NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.6941 8.1833 122.8219 58.1307 41.2675 177.0607 4 L 3.2806 7.8029 119.1902 56.6997 41.5649 176.8121 5 R 4.3227 7.8305 116.6746 58.2503 31.2244 176.9358 6 S 4.3461 7.5006 110.8541 58.2230 63.4585 174.5441 7 L 3.4905 7.4053 121.8578 55.3209 41.6382 176.2064 8 D 4.6530 7.9986 123.2464 52.5428 41.4806 174.6182 9 W 4.9130 8.5011 125.3658 55.9365 30.6141 175.8479 10 T 4.6150 8.9738 122.2492 61.7051 70.0051 174.0995 11 Q 3.9517 8.8543 128.3725 56.1145 29.5543 175.4181 12 V 4.0847 8.0921 118.8960 62.6853 33.1946 176.0638 13 I 4.2881 7.1229 116.6120 58.8269 40.7270 172.8628 14 A 3.8850 8.4001 127.0897 53.9595 18.1400 178.2848 15 G 3.9717 8.4617 111.6584 45.6654 0.0000 172.1976 16 Q 4.9539 8.1908 119.2788 54.1009 32.2399 174.1251 17 Y 5.2406 8.9818 121.1557 56.1014 42.0372 174.7477 18 V 5.2416 8.8886 121.5248 61.3012 35.0117 174.5212 19 S 4.8190 9.1623 120.3858 55.9313 66.3980 173.2831 20 N 5.0620 7.9666 116.1212 51.6411 38.8146 172.2979 21 P 4.5756 0.0000 0.0000 62.5400 32.9932 176.4236 22 R 4.8065 8.4222 117.9392 54.8056 31.9749 175.0767 23 F 4.7718 8.1380 117.4050 55.7872 41.5928 172.8109 24 N 4.5095 8.7429 117.4476 52.9779 39.0621 175.9177 25 I 3.8228 8.6153 126.0767 64.8460 37.1010 178.2979 26 S 4.5393 7.9317 113.3050 60.5358 62.8895 175.5270 27 D 4.3524 8.0650 122.0802 56.4836 40.7275 176.2223 28 Y 4.1390 7.9648 114.2286 57.0597 40.8075 175.3914 29 F 5.4652 8.6494 117.4869 55.4867 43.6808 173.5591 30 E 4.5671 9.4721 123.2952 55.5788 31.1971 174.9221 31 I 4.6634 8.3980 127.3647 60.1115 38.9082 175.5840 32 V 4.1891 8.9175 128.9230 60.9736 31.9463 174.8769 33 R 4.5019 8.5539 126.5337 56.4919 30.5547 176.3358 34 Q 4.7040 8.8656 121.5489 52.9515 31.9384 173.9344 35 P 4.2714 0.0000 0.0000 63.4470 31.7603 176.8406 36 G 4.3164 8.5016 110.5250 46.1034 0.0000 173.4528 37 D 4.8106 7.5343 121.1887 51.7639 41.7086 176.2929 38 G 4.6710 8.9915 107.7144 46.3063 0.0000 173.9273 39 N 5.0406 8.4944 116.8750 52.8157 39.2265 176.0542 40 C 3.9944 8.2225 116.7127 61.6694 29.1411 175.6998 41 F 3.6006 8.0401 122.1869 61.3070 38.9039 176.6418 42 Y 4.0164 7.6569 115.6444 60.9541 37.7148 177.6304 43 H 4.2558 8.5154 117.7858 58.9434 28.5910 177.9441 44 S 4.0605 8.0084 115.8708 61.6194 63.0179 176.2729 45 I 3.6411 7.2301 122.1209 64.4846 36.7868 178.0107 46 A 4.0475 8.0925 121.2745 55.4890 17.9776 179.0400 47 E 3.8730 8.3456 116.6727 59.1519 29.7121 178.2573 48 L 4.5351 7.7960 116.1865 55.0112 42.4106 177.0563 49 T 4.4853 7.8151 107.3298 61.5066 70.8916 174.0468 50 M 4.6702 8.0612 121.9218 52.4438 33.8352 174.1519 51 P 4.3512 0.0000 0.0000 63.5072 32.4935 175.5610 52 N 4.1509 8.6592 115.9817 54.2221 36.1159 174.8574 53 K 4.2105 7.8064 117.2289 56.5441 33.5703 175.1685 54 T 4.7899 8.7667 114.0989 59.8817 71.9215 174.1167 55 D 4.6929 8.7366 119.3816 56.3083 40.7341 176.8188 56 H 4.9566 8.1822 116.1334 55.8258 30.3396 176.6421 57 S 4.2161 8.1504 116.8795 61.4137 62.4934 175.8746 58 Y 4.2758 8.1816 120.1118 60.1932 37.5720 177.7919 59 H 3.7670 6.9482 118.4418 58.9769 28.6659 176.9206 60 Y 4.2127 7.9679 120.9507 60.7191 38.5513 177.8699 61 I 3.6064 7.7987 120.3414 64.3279 37.1981 178.4220 62 K 3.7360 7.9680 119.3859 59.0807 31.7451 179.4629 63 R 3.8003 7.7580 119.2367 59.4050 29.9519 178.6472 64 L 3.9174 7.7719 118.7677 57.7847 41.4008 179.6912 65 T 3.9456 8.0860 116.2704 66.4181 68.4743 176.1301 66 E 3.9035 8.3035 121.3767 59.5738 29.2574 178.6979 67 S 4.0567 8.1782 112.7270 61.3891 62.3358 176.1479 68 A 4.0655 8.2851 123.2484 55.1852 18.2240 179.3286 69 A 4.1201 8.3900 119.6424 55.6557 18.2525 179.9963 70 R 3.9978 7.7749 115.0983 59.0069 30.1419 178.6318 71 K 4.1079 7.2116 116.2915 57.1472 32.8240 176.9352 72 Y 5.0682 7.6780 114.5398 57.9429 40.7233 177.1328 73 Y 4.0411 8.7915 121.7980 60.7191 38.9347 178.3802 74 Q 3.9530 8.1990 116.7888 58.3461 28.9278 176.9020 75 E 4.2839 7.7101 115.0156 56.5881 30.5211 176.1531 76 E 4.0303 7.6942 120.2279 55.4435 29.9144 175.9892 77 P 4.1966 0.0000 0.0000 65.5915 31.5272 178.1063 78 E 4.0249 8.0818 116.8679 58.4000 29.5788 178.2454 79 A 3.7970 7.5588 120.7706 55.0913 17.9680 179.6563 80 R 3.7157 7.4827 115.3341 59.0990 30.1001 178.7056 81 L 4.1867 7.5858 117.6701 56.8662 41.8728 179.2957 82 V 3.7777 7.5665 118.3430 65.8032 31.5745 178.1740 83 G 4.0807 8.8271 105.4193 45.7112 0.0000 173.9962 84 L 4.2338 7.4160 118.7798 54.4011 42.3393 177.5198 85 S 4.5473 8.4004 116.1024 57.8833 65.2850 174.8992 86 L 3.5473 8.5552 123.1498 58.3463 41.7472 178.9333 87 E 3.9223 8.0231 117.8253 59.6255 29.5101 178.9057 88 D 4.3801 7.9285 118.6200 57.2403 40.7234 178.2927 89 Y 3.9999 7.9496 120.2990 60.4717 38.7836 177.8196 90 L 3.5622 7.6186 119.6774 57.6902 41.5558 179.1999 91 K 3.7571 7.4718 117.6594 59.6938 32.3940 178.3244 92 R 4.0394 7.4620 119.7383 58.6535 29.8553 177.8921 93 M 3.8317 7.8757 117.6857 58.6189 32.0991 177.3530 94 L 4.0832 7.9514 116.2384 56.2639 41.7803 177.8385 95 S 4.1830 7.5243 115.5265 58.0856 63.3336 173.3106 96 D 4.5137 8.6217 122.6079 56.2250 41.3426 175.9286 97 N 4.3821 9.0908 121.6334 54.1220 36.1738 173.3697 98 E 4.5249 7.8130 118.9158 55.3264 30.3565 176.5312 99 W 4.6206 8.7846 125.5944 56.7489 29.6882 176.7874 100 G 3.3348 8.4236 112.5208 44.9140 0.0000 171.4783 101 S 4.3138 6.3176 111.8370 56.5632 66.0045 176.6718 102 T 3.5494 8.0968 110.0312 64.5613 68.1521 175.9259 103 L 3.7828 7.4904 123.3245 58.2054 42.0838 178.8076 104 E 3.9825 7.8867 117.6715 59.2022 29.4193 178.8117 105 A 3.9837 7.6789 120.8358 55.2912 18.4968 179.5239 106 S 3.8325 7.3208 111.3086 61.8224 62.4364 176.4191 107 M 4.0984 7.8129 121.0140 58.3340 31.6904 178.7330 108 L 4.0067 8.7647 119.6215 57.6932 41.7618 179.1400 109 A 4.0121 8.0770 120.7608 55.4465 17.8696 179.9584 110 K 3.8236 7.5076 115.5004 59.3964 31.8739 179.3509 111 E 4.1322 8.1666 119.0464 59.3219 29.6636 177.4088 112 M 4.2459 8.7730 116.1458 54.8220 32.5600 176.0435 113 G 3.9281 7.5730 106.7712 46.8508 0.0000 172.8447 114 I 4.6937 7.8106 110.9377 59.0410 41.3463 174.6795 115 T 4.8142 8.2701 117.9137 61.9573 71.0670 173.8819 116 I 4.9319 8.7967 126.1836 59.5406 40.6741 174.4869 117 I 4.7431 8.7674 127.2258 59.3947 40.5216 174.5289 118 I 4.7784 8.4880 127.4364 59.4770 39.9218 174.8509 119 W 5.1454 9.3270 129.2032 55.5879 30.4866 175.3680 120 T 4.8567 8.5512 121.1806 61.3289 68.2342 174.6549 121 V 4.5567 8.3194 123.6683 59.7282 34.5326 174.8976 *126 E 3.8707 8.4844 119.2277 56.1345 30.3453 176.2297 127 V 3.5552 7.2953 121.6260 63.4682 31.8624 175.7684 128 E 4.2305 8.6766 126.4565 57.7659 30.2701 176.0687 129 A 4.6056 7.0964 118.6326 51.6251 22.2686 175.3696 130 G 3.9118 8.7578 106.6262 44.2584 0.0000 172.1949 131 I 4.9189 8.3227 123.4775 59.0395 40.2594 174.2774 132 K 4.3902 8.9252 129.1545 54.4165 34.3407 174.7901 133 F 4.9445 9.2025 126.8016 59.4541 40.8535 174.4031 134 G 4.2556 8.2836 109.8898 44.3261 0.0000 172.3292 135 D 4.4864 8.4572 117.1532 53.7137 41.1757 177.1861 136 G 3.8122 7.9292 110.5205 44.6480 0.0000 172.5301 137 D 4.8009 7.6503 118.5142 50.7341 41.8020 177.7089 138 V 3.7353 8.2060 118.1312 64.7981 31.3122 178.5430 139 F 4.3572 7.4518 119.0668 59.6817 38.7898 175.9806 140 T 4.4273 7.9376 107.8869 61.3597 69.5833 174.4852 141 A 4.4624 7.3692 124.2047 51.4409 20.1469 177.8292 142 V 3.9395 8.6370 120.4437 62.2893 32.2621 174.6157 143 N 5.2671 8.7595 126.5400 52.3402 40.1045 174.4303 144 L 5.1760 9.3610 124.1411 52.8772 45.3720 175.2709 145 L 5.1307 8.8945 124.3547 53.8817 44.1397 174.4358 146 H 5.0568 9.3694 128.0629 54.6075 31.4956 173.7705 147 S 4.6545 8.3103 120.0208 57.1620 66.6769 174.9022 148 G 3.6364 9.2515 107.8093 45.6188 0.0000 173.7901 149 Q 3.4544 8.0193 115.2749 56.6177 26.4026 174.1046 150 T 4.1843 7.6064 103.5872 61.1849 70.7457 172.9250 151 H 4.5934 7.1775 121.3459 54.9028 33.5431 171.6536 152 F 5.3606 8.3657 122.8041 55.8679 41.6887 174.0906 153 D 5.1444 9.1486 121.7009 52.3846 45.3198 174.4268 154 A 4.8798 8.3908 120.5908 50.9380 20.9361 176.3049 155 L 5.3060 8.7024 120.5916 52.9855 44.7315 176.3571 156 R 4.9090 8.9845 121.5329 54.0941 33.5556 175.2016 157 I 4.0194 8.7999 124.7820 61.2291 37.8195 176.0166 158 L 4.1027 8.9705 127.5904 54.6384 42.3206 176.5065 159 P 4.4272 0.0000 0.0000 65.8805 31.4747 178.6834 160 Q 3.8017 7.9658 114.2074 58.3751 28.4212 176.8397 161 F 4.7554 7.8786 115.3098 57.3030 39.6978 175.6234 162 E 4.3136 8.2136 126.1612 56.6590 29.2525 176.4501 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 3 F 8.18 4.69 0.00 3.07 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 4 L 7.80 3.28 0.00 1.81 1.16 0.65 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.83 4.32 0.00 1.85 2.06 0.00 3.38 0.00 0.00 3.49 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.61 0.00 6 S 7.50 4.35 0.00 3.86 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 7 L 7.41 3.49 0.00 1.53 0.99 1.06 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.00 4.65 0.00 2.56 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 W 8.50 4.91 0.00 3.19 3.16 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 10 T 8.97 4.61 4.30 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 1.23 0.00 0.00 11 Q 8.85 3.95 0.00 1.71 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.86 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 12 V 8.09 4.08 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 0.74 0.00 0.00 0.87 0.00 0.00 13 I 7.12 4.29 1.81 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 1.29 1.35 0.84 0.00 0.00 14 A 8.40 3.89 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 15 G 8.46 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 16 Q 8.19 4.95 0.00 1.77 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 17 Y 8.98 5.24 0.00 2.56 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 18 V 8.89 5.24 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 1.14 0.00 0.00 0.92 0.00 0.00 19 S 9.16 4.82 0.00 3.08 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 20 N 7.97 5.06 0.00 2.66 2.77 0.00 0.00 6.99 8.02 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 21 P 0.00 4.58 0.00 2.50 1.98 0.00 3.96 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 2.42 2.22 0.00 22 R 8.42 4.81 0.00 1.75 1.91 0.00 3.28 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 23 F 8.14 4.77 0.00 2.97 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 24 N 8.74 4.51 0.00 2.86 2.78 0.00 0.00 6.77 7.47 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 25 I 8.62 3.82 1.83 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.94 0.00 0.00 26 S 7.93 4.54 0.00 4.04 4.03 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 27 D 8.06 4.35 0.00 2.74 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 0.00 0.00 0.00 0.00 28 Y 7.96 4.14 0.00 2.50 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 0.00 0.00 0.00 29 F 8.65 5.47 0.00 3.05 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 30 E 9.47 4.57 0.00 2.10 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 2.34 2.34 0.00 31 I 8.40 4.66 1.91 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 1.27 0.79 0.94 0.00 0.00 32 V 8.92 4.19 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 1.05 0.00 0.00 0.99 0.00 0.00 33 R 8.55 4.50 0.00 1.75 1.87 0.00 3.38 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 34 Q 8.87 4.70 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 35 P 0.00 4.27 0.00 2.24 1.92 0.00 3.35 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.99 0.00 36 G 8.50 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 0.00 0.00 0.00 0.00 37 D 7.53 4.81 0.00 3.09 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 38 G 8.99 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.49 5.04 0.00 2.10 2.12 0.00 0.00 6.70 6.94 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 40 C 8.22 3.99 0.00 3.23 3.35 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 41 F 8.04 3.60 0.00 2.50 2.42 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 42 Y 7.66 4.02 0.00 3.29 3.09 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 43 H 8.52 4.26 0.00 3.31 3.61 0.00 5.62 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 S 8.01 4.06 0.00 3.72 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 45 I 7.23 3.64 1.67 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.51 0.83 0.00 0.00 46 A 8.09 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 3.87 0.00 2.05 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 0.00 2.36 2.45 0.00 48 L 7.80 4.54 0.00 1.67 1.72 1.02 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.82 4.49 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 1.26 0.00 0.00 50 M 8.06 4.67 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 51 P 0.00 4.35 0.00 2.04 1.99 0.00 3.83 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 2.03 2.12 0.00 52 N 8.66 4.15 0.00 2.82 2.85 0.00 0.00 6.92 7.61 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 53 K 7.81 4.21 0.00 1.98 1.74 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.50 1.33 7.81 54 T 8.77 4.79 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 55 D 8.74 4.69 0.00 2.64 2.79 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 56 H 8.18 4.96 0.00 3.26 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.15 4.22 0.00 4.08 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 58 Y 8.18 4.28 0.00 3.26 3.13 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 0.00 0.00 0.00 0.00 59 H 6.95 3.77 0.00 2.95 3.22 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.97 4.21 0.00 3.03 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 61 I 7.80 3.61 2.17 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 1.75 0.92 1.10 0.00 0.00 62 K 7.97 3.74 0.00 1.78 1.58 0.00 1.38 0.00 0.00 1.46 0.00 0.00 2.66 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 1.16 7.81 63 R 7.76 3.80 0.00 1.87 1.99 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 64 L 7.77 3.92 0.00 1.73 1.59 0.64 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.09 3.95 4.47 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 0.00 0.00 0.00 1.42 0.00 0.00 66 E 8.30 3.90 0.00 1.97 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 2.28 2.30 0.00 67 S 8.18 4.06 0.00 3.91 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 68 A 8.29 4.07 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 0.00 0.00 0.00 0.00 0.00 69 A 8.39 4.12 1.51 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 70 R 7.77 4.00 0.00 1.92 1.98 0.00 3.13 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 71 K 7.21 4.11 0.00 0.79 1.01 0.00 1.36 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.20 1.24 7.81 72 Y 7.68 5.07 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 73 Y 8.79 4.04 0.00 2.94 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 Q 8.20 3.95 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.38 0.00 75 E 7.71 4.28 0.00 1.98 1.99 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 2.30 2.27 0.00 76 E 7.69 4.03 0.00 1.93 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 0.00 2.55 2.40 0.00 77 P 0.00 4.20 0.00 2.12 2.06 0.00 3.55 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 78 E 8.08 4.02 0.00 2.02 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 2.34 2.36 0.00 79 A 7.56 3.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.48 3.72 0.00 1.91 1.97 0.00 3.29 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 81 L 7.59 4.19 0.00 1.83 1.73 0.91 0.71 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 82 V 7.57 3.78 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 1.31 0.00 0.00 1.02 0.00 0.00 83 G 8.83 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 0.00 0.00 0.00 84 L 7.42 4.23 0.00 1.84 1.73 1.05 1.37 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 85 S 8.40 4.55 0.00 4.10 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 86 L 8.56 3.55 0.00 2.01 1.74 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.02 3.92 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 88 D 7.93 4.38 0.00 2.76 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 89 Y 7.95 4.00 0.00 2.95 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 90 L 7.62 3.56 0.00 1.84 1.59 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.47 3.76 0.00 1.70 1.95 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 92 R 7.46 4.04 0.00 1.82 1.90 0.00 3.22 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.44 0.00 93 M 7.88 3.83 0.00 1.53 1.02 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 94 L 7.95 4.08 0.00 1.59 1.63 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.52 4.18 0.00 4.02 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 96 D 8.62 4.51 0.00 2.67 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 97 N 9.09 4.38 0.00 3.03 2.99 0.00 0.00 6.79 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 98 E 7.81 4.52 0.00 1.97 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 2.50 2.43 0.00 99 W 8.78 4.62 0.00 3.33 3.13 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 0.00 0.00 0.00 0.00 100 G 8.42 3.33 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 0.00 101 S 6.32 4.31 0.00 3.92 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 0.00 102 T 8.10 3.55 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 1.46 0.00 0.00 103 L 7.49 3.78 0.00 1.68 1.66 0.82 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.89 3.98 0.00 1.82 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 2.61 2.66 0.00 105 A 7.68 3.98 0.93 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 0.00 106 S 7.32 3.83 0.00 3.69 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 0.00 107 M 7.81 4.10 0.00 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0.00 0.00 0.99 0.00 0.00 -0.13 0.00 0.00 128 E 8.68 4.23 0.00 2.15 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 2.29 2.15 0.00 129 A 7.10 4.61 1.32 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 0.00 0.00 0.00 130 G 8.76 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 0.00 0.00 0.00 131 I 8.32 4.92 1.80 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 1.07 0.79 0.37 0.00 0.00 132 K 8.93 4.39 0.00 0.79 0.89 0.00 0.89 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 0.80 7.81 133 F 9.20 4.94 0.00 2.88 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 0.00 134 G 8.28 4.26 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 0.00 135 D 8.46 4.49 0.00 2.62 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 0.00 136 G 7.93 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 0.00 137 D 7.65 4.80 0.00 2.76 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 0.00 138 V 8.21 3.74 2.33 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 0.19 0.00 0.00 1.19 0.00 0.00 139 F 7.45 4.36 0.00 3.29 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 0.00 140 T 7.94 4.43 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 1.33 0.00 0.00 141 A 7.37 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 0.00 142 V 8.64 3.94 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 0.97 0.00 0.00 0.94 0.00 0.00 143 N 8.76 5.27 0.00 2.82 2.84 0.00 0.00 6.90 6.74 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 0.00 144 L 9.36 5.18 0.00 1.81 1.78 0.83 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.89 5.13 0.00 1.76 1.56 0.99 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 146 H 9.37 5.06 0.00 3.10 3.10 0.00 5.77 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.31 4.65 0.00 3.77 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 0.00 148 G 9.25 3.64 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 0.00 0.00 0.00 149 Q 8.02 3.45 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 150 T 7.61 4.18 4.11 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 1.44 0.00 0.00 151 H 7.18 4.59 0.00 3.04 3.05 0.00 5.80 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 0.00 152 F 8.37 5.36 0.00 2.84 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 0.00 153 D 9.15 5.14 0.00 2.59 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 0.00 154 A 8.39 4.88 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 0.00 155 L 8.70 5.31 0.00 1.50 1.29 0.62 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.98 4.91 0.00 1.85 1.91 0.00 3.21 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 157 I 8.80 4.02 1.99 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 0.98 0.69 0.99 0.00 0.00 158 L 8.97 4.10 0.00 1.93 1.93 1.06 1.00 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 0.00 159 P 0.00 4.43 0.00 2.16 2.13 0.00 3.64 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 2.14 2.13 0.00 160 Q 7.97 3.80 0.00 1.75 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.87 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.00 161 F 7.88 4.76 0.00 3.23 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 0.00 162 E 8.21 4.31 0.00 2.18 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 2.47 2.56 0.00 * Residues marked with a * may have inaccurate shift predictions.