NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8645 8.4545 109.7364 45.7044 0.0000 175.6384 4 I 3.8163 7.7312 117.8500 59.6033 35.3787 179.6121 5 R 3.8192 8.5085 122.7640 57.5545 30.0320 179.7769 6 E 3.5181 9.1400 119.6111 59.7317 30.7620 182.7701 7 K 3.9610 7.7786 119.9695 58.5401 32.0220 183.4480 8 K 4.3523 8.9922 118.9981 54.8321 32.1981 179.4954 9 A 5.0269 8.2431 124.8000 53.0443 18.9038 178.4096 10 E 4.4727 8.0555 121.5216 58.8028 32.4857 180.9552 *11 Y 4.0339 7.9964 120.2910 60.3754 37.8489 179.1257 *12 F 4.6828 7.9663 119.5862 54.4795 36.0439 175.8996 13 A 4.3891 6.9250 135.0000 54.1167 22.3236 180.0475 14 K 4.0584 9.0881 119.5477 58.1256 32.1252 182.3789 15 L 4.0632 7.7657 121.5499 57.0906 40.7279 180.4306 16 R 4.8031 7.5185 115.8675 56.5054 30.6346 181.2994 17 E 4.8276 10.2847 116.8082 59.2418 36.5263 180.2828 *18 Y 4.4789 7.9682 116.2496 57.7166 36.7576 177.9951 19 L 4.5976 7.9914 123.0186 57.7727 42.6843 183.9553 20 E 4.6404 8.0422 116.5997 56.0557 29.5348 180.4324 21 E 4.7099 8.6422 114.6406 58.2454 33.1011 177.1739 *22 Y 4.5601 7.9252 119.9842 56.5709 39.0237 180.5556 23 K 4.3221 8.5995 128.4843 53.4128 31.8439 173.3937 24 S 4.4290 8.7172 126.6479 57.6159 62.0362 168.7128 25 L 4.9530 8.0221 126.4882 53.1780 43.3940 176.7004 *26 F 4.1544 8.7114 128.3527 57.6871 37.4036 175.0197 27 V 3.6912 8.7271 123.8207 62.3281 32.8274 175.4454 28 V 3.7796 7.5080 118.1556 60.2582 31.7359 173.8552 29 G 4.5971 8.1625 110.3170 45.0008 0.0000 173.1601 30 V 4.3206 7.7773 114.4689 61.1789 33.5267 168.1983 31 D 4.5028 8.3439 128.4508 53.9750 40.0324 174.3389 32 N 4.9918 8.2577 113.9980 51.3522 38.9922 181.0747 33 V 5.3267 8.7627 127.9852 64.7917 32.6279 172.2770 34 S 3.0541 8.2904 108.6721 57.8902 64.7973 180.4369 35 S 3.6436 9.2364 120.1746 60.0247 62.4224 177.1645 36 Q 4.0493 8.6813 117.3570 60.3057 27.7593 176.2672 37 Q 4.2525 8.0722 114.6731 57.3232 29.0055 183.1412 38 M 4.3592 8.5273 124.3827 60.2643 30.7204 182.8610 *39 H 4.4171 9.2790 123.1615 61.2525 28.7376 178.9509 40 E 4.2386 10.2270 122.0581 61.6112 29.2246 183.1708 41 V 3.9809 7.3822 122.1179 67.0589 32.0586 181.0938 42 R 4.4767 8.2103 123.4245 60.8815 29.4925 181.4138 43 K 4.4018 8.4353 126.7425 60.3276 31.6560 181.0821 44 E 4.2848 7.6760 119.5331 60.9905 29.7812 180.9680 45 L 4.9704 8.4635 122.0135 54.4153 42.6099 180.7730 46 R 4.7437 7.8290 124.6250 54.1599 30.2839 183.5007 47 G 3.8877 9.6019 109.9619 49.0833 0.0000 175.6986 48 R 4.1830 9.0086 116.5322 55.7807 29.3477 178.4931 49 A 4.7465 7.4301 125.0886 52.6341 21.1417 179.5359 50 V 4.4413 8.1574 118.6166 61.3467 32.6271 175.1347 51 V 3.3488 9.3911 113.3558 63.5907 28.5934 174.7835 52 L 4.7862 8.0787 123.1172 52.8265 44.0655 178.8988 53 M 4.7686 8.0478 126.1089 53.6459 35.2408 171.7423 54 G 4.1857 8.3593 117.5697 44.5145 0.0000 174.6552 55 K 4.0485 8.6655 127.9286 55.3522 32.0731 175.6360 56 N 4.7167 8.8722 122.4726 53.3100 37.8470 173.5418 57 T 4.4050 7.8263 110.9793 63.2681 69.1405 180.9871 58 M 4.8304 7.6961 116.7424 55.4067 33.7315 182.8485 59 V 3.9709 8.5726 115.9483 63.3923 33.5745 184.0576 60 R 4.0651 8.4833 119.3820 58.6584 28.2981 184.4127 61 R 3.9778 9.3744 121.9538 59.1412 30.7620 180.3711 62 A 3.5702 7.8777 115.3346 57.1145 18.4764 179.5761 63 I 3.6287 8.7229 120.1072 62.3598 35.8825 180.3851 64 R 4.1810 7.2857 117.2129 59.0211 29.4540 181.5021 65 G 3.7507 8.3906 114.9454 47.9988 0.0000 175.0139 *66 F 3.9904 8.0859 121.7279 55.3000 39.1603 185.0000 67 L 3.4036 7.5876 124.7229 55.4591 41.1199 179.3639 68 S 3.8207 9.1981 110.8584 60.3872 59.0755 172.7653 69 D 4.5401 8.3386 121.9436 53.6661 45.4532 177.9437 70 L 3.7096 7.9932 119.0799 55.8495 39.3294 180.1995 71 P 4.4205 0.0000 0.0000 63.4373 31.9464 178.3958 72 D 4.5804 8.7900 114.0232 55.8841 37.1767 174.5931 *73 F 4.7993 7.6698 115.0485 57.9852 42.0341 178.4907 74 E 4.5490 8.3347 116.3626 57.3032 29.5593 183.4110 75 K 4.1400 8.2438 125.3299 57.8348 33.2685 182.8908 76 L 3.5019 7.4911 120.1911 55.5511 41.3151 179.1551 77 L 4.5340 8.5854 124.3343 57.0687 40.5307 173.5961 78 P 4.8214 0.0000 0.0000 64.0274 32.7777 180.4458 *79 F 4.6396 8.6825 116.5811 58.9490 38.7684 183.3526 80 V 3.3021 8.8690 116.1814 63.1537 28.9893 176.4490 81 K 4.0501 7.5872 127.1791 54.8210 31.5845 179.2621 82 G 3.8177 7.6682 117.9042 47.7255 0.0000 174.3727 *83 Y 4.2928 7.7579 121.0161 56.8940 37.2639 178.6610 84 V 4.8218 7.6627 118.4059 59.7269 34.2538 178.2711 85 G 3.9139 8.3764 113.0993 45.9911 0.0000 174.4102 *86 F 3.4300 7.9660 114.7154 58.0235 34.9081 180.1163 87 V 4.6315 8.5267 135.0000 60.0670 29.1526 174.0456 *88 F 4.2920 7.8744 126.0137 58.3264 39.1523 178.7417 89 T 4.1378 8.2726 120.9268 61.0573 76.1689 173.6490 90 N 6.0460 8.2588 106.0673 55.1626 40.6874 171.9829 91 E 4.7959 8.1527 125.3365 55.2861 32.0937 177.0076 92 P 4.6887 0.0000 0.0000 62.9233 32.9277 172.8450 93 L 3.7173 8.3821 128.9860 53.9320 39.9006 172.7490 94 T 3.9241 8.7599 107.1882 66.8278 68.1715 171.9544 95 E 3.9104 7.6419 120.6150 62.8184 29.7148 183.8107 96 I 3.8689 8.3107 121.0223 66.9232 35.4205 180.2794 97 K 4.6963 8.3897 121.9861 57.8454 31.4409 181.3465 98 N 4.8699 8.1782 123.9648 58.2703 38.3186 180.6593 99 V 4.0799 7.8278 119.4958 64.2737 33.1949 181.1943 100 I 4.0639 7.5487 117.7255 59.2284 34.1689 179.7237 101 V 3.7835 7.2355 117.4993 61.7190 30.7698 174.8502 102 S 5.8930 7.3960 125.1685 59.3090 64.9214 181.3510 103 N 4.6412 9.3396 118.5861 55.2109 36.9432 179.3607 104 R 4.9696 7.5299 117.9582 56.6244 30.2524 180.8208 105 V 4.3391 8.1458 115.8517 61.5972 34.6469 178.5426 106 A 4.6530 7.9318 122.2384 51.8556 20.5831 176.8559 107 A 4.5490 7.7945 120.8116 52.7395 20.2228 176.7835 *181 F 4.6051 8.0556 117.0704 58.7136 39.0424 178.8688 182 T 4.4931 7.4840 115.9287 59.8353 71.8305 176.4496 *183 F 4.6370 8.5776 125.9847 55.0890 39.8966 170.3350 184 G 4.0735 8.0095 106.4690 47.0839 0.0000 171.7148 185 L 5.0415 8.4897 123.1406 54.1212 45.0144 172.9064 186 T 4.7625 8.4930 118.4837 58.2201 73.3265 174.3399 187 V 4.4258 8.4589 128.5362 62.0825 33.1970 179.9447 188 V 4.7422 8.3496 127.7336 63.8924 32.3370 171.0558 189 Q 4.9752 8.3317 120.6904 57.3247 30.5586 176.4392 190 V 3.5253 7.3949 119.5595 64.4529 32.1620 175.3721 *191 Y 4.8421 9.5459 130.8746 54.7668 34.8703 167.7343 192 D 5.1898 10.4155 125.9744 51.6408 39.5480 179.6984 193 N 4.1512 9.8053 111.9832 54.7933 34.3559 173.3366 194 G 4.1692 9.8782 110.5770 46.7329 0.0000 174.3299 195 Q 4.3691 7.7191 116.4374 55.2655 32.3218 178.8185 196 V 4.0113 9.5063 122.5833 61.3565 31.7287 175.7582 *197 F 3.4492 8.2324 119.4758 58.7016 34.2764 177.7801 198 P 3.9617 0.0000 0.0000 61.2122 29.0562 175.9059 199 S 4.5697 8.6056 124.1219 58.6354 62.4546 171.7989 200 S 4.7959 7.9608 118.4159 59.1195 62.1156 178.4521 201 I 4.4943 7.7240 116.0853 61.9902 39.2128 179.3187 202 L 4.1110 8.2595 123.9408 59.0562 40.6990 183.2676 203 D 4.6997 7.9593 118.6240 53.4761 40.5761 177.8490 204 I 4.5487 7.8411 120.7120 59.8854 39.5418 175.3264 205 T 4.3132 8.1629 109.2890 62.4749 69.4044 171.7141 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 3 G 8.45 3.86 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 0.00 0.00 0.00 4 I 7.73 3.82 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 1.27 0.61 0.91 0.00 0.00 5 R 8.51 3.82 0.00 1.84 1.74 0.00 3.26 0.00 0.00 3.37 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 0.00 6 E 9.14 3.52 0.00 1.88 2.04 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 2.33 1.92 0.00 7 K 7.78 3.96 0.00 1.81 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.27 7.81 8 K 8.99 4.35 0.00 1.62 1.81 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.34 1.25 7.81 9 A 8.24 5.03 1.28 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 0.00 0.00 0.00 10 E 8.06 4.47 0.00 1.88 1.93 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 2.22 1.84 0.00 *11 Y 8.00 4.03 0.00 2.23 2.32 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 0.00 *12 F 7.97 4.68 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 6.92 4.39 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 14 K 9.09 4.06 0.00 1.62 1.82 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.25 7.81 15 L 7.77 4.06 0.00 1.65 1.66 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.52 4.80 0.00 1.85 1.77 0.00 3.23 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 17 E 10.28 4.83 0.00 1.84 1.89 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 2.14 2.12 0.00 *18 Y 7.97 4.48 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 4.60 0.00 1.50 1.66 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.04 4.64 0.00 1.98 1.85 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 0.00 2.23 1.87 0.00 21 E 8.64 4.71 0.00 1.91 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 *22 Y 7.93 4.56 0.00 2.31 2.08 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 23 K 8.60 4.32 0.00 1.67 1.74 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.22 7.81 24 S 8.72 4.43 0.00 3.83 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.02 4.95 0.00 1.30 1.45 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *26 F 8.71 4.15 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.73 3.69 2.08 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 0.65 0.00 0.00 0.93 0.00 0.00 28 V 7.51 3.78 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 29 G 8.16 4.60 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 0.00 0.00 0.00 30 V 7.78 4.32 2.08 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 0.66 0.00 0.00 0.93 0.00 0.00 31 D 8.34 4.50 0.00 2.72 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 32 N 8.26 4.99 0.00 2.83 2.83 0.00 0.00 6.52 7.67 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 33 V 8.76 5.33 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 34 S 8.29 3.05 0.00 3.69 3.69 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 35 S 9.24 3.64 0.00 3.72 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.68 4.05 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.01 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 37 Q 8.07 4.25 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 38 M 8.53 4.36 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 *39 H 9.28 4.42 0.00 2.91 3.12 0.00 7.17 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 10.23 4.24 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 41 V 7.38 3.98 2.08 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 0.89 0.00 0.00 0.93 0.00 0.00 42 R 8.21 4.48 0.00 1.85 1.91 0.00 3.27 0.00 0.00 3.20 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 43 K 8.44 4.40 0.00 1.74 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.38 7.81 44 E 7.68 4.28 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 45 L 8.46 4.97 0.00 1.51 1.64 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.83 4.74 0.00 1.73 1.39 0.00 3.38 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 47 G 9.60 3.89 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 0.00 0.00 0.00 48 R 9.01 4.18 0.00 1.84 1.82 0.00 3.27 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 49 A 7.43 4.75 1.28 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 0.00 0.00 0.00 50 V 8.16 4.44 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 51 V 9.39 3.35 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 52 L 8.08 4.79 0.00 1.59 1.43 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 53 M 8.05 4.77 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.86 0.00 54 G 8.36 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 55 K 8.67 4.05 0.00 1.70 1.72 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.01 7.81 56 N 8.87 4.72 0.00 2.74 2.74 0.00 0.00 6.69 7.71 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 57 T 7.83 4.40 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 58 M 7.70 4.83 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.06 0.00 59 V 8.57 3.97 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 60 R 8.48 4.07 0.00 1.73 1.70 0.00 3.25 0.00 0.00 3.37 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 61 R 9.37 3.98 0.00 1.72 2.01 0.00 3.26 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.24 0.00 62 A 7.88 3.57 1.29 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 63 I 8.72 3.63 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 1.27 0.70 0.91 0.00 0.00 64 R 7.29 4.18 0.00 1.82 1.70 0.00 3.24 0.00 0.00 3.23 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 65 G 8.39 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *66 F 8.09 3.99 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 3.40 0.00 1.74 0.58 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.20 3.82 0.00 3.70 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 69 D 8.34 4.54 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 3.71 0.00 1.82 1.49 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.42 0.00 1.99 1.99 0.00 3.85 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 2.03 1.60 0.00 72 D 8.79 4.58 0.00 2.84 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.67 4.80 0.00 2.19 2.22 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 74 E 8.33 4.55 0.00 1.98 1.84 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 2.19 1.86 0.00 75 K 8.24 4.14 0.00 1.77 1.74 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 0.99 7.81 76 L 7.49 3.50 0.00 1.71 1.68 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.59 4.53 0.00 1.66 1.58 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.82 0.00 2.08 1.96 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.57 0.00 *79 F 8.68 4.64 0.00 2.22 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.87 3.30 2.08 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 0.84 0.00 0.00 0.93 0.00 0.00 81 K 7.59 4.05 0.00 1.77 1.52 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.00 7.81 82 G 7.67 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 Y 7.76 4.29 0.00 2.25 2.27 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 84 V 7.66 4.82 2.08 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 0.92 0.00 0.00 0.93 0.00 0.00 85 G 8.38 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 F 7.97 3.43 0.00 2.30 2.49 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 87 V 8.53 4.63 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 *88 F 7.87 4.29 0.00 2.06 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 0.00 0.00 0.00 0.00 89 T 8.27 4.14 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 90 N 8.26 6.05 0.00 2.67 2.58 0.00 0.00 6.69 7.66 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 91 E 8.15 4.80 0.00 1.93 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 0.00 2.10 1.82 0.00 92 P 0.00 4.69 0.00 1.94 1.94 0.00 3.85 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 1.90 1.53 0.00 93 L 8.38 3.72 0.00 1.70 1.67 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.76 3.92 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 95 E 7.64 3.91 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 96 I 8.31 3.87 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 1.38 0.53 0.91 0.00 0.00 97 K 8.39 4.70 0.00 1.71 1.80 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 98 N 8.18 4.87 0.00 2.79 2.74 0.00 0.00 6.76 7.29 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 99 V 7.83 4.08 2.08 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 0.86 0.00 0.00 0.93 0.00 0.00 100 I 7.55 4.06 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 0.54 0.91 0.00 0.00 101 V 7.24 3.78 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 102 S 7.40 5.89 0.00 3.69 3.85 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 0.00 0.00 0.00 0.00 103 N 9.34 4.64 0.00 2.57 2.74 0.00 0.00 6.50 7.54 0.00 0.00 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 R 7.53 4.97 0.00 1.75 1.73 0.00 3.07 0.00 0.00 2.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.13 0.00 105 V 8.15 4.34 2.08 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 0.89 0.00 0.00 0.93 0.00 0.00 106 A 7.93 4.65 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 4.55 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *181 F 8.06 4.61 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 T 7.48 4.49 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *183 F 8.58 4.64 0.00 2.29 2.13 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 0.00 184 G 8.01 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.49 5.04 0.00 1.38 1.38 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 186 T 8.49 4.76 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 187 V 8.46 4.43 2.08 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 0.65 0.00 0.00 0.93 0.00 0.00 188 V 8.35 4.74 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 189 Q 8.33 4.98 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.69 0.00 0.00 0.00 0.00 0.00 2.02 1.73 0.00 190 V 7.39 3.53 2.08 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 0.85 0.00 0.00 0.93 0.00 0.00 *191 Y 9.55 4.84 0.00 2.32 1.79 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 0.00 0.00 0.00 0.00 192 D 10.42 5.19 0.00 2.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 N 9.81 4.15 0.00 2.85 2.73 0.00 0.00 6.66 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 G 9.88 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 Q 7.72 4.37 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.14 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 196 V 9.51 4.01 2.08 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 0.87 0.00 0.00 0.93 0.00 0.00 *197 F 8.23 3.45 0.00 2.34 2.29 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 0.00 198 P 0.00 3.96 0.00 2.04 2.10 0.00 3.69 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 2.00 1.63 0.00 199 S 8.61 4.57 0.00 3.62 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 S 7.96 4.80 0.00 3.63 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 I 7.72 4.49 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 1.27 0.87 0.91 0.00 0.00 202 L 8.26 4.11 0.00 1.65 1.65 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 203 D 7.96 4.70 0.00 2.69 2.47 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 0.00 204 I 7.84 4.55 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 1.27 0.91 0.91 0.00 0.00 205 T 8.16 4.31 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.