NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.5973 7.8676 121.4055 61.2674 39.2762 173.9080 3 I 4.8322 8.6266 120.4669 58.9421 40.7214 172.7096 4 T 4.9134 8.5996 123.1924 61.8801 71.6013 174.9013 5 V 4.7948 8.7685 126.7353 61.3875 33.0904 174.1996 6 A 5.6924 9.0246 129.9745 49.0082 22.3066 174.7245 7 S 4.5635 8.2650 114.7327 56.6218 66.9657 174.4545 8 F 4.7215 8.5036 117.9103 57.0850 39.4223 175.6097 9 K 4.4644 7.4565 119.4471 55.3789 34.6553 174.8014 10 G 3.8203 8.5644 113.4214 46.3719 0.0000 173.8010 11 G 3.9507 8.8484 109.6995 45.7085 0.0000 175.1804 12 V 3.6657 7.6720 114.2798 62.2440 31.9759 177.6932 13 G 3.9400 8.3290 107.5418 45.2298 0.0000 174.6898 14 K 3.8359 8.1818 121.1921 60.0890 31.9711 178.2754 15 T 3.8474 7.9114 114.9336 67.1016 68.4510 176.6823 16 T 3.9936 8.0557 117.3289 66.7631 68.3834 176.6378 17 T 3.5688 8.3443 113.0813 63.8083 68.9687 176.7201 18 A 3.7699 7.8712 123.6614 54.8881 18.3495 179.7822 19 V 3.2984 7.8285 117.1004 66.3739 31.5944 177.9477 20 H 4.2924 7.8741 115.8098 58.3575 28.6180 177.7578 21 L 4.0588 8.4138 121.9341 57.6556 41.3880 179.4660 22 S 3.9114 7.8177 114.8843 60.8599 62.3940 176.4059 23 A 4.2874 7.8523 123.0192 55.1713 18.1328 178.5573 24 Y 4.3380 8.3022 118.4761 60.7000 38.8745 177.6433 25 L 3.9876 8.4261 119.3884 58.1013 41.4658 179.4305 26 A 4.4027 7.9889 121.7667 54.7192 18.0387 179.6577 27 L 3.7562 7.8977 116.1364 57.1612 41.6588 178.4786 28 Q 4.5432 7.7733 118.1964 56.1504 30.4738 174.7033 29 G 4.0268 7.0377 106.7028 44.6624 0.0000 171.6074 30 E 4.5686 8.5076 118.8651 56.2678 30.7511 176.4348 31 T 5.1274 8.7472 119.6861 61.8581 72.7515 172.7631 32 L 4.2631 9.2814 128.3799 52.9694 44.7543 174.6245 33 L 4.8602 8.6772 128.6821 53.4859 43.8497 175.0512 34 I 4.4413 8.2263 128.3880 60.7219 39.0333 174.6198 35 D 4.9277 9.0480 127.4102 52.4420 42.4504 175.9870 36 G 4.2853 8.7636 113.9584 45.8637 0.0000 170.7738 37 D 4.8787 8.0614 120.7717 51.5331 42.1492 175.4474 38 P 4.2821 0.0000 0.0000 65.7102 31.4201 176.9639 39 N 4.5340 8.1524 113.0450 52.9885 37.7008 174.9427 40 R 4.5336 8.9074 117.6571 55.6348 28.9022 178.6611 41 S 4.1576 8.7870 114.5198 61.7458 62.9593 175.0671 42 A 4.1164 8.2145 123.9846 55.5051 17.9960 179.6461 43 T 4.0240 8.2615 114.1687 66.4206 68.5542 177.3069 44 G 3.6508 8.1223 107.3567 47.5463 0.0000 175.1979 45 W 4.2802 8.4312 131.3938 60.2493 30.5003 178.2537 46 G 3.6379 7.8929 103.8206 47.8359 0.0000 175.5994 47 K 4.1484 8.2434 120.7980 58.8802 31.8411 179.0052 48 R 4.2771 7.9632 117.4819 58.0146 30.5267 176.2483 49 G 4.2934 8.0850 107.1038 47.0737 0.0000 174.4008 50 S 4.7665 8.7117 121.1052 57.5652 67.2112 172.3456 51 L 4.3335 7.8328 117.5611 52.6272 46.2759 174.2603 52 P 4.4639 0.0000 0.0000 62.5193 31.7499 175.6011 53 F 5.0014 6.8323 112.1704 55.8926 41.0072 173.7998 54 K 4.0352 9.0005 122.5989 57.1605 33.1649 175.4335 55 V 4.9267 8.1962 125.3077 60.1067 33.9899 174.8850 56 V 4.4406 8.5463 116.4287 59.5282 36.5848 173.7926 57 D 4.8728 8.9348 121.1121 53.0418 42.2741 176.7770 58 E 3.7473 8.9712 124.9961 59.6075 29.6384 178.9982 59 R 4.2741 8.4793 115.3820 57.4791 30.3755 176.8020 60 Q 4.7219 8.7976 117.1787 55.3692 29.9307 177.3573 61 A 4.0431 8.0013 123.4743 55.1907 18.1382 180.5389 62 A 3.9728 7.9144 117.9268 54.9077 18.6499 179.3390 63 K 3.9354 7.9820 116.7621 60.0731 32.7309 178.1669 64 Y 4.2854 8.5504 116.3782 60.0382 38.1066 177.4812 65 A 4.1507 8.4590 122.6161 55.1301 18.2397 177.6621 66 P 4.4137 0.0000 0.0000 64.3830 31.5250 177.7971 67 K 4.2237 8.3663 116.7434 56.0128 32.7129 176.0166 68 Y 4.6245 7.0947 116.5204 55.9018 40.9821 175.6852 69 Q 4.2878 8.8801 122.0153 58.0411 29.9885 175.6615 70 N 5.1376 8.8047 118.2312 51.3109 41.7159 173.8236 71 I 4.9927 8.3220 123.1914 59.4225 41.4513 174.2863 72 V 4.7688 8.5428 126.3316 61.0875 34.4397 173.9672 73 I 4.6584 8.7703 129.2353 59.6421 39.5289 174.1601 74 D 4.9026 9.0395 128.5340 53.6130 42.2353 174.9756 75 T 4.7975 8.3918 119.5414 60.9136 71.6420 171.8772 76 Q 4.4966 8.4992 126.9344 54.8126 29.9649 174.7371 77 A 3.6707 8.2365 129.0136 52.8428 18.2916 177.3915 78 R 3.9331 8.7500 122.0970 59.4494 30.6580 177.9094 *83 D 4.6659 7.7950 116.3835 54.2768 43.2261 177.8596 84 L 4.0685 7.7789 119.6649 57.4241 41.9847 178.3875 85 E 3.9949 8.2002 119.0816 59.4037 29.1152 178.4694 86 A 4.0340 7.8675 120.1773 55.1545 18.2448 179.4541 87 L 3.9830 7.4722 115.4376 57.5657 41.9442 179.4126 88 A 4.1289 7.6278 119.4758 55.3220 18.3058 179.2379 89 D 4.4891 8.0676 114.9493 56.9475 41.2652 177.7266 90 G 4.0014 7.4263 103.2971 44.4533 0.0000 172.2634 91 C 4.8072 7.6770 114.5975 56.8691 32.9796 173.6330 92 D 4.6255 8.9460 120.0363 56.5175 41.2521 177.5373 93 L 4.7325 7.6377 120.1081 53.3607 45.8963 174.7774 94 L 4.7041 9.2881 129.7780 54.3600 43.2754 175.2076 95 V 4.8383 9.0957 128.0612 61.7752 33.4677 174.5892 96 I 5.1839 9.0316 129.0947 58.0623 39.0558 173.2334 97 P 5.0566 0.0000 0.0000 62.7899 32.5038 175.7518 98 S 4.8388 9.2645 116.3502 57.1017 66.2140 173.3206 99 T 5.0917 8.3482 115.7801 59.3169 70.0189 173.2210 100 P 4.3871 0.0000 0.0000 64.8182 31.7997 177.7584 101 D 4.5491 7.8975 118.3669 52.7929 41.4417 176.7321 102 A 3.9891 8.6458 123.3971 55.3870 18.4469 180.2331 103 L 3.9000 7.8426 117.4050 59.0656 40.4552 179.3530 104 A 4.0328 8.4388 121.1931 54.6946 18.7465 179.3511 105 L 4.1169 8.3169 117.8663 57.8706 41.3848 179.5723 106 D 4.2938 8.1205 118.1900 57.2887 40.8814 178.2367 107 A 4.1207 7.6758 119.6638 54.7595 18.0115 178.2355 108 L 3.9177 7.4913 117.9067 55.8223 42.2254 178.3768 *110 L 4.2084 7.8462 118.8794 54.5118 43.5899 178.5662 111 T 3.8678 7.2303 109.9182 63.2663 67.1000 175.9234 112 I 3.5609 7.5955 120.1910 64.9373 37.8524 176.8809 113 E 3.9819 8.1269 119.3932 59.3845 29.1537 179.2483 114 T 3.8459 7.6766 114.3278 66.6078 68.6983 176.2492 115 L 3.9092 7.6968 119.0923 58.0003 41.6265 179.0511 116 Q 4.1964 8.3094 118.0881 58.7171 29.1578 179.4055 117 K 4.3672 7.8696 119.8629 56.1820 31.2821 177.5732 118 L 4.5095 8.5017 119.1520 56.7989 45.5327 174.5159 119 G 3.7222 7.4547 102.0768 43.6102 0.0000 172.9864 120 N 4.3694 8.7502 123.8037 56.1843 38.7188 177.3860 121 N 4.8518 7.8332 113.2549 53.2864 39.4963 175.9231 122 R 4.6304 7.9611 118.6980 56.9929 32.6199 175.8341 123 F 5.6305 7.3129 111.3385 55.6566 41.6795 173.5770 124 R 4.0725 8.4112 113.3838 55.8049 33.3085 173.2491 125 I 4.9066 8.2745 127.7026 60.2907 39.2344 174.2985 126 L 5.0927 8.9087 129.3365 53.2115 44.2060 175.2268 127 L 4.8625 8.6244 127.3808 54.8659 42.8802 176.2962 128 T 4.8394 9.0212 113.5804 59.2077 72.7689 173.4292 129 I 3.3870 8.2902 118.6260 62.0246 34.9901 174.7992 130 I 3.7587 7.6520 120.7901 60.5024 37.3532 174.4957 131 P 4.3650 0.0000 0.0000 61.9805 31.5975 174.4385 132 P 4.4491 0.0000 0.0000 62.4370 31.7800 175.5453 133 Y 4.3199 8.9066 119.0981 60.3837 38.3424 176.3918 134 P 3.3848 0.0000 0.0000 64.1353 31.3798 175.4808 135 S 4.6586 8.8750 113.8256 56.6565 64.9713 173.3704 136 K 4.6113 8.2421 124.2880 56.2928 32.9374 178.0260 137 D 4.4528 8.0930 122.9553 58.0113 40.5872 177.8875 138 G 3.7651 8.3676 103.9368 49.3356 0.0000 174.8680 139 D 4.4386 7.9677 119.6522 56.5756 41.2124 178.9347 140 E 3.9506 8.1091 118.7306 59.2177 29.4249 178.9041 141 A 3.9412 8.1357 120.9065 55.2625 18.4647 179.4051 142 R 3.7409 8.0236 116.3623 59.9515 30.2291 178.4217 143 Q 3.9791 8.3925 117.6150 58.7698 28.7638 178.5149 144 L 3.9207 7.9116 121.2971 58.5779 41.6316 179.2859 145 L 4.1133 7.9350 118.3080 57.6361 40.7105 179.6603 146 T 3.8967 8.0770 116.1090 67.0411 68.3106 176.8118 147 T 4.4309 8.3212 116.5704 66.8652 68.6334 175.3541 148 A 4.2817 7.9553 119.3206 51.4047 19.2860 177.0729 149 G 3.8295 9.5180 105.6754 46.5857 0.0000 174.4946 150 L 4.8455 7.6315 118.4162 52.2339 45.1936 174.8638 151 P 4.4555 0.0000 0.0000 62.8060 32.6712 175.2333 152 L 5.1778 7.9457 120.5225 52.8750 46.0836 175.9193 153 F 4.3376 8.7514 120.3260 57.6108 38.9353 176.3231 154 K 4.3858 8.3838 123.5182 59.2300 31.9212 176.8672 155 R 4.5581 7.8194 115.4397 54.5649 32.2130 175.1054 156 G 4.2022 8.1551 105.4601 44.5255 0.0000 172.5183 157 I 4.2441 8.4810 121.4818 59.5512 38.0581 176.2583 158 K 4.4122 9.0154 127.2722 55.6113 33.1174 177.2906 159 R 4.0429 8.6376 123.8304 56.8210 30.4977 175.6382 160 Y 5.0276 8.7312 123.3279 55.4053 42.0580 176.5154 161 S 4.6199 9.3887 120.2310 61.2530 62.7228 177.1002 162 A 4.0393 8.1774 122.8401 55.2783 18.1178 179.5130 163 F 4.5526 8.4197 116.0542 60.5127 38.8203 178.1210 164 Q 3.9443 8.2218 117.5213 59.0830 28.6997 178.5960 165 K 3.8817 8.1555 119.0406 59.2504 31.7621 179.0671 166 A 4.1070 7.7753 120.7996 54.5073 18.5896 179.4325 167 S 2.0000 7.3229 111.2277 60.8015 62.1697 176.0929 168 L 3.8104 7.4414 120.4427 57.8263 41.6816 178.7471 169 N 4.6857 8.3545 113.9598 52.4229 38.2934 176.2274 170 G 4.0622 7.7847 109.0837 45.4214 0.0000 173.7048 171 V 4.6843 7.5736 111.8115 57.8214 34.7418 175.8074 172 V 4.0791 7.8696 119.8754 61.0775 32.3159 177.7569 173 V 3.7286 8.7029 121.1190 64.5755 31.6243 178.2572 174 S 3.9099 7.9003 114.3547 61.1796 62.2732 174.9434 175 E 4.2687 7.8205 117.5849 56.1199 29.6108 176.4886 176 V 4.1617 7.5053 119.4323 60.4027 32.9902 176.8659 177 S 4.4234 8.1990 117.0308 56.9010 60.8892 172.0128 178 D 4.7201 7.6286 122.5357 52.0732 44.2191 176.1879 179 S 4.2559 8.6669 119.6745 60.3257 63.3630 174.8412 180 K 4.0587 8.0635 119.4497 56.2133 32.4512 177.9832 181 A 4.0453 7.7082 122.4293 55.6408 18.1775 180.1435 182 G 3.6019 7.9069 102.8151 47.8007 0.0000 175.5086 183 I 3.6248 7.5199 120.4157 63.5752 37.6409 177.4839 184 A 3.8569 8.2230 122.5173 54.9920 18.0751 179.3358 185 W 4.8613 8.6039 127.4056 60.9204 30.6767 178.3004 186 S 4.0216 8.3455 114.1461 61.3465 62.1545 176.2946 187 D 4.2210 7.9201 122.4162 57.4379 40.0296 178.3335 188 Y 3.8757 7.4836 115.9521 60.5985 37.9761 177.6954 189 K 3.4084 7.7917 120.6557 59.5054 32.2168 178.5496 190 A 3.8652 7.9149 120.8376 55.4458 18.2630 179.7533 191 T 3.6381 7.4011 114.4303 66.3505 68.2994 177.0455 192 G 2.2742 7.6193 108.0924 47.1002 0.0000 175.6413 193 K 4.0353 7.2181 123.5291 58.7202 32.4146 178.6060 194 E 4.0133 7.9936 119.1935 59.0927 29.4160 178.8428 195 I 3.8653 7.7979 120.1306 64.4506 37.1381 178.6065 196 V 3.7040 8.0875 119.2473 65.4147 31.1546 176.6750 197 E 4.8428 8.3458 116.9849 56.6263 30.6644 176.6466 198 E 4.4674 7.5763 119.6844 57.3903 31.8070 176.8154 199 I 4.1398 8.0555 118.0317 62.6471 37.7840 176.8801 200 L 4.2573 7.5594 118.9258 56.4673 42.0841 176.6601 201 T 4.0080 7.8691 117.0098 62.2418 67.2497 173.4891 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 2 I 7.87 4.60 1.89 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 1.42 0.62 0.95 0.00 0.00 3 I 8.63 4.83 1.89 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 1.21 1.42 0.94 0.00 0.00 4 T 8.60 4.91 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 1.26 0.00 0.00 5 V 8.77 4.79 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 0.97 0.00 0.00 0.89 0.00 0.00 6 A 9.02 5.69 1.06 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 0.00 0.00 7 S 8.26 4.56 0.00 3.79 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 8 F 8.50 4.72 0.00 3.16 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 9 K 7.46 4.46 0.00 1.74 1.68 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.43 7.81 10 G 8.56 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 11 G 8.85 3.95 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 0.00 12 V 7.67 3.67 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 0.83 0.00 0.00 1.05 0.00 0.00 13 G 8.33 3.94 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 0.00 0.00 0.00 14 K 8.18 3.84 0.00 1.81 1.86 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.55 7.81 15 T 7.91 3.85 4.37 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 1.39 0.00 0.00 16 T 8.06 3.99 4.43 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 1.44 0.00 0.00 17 T 8.34 3.57 4.52 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 1.34 0.00 0.00 18 A 7.87 3.77 1.30 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 0.00 0.00 19 V 7.83 3.30 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 0.22 0.00 0.00 0.28 0.00 0.00 20 H 7.87 4.29 0.00 2.00 3.29 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.41 4.06 0.00 1.81 1.61 0.87 -0.01 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 22 S 7.82 3.91 0.00 2.72 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 23 A 7.85 4.29 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 24 Y 8.30 4.34 0.00 3.37 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 25 L 8.43 3.99 0.00 1.76 1.77 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.99 4.40 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 0.00 0.00 27 L 7.90 3.76 0.00 1.63 1.67 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.77 4.54 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 29 G 7.04 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 0.00 0.00 0.00 30 E 8.51 4.57 0.00 1.96 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 2.46 2.35 0.00 31 T 8.75 5.13 4.25 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 1.05 0.00 0.00 32 L 9.28 4.26 0.00 1.33 1.21 0.86 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.68 4.86 0.00 1.48 1.61 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.23 4.44 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.40 0.89 0.00 0.00 35 D 9.05 4.93 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.76 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 37 D 8.06 4.88 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 38 P 0.00 4.28 0.00 2.10 2.12 0.00 3.99 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 39 N 8.15 4.53 0.00 2.78 2.95 0.00 0.00 7.21 7.63 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 40 R 8.91 4.53 0.00 1.92 2.00 0.00 3.47 0.00 0.00 3.54 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 41 S 8.79 4.16 0.00 4.16 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 42 A 8.21 4.12 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 43 T 8.26 4.02 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 1.21 0.00 0.00 44 G 8.12 3.65 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 0.00 0.00 0.00 45 W 8.43 4.28 0.00 3.67 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 46 G 7.89 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 0.00 0.00 0.00 47 K 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.90 0.00 0.00 56 V 8.55 4.44 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 -0.12 0.00 0.00 0.77 0.00 0.00 57 D 8.93 4.87 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.97 3.75 0.00 2.17 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 2.32 2.32 0.00 59 R 8.48 4.27 0.00 1.97 1.99 0.00 3.21 0.00 0.00 3.38 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 60 Q 8.80 4.72 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 61 A 8.00 4.04 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 62 A 7.91 3.97 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 63 K 7.98 3.94 0.00 1.74 1.88 0.00 1.72 0.00 0.00 1.46 0.00 0.00 2.93 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.81 1.33 7.81 64 Y 8.55 4.29 0.00 3.16 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 65 A 8.46 4.15 1.43 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 0.00 0.00 66 P 0.00 4.41 0.00 2.04 2.13 0.00 3.85 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 2.03 2.19 0.00 67 K 8.37 4.22 0.00 1.77 1.58 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.48 7.81 68 Y 7.09 4.62 0.00 3.10 3.14 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 0.00 0.00 0.00 0.00 69 Q 8.88 4.29 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 70 N 8.80 5.14 0.00 2.66 2.74 0.00 0.00 6.61 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 71 I 8.32 4.99 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 0.89 0.00 0.00 72 V 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0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 119 G 7.45 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.75 4.37 0.00 2.64 2.81 0.00 0.00 6.94 8.00 0.00 0.00 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 N 7.83 4.85 0.00 2.62 2.73 0.00 0.00 6.81 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 0.00 122 R 7.96 4.63 0.00 2.05 2.07 0.00 3.29 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 123 F 7.31 5.63 0.00 3.18 2.99 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 0.00 124 R 8.41 4.07 0.00 1.44 1.42 0.00 2.21 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.55 0.00 125 I 8.27 4.91 1.97 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.12 1.03 0.00 0.00 126 L 8.91 5.09 0.00 1.80 1.57 0.54 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.62 4.86 0.00 1.66 1.58 0.97 0.62 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 0.00 128 T 9.02 4.84 4.20 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 1.19 0.00 0.00 129 I 8.29 3.39 1.86 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 1.37 0.41 0.91 0.00 0.00 130 I 7.65 3.76 1.81 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 1.47 0.98 0.89 0.00 0.00 131 P 0.00 4.37 0.00 2.00 1.97 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.06 0.00 132 P 0.00 4.45 0.00 2.21 2.07 0.00 3.75 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 133 Y 8.91 4.32 0.00 2.96 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 0.00 134 P 0.00 3.38 0.00 2.08 2.08 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 135 S 8.87 4.66 0.00 3.74 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 0.00 136 K 8.24 4.61 0.00 1.79 1.72 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.33 7.81 137 D 8.09 4.45 0.00 2.62 2.70 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 0.00 138 G 8.37 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 0.00 0.00 0.00 139 D 7.97 4.44 0.00 2.71 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 0.00 140 E 8.11 3.95 0.00 1.97 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 2.32 2.39 0.00 141 A 8.14 3.94 1.43 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 0.00 0.00 142 R 8.02 3.74 0.00 1.92 2.09 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 143 Q 8.39 3.98 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 144 L 7.91 3.92 0.00 1.87 1.86 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.93 4.11 0.00 1.78 1.73 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.08 3.90 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 1.20 0.00 0.00 147 T 8.32 4.43 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 148 A 7.96 4.28 1.34 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 0.00 0.00 0.00 149 G 9.52 3.83 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 0.00 0.00 0.00 150 L 7.63 4.85 0.00 1.77 1.62 1.03 0.97 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 0.00 151 P 0.00 4.46 0.00 1.74 1.86 0.00 3.57 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 1.10 1.38 0.00 152 L 7.95 5.18 0.00 1.42 1.54 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.75 4.34 0.00 2.99 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 0.00 154 K 8.38 4.39 0.00 1.94 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 155 R 7.82 4.56 0.00 1.71 1.78 0.00 3.29 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 156 G 8.16 4.20 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 0.00 0.00 0.00 157 I 8.48 4.24 1.63 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 -0.36 0.61 0.00 0.00 158 K 9.02 4.41 0.00 1.64 1.32 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.60 7.81 159 R 8.64 4.04 0.00 1.77 1.86 0.00 3.21 0.00 0.00 3.22 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 160 Y 8.73 5.03 0.00 3.07 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 0.00 161 S 9.39 4.62 0.00 3.95 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 0.00 162 A 8.18 4.04 1.17 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 0.00 163 F 8.42 4.55 0.00 3.52 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 0.00 164 Q 8.22 3.94 0.00 2.40 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 165 K 8.16 3.88 0.00 1.96 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.57 7.81 166 A 7.78 4.11 1.69 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 0.00 0.00 167 S 7.32 2.00 0.00 3.44 3.41 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 0.00 168 L 7.44 3.81 0.00 1.71 1.65 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 169 N 8.35 4.69 0.00 2.77 2.81 0.00 0.00 6.99 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 0.00 170 G 7.78 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 0.00 0.00 0.00 171 V 7.57 4.68 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 0.83 0.00 0.00 0.98 0.00 0.00 172 V 7.87 4.08 1.90 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 0.57 0.00 0.00 0.48 0.00 0.00 173 V 8.70 3.73 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 0.91 0.00 0.00 0.69 0.00 0.00 174 S 7.90 3.91 0.00 3.55 2.98 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 0.00 175 E 7.82 4.27 0.00 2.08 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 2.18 2.31 0.00 176 V 7.51 4.16 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 0.73 0.00 0.00 0.92 0.00 0.00 177 S 8.20 4.42 0.00 3.84 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 0.00 178 D 7.63 4.72 0.00 2.72 2.37 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 0.00 179 S 8.67 4.26 0.00 4.00 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 0.00 180 K 8.06 4.06 0.00 1.43 1.14 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.56 1.67 7.81 181 A 7.71 4.05 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 0.00 182 G 7.91 3.60 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 0.00 183 I 7.52 3.62 1.75 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.41 0.00 0.00 184 A 8.22 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 W 8.60 4.86 0.00 3.27 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 0.00 186 S 8.35 4.02 0.00 4.05 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 0.00 187 D 7.92 4.22 0.00 2.88 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 0.00 188 Y 7.48 3.88 0.00 3.34 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 0.00 189 K 7.79 3.41 0.00 1.20 1.58 0.00 1.35 0.00 0.00 1.51 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 0.85 7.81 190 A 7.91 3.87 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 0.00 191 T 7.40 3.64 4.08 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 0.27 0.00 0.00 192 G 7.62 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 0.00 0.00 0.00 193 K 7.22 4.04 0.00 2.02 1.81 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.40 7.81 194 E 7.99 4.01 0.00 2.16 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 2.43 2.40 0.00 195 I 7.80 3.87 1.99 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 1.67 0.83 0.97 0.00 0.00 196 V 8.09 3.70 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 1.11 0.00 0.00 1.15 0.00 0.00 197 E 8.35 4.84 0.00 1.96 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 2.33 2.49 0.00 198 E 7.58 4.47 0.00 2.40 2.06 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 2.12 2.29 0.00 199 I 8.06 4.14 2.15 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.99 0.94 0.00 0.00 200 L 7.56 4.26 0.00 1.71 1.73 0.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 201 T 7.87 4.01 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 1.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.