NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7829 8.3393 109.7365 45.4016 0.0000 176.6595 *2 S 4.3388 8.6106 117.6643 58.3515 63.7491 173.2390 3 S 4.7093 8.1174 115.6704 57.0198 63.6809 174.6608 4 N 4.3798 8.2477 117.1927 52.9590 37.5099 174.1766 5 L 4.3075 8.4309 123.4294 54.8460 43.0694 175.1667 6 H 4.9741 8.0128 119.6647 53.6382 31.3884 173.1575 7 G 4.0118 7.2906 109.2760 45.4458 0.0000 170.7789 8 I 5.0830 7.6417 119.2355 59.3704 40.0396 175.2978 9 A 4.6160 8.9307 129.5065 50.7391 20.5542 175.7608 10 I 4.7376 8.0439 121.3371 59.0448 41.6312 174.2435 11 G 3.9303 7.9058 113.9768 46.1411 0.0000 171.8029 12 I 4.6438 8.1771 121.1143 60.1782 38.4429 175.2986 13 E 4.8232 8.5833 124.9716 54.4387 33.9742 174.6153 14 R 4.6536 8.4477 117.0656 54.8713 30.8229 176.5712 15 S 4.3418 9.0686 116.0104 57.6067 64.1384 174.1732 16 Q 3.7329 8.2405 129.3290 57.0360 26.2264 176.0366 17 D 4.6590 8.3041 119.2010 53.6342 40.4175 175.8876 18 D 4.5686 7.0799 116.1868 52.7580 45.0954 173.4391 19 F 5.6830 8.6045 123.8732 56.0130 42.3404 173.6810 20 Y 5.1222 8.6696 118.8416 55.6421 42.4163 173.2174 21 L 4.7149 8.9587 121.7270 53.5123 44.0357 174.6507 22 A 5.3537 8.9905 128.7476 50.4188 21.4115 175.4204 23 F 5.4015 9.4813 120.6366 55.4806 43.2835 174.1769 24 K 5.0140 9.2534 123.0750 54.7136 35.1982 174.4132 25 A 5.0582 8.7948 129.8646 50.3407 20.6697 175.9561 26 V 4.3324 8.5343 122.8866 62.2194 34.5415 176.4779 27 G 4.2167 9.0657 115.5557 45.7906 0.0000 172.4996 28 K 4.7708 8.4514 125.0214 54.9860 32.7579 177.7186 29 L 4.6419 9.1289 129.5288 55.0116 43.0484 176.5806 30 T 4.8748 8.7028 111.9278 59.6360 72.3120 174.4878 31 H 4.4246 8.9069 121.5958 59.0213 29.6825 176.7298 32 E 4.2100 8.1424 120.9996 58.9433 29.0789 178.8344 33 D 4.3410 7.7675 117.5492 57.7763 40.9785 178.2923 34 Y 3.9124 7.6184 115.5770 60.9896 37.7114 178.0876 35 E 4.2085 8.4076 119.6508 59.0407 29.2294 178.4982 36 Q 4.1577 7.6654 116.3276 57.2079 29.0223 176.6766 *38 T 4.5202 7.7607 116.0763 62.8608 70.5877 174.2814 39 P 4.3081 0.0000 0.0000 66.1737 30.7859 178.2850 40 L 3.9803 7.8410 118.1068 57.5105 41.6585 178.9025 41 L 3.9886 7.9112 119.8336 58.0970 42.0665 178.7209 42 E 4.0667 8.3216 118.9911 58.9518 29.5135 179.2062 43 S 4.0762 8.1392 114.2042 61.4388 62.9659 176.2213 44 A 3.9368 8.0714 124.8983 54.9800 17.8714 179.7179 45 L 3.5880 7.7757 115.6858 57.6376 41.7002 179.2834 46 A 4.2218 8.0706 120.5074 54.7207 18.3540 179.4174 47 G 3.7261 8.0751 105.9542 49.4637 0.0000 175.6329 48 I 4.0188 8.5175 127.2249 60.0706 36.0069 177.8857 *53 I 4.1265 8.1079 116.5023 62.3678 37.4907 172.3791 54 V 5.1339 8.3812 117.7471 59.0047 36.0227 174.3662 55 A 5.5578 9.0934 123.8250 50.3488 23.3812 174.5473 56 L 5.2714 9.3984 120.9446 53.3513 45.5787 175.3629 57 I 5.0046 8.9748 126.7972 59.6324 40.4654 174.0686 58 D 5.1835 9.3231 129.2263 53.0540 42.2600 176.5000 59 I 4.4173 8.9414 119.3933 60.7327 37.9967 177.6112 60 T 3.9758 8.4955 113.4580 64.4634 68.7024 174.8402 61 E 4.6048 8.0960 119.6300 55.6464 30.2483 174.5847 62 L 4.5001 7.6968 122.2465 54.9272 43.0387 176.3109 63 D 4.5292 9.2897 126.7871 54.8772 41.6716 176.8362 64 G 4.3288 6.7255 104.4973 45.7860 0.0000 170.5550 65 L 5.1799 7.9117 118.2506 52.3911 44.8333 176.9002 66 S 4.2900 8.7866 117.1069 57.7051 64.1791 175.0734 67 L 3.4893 8.3793 122.0034 58.6978 41.5673 178.4275 68 H 3.9261 7.8957 117.0712 59.3255 29.6371 176.8512 69 A 3.8747 8.0922 122.2562 54.8621 18.1902 179.4843 70 A 3.8028 7.9102 119.4586 54.9631 18.3746 179.9672 71 W 4.3840 7.8452 117.1814 60.1178 28.7201 178.5245 72 D 4.3901 8.0823 118.9624 57.1492 40.1131 178.3861 73 D 4.1018 7.8133 118.7262 57.2380 41.2250 177.8857 74 L 3.8968 7.9178 120.8336 58.0944 42.1382 178.7562 75 K 3.8874 8.2057 119.4207 59.6374 32.1397 178.7837 76 L 4.2417 8.0804 119.3257 57.7415 41.5171 179.6960 77 G 3.7111 8.3783 105.8629 47.8903 0.0000 175.7934 78 L 4.0441 8.0572 120.6234 57.1795 41.6434 179.0339 79 K 4.1694 7.7521 118.4442 58.4967 32.6991 176.9750 80 H 5.3281 7.9565 112.8243 54.0981 31.2011 175.7985 81 G 3.9150 8.5262 109.3839 48.3499 0.0000 175.8348 82 K 4.0197 8.2387 120.0730 59.2564 31.9707 177.5164 83 E 3.9817 8.3862 117.7148 57.9550 29.7138 176.1450 84 F 4.9201 8.4680 121.5342 56.6620 39.4835 177.1918 85 K 4.2611 9.1101 131.1458 57.5671 32.9576 173.9425 86 R 5.1677 7.8945 117.8087 54.3274 34.8784 174.9548 87 V 4.7542 9.3294 122.0065 61.2325 34.6458 173.8293 88 A 5.1671 9.0252 130.8884 51.2483 20.6551 175.6273 89 I 4.8237 9.0074 124.0892 59.7289 39.8298 174.7515 90 I 4.6018 8.8908 129.0970 60.1044 38.8368 175.0679 91 G 4.1880 8.0865 114.8849 45.9464 0.0000 170.7071 92 Q 4.8399 9.4572 120.9954 55.7457 32.3699 176.6992 93 G 4.1290 9.3776 109.7434 45.9242 0.0000 174.0350 94 E 3.9871 8.4012 117.6536 57.9158 29.4858 179.3157 95 L 4.0055 7.6824 120.7375 58.2039 42.3996 178.5629 96 Q 4.0134 7.9579 117.5201 58.7717 28.6811 178.2335 97 E 2.8122 7.3435 120.3974 58.4444 29.4670 178.5955 98 W 4.0508 8.3654 128.6362 60.5199 30.7959 177.7835 99 A 3.4563 8.3662 120.7251 55.2158 17.7274 179.8465 100 T 3.8533 7.6747 114.3141 66.9165 68.4503 177.2461 101 R 3.9707 7.9058 119.9879 59.0076 29.7634 179.3999 102 V 3.3679 7.2946 117.3066 65.8419 31.6625 177.5726 103 A 4.0649 7.8693 120.5547 55.1694 17.9000 178.9570 104 N 4.1317 8.5063 115.9179 56.6616 38.7405 176.8411 105 W 3.9898 7.7869 128.9352 60.4239 30.8921 177.6657 106 F 4.0489 8.1271 116.6567 58.2188 38.8035 175.4776 107 T 4.7487 6.7274 108.1601 58.6927 71.1285 172.5684 108 P 4.3464 0.0000 0.0000 65.8223 31.7056 177.3047 109 G 4.2925 7.9320 104.2067 45.2270 0.0000 173.0688 110 E 4.9055 9.2383 121.2322 55.7952 30.6929 175.6778 111 F 5.5276 9.7558 124.5327 55.8278 41.0159 175.4978 112 K 4.4334 9.0224 123.8213 54.5230 35.7007 174.5339 113 F 5.0593 8.4197 128.7617 57.4154 40.6353 174.6319 114 F 4.6240 8.4643 123.2134 56.0155 42.9765 175.2742 115 E 4.4317 8.8125 118.9570 56.1934 30.7878 176.4699 116 D 4.8679 7.7480 118.0912 51.8068 43.6763 176.0730 117 K 3.8126 8.8564 130.1927 60.5437 32.0063 179.4335 118 R 3.8874 7.8128 120.2096 61.4691 29.5596 180.5891 119 D 4.4793 7.6216 119.2674 56.9046 40.6936 178.7762 120 A 2.5800 7.4383 121.3182 54.6309 18.2149 179.7861 121 L 3.6801 7.9489 117.7172 57.7215 41.3303 179.4878 122 D 4.2978 7.5152 118.4680 56.8247 40.7735 177.9798 123 W 4.3730 7.4467 126.7669 59.6318 30.9492 177.7662 124 L 3.6943 8.0816 120.3551 57.4322 41.6411 176.3677 125 C 4.1847 7.5560 117.0659 58.3155 29.7865 173.4114 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 G 8.34 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 S 8.61 4.34 0.00 4.02 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.12 4.71 0.00 3.83 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.25 4.38 0.00 2.85 2.85 0.00 0.00 6.26 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.43 4.31 0.00 1.75 1.59 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.01 4.97 0.00 3.37 3.22 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.29 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 7.64 5.08 1.77 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.54 1.02 0.00 0.00 9 A 8.93 4.62 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.04 4.74 1.70 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.24 0.82 0.00 0.00 11 G 7.91 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.18 4.64 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.49 0.84 0.00 0.00 13 E 8.58 4.82 0.00 1.16 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 14 R 8.45 4.65 0.00 1.43 1.86 0.00 3.00 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 15 S 9.07 4.34 0.00 3.78 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.24 3.73 0.00 2.44 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.26 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 17 D 8.30 4.66 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.08 4.57 0.00 2.49 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.60 5.68 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.67 5.12 0.00 3.18 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.96 4.71 0.00 1.93 1.87 0.80 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.99 5.35 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 9.48 5.40 0.00 2.94 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.25 5.01 0.00 1.82 1.64 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 25 A 8.79 5.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.53 4.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.95 0.00 0.00 27 G 9.07 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.45 4.77 0.00 1.75 1.72 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.49 7.81 29 L 9.13 4.64 0.00 1.77 1.75 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.70 4.87 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 31 H 8.91 4.42 0.00 3.02 3.31 0.00 5.91 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.14 4.21 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 33 D 7.77 4.34 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.62 3.91 0.00 3.25 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.41 4.21 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 36 Q 7.67 4.16 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 *38 T 7.76 4.52 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 39 P 0.00 4.31 0.00 2.26 2.35 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 40 L 7.84 3.98 0.00 1.69 1.71 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 L 7.91 3.99 0.00 1.88 1.96 1.23 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.32 4.07 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 43 S 8.14 4.08 0.00 4.04 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.07 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.78 3.59 0.00 1.77 1.72 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.07 4.22 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.08 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.52 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.91 0.00 0.00 *53 I 8.11 4.13 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.55 0.91 0.00 0.00 54 V 8.38 5.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.01 0.00 0.00 55 A 9.09 5.56 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 9.40 5.27 0.00 1.69 1.76 0.81 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.97 5.00 1.90 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.91 0.00 0.00 58 D 9.32 5.18 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.94 4.42 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.86 0.99 0.00 0.00 60 T 8.50 3.98 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 61 E 8.10 4.60 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 62 L 7.70 4.50 0.00 1.80 1.80 1.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.29 4.53 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 6.73 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.91 5.18 0.00 1.56 1.53 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.79 4.29 0.00 3.90 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.38 3.49 0.00 1.47 1.33 0.42 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 68 H 7.90 3.93 0.00 3.13 3.22 0.00 5.74 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.09 3.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.91 3.80 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 W 7.85 4.38 0.00 3.69 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.08 4.39 0.00 2.36 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.81 4.10 0.00 2.48 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.92 3.90 0.00 1.81 1.83 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.21 3.89 0.00 1.97 2.01 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.50 7.81 76 L 8.08 4.24 0.00 2.02 1.85 1.22 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.38 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.06 4.04 0.00 1.78 1.76 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.75 4.17 0.00 1.89 1.86 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.17 1.40 7.81 80 H 7.96 5.33 0.00 3.57 3.57 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.53 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.24 4.02 0.00 1.77 1.92 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.57 7.81 83 E 8.39 3.98 0.00 2.02 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 84 F 8.47 4.92 0.00 3.30 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 9.11 4.26 0.00 1.44 1.81 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.29 7.81 86 R 7.89 5.17 0.00 1.44 1.33 0.00 2.21 0.00 0.00 2.73 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 87 V 9.33 4.75 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.39 0.00 0.00 88 A 9.03 5.17 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 9.01 4.82 2.08 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.15 1.11 0.00 0.00 90 I 8.89 4.60 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.62 0.92 0.00 0.00 91 G 8.09 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 9.46 4.84 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.39 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 93 G 9.38 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.40 3.99 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.33 0.00 95 L 7.68 4.01 0.00 1.73 1.66 0.75 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.96 4.01 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 97 E 7.34 2.81 0.00 1.16 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 98 W 8.37 4.05 0.00 3.40 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.37 3.46 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.67 3.85 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 101 R 7.91 3.97 0.00 1.83 1.88 0.00 3.11 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 102 V 7.29 3.37 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 -0.30 0.00 0.00 103 A 7.87 4.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.51 4.13 0.00 2.97 3.02 0.00 0.00 6.85 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 W 7.79 3.99 0.00 3.14 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.13 4.05 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 6.73 4.75 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 108 P 0.00 4.35 0.00 2.26 2.25 0.00 3.87 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 109 G 7.93 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 9.24 4.91 0.00 2.16 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 111 F 9.76 5.53 0.00 2.77 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.02 4.43 0.00 0.93 0.74 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.71 7.81 113 F 8.42 5.06 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.46 4.62 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.81 4.43 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 116 D 7.75 4.87 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.86 3.81 0.00 1.83 1.77 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 118 R 7.81 3.89 0.00 1.86 1.92 0.00 3.30 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 119 D 7.62 4.48 0.00 2.73 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.44 2.58 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.95 3.68 0.00 1.51 1.54 0.82 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 122 D 7.52 4.30 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 7.45 4.37 0.00 3.42 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.08 3.69 0.00 1.80 1.48 1.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 125 C 7.56 4.18 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.