NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.2491 8.2133 108.0289 47.3031 0.0000 172.9349 2 I 4.4432 8.3220 125.8019 59.0615 37.6143 172.5470 3 E 4.2069 9.8657 130.6744 55.9521 31.5618 174.9209 4 I 4.7059 8.0921 124.3150 59.3959 39.7770 175.1853 5 V 4.1623 8.5218 127.3187 61.0701 33.5292 173.9566 6 N 5.1772 8.6298 126.0760 52.7089 39.6613 174.9574 7 R 4.7237 8.6284 122.9795 54.5916 34.2671 173.8158 8 K 4.8746 8.8289 125.1880 56.0389 32.6943 176.0248 9 A 4.7951 8.8561 126.0248 50.3278 22.4947 176.2491 10 V 3.7434 8.7692 119.1321 65.8865 32.6735 175.8974 11 W 5.7506 8.5316 120.6987 55.3324 29.6788 175.3304 12 Y 5.2188 8.3847 122.2861 55.1056 41.5627 173.6712 13 L 5.4375 8.4442 123.2745 53.8088 44.0132 176.2434 14 T 4.5261 8.9498 115.8112 62.3025 69.7871 175.3318 15 S 4.3362 8.1585 120.2827 58.8668 64.1894 173.0343 16 E 4.2173 9.2819 126.7735 56.2395 30.5648 175.2844 17 I 5.1010 8.4461 127.7409 59.3602 39.7174 175.0239 18 K 4.6385 8.9254 125.6969 54.9681 36.4462 174.9410 19 E 4.5285 8.7270 123.5475 56.0531 30.2059 175.9897 20 T 4.5185 8.7518 117.1248 59.5050 71.3342 175.1887 21 E 4.0111 8.5790 120.4960 58.9424 29.7376 178.4538 22 T 4.3218 7.2109 105.6729 62.9182 71.0613 174.3630 23 G 3.8439 6.9479 113.9299 45.7570 0.0000 173.8678 24 I 4.6243 7.9639 126.1758 58.9556 40.3528 173.4981 25 E 4.7023 8.8482 125.7531 54.4052 32.5428 174.9444 26 V 4.7475 8.5484 125.5301 60.8677 33.6975 175.4879 27 S 4.8297 8.9947 123.2994 57.5545 64.2667 173.8359 28 A 4.3345 8.5441 122.7828 52.6862 18.7333 177.6475 29 G 4.1885 8.8170 108.3121 46.3852 0.0000 171.1225 30 E 5.2047 8.9292 119.6766 54.5543 33.9428 174.6724 31 L 4.9655 9.0481 127.0452 54.4207 43.8445 174.7328 32 H 4.9056 9.1337 123.8563 53.8935 31.6521 173.7558 33 K 3.6461 8.5000 125.3060 53.6841 31.4248 177.6506 34 G 3.7904 9.0157 119.4592 46.6113 0.0000 171.7587 35 D 4.9302 8.8734 122.8333 52.6507 39.5142 176.3610 36 E 4.2198 8.0289 119.6486 58.6012 30.6027 175.9850 37 E 4.4641 7.3505 118.3225 54.2216 33.2650 173.7952 38 V 4.5258 7.6635 124.1905 60.9170 34.5386 174.5251 39 F 5.0731 8.9945 125.3407 54.7925 42.8185 172.5961 40 P 4.7334 0.0000 0.0000 62.7436 32.3964 175.6074 41 V 4.5170 8.7324 123.0864 60.8009 34.0502 174.6981 42 E 4.6842 9.0329 126.3104 55.8066 30.5193 176.5040 43 E 4.5416 8.8160 119.7060 57.3376 30.5603 176.3787 44 V 4.6106 8.4714 119.3373 60.8290 34.8892 172.9564 45 S 5.0894 8.4382 116.6895 57.3127 66.2261 172.8509 46 F 4.9811 8.1024 114.6851 55.6706 41.2834 173.1955 47 D 4.6759 8.7130 120.7665 53.7765 41.4419 177.3940 48 L 3.6485 7.8195 124.7516 53.5392 40.2502 176.9619 49 T 4.0855 7.6454 115.3451 62.6817 69.2896 173.7842 50 P 4.6534 0.0000 0.0000 62.2815 32.9123 174.7742 51 D 5.0891 8.2542 117.9646 52.5208 43.1398 177.1068 52 D 4.4548 8.7448 123.7855 57.0132 41.2395 177.3384 53 T 4.1240 8.0973 113.2812 64.8007 69.8257 174.1551 54 Y 4.8897 7.7691 116.9614 55.6008 40.5001 173.9219 55 P 4.6622 0.0000 0.0000 62.4077 33.2219 175.3351 56 V 4.5092 8.6336 122.4208 61.1164 34.1990 174.0416 57 E 4.7836 9.0947 127.9105 55.4444 31.3768 175.2628 58 Y 5.0552 9.0924 121.9227 55.0861 41.6518 174.1617 *60 L 4.3287 8.1231 120.6406 55.3836 43.6198 174.7177 61 Y 4.9809 9.3603 123.9933 56.0904 41.2764 174.3692 62 L 4.5249 8.4202 125.6769 53.7492 44.3004 174.0222 63 H 5.1688 7.7185 124.4165 52.8214 32.3213 171.4359 *65 N 4.6554 8.6264 116.0726 53.8502 39.1096 176.5027 66 V 3.5808 8.3255 119.6844 64.0484 32.0916 177.7200 67 Q 4.2177 8.2338 118.1801 58.2606 29.0250 176.9843 68 T 4.0949 8.3825 106.2854 61.5799 69.4022 175.6822 69 K 3.7495 8.2869 119.9435 56.4942 30.4167 175.3863 70 K 3.9632 7.7094 121.2067 56.2741 32.3154 176.1187 71 V 4.1786 8.1642 126.1953 61.3449 32.9401 174.6140 72 S 4.6813 8.5885 122.3036 56.5429 67.4799 172.6842 73 W 5.4827 8.6076 120.4926 55.5379 30.9985 176.0971 74 S 4.9836 9.4511 118.6144 56.7744 66.9826 172.6580 75 L 4.7534 8.6896 124.6192 53.3278 44.0255 175.6802 76 C 4.9866 8.5994 125.8403 54.6800 46.1592 171.8270 77 K 4.7648 8.5779 126.3757 54.3793 34.2743 174.7694 78 A 4.6495 8.4942 128.4391 50.2628 22.4985 174.2149 79 Y 4.4537 8.5629 119.8356 56.7363 38.9304 177.0390 80 L 4.4909 9.0339 126.9435 54.2438 38.9935 176.5907 81 D 4.6235 8.4764 118.0997 52.4155 40.7302 178.0504 82 G 3.9874 8.5028 108.2993 45.4949 0.0000 173.6633 83 E 4.5504 8.1272 117.4903 56.0973 30.6719 175.9607 84 G 4.2033 7.5550 106.3432 44.4345 0.0000 171.7902 85 Y 4.9077 7.4493 117.5566 55.1027 41.1927 175.2118 86 C 4.7368 8.7307 118.6044 56.3153 41.5215 173.1124 87 D 4.8134 8.3290 121.4665 53.2691 43.8310 174.1418 88 Y 3.7601 8.6189 128.4933 57.3117 39.2358 174.8985 89 Q 4.1374 7.3990 123.4100 56.0429 30.8007 175.9119 90 G 3.6008 6.6421 106.4543 45.1108 0.0000 172.6791 91 N 4.3384 8.4244 117.4355 56.2041 39.1770 175.6202 92 E 4.0533 7.8388 116.3605 55.7070 30.4950 176.4647 93 R 3.7914 8.3055 122.6761 56.1364 30.4714 175.3298 94 L 3.9605 8.2328 127.8978 54.7456 42.6177 175.9489 95 I 3.3524 8.0648 126.9014 62.7683 37.6648 175.7275 *97 Y 5.0090 7.9058 119.0578 57.7763 37.8940 173.9061 98 P 4.9853 0.0000 0.0000 64.3270 33.4215 176.4890 99 V 4.9974 7.5868 117.3378 61.2161 34.4607 175.0053 100 S 4.7624 9.1476 122.2679 57.1237 65.2757 172.4915 101 V 4.8844 8.9395 127.2420 61.4116 35.1222 174.0509 102 T 4.7878 9.2525 124.5538 62.0409 70.5910 173.5799 103 V 4.6753 8.8927 127.6399 61.2009 33.5694 175.2274 104 F 4.7979 9.3054 127.4764 55.8281 40.1180 174.9299 105 P 4.8546 0.0000 0.0000 65.2222 31.1274 177.1741 106 N 4.5729 8.1722 111.9916 53.1215 37.6193 175.6561 107 G 4.0569 8.5690 108.1865 45.2760 0.0000 174.1797 108 T 4.1009 8.2172 117.5931 63.8161 69.8049 173.3975 109 R 5.1896 8.7647 124.9491 54.3929 33.2658 174.4634 110 E 4.9976 9.5559 124.7045 54.5620 32.7616 175.0750 111 G 4.0030 7.8474 113.9159 46.5521 0.0000 170.9452 112 T 4.9425 7.9370 115.4151 62.0548 73.5574 173.2200 113 I 4.6895 8.8690 126.5786 59.6692 39.5556 174.6588 114 F 4.7923 9.6160 128.0690 56.3120 40.0021 175.6990 115 L 4.6251 8.7247 125.5784 53.1730 43.2408 175.4245 116 Y 4.9804 8.5954 122.4944 57.4520 39.6606 174.5499 117 E 4.9598 9.5785 123.9577 53.6548 33.7387 174.6865 118 K 3.5433 7.8109 124.1054 55.9284 32.8955 176.6059 119 E 4.1909 8.4871 126.2629 56.4396 30.6253 176.9866 120 D 4.4953 8.6850 125.1330 56.7639 39.7991 176.3475 *126 K 4.3075 7.8457 116.9528 53.3627 33.9636 176.3164 127 P 4.3375 0.0000 0.0000 62.9061 31.5846 174.0367 128 P 4.6389 0.0000 0.0000 61.1224 32.7495 175.9204 129 V 3.5375 8.2334 119.9043 63.4483 31.8169 175.2595 130 I 4.0169 8.1148 125.4478 60.1453 38.0164 176.2492 131 V 3.9941 8.2645 131.4648 62.2401 30.0817 176.0850 132 E 4.2747 8.0847 120.0689 55.7052 30.5471 174.4824 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 G 8.21 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 2 I 8.32 4.44 1.98 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 1.23 0.74 0.87 0.00 0.00 3 E 9.87 4.21 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 2.22 2.24 0.00 4 I 8.09 4.71 1.80 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 1.15 0.70 0.84 0.00 0.00 5 V 8.52 4.16 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 1.09 0.00 0.00 0.69 0.00 0.00 6 N 8.63 5.18 0.00 2.63 2.72 0.00 0.00 6.85 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 7 R 8.63 4.72 0.00 1.95 1.85 0.00 3.30 0.00 0.00 3.47 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 8 K 8.83 4.87 0.00 1.72 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.46 7.81 9 A 8.86 4.80 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.77 3.74 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 0.87 0.00 0.00 0.98 0.00 0.00 11 W 8.53 5.75 0.00 3.10 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 12 Y 8.38 5.22 0.00 3.29 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 13 L 8.44 5.44 0.00 1.87 1.83 1.07 1.29 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 14 T 8.95 4.53 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 1.40 0.00 0.00 15 S 8.16 4.34 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 9.28 4.22 0.00 2.09 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 2.31 2.31 0.00 17 I 8.45 5.10 1.90 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 1.45 1.05 0.89 0.00 0.00 18 K 8.93 4.64 0.00 1.70 1.80 0.00 1.25 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.30 7.81 19 E 8.73 4.53 0.00 1.92 1.82 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 2.19 2.20 0.00 20 T 8.75 4.52 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 1.11 0.00 0.00 21 E 8.58 4.01 0.00 1.94 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 2.29 2.27 0.00 22 T 7.21 4.32 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 1.17 0.00 0.00 23 G 6.95 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 24 I 7.96 4.62 0.56 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 0.60 0.55 0.63 0.00 0.00 25 E 8.85 4.70 0.00 1.75 1.73 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 2.11 2.08 0.00 26 V 8.55 4.75 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 0.99 0.00 0.00 0.63 0.00 0.00 27 S 8.99 4.83 0.00 3.92 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 28 A 8.54 4.33 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.82 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 30 E 8.93 5.20 0.00 1.97 1.71 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 0.00 2.21 2.26 0.00 31 L 9.05 4.97 0.00 1.80 1.72 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 32 H 9.13 4.91 0.00 1.40 2.66 0.00 5.63 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 33 K 8.50 3.65 0.00 0.79 1.27 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.79 0.21 7.81 34 G 9.02 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 0.00 0.00 0.00 35 D 8.87 4.93 0.00 2.76 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 36 E 8.03 4.22 0.00 2.04 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 0.00 2.28 2.10 0.00 37 E 7.35 4.46 0.00 1.82 1.45 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 1.47 1.87 0.00 38 V 7.66 4.53 1.74 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 0.59 0.00 0.00 0.66 0.00 0.00 39 F 8.99 5.07 0.00 2.90 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 40 P 0.00 4.73 0.00 2.11 2.08 0.00 3.84 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 2.03 1.99 0.00 41 V 8.73 4.52 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 1.13 0.00 0.00 0.87 0.00 0.00 42 E 9.03 4.68 0.00 2.13 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 0.00 2.52 2.56 0.00 43 E 8.82 4.54 0.00 2.16 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 2.32 2.33 0.00 44 V 8.47 4.61 1.55 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 -0.43 0.00 0.00 0.79 0.00 0.00 45 S 8.44 5.09 0.00 3.86 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.10 4.98 0.00 3.08 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.71 4.68 0.00 2.59 2.59 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 48 L 7.82 3.65 0.00 1.45 1.48 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.65 4.09 4.42 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 1.30 0.00 0.00 50 P 0.00 4.65 0.00 2.36 2.22 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 51 D 8.25 5.09 0.00 3.06 3.01 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 52 D 8.74 4.45 0.00 2.72 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 53 T 8.10 4.12 3.51 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 0.00 0.00 0.30 0.00 0.00 54 Y 7.77 4.89 0.00 3.14 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.66 0.00 1.87 1.32 0.00 3.89 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 56 V 8.63 4.51 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 0.07 0.00 0.00 0.77 0.00 0.00 57 E 9.09 4.78 0.00 1.77 1.77 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 2.19 2.16 0.00 58 Y 9.09 5.06 0.00 2.90 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 *60 L 8.12 4.33 0.00 1.73 1.66 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 9.36 4.98 0.00 2.91 2.41 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 62 L 8.42 4.52 0.00 1.30 1.21 -0.74 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.72 5.17 0.00 3.11 2.79 0.00 5.81 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *65 N 8.63 4.66 0.00 2.73 2.75 0.00 0.00 6.95 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 66 V 8.33 3.58 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 0.67 0.00 0.00 0.89 0.00 0.00 67 Q 8.23 4.22 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 68 T 8.38 4.09 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 1.21 0.00 0.00 69 K 8.29 3.75 0.00 2.02 2.13 0.00 2.13 0.00 0.00 1.99 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.45 7.81 70 K 7.71 3.96 0.00 1.66 1.69 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.36 7.81 71 V 8.16 4.18 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 0.55 0.00 0.00 0.66 0.00 0.00 72 S 8.59 4.68 0.00 3.57 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 73 W 8.61 5.48 0.00 3.17 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.45 4.98 0.00 4.15 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 75 L 8.69 4.75 0.00 1.37 1.41 -0.15 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.60 4.99 0.00 3.36 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 77 K 8.58 4.76 0.00 1.55 1.43 0.00 1.67 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.46 0.26 7.81 78 A 8.49 4.65 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 79 Y 8.56 4.45 0.00 2.67 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 80 L 9.03 4.49 0.00 1.64 1.68 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.48 4.62 0.00 2.34 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 82 G 8.50 3.99 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 0.00 0.00 0.00 83 E 8.13 4.55 0.00 2.04 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 2.22 2.20 0.00 84 G 7.55 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 85 Y 7.45 4.91 0.00 2.99 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 86 C 8.73 4.74 0.00 3.07 3.24 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 87 D 8.33 4.81 0.00 2.93 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 88 Y 8.62 3.76 0.00 1.43 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 89 Q 7.40 4.14 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 90 G 6.64 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 91 N 8.42 4.34 0.00 2.61 2.80 0.00 0.00 7.01 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 92 E 7.84 4.05 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 93 R 8.31 3.79 0.00 1.70 1.58 0.00 3.01 0.00 0.00 2.94 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.43 0.00 94 L 8.23 3.96 0.00 1.01 1.27 0.10 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.06 3.35 1.56 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.40 0.35 0.00 0.00 *97 Y 7.91 5.01 0.00 2.93 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 98 P 0.00 4.99 0.00 2.40 2.69 0.00 4.17 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 2.45 2.49 0.00 99 V 7.59 5.00 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 0.92 0.00 0.00 1.03 0.00 0.00 100 S 9.15 4.76 0.00 4.06 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 0.00 101 V 8.94 4.88 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 0.97 0.00 0.00 0.98 0.00 0.00 102 T 9.25 4.79 4.12 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 0.62 0.00 0.00 103 V 8.89 4.68 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 1.11 0.00 0.00 1.08 0.00 0.00 104 F 9.31 4.80 0.00 3.13 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 0.00 105 P 0.00 4.85 0.00 2.10 2.27 0.00 3.99 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 106 N 8.17 4.57 0.00 2.85 2.96 0.00 0.00 6.30 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 0.00 107 G 8.57 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 0.00 108 T 8.22 4.10 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 1.23 0.00 0.00 109 R 8.76 5.19 0.00 1.76 1.84 0.00 3.15 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 110 E 9.56 5.00 0.00 2.22 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 0.00 2.32 2.36 0.00 111 G 7.85 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 0.00 0.00 0.00 112 T 7.94 4.94 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 0.27 0.00 0.00 113 I 8.87 4.69 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.69 0.90 0.00 0.00 114 F 9.62 4.79 0.00 2.94 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.72 4.63 0.00 1.50 1.61 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 8.60 4.98 0.00 3.14 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 0.00 117 E 9.58 4.96 0.00 2.07 1.73 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 2.10 2.19 0.00 118 K 7.81 3.54 0.00 0.79 1.26 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.33 7.81 119 E 8.49 4.19 0.00 1.98 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 0.00 2.33 2.51 0.00 120 D 8.69 4.50 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *126 K 7.85 4.31 0.00 1.80 1.77 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 127 P 0.00 4.34 0.00 2.03 2.04 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 128 P 0.00 4.64 0.00 2.15 2.03 0.00 3.53 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 1.94 2.05 0.00 129 V 8.23 3.54 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 0.93 0.00 0.00 130 I 8.11 4.02 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 1.30 0.91 0.91 0.00 0.00 131 V 8.26 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 132 E 8.08 4.27 0.00 1.97 1.61 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 2.12 1.87 0.00 * Residues marked with a * may have inaccurate shift predictions.