NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4451 8.3049 120.3495 55.0016 33.8248 175.4128 2 N 4.8157 8.0309 112.7662 53.5494 40.0555 174.2684 3 R 4.4292 8.3591 114.6892 57.5669 35.9832 178.8878 4 G 3.2597 8.5233 105.3454 45.4542 0.0000 176.9545 5 A 3.6072 9.0041 134.4308 54.2281 18.8809 178.7764 6 L 4.1533 8.9235 118.0602 56.5757 42.5881 178.0428 7 I 4.0551 8.6130 120.8008 64.3558 37.0980 178.0948 8 K 4.9631 7.8688 120.0405 58.6099 31.7359 178.5185 9 L 4.1945 7.3912 117.7983 55.3115 41.5746 178.1898 10 V 4.0391 7.5774 119.1870 64.8490 32.3145 177.4300 11 E 4.1742 7.5464 117.5897 58.7129 29.1381 179.3904 12 S 4.0595 7.9009 113.0033 59.0968 62.3592 174.9899 13 R 4.2133 8.0436 119.6302 56.6901 29.2781 176.7465 14 Y 4.5363 7.4137 113.1269 57.0672 40.7094 176.8548 15 V 3.4440 6.8208 118.1032 61.7497 32.0964 176.0316 16 R 4.8246 7.3835 119.6502 57.5087 32.6445 175.8913 17 T 4.3469 7.5999 118.9451 63.0142 70.2453 173.7413 18 D 4.7011 8.3541 117.1397 52.6588 39.7423 175.6637 19 L 4.5002 7.5003 120.3055 52.5999 42.2639 174.5094 20 P 4.1816 0.0000 0.0000 63.2153 31.7224 176.7760 21 E 3.8857 8.3469 123.6318 54.8172 28.7274 176.6565 22 F 5.6211 6.6329 125.0109 56.0263 39.1404 176.0765 23 R 4.9101 9.5530 120.1770 56.8063 30.8592 174.2384 24 P 4.3838 0.0000 0.0000 64.2465 27.4144 174.3394 25 G 4.7125 8.1508 116.5240 44.2664 0.0000 173.1582 26 D 4.7873 8.4673 118.5788 51.9263 41.4634 173.8078 27 T 4.7717 7.3385 119.0677 61.1318 70.3200 172.1700 28 V 4.6861 7.5827 119.1402 62.9410 33.8680 171.8784 29 R 4.4963 8.6695 124.4413 55.4423 32.6408 174.3905 30 V 4.6534 8.1920 115.3569 61.7418 33.0854 174.7516 31 S 4.8154 8.7502 114.6840 58.4341 66.2067 177.0485 32 Y 4.1618 7.9256 111.2219 56.9390 38.2028 178.7541 33 K 4.3469 8.6204 111.5410 56.7798 28.3684 174.1886 34 V 3.6959 7.1547 118.4101 62.7030 32.0717 175.2004 35 K 4.3452 8.9028 124.8458 56.8220 35.2840 174.8817 36 E 3.4770 9.0965 117.9293 58.2293 26.0593 175.2654 37 G 4.1726 8.2534 113.8801 45.6690 0.0000 170.9688 38 N 4.3467 7.3663 115.5313 52.5029 40.4212 174.1515 39 R 4.9811 8.4807 120.2897 54.8552 28.9116 174.8345 40 T 4.5496 6.9182 109.2093 60.4273 72.4969 169.8628 41 R 3.7561 8.6993 128.8507 55.7062 31.0682 175.1681 42 I 5.4705 8.1577 118.0292 58.4669 39.2142 174.8005 43 Q 4.2398 8.3008 129.8886 56.0964 30.2600 175.7616 44 D 5.0313 8.4838 125.7868 53.8292 43.3658 176.1685 45 F 4.5131 7.9963 115.1600 57.8569 40.1992 174.9925 46 E 4.1120 7.8700 122.1165 57.0448 29.0579 176.0713 47 G 4.2359 8.1351 112.2102 45.5433 0.0000 169.4291 48 I 4.6713 8.5423 113.9811 59.2605 40.5008 174.8636 49 V 4.3031 7.5535 121.9495 60.8353 32.7614 174.0183 50 I 3.9463 8.7468 122.7651 61.9383 39.6545 176.7399 51 R 4.2500 6.6655 116.4450 56.4641 32.1445 176.7546 52 I 4.4297 7.9868 120.4907 59.7833 39.5150 176.0076 53 R 4.3820 8.2016 131.8774 54.9511 27.7120 176.9979 54 R 4.1051 7.7034 117.4011 57.1567 31.3982 178.2570 55 N 4.8923 8.7477 122.7305 52.5498 41.0709 175.9189 56 G 3.9254 8.6051 112.7756 46.3622 0.0000 173.9688 57 F 4.4255 9.2965 122.5918 61.3271 39.8748 174.1238 58 N 4.2144 7.8394 120.7184 52.4384 37.4191 176.2230 59 T 4.7438 8.0407 109.2273 63.0169 69.7965 174.4839 60 T 5.2449 8.7345 115.2158 58.3851 70.6494 173.3169 61 F 4.9867 9.1957 125.3243 57.2859 40.3466 173.8259 62 T 4.3745 8.4065 107.3667 59.9963 72.1021 173.1623 63 V 4.7943 8.0877 123.8147 61.4268 34.6395 174.2371 64 R 5.7883 9.0776 125.1993 53.8849 34.0499 173.6289 65 K 4.3115 7.9736 122.9465 56.4629 35.5081 173.8517 66 V 5.1229 8.3403 118.9548 59.2643 31.3004 174.1080 67 S 4.1103 8.1942 119.2291 58.3698 62.6149 174.8723 68 Y 3.9970 8.0570 119.3693 57.3675 36.2282 170.6159 69 G 3.9327 8.6666 108.6996 46.9284 0.0000 172.9961 70 V 4.5178 10.1164 118.8409 60.7434 35.3552 174.3401 71 G 4.4631 8.5740 111.2108 44.8013 0.0000 173.2445 72 V 4.7459 8.7685 122.5082 61.0275 35.6785 174.0411 73 E 5.1683 8.7426 124.6281 55.2006 33.0009 175.2385 74 R 4.3284 9.0168 123.8758 54.5945 33.2661 175.1637 75 I 4.3025 6.9497 119.1616 59.6557 41.4263 174.9579 76 F 5.0690 8.1100 123.4792 55.1749 41.6023 174.4026 77 P 4.1048 0.0000 0.0000 64.1621 31.2799 177.1709 78 L 4.1329 8.8110 117.9398 54.8099 41.1796 173.3360 79 H 5.0321 7.6677 113.2325 55.8058 33.7251 170.2485 80 S 4.4834 9.6092 120.7882 56.9406 58.9182 167.9223 81 P 4.0747 0.0000 0.0000 65.4491 31.8680 174.6837 82 L 3.8594 7.5493 117.9320 55.4440 41.4622 177.2847 83 I 4.3707 7.6334 124.8036 61.0285 40.2626 174.9387 84 Q 3.8899 8.2421 120.4549 54.9570 30.7408 178.2966 85 K 4.5165 8.3262 117.2838 55.5547 33.5301 176.1266 86 I 3.4998 8.0553 118.3063 61.5199 38.0129 174.7270 87 D 4.8038 8.4257 126.7839 53.6064 40.8900 175.6108 88 I 3.7739 8.5849 121.0227 62.1485 36.6663 177.4846 89 V 4.2599 6.1876 127.1404 61.3342 31.7975 175.6897 90 Q 3.5496 8.6231 123.8133 59.3376 29.0540 181.2888 91 R 3.5726 9.6581 114.5334 53.1469 31.2175 178.9818 92 G 3.6376 8.5219 109.6117 44.3022 0.0000 173.9616 93 R 3.7268 9.0733 112.9289 56.5287 28.7868 177.2871 94 A 4.3336 7.4749 121.6985 52.3650 16.2292 180.0697 95 R 4.2802 8.3070 118.7834 56.3634 29.6494 176.8202 96 R 4.5234 8.6204 116.3348 55.3289 33.8738 173.4937 97 A 3.9163 8.7087 126.7800 54.1840 17.6267 179.3303 98 K 4.2381 8.7439 125.4842 55.5646 31.5344 176.3802 99 L 4.9962 8.1088 125.6770 56.0143 41.3352 179.0590 100 Y 4.1320 8.3631 120.3779 61.8872 37.9493 178.7675 101 F 4.2876 9.0804 115.1268 60.0740 37.7119 177.5481 102 I 3.0431 5.8924 113.5262 63.3162 37.6355 176.7749 103 R 3.7604 8.2313 118.5880 58.1669 29.5000 177.6764 104 N 4.1664 5.9522 125.2677 56.5899 40.1851 175.9050 105 L 4.6556 7.9390 117.5095 53.5823 43.4371 174.1753 106 S 4.7063 8.5540 115.3453 56.8249 67.0743 172.3572 107 D 5.1641 7.8443 123.5190 52.4117 34.7928 178.9956 108 R 4.4917 7.2631 118.7848 56.1587 30.7599 177.9382 109 E 4.1220 9.1839 118.4341 59.1435 29.2214 177.5969 110 I 3.6327 7.3993 119.6073 64.9227 37.5821 176.2570 111 R 4.7065 7.6939 123.9746 54.5840 27.4958 175.0211 112 R 4.5493 7.6247 127.5602 56.8542 31.8204 176.2101 113 K 4.4808 8.4773 116.7087 56.5751 33.8779 176.4854 114 L 4.7910 7.5660 116.9679 53.0075 41.7867 175.3175 115 R 4.2261 7.6761 119.4927 54.9694 31.8007 176.3154 116 A 4.1411 8.3465 121.9891 52.6635 19.1228 177.9986 117 D 4.7902 8.3231 123.4133 51.7641 40.1191 176.3539 118 R 4.0398 8.1662 122.5991 58.7919 30.5633 178.7236 119 K 3.8469 8.3180 118.4128 59.5646 31.9735 177.6519 120 R 4.6006 8.2635 115.5241 56.2278 30.3735 176.9596 121 I 4.7279 7.4679 117.0539 62.3732 41.1488 177.3625 122 D 4.1409 9.6358 118.4397 56.5106 40.7075 177.3261 123 Q 4.7484 7.4060 113.7080 56.0319 29.0068 176.1140 124 D 4.7096 9.3973 119.6304 56.9970 43.2331 177.9140 125 R 4.3247 8.0422 113.8889 56.0783 30.2624 176.4920 126 A 4.5903 8.0082 120.7439 52.0859 21.0901 177.1208 127 A 4.7709 7.3896 118.8030 52.0350 19.4195 176.8652 128 E 4.0388 8.1084 116.8811 58.8149 30.4828 177.4627 129 R 3.2855 7.0727 112.8650 57.9887 27.3788 175.4168 130 A 4.6276 7.8918 135.0000 51.0272 19.6311 177.8778 131 A 4.1302 7.7933 125.1095 53.9776 17.2320 178.0524 132 K 4.5588 8.3498 120.0735 57.2692 32.0997 179.0500 133 E 3.9058 7.7938 121.3555 57.7530 29.5797 176.3731 134 E 3.5898 7.3991 118.6029 58.5019 29.9328 176.5049 135 A 3.6210 10.1481 129.5145 52.3594 14.6086 178.1478 136 Q 4.5971 7.6322 115.8962 57.1530 32.3820 174.2759 137 K 4.4300 7.7522 111.8741 57.3652 37.4486 175.6805 *138 A 4.1104 7.9747 126.0771 52.3034 18.7921 176.1174 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 8.30 4.45 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 8.03 4.82 0.00 2.79 2.79 0.00 0.00 6.82 6.78 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 3 R 8.36 4.43 0.00 1.79 1.85 0.00 3.28 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 4 G 8.52 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 9.00 3.61 1.34 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 6 L 8.92 4.15 0.00 1.81 1.68 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.61 4.06 2.13 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 1.52 0.84 0.92 0.00 0.00 8 K 7.87 4.96 0.00 1.83 1.90 0.00 1.98 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.41 7.81 9 L 7.39 4.19 0.00 1.78 1.72 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.58 4.04 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 1.04 0.00 0.00 0.99 0.00 0.00 11 E 7.55 4.17 0.00 2.24 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 2.37 2.37 0.00 12 S 7.90 4.06 0.00 3.93 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.04 4.21 0.00 1.57 1.75 0.00 3.21 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.66 0.00 14 Y 7.41 4.54 0.00 2.66 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 15 V 6.82 3.44 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 0.64 0.00 0.00 0.87 0.00 0.00 16 R 7.38 4.82 0.00 1.77 2.12 0.00 3.65 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 17 T 7.60 4.35 4.21 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 0.00 0.00 0.00 1.18 0.00 0.00 18 D 8.35 4.70 0.00 2.80 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 19 L 7.50 4.50 0.00 1.58 1.66 0.99 1.06 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 20 P 0.00 4.18 0.00 2.23 2.08 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 21 E 8.35 3.89 0.00 1.77 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 2.10 2.07 0.00 22 F 6.63 5.62 0.00 3.20 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 9.55 4.91 0.00 2.15 2.15 0.00 3.01 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 24 P 0.00 4.38 0.00 2.17 2.20 0.00 3.72 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 2.07 2.32 0.00 25 G 8.15 4.71 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 0.00 0.00 0.00 26 D 8.47 4.79 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.34 4.77 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 0.89 0.00 0.00 28 V 7.58 4.69 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 0.96 0.00 0.00 1.06 0.00 0.00 29 R 8.67 4.50 0.00 1.66 1.73 0.00 3.36 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 30 V 8.19 4.65 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 0.75 0.00 0.00 0.98 0.00 0.00 31 S 8.75 4.82 0.00 3.62 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 32 Y 7.93 4.16 0.00 3.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.62 4.35 0.00 2.00 2.21 0.00 1.73 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.22 1.36 7.81 34 V 7.15 3.70 2.03 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 0.82 0.00 0.00 0.94 0.00 0.00 35 K 8.90 4.35 0.00 1.85 1.68 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 36 E 9.10 3.48 0.00 2.16 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 2.31 2.28 0.00 37 G 8.25 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 38 N 7.37 4.35 0.00 2.82 2.88 0.00 0.00 6.94 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 39 R 8.48 4.98 0.00 1.83 1.98 0.00 3.22 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 40 T 6.92 4.55 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 41 R 8.70 3.76 0.00 1.97 1.98 0.00 3.36 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 42 I 8.16 5.47 1.97 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 1.24 0.89 1.00 0.00 0.00 43 Q 8.30 4.24 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.72 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 44 D 8.48 5.03 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.00 4.51 0.00 3.04 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 46 E 7.87 4.11 0.00 1.95 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 0.00 2.24 2.35 0.00 47 G 8.14 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 0.00 0.00 0.00 0.00 48 I 8.54 4.67 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.97 0.00 0.00 49 V 7.55 4.30 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 0.73 0.00 0.00 1.12 0.00 0.00 50 I 8.75 3.95 1.50 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.27 0.08 0.00 0.00 51 R 6.67 4.25 0.00 2.03 1.69 0.00 2.77 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 52 I 7.99 4.43 1.96 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.65 0.98 0.00 0.00 53 R 8.20 4.38 0.00 1.93 1.91 0.00 3.16 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 54 R 7.70 4.11 0.00 1.81 1.92 0.00 3.26 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 55 N 8.75 4.89 0.00 2.62 2.68 0.00 0.00 7.18 7.98 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 56 G 8.61 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.30 4.43 0.00 2.92 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 58 N 7.84 4.21 0.00 2.57 2.16 0.00 0.00 6.00 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 59 T 8.04 4.74 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 1.38 0.00 0.00 60 T 8.73 5.24 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 61 F 9.20 4.99 0.00 3.31 3.25 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 62 T 8.41 4.37 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 63 V 8.09 4.79 1.76 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 1.17 0.00 0.00 0.65 0.00 0.00 64 R 9.08 5.79 0.00 1.76 1.61 0.00 3.39 0.00 0.00 3.11 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 65 K 7.97 4.31 0.00 1.84 1.45 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.15 1.19 7.81 66 V 8.34 5.12 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 0.94 0.00 0.00 0.88 0.00 0.00 67 S 8.19 4.11 0.00 3.69 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 68 Y 8.06 4.00 0.00 3.20 3.02 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 69 G 8.67 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 10.12 4.52 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 0.96 0.00 0.00 0.95 0.00 0.00 71 G 8.57 4.46 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 0.00 72 V 8.77 4.75 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 1.12 0.00 0.00 0.98 0.00 0.00 73 E 8.74 5.17 0.00 1.80 1.71 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 2.16 2.31 0.00 74 R 9.02 4.33 0.00 0.67 0.66 0.00 2.90 0.00 0.00 2.80 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.00 75 I 6.95 4.30 1.63 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 1.18 0.09 0.81 0.00 0.00 76 F 8.11 5.07 0.00 3.74 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 77 P 0.00 4.10 0.00 2.01 2.02 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 78 L 8.81 4.13 0.00 1.86 1.82 0.80 0.86 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 79 H 7.67 5.03 0.00 3.27 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 9.61 4.48 0.00 3.99 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 81 P 0.00 4.07 0.00 0.89 1.00 0.00 3.49 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.96 0.00 82 L 7.55 3.86 0.00 1.42 1.50 0.88 0.92 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 83 I 7.63 4.37 1.87 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 1.28 0.54 0.99 0.00 0.00 84 Q 8.24 3.89 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.51 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 85 K 8.33 4.52 0.00 1.76 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.29 1.60 7.81 86 I 8.06 3.50 1.89 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 1.49 0.76 0.97 0.00 0.00 87 D 8.43 4.80 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.58 3.77 2.09 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 1.23 0.94 0.91 0.00 0.00 89 V 6.19 4.26 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 0.79 0.00 0.00 0.93 0.00 0.00 90 Q 8.62 3.55 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 5.64 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 91 R 9.66 3.57 0.00 1.92 2.05 0.00 3.28 0.00 0.00 3.24 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 92 G 8.52 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 93 R 9.07 3.73 0.00 1.97 2.03 0.00 3.40 0.00 0.00 3.40 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 94 A 7.47 4.33 1.43 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 95 R 8.31 4.28 0.00 1.83 1.98 0.00 3.43 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 0.00 96 R 8.62 4.52 0.00 1.63 1.87 0.00 3.37 0.00 0.00 3.43 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 97 A 8.71 3.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 8.74 4.24 0.00 1.95 2.30 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.26 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.91 1.75 7.81 99 L 8.11 5.00 0.00 1.85 2.14 0.79 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.36 4.13 0.00 3.10 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 0.00 101 F 9.08 4.29 0.00 3.23 3.37 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 0.00 102 I 5.89 3.04 1.58 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.43 0.31 0.00 0.00 103 R 8.23 3.76 0.00 1.99 1.84 0.00 3.21 0.00 0.00 3.39 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 104 N 5.95 4.17 0.00 2.61 2.97 0.00 0.00 6.94 7.73 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 0.00 105 L 7.94 4.66 0.00 1.67 1.63 0.97 1.11 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 0.00 106 S 8.55 4.71 0.00 3.94 4.05 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 0.00 107 D 7.84 5.16 0.00 2.90 2.17 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 0.00 108 R 7.26 4.49 0.00 2.04 2.19 0.00 2.78 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 109 E 9.18 4.12 0.00 2.11 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 2.37 2.77 0.00 110 I 7.40 3.63 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.89 0.00 0.00 111 R 7.69 4.71 0.00 2.07 1.98 0.00 3.13 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 112 R 7.62 4.55 0.00 1.91 2.05 0.00 3.03 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 1.68 1.51 0.00 113 K 8.48 4.48 0.00 2.15 2.08 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.66 7.81 114 L 7.57 4.79 0.00 1.60 1.73 0.87 1.11 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 0.00 115 R 7.68 4.23 0.00 1.82 1.92 0.00 3.38 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 116 A 8.35 4.14 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 0.00 117 D 8.32 4.79 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.17 4.04 0.00 1.92 2.24 0.00 3.22 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 119 K 8.32 3.85 0.00 1.79 2.27 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.51 7.81 120 R 8.26 4.60 0.00 1.95 1.94 0.00 3.20 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 121 I 7.47 4.73 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 1.45 1.60 0.92 0.00 0.00 122 D 9.64 4.14 0.00 2.81 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 0.00 123 Q 7.41 4.75 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 124 D 9.40 4.71 0.00 2.72 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 0.00 125 R 8.04 4.32 0.00 1.80 1.95 0.00 3.32 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 126 A 8.01 4.59 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 0.00 127 A 7.39 4.77 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 0.00 128 E 8.11 4.04 0.00 2.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 129 R 7.07 3.29 0.00 1.85 2.30 0.00 3.36 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 130 A 7.89 4.63 1.29 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 0.00 0.00 131 A 7.79 4.13 1.29 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 0.00 0.00 132 K 8.35 4.56 0.00 1.83 1.81 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.52 7.81 133 E 7.79 3.91 0.00 1.88 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 2.32 2.26 0.00 134 E 7.40 3.59 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 135 A 10.15 3.62 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 0.00 136 Q 7.63 4.60 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 137 K 7.75 4.43 0.00 1.73 1.76 0.00 2.16 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.43 7.81 *138 A 7.97 4.11 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 * Residues marked with a * may have inaccurate shift predictions.