NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.5501 8.0748 114.6397 62.1617 68.3473 173.7083 4 R 4.0521 8.4641 124.4467 56.1131 30.6718 175.2269 5 L 4.2562 8.3204 119.5253 54.4400 45.8597 174.9159 6 E 4.3260 8.5834 127.9656 55.1666 27.9039 177.2479 7 W 4.3594 8.3643 121.1064 59.2107 28.5255 178.2327 8 A 3.4733 6.8306 121.1509 54.4515 17.3642 179.4234 9 K 3.8982 7.6412 115.6768 59.0947 32.4754 178.8764 10 A 4.3560 7.8693 120.4872 53.8476 19.7559 177.7151 11 S 4.5807 8.5090 112.6088 54.6674 62.9370 172.0802 12 P 4.6318 0.0000 0.0000 64.5381 31.3856 177.5196 13 D 4.3774 8.1670 117.1297 57.1556 40.5946 178.3040 14 A 4.0828 7.8237 120.0355 55.4845 18.5286 178.7957 15 Y 4.2898 7.9245 116.2319 60.8192 39.1834 177.5671 16 A 4.0046 8.2858 121.5782 54.8749 17.8825 179.4511 17 A 3.9002 7.7123 115.5367 53.2052 18.0701 179.1219 *19 L 4.4289 7.9551 122.6716 56.1421 43.7964 179.6516 20 G 3.6677 7.9480 104.8848 47.2684 0.0000 175.8416 21 L 4.0701 7.6278 120.5564 57.9482 41.5854 179.2879 22 E 4.1765 8.2579 118.1138 59.2078 29.2574 179.3624 23 K 3.9527 8.1208 117.6961 59.3294 32.5476 178.8320 24 A 4.1768 8.0193 121.2607 55.1922 18.4014 179.6646 25 L 4.0805 8.2184 117.6596 58.4327 40.4248 179.0914 26 A 4.0328 8.1018 121.4379 54.6068 18.3454 178.7024 27 K 4.2298 7.5897 113.6604 55.8453 32.8860 177.2174 28 A 4.4229 6.6251 122.5534 51.2434 18.9949 178.2568 29 G 3.6595 8.9469 110.1278 48.0674 0.0000 174.5372 30 L 3.8498 7.9549 120.9913 55.3132 42.4450 177.1903 31 E 3.9921 8.9844 124.7209 56.9276 30.9315 178.0730 32 R 3.8287 8.6055 123.2524 59.1709 30.1402 176.7368 33 P 4.2544 0.0000 0.0000 65.7530 31.3828 178.2604 34 L 4.0167 7.8706 118.4758 58.1409 42.0223 178.8983 35 I 3.7570 7.5151 119.6452 64.4406 36.9304 178.2782 36 E 3.8947 8.2597 119.4179 59.1914 29.2010 179.4465 37 L 4.0006 7.7254 119.1204 57.7552 41.7129 179.6240 38 V 3.5964 7.7166 117.8321 66.2196 31.4892 177.6823 39 Y 3.8897 8.5203 116.7124 60.9082 37.7361 178.3185 40 L 4.0073 8.2642 121.3638 58.2965 42.2913 178.9329 41 R 4.1298 8.4423 119.0564 59.7457 29.9095 178.5794 42 T 3.8649 7.9692 115.5148 66.8922 68.4765 176.9096 43 S 4.1691 8.2002 116.9582 61.4106 62.7494 176.7436 44 Q 4.0152 8.1770 120.9066 59.1866 28.3294 178.7576 45 I 3.7401 7.5568 119.3077 64.4180 37.3227 177.5561 46 N 4.6950 8.3286 114.3548 52.7231 38.7799 175.4936 47 G 3.7168 7.6706 108.0252 46.6397 0.0000 173.8084 48 C 4.4305 8.1146 121.6219 57.4481 31.0557 173.8365 49 A 4.0543 8.5152 130.5558 54.9125 17.8012 178.2083 50 Y 4.0059 8.0492 117.0549 61.2470 39.0567 177.8071 51 C 4.2811 8.1916 115.6046 62.6580 28.5777 175.6057 52 V 3.8319 7.9977 120.0070 66.0904 30.9863 177.9078 53 N 4.2351 7.8832 112.4287 55.3770 38.6445 175.6646 *55 H 4.5732 8.1813 117.2703 55.4732 31.2365 175.4977 56 A 3.9891 8.4231 121.8234 55.3018 18.1057 179.1631 57 N 4.2315 8.2355 114.9877 56.8433 38.4249 177.4707 58 D 4.2846 7.9419 118.1248 56.9357 41.0689 178.1717 59 A 4.1331 7.8362 120.5059 55.2705 18.2180 179.4051 60 R 4.3627 7.8974 117.6486 57.7811 30.3709 177.6509 61 K 3.9655 7.5227 116.9800 57.9301 32.4283 177.1979 62 A 3.8854 8.4460 125.5807 50.9687 16.6120 177.9741 63 G 4.0745 7.5313 102.0013 44.6935 0.0000 170.7934 64 E 3.9754 9.6376 121.2007 56.7280 30.1850 173.4471 65 T 4.6274 8.1592 119.3209 59.8411 69.7581 173.5233 66 E 3.8621 9.0847 129.8488 59.8429 29.2929 179.2856 67 Q 3.7979 7.8685 118.8193 59.2211 29.0077 178.5553 68 R 3.8157 7.9637 119.1487 59.1518 29.8768 178.9392 69 L 4.1131 7.8855 117.5103 57.8851 41.7601 179.0828 70 Q 4.2123 8.1302 116.0764 58.5807 29.1260 177.5367 71 A 4.4522 8.1018 121.7465 53.6262 18.8149 178.9316 72 L 4.0435 8.0054 119.7573 58.6092 41.9673 178.8245 73 C 4.5487 8.3043 111.8188 60.2504 29.7090 173.8768 74 V 4.5112 8.0532 116.0203 60.3027 32.7346 177.7548 75 W 4.5202 8.3624 119.8694 59.7663 28.0612 178.0213 76 Q 3.1857 6.9639 116.7540 58.0207 27.9954 177.2671 77 E 4.6195 7.6182 115.6325 56.1222 29.9816 175.6018 78 T 4.4861 7.5409 107.5026 59.3487 71.5281 171.6592 79 P 4.6647 0.0000 0.0000 63.0516 31.5399 176.1025 80 Y 4.4605 7.1906 115.7232 59.3505 38.1833 175.4222 81 F 5.0936 7.9112 118.2706 55.3249 41.8668 175.9398 82 T 4.2210 8.7995 115.0247 60.7730 70.7394 173.8695 83 P 4.2110 0.0000 0.0000 66.0191 31.5048 178.7215 84 R 3.4646 7.8348 116.4783 59.5515 29.9156 178.2578 85 E 4.0473 8.1180 118.2351 59.4878 29.4309 179.6303 86 R 3.4096 8.4530 118.3787 58.8471 29.9661 178.9618 87 A 4.0865 8.1395 120.6480 55.0350 18.3500 179.5778 88 A 3.9735 8.0738 119.0422 55.1981 18.4151 179.9111 89 L 3.6300 7.9425 117.7409 57.3968 41.3923 179.5247 90 A 4.3644 7.9876 121.0116 54.9622 18.3981 179.4031 91 W 4.2781 8.1294 127.0244 61.0156 30.7662 178.2461 92 T 3.8454 8.2139 115.6447 66.6658 67.6830 176.4370 93 E 4.0072 8.1958 119.0333 59.6279 29.7413 179.0945 94 Q 4.1078 8.1367 117.9202 59.0727 28.5806 178.9332 95 L 3.8876 7.6583 118.0927 56.9054 41.7685 178.7076 96 A 4.1092 7.9063 120.4829 54.2475 18.7636 178.9286 97 R 4.5828 7.4738 116.3984 55.7760 31.0638 178.5911 98 L 3.9154 7.8636 123.0135 57.9999 42.4876 178.3954 99 S 4.2397 8.0224 111.4183 60.1094 62.8502 174.4131 100 Q 4.3719 9.0617 119.1084 55.1310 29.2407 175.5752 101 G 3.9860 6.6334 104.7608 44.3554 0.0000 172.0631 102 A 4.1393 7.8237 122.5128 51.3761 18.9528 177.3661 103 L 4.0645 8.2067 123.2888 53.9888 43.0735 175.2807 104 P 4.2204 0.0000 0.0000 63.0414 31.8285 177.2081 105 H 4.3660 8.0636 117.6462 57.9277 29.2537 176.2983 106 G 3.9925 7.9524 107.3810 45.5039 0.0000 175.0828 107 L 4.1894 7.9955 122.8001 58.0618 42.0105 178.6008 108 L 3.7118 8.1075 119.8848 58.2735 41.8759 178.5623 109 D 4.3474 8.0374 117.3865 57.0276 41.0385 178.2545 110 E 4.3136 8.0506 119.3088 59.3685 29.5007 179.3004 111 L 4.1716 7.8893 119.7364 58.6303 40.2203 179.1210 112 R 3.9980 8.0432 119.1144 59.0271 30.0067 177.7625 113 E 4.0897 7.9443 117.0217 58.2778 29.5341 176.9403 114 H 4.6046 8.1783 114.4428 55.2550 31.1773 174.1747 115 F 5.0286 7.7464 116.3562 54.6631 42.4606 174.8476 116 D 4.6940 8.8060 124.6311 53.0395 41.2735 177.5065 117 D 4.3308 8.4395 119.5424 57.1040 41.0909 178.4194 118 K 4.0214 8.0718 119.7536 59.8103 32.1781 178.3408 119 E 4.0961 8.6551 118.6414 58.6731 30.2890 177.7383 120 I 4.0278 7.5370 119.2594 59.7708 35.3046 174.9569 121 A 4.6215 7.2809 121.9702 52.5634 23.3848 178.7333 122 E 3.9538 8.4180 115.6643 59.4003 29.4119 179.0235 123 L 4.0150 8.1475 120.7660 58.7762 42.0210 179.3386 124 T 4.0884 7.9441 114.9479 66.2761 68.3733 176.4312 125 L 3.9538 8.4031 122.7060 57.9934 42.0522 178.7964 126 A 4.2387 8.3734 121.0066 55.3890 18.4130 179.6933 127 V 3.4980 8.1226 116.9242 66.4347 31.7028 178.4703 128 S 4.1057 8.4789 114.9321 61.3137 62.6250 176.6232 129 A 3.9560 8.2112 123.7948 55.1502 18.2545 179.5569 130 I 3.5322 7.7110 117.4213 64.1037 37.7903 177.6177 131 N 4.2794 8.1315 117.2243 56.3169 38.2775 177.2582 132 A 3.8860 7.7895 121.5850 54.9410 18.4899 179.4855 133 W 4.5678 8.5788 117.8508 60.4296 29.1076 178.4385 134 N 4.4612 9.0039 116.4501 56.5323 37.9469 177.7035 135 R 3.8423 7.8875 119.2006 59.0918 29.8593 179.1538 136 F 3.8042 7.8015 116.5604 60.1602 38.8947 177.6384 137 G 3.9264 8.3619 104.4812 47.9605 0.0000 175.6599 138 V 3.9513 8.0081 120.4256 65.3273 31.6497 178.6335 139 G 3.5009 7.7312 103.2134 45.9500 0.0000 173.1151 *141 G 3.5476 8.0169 108.6447 45.0117 0.0000 172.7950 *143 Q 4.1949 8.4032 123.3504 54.8029 30.0706 173.6803 144 P 4.6032 0.0000 0.0000 63.2160 31.3256 176.3297 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 3 T 8.07 4.55 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 1.25 0.00 0.00 4 R 8.46 4.05 0.00 1.95 1.98 0.00 3.32 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 1.62 1.87 0.00 5 L 8.32 4.26 0.00 1.63 1.64 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.58 4.33 0.00 2.04 1.78 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 2.34 2.27 0.00 7 W 8.36 4.36 0.00 3.76 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 8 A 6.83 3.47 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.64 3.90 0.00 1.82 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.34 7.81 10 A 7.87 4.36 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 11 S 8.51 4.58 0.00 3.91 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 12 P 0.00 4.63 0.00 2.23 2.13 0.00 3.97 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 13 D 8.17 4.38 0.00 2.74 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 14 A 7.82 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.92 4.29 0.00 2.55 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 16 A 8.29 4.00 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 17 A 7.71 3.90 1.39 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 0.00 0.00 *19 L 7.96 4.43 0.00 1.76 1.69 0.62 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.95 3.67 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 0.00 0.00 0.00 21 L 7.63 4.07 0.00 1.85 1.82 0.80 0.83 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 22 E 8.26 4.18 0.00 2.30 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 2.98 2.60 0.00 23 K 8.12 3.95 0.00 1.89 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.65 7.81 24 A 8.02 4.18 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.22 4.08 0.00 1.92 1.98 1.00 0.98 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 26 A 8.10 4.03 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 27 K 7.59 4.23 0.00 1.78 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.69 7.81 28 A 6.63 4.42 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 29 G 8.95 3.66 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 0.00 0.00 0.00 30 L 7.95 3.85 0.00 1.82 1.64 0.94 0.77 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 31 E 8.98 3.99 0.00 2.12 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 2.44 2.48 0.00 32 R 8.61 3.83 0.00 1.89 1.90 0.00 3.17 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 33 P 0.00 4.25 0.00 2.21 2.12 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 34 L 7.87 4.02 0.00 1.82 1.84 1.06 1.03 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 35 I 7.52 3.76 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 0.59 0.00 0.00 36 E 8.26 3.89 0.00 1.99 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 2.47 2.47 0.00 37 L 7.73 4.00 0.00 1.84 1.67 1.11 0.92 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 38 V 7.72 3.60 2.37 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 1.12 0.00 0.00 0.98 0.00 0.00 39 Y 8.52 3.89 0.00 3.12 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 40 L 8.26 4.01 0.00 1.90 1.78 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.44 4.13 0.00 1.93 1.96 0.00 3.48 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 42 T 7.97 3.86 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 43 S 8.20 4.17 0.00 4.04 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 0.00 44 Q 8.18 4.02 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 45 I 7.56 3.74 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 1.55 0.51 0.92 0.00 0.00 46 N 8.33 4.70 0.00 2.80 2.86 0.00 0.00 7.10 7.72 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 47 G 7.67 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 0.00 0.00 0.00 48 C 8.11 4.43 0.00 3.05 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.52 4.05 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 50 Y 8.05 4.01 0.00 3.03 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 51 C 8.19 4.28 0.00 3.11 3.13 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 0.00 52 V 8.00 3.83 2.18 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 1.10 0.00 0.00 1.05 0.00 0.00 53 N 7.88 4.24 0.00 2.91 2.75 0.00 0.00 7.26 7.18 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 *55 H 8.18 4.57 0.00 3.42 3.46 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.42 3.99 1.39 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 0.00 0.00 57 N 8.24 4.23 0.00 2.74 2.84 0.00 0.00 7.14 8.28 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 58 D 7.94 4.28 0.00 2.62 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 59 A 7.84 4.13 1.39 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 0.00 0.00 60 R 7.90 4.36 0.00 1.99 1.99 0.00 3.21 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 61 K 7.52 3.97 0.00 1.88 1.73 0.00 1.64 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 62 A 8.45 3.89 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 63 G 7.53 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 64 E 9.64 3.98 0.00 2.18 2.28 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 2.25 2.33 0.00 65 T 8.16 4.63 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 1.10 0.00 0.00 66 E 9.08 3.86 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 2.39 2.33 0.00 67 Q 7.87 3.80 0.00 1.86 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 1.16 1.70 0.00 68 R 7.96 3.82 0.00 2.02 1.95 0.00 3.00 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.33 0.00 69 L 7.89 4.11 0.00 1.77 1.78 0.99 0.96 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 70 Q 8.13 4.21 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.67 2.43 0.00 71 A 8.10 4.45 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 0.00 0.00 0.00 0.00 0.00 72 L 8.01 4.04 0.00 2.12 1.83 0.60 1.41 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 73 C 8.30 4.55 0.00 3.22 3.27 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 74 V 8.05 4.51 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 1.05 0.00 0.00 1.09 0.00 0.00 75 W 8.36 4.52 0.00 2.96 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 76 Q 6.96 3.19 0.00 1.51 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.56 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 77 E 7.62 4.62 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 78 T 7.54 4.49 3.60 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 1.41 0.00 0.00 79 P 0.00 4.66 0.00 2.13 2.08 0.00 2.42 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 80 Y 7.19 4.46 0.00 2.46 2.48 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 0.00 81 F 7.91 5.09 0.00 3.15 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 82 T 8.80 4.22 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 1.24 0.00 0.00 83 P 0.00 4.21 0.00 2.17 2.21 0.00 3.62 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 2.14 2.20 0.00 84 R 7.83 3.46 0.00 1.67 1.82 0.00 2.95 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.00 85 E 8.12 4.05 0.00 2.36 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 2.41 2.41 0.00 86 R 8.45 3.41 0.00 2.04 2.24 0.00 3.53 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 87 A 8.14 4.09 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 88 A 8.07 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.94 3.63 0.00 0.27 0.13 -0.23 0.32 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 90 A 7.99 4.36 1.66 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 0.00 0.00 91 W 8.13 4.28 0.00 3.44 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 92 T 8.21 3.85 4.37 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 1.25 0.00 0.00 93 E 8.20 4.01 0.00 2.24 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 2.62 3.11 0.00 94 Q 8.14 4.11 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 95 L 7.66 3.89 0.00 1.41 1.46 -0.10 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.91 4.11 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 97 R 7.47 4.58 0.00 1.76 1.89 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 98 L 7.86 3.92 0.00 1.80 1.58 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.02 4.24 0.00 3.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 9.06 4.37 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 101 G 6.63 3.99 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 0.00 0.00 0.00 102 A 7.82 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 0.00 103 L 8.21 4.06 0.00 1.58 1.58 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.22 0.00 2.22 1.90 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 105 H 8.06 4.37 0.00 3.27 3.49 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.95 3.99 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 0.00 0.00 0.00 107 L 8.00 4.19 0.00 1.99 1.99 1.11 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.11 3.71 0.00 1.98 1.73 0.68 1.33 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 0.00 109 D 8.04 4.35 0.00 2.88 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 0.00 110 E 8.05 4.31 0.00 2.26 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 2.37 2.61 0.00 111 L 7.89 4.17 0.00 1.99 1.84 0.64 -0.69 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 0.00 112 R 8.04 4.00 0.00 2.00 2.16 0.00 3.47 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 113 E 7.94 4.09 0.00 2.05 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 2.29 2.43 0.00 114 H 8.18 4.60 0.00 2.80 2.58 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.75 5.03 0.00 2.84 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 0.00 116 D 8.81 4.69 0.00 2.98 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 0.00 117 D 8.44 4.33 0.00 2.65 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 0.00 118 K 8.07 4.02 0.00 1.82 1.97 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.55 7.81 119 E 8.66 4.10 0.00 2.37 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 2.42 2.49 0.00 120 I 7.54 4.03 1.46 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 1.23 0.57 0.92 0.00 0.00 121 A 7.28 4.62 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 0.00 122 E 8.42 3.95 0.00 2.19 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 2.34 2.43 0.00 123 L 8.15 4.02 0.00 1.48 1.52 0.86 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.94 4.09 4.37 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 1.32 0.00 0.00 125 L 8.40 3.95 0.00 1.88 1.94 0.95 1.02 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 0.00 126 A 8.37 4.24 1.56 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 0.00 0.00 127 V 8.12 3.50 2.23 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 0.91 0.00 0.00 1.03 0.00 0.00 128 S 8.48 4.11 0.00 4.05 3.87 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 0.00 129 A 8.21 3.96 1.56 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 0.00 0.00 130 I 7.71 3.53 0.56 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 1.29 1.01 0.69 0.00 0.00 131 N 8.13 4.28 0.00 2.97 2.81 0.00 0.00 6.90 7.33 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 0.00 132 A 7.79 3.89 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 0.00 133 W 8.58 4.57 0.00 3.51 3.33 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 0.00 134 N 9.00 4.46 0.00 2.86 2.91 0.00 0.00 7.08 7.54 0.00 0.00 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 R 7.89 3.84 0.00 1.76 1.69 0.00 3.18 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 136 F 7.80 3.80 0.00 2.96 2.42 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 0.00 137 G 8.36 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 0.00 138 V 8.01 3.95 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 0.85 0.00 0.00 1.04 0.00 0.00 139 G 7.73 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 *141 G 8.02 3.55 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 0.00 0.00 0.00 *143 Q 8.40 4.19 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 144 P 0.00 4.60 0.00 2.06 1.96 0.00 3.79 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 2.07 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.