NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5721 8.2649 122.4703 52.1875 20.1759 175.7363 2 T 4.5329 8.6646 117.2596 61.4508 71.2603 172.2470 3 K 5.2980 8.8536 124.7749 55.1089 37.4082 174.5174 4 A 5.1941 8.9867 123.4322 51.5839 23.5945 175.1638 5 V 4.9809 8.5261 116.0236 60.9957 35.3081 172.8481 6 A 5.0461 8.9817 124.1438 50.3979 22.2460 175.0437 7 V 4.4614 8.4502 123.2065 61.9935 33.3673 174.5251 8 L 4.7699 8.9761 129.1405 53.6820 43.3310 176.0547 9 K 4.8406 9.0850 121.9935 55.5833 37.1636 176.2375 10 G 4.5952 7.9716 108.5561 45.8241 0.0000 172.2235 11 D 4.5561 8.7645 117.9056 55.1353 41.6015 176.4975 12 G 4.3560 7.5410 108.9282 43.5977 0.0000 171.4060 13 P 4.4317 0.0000 0.0000 63.3045 31.9724 175.5288 14 V 4.0365 7.5576 120.7355 63.1547 31.8399 174.9608 15 Q 4.8051 8.5471 125.0583 55.2840 32.5881 173.9726 16 G 4.1595 8.1046 106.4163 46.3824 0.0000 171.7322 17 I 5.1453 8.0131 119.5047 59.4976 41.2647 175.0393 18 I 4.5644 8.5779 127.1569 59.5427 40.2470 174.3524 19 N 4.8482 8.6045 125.4485 51.7474 40.5266 174.2736 20 F 5.4180 8.9605 120.6563 55.7774 42.8827 173.8747 21 E 5.2092 9.7886 123.3493 54.7600 33.5711 173.7332 22 Q 4.7679 9.2926 127.4759 54.3888 31.2184 175.8810 23 K 4.0437 9.0335 127.1859 58.5305 32.7113 177.6888 24 E 4.8004 7.8225 117.4011 53.9793 32.2460 177.1760 25 S 4.2272 8.8479 117.4037 60.6598 63.1841 174.7167 26 N 4.8053 8.2251 116.4778 52.2551 37.2327 174.2453 27 G 4.0861 7.9282 109.0102 43.2930 0.0000 171.7884 28 P 4.6763 0.0000 0.0000 62.7057 32.5544 175.8140 29 V 4.5463 8.9262 121.4533 61.3769 33.5513 174.4751 30 K 4.7852 9.6357 130.4182 55.8001 33.6868 175.2532 31 V 4.8764 9.1603 128.3798 60.8727 33.8255 174.2787 32 W 5.4789 8.4737 123.9186 55.0262 31.9635 175.3490 33 G 3.9258 7.5639 106.1557 45.9060 0.0000 171.0848 34 S 5.1119 7.7921 113.8312 56.8724 66.8853 173.2739 35 I 5.0376 8.8661 123.3179 59.3891 40.8448 174.6745 36 K 4.7841 8.9930 124.9320 55.5787 36.2421 176.8980 37 G 3.8802 8.7309 105.2164 46.6027 0.0000 173.5068 38 L 4.4186 7.5402 119.8449 53.1946 42.9041 176.6809 39 T 4.1635 8.1192 111.1645 61.1028 69.5259 173.9836 40 E 4.0668 8.5130 124.4191 57.0712 30.7012 175.2428 41 G 3.8426 8.1064 110.7188 44.0979 0.0000 172.3214 42 L 4.7745 8.2596 120.1781 54.7606 43.0257 176.5036 43 H 4.9693 9.2311 119.5745 53.7036 32.8116 173.0522 44 G 4.2490 9.2418 110.8529 47.0722 0.0000 172.2408 45 F 5.5588 8.9102 124.4156 56.9194 42.5131 172.9674 46 H 5.2554 9.0331 123.0670 54.0099 33.5773 173.0245 47 V 4.3230 8.5209 123.1004 63.0050 32.4932 175.0126 48 H 5.2472 9.5056 125.4547 54.2056 31.0566 175.7207 49 E 3.6770 8.7998 121.5290 58.5356 29.9608 176.9914 50 F 4.9376 8.2271 118.0205 54.9128 41.8161 176.6779 51 G 4.4816 8.5004 110.7845 44.8279 0.0000 173.6836 52 D 4.6792 8.1119 119.7848 52.6141 41.9947 174.6415 53 N 5.2273 8.7350 123.8734 52.6365 39.3980 176.2764 54 T 3.8303 8.4356 108.6300 64.3026 68.7639 174.7231 55 A 4.6870 7.7760 124.5392 51.4683 20.3437 178.2029 56 G 3.7793 8.1456 108.8490 48.0268 0.0000 176.5295 57 A 4.0813 8.4315 120.6896 54.7003 17.9246 179.6512 58 T 3.8662 7.8618 114.8295 66.6162 68.4091 176.2205 59 S 4.3373 8.0031 113.3300 60.0408 63.6778 175.5576 60 A 4.5590 7.1099 126.5652 54.5504 18.1819 178.3556 61 G 4.2909 8.0216 104.3677 44.4100 0.0000 170.9848 62 P 4.7379 0.0000 0.0000 61.8350 33.6289 175.1358 63 H 4.2080 8.7150 116.3412 56.3577 29.4917 175.2785 64 F 4.3991 9.1765 125.4630 58.3832 40.2217 174.7314 65 N 4.7878 8.0143 123.9102 51.9491 39.9371 172.5575 66 P 4.2780 0.0000 0.0000 62.1389 33.0910 175.4807 67 L 4.0791 8.2151 121.6691 55.8745 39.7201 175.1963 *80 H 4.7394 7.8414 113.3578 55.8263 30.7678 175.9725 81 V 3.5675 7.8725 117.7659 65.9945 31.5286 177.0602 82 G 3.7831 8.0792 105.9689 48.1566 0.0000 172.8599 83 D 4.6380 8.4081 120.5769 54.3744 41.1314 175.4471 84 L 4.6285 8.2384 126.6284 53.4063 42.6942 178.8567 85 G 3.8961 9.1613 111.1813 46.9740 0.0000 174.7799 86 N 5.6996 8.6929 122.1483 51.3287 42.4927 172.8715 87 V 4.4040 8.7436 112.6226 59.8771 35.6679 175.3286 88 T 4.9600 8.2261 118.4740 61.8853 71.3406 173.0846 89 A 4.6790 8.9388 129.5924 51.0422 21.0914 177.2705 90 D 5.0085 8.7109 121.4172 51.9859 42.0243 176.7837 91 K 3.8983 8.7021 117.0439 60.5838 32.3331 177.1689 92 D 4.5347 8.2021 116.1070 54.0273 41.1402 176.9544 93 G 4.0194 8.2896 107.9680 44.3238 0.0000 172.6985 94 V 4.6857 8.3985 120.3935 60.9481 33.6205 174.4693 95 A 5.2936 9.0735 129.7731 49.4395 21.1456 174.7605 96 D 4.9145 8.6488 122.7382 54.1939 42.0561 176.4187 97 V 4.1145 8.8982 124.6525 61.6346 33.5247 175.0241 98 S 4.6339 8.5299 122.3283 57.3977 64.1642 172.6038 99 I 4.8433 9.4641 127.9150 59.2888 41.4113 174.2872 100 E 5.2035 8.7840 124.6462 54.6022 32.4727 174.2034 101 D 5.0174 9.2833 125.5581 52.7957 44.8007 175.8557 102 S 4.7202 8.9242 118.5934 58.4530 64.3361 175.1046 103 V 3.9448 8.0191 120.3356 64.7105 31.9568 176.4663 104 I 4.1285 8.1069 111.9491 60.7777 38.4266 174.9494 105 S 4.6847 8.1359 114.3802 56.9108 65.3357 174.3863 106 L 4.3280 9.3327 125.0499 55.2914 41.7724 176.3082 107 S 4.5396 7.5906 112.6658 56.8896 66.4998 173.6337 108 G 3.9420 8.5046 106.4257 44.7510 0.0000 174.0119 109 D 4.4015 8.3545 117.2294 56.7408 40.7885 177.3927 110 H 5.0886 7.9476 114.3089 55.1769 29.2817 174.0840 111 A 4.2830 7.6240 122.5148 52.9394 18.7608 178.7212 112 I 3.7838 8.2861 113.0784 60.9485 38.3234 176.1539 113 I 3.8367 7.2452 123.1833 62.8733 37.4822 176.3257 114 G 3.8122 9.3271 113.2940 45.4886 0.0000 172.8597 115 R 4.9952 7.3673 118.9598 54.6219 33.8166 174.4799 116 T 4.9315 7.9854 115.2544 62.0390 71.6336 173.4507 117 L 4.8437 8.9200 129.0904 54.0060 43.7839 175.2804 118 V 4.9882 9.1574 126.5917 60.9676 34.8760 174.2136 119 V 5.1482 8.5491 126.7357 60.5435 33.5674 174.8618 120 H 5.2019 9.0659 122.0769 54.1730 30.6081 174.9818 121 E 4.1837 9.4326 121.7725 59.1688 30.0205 176.8891 122 K 4.7052 7.9832 116.8821 54.0043 35.7398 175.4855 123 A 4.4800 8.3759 124.1553 52.1688 18.8179 177.5101 124 D 4.6033 8.4796 121.9351 52.8609 39.7205 175.6280 *142 S 4.3644 8.2010 119.6056 58.3916 65.2976 172.0329 143 R 4.6838 8.3673 118.4105 54.9063 31.1523 176.2765 144 L 4.2948 8.9559 125.3909 57.3436 42.8903 177.2384 145 A 4.9919 7.7708 117.8287 50.6737 22.9857 174.7887 146 A 5.1385 9.0596 120.3249 50.8839 23.5327 175.5939 147 G 4.5203 8.5595 104.7999 45.5813 0.0000 172.8244 148 V 4.3037 8.3565 124.7787 62.4682 32.7229 175.4598 149 I 4.0914 9.1644 129.8071 61.1512 37.8781 175.2526 150 G 4.4325 9.0512 114.9280 43.7755 0.0000 171.8912 151 I 4.3064 8.3717 122.0725 61.2959 37.4924 175.4874 152 A 4.8052 8.3863 128.4642 49.7757 21.9216 176.2850 153 Q 4.0698 8.4968 118.9322 56.4176 29.2249 175.9544 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 A 8.26 4.57 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 2 T 8.66 4.53 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 3 K 8.85 5.30 0.00 1.87 1.72 0.00 1.77 0.00 0.00 2.09 0.00 0.00 2.97 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.54 1.49 7.81 4 A 8.99 5.19 1.16 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 0.00 0.00 5 V 8.53 4.98 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 0.76 0.00 0.00 0.93 0.00 0.00 6 A 8.98 5.05 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 7 V 8.45 4.46 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 0.97 0.00 0.00 0.92 0.00 0.00 8 L 8.98 4.77 0.00 1.70 1.59 1.02 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.09 4.84 0.00 1.65 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.39 7.81 10 G 7.97 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 11 D 8.76 4.56 0.00 2.68 2.72 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 12 G 7.54 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 13 P 0.00 4.43 0.00 2.22 2.29 0.00 3.69 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 2.23 1.94 0.00 14 V 7.56 4.04 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 0.79 0.00 0.00 0.93 0.00 0.00 15 Q 8.55 4.81 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.42 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 16 G 8.10 4.16 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 0.00 0.00 0.00 17 I 8.01 5.15 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 1.20 1.49 0.82 0.00 0.00 18 I 8.58 4.56 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.24 0.51 0.00 0.00 19 N 8.60 4.85 0.00 1.44 1.49 0.00 0.00 6.33 7.94 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 20 F 8.96 5.42 0.00 2.88 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 21 E 9.79 5.21 0.00 2.51 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 2.31 2.40 0.00 22 Q 9.29 4.77 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 23 K 9.03 4.04 0.00 1.80 1.87 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.41 7.81 24 E 7.82 4.80 0.00 1.96 1.81 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 2.29 2.20 0.00 25 S 8.85 4.23 0.00 3.99 4.02 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 26 N 8.23 4.81 0.00 2.84 2.93 0.00 0.00 5.87 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 27 G 7.93 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.68 0.00 2.13 2.09 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 29 V 8.93 4.55 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 1.24 0.00 0.00 1.08 0.00 0.00 30 K 9.64 4.79 0.00 1.88 1.82 0.00 1.29 0.00 0.00 0.78 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.51 1.34 7.81 31 V 9.16 4.88 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 0.66 0.00 0.00 1.05 0.00 0.00 32 W 8.47 5.48 0.00 3.51 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 33 G 7.56 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.79 5.11 0.00 3.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.87 5.04 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.69 0.92 0.00 0.00 36 K 8.99 4.78 0.00 1.75 1.88 0.00 1.35 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.34 7.81 37 G 8.73 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 38 L 7.54 4.42 0.00 1.83 1.44 0.83 0.39 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 39 T 8.12 4.16 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 40 E 8.51 4.07 0.00 1.96 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 2.29 2.37 0.00 41 G 8.11 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 42 L 8.26 4.77 0.00 1.51 1.58 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.23 4.97 0.00 3.01 3.35 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 44 G 9.24 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 0.00 0.00 0.00 0.00 45 F 8.91 5.56 0.00 3.01 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 46 H 9.03 5.26 0.00 3.25 2.96 0.00 5.86 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.52 4.32 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 0.88 0.00 0.00 48 H 9.51 5.25 0.00 3.06 3.45 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.80 3.68 0.00 1.80 1.16 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 1.47 2.13 0.00 50 F 8.23 4.94 0.00 3.13 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 G 8.50 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.11 4.68 0.00 2.64 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 N 8.73 5.23 0.00 2.77 2.73 0.00 0.00 7.43 7.22 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 54 T 8.44 3.83 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 55 A 7.78 4.69 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 56 G 8.15 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.43 4.08 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 58 T 7.86 3.87 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 1.22 0.00 0.00 59 S 8.00 4.34 0.00 4.11 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 60 A 7.11 4.56 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 61 G 8.02 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 62 P 0.00 4.74 0.00 2.13 2.24 0.00 3.79 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 63 H 8.71 4.21 0.00 2.93 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.18 4.40 0.00 2.97 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 65 N 8.01 4.79 0.00 2.53 2.53 0.00 0.00 7.21 7.69 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 66 P 0.00 4.28 0.00 1.77 1.87 0.00 3.16 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 1.48 1.23 0.00 67 L 8.22 4.08 0.00 1.73 1.93 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 *80 H 7.84 4.74 0.00 3.17 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.87 3.57 1.80 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 0.76 0.00 0.00 0.72 0.00 0.00 82 G 8.08 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.41 4.64 0.00 2.71 2.76 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 84 L 8.24 4.63 0.00 1.76 1.81 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.16 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 0.00 0.00 0.00 86 N 8.69 5.70 0.00 2.57 2.79 0.00 0.00 6.54 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 87 V 8.74 4.40 1.78 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 -0.34 0.00 0.00 0.77 0.00 0.00 88 T 8.23 4.96 4.21 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 1.20 0.00 0.00 89 A 8.94 4.68 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.71 5.01 0.00 2.87 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 91 K 8.70 3.90 0.00 1.88 2.00 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.47 7.81 92 D 8.20 4.53 0.00 2.78 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 93 G 8.29 4.02 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 0.00 0.00 0.00 94 V 8.40 4.69 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 0.92 0.00 0.00 0.97 0.00 0.00 95 A 9.07 5.29 1.15 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 0.00 0.00 96 D 8.65 4.91 0.00 2.56 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 97 V 8.90 4.11 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 0.85 0.00 0.00 0.58 0.00 0.00 98 S 8.53 4.63 0.00 3.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 9.46 4.84 1.99 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 1.02 0.00 0.00 100 E 8.78 5.20 0.00 1.95 1.80 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 2.21 2.31 0.00 101 D 9.28 5.02 0.00 2.87 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 0.00 102 S 8.92 4.72 0.00 3.89 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 0.00 103 V 8.02 3.94 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 0.81 0.00 0.00 0.93 0.00 0.00 104 I 8.11 4.13 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.80 1.03 0.00 0.00 105 S 8.14 4.68 0.00 3.85 3.79 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 0.00 106 L 9.33 4.33 0.00 1.72 1.67 1.06 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 0.00 107 S 7.59 4.54 0.00 3.88 3.80 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 0.00 108 G 8.50 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 0.00 109 D 8.35 4.40 0.00 2.48 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 0.00 110 H 7.95 5.09 0.00 3.19 3.42 0.00 5.74 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 0.00 111 A 7.62 4.28 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 0.00 112 I 8.29 3.78 1.61 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.20 0.90 0.00 0.00 113 I 7.25 3.84 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.84 0.00 0.00 114 G 9.33 3.81 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 0.00 0.00 0.00 115 R 7.37 5.00 0.00 1.59 1.79 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.24 0.00 116 T 7.99 4.93 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 1.24 0.00 0.00 117 L 8.92 4.84 0.00 1.78 1.57 0.39 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 118 V 9.16 4.99 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 0.71 0.00 0.00 0.73 0.00 0.00 119 V 8.55 5.15 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 0.84 0.00 0.00 1.04 0.00 0.00 120 H 9.07 5.20 0.00 3.15 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.43 4.18 0.00 2.09 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 2.37 2.34 0.00 122 K 7.98 4.71 0.00 1.77 1.71 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.45 7.81 123 A 8.38 4.48 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.48 4.60 0.00 2.82 2.85 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 *142 S 8.20 4.36 0.00 3.97 4.15 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 0.00 143 R 8.37 4.68 0.00 1.63 1.78 0.00 3.25 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.60 0.00 144 L 8.96 4.29 0.00 1.70 1.69 0.93 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.77 4.99 1.16 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 0.00 0.00 146 A 9.06 5.14 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 0.00 147 G 8.56 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 0.00 0.00 0.00 0.00 148 V 8.36 4.30 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 0.81 0.00 0.00 0.95 0.00 0.00 149 I 9.16 4.09 1.79 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.37 0.41 0.00 0.00 150 G 9.05 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 0.00 0.00 0.00 0.00 151 I 8.37 4.31 1.85 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 1.25 0.54 0.91 0.00 0.00 152 A 8.39 4.81 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.50 4.07 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.