NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1544 8.1127 119.7058 57.1997 31.4282 175.0426 3 V 3.2724 8.3946 118.5747 61.7626 30.1900 171.6877 4 K 4.2414 7.5553 119.5609 58.6056 34.1054 177.0580 5 M 4.1003 7.9158 116.8838 55.7407 31.6788 175.3799 6 H 5.0450 8.1340 115.5156 54.7679 32.4707 174.1890 7 V 4.0544 8.2296 114.7465 61.3431 30.6927 179.8634 8 K 4.0445 8.8973 126.2636 57.5005 33.0789 175.8666 9 K 4.4294 8.1455 120.1563 56.2636 33.5900 179.0942 10 G 3.9378 8.6031 101.2107 44.7142 0.0000 170.2816 11 D 4.6825 7.1322 118.4848 52.6798 43.6766 175.4732 12 T 4.5119 8.4780 115.5485 63.9702 69.1004 174.4360 13 V 4.6623 9.0311 125.9664 60.8262 35.9696 173.4610 14 L 4.9360 8.7141 123.7352 53.0854 44.8523 177.3625 15 V 3.9472 8.3407 127.0391 63.9903 32.1175 175.7704 16 A 5.1537 8.6345 135.0000 52.6736 21.0675 177.9768 17 S 4.3783 8.3453 115.9411 59.7213 61.7909 174.7613 18 G 4.1912 8.8762 108.5391 45.7572 0.0000 174.3294 19 K 4.0774 8.6025 124.9869 58.2888 33.2578 177.3911 20 Y 4.3842 7.6784 114.0862 57.0776 39.1301 174.3181 21 K 3.8439 8.3712 121.8737 57.0756 31.7067 173.0988 22 G 3.7507 9.5385 121.5865 45.9299 0.0000 173.1151 23 R 4.6063 8.2848 122.6434 55.3902 32.6836 174.9286 24 V 3.5835 7.4428 116.5628 61.9615 32.8424 174.9676 25 G 4.2657 9.1893 113.0431 44.7014 0.0000 172.1437 26 K 4.6142 8.9633 122.6039 56.1540 33.5784 175.3730 27 V 4.0757 7.3215 121.6521 61.7069 34.4894 175.9972 28 K 4.3911 8.5584 122.7255 55.8891 34.6585 175.4072 29 E 3.5340 7.1076 116.8851 62.6940 25.6226 174.4711 30 V 3.0805 6.6232 115.7568 59.5167 33.9595 173.5222 31 L 3.9924 8.0322 128.9884 54.9521 41.9310 174.9978 32 P 4.9170 0.0000 0.0000 62.4405 33.1477 177.2520 33 K 4.5023 7.8917 119.6540 56.2275 31.3995 176.7568 34 K 4.4433 9.0633 116.2620 55.6348 39.3737 174.7764 35 Y 3.4334 8.0459 118.8471 58.9372 36.6902 168.1270 36 A 4.9645 7.7100 119.9710 50.3475 21.4602 176.2189 37 V 3.9112 7.7834 113.1145 58.7974 31.2504 176.6584 38 I 3.5601 8.6053 123.9299 59.0961 37.8049 178.8192 39 V 3.7476 7.9723 121.3452 62.9950 30.9331 173.4610 40 E 4.7895 8.9932 111.9754 56.8385 35.3768 176.1584 41 G 3.5923 7.4704 112.9581 44.9539 0.0000 177.1491 42 V 3.3610 7.5731 132.1471 62.7304 31.3473 175.1694 43 N 5.2282 8.1872 128.5624 51.7126 38.8592 175.1809 44 I 3.7303 7.3660 118.8657 61.7675 38.3721 175.4827 45 V 4.4725 8.0631 121.5439 61.1099 34.0801 176.1548 46 K 4.5352 8.0323 127.3043 56.1145 32.3770 177.3327 47 K 4.1704 7.6027 117.1921 60.7546 33.2103 176.8839 48 A 3.8457 6.9297 122.1678 52.1595 17.2480 177.3018 49 V 4.3878 8.4354 120.7799 63.9148 39.1505 175.0629 50 R 3.9420 7.8733 116.8956 55.8103 27.5251 175.7822 51 V 3.7292 8.3499 117.2710 65.7321 32.0408 177.2948 52 S 4.4902 7.6678 113.7663 55.8197 64.6768 173.9959 53 P 4.6131 0.0000 0.0000 61.0819 30.3085 176.9155 54 K 3.5362 8.2389 120.0205 57.0297 32.5976 175.5137 55 Y 3.3274 8.9971 115.9844 59.1140 37.4957 169.9237 56 P 4.1141 0.0000 0.0000 62.6277 33.7895 173.5462 57 Q 4.8555 8.3293 135.0000 56.9176 28.3769 174.5030 58 G 4.4485 7.8444 118.3174 44.4219 0.0000 171.1870 59 G 4.3342 8.4811 113.5977 45.0375 0.0000 171.5052 60 F 4.9457 8.6289 115.9299 57.5273 39.6780 176.0555 61 I 4.5860 7.5759 116.5963 61.9317 40.0232 177.2947 62 E 3.9854 6.9571 113.9286 52.2198 31.9144 175.2943 63 K 4.6661 8.0051 126.1575 55.8823 36.7970 175.4178 64 E 4.1279 8.7717 119.9667 57.0528 30.2962 177.7268 65 A 4.1123 10.2151 127.0692 51.2129 19.1620 178.8487 66 P 3.4760 0.0000 0.0000 64.7201 33.1357 171.3659 67 L 3.8812 7.8872 127.2263 54.0588 44.0953 173.3816 68 H 4.3812 8.8083 124.4002 56.5607 29.9700 175.6874 69 A 3.8608 9.4903 130.5261 55.1867 18.2724 179.4201 70 S 4.3040 8.6166 108.7210 60.3271 62.6013 174.5998 71 K 4.2501 7.7236 117.7691 57.3909 32.2707 176.6209 72 V 4.5934 7.0254 111.5649 60.1043 34.1597 175.3279 73 R 4.8074 8.7399 119.7312 54.2051 34.7407 173.6956 74 P 4.8401 0.0000 0.0000 62.9340 32.6058 174.9480 75 I 4.2604 7.8418 116.3098 61.7970 40.9022 173.1508 76 C 4.4804 7.9636 123.2896 58.3250 33.4967 168.6606 77 P 4.5130 0.0000 0.0000 60.1726 31.6896 175.7235 78 A 4.6442 7.3998 129.1906 51.5139 21.5627 176.8879 79 C 4.8464 8.0930 113.6574 57.8854 34.4340 178.9689 80 G 3.2177 9.9102 107.8974 45.0746 0.0000 172.1456 81 K 3.8877 9.3950 131.2514 54.7928 33.2929 172.2408 82 P 4.4857 0.0000 0.0000 62.7791 32.5238 176.3463 83 T 4.1000 8.3945 119.5927 64.2199 69.6736 172.9824 84 R 4.5975 7.9760 121.7781 55.7694 34.1579 173.3911 85 V 4.8894 8.3302 121.7925 61.0179 34.3287 174.4405 86 R 4.7836 8.5067 127.0682 54.4444 32.8023 176.7800 87 K 3.9786 8.7642 124.1949 60.0125 32.9959 178.1316 88 K 4.2041 8.0596 117.3921 54.4691 30.3064 175.9710 89 F 3.8089 8.4718 118.3861 58.5259 36.1618 174.8166 90 L 4.3470 6.8355 126.8171 55.2170 43.4970 177.3504 91 E 4.6026 7.6945 127.0572 54.8616 28.9767 175.8318 92 N 4.7880 8.5098 122.3909 54.2662 41.8823 173.6138 93 G 4.3486 8.3732 109.5845 45.3450 0.0000 171.5649 94 K 5.2281 8.5273 119.2462 55.0187 34.2976 175.9320 95 K 5.0648 9.4310 121.5552 53.3758 36.6067 176.1645 96 I 4.3773 8.9007 118.2621 59.9506 38.8753 174.9138 97 R 3.8389 8.5806 118.8918 56.4730 29.3584 177.2217 98 V 3.3263 8.2202 125.7056 62.9491 29.7359 170.9135 99 C 4.6235 7.8932 116.1643 59.2114 36.4919 176.0371 100 A 3.8104 7.5002 116.2859 52.8593 18.0124 177.6821 101 K 3.9060 8.2548 120.1488 56.8496 32.2810 176.6889 *102 C 4.3630 8.3665 116.4140 57.9831 28.5244 173.1001 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 R 8.11 4.15 0.00 1.89 1.91 0.00 3.24 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 3 V 8.39 3.27 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 0.74 0.00 0.00 0.93 0.00 0.00 4 K 7.56 4.24 0.00 1.85 1.91 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.34 7.81 5 M 7.92 4.10 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 6 H 8.13 5.05 0.00 3.07 3.48 0.00 5.73 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.23 4.05 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 0.73 0.00 0.00 0.84 0.00 0.00 8 K 8.90 4.04 0.00 1.63 1.88 0.00 1.47 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.49 7.81 9 K 8.15 4.43 0.00 1.83 1.61 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.64 7.81 10 G 8.60 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 11 D 7.13 4.68 0.00 2.74 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 12 T 8.48 4.51 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 1.26 0.00 0.00 13 V 9.03 4.66 2.05 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 0.84 0.00 0.00 0.95 0.00 0.00 14 L 8.71 4.94 0.00 1.74 1.58 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.34 3.95 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 0.93 0.00 0.00 0.94 0.00 0.00 16 A 8.63 5.15 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 17 S 8.35 4.38 0.00 4.04 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 18 G 8.88 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.60 4.08 0.00 1.97 1.72 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.51 7.81 20 Y 7.68 4.38 0.00 3.09 2.97 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 21 K 8.37 3.84 0.00 1.73 1.78 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 22 G 9.54 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.28 4.61 0.00 1.97 1.91 0.00 3.33 0.00 0.00 3.44 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 24 V 7.44 3.58 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 0.77 0.00 0.00 0.94 0.00 0.00 25 G 9.19 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 0.00 0.00 0.00 26 K 8.96 4.61 0.00 1.77 1.73 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.65 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.43 7.81 27 V 7.32 4.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 28 K 8.56 4.39 0.00 1.91 1.83 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.24 1.49 7.81 29 E 7.11 3.53 0.00 2.11 2.11 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 2.17 2.32 0.00 30 V 6.62 3.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.95 0.00 0.00 31 L 8.03 3.99 0.00 1.89 1.51 0.98 0.97 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 32 P 0.00 4.92 0.00 2.20 2.26 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 33 K 7.89 4.50 0.00 1.75 1.85 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 K 9.06 4.44 0.00 1.72 1.79 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.36 7.81 35 Y 8.05 3.43 0.00 3.12 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 36 A 7.71 4.96 1.21 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 0.00 0.00 37 V 7.78 3.91 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 0.59 0.00 0.00 1.00 0.00 0.00 38 I 8.61 3.56 2.12 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 1.14 0.98 0.93 0.00 0.00 39 V 7.97 3.75 2.01 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 1.15 0.00 0.00 0.88 0.00 0.00 40 E 8.99 4.79 0.00 1.93 1.87 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 2.15 2.18 0.00 41 G 7.47 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.57 3.36 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 1.34 0.00 0.00 0.40 0.00 0.00 43 N 8.19 5.23 0.00 2.69 2.73 0.00 0.00 7.14 7.45 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 44 I 7.37 3.73 1.84 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 0.83 0.90 0.00 0.00 45 V 8.06 4.47 2.01 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 0.67 0.00 0.00 0.93 0.00 0.00 46 K 8.03 4.54 0.00 1.64 1.50 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.29 7.81 47 K 7.60 4.17 0.00 1.67 1.81 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.31 7.81 48 A 6.93 3.85 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 49 V 8.44 4.39 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 0.76 0.00 0.00 1.10 0.00 0.00 50 R 7.87 3.94 0.00 2.01 2.01 0.00 3.31 0.00 0.00 3.17 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 51 V 8.35 3.73 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 0.80 0.00 0.00 0.92 0.00 0.00 52 S 7.67 4.49 0.00 3.88 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 53 P 0.00 4.61 0.00 2.02 2.09 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 54 K 8.24 3.54 0.00 1.33 0.82 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.16 1.25 7.81 55 Y 9.00 3.33 0.00 3.11 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 56 P 0.00 4.11 0.00 2.24 2.37 0.00 3.81 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 2.04 2.15 0.00 57 Q 8.33 4.86 0.00 2.10 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 58 G 7.84 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 0.00 0.00 0.00 0.00 59 G 8.48 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 0.00 0.00 0.00 0.00 60 F 8.63 4.95 0.00 2.92 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 61 I 7.58 4.59 1.90 0.00 0.00 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 1.45 0.53 0.93 0.00 0.00 62 E 6.96 3.99 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 63 K 8.01 4.67 0.00 1.45 1.66 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.40 7.81 64 E 8.77 4.13 0.00 1.78 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 2.27 2.53 0.00 65 A 10.22 4.11 1.20 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 66 P 0.00 3.48 0.00 2.11 2.21 0.00 3.67 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 2.06 2.09 0.00 67 L 7.89 3.88 0.00 1.99 1.59 0.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.81 4.38 0.00 3.24 3.19 0.00 5.73 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 9.49 3.86 0.60 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 70 S 8.62 4.30 0.00 4.09 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 71 K 7.72 4.25 0.00 1.90 1.85 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.38 7.81 72 V 7.03 4.59 2.05 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 0.63 0.00 0.00 0.89 0.00 0.00 73 R 8.74 4.81 0.00 1.69 1.75 0.00 3.12 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 74 P 0.00 4.84 0.00 2.06 2.05 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.95 0.00 75 I 7.84 4.26 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.25 0.91 0.00 0.00 76 C 7.96 4.48 0.00 2.94 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 77 P 0.00 4.51 0.00 2.07 2.06 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 78 A 7.40 4.64 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 79 C 8.09 4.85 0.00 3.03 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 80 G 9.91 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 0.00 0.00 0.00 81 K 9.39 3.89 0.00 2.00 1.83 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.44 7.81 82 P 0.00 4.49 0.00 2.12 1.96 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 83 T 8.39 4.10 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 1.22 0.00 0.00 84 R 7.98 4.60 0.00 2.09 1.84 0.00 3.03 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 85 V 8.33 4.89 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 0.89 0.00 0.00 0.94 0.00 0.00 86 R 8.51 4.78 0.00 1.94 1.73 0.00 3.16 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 87 K 8.76 3.98 0.00 1.96 1.97 0.00 1.78 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 88 K 8.06 4.20 0.00 1.92 2.27 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.48 7.81 89 F 8.47 3.81 0.00 3.09 3.28 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 90 L 6.84 4.35 0.00 1.76 1.57 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.69 4.60 0.00 1.98 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 2.26 2.23 0.00 92 N 8.51 4.79 0.00 2.66 2.62 0.00 0.00 6.56 7.98 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 93 G 8.37 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 94 K 8.53 5.23 0.00 1.81 1.79 0.00 1.53 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.44 7.81 95 K 9.43 5.06 0.00 1.62 1.68 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.21 7.81 96 I 8.90 4.38 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.52 0.91 0.00 0.00 97 R 8.58 3.84 0.00 1.84 2.03 0.00 3.18 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 98 V 8.22 3.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 99 C 7.89 4.62 0.00 2.95 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.50 3.81 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 0.00 101 K 8.25 3.91 0.00 1.99 1.85 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.42 7.81 *102 C 8.37 4.36 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.