NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.2036 8.3544 109.7874 45.3218 0.0000 172.9058 3 F 4.0672 8.7488 123.0162 56.7822 39.5243 173.9413 4 K 4.4505 8.5758 127.9754 55.9112 34.3750 176.9269 5 G 3.5283 5.4053 105.1794 44.1317 0.0000 174.2017 6 V 3.9799 8.2907 114.2921 60.7519 32.3669 176.3268 7 G 3.9039 7.4850 109.9031 45.6296 0.0000 170.6343 8 T 5.0867 7.4055 115.6851 62.4967 70.4170 174.1167 9 Y 5.4500 9.1776 122.5204 56.4705 43.1528 174.0878 10 E 4.8971 9.3789 121.4971 55.9744 31.5735 175.5039 11 I 4.4465 8.4410 123.8727 59.4414 39.9299 174.5237 12 V 4.8762 8.7667 127.4437 60.1379 34.4332 172.9017 13 P 3.7015 0.0000 0.0000 62.6316 31.8684 176.4665 14 Y 3.9621 7.9987 125.2539 61.0365 38.5602 177.7229 15 Q 3.8978 8.0723 115.8182 57.9051 29.5198 176.4288 16 A 4.5916 7.6234 121.0550 49.7636 19.0976 174.5959 17 P 4.4955 0.0000 0.0000 63.7979 32.2120 178.3494 18 S 4.4466 7.9699 113.6262 59.4983 63.8776 173.3340 19 L 5.4593 8.1116 120.2577 53.2357 45.3518 174.7176 20 N 5.3328 9.2108 117.5483 51.2606 41.4055 172.7702 21 L 4.6874 8.9793 121.5633 54.8479 43.2882 175.0541 22 N 5.5672 9.5787 124.0863 51.9412 42.8400 172.6493 23 A 5.3726 8.7719 125.9215 49.9120 21.9826 175.2020 24 W 4.6239 8.9660 131.4773 55.3055 33.2901 174.4175 25 E 3.9919 7.3502 121.4457 54.5588 31.9790 175.0596 26 G 3.5833 7.6252 107.9797 45.7585 0.0000 174.1756 27 K 4.4603 7.8703 119.9741 56.5978 32.9593 177.0951 28 L 3.4977 8.1914 115.6386 56.3704 39.2863 174.7953 29 E 4.2071 7.4203 115.8582 55.2790 30.1589 175.0626 30 P 3.7830 0.0000 0.0000 63.0797 32.0570 176.5226 31 G 3.8683 8.6638 107.7958 44.5453 0.0000 173.8109 32 A 4.1428 7.9259 121.5978 52.7022 19.2459 177.9308 33 V 4.4004 8.4629 114.4292 61.0029 33.5209 175.5382 34 V 4.7313 8.3609 122.5347 61.5998 33.5860 174.9462 35 R 5.3942 8.9481 125.5880 54.4479 35.1242 174.6556 36 T 4.8678 8.8649 111.1079 62.4132 70.4454 172.9294 37 Y 4.9675 9.1427 122.7881 56.2362 42.9435 173.7779 38 T 3.9634 7.2474 120.3686 64.2361 69.1706 173.3775 39 R 4.2931 8.6727 127.6067 55.2814 30.6049 176.4573 40 G 3.8422 8.7843 116.1686 45.2168 0.0000 172.7746 41 D 4.4335 8.8958 123.1446 56.3919 40.9405 176.7395 42 K 4.4629 7.6545 118.4448 53.2822 32.4744 173.5719 43 P 4.4147 0.0000 0.0000 62.2818 32.2453 177.1280 44 S 4.4997 8.3621 115.3839 57.5527 64.3620 174.8283 45 D 4.3567 8.4407 120.1516 56.9754 40.9852 178.4049 46 N 4.2538 7.7238 115.6752 54.3558 37.5963 175.8245 47 A 5.0036 7.7305 119.9490 50.6991 19.9997 176.1266 48 K 4.9297 7.5393 116.8898 55.7545 35.9914 175.5122 49 W 5.3599 9.0284 122.1299 55.1071 33.4930 174.0216 50 Q 4.7596 9.6063 127.2250 55.3316 30.0699 174.6382 51 V 4.6820 9.2458 128.2391 62.1955 32.9457 174.4074 52 A 5.1420 9.0944 130.5261 49.7794 21.5563 174.7750 53 L 4.3510 8.9197 125.6664 55.4702 42.2508 176.8504 54 V 4.4608 8.4725 118.2495 61.4456 34.1231 175.4896 55 A 4.2809 7.9048 120.0079 52.1871 22.3641 178.0606 56 G 3.6211 9.8115 107.9924 46.5358 0.0000 172.6400 57 S 4.2504 8.6851 109.4472 58.5645 65.4935 174.6656 58 G 3.9221 8.7627 114.2970 45.4208 0.0000 171.7957 59 D 4.6195 8.6008 118.8706 54.7043 40.8127 177.5116 60 S 4.7046 8.7141 123.8223 57.3603 63.4479 174.3078 61 A 4.1686 7.6671 122.1386 53.4530 18.9346 178.0836 62 E 4.8218 8.8941 121.7373 54.6725 33.0508 174.8836 63 Y 5.2920 9.0084 120.1565 56.2364 42.4919 174.7555 64 L 4.7202 8.9523 122.3017 54.3280 43.8713 176.2639 65 I 4.8604 8.5628 122.6170 59.9276 39.6516 173.8784 66 I 5.1608 9.0836 129.1931 59.2510 39.4117 175.0927 67 N 3.7332 9.4084 127.3286 53.5036 39.1572 175.8649 68 V 3.4763 8.1109 127.1201 66.5246 31.7381 177.0184 69 H 4.2038 8.2849 119.2823 58.8251 29.8902 175.9626 70 S 4.0767 7.9045 111.5946 57.8025 63.6762 175.4106 71 G 3.7454 7.9560 107.7413 45.5922 0.0000 172.9837 72 Y 4.4146 7.3673 117.6423 57.2855 40.0280 174.3530 73 F 5.6454 7.9329 117.4825 56.0004 41.1195 175.2623 74 L 4.6401 9.2269 126.7042 56.1136 42.4639 176.4020 75 T 5.2397 9.3777 122.3351 61.9423 72.8587 172.8161 76 A 4.9923 8.7584 127.6033 51.2867 20.0597 176.6444 77 T 4.3728 8.7061 110.2987 62.5632 70.7516 174.9487 78 K 4.6183 7.4603 119.9641 53.4558 36.1831 175.2404 79 E 4.1974 8.6681 122.5527 57.5614 30.0522 175.8895 80 N 4.2672 9.3605 122.9080 54.9698 38.1968 172.9472 81 H 5.0895 7.7569 111.6353 52.7832 33.0356 173.0857 82 I 4.3252 8.3911 119.9197 61.5961 38.7436 175.6841 83 V 4.6025 8.7694 121.5439 60.9195 34.0150 175.0242 84 S 5.0763 8.7408 116.3606 57.7190 66.9827 173.3201 85 T 5.5674 8.8907 108.0121 58.6722 66.7905 171.5717 86 P 4.6713 0.0000 0.0000 62.4430 34.1139 176.4579 87 Q 4.0662 7.9354 121.5596 55.8290 29.2689 174.8241 88 I 4.5094 7.6322 123.6277 59.4272 41.2416 173.8434 89 S 4.4051 8.5869 120.2650 57.6073 62.7742 173.3387 90 P 4.4917 0.0000 0.0000 64.8594 31.2319 176.8188 91 T 4.2803 7.6595 108.3632 61.4420 69.5996 174.2354 92 D 4.4541 8.0477 124.6101 53.3843 41.6233 175.1371 93 P 4.2539 0.0000 0.0000 65.3661 31.6795 178.2066 94 S 4.1586 8.5126 113.2659 60.0050 63.0800 174.8047 95 A 4.8320 7.8561 121.8602 51.8303 19.5572 176.6883 96 R 4.9220 7.5746 116.1084 54.6618 33.2919 175.3312 97 W 5.6499 9.1260 121.2246 55.3271 33.9546 174.2545 98 T 5.0218 9.2258 113.4374 60.2906 71.2619 173.6209 99 I 4.8342 8.3860 123.2776 59.6388 39.6310 174.9469 100 K 4.8356 8.7986 126.4133 53.5157 35.9479 174.4376 101 P 4.0619 0.0000 0.0000 62.8916 31.3702 176.4650 102 A 4.1969 8.7053 126.7136 54.5539 18.7984 177.5214 103 T 4.5781 7.4258 102.4918 59.9818 72.0659 174.4079 104 T 4.1109 8.0430 112.6433 60.6939 68.0160 174.2619 *107 Y 4.3237 7.7407 131.1074 58.6400 39.2254 174.3114 108 E 4.7120 7.6566 117.2656 57.1610 32.7115 176.7348 109 V 4.4489 7.1240 119.1084 60.4135 34.2143 174.2437 110 F 5.3646 9.2621 125.6176 55.9289 43.4571 174.0005 111 T 5.1407 8.8943 111.3330 60.5039 71.7761 173.9173 112 I 4.8167 8.3475 122.9565 59.8960 40.0629 173.5160 113 N 5.3860 9.2629 125.6300 51.0405 40.8340 174.4248 114 N 3.8448 9.1057 123.5370 53.0717 39.1149 174.9236 115 K 3.9019 8.3314 127.0960 59.1843 33.2252 176.9821 116 V 3.8168 8.1093 121.0883 61.5769 30.9321 176.4545 117 S 4.0624 8.5514 123.7878 61.1342 63.1099 176.3234 118 E 3.9919 8.0641 120.6254 58.6042 29.5025 177.4526 119 L 4.1468 7.8833 117.9395 55.3109 42.9190 178.9461 120 G 3.9716 8.1155 106.6479 45.2332 0.0000 172.0777 121 Q 5.2708 8.8917 119.6848 53.9136 32.8741 175.2822 122 L 4.6313 8.9019 120.7784 55.5307 42.7898 176.6646 123 T 4.9908 9.0800 119.7031 62.0048 73.3681 173.1296 124 V 4.1698 8.6474 126.8852 61.6884 33.0757 175.4185 125 K 3.7701 8.9759 129.8154 58.2490 32.4148 176.1872 126 D 4.6370 9.2783 124.0606 55.4916 38.3146 172.9257 127 Y 3.5431 7.4488 113.2133 58.8066 36.0841 170.8823 128 S 4.2958 7.9261 113.4106 58.8376 62.9356 173.6846 129 T 4.4937 8.5434 115.6165 61.5085 68.9401 173.4022 130 H 4.8703 7.8000 118.3608 53.7321 31.4883 174.0659 131 S 4.0119 8.3436 116.4219 60.1671 62.5603 174.4895 132 G 3.9802 9.1834 114.7216 45.2277 0.0000 173.0300 133 A 4.4460 7.8103 121.5335 50.9367 20.0486 177.6236 134 D 4.6824 8.8163 121.4468 54.5742 42.5165 175.3677 135 V 4.7208 8.4886 122.3822 61.4232 33.5421 174.9016 136 L 5.1726 9.2896 127.8865 53.3215 45.1478 175.2480 137 S 5.2794 8.6985 115.3312 56.8997 64.1213 172.7685 138 A 5.3269 9.1066 128.7488 49.6401 22.8997 175.1126 139 S 4.4691 9.1193 114.7895 58.3114 63.6064 174.5215 140 A 4.5659 8.5670 124.9141 52.3342 18.5801 177.3601 141 K 4.5624 8.9172 120.2319 55.1403 33.9263 176.3257 142 T 3.3601 7.9368 107.0127 62.5080 67.6441 171.7283 143 A 4.7074 7.8167 122.6175 51.8156 20.5570 178.9425 144 D 4.3513 8.6311 119.7999 57.0002 41.3047 177.9364 145 N 4.5194 8.1307 114.9051 53.4277 37.4192 175.4402 146 Q 5.2143 7.6913 116.1684 54.9618 30.1202 175.2169 147 K 4.8025 7.3307 118.6896 54.5084 35.1103 175.3791 148 W 5.5045 9.0265 122.2055 55.4388 33.8944 173.7975 149 Y 5.3232 9.2886 120.8624 56.8522 40.1551 174.6436 150 F 5.0074 9.2507 120.4395 55.9505 41.5029 174.4585 151 D 5.2029 9.2489 124.4037 52.1031 43.1035 175.8251 152 A 4.2881 8.9162 126.3286 52.1413 19.1447 177.2151 153 K 4.1614 8.5098 121.1763 56.7988 33.1562 176.1026 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 G 8.35 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 3 F 8.75 4.07 0.00 1.51 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 0.00 0.00 0.00 4 K 8.58 4.45 0.00 1.71 1.69 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.17 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.54 7.81 5 G 5.41 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 6 V 8.29 3.98 2.25 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 0.93 0.00 0.00 0.97 0.00 0.00 7 G 7.49 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 8 T 7.41 5.09 4.31 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 1.22 0.00 0.00 9 Y 9.18 5.45 0.00 3.02 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 10 E 9.38 4.90 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 2.41 2.39 0.00 11 I 8.44 4.45 1.38 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.59 0.09 0.00 0.00 12 V 8.77 4.88 2.34 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 1.22 0.00 0.00 1.04 0.00 0.00 13 P 0.00 3.70 0.00 1.83 1.62 0.00 4.08 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.98 0.00 14 Y 8.00 3.96 0.00 2.51 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 15 Q 8.07 3.90 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 16 A 7.62 4.59 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 17 P 0.00 4.50 0.00 2.10 2.13 0.00 3.69 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 1.92 1.89 0.00 18 S 7.97 4.45 0.00 3.89 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 19 L 8.11 5.46 0.00 1.64 1.71 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 N 9.21 5.33 0.00 3.02 3.00 0.00 0.00 7.00 6.21 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 21 L 8.98 4.69 0.00 1.88 1.60 0.69 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 22 N 9.58 5.57 0.00 2.98 2.89 0.00 0.00 6.42 7.48 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 23 A 8.77 5.37 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.97 4.62 0.00 3.09 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 25 E 7.35 3.99 0.00 2.11 1.65 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 1.89 2.33 0.00 26 G 7.63 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 27 K 7.87 4.46 0.00 1.80 1.92 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.49 7.81 28 L 8.19 3.50 0.00 1.75 1.72 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.42 4.21 0.00 2.15 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 2.25 2.35 0.00 30 P 0.00 3.78 0.00 1.68 0.61 0.00 3.63 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 1.76 1.66 0.00 31 G 8.66 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 0.00 0.00 0.00 32 A 7.93 4.14 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 33 V 8.46 4.40 2.15 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 0.74 0.00 0.00 1.01 0.00 0.00 34 V 8.36 4.73 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 0.99 0.00 0.00 1.07 0.00 0.00 35 R 8.95 5.39 0.00 1.91 1.94 0.00 3.28 0.00 0.00 3.52 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 36 T 8.86 4.87 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 1.33 0.00 0.00 37 Y 9.14 4.97 0.00 3.14 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 38 T 7.25 3.96 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 1.15 0.00 0.00 39 R 8.67 4.29 0.00 1.97 1.94 0.00 3.52 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 40 G 8.78 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 41 D 8.90 4.43 0.00 2.69 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 42 K 7.65 4.46 0.00 1.71 1.75 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.33 7.81 43 P 0.00 4.41 0.00 2.22 2.11 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 44 S 8.36 4.50 0.00 4.01 4.05 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 45 D 8.44 4.36 0.00 2.68 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 46 N 7.72 4.25 0.00 2.87 2.89 0.00 0.00 6.51 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 47 A 7.73 5.00 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 48 K 7.54 4.93 0.00 1.58 1.65 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.51 7.81 49 W 9.03 5.36 0.00 3.30 3.11 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 0.00 0.00 0.00 50 Q 9.61 4.76 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 51 V 9.25 4.68 2.38 0.00 0.00 0.00 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 1.10 0.00 0.00 52 A 9.09 5.14 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 53 L 8.92 4.35 0.00 1.78 1.64 0.61 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.47 4.46 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 0.67 0.00 0.00 0.90 0.00 0.00 55 A 7.90 4.28 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 56 G 9.81 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.69 4.25 0.00 3.96 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 58 G 8.76 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 59 D 8.60 4.62 0.00 2.69 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 60 S 8.71 4.70 0.00 3.96 4.04 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 61 A 7.67 4.17 1.09 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 62 E 8.89 4.82 0.00 1.74 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 2.14 2.16 0.00 63 Y 9.01 5.29 0.00 2.89 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 64 L 8.95 4.72 0.00 1.49 1.30 0.33 0.74 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 65 I 8.56 4.86 1.64 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.88 0.65 0.00 0.00 66 I 9.08 5.16 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 1.20 0.00 0.00 67 N 9.41 3.73 0.00 2.44 2.54 0.00 0.00 6.42 7.37 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 68 V 8.11 3.48 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 0.69 0.00 0.00 0.92 0.00 0.00 69 H 8.28 4.20 0.00 3.04 3.32 0.00 5.96 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 70 S 7.90 4.08 0.00 3.97 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 71 G 7.96 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 72 Y 7.37 4.41 0.00 2.95 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 73 F 7.93 5.65 0.00 3.09 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 74 L 9.23 4.64 0.00 1.82 1.49 -0.14 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 75 T 9.38 5.24 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 1.33 0.00 0.00 76 A 8.76 4.99 1.25 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 77 T 8.71 4.37 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 1.23 0.00 0.00 78 K 7.46 4.62 0.00 1.45 1.50 0.00 1.37 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.31 7.81 79 E 8.67 4.20 0.00 2.06 1.88 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 2.32 2.40 0.00 80 N 9.36 4.27 0.00 2.85 2.88 0.00 0.00 6.98 8.48 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 81 H 7.76 5.09 0.00 3.28 3.19 0.00 5.87 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.39 4.33 1.92 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 1.40 0.97 0.97 0.00 0.00 83 V 8.77 4.60 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 0.91 0.00 0.00 0.93 0.00 0.00 84 S 8.74 5.08 0.00 4.04 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 85 T 8.89 5.57 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 1.57 0.00 0.00 86 P 0.00 4.67 0.00 2.06 2.18 0.00 4.02 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 2.09 1.99 0.00 87 Q 7.94 4.07 0.00 1.70 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 88 I 7.63 4.51 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 1.12 0.00 0.00 89 S 8.59 4.41 0.00 3.95 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 90 P 0.00 4.49 0.00 2.21 2.20 0.00 3.95 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 91 T 7.66 4.28 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 92 D 8.05 4.45 0.00 2.76 2.69 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 93 P 0.00 4.25 0.00 2.15 2.22 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.91 0.00 94 S 8.51 4.16 0.00 4.15 4.07 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 95 A 7.86 4.83 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 0.00 0.00 0.00 0.00 0.00 96 R 7.57 4.92 0.00 1.73 1.72 0.00 3.00 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 97 W 9.13 5.65 0.00 3.24 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 T 9.23 5.02 4.31 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 1.23 0.00 0.00 99 I 8.39 4.83 0.92 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.43 -0.80 0.00 0.00 100 K 8.80 4.84 0.00 1.73 1.70 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.44 7.81 101 P 0.00 4.06 0.00 1.89 1.77 0.00 3.78 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 2.24 2.17 0.00 102 A 8.71 4.20 1.03 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 0.00 103 T 7.43 4.58 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 1.12 0.00 0.00 104 T 8.04 4.11 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 *107 Y 7.74 4.32 0.00 3.06 3.29 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 0.00 108 E 7.66 4.71 0.00 2.20 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 0.00 2.18 2.39 0.00 109 V 7.12 4.45 1.75 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 0.43 0.00 0.00 0.74 0.00 0.00 110 F 9.26 5.36 0.00 3.08 2.86 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 0.00 111 T 8.89 5.14 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 1.27 0.00 0.00 112 I 8.35 4.82 1.36 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.38 0.00 0.00 113 N 9.26 5.39 0.00 2.67 2.76 0.00 0.00 6.41 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 9.11 3.84 0.00 2.26 2.59 0.00 0.00 7.19 6.25 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 0.00 115 K 8.33 3.90 0.00 1.63 1.85 0.00 1.90 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.31 7.81 116 V 8.11 3.82 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 0.94 0.00 0.00 0.86 0.00 0.00 117 S 8.55 4.06 0.00 4.02 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 0.00 118 E 8.06 3.99 0.00 1.93 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 0.00 2.28 2.33 0.00 119 L 7.88 4.15 0.00 1.68 1.65 0.82 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.12 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 0.00 0.00 0.00 121 Q 8.89 5.27 0.00 2.30 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 122 L 8.90 4.63 0.00 1.24 1.33 -0.34 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 123 T 9.08 4.99 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 1.11 0.00 0.00 124 V 8.65 4.17 1.94 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 0.95 0.00 0.00 0.77 0.00 0.00 125 K 8.98 3.77 0.00 1.88 1.77 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.44 7.81 126 D 9.28 4.64 0.00 2.91 2.81 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 0.00 127 Y 7.45 3.54 0.00 3.01 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 0.00 128 S 7.93 4.30 0.00 3.91 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 0.00 129 T 8.54 4.49 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 1.19 0.00 0.00 130 H 7.80 4.87 0.00 3.12 3.22 0.00 5.86 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 0.00 131 S 8.34 4.01 0.00 3.62 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 0.00 132 G 9.18 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 0.00 0.00 0.00 133 A 7.81 4.45 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 0.00 134 D 8.82 4.68 0.00 2.65 2.65 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 0.00 135 V 8.49 4.72 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 1.05 0.00 0.00 1.09 0.00 0.00 136 L 9.29 5.17 0.00 1.62 1.67 0.93 0.70 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 0.00 137 S 8.70 5.28 0.00 4.13 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 0.00 138 A 9.11 5.33 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 0.00 139 S 9.12 4.47 0.00 3.89 3.91 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 0.00 140 A 8.57 4.57 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 0.00 141 K 8.92 4.56 0.00 1.82 1.81 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.56 7.81 142 T 7.94 3.36 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 1.20 0.00 0.00 143 A 7.82 4.71 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 0.00 144 D 8.63 4.35 0.00 2.87 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 0.00 145 N 8.13 4.52 0.00 2.57 2.95 0.00 0.00 6.10 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 0.00 146 Q 7.69 5.21 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.04 0.00 147 K 7.33 4.80 0.00 1.41 1.16 0.00 0.85 0.00 0.00 0.86 0.00 0.00 2.60 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.06 1.27 7.81 148 W 9.03 5.50 0.00 3.19 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 0.00 149 Y 9.29 5.32 0.00 2.95 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 0.00 150 F 9.25 5.01 0.00 2.75 2.64 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 0.00 151 D 9.25 5.20 0.00 2.70 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 0.00 152 A 8.92 4.29 1.18 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 0.00 0.00 0.00 153 K 8.51 4.16 0.00 1.65 1.67 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.70 7.81 * Residues marked with a * may have inaccurate shift predictions.