NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7245 8.1476 118.3425 55.4216 33.7610 173.2815 2 I 4.9434 8.7101 111.3488 58.9541 41.6689 172.5582 3 I 5.0172 8.9164 124.1448 59.5529 40.6834 176.0072 4 V 4.9494 9.2671 126.5096 61.2861 34.3470 173.2779 5 Y 5.3883 9.3848 129.5321 56.3229 40.9989 174.2700 6 T 5.5336 8.5222 119.9471 59.9881 71.7346 172.0866 7 T 4.9313 7.8744 113.3882 59.7698 71.9652 173.0213 8 F 4.5138 8.7808 121.1876 54.7659 42.5488 174.7352 9 P 4.3098 0.0000 0.0000 65.4007 31.8040 175.9756 10 D 4.5378 7.2879 117.5424 51.0648 43.5957 176.1186 11 W 3.9981 8.6503 118.8996 59.4516 28.9417 178.3284 12 E 3.9362 8.2745 119.2576 59.4192 29.1335 178.9620 13 S 3.9843 8.7348 114.3998 61.1691 63.0290 176.1255 14 A 2.0000 7.3410 123.8869 54.3232 18.0870 179.5125 15 E 3.8353 8.1846 117.2809 59.1785 29.5845 179.5805 16 K 3.8444 7.8798 119.6730 59.4217 32.3026 179.0392 17 V 3.5021 7.5809 118.4789 66.0837 31.5189 178.0835 18 V 3.5854 7.6239 117.9527 65.9807 31.2268 178.1398 19 K 4.0148 8.1314 118.2276 59.6562 31.8350 179.4958 20 T 3.8632 7.8202 115.8181 66.6534 68.3093 176.7145 21 L 4.0050 8.0893 120.9153 57.7436 41.5378 179.6801 22 L 3.9901 7.9943 118.9823 57.6984 41.3747 179.6021 23 K 3.9702 8.2039 117.8409 59.2813 32.1051 178.4345 24 E 4.2143 8.2115 115.8046 55.6713 30.0271 176.5496 25 R 3.8666 8.0068 117.9562 57.2336 28.2610 177.9152 26 L 4.2490 8.0804 118.1137 56.0330 42.2610 177.2169 27 I 4.7151 7.4888 109.2965 58.3076 40.5105 174.5487 28 A 4.1191 8.4787 122.1181 53.0389 19.4399 177.3812 *30 A 4.4611 7.8260 115.8620 51.8782 20.2956 175.8288 31 N 5.0428 9.3072 117.4406 51.5525 41.5015 173.5589 32 L 5.4235 8.7134 124.0600 52.9556 44.2248 176.2410 33 R 4.9201 8.7588 118.8423 54.7999 33.0423 174.6141 34 E 4.6478 9.0482 121.2485 57.2452 30.6506 175.2293 35 H 4.7709 8.6192 115.7354 55.3730 32.5600 172.4444 36 R 4.9636 8.8135 117.7919 54.5047 31.8645 175.5840 37 A 4.9209 9.0115 126.2992 50.2916 21.8343 175.4565 38 F 5.2624 8.9105 119.2213 55.8368 42.0828 174.0090 39 Y 5.0093 8.3367 120.7227 55.3554 41.8400 173.9924 40 W 4.8461 8.9935 120.5805 56.3418 30.3115 176.5175 41 W 4.7981 9.8033 134.9401 57.0904 32.1513 174.2319 42 E 3.5143 9.2956 128.6968 57.4354 26.1203 175.9060 43 G 4.0713 8.6418 102.5924 45.3943 0.0000 172.4649 44 K 4.6820 8.0638 118.0121 54.9138 35.6146 175.4686 45 I 3.9260 7.8679 122.4139 60.5235 37.4813 175.4008 46 E 4.1893 8.7529 127.7280 55.3628 31.3048 175.4244 47 E 4.7534 8.2312 122.0414 54.5458 32.3509 174.5425 48 D 4.8109 8.7354 125.6101 52.7198 45.9130 174.8923 49 K 4.6380 8.5853 121.5922 56.5223 33.3378 175.8769 50 E 4.7243 9.0460 122.1988 55.0153 35.1450 174.1322 51 V 4.0650 8.5662 120.8629 60.9980 33.5743 174.8564 52 G 4.2472 9.0739 116.3134 45.6857 0.0000 171.8220 53 A 5.3022 8.9408 124.6865 49.9587 22.5129 174.9494 54 I 4.8203 9.1451 124.3523 59.9381 39.2126 174.7439 55 L 5.1395 9.3341 128.0085 52.8825 44.5459 175.8073 56 K 5.1242 8.4314 121.3797 55.2835 35.5562 175.2915 57 T 4.7704 8.3300 117.7823 61.7086 71.6555 172.4721 58 R 4.3985 8.4615 120.1697 55.5920 31.3726 177.4078 59 E 4.0248 8.9095 121.7229 59.5415 29.4915 178.8704 60 D 4.5995 8.1061 116.7995 55.3923 39.8620 177.1771 61 L 4.4025 7.7167 119.4615 54.5716 41.9656 177.7495 62 W 4.5839 8.0549 129.5670 60.9670 30.5894 177.3095 63 E 3.4129 8.1979 117.3875 59.4286 29.0073 179.0571 64 E 3.8424 7.9756 118.5467 58.9818 29.6787 178.3833 65 L 3.8600 8.1679 120.8209 57.9562 42.2319 178.7221 66 K 3.5069 7.7973 119.8606 59.5081 32.0573 178.5046 67 E 3.8589 7.8737 118.6703 59.3387 29.3320 179.3995 68 R 4.0425 7.9519 118.7177 59.4860 30.1671 178.6033 69 I 3.7498 7.9750 119.8963 64.2683 36.8330 178.4624 70 K 3.9464 7.8178 118.4035 59.6890 31.9722 178.9642 71 E 4.1117 7.9552 117.3232 58.8589 29.4361 178.6225 72 L 4.3433 7.7469 117.7224 55.3338 42.5354 177.0034 73 H 4.1776 8.1563 119.6764 55.3228 30.2260 173.5943 74 P 4.3967 0.0000 0.0000 65.5866 31.5913 176.6089 75 Y 4.6083 7.7987 115.9644 57.6901 38.5346 175.4059 76 D 4.5399 8.7654 123.6008 56.6696 41.4226 177.0295 77 V 4.3240 7.2455 117.8922 60.0971 31.1695 172.6804 78 P 4.3305 0.0000 0.0000 61.6780 32.8035 176.1768 79 A 4.4773 8.0956 120.5122 50.8751 20.4939 176.2326 80 I 4.9615 8.4014 123.4397 59.5141 38.7039 173.2361 81 I 4.4038 9.0057 126.8789 59.6425 39.0679 174.2325 82 R 4.7309 8.3256 127.7122 54.5950 31.5150 175.1294 83 I 4.4594 8.5851 127.1668 59.3201 40.1879 174.7344 84 D 4.6652 8.6653 127.5362 54.1889 41.6575 176.0806 85 V 4.0144 8.1642 123.5087 62.0147 31.5849 176.0324 86 D 4.4664 8.9694 128.3338 57.1504 41.1581 175.8853 87 D 4.5149 7.6307 114.3944 53.8774 43.7340 174.7790 88 V 4.5142 8.0267 122.1836 58.8754 34.2748 174.1196 89 N 4.4643 8.6525 119.8680 53.1630 38.5779 175.8340 90 E 4.0688 9.0358 124.3541 59.6542 29.3188 179.2300 91 D 4.4460 8.1537 118.6968 56.5297 39.4107 177.9535 92 Y 4.1129 8.0475 120.5273 60.3728 38.9336 176.9500 93 L 4.0593 8.2514 121.4019 58.0219 42.0212 178.9714 94 K 3.9256 8.2980 119.6413 59.2109 32.2021 178.5828 95 W 4.0289 7.8857 128.3969 60.2703 30.3527 177.6983 96 L 2.9993 7.7367 119.2123 57.9281 41.6096 178.6162 97 I 3.7382 7.8819 120.1230 64.4240 36.8097 178.1035 98 E 3.8535 8.0412 119.1420 58.8167 29.5534 177.8428 99 E 4.0519 7.5234 116.2498 56.0953 30.1367 176.0996 100 T 4.7735 6.4722 109.7420 59.1941 70.9319 174.9194 101 K 4.1339 8.5196 123.6555 57.8084 33.3435 176.8197 102 K 4.1582 8.2300 119.8130 57.6381 31.6797 175.2515 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 M 8.15 4.72 0.00 2.21 2.53 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 2 I 8.71 4.94 1.82 0.00 0.00 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 1.44 0.90 0.92 0.00 0.00 3 I 8.92 5.02 1.89 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 1.15 1.03 0.98 0.00 0.00 4 V 9.27 4.95 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 1.09 0.00 0.00 1.25 0.00 0.00 5 Y 9.38 5.39 0.00 2.95 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 6 T 8.52 5.53 4.13 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 1.10 0.00 0.00 7 T 7.87 4.93 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 0.97 0.00 0.00 8 F 8.78 4.51 0.00 2.71 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 9 P 0.00 4.31 0.00 2.14 2.16 0.00 3.47 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 10 D 7.29 4.54 0.00 2.83 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 11 W 8.65 4.00 0.00 3.39 3.42 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 12 E 8.27 3.94 0.00 2.05 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 2.35 2.36 0.00 13 S 8.73 3.98 0.00 3.99 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 14 A 7.34 2.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.18 3.84 0.00 2.06 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 2.45 2.67 0.00 16 K 7.88 3.84 0.00 1.86 1.84 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 17 V 7.58 3.50 1.81 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 1.09 0.00 0.00 0.99 0.00 0.00 18 V 7.62 3.59 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 0.99 0.00 0.00 0.90 0.00 0.00 19 K 8.13 4.01 0.00 2.00 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.64 7.81 20 T 7.82 3.86 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 1.20 0.00 0.00 21 L 8.09 4.01 0.00 1.88 1.74 0.99 0.51 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 22 L 7.99 3.99 0.00 1.88 1.72 0.96 0.89 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 23 K 8.20 3.97 0.00 1.84 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.72 7.81 24 E 8.21 4.21 0.00 1.92 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 2.32 2.63 0.00 25 R 8.01 3.87 0.00 1.97 2.00 0.00 3.07 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 26 L 8.08 4.25 0.00 1.63 1.72 0.96 0.75 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 27 I 7.49 4.72 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.05 0.97 0.00 0.00 28 A 8.48 4.12 0.72 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 0.00 0.00 *30 A 7.83 4.46 1.33 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 31 N 9.31 5.04 0.00 2.71 2.80 0.00 0.00 7.01 6.51 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 32 L 8.71 5.42 0.00 1.69 1.47 0.97 0.88 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 33 R 8.76 4.92 0.00 1.99 2.09 0.00 2.92 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 34 E 9.05 4.65 0.00 2.03 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 2.34 2.71 0.00 35 H 8.62 4.77 0.00 3.27 3.45 0.00 5.42 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.81 4.96 0.00 1.85 1.76 0.00 3.30 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 37 A 9.01 4.92 1.35 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 0.00 0.00 38 F 8.91 5.26 0.00 2.85 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 39 Y 8.34 5.01 0.00 3.12 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 40 W 8.99 4.85 0.00 3.34 3.18 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 41 W 9.80 4.80 0.00 3.49 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 42 E 9.30 3.51 0.00 1.96 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 1.62 1.47 0.00 43 G 8.64 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 44 K 8.06 4.68 0.00 1.88 1.93 0.00 1.50 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.69 1.55 7.81 45 I 7.87 3.93 1.48 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.62 0.00 0.00 46 E 8.75 4.19 0.00 1.16 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 2.13 2.20 0.00 47 E 8.23 4.75 0.00 1.77 1.64 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 1.84 1.47 0.00 48 D 8.74 4.81 0.00 2.72 2.51 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 49 K 8.59 4.64 0.00 1.63 1.72 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 50 E 9.05 4.72 0.00 1.53 1.77 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 2.26 2.24 0.00 51 V 8.57 4.06 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 -0.06 0.00 0.00 -0.37 0.00 0.00 52 G 9.07 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 0.00 0.00 0.00 0.00 53 A 8.94 5.30 1.35 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 0.00 0.00 54 I 9.15 4.82 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.88 1.01 0.00 0.00 55 L 9.33 5.14 0.00 1.65 1.65 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.43 5.12 0.00 1.89 1.90 0.00 2.04 0.00 0.00 1.96 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.55 7.81 57 T 8.33 4.77 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 1.32 0.00 0.00 58 R 8.46 4.40 0.00 1.94 1.97 0.00 3.18 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.58 0.00 59 E 8.91 4.02 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 60 D 8.11 4.60 0.00 2.90 2.82 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 0.00 0.00 0.00 61 L 7.72 4.40 0.00 1.97 1.76 0.92 0.53 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 62 W 8.05 4.58 0.00 3.40 3.22 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 63 E 8.20 3.41 0.00 2.04 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 2.41 2.40 0.00 64 E 7.98 3.84 0.00 1.99 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 2.33 2.32 0.00 65 L 8.17 3.86 0.00 1.82 1.87 0.95 0.76 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 66 K 7.80 3.51 0.00 0.79 1.20 0.00 1.42 0.00 0.00 1.51 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 0.98 7.81 67 E 7.87 3.86 0.00 2.08 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 2.38 2.37 0.00 68 R 7.95 4.04 0.00 2.00 2.01 0.00 3.30 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 69 I 7.97 3.75 1.96 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 1.57 0.54 0.93 0.00 0.00 70 K 7.82 3.95 0.00 1.92 1.85 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 71 E 7.96 4.11 0.00 2.08 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 2.32 2.60 0.00 72 L 7.75 4.34 0.00 1.66 1.73 0.92 1.13 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 73 H 8.16 4.18 0.00 3.30 3.16 0.00 5.76 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 74 P 0.00 4.40 0.00 2.12 2.11 0.00 3.43 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 75 Y 7.80 4.61 0.00 2.75 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 76 D 8.77 4.54 0.00 2.73 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 77 V 7.25 4.32 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 0.93 0.00 0.00 1.09 0.00 0.00 78 P 0.00 4.33 0.00 1.82 1.50 0.00 3.80 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 1.87 1.82 0.00 79 A 8.10 4.48 1.19 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 0.00 0.00 80 I 8.40 4.96 1.98 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 1.30 0.67 1.02 0.00 0.00 81 I 9.01 4.40 2.16 0.00 0.00 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 1.20 0.72 0.95 0.00 0.00 82 R 8.33 4.73 0.00 0.67 0.72 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.14 0.00 83 I 8.59 4.46 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.66 0.87 0.00 0.00 84 D 8.67 4.67 0.00 2.49 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 85 V 8.16 4.01 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 0.78 0.00 0.00 0.96 0.00 0.00 86 D 8.97 4.47 0.00 2.70 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 87 D 7.63 4.51 0.00 2.57 2.47 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 88 V 8.03 4.51 2.13 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 0.86 0.00 0.00 0.99 0.00 0.00 89 N 8.65 4.46 0.00 3.18 3.02 0.00 0.00 6.02 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 90 E 9.04 4.07 0.00 2.04 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 2.44 2.36 0.00 91 D 8.15 4.45 0.00 2.93 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 92 Y 8.05 4.11 0.00 3.08 3.31 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 93 L 8.25 4.06 0.00 1.96 1.92 0.99 0.69 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 94 K 8.30 3.93 0.00 2.00 2.03 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.62 7.81 95 W 7.89 4.03 0.00 3.35 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 96 L 7.74 3.00 0.00 1.43 1.73 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.88 3.74 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 0.87 0.00 0.00 98 E 8.04 3.85 0.00 1.97 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 2.23 2.29 0.00 99 E 7.52 4.05 0.00 1.19 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 1.60 1.58 0.00 100 T 6.47 4.77 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 1.08 0.00 0.00 101 K 8.52 4.13 0.00 1.73 1.84 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.39 7.81 102 K 8.23 4.16 0.00 1.72 1.73 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.