NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 T 4.5893 8.0327 115.2432 61.6338 68.6127 174.1239 35 L 3.7938 8.8607 131.1368 57.3137 42.0404 175.3841 36 E 4.0532 9.0424 120.1340 59.5451 30.0094 177.9433 37 D 4.3929 7.7820 117.6179 57.6114 40.9099 178.5683 38 D 4.3525 8.1851 119.2880 57.3959 40.8061 178.9339 39 L 4.1309 8.5330 119.9969 57.5191 41.5283 178.9514 40 N 4.3792 8.4069 117.1811 56.8432 38.9667 176.6096 41 E 3.9256 8.2155 120.6689 59.3630 29.6072 178.9438 42 T 3.6114 7.8417 115.8909 66.7313 68.4861 176.5068 43 N 4.6291 8.8007 118.7485 56.0676 38.4822 177.5896 44 K 3.9185 8.4101 120.3678 59.6733 32.3007 178.3596 45 Y 4.0001 7.9791 119.5155 61.1731 38.7555 177.9658 46 Y 4.3001 8.0102 117.4336 60.9774 37.8619 178.2966 47 L 4.0988 8.3250 121.6816 58.5546 42.1173 179.2157 48 T 3.9238 8.1482 108.5233 63.7210 68.7160 174.9405 49 N 4.6415 7.4358 117.0318 51.8921 39.0148 174.3898 50 Q 3.5849 7.9237 118.1179 57.1012 27.1214 175.3904 51 I 3.9549 8.2357 120.3895 64.0301 37.4817 176.0178 52 A 4.6204 7.4642 117.9060 51.1446 22.4360 176.4847 53 V 4.3589 8.7444 119.5981 60.8827 32.6741 173.3255 54 I 5.2428 8.1941 125.1933 59.4464 40.4647 174.3338 55 H 5.0582 9.0437 122.7153 53.6020 33.1339 172.6355 56 K 3.7647 8.6127 122.9734 55.8403 32.7720 176.6302 57 K 4.1395 8.9440 128.8335 55.4412 32.4488 175.5849 58 P 4.2993 0.0000 0.0000 62.9088 31.9472 176.0880 59 T 4.1535 8.2733 117.8737 62.9050 68.9418 172.6367 60 P 4.3958 0.0000 0.0000 63.2743 32.4706 175.6604 61 V 5.1587 8.0745 116.9863 59.8527 35.1776 172.5536 62 Q 4.4424 8.2213 121.4746 56.2594 31.7133 173.8234 63 I 4.6931 8.1223 116.6576 59.6480 40.6138 174.7497 64 V 4.4630 8.3978 124.9363 61.8917 34.2982 173.9577 65 N 4.6261 8.3501 115.3021 53.3287 40.3125 174.4648 *79 A 4.2722 7.5757 121.8471 52.1437 19.4935 175.2668 80 Y 4.5904 8.2479 119.3902 56.0958 42.0799 175.1840 81 F 4.8044 8.6046 122.6739 58.2631 39.5006 176.4903 82 K 4.4670 8.4419 127.9516 54.2492 33.0419 173.3217 83 Q 3.9749 8.4710 119.0811 59.5072 29.3868 175.9687 84 S 4.5698 8.3545 107.7135 57.8206 62.2299 168.7271 85 S 4.7223 8.3175 114.4351 57.8490 63.8208 173.5906 86 T 4.5189 7.6953 116.5641 61.7385 72.1066 173.8874 87 T 4.2673 8.0094 113.2236 61.7090 69.6694 174.4720 88 D 4.3153 9.4706 123.0294 56.4428 42.2562 175.7861 89 Y 5.0270 7.7670 116.9261 55.8201 40.7689 174.8961 90 N 5.1152 8.5041 120.5699 51.2281 41.6599 174.2374 91 G 4.2166 7.2268 104.6226 46.2645 0.0000 171.0754 92 I 5.0967 7.7737 120.3684 59.2888 41.0883 174.6234 93 Y 4.8861 8.5587 127.3232 56.8030 41.3942 175.2880 94 K 3.4672 9.2179 127.9191 57.6507 29.5244 175.3571 95 G 4.0335 8.1705 100.3587 46.3698 0.0000 173.1811 96 R 4.8614 7.9327 118.0052 53.8837 33.8484 174.6159 97 Y 4.7603 8.6997 123.8050 57.7122 40.1652 174.0237 98 I 5.0488 8.4740 127.7878 59.5501 40.5709 174.2878 99 D 4.9381 8.8707 125.9077 52.7655 44.8189 173.9296 100 F 5.3824 8.8134 119.7681 56.0729 41.7975 172.4564 101 E 5.1965 8.6855 119.2168 54.3916 33.1434 174.2025 102 A 5.3609 8.7627 124.7168 50.3085 21.7667 175.5703 103 K 4.8669 9.4089 121.9954 54.5326 36.4491 175.3730 104 E 5.2966 8.8656 120.2982 54.9508 32.5882 174.8972 105 T 4.7323 8.5543 114.6110 60.6442 70.3409 174.0173 106 K 4.2051 8.7889 125.2550 56.9599 32.8768 176.7022 107 N 4.3450 7.7153 118.1162 53.9417 38.8725 174.8641 108 K 4.4578 8.8332 124.8363 58.4093 33.0048 177.2805 109 T 4.5111 8.8545 114.2736 63.1869 69.5493 173.9615 110 S 5.1458 8.3345 112.3858 57.3497 66.4270 173.8145 111 F 4.6872 10.0654 124.6818 55.8358 40.6491 173.3979 112 P 4.4031 0.0000 0.0000 62.5387 31.4558 177.6955 113 L 4.3650 8.6330 124.5980 57.1957 41.7494 178.8892 114 Q 4.4505 7.8932 114.4020 57.2870 28.4584 176.8578 115 N 4.2863 7.6409 116.6930 55.4110 38.7330 175.2082 116 F 5.0639 7.9246 116.2037 56.1626 41.1001 174.9005 117 H 5.3838 8.1144 117.2637 53.6466 32.5861 174.4534 118 D 4.3621 8.9850 121.1628 57.8226 40.6144 178.7742 119 H 4.0587 8.3952 116.2382 59.0818 28.8144 177.1717 120 Q 3.9341 8.1171 119.0853 59.3745 28.5212 179.6681 121 I 3.5109 7.0707 120.1372 64.0878 37.0264 177.9199 122 E 3.7291 8.2981 120.5862 59.5654 29.3640 178.0848 123 H 4.0333 8.6177 118.3620 59.7858 29.7684 176.6882 124 M 4.0401 8.0960 120.1082 58.7076 31.8892 179.0664 125 K 3.9547 7.9169 118.2656 59.4421 31.7097 179.5200 126 Q 3.9755 8.0336 118.5437 58.7482 28.5591 178.9579 127 V 3.5855 7.9772 119.5025 65.8029 31.5339 178.0074 128 K 3.9287 8.4404 118.4304 59.7829 31.7837 179.0126 129 A 4.0370 7.9672 119.1970 54.7223 18.1842 178.5905 130 Q 4.3485 7.2809 113.3485 55.1309 29.0915 175.0169 131 D 4.4632 8.2498 118.3100 55.2985 40.0305 174.1285 132 G 4.0971 7.9201 103.5253 45.4474 0.0000 174.7726 133 I 4.1832 8.5015 122.9890 60.3739 38.1973 174.6465 134 C 5.8332 8.6844 127.2426 56.6802 35.3307 172.6352 135 F 5.0781 7.5805 118.7131 56.6968 40.5380 172.4659 136 V 4.8566 8.5307 111.7593 59.5894 35.5258 175.0905 137 I 4.8395 8.8237 124.0659 59.7910 39.5766 174.6734 138 I 4.6839 8.6329 128.4400 59.4686 39.7908 174.8355 139 S 5.0537 8.9181 123.3885 57.5894 63.1824 172.6369 140 A 4.4072 8.9867 127.8038 51.0310 22.8352 175.5708 141 F 4.0382 8.7921 116.3533 59.4018 36.3576 175.6843 142 D 4.4078 8.4937 115.0908 55.0271 39.0132 173.4018 143 Q 4.5619 7.9910 117.8513 53.7823 32.1866 174.1724 144 V 4.8114 7.6685 117.7003 61.4522 34.4665 173.5879 145 Y 5.2622 9.2168 125.4916 56.2193 41.5311 174.6544 146 F 4.9909 9.6506 126.2679 56.8882 41.0372 174.2673 147 L 5.0506 8.6627 130.3074 52.9142 43.9105 175.1807 148 E 4.3322 9.2240 127.5540 56.7840 30.3838 177.4796 149 A 3.4643 8.6693 127.7516 55.3078 18.4156 179.5275 150 D 4.3471 7.9426 116.5584 58.0302 40.6743 179.4601 151 K 3.8564 7.9614 117.7907 59.4781 32.0768 179.0247 152 L 4.2670 7.8576 120.5771 58.1635 41.8931 179.0474 153 F 4.6449 7.9553 117.9066 60.7344 38.8776 176.6288 154 Y 4.2028 8.0593 119.0997 61.1896 38.2923 178.6262 155 F 4.2787 7.5275 116.6748 60.0982 39.0477 177.3437 156 W 4.3051 8.5441 127.5982 60.4492 30.8869 176.9395 157 D 4.5662 9.0485 119.5219 57.5849 40.3209 178.6631 158 R 4.1216 7.5132 111.6177 56.8562 29.5401 177.2494 159 K 4.3120 7.5561 119.9967 58.6976 32.0657 177.6166 160 E 4.7252 7.7863 116.2102 55.3542 30.2249 176.6024 161 K 4.6585 7.8090 116.2839 55.6005 33.1791 175.0862 162 N 4.9992 7.9314 120.4780 53.4519 38.2309 177.1140 163 G 4.0232 8.5218 106.0598 46.0623 0.0000 174.9393 164 R 4.1919 8.0591 121.5389 55.9343 28.0173 176.8747 165 K 4.5726 8.1477 118.2690 56.1258 33.5472 175.6355 166 S 5.1927 7.7628 115.0948 56.8405 67.0188 173.2449 167 I 4.2546 8.7269 123.7242 59.6964 38.6192 176.1617 168 R 4.1074 9.2010 127.0637 55.4829 30.9454 177.3359 169 K 3.0226 8.1593 122.4078 59.9152 32.0145 178.8547 170 D 4.2980 7.8478 118.3645 56.4627 38.7563 178.1627 171 E 4.0355 7.9347 119.5719 59.0316 29.4904 178.8951 172 L 3.8164 8.2008 120.8144 58.1967 41.9672 178.8320 173 E 3.9700 8.0807 117.5900 59.3665 29.3909 178.6906 174 E 4.1002 7.9801 118.5185 58.2422 29.8096 177.2056 175 T 4.3711 7.5374 105.6083 60.9626 70.6456 173.6047 176 A 5.1013 7.8789 123.2312 50.5093 22.0868 175.2627 177 Y 4.7038 8.9499 116.9607 55.5633 40.2532 174.0055 178 P 4.6274 0.0000 0.0000 62.8285 31.9738 176.0935 179 I 4.1957 8.5989 126.2592 60.6502 38.5398 175.9537 180 S 4.3191 8.5815 122.3246 58.5337 63.7765 173.1311 181 L 5.0575 8.4624 124.8778 53.8425 43.6271 175.9731 182 G 4.0008 8.5580 108.3215 46.0633 0.0000 173.2785 183 Y 3.8230 8.7758 119.8981 59.8677 38.9135 176.1231 184 A 3.7921 7.4061 124.2764 50.1653 20.6786 173.9292 185 P 3.8390 0.0000 0.0000 62.4165 32.6386 177.0600 186 R 4.5515 8.2350 118.5233 58.5100 30.0593 176.7743 187 I 4.4862 7.2341 121.5430 59.4435 38.4900 176.3122 188 D 5.0809 8.7456 131.7863 52.6960 37.7053 176.0321 189 Y 4.2915 7.6442 121.7210 59.7851 38.8520 177.8770 190 I 3.1411 6.8503 121.4364 64.2367 36.9773 177.9934 191 S 4.1650 7.6584 112.3657 61.1572 62.1186 176.3347 192 I 3.3854 7.2932 122.3463 63.9024 36.7903 178.1951 193 I 3.7723 7.4978 120.6772 64.3115 36.9748 177.8155 194 E 4.2383 8.5824 120.4674 59.5630 29.1834 178.7042 195 Q 3.8658 7.6727 117.8592 59.3402 29.2541 177.9665 196 L 3.8795 7.6397 118.1106 56.5234 41.7233 177.3334 197 Y 4.5393 8.1498 113.6354 57.4015 40.1078 176.0968 198 F 4.6677 8.2139 120.3361 57.6062 39.9777 176.0354 199 S 4.2537 8.2723 122.6202 58.6284 61.9448 172.9715 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 34 T 8.03 4.59 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 1.24 0.00 0.00 35 L 8.86 3.79 0.00 1.80 1.81 0.92 0.43 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 36 E 9.04 4.05 0.00 2.14 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 2.48 2.53 0.00 37 D 7.78 4.39 0.00 2.95 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 38 D 8.19 4.35 0.00 2.85 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 39 L 8.53 4.13 0.00 1.93 1.78 0.75 0.52 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 40 N 8.41 4.38 0.00 2.93 3.02 0.00 0.00 6.81 7.20 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 41 E 8.22 3.93 0.00 2.30 1.84 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 2.22 2.30 0.00 42 T 7.84 3.61 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 1.11 0.00 0.00 43 N 8.80 4.63 0.00 2.90 3.20 0.00 0.00 7.09 8.23 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 44 K 8.41 3.92 0.00 2.06 1.89 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.59 7.81 45 Y 7.98 4.00 0.00 3.01 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 46 Y 8.01 4.30 0.00 3.21 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 47 L 8.32 4.10 0.00 1.92 1.84 0.99 1.11 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 48 T 8.15 3.92 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 49 N 7.44 4.64 0.00 2.40 2.64 0.00 0.00 7.00 7.58 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 50 Q 7.92 3.58 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 51 I 8.24 3.95 1.99 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 1.28 0.66 0.81 0.00 0.00 52 A 7.46 4.62 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.74 4.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.98 0.00 0.00 54 I 8.19 5.24 2.15 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.92 1.33 0.00 0.00 55 H 9.04 5.06 0.00 3.11 3.15 0.00 5.81 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 56 K 8.61 3.76 0.00 1.48 1.51 0.00 1.46 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.94 0.21 7.81 57 K 8.94 4.14 0.00 1.49 1.64 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.40 7.81 58 P 0.00 4.30 0.00 2.02 1.99 0.00 3.64 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 2.01 2.10 0.00 59 T 8.27 4.15 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 1.21 0.00 0.00 60 P 0.00 4.40 0.00 2.14 2.19 0.00 3.65 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 2.30 2.00 0.00 61 V 8.07 5.16 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 1.14 0.00 0.00 0.93 0.00 0.00 62 Q 8.22 4.44 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 63 I 8.12 4.69 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.05 0.91 0.00 0.00 64 V 8.40 4.46 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 0.80 0.00 0.00 0.93 0.00 0.00 65 N 8.35 4.63 0.00 2.73 2.61 0.00 0.00 6.60 7.46 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 *79 A 7.58 4.27 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 80 Y 8.25 4.59 0.00 2.80 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 81 F 8.60 4.80 0.00 2.99 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 82 K 8.44 4.47 0.00 1.49 1.60 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.25 7.81 83 Q 8.47 3.97 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 5.76 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 84 S 8.35 4.57 0.00 3.91 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 85 S 8.32 4.72 0.00 4.05 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 86 T 7.70 4.52 4.14 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 0.00 0.00 1.07 0.00 0.00 87 T 8.01 4.27 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 1.18 0.00 0.00 88 D 9.47 4.32 0.00 2.48 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 0.00 0.00 0.00 0.00 89 Y 7.77 5.03 0.00 1.43 1.69 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 90 N 8.50 5.12 0.00 2.42 2.73 0.00 0.00 6.37 6.88 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 91 G 7.23 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 0.00 0.00 0.00 0.00 92 I 7.77 5.10 1.95 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 1.24 1.69 1.03 0.00 0.00 93 Y 8.56 4.89 0.00 2.91 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 94 K 9.22 3.47 0.00 0.88 1.47 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.49 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.77 0.21 7.81 95 G 8.17 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 0.00 0.00 0.00 96 R 7.93 4.86 0.00 2.13 1.93 0.00 3.08 0.00 0.00 3.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 97 Y 8.70 4.76 0.00 3.12 2.88 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 98 I 8.47 5.05 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 1.25 0.00 0.00 99 D 8.87 4.94 0.00 2.51 2.43 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 0.00 100 F 8.81 5.38 0.00 2.32 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 0.00 101 E 8.69 5.20 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 2.52 2.68 0.00 102 A 8.76 5.36 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 0.00 103 K 9.41 4.87 0.00 1.65 1.77 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.33 0.85 7.81 104 E 8.87 5.30 0.00 2.00 1.90 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 2.17 2.26 0.00 105 T 8.55 4.73 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 106 K 8.79 4.21 0.00 1.78 1.85 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.36 7.81 107 N 7.72 4.34 0.00 2.70 2.99 0.00 0.00 7.19 7.46 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 0.00 108 K 8.83 4.46 0.00 1.86 1.92 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.49 7.81 109 T 8.85 4.51 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 1.26 0.00 0.00 110 S 8.33 5.15 0.00 4.03 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 0.00 111 F 10.07 4.69 0.00 2.98 3.03 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 0.00 112 P 0.00 4.40 0.00 1.85 1.80 0.00 3.10 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 113 L 8.63 4.36 0.00 1.89 2.02 1.08 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 7.89 4.45 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.12 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 115 N 7.64 4.29 0.00 2.18 2.50 0.00 0.00 6.83 8.59 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 0.00 116 F 7.92 5.06 0.00 3.14 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 0.00 117 H 8.11 5.38 0.00 3.44 3.50 0.00 5.47 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.98 4.36 0.00 2.91 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 0.00 119 H 8.40 4.06 0.00 3.35 3.41 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 0.00 120 Q 8.12 3.93 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 121 I 7.07 3.51 1.40 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 0.54 -0.36 0.53 0.00 0.00 122 E 8.30 3.73 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 123 H 8.62 4.03 0.00 3.34 3.47 0.00 5.66 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 0.00 124 M 8.10 4.04 0.00 2.35 2.52 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.57 0.00 125 K 7.92 3.95 0.00 1.70 1.59 0.00 1.32 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.98 7.81 126 Q 8.03 3.98 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 127 V 7.98 3.59 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 1.26 0.00 0.00 0.89 0.00 0.00 128 K 8.44 3.93 0.00 2.09 2.00 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.91 1.96 7.81 129 A 7.97 4.04 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 0.00 130 Q 7.28 4.35 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.61 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 131 D 8.25 4.46 0.00 2.82 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 0.00 132 G 7.92 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 0.00 0.00 0.00 133 I 8.50 4.18 1.96 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.55 0.71 0.00 0.00 134 C 8.68 5.83 0.00 3.02 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 0.00 135 F 7.58 5.08 0.00 2.63 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.53 4.86 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 0.34 0.00 0.00 0.93 0.00 0.00 137 I 8.82 4.84 1.80 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.87 0.00 0.00 138 I 8.63 4.68 1.73 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.56 0.33 0.00 0.00 139 S 8.92 5.05 0.00 3.88 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 0.00 140 A 8.99 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.79 4.04 0.00 3.42 3.14 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 0.00 0.00 0.00 142 D 8.49 4.41 0.00 2.87 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 0.00 143 Q 7.99 4.56 0.00 1.65 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 144 V 7.67 4.81 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 0.92 0.00 0.00 0.87 0.00 0.00 145 Y 9.22 5.26 0.00 2.87 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 0.00 146 F 9.65 4.99 0.00 3.07 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 0.00 147 L 8.66 5.05 0.00 1.86 1.55 1.12 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 148 E 9.22 4.33 0.00 2.38 1.93 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 2.52 2.49 0.00 149 A 8.67 3.46 1.01 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 0.00 0.00 150 D 7.94 4.35 0.00 2.76 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 0.00 151 K 7.96 3.86 0.00 1.98 1.94 0.00 1.52 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.48 7.81 152 L 7.86 4.27 0.00 1.71 1.54 1.15 0.51 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 0.00 153 F 7.96 4.64 0.00 3.31 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 0.00 154 Y 8.06 4.20 0.00 2.99 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 0.00 155 F 7.53 4.28 0.00 3.31 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 0.00 156 W 8.54 4.31 0.00 3.72 3.44 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 0.00 157 D 9.05 4.57 0.00 2.89 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 0.00 158 R 7.51 4.12 0.00 1.80 1.75 0.00 2.99 0.00 0.00 2.75 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 159 K 7.56 4.31 0.00 1.56 1.53 0.00 1.16 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.19 1.18 7.81 160 E 7.79 4.73 0.00 1.87 1.84 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 2.03 2.08 0.00 161 K 7.81 4.66 0.00 1.78 1.77 0.00 1.51 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.39 7.81 162 N 7.93 5.00 0.00 2.86 2.88 0.00 0.00 6.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.52 4.02 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 0.00 164 R 8.06 4.19 0.00 1.88 1.92 0.00 3.14 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 165 K 8.15 4.57 0.00 1.66 1.74 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.49 7.81 166 S 7.76 5.19 0.00 3.68 3.72 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 0.00 167 I 8.73 4.25 1.86 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 0.70 1.01 0.14 0.00 0.00 168 R 9.20 4.11 0.00 1.91 1.76 0.00 3.17 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 169 K 8.16 3.02 0.00 0.79 1.35 0.00 1.48 0.00 0.00 1.21 0.00 0.00 2.65 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 0.96 7.81 170 D 7.85 4.30 0.00 2.95 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 0.00 171 E 7.93 4.04 0.00 2.20 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 0.00 2.65 2.45 0.00 172 L 8.20 3.82 0.00 1.72 1.55 0.76 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 173 E 8.08 3.97 0.00 1.93 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 2.53 2.47 0.00 174 E 7.98 4.10 0.00 2.28 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 2.30 2.30 0.00 175 T 7.54 4.37 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 1.33 0.00 0.00 176 A 7.88 5.10 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 0.00 177 Y 8.95 4.70 0.00 2.87 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 0.00 178 P 0.00 4.63 0.00 1.92 1.89 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.21 0.00 179 I 8.60 4.20 1.87 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.99 0.00 0.00 180 S 8.58 4.32 0.00 3.74 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 0.00 181 L 8.46 5.06 0.00 1.48 1.54 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 182 G 8.56 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 0.00 0.00 0.00 183 Y 8.78 3.82 0.00 2.92 2.99 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 0.00 0.00 0.00 184 A 7.41 3.79 0.96 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 0.00 0.00 185 P 0.00 3.84 0.00 1.66 1.28 0.00 3.48 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 186 R 8.23 4.55 0.00 1.77 1.92 0.00 3.23 0.00 0.00 3.28 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.37 0.00 187 I 7.23 4.49 1.94 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 0.99 0.00 0.00 188 D 8.75 5.08 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 Y 7.64 4.29 0.00 3.29 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 I 6.85 3.14 1.03 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 -0.36 0.03 0.00 0.00 191 S 7.66 4.16 0.00 3.87 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 0.00 192 I 7.29 3.39 1.22 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.56 -0.56 0.00 0.00 193 I 7.50 3.77 1.88 0.00 0.00 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 1.55 0.89 1.24 0.00 0.00 194 E 8.58 4.24 0.00 2.10 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 2.34 2.43 0.00 195 Q 7.67 3.87 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 196 L 7.64 3.88 0.00 1.16 0.85 0.12 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 197 Y 8.15 4.54 0.00 3.11 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 F 8.21 4.67 0.00 3.32 3.06 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 0.00 199 S 8.27 4.25 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.