1.56 0.02 0.00 0.00 177.57 179.32 1iok h GLN 421 N 0.58 -0.18 -0.13 1.57 1.08 -0.40 -3.09 115.11 114.53 1iok h GLN 421 Ca 0.12 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.37 1iok h GLN 421 Cb 0.37 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1iok h GLN 421 CO 0.01 0.19 0.12 0.78 -0.95 0.00 0.00 178.83 178.98 1iok h GLY 422 N -0.59 0.00 2.00 3.46 0.00 -1.02 0.13 103.07 107.04 1iok h GLY 422 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1iok h GLY 422 CO 0.03 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.57 1iok h ALA 423 N 1.90 1.00 -0.12 3.60 0.00 -1.30 -1.87 119.26 122.47 1iok h ALA 423 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1iok h ALA 423 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1iok h ALA 423 CO -0.00 0.00 -0.11 0.87 0.00 0.00 0.00 179.25 180.01 1iok h LYS 424 N 0.00 0.18 -0.30 0.00 1.57 -0.82 -2.58 116.57 114.62 1iok h LYS 424 Ca 0.00 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1iok h LYS 424 Cb 0.13 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1iok h LYS 424 CO 0.00 0.30 0.20 0.28 -0.57 0.00 0.00 179.45 179.66 1iok h VAL 425 N 0.17 0.97 0.00 0.50 2.07 -1.52 -1.94 116.25 116.50 1iok h VAL 425 Ca 0.04 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1iok h VAL 425 Cb 0.31 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1iok h VAL 425 CO 0.02 0.04 0.00 0.18 0.02 0.00 0.00 177.57 177.83 1iok n LEU 426 N -4.49 0.12 0.11 2.57 4.77 -0.97 -4.27 117.00 114.84 1iok n LEU 426 Ca 0.03 -0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 1iok n LEU 426 Cb 0.22 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.17 1iok n LEU 426 CO 0.35 0.03 0.56 -0.08 -1.33 0.00 0.00 177.39 176.92 1iok h GLU 427 N 0.03 -0.65 -0.01 3.23 4.57 -1.53 -3.23 114.58 116.99 1iok h GLU 427 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1iok h GLU 427 Cb 0.06 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1iok h GLU 427 CO 0.00 -0.43 -0.73 0.41 -1.18 0.00 0.00 179.01 177.08 1iok n GLY 428 N -1.47 -0.47 3.51 1.92 0.00 -1.26 -5.01 105.19 102.40 1iok n GLY 428 Ca -0.07 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.93 1iok n GLY 428 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1iok n LEU 429 N -0.79 0.97 -3.77 0.99 7.94 -1.22 -5.02 117.00 116.10 1iok n LEU 429 Ca 0.06 0.94 -0.13 0.00 -1.11 0.00 0.00 56.01 55.77 1iok n LEU 429 Cb 0.38 -1.20 -0.09 0.00 0.53 0.00 0.00 43.42 43.04 1iok n LEU 429 CO 0.35 -2.41 0.00 -0.44 -1.11 0.00 0.00 177.39 173.78 1iok s SER 430 N -0.91 -0.21 0.55 1.96 0.01 -1.26 -5.08 113.70 108.77 1iok s SER 430 Ca 0.64 0.18 0.07 0.00 1.31 0.00 0.00 55.95 58.15 1iok s SER 430 Cb -0.58 0.38 0.05 0.00 0.21 0.00 0.00 66.02 66.07 1iok s SER 430 CO 0.57 -0.37 0.49 -0.83 0.41 0.00 0.00 173.24 173.51 1iok s GLY 431 N -1.02 2.21 0.27 3.44 0.00 -1.26 -5.01 107.32 105.95 1iok s GLY 431 Ca -0.11 -1.49 0.19 0.00 0.00 0.00 0.00 44.72 43.31 1iok s GLY 431 CO 0.03 -1.87 1.57 0.00 0.00 0.00 0.00 173.10 172.83 1iok n ALA 432 N -1.87 1.08 -3.60 3.20 0.00 -1.26 -4.78 120.51 113.28 1iok n ALA 432 Ca 0.03 0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.57 1iok n ALA 432 Cb 0.64 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 1iok n ALA 432 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1iok s ASN 433 N -3.89 -0.28 0.33 0.00 4.22 -1.26 -5.00 114.94 109.06 1iok s ASN 433 Ca -0.02 -0.15 0.12 0.00 -2.14 0.00 0.00 52.86 50.67 1iok s ASN 433 Cb 0.06 0.40 0.98 0.00 1.28 0.00 0.00 41.25 43.97 1iok s ASN 433 CO 0.18 -0.69 1.68 0.28 -2.04 0.00 0.00 177.10 176.51 1iok h SER 434 N 2.00 0.51 0.08 3.54 0.02 -1.98 0.47 113.55 118.19 1iok h SER 434 Ca -0.23 0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1iok h SER 434 Cb 1.23 0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1iok h SER 434 CO 0.29 -0.06 -0.04 0.44 -1.14 0.00 0.00 176.83 176.32 1iok h ASP 435 N 0.39 -0.09 -0.18 3.07 5.19 -1.96 0.10 116.42 122.95 1iok h ASP 435 Ca 0.69 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.94 1iok h ASP 435 Cb 1.47 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 41.00 1iok h ASP 435 CO -0.57 0.10 0.12 -0.61 -3.12 0.00 0.00 179.24 175.17 1iok h GLN 436 N -0.29 0.24 -0.46 3.56 4.15 -0.48 -1.19 115.11 120.64 1iok h GLN 436 Ca -0.01 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.26 1iok h GLN 436 Cb 0.25 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1iok h GLN 436 CO 0.02 0.16 -0.22 -0.44 -1.93 0.00 0.00 178.83 176.42 1iok h ASP 437 N 0.25 1.00 -0.40 -0.69 3.32 0.12 -2.94 116.42 117.08 1iok h ASP 437 Ca 0.07 -0.40 0.03 0.00 0.02 0.00 0.00 57.03 56.74 1iok h ASP 437 Cb -0.03 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 1iok h ASP 437 CO -0.01 1.18 0.20 0.00 -1.72 0.00 0.00 179.24 178.88 1iok h ALA 438 N 0.85 0.49 -0.79 3.45 0.00 0.24 -1.15 119.26 122.36 1iok h ALA 438 Ca 0.10 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1iok h ALA 438 Cb 0.80 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 1iok h ALA 438 CO 0.07 -0.16 0.51 0.78 0.00 0.00 0.00 179.25 180.45 1iok h GLY 439 N 0.40 0.99 1.03 0.00 0.00 -1.33 -0.38 103.07 103.79 1iok h GLY 439 Ca 0.17 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 47.10 1iok h GLY 439 CO -0.12 0.15 -0.23 -2.22 0.00 0.00 0.00 176.54 174.12 1iok h ILE 440 N 0.67 1.28 -0.10 2.60 2.04 -1.07 -3.04 117.51 119.89 1iok h ILE 440 Ca 0.37 -1.38 -0.11 0.00 1.00 0.00 0.00 64.86 64.74 1iok h ILE 440 Cb 0.53 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1iok h ILE 440 CO -0.14 0.46 -0.42 0.00 0.00 0.00 0.00 178.15 178.05 1iok h ALA 441 N 0.79 1.11 0.04 1.87 0.00 -0.46 -1.35 119.26 121.27 1iok h ALA 441 Ca 0.08 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1iok h ALA 441 Cb 0.80 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1iok h ALA 441 CO 0.07 0.59 -0.14 0.82 0.00 0.00 0.00 179.25 180.58 1iok h ILE 442 N 0.19 0.65 -0.58 0.00 2.04 -1.05 -1.57 117.51 117.20 1iok h ILE 442 Ca 0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.83 1iok h ILE 442 Cb 0.82 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1iok h ILE 442 CO 0.06 0.00 0.19 0.40 0.00 0.00 0.00 178.15 178.80 1iok h ILE 443 N -0.26 1.22 -0.19 -0.67 1.08 -1.39 0.16 117.51 117.45 1iok h ILE 443 Ca 0.04 -0.75 0.05 0.00 -0.39 0.00 0.00 64.86 63.81 1iok h ILE 443 Cb 0.30 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1iok h ILE 443 CO -0.11 0.29 0.16 -0.09 -0.69 0.00 0.00 178.15 177.71 1iok h ARG 444 N 0.84 0.00 0.00 2.37 2.43 -0.37 -2.64 114.38 117.01 1iok h ARG 444 Ca 0.19 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.99 1iok h ARG 444 Cb 0.23 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.71 1iok h ARG 444 CO -0.01 0.00 -2.38 0.54 -1.51 0.00 0.00 179.97 176.61 1iok n ARG 445 N -4.17 0.68 0.18 0.20 1.74 -0.64 -4.36 116.66 110.27 1iok n ARG 445 Ca 0.02 0.05 0.05 0.00 -0.77 0.00 0.00 57.85 57.20 1iok n ARG 445 Cb 0.29 -1.53 0.51 0.00 -1.02 0.00 0.00 32.46 30.71 1iok n ARG 445 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1iok h ALA 446 N 0.70 1.76 0.00 7.54 0.00 -0.45 -1.85 119.26 126.96 1iok h ALA 446 Ca -0.55 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1iok h ALA 446 Cb 2.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.88 1iok h ALA 446 CO -0.00 0.18 0.00 -0.07 0.00 0.00 0.00 179.25 179.36 1iok h LEU 447 N 0.14 0.00 -0.65 0.00 3.38 -1.68 -1.16 115.31 115.34 1iok h LEU 447 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1iok h LEU 447 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1iok h LEU 447 CO 0.01 0.00 -0.02 -0.62 0.09 0.00 0.00 178.44 177.89 1iok n GLU 448 N -2.74 1.38 0.35 1.13 1.02 -0.69 -4.02 120.64 117.07 1iok n GLU 448 Ca -0.01 -0.65 -0.14 0.00 -0.02 0.00 0.00 57.16 56.34 1iok n GLU 448 Cb 0.14 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 30.00 1iok n GLU 448 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1iok h ALA 449 N 4.17 -1.12 -0.07 0.62 0.00 -1.34 -2.01 119.26 119.51 1iok h ALA 449 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1iok h ALA 449 Cb 0.37 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1iok h ALA 449 CO 0.00 -1.06 0.13 -1.35 0.00 0.00 0.00 179.25 176.97 1iok h PRO 450 N -1.00 0.00 0.00 0.00 0.11 -1.79 -1.58 132.00 127.74 1iok h PRO 450 Ca -0.09 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 1iok h PRO 450 Cb 0.69 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.80 1iok h PRO 450 CO 0.15 0.00 -0.29 1.98 -0.21 0.00 0.00 178.00 179.63 1iok h MET 451 N 0.00 0.00 -0.79 1.05 4.05 -1.75 -2.83 114.93 114.66 1iok h MET 451 Ca 0.03 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.55 1iok h MET 451 Cb 0.29 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.03 1iok h MET 451 CO -0.00 0.63 0.52 0.00 0.23 0.00 0.00 176.91 178.28 1iok h ARG 452 N -1.00 0.69 0.91 0.39 3.08 -1.16 0.32 114.38 117.60 1iok h ARG 452 Ca -0.07 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 1iok h ARG 452 Cb 0.74 -0.16 0.01 0.00 0.08 0.00 0.00 29.97 30.64 1iok h ARG 452 CO -0.04 0.46 -0.44 0.37 -1.07 0.00 0.00 179.97 179.25 1iok h GLN 453 N 0.71 -1.17 -1.06 0.04 5.75 -1.42 0.36 115.11 118.32 1iok h GLN 453 Ca 0.37 0.08 0.28 0.00 -0.15 0.00 0.00 58.65 59.23 1iok h GLN 453 Cb 0.48 0.27 -0.08 0.00 1.07 0.00 0.00 27.48 29.22 1iok h GLN 453 CO -0.14 -0.78 0.71 0.82 -2.65 0.00 0.00 178.83 176.79 1iok h ILE 454 N -1.29 0.50 -0.00 2.39 2.04 -1.10 0.16 117.51 120.20 1iok h ILE 454 Ca -0.12 -0.09 -0.12 0.00 1.00 0.00 0.00 64.86 65.53 1iok h ILE 454 Cb 0.94 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1iok h ILE 454 CO 0.20 0.05 -0.45 0.00 0.00 0.00 0.00 178.15 177.95 1iok h ALA 455 N 1.56 0.06 -0.53 1.87 0.00 -0.47 -3.19 119.26 118.55 1iok h ALA 455 Ca 0.57 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1iok h ALA 455 Cb 1.71 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.50 1iok h ALA 455 CO -0.19 0.24 0.33 0.93 0.00 0.00 0.00 179.25 180.55 1iok h GLU 456 N -0.27 0.72 -0.49 0.00 4.39 0.22 -0.77 114.58 118.37 1iok h GLU 456 Ca -0.06 -0.06 0.11 0.00 0.34 0.00 0.00 59.36 59.69 1iok h GLU 456 Cb 1.18 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 1iok h GLU 456 CO 0.09 0.51 0.34 -0.91 -1.16 0.00 0.00 179.01 177.88 1iok h ASN 457 N 0.72 0.17 1.08 1.42 2.35 -0.91 0.86 115.58 121.27 1iok h ASN 457 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1iok h ASN 457 Cb -0.03 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.31 1iok h ASN 457 CO -0.04 0.10 -0.26 0.00 -1.65 0.00 0.00 177.43 175.59 1iok n ALA 458 N -2.57 2.64 0.00 -0.83 0.00 -0.71 -4.80 120.51 114.24 1iok n ALA 458 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1iok n ALA 458 Cb 0.43 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1iok n ALA 458 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iok n GLY 459 N 1.38 0.59 3.85 0.00 0.00 0.29 -5.08 105.19 106.23 1iok n GLY 459 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1iok n GLY 459 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iok s VAL 460 N -2.00 4.91 -0.83 1.61 1.01 -0.38 -4.95 120.40 119.77 1iok s VAL 460 Ca 0.00 0.73 -0.25 0.00 0.00 0.00 0.00 61.98 62.46 1iok s VAL 460 Cb 0.00 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1iok s VAL 460 CO 0.00 0.23 1.86 -0.62 0.00 0.00 0.00 175.10 176.58 1iok s ASP 461 N -1.76 5.32 0.63 3.32 -1.08 -1.26 -2.70 116.67 119.14 1iok s ASP 461 Ca 0.37 -0.46 0.18 0.00 -0.52 0.00 0.00 52.55 52.12 1iok s ASP 461 Cb -0.15 -2.55 0.79 0.00 -1.46 0.00 0.00 42.92 39.55 1iok s ASP 461 CO 0.19 -2.52 1.38 1.23 0.52 0.00 0.00 175.17 175.98 1iok h GLY 462 N 16.92 0.00 1.81 2.66 0.00 -1.86 0.68 103.07 123.28 1iok h GLY 462 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1iok h GLY 462 CO 1.23 0.00 -0.57 0.00 0.00 0.00 0.00 176.54 177.20 1iok h ALA 463 N 0.61 0.92 0.00 3.60 0.00 -1.90 -1.96 119.26 120.52 1iok h ALA 463 Ca 0.19 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1iok h ALA 463 Cb 1.96 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1iok h ALA 463 CO -0.00 0.70 -0.00 0.28 0.00 0.00 0.00 179.25 180.23 1iok h VAL 464 N 0.15 1.36 -0.89 0.00 2.07 -0.03 -2.58 116.25 116.34 1iok h VAL 464 Ca -0.00 -2.02 0.24 0.00 0.82 0.00 0.00 66.70 65.74 1iok h VAL 464 Cb 1.05 2.56 -0.05 0.00 -1.52 0.00 0.00 31.29 33.33 1iok h VAL 464 CO 0.09 0.46 0.62 0.58 0.02 0.00 0.00 177.57 179.33 1iok h VAL 465 N -1.00 0.60 0.01 2.57 2.07 -1.50 -0.93 116.25 118.08 1iok h VAL 465 Ca -0.00 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.33 1iok h VAL 465 Cb 0.75 0.43 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1iok h VAL 465 CO 0.00 0.03 -0.54 0.00 0.02 0.00 0.00 177.57 177.08 1iok h ALA 466 N 1.59 0.05 -0.76 1.67 0.00 -1.41 -3.02 119.26 117.37 1iok h ALA 466 Ca 0.44 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1iok h ALA 466 Cb 1.48 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 1iok h ALA 466 CO -0.08 0.29 0.50 0.78 0.00 0.00 0.00 179.25 180.74 1iok h GLY 467 N -0.24 1.07 0.64 0.00 0.00 -0.78 0.27 103.07 104.02 1iok h GLY 467 Ca -0.07 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 1iok h GLY 467 CO 0.10 0.39 -0.01 0.50 0.00 0.00 0.00 176.54 177.52 1iok h LYS 468 N 1.02 -0.03 0.00 4.80 1.57 -1.37 -1.55 116.57 121.00 1iok h LYS 468 Ca 0.28 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.04 1iok h LYS 468 Cb -0.11 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1iok h LYS 468 CO -0.06 0.33 -0.09 0.28 -0.57 0.00 0.00 179.45 179.34 1iok h VAL 469 N -0.40 0.62 0.04 0.50 2.07 -1.36 -1.57 116.25 116.16 1iok h VAL 469 Ca -0.00 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1iok h VAL 469 Cb 0.38 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1iok h VAL 469 CO 0.01 0.09 -0.02 0.03 0.02 0.00 0.00 177.57 177.70 1iok h ARG 470 N 0.00 -0.05 0.00 1.57 3.08 -0.73 -3.07 114.38 115.18 1iok h ARG 470 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1iok h ARG 470 Cb 0.24 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1iok h ARG 470 CO 0.01 0.57 0.00 0.39 -1.07 0.00 0.00 179.97 179.87 1iok n GLU 471 N -4.80 0.64 -0.52 0.04 1.02 -0.60 -4.83 120.64 111.58 1iok n GLU 471 Ca -0.09 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.76 1iok n GLU 471 Cb 0.32 -1.45 0.24 0.00 -0.02 0.00 0.00 31.44 30.53 1iok n GLU 471 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1iok s SER 472 N -1.93 1.29 0.00 1.62 0.15 -0.61 -4.99 113.70 109.22 1iok s SER 472 Ca 0.27 1.73 0.00 0.00 0.70 0.00 0.00 55.95 58.65 1iok s SER 472 Cb 0.12 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1iok s SER 472 CO 0.21 -4.05 0.00 -1.20 1.20 0.00 0.00 173.24 169.40 1iok n SER 473 N -4.83 2.85 -4.61 5.45 7.64 -1.26 -4.99 113.62 113.87 1iok n SER 473 Ca 0.05 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.50 1iok n SER 473 Cb 0.53 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.72 1iok n SER 473 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1iok s ASP 474 N -3.69 6.65 0.00 6.43 2.15 -1.26 -4.88 116.67 122.07 1iok s ASP 474 Ca 0.00 0.65 0.00 0.00 0.43 0.00 0.00 52.55 53.63 1iok s ASP 474 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.07 1iok s ASP 474 CO 0.00 -1.20 0.63 0.29 -0.17 0.00 0.00 175.17 174.72 1iok n LYS 475 N 7.68 0.00 -0.18 4.34 4.76 -1.26 0.32 118.16 133.81 1iok n LYS 475 Ca 0.13 0.20 0.09 0.00 -2.87 0.00 0.00 58.31 55.85 1iok n LYS 475 Cb 0.48 -1.67 0.17 0.00 -1.84 0.00 0.00 35.03 32.17 1iok n LYS 475 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1iok n ALA 476 N -1.13 2.46 -2.71 7.82 0.00 -1.26 -4.98 120.51 120.71 1iok n ALA 476 Ca 0.00 -2.37 -0.37 0.00 0.00 0.00 0.00 53.44 50.70 1iok n ALA 476 Cb 0.17 -0.46 -0.07 0.00 0.00 0.00 0.00 19.45 19.09 1iok n ALA 476 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1iok s PHE 477 N -2.67 3.43 0.00 0.00 5.36 0.15 -1.11 117.98 123.14 1iok s PHE 477 Ca 0.32 0.60 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 1iok s PHE 477 Cb 0.27 -2.40 0.00 0.00 -0.34 0.00 0.00 43.02 40.56 1iok s PHE 477 CO 0.05 0.16 0.00 0.41 -1.46 0.00 0.00 175.22 174.38 1iok n GLY 478 N 3.56 4.65 2.80 13.12 0.00 -0.65 -4.86 105.19 123.81 1iok n GLY 478 Ca -0.11 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 1iok n GLY 478 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iok s PHE 479 N 0.64 0.16 -0.49 1.61 5.36 -1.26 -2.82 117.98 121.18 1iok s PHE 479 Ca 0.00 0.06 -0.11 0.00 -0.96 0.00 0.00 56.93 55.92 1iok s PHE 479 Cb 0.00 -0.31 0.12 0.00 -0.34 0.00 0.00 43.02 42.49 1iok s PHE 479 CO 0.00 -0.10 0.40 1.21 -1.46 0.00 0.00 175.22 175.26 1iok s ASN 480 N 1.01 5.86 0.62 6.13 2.47 -0.21 -4.93 114.94 125.89 1iok s ASN 480 Ca -0.09 -1.88 0.38 0.00 0.42 0.00 0.00 52.86 51.69 1iok s ASN 480 Cb -0.13 -2.07 2.08 0.00 -1.45 0.00 0.00 41.25 39.68 1iok s ASN 480 CO -0.02 -0.75 2.28 0.00 -3.72 0.00 0.00 177.10 174.89 1iok h ALA 481 N 8.58 1.16 -0.44 1.71 0.00 -1.92 1.85 119.26 130.20 1iok h ALA 481 Ca -0.24 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1iok h ALA 481 Cb 1.08 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1iok h ALA 481 CO 0.92 0.02 0.12 0.37 0.00 0.00 0.00 179.25 180.67 1iok h GLN 482 N 0.00 0.69 0.00 0.00 5.75 -1.95 -3.30 115.11 116.30 1iok h GLN 482 Ca -0.00 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1iok h GLN 482 Cb 0.09 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.54 1iok h GLN 482 CO 0.00 0.69 -1.27 0.25 -2.65 0.00 0.00 178.83 175.85 1iok n THR 483 N -4.54 0.00 -2.55 2.39 -2.24 -1.00 -5.03 114.28 101.32 1iok n THR 483 Ca 0.00 -0.25 -0.05 0.00 -2.27 0.00 0.00 64.05 61.48 1iok n THR 483 Cb 0.20 0.42 0.01 0.00 -2.10 0.00 0.00 70.33 68.86 1iok n THR 483 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1iok n GLU 484 N -1.74 -1.39 -4.20 -0.78 2.13 0.63 -5.06 120.64 110.22 1iok n GLU 484 Ca -0.01 0.20 -0.19 0.00 0.66 0.00 0.00 57.16 57.82 1iok n GLU 484 Cb 0.25 -3.51 -0.12 0.00 0.27 0.00 0.00 31.44 28.34 1iok n GLU 484 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 1iok s GLU 485 N -4.97 0.89 0.36 5.31 -1.05 -1.09 -4.91 118.70 113.24 1iok s GLU 485 Ca 0.09 -1.02 -0.04 0.00 -0.15 0.00 0.00 54.97 53.85 1iok s GLU 485 Cb -0.04 -0.93 -0.04 0.00 -0.44 0.00 0.00 34.13 32.68 1iok s GLU 485 CO 0.12 0.20 0.62 0.71 0.95 0.00 0.00 175.26 177.86 1iok s TYR 486 N -1.36 3.50 -2.43 4.83 2.02 -1.26 -1.04 117.35 121.61 1iok s TYR 486 Ca 0.01 0.62 0.00 0.00 -0.37 0.00 0.00 57.07 57.33 1iok s TYR 486 Cb -0.09 -2.11 0.00 0.00 -0.40 0.00 0.00 41.96 39.36 1iok s TYR 486 CO 0.03 0.04 0.00 0.41 -1.57 0.00 0.00 175.55 174.46 1iok n GLY 487 N -1.50 -0.52 3.39 0.71 0.00 -1.13 -4.96 105.19 101.18 1iok n GLY 487 Ca -0.02 -0.58 -0.45 0.00 0.00 0.00 0.00 46.02 44.98 1iok n GLY 487 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iok s ASP 488 N -4.00 6.26 0.51 1.61 -1.08 -1.26 -1.64 116.67 117.07 1iok s ASP 488 Ca 0.00 -1.52 0.35 0.00 -0.52 0.00 0.00 52.55 50.85 1iok s ASP 488 Cb 0.00 -2.32 1.49 0.00 -1.46 0.00 0.00 42.92 40.64 1iok s ASP 488 CO 0.00 -1.11 1.76 -0.03 0.52 0.00 0.00 175.17 176.30 1iok h MET 489 N 9.11 0.07 0.08 4.34 1.85 -1.45 -0.04 114.93 128.89 1iok h MET 489 Ca -0.23 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 58.85 1iok h MET 489 Cb 1.08 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 33.09 1iok h MET 489 CO 1.09 0.05 -0.04 0.74 -0.40 0.00 0.00 176.91 178.35 1iok h PHE 490 N 0.07 -0.10 -0.09 1.39 0.04 -1.79 -1.24 116.94 115.23 1iok h PHE 490 Ca 0.64 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.40 1iok h PHE 490 Cb 2.36 0.03 -0.01 0.00 2.20 0.00 0.00 35.95 40.54 1iok h PHE 490 CO -0.00 0.35 0.04 0.87 -0.60 0.00 0.00 178.31 178.97 1iok h LYS 491 N -0.60 0.13 0.00 1.51 1.57 -1.45 -1.44 116.57 116.29 1iok h LYS 491 Ca -0.01 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1iok h LYS 491 Cb 0.50 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1iok h LYS 491 CO 0.02 0.11 -0.37 0.74 -0.57 0.00 0.00 179.45 179.37 1iok h PHE 492 N 0.13 0.00 0.00 -1.35 0.04 -1.08 -3.47 116.94 111.22 1iok h PHE 492 Ca 0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1iok h PHE 492 Cb 0.02 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1iok h PHE 492 CO 0.00 0.37 0.00 0.41 -0.60 0.00 0.00 178.31 178.49 1iok n GLY 493 N -0.44 0.89 3.35 -1.45 0.00 -0.54 -5.03 105.19 101.97 1iok n GLY 493 Ca -0.02 -0.09 -0.46 0.00 0.00 0.00 0.00 46.02 45.45 1iok n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iok s VAL 494 N -2.00 5.51 0.24 1.61 1.01 -0.51 -5.03 120.40 121.24 1iok s VAL 494 Ca 0.00 -2.47 0.07 0.00 0.00 0.00 0.00 61.98 59.58 1iok s VAL 494 Cb 0.00 -4.55 -0.05 0.00 0.00 0.00 0.00 36.38 31.78 1iok s VAL 494 CO 0.00 -1.14 -0.10 0.27 0.00 0.00 0.00 175.10 174.13 1iok s ILE 495 N 0.40 1.67 -0.07 2.22 -4.36 -1.26 0.78 121.20 120.57 1iok s ILE 495 Ca 0.23 -2.17 -0.04 0.00 -0.26 0.00 0.00 60.65 58.41 1iok s ILE 495 Cb -0.09 -2.24 0.03 0.00 1.25 0.00 0.00 42.46 41.41 1iok s ILE 495 CO -0.09 -0.45 0.17 -1.81 0.24 0.00 0.00 174.94 173.00 1iok s ASP 496 N -3.37 -0.15 -0.00 4.36 1.01 0.12 -4.40 116.67 114.23 1iok s ASP 496 Ca 0.26 0.34 -0.35 0.00 0.71 0.00 0.00 52.55 53.51 1iok s ASP 496 Cb 0.02 0.27 -0.14 0.00 1.01 0.00 0.00 42.92 44.08 1iok s ASP 496 CO 0.09 -0.12 1.69 -2.65 0.21 0.00 0.00 175.17 174.40 1iok n PRO 497 N 3.80 1.92 0.20 8.23 -0.02 -1.26 -1.74 135.00 146.13 1iok n PRO 497 Ca -0.22 0.70 0.13 0.00 -2.02 0.00 0.00 63.50 62.10 1iok n PRO 497 Cb 0.54 -2.47 0.71 0.00 -0.02 0.00 0.00 33.50 32.26 1iok n PRO 497 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1iok h ALA 498 N 7.26 1.00 0.00 3.55 0.00 -1.60 -0.99 119.26 128.48 1iok h ALA 498 Ca -0.47 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1iok h ALA 498 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1iok h ALA 498 CO 0.91 0.00 -0.32 -0.22 0.00 0.00 0.00 179.25 179.62 1iok h LYS 499 N 0.00 0.00 0.05 0.00 3.64 -1.78 -2.77 116.57 115.70 1iok h LYS 499 Ca 0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 1iok h LYS 499 Cb 0.03 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1iok h LYS 499 CO 0.00 0.32 -2.04 0.28 -2.27 0.00 0.00 179.45 175.74 1iok n VAL 500 N -3.42 1.64 0.40 2.00 0.31 -0.39 -2.25 118.33 116.62 1iok n VAL 500 Ca 0.00 -0.71 0.11 0.00 -0.01 0.00 0.00 64.34 63.73 1iok n VAL 500 Cb 0.50 -1.32 0.45 0.00 -0.91 0.00 0.00 33.84 32.57 1iok n VAL 500 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1iok n VAL 501 N -3.22 0.89 -0.11 2.52 0.31 -1.14 -1.59 118.33 115.99 1iok n VAL 501 Ca -0.30 0.26 -0.22 0.00 -0.01 0.00 0.00 64.34 64.07 1iok n VAL 501 Cb 1.05 -1.16 -0.12 0.00 -0.91 0.00 0.00 33.84 32.71 1iok n VAL 501 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1iok n ARG 502 N -2.09 0.65 -0.19 5.55 0.63 -1.05 -3.98 116.66 116.19 1iok n ARG 502 Ca 0.02 0.23 -0.09 0.00 -0.92 0.00 0.00 57.85 57.09 1iok n ARG 502 Cb 0.21 -1.56 0.01 0.00 0.45 0.00 0.00 32.46 31.57 1iok n ARG 502 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1iok h THR 503 N -0.31 1.26 -0.24 5.15 2.02 -1.36 -2.22 112.91 117.20 1iok h THR 503 Ca -0.57 -1.05 0.05 0.00 0.77 0.00 0.00 66.41 65.61 1iok h THR 503 Cb 1.81 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 69.05 1iok h THR 503 CO -0.15 0.38 -0.05 0.00 0.37 0.00 0.00 175.52 176.07 1iok h ALA 504 N 0.97 0.17 -0.37 6.16 0.00 -1.51 -0.94 119.26 123.75 1iok h ALA 504 Ca 0.16 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1iok h ALA 504 Cb 0.48 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1iok h ALA 504 CO 0.02 -0.46 -0.01 1.25 0.00 0.00 0.00 179.25 180.05 1iok h LEU 505 N 0.02 0.55 0.00 0.00 5.85 -1.66 -1.11 115.31 118.96 1iok h LEU 505 Ca 0.12 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1iok h LEU 505 Cb 0.17 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.06 1iok h LEU 505 CO -0.24 0.63 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.16 1iok h GLU 506 N 0.55 -0.00 -0.87 1.25 5.08 -1.06 -2.85 114.58 116.68 1iok h GLU 506 Ca 0.11 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1iok h GLU 506 Cb 0.37 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 1iok h GLU 506 CO 0.01 0.60 0.54 -0.44 -1.00 0.00 0.00 179.01 178.73 1iok h ASP 507 N -0.60 0.85 0.91 1.42 3.32 -1.11 0.17 116.42 121.37 1iok h ASP 507 Ca -0.00 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.02 1iok h ASP 507 Cb 0.60 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 40.00 1iok h ASP 507 CO 0.00 0.54 -0.44 0.00 -1.72 0.00 0.00 179.24 177.63 1iok h ALA 508 N 1.41 -1.23 -0.00 3.45 0.00 -1.27 -2.34 119.26 119.28 1iok h ALA 508 Ca 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1iok h ALA 508 Cb 0.18 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1iok h ALA 508 CO -0.18 -1.15 0.04 0.00 0.00 0.00 0.00 179.25 177.97 1iok h ALA 509 N -1.35 1.07 -0.12 0.00 0.00 -1.31 0.11 119.26 117.66 1iok h ALA 509 Ca -0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1iok h ALA 509 Cb 0.93 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1iok h ALA 509 CO 0.20 -0.04 -0.01 1.03 0.00 0.00 0.00 179.25 180.43 1iok h SER 510 N 0.00 0.22 0.19 0.00 0.87 -0.14 -2.86 113.55 111.83 1iok h SER 510 Ca 0.00 -0.32 -0.30 0.00 -1.23 0.00 0.00 61.79 59.94 1iok h SER 510 Cb 0.09 -0.06 0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1iok h SER 510 CO -0.00 0.49 -1.41 -0.37 -0.53 0.00 0.00 176.83 175.00 1iok h VAL 511 N -0.06 1.20 -1.01 2.23 -1.51 -0.99 -3.18 116.25 112.92 1iok h VAL 511 Ca 0.03 -2.57 0.29 0.00 -1.23 0.00 0.00 66.70 63.23 1iok h VAL 511 Cb 0.38 2.95 -0.04 0.00 -2.13 0.00 0.00 31.29 32.45 1iok h VAL 511 CO 0.01 0.79 0.78 0.00 -1.23 0.00 0.00 177.57 177.92 1iok h ALA 512 N 0.09 2.92 0.10 5.19 0.00 -0.91 0.40 119.26 127.06 1iok h ALA 512 Ca -0.27 -0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.37 1iok h ALA 512 Cb 1.99 0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.88 1iok h ALA 512 CO 0.19 -1.30 -1.00 0.78 0.00 0.00 0.00 179.25 177.92 1iok h GLY 513 N 0.00 0.56 0.89 0.00 0.00 -1.54 -2.52 103.07 100.47 1iok h GLY 513 Ca 0.48 -1.19 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 1iok h GLY 513 CO -0.01 1.04 -0.07 1.41 0.00 0.00 0.00 176.54 178.92 1iok h LEU 514 N 0.03 -0.16 0.26 3.11 3.38 -0.33 -1.78 115.31 119.82 1iok h LEU 514 Ca -0.15 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1iok h LEU 514 Cb 1.72 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 42.50 1iok h LEU 514 CO 0.19 -0.01 -0.25 -0.07 0.09 0.00 0.00 178.44 178.38 1iok h LEU 515 N -0.31 -0.68 -2.07 1.67 3.38 -0.92 -1.70 115.31 114.69 1iok h LEU 515 Ca -0.02 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1iok h LEU 515 Cb 0.24 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1iok h LEU 515 CO 0.03 -0.37 0.34 0.40 0.09 0.00 0.00 178.44 178.93 1iok h ILE 516 N -0.55 0.52 -0.60 1.22 2.04 -1.41 -1.14 117.51 117.60 1iok h ILE 516 Ca -0.01 0.00 -0.32 0.00 1.00 0.00 0.00 64.86 65.54 1iok h ILE 516 Cb 0.50 0.74 -0.19 0.00 -0.74 0.00 0.00 36.82 37.14 1iok h ILE 516 CO -0.05 0.00 0.20 0.35 0.00 0.00 0.00 178.15 178.65 1iok n THR 517 N -3.95 2.82 -3.70 -0.27 -2.24 -0.68 -4.86 114.28 101.40 1iok n THR 517 Ca 0.06 -2.46 -0.35 0.00 -2.27 0.00 0.00 64.05 59.03 1iok n THR 517 Cb 0.51 -0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 68.27 1iok n THR 517 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1iok s THR 518 N -3.29 5.39 -0.02 4.28 2.01 -0.43 -4.98 115.64 118.60 1iok s THR 518 Ca 0.50 0.24 0.11 0.00 0.31 0.00 0.00 61.69 62.84 1iok s THR 518 Cb 0.44 -3.49 -0.17 0.00 0.01 0.00 0.00 72.50 69.28 1iok s THR 518 CO 0.04 0.43 0.23 -0.62 -0.69 0.00 0.00 174.62 174.01 1iok n GLU 519 N 3.55 0.43 -3.67 4.92 -0.58 -1.26 -4.90 120.64 119.13 1iok n GLU 519 Ca -0.15 -0.10 -0.15 0.00 -0.42 0.00 0.00 57.16 56.34 1iok n GLU 519 Cb 0.52 -1.26 -0.08 0.00 -0.57 0.00 0.00 31.44 30.05 1iok n GLU 519 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1iok s ALA 520 N -2.75 -1.20 0.03 0.62 0.00 -1.26 -1.06 121.76 116.14 1iok s ALA 520 Ca -0.04 0.92 0.06 0.00 0.00 0.00 0.00 51.96 52.90 1iok s ALA 520 Cb 0.07 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1iok s ALA 520 CO 0.46 -0.29 -0.18 -1.64 0.00 0.00 0.00 175.76 174.11 1iok s MET 521 N -0.85 1.27 -0.22 0.00 -1.94 0.35 -4.98 119.30 112.93 1iok s MET 521 Ca -0.09 -0.81 0.01 0.00 -1.71 0.00 0.00 55.69 53.08 1iok s MET 521 Cb -0.03 -1.32 0.06 0.00 2.01 0.00 0.00 34.83 35.54 1iok s MET 521 CO 0.05 0.34 -0.06 0.42 -0.01 0.00 0.00 175.02 175.76 1iok s ILE 522 N -0.71 1.52 0.22 2.53 1.01 -1.26 -0.91 121.20 123.59 1iok s ILE 522 Ca 0.06 -1.14 0.11 0.00 0.00 0.00 0.00 60.65 59.68 1iok s ILE 522 Cb -0.08 -1.75 -0.05 0.00 0.01 0.00 0.00 42.46 40.60 1iok s ILE 522 CO 0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 174.94 174.69 1iok s ALA 523 N 1.41 2.57 0.56 9.38 0.00 -0.68 -4.96 121.76 130.04 1iok s ALA 523 Ca -0.05 -1.71 -0.18 0.00 0.00 0.00 0.00 51.96 50.03 1iok s ALA 523 Cb -0.18 -0.30 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1iok s ALA 523 CO -0.07 0.38 1.09 -2.00 0.00 0.00 0.00 175.76 175.16 1iok s GLU 524 N -2.92 3.36 0.19 0.00 2.56 -1.26 -0.10 118.70 120.53 1iok s GLU 524 Ca 0.23 1.44 -0.23 0.00 0.00 0.00 0.00 54.97 56.41 1iok s GLU 524 Cb -0.07 -2.02 -0.08 0.00 2.00 0.00 0.00 34.13 33.96 1iok s GLU 524 CO 0.11 -0.81 0.76 0.15 -0.56 0.00 0.00 175.26 174.92 1iok s LYS 525 N -3.56 4.44 0.00 4.30 -0.14 -0.84 -4.66 119.74 119.28 1iok s LYS 525 Ca 0.69 1.05 0.06 0.00 -1.36 0.00 0.00 55.97 56.40 1iok s LYS 525 Cb -0.20 -3.09 0.37 0.00 -1.68 0.00 0.00 37.83 33.23 1iok s LYS 525 CO 0.29 0.49 0.83 -0.35 -0.76 0.00 0.00 175.35 175.86