NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.1113 8.2649 123.5603 51.7764 18.9469 175.7029 7 K 4.4751 7.7219 120.3096 53.3369 34.7599 174.8543 8 L 4.3454 8.9565 121.4249 55.6061 43.2021 176.6824 9 N 4.2882 8.8065 116.4513 54.3200 37.1751 173.7480 10 H 5.1858 7.5688 113.8786 52.7531 32.4258 171.2173 11 P 4.6451 0.0000 0.0000 63.0854 31.0210 175.8212 12 A 4.1576 8.6391 126.5434 51.1780 19.2799 175.4499 13 P 4.0986 0.0000 0.0000 62.4965 31.8272 176.2027 14 E 4.1947 8.7184 125.0095 56.0406 30.3698 175.6617 15 F 5.1173 8.0393 120.9658 55.3400 41.5161 174.0623 16 D 4.9801 8.7159 121.2551 54.9067 42.9167 172.9396 17 D 4.5064 9.5955 134.1600 54.1848 47.3800 177.4105 *19 A 4.4041 9.1188 116.5315 51.5911 20.4810 177.6648 20 L 4.8158 8.5362 123.1713 54.1422 43.4425 174.9499 *22 P 4.4725 0.0000 0.0000 62.4485 32.3162 177.8318 23 N 4.2044 7.7605 114.1212 53.6004 37.4112 174.6431 24 G 4.3521 7.2014 113.8563 44.6915 0.0000 172.8377 25 T 4.0077 7.8086 116.7911 63.0837 69.2948 173.8836 26 F 5.2804 8.4851 121.0615 56.0901 40.5269 174.9310 27 K 4.6880 8.7464 124.9796 54.1369 35.1012 175.4839 28 K 4.4435 8.7319 127.9005 55.9781 32.7547 175.8200 29 V 4.6147 8.9577 128.8491 61.4210 33.9711 174.6565 30 S 5.1580 8.3041 119.0968 55.7415 65.7270 174.9517 31 L 3.5906 7.6456 123.8058 57.9314 41.5362 179.5873 32 S 4.1467 7.8935 114.1422 60.9755 62.7233 176.4131 33 S 4.0346 7.8007 118.6337 61.7664 62.8756 175.4444 34 Y 4.5737 7.8884 116.8694 57.2033 37.6642 174.1333 35 K 4.1010 7.8672 122.4646 59.9246 31.9475 174.6420 36 G 3.6558 7.0119 121.9716 45.0830 0.0000 171.8343 37 K 4.8432 8.2645 119.9526 54.3859 36.1999 175.3062 38 Y 4.4969 8.8177 119.0661 57.8876 39.3745 175.1927 39 V 4.8262 9.0769 122.2205 61.0821 35.5452 174.5791 40 V 4.6789 8.5881 126.7882 61.2411 33.7036 173.6044 41 L 4.9696 8.7222 131.3312 53.4635 43.4045 175.2001 42 F 5.5175 8.2218 119.8315 55.3815 41.3720 173.4948 43 F 5.1727 9.9028 119.6157 55.3703 42.2052 174.0320 44 Y 4.9054 7.7983 117.3450 55.2070 40.4487 173.0446 45 P 4.2300 0.0000 0.0000 65.9880 31.3383 177.2370 *47 D 3.6466 7.6394 116.3167 54.0450 42.9164 176.0502 48 F 4.1327 6.4875 119.5397 56.5301 37.5077 175.0394 49 T 4.0902 7.1694 117.8789 61.9352 68.3089 174.4948 50 F 5.2018 8.8909 125.4747 58.1223 38.8751 175.4720 51 V 4.4931 7.4596 114.6134 60.3015 34.8339 174.2239 52 C 4.4915 8.5755 119.3034 59.2889 28.0160 173.5511 53 P 4.7159 0.0000 0.0000 62.8033 30.7577 178.5302 54 T 3.8605 8.7128 118.9885 67.1676 68.0140 175.2065 55 E 4.0735 8.3037 120.2743 59.4742 29.5294 178.4512 56 I 4.0459 7.8924 118.8352 64.7307 37.2089 178.2269 57 I 3.6935 8.1688 120.5535 64.6788 36.9346 178.2801 58 Q 3.8774 8.6560 119.3363 59.2719 28.3084 179.9986 59 F 3.9254 7.6580 116.8367 60.6355 39.0653 177.0299 60 S 4.3479 7.6540 111.3961 61.8566 62.3345 175.9097 61 D 4.5044 8.4489 121.4382 57.5005 40.7531 178.1251 62 D 4.4744 8.3096 116.6787 55.1833 40.5948 178.0151 63 A 4.2320 7.9397 123.6791 55.3324 18.3888 179.6603 64 K 3.8345 8.1091 117.2837 59.9260 32.1243 178.5112 65 R 3.8745 8.0258 117.0467 59.5508 30.0153 178.1256 66 F 4.2533 8.6692 117.5392 60.6544 38.9853 177.2821 67 A 4.2214 8.5950 122.1530 54.7235 17.8320 179.1891 68 E 3.9986 8.2709 116.7185 58.2672 29.7012 177.1045 69 I 4.3762 8.5051 120.0046 60.8068 38.6417 175.0741 70 N 4.8081 8.2715 113.4400 54.1828 38.1410 172.3537 71 T 5.3514 7.5971 105.4987 59.4066 71.7246 172.3016 72 E 4.9471 9.3398 125.8435 54.6818 32.4417 174.8395 73 V 4.8685 8.1787 116.8911 59.8854 35.6031 174.7779 74 I 4.6754 8.5078 121.6155 60.1622 41.7998 174.6346 75 S 3.6864 7.9420 123.8918 56.8453 65.4917 172.5005 76 C 4.7387 7.5171 114.9768 59.6098 35.2100 172.7897 77 S 4.4495 7.4700 117.9215 57.3494 65.8678 173.9199 78 C 4.9538 8.2963 115.5173 60.3485 28.0421 173.5710 79 D 4.8979 7.2965 118.8121 52.2838 42.6981 177.3835 80 S 4.2300 8.2254 116.8579 58.0763 64.7807 174.9103 81 E 3.7534 8.8048 122.8594 60.4107 28.7952 179.3441 82 Y 4.2750 8.3077 116.7996 60.9008 37.8376 177.9741 83 S 4.4477 7.7518 112.2784 61.5935 62.7818 175.4146 84 H 4.8227 8.5798 120.7213 58.4168 28.5503 177.1322 85 L 4.0758 8.0130 121.4249 58.5835 41.4098 178.8231 86 Q 4.2728 8.3106 118.9072 59.1616 28.7825 178.2952 87 W 4.9435 8.7385 129.4093 60.5520 30.7405 177.8590 88 T 3.9828 8.0320 112.5478 64.2772 66.6682 176.4114 89 S 4.2628 8.3852 116.4356 60.2080 63.8673 175.2985 90 V 3.7275 7.2489 121.7498 62.2759 32.0722 174.7428 91 D 4.6504 8.6966 127.0318 54.0872 41.2196 177.1024 92 R 3.9012 8.7282 124.2540 58.7717 30.1890 177.2042 93 K 3.9916 8.0955 117.6220 58.5155 33.0485 177.0694 94 K 4.3351 8.6327 121.8534 55.5738 31.1606 176.7999 95 G 4.1093 8.0160 103.7646 46.3261 0.0000 173.8490 96 G 4.0282 7.3664 108.7252 44.4840 0.0000 173.5411 97 L 3.8483 7.4519 118.9111 54.1292 43.9115 177.1939 98 G 3.9121 7.2329 108.5883 43.5587 0.0000 170.8605 99 P 3.8865 0.0000 0.0000 61.4332 32.2588 176.2295 *101 A 4.3148 8.2602 119.5939 51.7416 19.9893 176.2799 102 I 4.6814 7.4496 116.6820 58.8192 40.5591 175.9720 103 P 4.7138 0.0000 0.0000 62.2298 31.6063 175.0372 *105 L 4.3121 8.2904 120.4182 55.7312 43.5839 176.4714 106 A 4.6916 8.3756 122.9186 50.6895 21.3011 175.3806 107 D 4.6875 8.4136 122.5855 52.2522 38.8773 177.5712 108 K 3.9955 8.4072 126.4165 59.7557 32.9497 178.5286 109 T 3.9093 7.8161 113.2011 62.7647 67.7209 175.9192 110 K 4.1051 8.2706 118.6600 56.7195 30.8715 177.4900 111 A 4.0307 7.5394 121.3031 55.2672 18.1307 180.1606 112 I 3.7880 7.8885 117.4238 64.5147 37.3835 177.9654 113 A 3.8710 8.2208 121.6249 55.4799 18.0691 179.8657 114 R 3.8085 8.0013 115.9424 59.4736 29.9616 178.9926 115 A 3.9061 7.7506 119.1126 54.9952 18.3793 178.3024 116 Y 3.9446 7.8826 112.0105 56.4296 38.7896 175.6998 117 G 3.9202 8.0626 108.1460 47.2292 0.0000 174.5765 118 V 4.2073 7.7455 116.9742 61.9396 33.3616 174.6782 119 L 4.4689 7.7251 121.0801 55.3405 42.7342 176.0369 120 D 4.8595 8.6107 125.9260 52.1588 40.1435 176.0626 121 E 4.0219 8.7871 125.1835 59.4490 29.9409 178.9061 122 D 4.5103 8.2724 117.3816 56.9969 41.1143 177.4041 123 S 4.2998 8.0046 112.1137 58.7083 63.8528 175.2955 124 G 3.9656 8.9389 107.9130 44.6709 0.0000 172.5749 125 V 4.5655 7.6008 111.5361 59.0949 35.9033 174.6049 126 A 5.0201 8.3256 123.0492 51.4369 20.3559 176.6788 127 Y 4.2038 8.5589 117.9259 56.9496 39.9552 177.5328 128 R 4.6845 8.0668 119.6683 55.7872 28.4223 176.1346 129 G 4.4876 8.4830 110.0465 44.6014 0.0000 169.9177 130 V 5.1721 8.5698 121.2002 61.3400 35.2386 173.8174 131 F 5.5672 9.8287 126.0170 54.7116 43.3619 174.0617 132 I 5.0800 8.5962 121.8721 59.8948 39.9388 174.3299 133 I 5.0200 8.8522 129.1357 59.7188 39.4406 175.7526 134 D 4.3409 9.0541 126.8759 51.5260 40.6922 175.5795 135 P 4.5821 0.0000 0.0000 64.7444 31.2675 177.8182 136 N 4.5437 8.1163 112.8913 53.2225 38.9622 175.5724 137 G 3.8787 8.7166 107.7776 45.6175 0.0000 172.9800 138 K 4.7822 8.3468 119.0314 53.9137 34.1360 175.4687 139 L 4.5599 8.2965 125.0442 55.2188 42.9405 177.0629 140 R 4.9776 9.0444 123.1735 55.4634 32.8606 174.8571 141 Q 4.6140 7.9075 118.8403 55.3150 32.4978 172.6851 142 I 4.6915 8.4629 126.6422 59.6385 40.6741 175.2122 143 I 4.4111 7.5079 126.2785 60.2615 41.9296 173.9277 144 I 4.8926 8.2479 127.1908 59.7175 39.5344 174.6544 145 N 4.8307 9.4942 125.5653 51.9509 40.7260 177.0888 146 D 4.9023 8.8622 123.1005 54.5176 40.2894 176.4661 *148 P 4.3515 0.0000 0.0000 61.6659 33.1752 175.8198 149 I 4.2545 7.4556 120.5708 59.2301 37.0884 175.9869 150 G 3.8515 8.5420 114.5415 45.6776 0.0000 171.8835 151 R 4.4718 8.8460 119.6446 54.5489 32.2222 176.3909 152 N 4.6829 8.1986 117.9735 51.6398 39.0784 174.8720 153 V 3.3035 8.1164 125.9138 65.9915 31.3649 177.1197 154 E 3.8066 8.1622 117.5759 59.3981 29.2381 178.7655 155 E 3.9007 8.1558 119.1007 59.3384 29.6405 178.7805 156 V 3.6944 7.9328 117.6865 66.2975 31.4562 177.8002 157 I 3.7551 7.7525 119.1481 64.4212 36.8840 177.9802 158 R 3.9698 8.2627 119.9765 59.7980 29.8303 178.1423 159 L 4.0225 8.3844 118.6763 57.8280 41.5731 179.7013 160 V 3.4901 8.0099 118.0737 66.0616 31.5199 177.5723 161 E 3.9650 8.7943 118.3225 59.6093 29.2977 179.1146 162 A 3.2398 8.7564 121.1813 55.1177 18.2980 179.6512 163 L 3.9583 8.2892 117.3678 58.2129 41.7705 179.7663 164 Q 4.0858 8.2387 118.1959 58.7998 28.5247 178.5519 165 F 3.9338 8.5629 122.1397 61.6377 39.1468 177.5603 166 V 3.9545 7.4573 116.0832 65.7715 31.2893 177.3714 167 E 4.1160 7.7845 118.3141 59.0997 29.6239 178.2208 168 E 3.9963 8.3717 117.7335 60.3701 29.9797 176.5152 169 H 4.9531 8.1635 114.7215 54.3392 31.2211 175.3602 170 G 4.0534 8.7164 110.2716 45.7783 0.0000 171.9878 171 E 4.6366 8.1681 119.7468 54.2311 32.3281 174.5172 172 V 4.1607 7.4689 113.1972 59.7693 33.7345 175.1495 173 C 4.2295 7.9206 117.9511 57.2204 29.3843 172.4879 174 P 4.4201 0.0000 0.0000 61.6730 31.7645 175.6588 175 A 3.8542 8.6464 120.7614 53.6896 18.4195 178.3629 176 N 3.9240 8.3995 109.4087 54.4348 35.0371 173.2362 177 W 4.4435 8.2690 134.6365 57.3878 31.9532 176.4052 178 K 3.6235 7.9717 123.2350 56.5327 30.7721 176.1298 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 6 A 8.26 4.11 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 7 K 7.72 4.48 0.00 1.96 1.79 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.53 7.81 8 L 8.96 4.35 0.00 1.77 1.58 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.81 4.29 0.00 2.75 2.82 0.00 0.00 6.74 8.01 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 10 H 7.57 5.19 0.00 3.24 3.09 0.00 5.66 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.65 0.00 2.05 2.12 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 12 A 8.64 4.16 1.38 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 0.00 0.00 13 P 0.00 4.10 0.00 1.53 1.75 0.00 3.00 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.68 0.00 14 E 8.72 4.19 0.00 1.91 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 2.24 2.29 0.00 15 F 8.04 5.12 0.00 3.13 3.20 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 16 D 8.72 4.98 0.00 2.67 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 17 D 9.60 4.51 0.00 2.79 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 0.00 0.00 0.00 *19 A 9.12 4.40 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 20 L 8.54 4.82 0.00 1.87 1.77 1.12 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *22 P 0.00 4.47 0.00 2.13 2.16 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 23 N 7.76 4.20 0.00 2.81 2.84 0.00 0.00 5.84 7.00 0.00 0.00 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 G 7.20 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 0.00 0.00 0.00 0.00 25 T 7.81 4.01 4.27 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 1.22 0.00 0.00 26 F 8.49 5.28 0.00 2.88 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 27 K 8.75 4.69 0.00 1.81 1.70 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.37 7.81 28 K 8.73 4.44 0.00 1.83 1.74 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.59 1.36 7.81 29 V 8.96 4.61 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 1.25 0.00 0.00 1.03 0.00 0.00 30 S 8.30 5.16 0.00 3.97 3.87 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 31 L 7.65 3.59 0.00 0.27 1.26 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.89 4.15 0.00 4.00 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 33 S 7.80 4.03 0.00 3.67 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 34 Y 7.89 4.57 0.00 3.16 3.02 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 35 K 7.87 4.10 0.00 1.82 1.79 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.41 7.81 36 G 7.01 3.66 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 0.00 0.00 0.00 37 K 8.26 4.84 0.00 1.83 2.06 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 38 Y 8.82 4.50 0.00 3.06 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 39 V 9.08 4.83 2.03 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 0.70 0.00 0.00 0.81 0.00 0.00 40 V 8.59 4.68 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 0.92 0.00 0.00 0.76 0.00 0.00 41 L 8.72 4.97 0.00 1.59 1.43 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.22 5.52 0.00 2.98 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 43 F 9.90 5.17 0.00 3.13 2.88 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 44 Y 7.80 4.91 0.00 2.96 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 45 P 0.00 4.23 0.00 2.07 2.11 0.00 3.88 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 2.05 2.29 0.00 *47 D 7.64 3.65 0.00 2.20 1.54 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 48 F 6.49 4.13 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 49 T 7.17 4.09 4.26 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 1.56 0.00 0.00 50 F 8.89 5.20 0.00 2.98 3.07 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 51 V 7.46 4.49 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 0.81 0.00 0.00 1.04 0.00 0.00 52 C 8.58 4.49 0.00 3.02 2.91 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 53 P 0.00 4.72 0.00 2.00 1.96 0.00 3.65 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.53 0.00 54 T 8.71 3.86 4.27 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 1.20 0.00 0.00 55 E 8.30 4.07 0.00 2.14 2.07 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 2.68 2.61 0.00 56 I 7.89 4.05 1.79 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.84 0.00 0.00 57 I 8.17 3.69 2.04 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.90 0.00 0.00 58 Q 8.66 3.88 0.00 2.24 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 59 F 7.66 3.93 0.00 3.04 2.92 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 60 S 7.65 4.35 0.00 3.87 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 61 D 8.45 4.50 0.00 2.83 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 62 D 8.31 4.47 0.00 2.81 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 63 A 7.94 4.23 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 64 K 8.11 3.83 0.00 1.90 1.83 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.59 7.81 65 R 8.03 3.87 0.00 1.75 1.97 0.00 3.18 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.62 0.00 66 F 8.67 4.25 0.00 3.41 3.26 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 67 A 8.59 4.22 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 68 E 8.27 4.00 0.00 2.25 2.07 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 2.34 2.34 0.00 69 I 8.51 4.38 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.16 1.04 0.00 0.00 70 N 8.27 4.81 0.00 3.03 2.98 0.00 0.00 6.78 8.52 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 71 T 7.60 5.35 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 1.41 0.00 0.00 72 E 9.34 4.95 0.00 2.33 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 2.86 2.52 0.00 73 V 8.18 4.87 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 0.35 0.00 0.00 1.01 0.00 0.00 74 I 8.51 4.68 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.33 0.63 0.00 0.00 75 S 7.94 3.69 0.00 3.10 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.52 4.74 0.00 2.22 1.52 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 77 S 7.47 4.45 0.00 3.23 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 78 C 8.30 4.95 0.00 2.90 2.91 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 79 D 7.30 4.90 0.00 2.65 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 80 S 8.23 4.23 0.00 4.04 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 81 E 8.80 3.75 0.00 1.16 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 2.28 2.59 0.00 82 Y 8.31 4.28 0.00 3.09 3.22 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 83 S 7.75 4.45 0.00 4.03 4.06 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 84 H 8.58 4.82 0.00 3.62 3.50 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.01 4.08 0.00 1.88 1.96 0.92 0.49 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 86 Q 8.31 4.27 0.00 2.40 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 87 W 8.74 4.94 0.00 3.44 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 88 T 8.03 3.98 4.31 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 1.34 0.00 0.00 89 S 8.39 4.26 0.00 4.06 4.18 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 90 V 7.25 3.73 2.23 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 1.06 0.00 0.00 1.14 0.00 0.00 91 D 8.70 4.65 0.00 2.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.02 2.12 0.00 *101 A 8.26 4.31 1.39 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 0.00 0.00 102 I 7.45 4.68 1.98 0.00 0.00 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 1.52 1.13 1.08 0.00 0.00 103 P 0.00 4.71 0.00 2.27 2.00 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 *105 L 8.29 4.31 0.00 1.50 1.38 0.12 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.38 4.69 1.12 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 0.00 0.00 107 D 8.41 4.69 0.00 2.69 2.79 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 0.00 108 K 8.41 4.00 0.00 1.71 1.87 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.35 7.81 109 T 7.82 3.91 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 1.27 0.00 0.00 110 K 8.27 4.11 0.00 2.05 1.95 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.35 7.81 111 A 7.54 4.03 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 0.00 112 I 7.89 3.79 2.13 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.59 1.03 0.00 0.00 113 A 8.22 3.87 1.36 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 0.00 114 R 8.00 3.81 0.00 2.05 1.98 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 115 A 7.75 3.91 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 0.00 116 Y 7.88 3.94 0.00 2.58 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.06 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 0.00 118 V 7.75 4.21 1.47 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 135 P 0.00 4.58 0.00 2.00 2.16 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 136 N 8.12 4.54 0.00 2.79 2.82 0.00 0.00 7.03 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 0.00 137 G 8.72 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 0.00 138 K 8.35 4.78 0.00 2.10 1.72 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.34 7.81 139 L 8.30 4.56 0.00 1.89 1.76 1.35 1.00 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 0.00 140 R 9.04 4.98 0.00 1.77 1.94 0.00 3.58 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 141 Q 7.91 4.61 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 142 I 8.46 4.69 1.90 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 1.71 0.95 0.92 0.00 0.00 143 I 7.51 4.41 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.53 0.93 0.00 0.00 144 I 8.25 4.89 1.81 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.49 0.86 0.00 0.00 145 N 9.49 4.83 0.00 2.89 2.93 0.00 0.00 6.32 8.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.86 4.90 0.00 2.77 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 0.00 0.00 0.00 *148 P 0.00 4.35 0.00 2.14 2.15 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.14 0.00 149 I 7.46 4.25 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.45 0.96 0.00 0.00 150 G 8.54 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 0.00 0.00 0.00 151 R 8.85 4.47 0.00 2.00 1.98 0.00 3.35 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 152 N 8.20 4.68 0.00 2.75 2.69 0.00 0.00 6.49 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 0.00 153 V 8.12 3.30 1.76 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 0.53 0.00 0.00 0.11 0.00 0.00 154 E 8.16 3.81 0.00 2.12 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 2.29 2.24 0.00 155 E 8.16 3.90 0.00 2.09 2.15 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 2.33 2.40 0.00 156 V 7.93 3.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 1.07 0.00 0.00 157 I 7.75 3.76 1.91 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.51 0.71 0.00 0.00 158 R 8.26 3.97 0.00 1.99 2.25 0.00 3.65 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 159 L 8.38 4.02 0.00 2.01 1.77 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 160 V 8.01 3.49 2.26 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 0.90 0.00 0.00 1.19 0.00 0.00 161 E 8.79 3.97 0.00 2.45 2.34 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 2.40 2.59 0.00 162 A 8.76 3.24 1.24 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 0.00 0.00 163 L 8.29 3.96 0.00 1.90 1.87 1.07 0.88 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 0.00 164 Q 8.24 4.09 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 165 F 8.56 3.93 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 7.46 3.95 2.23 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 0.90 0.00 0.00 0.92 0.00 0.00 167 E 7.78 4.12 0.00 2.08 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 2.41 2.43 0.00 168 E 8.37 4.00 0.00 1.89 1.51 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 0.00 2.29 2.40 0.00 169 H 8.16 4.95 0.00 3.01 3.20 0.00 5.60 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 0.00 170 G 8.72 4.05 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 0.00 0.00 0.00 171 E 8.17 4.64 0.00 1.99 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 2.24 2.37 0.00 172 V 7.47 4.16 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 0.73 0.00 0.00 0.88 0.00 0.00 173 C 7.92 4.23 0.00 2.49 2.17 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 0.00 174 P 0.00 4.42 0.00 2.20 2.10 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 175 A 8.65 3.85 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 0.00 176 N 8.40 3.92 0.00 2.81 3.05 0.00 0.00 6.89 7.68 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 0.00 177 W 8.27 4.44 0.00 3.18 3.16 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 0.00 0.00 0.00 0.00 178 K 7.97 3.62 0.00 0.79 1.29 0.00 1.44 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.74 0.21 7.81 * Residues marked with a * may have inaccurate shift predictions.