NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8432 8.3027 120.3533 55.5482 31.3595 173.4025 2 L 4.0084 8.3913 127.7574 58.3477 41.8326 178.2679 3 L 4.0906 9.0396 119.7795 58.0478 42.0392 178.9558 4 Q 4.1486 8.1511 117.4722 58.8675 28.7067 178.3689 5 F 4.4801 8.3713 121.5662 61.6505 39.4245 177.4366 6 R 3.7947 8.3804 117.7717 58.9387 29.7524 179.0304 7 K 4.0457 8.3571 119.5415 59.7842 32.2806 178.7394 8 M 4.3180 8.1695 118.9974 58.5856 31.8886 178.8463 9 I 3.6920 7.7660 119.7798 64.1612 37.2710 178.3035 10 K 4.5372 8.1485 121.8019 59.0706 31.8398 178.6904 11 K 4.0585 8.1854 118.4831 59.7019 32.1717 178.1459 12 M 4.4011 8.3353 118.2911 57.2309 32.2764 177.6856 13 T 4.4922 8.1325 107.5328 60.7535 70.3942 175.9936 14 G 3.8781 8.5760 110.3165 45.8537 0.0000 173.4796 *16 K 4.2744 7.4744 117.5128 56.0186 33.3522 174.3837 17 E 4.4892 8.3638 122.2205 55.1389 30.2311 175.7141 18 P 4.5456 0.0000 0.0000 66.0247 31.4882 178.2059 19 V 3.5958 7.9143 116.5514 66.1025 31.1324 177.9743 20 V 3.7515 7.7024 112.0875 64.9958 31.7616 178.5749 21 S 4.4669 7.4366 112.8753 60.0121 62.8100 174.8053 22 Y 4.6834 8.2198 117.4521 58.2114 40.4340 177.4846 23 A 4.0174 8.5356 122.7581 54.2093 18.7948 178.3834 24 F 4.9489 8.0090 112.1917 56.8267 41.1050 173.8659 25 Y 4.1728 8.2671 124.1520 58.5306 39.5928 176.3615 26 G 3.5740 8.2200 116.6177 46.8062 0.0000 173.0828 27 C 4.5722 8.8531 115.6563 57.9926 40.8408 174.4973 28 Y 4.4269 8.5146 115.1829 57.9148 39.7335 176.3349 29 C 4.6060 8.4520 116.8000 59.5623 40.5233 174.3734 30 G 4.1148 7.8685 107.3576 45.0669 0.0000 172.8564 31 S 4.1965 8.4481 115.2526 59.5596 63.7252 176.6932 32 G 3.8441 8.5147 111.9608 46.6642 0.0000 172.1917 33 G 4.4693 7.8121 115.8173 45.9601 0.0000 172.4478 34 R 4.5095 7.0541 119.7623 55.5489 33.9165 175.5690 35 G 4.3605 8.6473 104.1834 45.0854 0.0000 172.6003 36 K 4.8105 7.6045 117.9773 53.8393 34.8883 174.3465 37 P 4.4658 0.0000 0.0000 63.4074 31.5528 177.0082 38 K 3.9064 8.7709 122.5287 59.0093 32.6029 176.0995 39 D 4.4367 7.1232 115.3891 51.9453 41.9164 175.3953 40 A 4.0087 8.6127 119.5200 56.1216 18.6027 179.8495 41 T 3.9830 8.0528 113.8323 67.1017 68.3870 176.0796 42 D 4.5733 8.5993 119.8481 57.2742 41.1898 178.2607 43 R 3.9199 8.1938 119.3879 59.3065 30.0200 177.8014 44 C 4.1617 8.3199 116.6085 60.3017 40.8393 175.4229 45 C 4.3564 8.3180 117.6681 59.9385 40.7392 176.0155 46 F 3.8095 8.4955 122.5691 61.2144 38.8902 177.3538 47 V 3.2081 7.9440 118.0800 66.0965 31.2858 177.4458 48 H 3.8092 8.1216 117.9279 59.0963 29.6441 176.9145 49 D 4.2080 8.0884 120.8125 57.7030 40.5832 178.2285 50 C 4.1157 7.8541 116.9155 59.8875 39.8071 175.5125 51 C 4.1484 7.9651 119.8407 59.9348 38.0200 174.9714 52 Y 4.1682 7.9460 118.3619 61.0054 37.1476 178.1002 53 E 3.9831 8.0081 119.6052 58.9520 29.8165 178.2774 54 K 4.2570 7.5925 116.1461 56.0299 32.4104 176.7220 55 V 4.0821 6.9931 120.4563 61.5204 32.4012 175.0170 56 T 4.5308 8.0299 116.1588 59.8008 72.1989 174.6270 *59 G 4.4123 8.7042 109.8195 45.6624 0.0000 171.5947 *61 C 5.1419 7.5465 112.1566 55.1073 44.1458 171.5654 *67 D 4.8095 8.1023 116.8558 53.7395 40.7819 173.7986 68 P 3.8850 0.0000 0.0000 65.5169 31.6232 178.1232 69 K 4.2269 8.0009 117.2850 58.2086 32.2821 178.5639 70 W 4.7995 8.1339 115.7499 56.9441 30.4126 175.9179 71 D 4.7160 8.1391 119.0021 53.5630 41.0877 175.5301 72 D 5.1980 8.8163 123.2316 52.7674 41.8873 175.8855 73 Y 4.6513 7.5214 121.7967 55.8271 40.4730 174.4485 74 T 4.7796 8.4670 116.4197 62.4831 69.8914 173.9474 75 Y 5.5250 8.5947 123.8036 55.8649 41.8450 173.9890 76 S 4.4897 8.9900 113.1986 56.9282 66.9012 173.1651 77 W 5.0243 8.8012 120.8156 55.9616 30.4347 176.2180 78 K 4.4325 9.2523 124.7162 55.7270 34.1846 176.0463 79 N 4.2632 10.1133 126.0100 54.5324 36.1262 174.6639 80 G 4.0971 8.6352 99.7652 46.6285 0.0000 173.5088 81 T 4.7585 8.1959 115.1428 61.2604 72.1132 173.3782 82 I 3.9441 7.9818 126.1753 60.8316 38.2846 175.4682 83 V 4.3448 8.8432 126.1057 61.3242 34.3526 173.5236 84 C 4.9151 8.8934 125.4687 55.5884 41.1882 173.0374 85 G 3.7008 8.8782 113.6559 47.4047 0.0000 173.9984 86 G 4.1076 8.9041 110.0802 45.7460 0.0000 173.1297 *88 D 4.8554 8.2440 116.2548 52.5928 40.9557 175.4005 89 D 4.6666 7.6969 120.4425 52.5246 42.0596 174.4292 90 P 4.2218 0.0000 0.0000 66.1892 31.0397 178.8617 91 C 4.3895 8.2287 117.5631 59.5679 44.8796 175.5256 92 K 3.9359 8.3121 120.1477 59.3042 31.5595 179.3067 93 K 3.8581 7.9018 120.1471 59.2385 32.0193 178.6278 94 E 3.8416 7.9343 118.5137 59.3887 29.4161 179.3916 95 V 3.4870 7.5916 118.0072 66.1679 31.4967 176.9332 96 C 2.7372 7.6469 117.9884 59.4953 38.8855 175.5199 97 E 3.6848 8.2523 120.2242 59.4376 28.8309 178.7095 98 C 4.1502 8.3881 116.9568 60.1061 39.1131 175.9979 99 D 3.7856 7.9784 120.3871 56.9064 40.3319 178.5845 100 K 3.7334 8.0334 120.1152 59.5305 32.1047 178.6282 101 A 3.8423 7.7740 120.5693 55.0550 18.2669 179.5314 102 A 3.4640 7.6533 119.0215 54.8035 18.4072 179.4287 103 A 3.8670 8.2480 119.7560 55.6928 18.3678 179.9721 104 I 3.6543 7.8188 118.1191 64.6321 36.8905 177.9510 105 C 4.2139 7.8878 118.6346 59.5363 43.2243 175.3230 106 F 4.5071 8.1322 119.8868 60.4280 38.4805 177.4704 107 R 3.9511 8.0023 118.2604 59.6937 29.8140 178.0704 108 D 4.7388 8.2555 116.0155 55.9188 40.9010 176.5699 109 N 5.1644 8.0894 116.4932 52.8169 40.0871 176.3909 110 L 4.2445 8.0553 121.2831 57.2893 41.7618 179.4069 111 K 4.1789 8.1466 116.7051 58.6109 32.9422 177.5388 112 T 4.4897 7.5878 108.0121 61.1864 69.0964 173.3043 113 Y 4.0766 7.8477 124.4808 58.2614 38.7680 175.0932 114 K 4.5395 9.2412 129.1744 54.4846 33.0469 177.8699 115 K 3.8946 8.8821 124.7246 59.7211 32.3971 179.1572 116 R 3.8330 7.7246 114.7237 58.4381 29.5343 176.6460 117 Y 4.5647 7.3942 115.4757 57.6717 38.1523 176.9117 118 M 3.9901 7.6523 121.0945 58.2697 32.6783 176.6617 119 A 4.8537 7.4160 119.2821 50.6490 19.1513 173.4476 120 Y 4.2842 8.2197 120.0723 55.3220 39.6454 173.6351 121 P 4.1622 0.0000 0.0000 62.8140 31.9623 177.1799 122 D 4.2276 8.7058 123.2189 55.9617 39.5434 178.0279 *124 I 4.0854 7.5712 111.3562 60.3271 39.1996 175.9498 125 L 4.1009 7.7777 121.8866 56.2713 42.1581 175.7952 126 C 4.6878 7.9253 116.7108 56.3978 37.2076 173.7531 127 S 4.4050 8.5880 118.8882 58.4117 63.2270 175.6028 128 S 4.0001 8.6067 115.4740 60.8188 63.1656 174.6665 129 K 4.3358 7.7757 121.8179 54.4792 31.8110 176.5611 130 S 5.1878 8.4054 120.5176 58.0390 63.4286 174.2990 131 E 4.3024 8.1588 122.0504 56.0770 30.1459 176.0833 132 K 4.7240 8.4460 123.2994 55.3974 35.1615 177.1299 133 C 4.3411 8.6132 117.3578 57.4150 41.2171 173.8216 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 1 H 8.30 4.84 0.00 3.23 3.19 0.00 5.87 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.39 4.01 0.00 1.93 1.75 1.10 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.04 4.09 0.00 1.94 1.78 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.15 4.15 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 5 F 8.37 4.48 0.00 3.34 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 6 R 8.38 3.79 0.00 2.14 1.98 0.00 3.25 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 7 K 8.36 4.05 0.00 1.99 2.16 0.00 1.81 0.00 0.00 1.98 0.00 0.00 3.14 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.67 1.62 7.81 8 M 8.17 4.32 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.41 0.00 9 I 7.77 3.69 1.84 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.38 0.76 0.00 0.00 10 K 8.15 4.54 0.00 1.91 2.03 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.39 7.81 11 K 8.19 4.06 0.00 2.27 2.22 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.05 1.27 7.81 12 M 8.34 4.40 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.05 0.00 13 T 8.13 4.49 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 1.31 0.00 0.00 14 G 8.58 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.47 4.27 0.00 1.89 1.66 0.00 1.66 0.00 0.00 1.23 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.47 7.81 17 E 8.36 4.49 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 18 P 0.00 4.55 0.00 2.19 2.03 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 19 V 7.91 3.60 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.97 0.00 0.00 20 V 7.70 3.75 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 0.90 0.00 0.00 0.99 0.00 0.00 21 S 7.44 4.47 0.00 3.14 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.22 4.68 0.00 3.00 2.54 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 0.00 0.00 0.00 0.00 23 A 8.54 4.02 0.95 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 0.00 0.00 0.00 0.00 0.00 24 F 8.01 4.95 0.00 3.31 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.27 4.17 0.00 2.99 2.90 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 26 G 8.22 3.57 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 0.00 0.00 0.00 27 C 8.85 4.57 0.00 2.99 3.12 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 28 Y 8.51 4.43 0.00 3.36 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.45 4.61 0.00 3.47 3.52 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 30 G 7.87 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 0.00 0.00 0.00 31 S 8.45 4.20 0.00 3.92 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 32 G 8.51 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 0.00 0.00 0.00 33 G 7.81 4.47 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 0.00 34 R 7.05 4.51 0.00 1.79 1.65 0.00 3.27 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 35 G 8.65 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.60 4.81 0.00 1.77 1.74 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.32 7.81 37 P 0.00 4.47 0.00 1.88 2.08 0.00 3.44 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.56 0.00 38 K 8.77 3.91 0.00 0.84 0.79 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.14 0.21 7.81 39 D 7.12 4.44 0.00 2.84 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 40 A 8.61 4.01 1.41 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 0.00 0.00 0.00 41 T 8.05 3.98 3.97 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 0.00 0.00 0.89 0.00 0.00 42 D 8.60 4.57 0.00 3.07 2.84 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 43 R 8.19 3.92 0.00 2.00 2.10 0.00 3.15 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 44 C 8.32 4.16 0.00 3.25 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 45 C 8.32 4.36 0.00 3.50 3.35 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 0.00 46 F 8.50 3.81 0.00 2.44 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 47 V 7.94 3.21 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 0.86 0.00 0.00 0.97 0.00 0.00 48 H 8.12 3.81 0.00 3.05 3.29 0.00 5.65 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 49 D 8.09 4.21 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.85 4.12 0.00 2.76 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.97 4.15 0.00 2.96 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 52 Y 7.95 4.17 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.01 3.98 0.00 2.15 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 2.30 2.34 0.00 54 K 7.59 4.26 0.00 1.82 1.79 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.42 1.38 7.81 55 V 6.99 4.08 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 0.68 0.00 0.00 0.92 0.00 0.00 56 T 8.03 4.53 4.23 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 1.17 0.00 0.00 *59 G 8.70 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 0.00 0.00 0.00 0.00 *61 C 7.55 5.14 0.00 3.45 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.10 4.81 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 3.88 0.00 1.16 0.49 0.00 3.46 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 69 K 8.00 4.23 0.00 1.80 1.87 0.00 1.49 0.00 0.00 1.58 0.00 0.00 3.13 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.45 1.55 7.81 70 W 8.13 4.80 0.00 3.44 3.10 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 71 D 8.14 4.72 0.00 2.81 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 5.20 0.00 2.60 2.50 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 0.00 0.00 0.00 73 Y 7.52 4.65 0.00 3.05 3.12 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 74 T 8.47 4.78 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 75 Y 8.59 5.53 0.00 3.04 2.93 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 76 S 8.99 4.49 0.00 3.88 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 77 W 8.80 5.02 0.00 3.19 3.27 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 78 K 9.25 4.43 0.00 1.79 1.66 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.47 7.81 79 N 10.11 4.26 0.00 2.87 2.87 0.00 0.00 7.22 7.65 0.00 0.00 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 G 8.64 4.10 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 0.00 0.00 0.00 81 T 8.20 4.76 4.49 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 1.21 0.00 0.00 82 I 7.98 3.94 1.55 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.36 0.62 0.00 0.00 83 V 8.84 4.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.93 0.00 0.00 84 C 8.89 4.92 0.00 2.96 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 85 G 8.88 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.90 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 0.00 0.00 0.00 *88 D 8.24 4.86 0.00 2.83 2.84 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 89 D 7.70 4.67 0.00 2.74 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 90 P 0.00 4.22 0.00 2.28 2.29 0.00 3.75 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 2.06 2.02 0.00 91 C 8.23 4.39 0.00 2.99 3.25 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 92 K 8.31 3.94 0.00 2.06 1.98 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.61 7.81 93 K 7.90 3.86 0.00 1.88 1.90 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.40 7.81 94 E 7.93 3.84 0.00 2.21 1.92 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 2.28 2.53 0.00 95 V 7.59 3.49 2.28 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 0.99 0.00 0.00 0.87 0.00 0.00 96 C 7.65 2.74 0.00 1.86 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.25 3.68 0.00 2.06 1.86 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 2.45 2.40 0.00 98 C 8.39 4.15 0.00 3.16 2.95 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 0.00 0.00 0.00 99 D 7.98 3.79 0.00 2.70 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 0.00 100 K 8.03 3.73 0.00 1.59 1.78 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.30 7.81 101 A 7.77 3.84 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 0.00 102 A 7.65 3.46 0.97 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 0.00 0.00 0.00 0.00 0.00 103 A 8.25 3.87 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 0.00 104 I 7.82 3.65 1.93 0.00 0.00 0.80 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 0.75 0.89 0.00 0.00 105 C 7.89 4.21 0.00 2.94 2.94 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 0.00 0.00 0.00 106 F 8.13 4.51 0.00 2.92 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 0.00 107 R 8.00 3.95 0.00 2.06 2.16 0.00 3.30 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 108 D 8.26 4.74 0.00 2.68 2.73 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 0.00 109 N 8.09 5.16 0.00 2.92 2.83 0.00 0.00 6.91 6.41 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 0.00 110 L 8.06 4.24 0.00 1.86 1.75 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 111 K 8.15 4.18 0.00 1.91 1.98 0.00 1.56 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.48 7.81 112 T 7.59 4.49 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 1.28 0.00 0.00 113 Y 7.85 4.08 0.00 3.05 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.24 4.54 0.00 1.92 1.36 0.00 1.68 0.00 0.00 2.04 0.00 0.00 3.47 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.18 1.34 7.81 115 K 8.88 3.89 0.00 1.98 2.19 0.00 1.35 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.62 7.81 116 R 7.72 3.83 0.00 1.71 1.89 0.00 2.21 0.00 0.00 2.88 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 117 Y 7.39 4.56 0.00 1.83 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 0.00 0.00 0.00 118 M 7.65 3.99 0.00 2.05 2.35 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.63 0.00 119 A 7.42 4.85 1.13 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 0.00 120 Y 8.22 4.28 0.00 3.09 3.08 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 0.00 121 P 0.00 4.16 0.00 1.94 1.84 0.00 2.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 122 D 8.71 4.23 0.00 2.82 2.95 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 0.00 0.00 0.00 *124 I 7.57 4.09 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.51 0.88 0.00 0.00 125 L 7.78 4.10 0.00 1.33 1.26 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.93 4.69 0.00 3.11 3.17 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 0.00 127 S 8.59 4.41 0.00 4.01 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 0.00 128 S 8.61 4.00 0.00 4.01 4.03 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 0.00 129 K 7.78 4.34 0.00 1.75 1.83 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.52 7.81 130 S 8.41 5.19 0.00 3.85 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.16 4.30 0.00 1.67 1.13 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 2.22 2.15 0.00 132 K 8.45 4.72 0.00 1.85 1.84 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.43 7.81 133 C 8.61 4.34 0.00 2.92 2.90 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 * Residues marked with a * may have inaccurate shift predictions.