NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4228 8.1233 122.4681 51.9818 20.1936 175.2754 2 E 4.7197 8.6592 121.5353 53.8716 32.4182 170.9829 3 V 3.8594 8.8749 126.0865 62.6566 32.3721 175.5576 4 A 4.2534 8.7751 130.1478 51.4971 19.4145 176.0436 5 P 3.8246 0.0000 0.0000 65.7257 31.3920 179.1940 6 G 3.9175 8.0610 104.6695 48.0612 0.0000 173.3950 7 D 4.8317 8.1062 117.3681 53.7650 41.7682 176.6897 8 V 3.6468 7.4226 118.6087 62.5681 32.0060 175.4323 9 A 4.4562 8.4666 129.8074 50.9950 18.6591 176.3451 10 I 4.6238 8.0519 123.1660 60.0699 39.8095 176.5419 11 D 4.6593 8.5553 125.9368 52.7448 41.0398 176.5685 12 G 3.8085 8.4570 106.2741 47.2115 0.0000 174.2910 13 Q 4.1225 8.5633 118.5211 55.6139 29.0068 176.8251 14 G 3.9280 8.0976 107.3302 45.4308 0.0000 173.7558 15 H 4.3513 7.9577 116.7201 55.8303 29.5822 174.8619 16 V 4.5590 8.4596 120.4160 61.3621 32.9347 175.9165 17 A 4.2351 8.6614 130.7922 53.3705 19.0890 177.1006 18 R 4.7202 7.5198 113.2895 53.4001 32.9993 174.0804 19 P 4.5683 0.0000 0.0000 62.8572 32.0204 176.8272 20 L 4.2729 8.9526 119.5402 55.9532 41.9712 176.5011 21 T 5.0266 7.4929 111.1359 61.4685 70.1168 172.5288 22 D 4.5543 8.4755 122.7705 53.9479 40.3451 176.9447 23 A 4.0778 7.5372 123.8895 51.2797 18.7903 175.5222 24 P 4.3911 0.0000 0.0000 62.2530 32.1581 176.4782 25 G 3.5799 8.4935 110.6384 45.4329 0.0000 173.0537 26 D 4.6708 9.4818 124.7942 52.2772 42.0605 175.4844 27 P 4.3977 0.0000 0.0000 65.3222 31.6138 178.5913 28 V 3.5868 8.2620 119.0982 65.9815 31.4347 177.5459 29 E 4.0155 8.4399 118.8253 58.8975 29.5342 178.4315 30 G 3.8281 8.2811 106.2765 48.0326 0.0000 175.3895 31 R 2.8660 7.6573 121.1719 58.7098 29.9497 178.4664 32 R 3.7216 7.6408 117.9580 59.3902 29.9027 178.4453 33 L 3.9476 8.0045 118.7863 58.1490 41.7745 179.3321 34 M 4.0168 8.0064 118.7844 57.6826 31.6179 177.8060 35 T 4.7018 6.9650 106.3064 60.2836 69.7663 173.8450 36 D 4.4514 7.5286 122.7602 54.0932 40.8515 177.0005 37 R 4.2400 8.5220 126.2552 58.2956 30.3118 178.1005 38 S 4.4202 8.4948 111.8673 59.4349 62.4328 173.6231 39 V 4.0748 7.4251 117.9079 63.9272 33.0407 176.8193 40 G 3.5304 7.5424 110.7238 48.1442 0.0000 174.2398 41 N 4.2463 8.4194 117.6157 54.0857 38.2943 175.9226 42 C 4.4103 7.9432 115.6690 62.1466 28.5464 176.0694 43 I 4.3634 8.0112 111.2387 61.8909 37.9040 177.5437 44 A 4.0093 8.0377 124.8004 55.0280 18.4146 178.4807 45 C 4.7178 8.2793 111.7283 59.9277 31.1229 174.0063 46 H 5.1834 8.0341 115.4987 53.6943 32.1101 172.4542 47 E 4.4581 8.7802 123.5542 55.4673 31.3258 175.4081 48 V 4.6996 8.1748 125.2378 61.3663 33.9842 175.2130 49 T 4.0997 9.4138 118.9626 63.7609 69.1326 176.2031 50 E 4.1425 8.2925 122.0549 58.2260 31.1696 176.1174 51 M 4.4969 7.7139 114.3668 56.3133 31.9974 178.3352 *55 Q 3.6823 8.8822 109.8179 56.2180 30.2990 174.0512 56 F 4.0349 7.9748 116.0784 58.2313 36.0582 174.0965 57 P 4.6249 0.0000 0.0000 62.1388 32.5021 177.0097 58 G 4.3858 8.7984 109.7681 45.5607 0.0000 173.3819 59 T 4.5781 8.0742 105.6761 61.0409 69.6149 175.2340 60 V 3.6112 8.0984 123.0801 65.8711 31.7066 176.2622 61 G 4.1229 7.7410 105.6510 43.7122 0.0000 171.8081 62 P 4.6430 0.0000 0.0000 62.1360 32.2937 176.1926 63 S 4.3111 8.6121 115.8819 58.9111 62.9663 173.8595 64 L 4.4015 8.8753 125.7024 54.5915 41.7521 176.2848 65 D 4.4756 7.7019 120.4135 55.8108 41.2905 177.0644 66 G 3.9183 8.9082 111.6999 45.6994 0.0000 175.3359 67 V 3.3533 7.5924 120.7715 64.7270 30.8999 178.2646 68 A 3.9379 7.7436 120.2283 54.5929 18.2727 179.1222 69 A 4.0487 7.9318 118.6910 54.7548 18.5654 179.0454 70 R 4.2625 7.5046 112.6887 56.4682 30.5921 176.2899 71 Y 5.1056 7.3785 116.0496 54.9548 41.3887 174.0713 72 P 4.6299 0.0000 0.0000 62.1247 33.8872 177.1201 73 E 3.9059 8.6250 118.0520 59.4052 29.4982 178.4127 74 A 4.4767 7.9654 121.6616 54.8012 18.2916 179.1685 75 M 3.6113 7.7638 116.1152 58.5358 32.2938 178.3107 76 I 3.7635 7.6593 119.8119 64.4792 37.3213 178.3888 77 R 3.9950 8.7562 120.0081 59.2984 29.9518 178.7795 78 G 3.7846 7.8238 106.4530 47.3425 0.0000 175.4538 79 I 3.8336 7.8007 121.4151 64.2468 37.0938 178.1128 80 L 4.3770 7.7642 119.6349 57.0810 41.5603 179.6701 81 V 3.9376 7.9883 118.6353 64.7894 32.0255 175.2599 82 N 4.7034 8.2110 118.7793 51.4875 40.2386 174.2282 83 S 4.3723 8.8185 122.0510 61.5385 62.7335 176.4812 84 K 4.3105 8.3017 120.9502 58.9869 31.4928 178.9670 85 N 4.3356 8.1172 116.5632 55.5719 38.4315 176.7112 86 V 3.9164 7.4336 117.9348 63.1812 33.4097 175.7336 87 F 4.8349 8.4569 118.6374 53.8270 39.2058 171.3073 88 P 4.5959 0.0000 0.0000 63.3756 31.7789 176.2025 89 E 3.8193 9.0856 119.7891 57.2175 27.0607 174.5538 90 T 4.0247 7.9276 113.3384 62.6299 67.6963 174.5379 91 V 3.9559 8.1582 117.9757 62.2694 32.1966 176.4712 92 M 4.2501 7.9307 121.1748 54.4835 32.5660 174.2878 93 P 4.1824 0.0000 0.0000 62.5156 32.0441 175.9723 94 A 4.4879 8.1868 123.7305 51.4776 18.7994 177.1007 95 Y 4.3529 8.3707 120.3961 59.9035 38.5453 176.3823 96 Y 5.1611 8.0734 121.2406 57.3385 39.4385 175.0087 97 R 4.6948 8.2409 115.9699 54.3555 32.4590 176.5530 98 V 4.6703 8.2701 112.2901 60.9075 33.2941 175.1652 99 E 4.5653 7.8090 118.2805 55.4534 33.0658 175.8776 100 G 3.7664 8.7317 109.0158 45.0671 0.0000 173.9335 101 F 4.4447 7.2779 117.8423 57.1062 39.7173 174.4863 102 N 4.7296 8.7580 121.5186 52.8425 39.5350 175.5529 103 R 3.8550 8.7094 123.9158 56.4971 27.7015 174.9104 104 P 4.3474 0.0000 0.0000 62.9509 32.7799 176.2565 105 G 4.2288 8.2608 108.5422 44.1023 0.0000 172.8465 106 I 3.9369 9.0465 121.6623 60.0929 37.7739 177.9779 107 A 3.0894 8.2854 132.4803 53.2287 18.4456 177.0790 108 F 4.8652 8.7072 115.4174 60.0065 39.1632 175.9843 109 T 4.2035 7.9732 110.3194 61.5226 69.0752 175.6620 110 S 3.8855 8.0384 116.6331 58.9454 60.9239 170.5917 111 K 4.4648 7.5189 120.5932 54.6559 33.4928 174.6922 112 P 4.7128 0.0000 0.0000 62.6724 32.1530 176.1102 113 I 3.9723 8.0285 125.5899 61.1330 37.5837 175.3267 114 E 4.5686 9.0555 127.1693 55.6890 32.0993 175.8138 115 G 3.9499 8.6723 109.9449 44.5292 0.0000 172.8465 116 E 4.0402 8.5143 124.6279 55.9109 30.2578 176.3148 117 I 4.1779 8.2137 127.2545 60.3707 38.1295 175.6803 118 R 4.3590 8.2907 124.7983 54.3163 31.1705 174.7128 119 P 4.5441 0.0000 0.0000 62.3235 32.1394 176.5062 120 L 4.1555 8.5725 119.3197 57.4452 41.7782 177.7217 121 M 5.1274 7.9892 115.8103 52.8122 35.7024 175.9114 122 T 4.4110 9.0288 112.5262 61.1945 71.1157 175.6317 123 A 3.6676 8.7770 123.4376 55.3913 18.2822 180.3039 124 G 3.5139 8.2462 104.0070 48.0032 0.0000 176.0170 125 Q 4.0092 8.3040 120.4678 58.7075 28.6078 178.9535 126 I 3.6638 7.9027 120.9692 64.4808 37.1519 178.4140 127 E 3.9663 8.3584 119.4968 59.2183 29.2014 179.2003 128 D 4.3476 8.2817 119.3207 57.3486 40.9260 178.9501 129 V 3.6320 7.7859 118.7300 65.9803 31.5445 178.0584 130 V 3.6042 8.1696 118.1867 66.1341 31.0725 177.8754 131 A 4.0192 7.9832 119.4480 55.1312 18.4504 178.7615 132 Y 4.0911 8.0603 118.1238 60.9306 38.9544 178.1945 133 L 3.8320 8.5570 120.1006 57.8439 41.4335 179.2985 134 M 4.1165 7.8409 117.9628 57.7877 31.9525 178.1932 135 T 4.0058 7.5128 108.8985 62.8837 70.5967 175.2617 136 L 4.2419 7.5063 125.2259 53.5933 40.1001 176.8495 137 T 4.0286 7.5668 111.8616 63.0982 70.6553 176.5290 *138 Q 4.1254 7.9593 124.3719 55.1128 28.8384 179.1755 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 8.12 4.42 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 2 E 8.66 4.72 0.00 1.98 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 2.40 0.00 3 V 8.87 3.86 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 0.79 0.00 0.00 0.96 0.00 0.00 4 A 8.78 4.25 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 5 P 0.00 3.82 0.00 1.95 1.87 0.00 3.47 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 1.70 0.61 0.00 6 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 7 D 8.11 4.83 0.00 2.78 2.71 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 0.00 0.00 0.00 8 V 7.42 3.65 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 0.80 0.00 0.00 1.22 0.00 0.00 9 A 8.47 4.46 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 10 I 8.05 4.62 1.88 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 1.50 0.89 0.96 0.00 0.00 11 D 8.56 4.66 0.00 2.89 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 12 G 8.46 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 13 Q 8.56 4.12 0.00 1.78 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 14 G 8.10 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 15 H 7.96 4.35 0.00 3.56 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.46 4.56 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 0.99 0.00 0.00 0.95 0.00 0.00 17 A 8.66 4.24 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 18 R 7.52 4.72 0.00 1.78 1.82 0.00 3.22 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 19 P 0.00 4.57 0.00 2.15 2.09 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 20 L 8.95 4.27 0.00 1.53 1.51 0.39 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.49 5.03 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 1.19 0.00 0.00 22 D 8.48 4.55 0.00 2.82 2.77 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 23 A 7.54 4.08 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 24 P 0.00 4.39 0.00 2.19 2.06 0.00 3.77 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 1.99 1.96 0.00 25 G 8.49 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.48 4.67 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.43 2.41 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 28 V 8.26 3.59 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 0.97 0.00 0.00 0.95 0.00 0.00 29 E 8.44 4.02 0.00 2.11 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 2.46 2.41 0.00 30 G 8.28 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 31 R 7.66 2.87 0.00 1.59 1.83 0.00 3.03 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.60 0.00 32 R 7.64 3.72 0.00 1.89 1.99 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 33 L 8.00 3.95 0.00 1.82 1.65 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 34 M 8.01 4.02 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.50 0.00 35 T 6.97 4.70 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 1.15 0.00 0.00 36 D 7.53 4.45 0.00 2.84 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 37 R 8.52 4.24 0.00 1.86 2.00 0.00 3.31 0.00 0.00 3.80 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 38 S 8.49 4.42 0.00 3.89 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 39 V 7.43 4.07 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 0.91 0.00 0.00 1.02 0.00 0.00 40 G 7.54 3.53 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 0.00 0.00 0.00 41 N 8.42 4.25 0.00 3.16 2.91 0.00 0.00 7.29 7.19 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 42 C 7.94 4.41 0.00 3.08 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 43 I 8.01 4.36 1.90 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 1.33 1.86 0.95 0.00 0.00 44 A 8.04 4.01 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 45 C 8.28 4.72 0.00 2.81 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 46 H 8.03 5.18 0.00 3.20 3.15 0.00 5.61 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 E 8.78 4.46 0.00 2.07 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 2.36 2.31 0.00 48 V 8.17 4.70 2.14 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 1.02 0.00 0.00 1.00 0.00 0.00 49 T 9.41 4.10 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 50 E 8.29 4.14 0.00 1.95 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 0.00 2.34 2.27 0.00 51 M 7.71 4.50 0.00 1.98 1.30 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 *55 Q 8.88 3.68 0.00 1.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 1.87 2.16 0.00 56 F 7.97 4.03 0.00 3.23 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 57 P 0.00 4.62 0.00 2.21 2.07 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 58 G 8.80 4.39 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 0.00 59 T 8.07 4.58 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 1.22 0.00 0.00 60 V 8.10 3.61 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 0.78 0.00 0.00 0.93 0.00 0.00 61 G 7.74 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 0.00 0.00 0.00 0.00 62 P 0.00 4.64 0.00 2.08 2.06 0.00 3.83 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 63 S 8.61 4.31 0.00 4.01 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 64 L 8.88 4.40 0.00 1.72 1.61 0.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.70 4.48 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 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 67 V 7.59 3.35 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 0.79 0.00 0.00 0.78 0.00 0.00 68 A 7.74 3.94 1.35 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 69 A 7.93 4.05 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 70 R 7.50 4.26 0.00 1.93 1.96 0.00 2.65 0.00 0.00 3.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.82 0.00 71 Y 7.38 5.11 0.00 2.90 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 72 P 0.00 4.63 0.00 2.27 2.21 0.00 3.74 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 2.01 2.03 0.00 73 E 8.62 3.91 0.00 2.05 1.98 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 2.37 2.37 0.00 74 A 7.97 4.48 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 75 M 7.76 3.61 0.00 2.05 1.58 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 76 I 7.66 3.76 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.78 0.94 0.00 0.00 77 R 8.76 4.00 0.00 1.87 2.05 0.00 3.29 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 78 G 7.82 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 79 I 7.80 3.83 2.17 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.69 1.16 0.00 0.00 80 L 7.76 4.38 0.00 1.79 1.73 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.99 3.94 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 1.18 0.00 0.00 1.01 0.00 0.00 82 N 8.21 4.70 0.00 2.82 2.69 0.00 0.00 7.01 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 83 S 8.82 4.37 0.00 4.33 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 84 K 8.30 4.31 0.00 2.12 1.93 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.49 1.58 7.81 85 N 8.12 4.34 0.00 2.81 2.86 0.00 0.00 6.86 7.54 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 86 V 7.43 3.92 1.64 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 -0.02 0.00 0.00 0.86 0.00 0.00 87 F 8.46 4.83 0.00 3.18 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 88 P 0.00 4.60 0.00 2.07 2.04 0.00 3.93 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 89 E 9.09 3.82 0.00 2.16 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 0.00 2.23 2.30 0.00 90 T 7.93 4.02 4.53 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 1.43 0.00 0.00 91 V 8.16 3.96 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 0.74 0.00 0.00 0.94 0.00 0.00 92 M 7.93 4.25 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.75 0.00 93 P 0.00 4.18 0.00 1.20 1.64 0.00 3.90 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 2.03 2.05 0.00 94 A 8.19 4.49 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 95 Y 8.37 4.35 0.00 3.52 3.15 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 96 Y 8.07 5.16 0.00 2.91 3.10 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 97 R 8.24 4.69 0.00 2.01 1.74 0.00 3.35 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 98 V 8.27 4.67 2.21 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 0.72 0.00 0.00 0.86 0.00 0.00 99 E 7.81 4.57 0.00 1.77 1.66 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 2.14 2.23 0.00 100 G 8.73 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 0.00 101 F 7.28 4.44 0.00 3.03 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 0.00 102 N 8.76 4.73 0.00 2.74 2.78 0.00 0.00 7.01 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 0.00 103 R 8.71 3.85 0.00 1.96 2.00 0.00 3.22 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 104 P 0.00 4.35 0.00 2.01 2.12 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 105 G 8.26 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 0.00 0.00 0.00 0.00 106 I 9.05 3.94 1.83 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 1.11 0.57 0.87 0.00 0.00 107 A 8.29 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 8.71 4.87 0.00 3.05 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 0.00 109 T 7.97 4.20 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 1.28 0.00 0.00 110 S 8.04 3.89 0.00 4.07 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 0.00 111 K 7.52 4.46 0.00 1.67 1.70 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.41 7.81 112 P 0.00 4.71 0.00 1.93 1.98 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 113 I 8.03 3.97 1.85 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 1.17 0.38 0.89 0.00 0.00 114 E 9.06 4.57 0.00 1.92 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 2.45 0.00 115 G 8.67 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 0.00 116 E 8.51 4.04 0.00 1.94 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 2.28 2.32 0.00 117 I 8.21 4.18 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.71 0.96 0.00 0.00 118 R 8.29 4.36 0.00 1.78 1.85 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 119 P 0.00 4.54 0.00 2.62 1.90 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.86 0.00 120 L 8.57 4.16 0.00 1.77 1.94 0.59 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 121 M 7.99 5.13 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 122 T 9.03 4.41 4.32 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 0.00 0.00 0.00 1.27 0.00 0.00 123 A 8.78 3.67 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 0.00 124 G 8.25 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 0.00 0.00 0.00 0.00 125 Q 8.30 4.01 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 126 I 7.90 3.66 1.82 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 1.49 0.80 0.81 0.00 0.00 127 E 8.36 3.97 0.00 1.94 1.98 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 2.41 2.45 0.00 128 D 8.28 4.35 0.00 2.83 2.90 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 0.00 129 V 7.79 3.63 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 0.80 0.00 0.00 0.94 0.00 0.00 130 V 8.17 3.60 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 0.95 0.00 0.00 0.99 0.00 0.00 131 A 7.98 4.02 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 0.00 132 Y 8.06 4.09 0.00 3.28 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 0.00 133 L 8.56 3.83 0.00 1.81 1.67 0.94 0.96 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 0.00 134 M 7.84 4.12 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.87 0.00 135 T 7.51 4.01 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 1.19 0.00 0.00 136 L 7.51 4.24 0.00 1.69 1.54 0.87 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.57 4.03 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 1.16 0.00 0.00 *138 Q 7.96 4.13 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.