NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4858 8.3349 117.0990 57.8488 64.8974 174.3969 -1 N 4.2491 8.0036 116.5582 52.4868 38.8163 173.1961 0 A 4.0459 8.6857 127.0737 52.2411 20.1312 176.5259 0 A 4.0459 8.6857 127.0737 52.2411 20.1312 176.5259 3 T 4.7994 7.5702 103.0305 59.7267 71.9271 173.2394 4 N 4.8026 8.5775 121.0237 51.2908 39.4626 175.8511 5 L 3.9566 7.6545 115.2766 57.7851 41.5383 178.6037 6 I 3.9555 7.7713 109.2360 61.1536 37.9780 176.4267 7 G 3.8849 8.4703 109.9243 45.5298 0.0000 173.4708 8 L 4.5063 7.9051 119.9483 52.7540 43.6282 175.4459 9 D 4.7452 8.2946 119.2239 54.5050 42.5359 176.8360 10 T 3.8432 8.4678 123.8567 67.1202 68.6757 176.8387 11 T 3.8539 7.9001 116.9823 66.9566 68.5717 176.6048 12 Q 4.0349 8.8113 120.2248 59.0346 28.7090 179.0196 13 S 4.1748 8.1793 116.3208 61.6158 62.7625 176.7507 14 Q 4.0829 8.3861 121.0927 58.6039 28.5481 178.5815 15 K 3.9173 8.0687 120.7690 59.5016 32.1795 178.8318 16 L 3.9844 7.9994 119.0030 57.8001 41.4626 179.2966 17 A 3.9851 8.5387 121.0398 55.2212 18.2682 179.1937 18 N 4.2394 8.5023 115.4702 56.8020 39.0361 177.0513 19 A 4.0450 7.9749 121.8332 55.1245 18.4257 179.6332 20 L 4.0266 8.3172 117.8743 57.9676 41.4384 179.5226 21 N 4.4664 8.6027 116.9283 56.3684 38.5703 177.2227 22 N 4.4142 8.2756 118.0279 56.0189 38.5143 177.1650 23 L 4.1074 8.1517 121.8317 58.2055 42.2103 178.6589 24 L 3.9655 8.4301 120.4252 58.1891 42.0541 178.7347 25 A 3.9120 8.2744 120.5719 55.2839 18.3308 179.3817 26 N 4.2198 8.0965 114.5990 56.6796 38.6482 177.0502 27 Y 3.9492 8.3370 118.4427 61.3743 37.7593 179.0953 28 Q 3.9223 7.8892 117.5539 58.9167 28.8010 178.6659 29 V 3.6737 7.4209 117.9824 65.7591 31.7646 177.5394 30 F 4.4548 8.3388 120.5644 61.3487 39.0856 176.8657 31 Y 3.9711 8.2391 116.1376 58.6900 38.5089 177.3169 *33 N 4.1318 8.0692 117.0550 53.0177 40.7373 177.0058 34 T 2.8549 7.0019 114.6882 65.9727 68.2593 177.0291 35 R 2.8980 7.1053 120.4316 58.6396 29.8062 179.1610 36 G 3.4866 7.1143 104.7463 48.0358 0.0000 174.9535 37 Y 4.0948 7.2534 119.5246 60.8901 37.4654 178.3990 38 H 4.4139 7.7030 117.9268 59.3232 30.1141 177.1424 39 W 4.6073 7.8703 119.2982 59.3134 29.1380 177.4619 40 N 4.8278 8.4597 114.4116 52.2097 38.7394 174.9922 41 I 4.0289 7.1179 121.7402 61.4202 38.5687 174.6117 42 Q 4.6068 8.6060 123.8535 55.3360 32.0548 175.0448 43 G 3.8458 8.5159 104.9439 44.4796 0.0000 173.8939 44 K 4.1814 8.3675 116.4898 58.4063 32.2527 177.7232 45 E 4.3917 8.1510 117.8912 56.6472 30.0264 177.8315 46 F 3.9141 8.4615 122.7274 61.5644 39.4223 177.1099 47 F 4.2907 7.9693 116.6008 60.4501 38.8350 177.2275 48 E 3.8981 8.1885 118.4286 59.4264 29.5458 178.6644 49 L 3.3893 8.0222 119.0195 57.1127 41.5925 178.7806 50 H 3.9960 8.0992 118.6693 59.0437 29.6591 177.1983 51 A 3.8604 7.7589 122.2526 54.9854 18.2731 179.5605 52 K 3.6864 7.7688 118.1294 59.6504 32.1522 179.0380 53 F 4.4382 7.8182 118.4055 60.4415 38.7011 177.2727 54 E 2.5400 7.7778 118.5791 58.6247 29.3650 178.2382 55 E 3.7341 7.9178 119.3293 59.4420 29.6005 179.0466 56 I 3.7152 7.6787 119.6916 64.6166 37.2821 178.1418 57 Y 4.2281 7.9931 118.7959 60.1397 37.6565 178.2016 58 T 4.0202 7.7504 117.9372 66.7324 68.6406 176.3119 59 D 4.3974 8.1216 120.8022 57.3210 40.7444 178.7888 60 L 4.2030 8.2097 119.6250 57.8343 41.6085 179.3423 61 Q 3.6870 8.3901 119.5567 59.0325 28.9851 178.2953 62 L 3.9608 7.7357 119.7747 57.8585 41.6446 179.7307 63 K 4.1290 7.7848 119.4171 58.7466 31.7654 179.5182 64 I 3.4566 7.8003 120.4265 64.2258 36.9958 177.9572 65 D 4.3296 7.8985 119.6410 57.7295 40.6655 178.9822 66 E 4.0360 8.1336 118.7604 59.2216 29.4117 179.5402 67 L 3.9469 8.4028 119.3602 57.7146 41.7457 179.2767 68 A 4.0123 8.1076 120.7561 55.4094 18.2736 179.6138 69 E 3.9609 8.2975 116.9806 59.3401 29.5639 179.5496 70 R 3.8650 8.2046 119.2151 59.3543 30.1077 178.6891 71 I 3.7205 7.7855 119.6520 64.4126 37.1333 178.3656 72 L 4.2429 7.9040 121.1042 57.6646 41.2063 179.7822 73 T 3.9399 7.8903 114.8004 66.1468 68.3792 175.6677 74 L 4.3400 7.5736 118.2315 53.9578 41.9133 176.6462 75 S 3.7720 8.1223 113.6629 59.9036 60.9456 171.0969 76 A 4.7199 7.7919 121.0833 50.1510 21.8068 176.0337 77 R 4.4251 8.2796 119.9235 54.3018 31.5841 174.4522 78 P 5.4546 0.0000 0.0000 62.0818 30.3899 177.3400 *80 H 4.6572 8.8749 106.4733 54.5569 29.6437 173.5151 81 S 4.3727 6.7029 112.8820 56.7138 67.2024 173.2102 82 F 4.6009 8.5954 123.4380 61.2215 38.8453 178.2108 83 S 4.2835 8.1678 113.3432 61.3134 62.8377 176.5929 84 G 3.5016 7.8580 108.9795 47.8042 0.0000 175.3232 85 Y 4.4610 7.8355 119.4125 60.9069 37.6675 178.7023 86 L 4.0904 8.1247 119.1127 57.5387 41.7511 179.1490 87 K 4.0927 7.9868 118.6528 58.9047 32.2118 178.0464 88 A 4.3698 7.6606 118.9543 52.4255 19.7737 177.6342 89 A 4.2159 7.7000 120.4454 52.3700 19.0959 177.3120 90 Q 4.1703 8.7865 122.4244 58.1431 29.7822 176.8146 91 I 3.7564 8.2046 119.4291 61.1536 37.4852 175.9200 92 K 4.4143 8.2657 124.3841 54.9165 33.3590 176.5130 93 E 4.0811 8.5236 120.9376 56.9410 29.8166 176.5246 94 H 4.7933 9.2839 122.8868 54.7018 30.2090 172.4209 95 T 4.6011 8.1902 116.5158 60.5228 71.3078 173.3594 96 D 4.2680 8.4781 118.7979 55.4884 38.2242 174.5368 97 S 4.4355 7.4654 112.7206 57.4846 62.0169 173.2416 98 I 4.7847 8.5469 119.9831 59.4359 38.6363 174.6112 99 D 5.3058 7.7087 120.8379 51.2256 42.0878 176.7234 100 G 3.8593 9.1400 110.9629 49.1010 0.0000 174.8232 101 R 4.2808 8.3696 119.1354 59.0308 30.6858 177.4771 102 S 4.2298 8.6598 112.5284 61.6634 62.6129 176.6481 103 S 3.1028 7.7400 113.6636 58.7826 61.8472 175.7895 *105 Q 4.2847 8.2165 124.3979 56.0854 30.7210 177.3824 106 G 3.8255 8.0486 106.0077 47.1857 0.0000 175.6863 107 L 4.3578 8.1480 121.3669 57.6409 41.7005 179.6817 108 V 3.7834 7.9366 117.6985 66.3289 31.4038 177.6773 109 D 4.4765 8.6053 119.0483 57.1389 40.6012 179.0934 110 G 2.7741 8.2639 106.3259 47.6425 0.0000 175.8804 111 F 4.0627 8.0939 120.9776 60.1130 38.9347 177.9581 112 S 4.2075 8.2825 114.9593 61.5963 62.5877 176.8259 113 I 3.6604 7.3762 122.5736 64.3126 36.7726 178.4808 114 L 3.8986 7.7670 119.8118 57.6735 41.3259 179.5556 115 L 4.0499 8.3641 119.3316 58.1006 41.5995 179.0569 116 H 4.0913 8.1455 117.8659 59.3622 29.8339 177.0909 117 Q 3.9978 8.3033 121.3719 59.3497 28.8307 178.2299 118 Q 4.1039 8.5856 119.5463 58.9744 28.7692 178.8138 119 R 3.9577 8.3026 119.3739 59.3255 30.0837 178.8713 120 D 4.3463 8.0734 118.7147 57.3978 40.7497 178.9170 121 I 3.7391 7.8612 120.3831 64.0706 37.0650 178.0258 122 L 3.9086 8.2583 121.6998 58.2813 41.9933 178.7698 123 E 3.8990 8.2179 119.0037 59.1204 29.5011 178.4384 124 L 3.9232 8.0178 120.1478 58.1962 42.1950 178.8111 125 A 4.0633 8.4712 121.2485 55.1381 17.8036 179.8523 126 G 3.5777 8.3114 104.3078 47.9146 0.0000 175.6476 127 E 4.0805 7.8888 120.0531 58.5475 29.5316 178.0246 128 T 4.3932 7.2634 105.0888 60.9557 69.2579 174.4899 129 G 3.8264 7.8173 108.7217 47.1795 0.0000 175.3564 130 D 4.5901 7.8847 121.2565 52.5870 38.8995 175.7745 131 E 4.0151 8.2721 124.8516 58.7040 29.9901 177.9470 132 G 3.6433 8.0463 105.2846 48.0868 0.0000 175.7043 133 T 3.8839 8.0053 117.1029 66.3630 68.6025 176.6476 134 S 4.2321 7.9053 115.7475 61.8274 63.2246 176.4971 135 A 4.1520 8.3330 123.5407 54.8093 18.0306 179.7871 136 L 3.5358 7.3219 115.7200 55.8168 41.8369 178.6028 *138 S 4.3599 7.9907 113.1876 58.0049 64.4168 175.3901 139 D 4.4401 8.1161 119.9036 57.7945 40.0038 178.5535 140 Y 4.4070 8.1164 117.0803 61.1398 37.7988 178.6079 141 I 3.8443 7.9300 120.5095 64.4802 36.9909 178.5247 142 R 3.9816 8.1117 116.9140 59.4201 29.2014 178.7480 143 E 4.0340 8.2096 118.8125 59.1775 29.4558 179.1266 144 Q 3.8615 8.3277 117.9257 58.2742 28.8426 178.3052 145 E 3.9799 8.5549 120.4130 59.2129 29.2975 179.1459 146 K 4.1368 7.5404 117.9079 59.5303 32.3853 178.0663 147 L 3.9551 7.5919 119.1808 58.2588 42.1515 178.7427 148 V 3.7713 8.0027 118.3957 65.6011 31.3751 177.8036 149 W 4.4941 8.1061 124.2541 58.7461 30.5416 177.0987 *151 L 4.2249 7.7930 118.6306 54.6734 43.0108 178.9008 152 N 4.4403 8.3631 114.5992 56.1379 38.7603 177.0111 153 A 4.1599 8.0822 122.2959 54.9437 18.2602 179.3978 154 W 4.0155 8.1054 125.1537 60.6189 30.9387 177.5460 155 L 4.3558 7.8487 116.2552 56.3078 41.2451 177.2062 156 K 4.1669 7.6453 122.9976 56.6146 31.9691 176.6525 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 S 8.33 4.49 0.00 3.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 N 8.00 4.25 0.00 2.78 2.78 0.00 0.00 6.86 6.46 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 A 8.69 4.05 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 0 A 8.69 4.05 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 3 T 7.57 4.80 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 1.21 0.00 0.00 4 N 8.58 4.80 0.00 2.95 3.01 0.00 0.00 7.21 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.65 3.96 0.00 1.63 1.77 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.77 3.96 1.86 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 1.42 0.59 0.96 0.00 0.00 7 G 8.47 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 8 L 7.91 4.51 0.00 1.73 1.59 0.91 0.70 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 9 D 8.29 4.75 0.00 2.78 2.66 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 0.00 0.00 0.00 10 T 8.47 3.84 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 11 T 7.90 3.85 4.43 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 1.21 0.00 0.00 12 Q 8.81 4.03 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 13 S 8.18 4.17 0.00 4.05 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 14 Q 8.39 4.08 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 15 K 8.07 3.92 0.00 1.84 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 16 L 8.00 3.98 0.00 1.87 1.70 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.54 3.99 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 18 N 8.50 4.24 0.00 2.85 3.00 0.00 0.00 7.10 8.82 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 19 A 7.97 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 4.03 0.00 1.87 1.76 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.60 4.47 0.00 3.01 2.93 0.00 0.00 6.97 7.40 0.00 0.00 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 N 8.28 4.41 0.00 2.95 2.90 0.00 0.00 6.64 6.80 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 23 L 8.15 4.11 0.00 1.87 2.00 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.43 3.97 0.00 1.89 1.96 0.86 1.04 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 25 A 8.27 3.91 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 4.22 0.00 2.92 2.70 0.00 0.00 7.06 7.15 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 27 Y 8.34 3.95 0.00 3.15 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 28 Q 7.89 3.92 0.00 1.55 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.97 0.00 0.00 0.00 0.00 0.00 2.06 1.16 0.00 29 V 7.42 3.67 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 0.82 0.00 0.00 0.94 0.00 0.00 30 F 8.34 4.45 0.00 2.84 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 31 Y 8.24 3.97 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 *33 N 8.07 4.13 0.00 2.56 2.17 0.00 0.00 7.04 7.05 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 34 T 7.00 2.85 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 1.01 0.00 0.00 35 R 7.11 2.90 0.00 0.73 0.66 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 36 G 7.11 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.25 4.09 0.00 2.08 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 7.70 4.41 0.00 3.22 3.31 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.87 4.61 0.00 3.42 3.12 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 40 N 8.46 4.83 0.00 3.06 2.92 0.00 0.00 6.63 6.84 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 41 I 7.12 4.03 2.25 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.73 0.87 0.00 0.00 42 Q 8.61 4.61 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.17 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 43 G 8.52 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.37 4.18 0.00 1.80 1.93 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.48 7.81 45 E 8.15 4.39 0.00 2.18 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 2.76 2.56 0.00 46 F 8.46 3.91 0.00 3.12 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 47 F 7.97 4.29 0.00 3.20 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 48 E 8.19 3.90 0.00 2.08 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 2.28 2.37 0.00 49 L 8.02 3.39 0.00 1.48 0.57 0.66 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.10 4.00 0.00 2.43 2.91 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.76 3.86 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 52 K 7.77 3.69 0.00 1.68 1.24 0.00 1.37 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.06 1.22 7.81 53 F 7.82 4.44 0.00 3.06 2.89 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 54 E 7.78 2.54 0.00 1.63 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.61 0.00 55 E 7.92 3.73 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 56 I 7.68 3.72 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.68 1.05 0.00 0.00 57 Y 7.99 4.23 0.00 2.70 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 58 T 7.75 4.02 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 1.20 0.00 0.00 59 D 8.12 4.40 0.00 2.90 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 60 L 8.21 4.20 0.00 2.15 1.98 0.70 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.39 3.69 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 62 L 7.74 3.96 0.00 1.85 1.70 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.78 4.13 0.00 1.60 0.88 0.00 1.58 0.00 0.00 0.92 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.79 1.25 7.81 64 I 7.80 3.46 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.56 0.78 0.00 0.00 65 D 7.90 4.33 0.00 2.88 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 66 E 8.13 4.04 0.00 2.30 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 2.37 2.49 0.00 67 L 8.40 3.95 0.00 1.83 1.68 0.68 0.79 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 68 A 8.11 4.01 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 69 E 8.30 3.96 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 70 R 8.20 3.86 0.00 1.97 2.04 0.00 3.12 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 71 I 7.79 3.72 2.06 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 1.54 0.60 0.96 0.00 0.00 72 L 7.90 4.24 0.00 1.88 1.71 0.94 0.32 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 73 T 7.89 3.94 4.41 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 1.20 0.00 0.00 74 L 7.57 4.34 0.00 1.81 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.12 3.77 0.00 4.03 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 76 A 7.79 4.72 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 77 R 8.28 4.43 0.00 1.79 1.87 0.00 3.26 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 78 P 0.00 5.45 0.00 2.28 1.46 0.00 3.45 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 *80 H 8.87 4.66 0.00 3.30 3.48 0.00 5.11 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 6.70 4.37 0.00 3.82 3.69 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 82 F 8.60 4.60 0.00 3.01 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 83 S 8.17 4.28 0.00 4.05 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 0.00 84 G 7.86 3.50 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 0.00 85 Y 7.84 4.46 0.00 3.22 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 86 L 8.12 4.09 0.00 1.81 1.77 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.99 4.09 0.00 1.92 1.99 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 88 A 7.66 4.37 1.47 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 0.00 0.00 0.00 89 A 7.70 4.22 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 90 Q 8.79 4.17 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 91 I 8.20 3.76 1.77 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.86 0.00 0.00 92 K 8.27 4.41 0.00 1.72 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.57 7.81 93 E 8.52 4.08 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 2.27 2.28 0.00 94 H 9.28 4.79 0.00 3.02 3.17 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.19 4.60 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 1.19 0.00 0.00 96 D 8.48 4.27 0.00 2.87 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 97 S 7.47 4.44 0.00 3.57 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 98 I 8.55 4.78 1.99 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 1.12 1.55 0.97 0.00 0.00 99 D 7.71 5.31 0.00 2.86 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 0.00 100 G 9.14 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 0.00 101 R 8.37 4.28 0.00 1.97 2.21 0.00 3.30 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 102 S 8.66 4.23 0.00 3.95 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 0.00 103 S 7.74 3.10 0.00 3.69 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 *105 Q 8.22 4.28 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 106 G 8.05 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 0.00 107 L 8.15 4.36 0.00 1.89 2.10 1.13 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.94 3.78 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 1.15 0.00 0.00 1.02 0.00 0.00 109 D 8.61 4.48 0.00 2.87 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 0.00 110 G 8.26 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 0.00 0.00 0.00 111 F 8.09 4.06 0.00 3.22 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.28 4.21 0.00 4.03 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 0.00 113 I 7.38 3.66 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.80 0.00 0.00 114 L 7.77 3.90 0.00 1.75 1.62 0.12 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.36 4.05 0.00 1.86 1.77 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.15 4.09 0.00 3.30 3.45 0.00 5.78 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 0.00 117 Q 8.30 4.00 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 118 Q 8.59 4.10 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 119 R 8.30 3.96 0.00 1.95 1.96 0.00 3.14 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 1.66 1.85 0.00 120 D 8.07 4.35 0.00 2.87 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 0.00 121 I 7.86 3.74 2.01 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 1.43 0.81 0.91 0.00 0.00 122 L 8.26 3.91 0.00 1.80 1.84 0.92 0.72 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 0.00 123 E 8.22 3.90 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 124 L 8.02 3.92 0.00 1.81 1.80 0.97 0.90 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 0.00 125 A 8.47 4.06 1.42 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 0.00 0.00 126 G 8.31 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 0.00 127 E 7.89 4.08 0.00 2.20 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 2.35 2.52 0.00 128 T 7.26 4.39 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 1.21 0.00 0.00 129 G 7.82 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 0.00 130 D 7.88 4.59 0.00 2.73 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 0.00 131 E 8.27 4.02 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 2.36 2.42 0.00 132 G 8.05 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 0.00 133 T 8.01 3.88 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 1.18 0.00 0.00 134 S 7.91 4.23 0.00 3.97 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 0.00 135 A 8.33 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.32 3.54 0.00 1.66 1.53 0.71 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 *138 S 7.99 4.36 0.00 3.91 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 0.00 139 D 8.12 4.44 0.00 2.96 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 0.00 140 Y 8.12 4.41 0.00 3.06 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 0.00 141 I 7.93 3.84 1.93 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 1.77 0.80 0.96 0.00 0.00 142 R 8.11 3.98 0.00 2.08 2.23 0.00 2.80 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 143 E 8.21 4.03 0.00 2.12 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 2.37 2.57 0.00 144 Q 8.33 3.86 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.48 0.00 145 E 8.55 3.98 0.00 2.02 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 2.37 2.55 0.00 146 K 7.54 4.14 0.00 1.85 2.10 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.71 1.82 7.81 147 L 7.59 3.96 0.00 1.46 1.41 0.79 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.00 3.77 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 1.13 0.00 0.00 1.03 0.00 0.00 149 W 8.11 4.49 0.00 3.46 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 *151 L 7.79 4.22 0.00 1.80 1.76 1.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.36 4.44 0.00 2.98 2.96 0.00 0.00 7.05 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.08 4.16 1.23 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 0.00 154 W 8.11 4.02 0.00 3.19 3.39 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 0.00 155 L 7.85 4.36 0.00 1.96 1.83 1.08 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.65 4.17 0.00 1.90 1.72 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.57 7.81 * Residues marked with a * may have inaccurate shift predictions.