NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8607 8.2833 119.1712 53.0346 40.2167 175.3156 2 L 4.1491 8.4731 125.0620 57.3769 41.6437 178.5293 3 L 4.0444 9.4301 120.9180 57.4374 41.8423 179.2147 4 Q 4.0262 7.9719 117.8366 58.9301 28.6849 178.1115 5 F 4.4323 8.3479 121.1553 61.7192 39.2054 176.7180 6 N 4.0359 8.2828 115.0389 55.8501 38.3903 177.1377 7 K 4.1142 7.8685 120.8637 59.7416 32.3245 178.7254 8 M 4.0742 8.3320 119.3411 58.6139 31.9322 178.5695 9 I 3.5299 7.8158 120.1339 64.5127 37.1289 178.3450 10 K 4.8525 7.6824 121.6133 58.7333 31.8499 178.1565 *12 E 4.2495 7.9827 117.7715 55.6268 31.3670 175.8181 13 E 4.3947 8.3655 117.2731 57.3745 30.4474 176.8854 14 T 4.2319 7.8804 106.7610 60.6492 70.0247 175.6506 15 G 3.7622 8.2468 109.7175 45.6620 0.0000 172.7375 16 K 4.2460 7.8696 120.9694 54.2136 34.6399 174.1337 17 N 5.2524 8.3740 117.3302 50.9773 40.9752 174.5542 18 A 4.1800 8.6807 126.5685 55.1212 18.5291 176.9614 19 I 4.7053 7.5304 115.2625 59.1623 38.7885 174.1307 20 P 4.4525 0.0000 0.0000 65.9054 31.9976 179.4143 21 F 4.3937 6.3344 115.6533 61.3694 39.1297 175.9420 22 Y 4.6103 8.6212 115.4825 57.0076 40.5751 176.0524 23 A 3.7758 7.8183 123.5539 54.5865 18.5218 177.6740 24 F 5.1802 7.3307 114.4405 56.3824 42.5155 172.9619 25 Y 5.0880 8.6524 125.6247 56.9396 42.7303 175.4066 26 G 3.4304 7.1305 114.6053 47.3990 0.0000 173.5828 27 C 4.9505 10.7192 121.8911 56.5281 38.5162 174.6101 28 Y 4.5994 8.2660 116.9213 57.1273 40.0411 175.4981 29 C 4.6823 7.9358 115.5178 57.9816 40.8199 175.0463 30 G 4.1816 7.5447 111.5935 45.2580 0.0000 172.7794 31 G 4.0683 8.7790 108.7650 45.5549 0.0000 176.5307 32 G 3.7258 9.5658 118.7131 44.5673 0.0000 173.9574 33 G 3.6520 9.0075 111.1521 45.0205 0.0000 171.4245 34 N 4.9550 7.1451 114.4847 53.6920 43.0738 175.0394 35 G 4.0729 8.3677 104.2696 44.3981 0.0000 173.8734 36 K 4.6440 8.1689 124.5582 53.4013 34.6996 173.7548 37 P 4.3500 0.0000 0.0000 62.8560 31.7996 176.2241 38 K 3.7506 8.8785 123.4463 58.7615 32.5754 175.6939 39 D 4.3670 7.6276 115.5788 51.7112 41.6808 175.6719 40 G 4.1663 8.9457 106.3856 48.3045 0.0000 175.0502 41 T 4.2022 7.9678 117.7304 66.3055 68.5691 176.0406 42 D 4.5337 8.5145 119.5822 57.3943 41.1039 178.2357 43 R 3.9706 8.7515 119.7777 59.3410 29.9059 177.9478 44 C 4.1143 8.1460 116.5291 60.1929 38.4315 175.3808 45 C 4.3789 8.3839 117.5827 59.9410 38.1488 175.4978 46 F 3.9251 8.3903 122.2671 61.4429 38.8821 177.1941 47 V 2.9867 7.8162 117.6642 66.0847 31.2561 177.4445 48 H 3.7497 8.1965 117.9649 59.2743 29.7039 176.8689 49 D 4.2112 8.5649 121.0285 57.6310 40.4313 178.2355 50 C 4.0920 7.7366 116.2208 59.9731 35.9316 174.9227 51 C 4.1710 8.2247 120.3008 59.9125 38.8171 174.9663 52 Y 4.4058 7.8664 118.1054 61.3774 37.3542 178.9890 53 G 3.8926 7.7866 104.9210 48.3679 0.0000 175.5099 54 R 4.0632 7.7950 118.7547 57.6370 31.3726 177.6956 55 L 4.5269 7.8383 120.7287 53.0267 40.3857 176.6521 56 V 3.6124 7.4711 114.9496 64.5216 32.4349 178.1334 *59 N 4.7591 7.8694 114.9953 53.1778 40.1361 174.1541 *61 C 5.3216 7.8510 114.0644 57.2765 40.2512 172.8614 *67 N 4.5750 8.4695 120.5967 53.0383 38.6112 174.1549 68 T 3.5201 7.8818 112.1302 63.5882 69.0482 176.1642 69 K 4.2580 7.9596 119.9702 57.9939 33.7238 178.3323 70 S 4.2426 9.1030 115.5670 60.1228 63.8146 174.1652 71 D 4.2561 7.5485 117.4989 54.9452 41.1690 176.1462 72 I 4.2486 8.1327 126.9539 60.2179 38.5567 174.2631 73 Y 4.9580 8.3806 121.4093 55.1389 41.3661 174.3849 74 S 5.0497 8.6849 114.9006 57.2670 64.9408 172.7471 75 Y 5.3657 8.3875 120.7907 56.3914 41.2470 173.6324 76 S 4.4950 8.9526 115.3346 58.0650 67.4179 173.3817 77 L 5.0074 8.0393 113.9044 56.0517 43.3208 173.5233 78 K 4.2757 7.9437 123.3237 56.3625 34.1631 176.3644 79 E 3.8000 9.7095 124.3263 57.6508 26.7800 176.1799 80 G 3.8781 8.0308 104.8244 46.0720 0.0000 172.0995 81 Y 4.4817 8.6986 123.4585 55.8134 40.4627 174.6164 82 I 4.3830 7.9044 128.3513 61.4567 37.9025 175.3880 83 T 4.6867 8.4490 123.1857 62.1540 70.9116 173.1481 84 C 5.1322 8.7053 123.0823 55.3801 41.8516 174.8221 85 G 3.9450 8.9314 114.1207 45.6851 0.0000 172.9529 86 K 4.5237 8.6356 119.1989 56.1258 34.9669 176.8923 *88 G 4.3390 8.1660 106.7402 45.9450 0.0000 174.2038 89 T 4.6547 8.2333 113.6159 59.1786 72.3619 174.4659 90 N 4.3221 8.6191 120.8792 57.3874 38.8597 177.5675 91 C 4.2905 8.1672 116.9077 60.2508 36.7427 175.9603 92 E 4.0077 7.6807 119.5416 59.3185 28.9319 179.3779 93 E 3.8404 9.1007 119.7688 59.7051 29.6335 178.7943 94 Q 3.8989 8.6435 118.6082 59.4538 28.7483 179.2754 95 I 3.6789 8.0912 120.4185 64.8060 37.2089 177.4906 96 C 2.9937 7.6758 118.7088 59.5299 41.6134 175.5557 97 E 3.5977 8.1491 120.0468 59.3960 28.6649 178.9728 98 C 4.1903 7.9691 116.7015 59.8430 39.2178 175.5809 99 D 3.4789 7.9759 120.8192 57.1683 40.3688 179.1791 100 R 3.7977 7.8696 116.6172 59.2995 29.2746 178.8919 101 V 3.4105 7.2248 117.8768 65.4840 31.3845 177.8926 102 A 3.4505 7.5289 120.1758 54.7669 18.2605 179.1126 103 A 4.0617 8.3689 119.4276 55.6965 18.3971 179.5834 104 E 3.8145 8.4293 117.8100 59.3780 29.4941 177.9298 105 C 4.0541 7.7491 117.8606 59.7531 43.8681 175.3596 106 F 4.4800 8.0139 119.5230 60.6935 38.1425 177.6214 107 R 3.9778 7.8145 117.9264 59.3873 29.6426 178.2189 108 R 3.9729 7.9927 115.8414 57.4702 30.4422 177.1837 109 N 4.9308 8.0017 115.2844 52.8946 39.9476 176.3842 110 L 4.0402 7.5409 121.5548 57.9911 41.5894 178.6400 111 D 4.7704 8.1264 116.4995 55.2806 39.2631 176.7838 112 T 4.7359 8.2438 109.0974 61.4554 70.1570 173.2610 113 Y 4.0844 8.1739 123.3383 58.3933 39.3286 174.6824 114 N 5.1622 10.0179 125.8480 51.6587 40.5143 174.3799 115 N 4.5171 9.2944 124.5668 56.5863 38.8149 177.7052 116 G 3.8571 8.0293 105.1581 48.4279 0.0000 173.5040 117 Y 4.5498 7.6801 116.4413 58.5610 38.3129 175.1654 118 M 4.0767 7.9655 121.1908 56.3555 32.6867 175.5434 119 F 3.8329 8.1160 123.4011 58.5550 37.2705 175.1532 120 Y 4.1966 8.1538 121.5206 56.8625 38.5731 174.9591 121 R 3.8495 8.3165 126.1604 57.2139 30.6304 177.2048 122 D 4.6222 8.6158 120.4838 55.9877 41.4470 178.1969 *124 S 4.4300 7.9086 113.0153 58.2104 64.6890 175.2317 125 K 4.0955 7.4514 117.3024 58.4028 32.3899 176.6957 126 C 4.7390 7.5822 119.2131 56.3573 39.2278 176.0977 127 T 4.2878 7.3076 112.1490 60.1537 67.3248 173.5707 128 E 4.7896 7.4455 126.7151 55.5151 35.4436 174.9078 129 T 4.2998 8.4787 117.7858 63.3849 68.8569 175.0016 130 S 4.3908 8.8961 122.1720 59.1340 63.3357 174.6346 131 E 3.9872 9.3622 126.0706 55.8310 30.0363 175.7924 132 E 4.4805 8.4037 125.4991 55.4223 30.9145 176.8605 133 C 4.4669 8.7368 120.6368 57.3736 41.3283 173.6439 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 N 8.28 4.86 0.00 2.75 2.65 0.00 0.00 7.08 5.78 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 2 L 8.47 4.15 0.00 1.81 1.83 1.04 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.43 4.04 0.00 1.77 1.73 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 7.97 4.03 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 5 F 8.35 4.43 0.00 3.42 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.28 4.04 0.00 2.92 2.82 0.00 0.00 7.03 8.44 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 7 K 7.87 4.11 0.00 2.13 1.94 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.55 7.81 8 M 8.33 4.07 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.32 0.00 9 I 7.82 3.53 1.75 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.32 0.38 0.00 0.00 10 K 7.68 4.85 0.00 1.82 2.01 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.18 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.35 7.81 *12 E 7.98 4.25 0.00 2.22 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 0.00 2.25 2.37 0.00 13 E 8.37 4.39 0.00 1.98 1.97 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 2.45 2.36 0.00 14 T 7.88 4.23 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 1.24 0.00 0.00 15 G 8.25 3.76 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 0.00 0.00 0.00 16 K 7.87 4.25 0.00 1.62 1.54 0.00 0.64 0.00 0.00 1.19 0.00 0.00 2.66 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 N 8.37 5.25 0.00 3.00 2.77 0.00 0.00 6.77 7.35 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 18 A 8.68 4.18 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 19 I 7.53 4.71 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.55 0.96 0.00 0.00 20 P 0.00 4.45 0.00 2.17 2.55 0.00 3.41 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.86 0.00 21 F 6.33 4.39 0.00 3.07 2.29 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 22 Y 8.62 4.61 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.78 0.30 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 24 F 7.33 5.18 0.00 3.13 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 Y 8.65 5.09 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.13 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 10.72 4.95 0.00 2.63 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 28 Y 8.27 4.60 0.00 3.38 3.32 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 29 C 7.94 4.68 0.00 3.45 3.41 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 30 G 7.54 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 0.00 0.00 0.00 0.00 31 G 8.78 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 0.00 0.00 0.00 32 G 9.57 3.73 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 0.00 0.00 0.00 33 G 9.01 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 0.00 0.00 0.00 34 N 7.15 4.95 0.00 2.63 2.69 0.00 0.00 7.56 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 35 G 8.37 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 0.00 0.00 0.00 36 K 8.17 4.64 0.00 1.62 1.62 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.30 7.81 37 P 0.00 4.35 0.00 1.96 1.95 0.00 3.58 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 38 K 8.88 3.75 0.00 1.36 0.80 0.00 1.20 0.00 0.00 0.65 0.00 0.00 3.05 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.30 0.33 7.81 39 D 7.63 4.37 0.00 2.89 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 40 G 8.95 4.17 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 0.00 0.00 0.00 41 T 7.97 4.20 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 0.86 0.00 0.00 42 D 8.51 4.53 0.00 2.98 2.92 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 43 R 8.75 3.97 0.00 2.05 2.07 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 44 C 8.15 4.11 0.00 2.99 2.36 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 45 C 8.38 4.38 0.00 3.38 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 46 F 8.39 3.93 0.00 2.54 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 47 V 7.82 2.99 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 0.73 0.00 0.00 0.91 0.00 0.00 48 H 8.20 3.75 0.00 3.07 3.31 0.00 5.65 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 49 D 8.56 4.21 0.00 2.83 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 50 C 7.74 4.09 0.00 2.56 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 51 C 8.22 4.17 0.00 2.84 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 52 Y 7.87 4.41 0.00 2.93 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 53 G 7.79 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.79 4.06 0.00 1.98 1.99 0.00 3.08 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 55 L 7.84 4.53 0.00 1.57 1.58 0.89 0.86 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 56 V 7.47 3.61 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 0.94 0.00 0.00 *59 N 7.87 4.76 0.00 2.79 2.85 0.00 0.00 7.59 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 *61 C 7.85 5.32 0.00 2.91 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 *67 N 8.47 4.58 0.00 2.71 2.72 0.00 0.00 7.40 7.22 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 68 T 7.88 3.52 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 0.75 0.00 0.00 69 K 7.96 4.26 0.00 2.03 2.17 0.00 1.57 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.51 7.81 70 S 9.10 4.24 0.00 3.93 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 71 D 7.55 4.26 0.00 2.71 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 72 I 8.13 4.25 1.82 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 1.58 0.66 0.84 0.00 0.00 73 Y 8.38 4.96 0.00 2.96 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 74 S 8.68 5.05 0.00 3.99 4.09 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 75 Y 8.39 5.37 0.00 3.15 3.08 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 76 S 8.95 4.50 0.00 3.77 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 77 L 8.04 5.01 0.00 1.63 1.59 1.24 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.94 4.28 0.00 1.86 1.71 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 1.47 7.81 79 E 9.71 3.80 0.00 2.08 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 2.26 2.37 0.00 80 G 8.03 3.88 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 0.00 0.00 0.00 81 Y 8.70 4.48 0.00 2.98 2.96 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 0.00 0.00 0.00 82 I 7.90 4.38 1.66 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.64 0.88 0.00 0.00 83 T 8.45 4.69 4.34 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 1.29 0.00 0.00 84 C 8.71 5.13 0.00 2.80 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 85 G 8.93 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.64 4.52 0.00 2.00 1.97 0.00 1.44 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.59 7.81 *88 G 8.17 4.34 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 0.00 89 T 8.23 4.65 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 90 N 8.62 4.32 0.00 2.76 2.88 0.00 0.00 6.98 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 91 C 8.17 4.29 0.00 3.00 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 92 E 7.68 4.01 0.00 2.36 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 2.54 2.66 0.00 93 E 9.10 3.84 0.00 2.13 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 0.00 2.32 2.35 0.00 94 Q 8.64 3.90 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 95 I 8.09 3.68 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.94 0.94 0.00 0.00 96 C 7.68 2.99 0.00 2.16 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 97 E 8.15 3.60 0.00 2.08 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 2.24 2.42 0.00 98 C 7.97 4.19 0.00 3.18 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 99 D 7.98 3.48 0.00 2.68 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 0.00 100 R 7.87 3.80 0.00 1.84 2.01 0.00 2.64 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 101 V 7.22 3.41 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 0.94 0.00 0.00 0.88 0.00 0.00 102 A 7.53 3.45 1.02 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 0.00 0.00 103 A 8.37 4.06 1.46 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 0.00 0.00 104 E 8.43 3.81 0.00 1.95 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 2.23 2.28 0.00 105 C 7.75 4.05 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 4.48 0.00 3.00 2.75 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 0.00 107 R 7.81 3.98 0.00 1.86 2.11 0.00 3.09 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 108 R 7.99 3.97 0.00 2.03 1.96 0.00 3.42 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 109 N 8.00 4.93 0.00 2.95 2.91 0.00 0.00 6.82 6.15 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 0.00 110 L 7.54 4.04 0.00 1.85 1.78 0.91 0.98 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 0.00 111 D 8.13 4.77 0.00 2.85 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 0.00 112 T 8.24 4.74 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 0.00 113 Y 8.17 4.08 0.00 3.10 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 0.00 114 N 10.02 5.16 0.00 2.88 2.79 0.00 0.00 6.99 6.59 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 0.00 115 N 9.29 4.52 0.00 2.86 2.97 0.00 0.00 6.93 7.95 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 0.00 116 G 8.03 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 0.00 0.00 0.00 117 Y 7.68 4.55 0.00 2.20 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 0.00 0.00 0.00 118 M 7.97 4.08 0.00 1.62 1.94 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 2.31 1.07 0.00 119 F 8.12 3.83 0.00 3.22 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 0.00 120 Y 8.15 4.20 0.00 2.98 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 0.00 121 R 8.32 3.85 0.00 1.62 1.71 0.00 3.07 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 122 D 8.62 4.62 0.00 2.80 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 *124 S 7.91 4.43 0.00 3.97 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 0.00 125 K 7.45 4.10 0.00 1.59 1.84 0.00 1.31 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.16 7.81 126 C 7.58 4.74 0.00 3.06 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 0.00 127 T 7.31 4.29 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 1.31 0.00 0.00 128 E 7.45 4.79 0.00 1.85 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 2.30 2.27 0.00 129 T 8.48 4.30 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 0.00 130 S 8.90 4.39 0.00 3.81 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 0.00 131 E 9.36 3.99 0.00 1.51 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 1.47 2.08 0.00 132 E 8.40 4.48 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 133 C 8.74 4.47 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.