NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2683 8.1927 115.4122 58.0726 64.2672 172.8532 3 V 3.9764 8.1938 122.7322 62.0482 30.6037 173.6424 4 Q 4.6516 9.1913 126.9957 55.5247 32.5324 175.2977 5 V 4.8437 7.8800 119.1035 60.8798 35.1072 174.1079 6 G 4.6331 9.0368 115.0599 44.0218 0.0000 172.3619 7 V 5.0347 9.2137 126.8630 61.3181 33.8745 174.5014 8 I 5.3292 8.0770 121.7482 58.1983 40.7527 175.9462 *10 G 4.0843 8.6973 107.6140 46.6000 0.0000 173.1533 11 S 4.7947 8.2497 112.7431 56.2340 66.5612 175.0472 12 K 4.0148 8.7008 119.9569 59.4551 31.8829 179.7090 13 S 4.2230 8.2544 113.2773 61.4776 63.1237 176.0517 14 D 4.2893 8.0515 120.5819 56.3247 40.1350 178.2048 15 W 4.6900 8.1578 129.0463 60.8200 30.6636 177.7545 16 S 4.0673 7.5218 112.7283 61.1080 62.5238 174.8789 17 T 4.1395 7.5497 118.6529 63.7949 68.3246 176.1556 *19 K 3.1895 8.0106 125.2657 56.0411 33.9489 177.7186 20 E 4.0025 7.5479 117.8313 58.9252 29.1511 178.6454 21 C 4.1107 7.7816 118.7178 62.6463 31.6734 174.9626 22 C 3.4617 7.8247 117.5890 62.8763 27.7491 175.7292 23 D 4.3446 8.5310 120.5296 57.5456 40.3023 179.1702 24 I 3.6530 7.2274 118.9472 64.2472 37.0292 178.2998 25 L 3.8685 7.6036 119.8368 57.8999 41.5037 179.3667 26 D 4.4937 8.2951 118.8647 57.6797 40.6215 178.6441 27 N 4.4257 7.9727 115.4533 56.1434 38.6212 176.6178 28 L 4.3812 8.0650 117.7568 54.3646 41.7877 177.4621 29 G 3.8898 7.7437 106.5444 46.2026 0.0000 173.4151 30 I 4.2180 8.0114 121.2980 59.6063 37.9690 176.3153 31 G 4.3318 9.0096 115.2689 46.2660 0.0000 171.7111 32 Y 6.1920 8.2223 121.1977 56.0387 41.4161 173.3985 33 E 4.9637 8.9648 117.0205 54.6869 33.4462 174.2711 34 C 5.9837 8.5121 114.3651 56.0354 32.9998 172.6794 35 E 4.6303 8.5232 120.8096 54.7858 33.3204 173.5011 36 V 4.3465 8.2026 125.0070 61.6438 33.0266 175.2525 37 V 4.2300 8.1444 127.2764 61.2145 34.5386 173.8801 38 S 4.5487 8.6452 123.5510 56.6454 63.3793 174.9694 39 A 4.0230 8.5708 130.7198 55.1561 18.5240 177.9444 40 H 4.6909 7.9453 111.3522 57.6514 29.6831 176.5938 41 R 4.2612 7.9868 117.3828 57.4907 31.0178 176.8791 42 T 4.7127 7.6458 107.1473 59.5944 68.5114 173.1531 43 P 4.2538 0.0000 0.0000 66.6704 32.3321 178.2357 44 D 4.3342 8.0937 118.4877 57.0868 41.0828 179.2278 45 K 4.0569 7.4644 118.6321 56.9466 31.9709 178.2584 *47 F 4.9081 8.1993 117.7398 57.2171 40.9261 177.0348 48 D 4.6131 8.4702 120.8646 56.8319 40.4774 177.5168 49 Y 3.9153 8.6536 120.3402 60.6121 38.5985 178.0042 50 A 4.0772 8.1333 119.5765 55.4698 18.5861 178.8060 51 E 4.0972 8.4588 117.4993 59.3528 29.5614 179.0296 52 T 4.5462 7.8706 109.0315 61.1757 69.6327 176.3950 53 A 3.7208 7.3535 124.8896 55.1560 18.2499 179.2451 54 K 3.9312 7.9790 117.6819 59.6628 32.5267 178.3347 55 E 4.1379 8.0575 114.6138 57.8136 29.8497 177.6976 56 R 4.2588 7.8667 118.1485 56.4673 30.4072 177.2393 57 G 3.9710 8.1428 107.1960 44.8326 0.0000 174.1488 58 L 4.2962 7.3784 119.2885 54.8614 42.1532 176.8671 59 K 4.5313 8.9787 121.0850 57.1879 34.3374 176.9635 60 V 4.7537 7.6368 117.9452 61.2304 35.6485 173.7954 61 I 5.0866 8.6700 126.8332 59.6294 40.3282 174.3636 62 I 4.9768 8.9485 127.9101 59.5693 39.3394 174.4250 63 A 5.1535 9.4368 129.4408 49.9468 21.8388 174.7829 64 G 4.4458 8.6304 109.4805 44.5136 0.0000 172.3844 65 A 4.7290 8.5730 123.9938 51.0270 23.3786 174.8537 66 G 4.4279 8.1873 105.6417 43.7436 0.0000 175.4598 67 G 3.9100 8.7709 108.2043 46.0612 0.0000 176.8660 68 A 4.2899 8.5318 123.4730 51.5270 16.1277 175.4906 69 A 4.3813 8.0717 122.3624 51.6592 18.5572 176.9449 70 H 4.8458 8.3629 118.6287 57.0051 30.5794 177.4458 71 L 4.0661 8.1641 120.8799 57.7522 42.2379 176.2704 72 P 4.4131 0.0000 0.0000 65.6747 31.6236 179.2110 73 G 3.7519 7.7520 102.5817 46.4061 0.0000 175.2258 *75 V 3.9751 7.9476 121.1063 62.5147 33.1397 177.4838 76 A 3.9869 8.1289 122.1944 55.0235 18.3524 179.4030 77 A 3.8843 8.0421 118.0170 54.3641 18.4608 178.2591 78 K 4.3615 7.8340 112.5586 56.1467 33.0929 175.7417 79 T 4.6498 7.3459 112.6281 60.5066 70.3034 173.6451 80 T 4.3157 8.3255 114.9106 61.7709 69.6131 175.1428 81 L 4.2290 7.4909 122.7017 53.8642 42.4749 174.8362 82 P 4.4855 0.0000 0.0000 63.0281 32.8213 175.0295 83 V 4.9431 8.5249 123.2833 61.0891 34.2864 173.7810 84 L 5.2736 9.2983 128.1264 53.0016 44.5454 175.4143 85 G 4.3945 9.5695 111.3889 44.4281 0.0000 172.3531 86 V 4.4822 8.6605 125.3651 60.4445 33.7353 172.8600 87 P 4.8918 0.0000 0.0000 62.2132 32.2729 175.9299 88 V 4.1950 8.6447 126.2427 61.5523 32.6200 175.7068 89 K 3.9988 8.6280 128.8114 56.4496 32.3368 176.4414 90 S 4.4975 8.5861 121.8368 57.6231 64.0778 175.5198 91 S 4.2047 8.6314 117.6323 60.9600 63.4229 175.4288 92 T 4.2147 7.9831 110.1271 63.5029 69.5788 175.7042 93 L 4.5440 7.8078 120.3941 52.9499 41.9879 176.1585 94 N 3.9917 8.8244 114.4165 54.4577 36.7806 175.4766 95 G 3.9701 8.7367 104.0599 46.3792 0.0000 176.3726 96 Q 3.9980 8.1280 120.8986 58.5906 28.4695 178.2541 97 D 4.3026 8.0180 119.7120 56.6762 39.3716 178.3541 98 S 4.3134 8.0953 118.0856 60.2529 62.7880 176.4867 99 L 3.9748 8.0050 122.4744 58.3539 41.8087 179.0775 100 L 4.0569 7.8907 118.8475 57.8691 41.2843 179.7299 101 S 4.1931 8.1197 114.2861 60.7527 62.7333 175.9440 102 I 4.1858 7.2196 121.7795 63.3464 37.8047 178.0879 103 V 3.8564 7.8554 120.3035 62.6137 31.8094 176.7310 104 Q 4.0443 7.2404 119.0236 54.4336 29.2191 173.5644 *106 P 4.1343 0.0000 0.0000 61.8151 32.5403 175.4250 107 A 4.1256 8.3180 121.3686 53.0166 18.6931 176.4129 108 G 3.6729 8.2997 113.4218 45.5412 0.0000 173.9323 109 I 4.4067 7.1506 120.7670 58.6054 39.0686 173.0518 110 P 4.5828 0.0000 0.0000 61.8571 32.4892 175.8764 111 V 4.5236 7.9557 119.0082 60.9350 34.3103 174.6190 112 A 3.9692 8.6901 130.4820 52.2767 18.9927 176.0320 113 T 4.8603 8.0191 119.1368 62.1269 71.5700 173.8218 114 F 4.8070 8.3064 122.6068 54.9836 43.0326 174.7696 115 A 4.1845 8.6376 121.4853 52.0563 18.7593 177.1199 116 I 4.0048 8.1186 121.1110 62.7760 37.1755 174.7423 117 G 3.6679 8.4846 118.1303 46.1749 0.0000 175.1057 *119 A 4.2351 7.8105 119.3582 51.2741 21.1560 179.4416 120 G 4.1275 8.2130 103.0648 46.9482 0.0000 175.6405 121 A 3.9222 7.9894 123.1086 55.0777 18.4643 179.8849 122 K 3.8211 7.8495 116.3008 59.7900 32.1732 179.3151 123 N 4.2791 8.2898 116.4681 55.9046 38.3370 177.3329 124 A 2.8255 7.9315 122.5749 54.7031 18.4019 179.5119 125 A 3.8221 7.4148 118.9428 55.3053 18.4381 179.9360 126 L 3.7747 7.5629 117.0114 57.5406 41.6378 179.5502 127 F 3.9806 8.4693 121.0069 61.0818 39.3496 176.8446 128 A 4.0094 8.4770 120.7220 55.3671 18.1088 179.4867 129 A 3.8861 7.9701 119.2255 55.2842 18.2654 180.0293 130 S 4.0687 7.7048 111.2901 61.0103 62.9133 176.6056 131 I 3.7520 7.3759 124.0530 64.3056 36.9508 178.0167 132 L 3.9784 8.0462 119.2124 56.7279 41.5365 179.2742 133 Q 4.0088 8.0632 118.4459 59.4645 28.2369 178.0013 134 H 4.2047 7.6571 119.1339 58.4659 29.9263 176.0421 135 T 4.5586 7.5385 111.8636 60.9000 68.2431 173.4647 136 D 4.5528 7.6871 119.1263 52.0734 43.2849 175.3628 137 I 3.6921 8.5961 128.6581 64.8067 37.0891 178.1101 138 N 4.3655 8.1930 116.5779 56.2204 38.4073 177.5264 139 I 3.6995 7.9526 120.6571 64.1176 37.2158 178.0153 140 A 3.9749 8.1817 121.9677 55.1707 18.1582 179.5525 141 K 3.8133 8.3526 117.8719 59.7797 32.3637 178.8336 142 A 4.0309 8.3750 121.3916 55.0803 18.2484 179.4002 143 L 3.9567 8.2155 118.7962 58.0037 42.0937 178.9333 144 A 4.0244 8.0014 120.8528 55.2627 18.3331 179.2553 145 E 3.8774 8.4079 117.8588 59.1609 29.6004 178.5628 146 F 3.9742 8.3524 120.7433 61.5385 39.4451 177.3295 147 R 3.9488 8.3339 117.2139 59.1960 29.8181 178.9411 148 A 3.9657 8.2217 120.6503 55.2096 18.3387 179.3658 149 E 3.8525 8.5699 118.5312 59.3283 29.7468 178.9441 150 Q 3.8840 8.0961 118.1139 59.4335 28.4766 178.9361 151 T 3.9712 7.8814 117.6301 66.5585 68.5801 176.7956 152 R 3.9227 8.1572 120.1689 59.4138 29.8761 178.8086 153 F 4.0356 8.3756 119.6168 61.1964 39.3763 176.9568 154 V 3.7112 7.5609 116.3895 65.6069 31.2255 178.0644 155 L 3.9626 7.8337 117.7930 57.3943 41.4990 178.5973 156 E 4.2604 7.9298 116.6393 56.7872 31.0575 176.3696 157 N 4.9157 7.2421 115.4293 50.9442 38.8903 172.3666 158 P 4.2460 0.0000 0.0000 64.5829 32.6215 176.8639 159 D 4.5517 7.8391 118.8855 52.1618 41.2244 173.9592 160 P 4.4199 0.0000 0.0000 63.0378 31.5284 176.0931 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.19 4.27 0.00 4.01 4.06 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 3 V 8.19 3.98 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 0.78 0.00 0.00 0.89 0.00 0.00 4 Q 9.19 4.65 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 5 V 7.88 4.84 2.19 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 1.04 0.00 0.00 0.97 0.00 0.00 6 G 9.04 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.21 5.03 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 1.13 0.00 0.00 0.93 0.00 0.00 8 I 8.08 5.33 1.65 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 1.18 1.77 0.39 0.00 0.00 *10 G 8.70 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.25 4.79 0.00 4.01 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 12 K 8.70 4.01 0.00 1.85 1.93 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.40 7.81 13 S 8.25 4.22 0.00 4.03 4.16 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 0.00 0.00 0.00 0.00 14 D 8.05 4.29 0.00 2.87 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 15 W 8.16 4.69 0.00 3.35 3.20 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 0.00 16 S 7.52 4.07 0.00 3.86 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.55 4.14 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 1.15 0.00 0.00 *19 K 8.01 3.19 0.00 0.79 1.07 0.00 1.16 0.00 0.00 1.52 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 0.78 7.81 20 E 7.55 4.00 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.34 0.00 21 C 7.78 4.11 0.00 2.93 2.80 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 22 C 7.82 3.46 0.00 3.14 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 23 D 8.53 4.34 0.00 2.53 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 24 I 7.23 3.65 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.60 0.00 0.00 25 L 7.60 3.87 0.00 1.38 1.57 0.52 1.03 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 26 D 8.30 4.49 0.00 2.98 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 27 N 7.97 4.43 0.00 2.85 2.94 0.00 0.00 7.16 7.47 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 28 L 8.06 4.38 0.00 1.55 1.66 0.71 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 29 G 7.74 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.01 4.22 2.00 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 1.16 0.61 0.96 0.00 0.00 31 G 9.01 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 0.00 0.00 0.00 0.00 32 Y 8.22 6.19 0.00 3.12 2.93 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 33 E 8.96 4.96 0.00 2.06 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 2.44 0.00 34 C 8.51 5.98 0.00 3.08 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 35 E 8.52 4.63 0.00 1.98 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 2.15 2.25 0.00 36 V 8.20 4.35 2.02 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 0.78 0.00 0.00 0.85 0.00 0.00 37 V 8.14 4.23 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 0.85 0.00 0.00 0.56 0.00 0.00 38 S 8.65 4.55 0.00 4.02 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.57 4.02 1.17 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 40 H 7.95 4.69 0.00 3.15 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.99 4.26 0.00 1.81 1.97 0.00 3.10 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 42 T 7.65 4.71 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 1.20 0.00 0.00 43 P 0.00 4.25 0.00 1.99 2.25 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 44 D 8.09 4.33 0.00 2.70 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 45 K 7.46 4.06 0.00 1.75 1.94 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.50 7.81 *47 F 8.20 4.91 0.00 3.21 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.47 4.61 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.65 3.92 0.00 3.17 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 50 A 8.13 4.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.46 4.10 0.00 2.21 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 2.28 2.44 0.00 52 T 7.87 4.55 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 1.25 0.00 0.00 53 A 7.35 3.72 1.24 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 54 K 7.98 3.93 0.00 1.77 1.79 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.43 7.81 55 E 8.06 4.14 0.00 2.16 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 0.00 2.54 2.30 0.00 56 R 7.87 4.26 0.00 1.87 1.94 0.00 3.05 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 57 G 8.14 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.38 4.30 0.00 1.76 1.63 0.93 0.65 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 59 K 8.98 4.53 0.00 1.68 1.85 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.50 7.81 60 V 7.64 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 1.14 0.00 0.00 0.98 0.00 0.00 61 I 8.67 5.09 1.96 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 1.39 0.58 1.11 0.00 0.00 62 I 8.95 4.98 1.88 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 1.15 0.85 0.88 0.00 0.00 63 A 9.44 5.15 1.21 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 0.00 0.00 0.00 64 G 8.63 4.45 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 0.00 0.00 0.00 65 A 8.57 4.73 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 66 G 8.19 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.77 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 0.00 0.00 0.00 68 A 8.53 4.29 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 69 A 8.07 4.38 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 70 H 8.36 4.85 0.00 3.19 3.34 0.00 5.66 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 71 L 8.16 4.07 0.00 1.56 1.71 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.41 0.00 2.24 2.11 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 73 G 7.75 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *75 V 7.95 3.98 2.32 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 1.07 0.00 0.00 1.08 0.00 0.00 76 A 8.13 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.04 3.88 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 78 K 7.83 4.36 0.00 1.60 1.54 0.00 1.29 0.00 0.00 0.88 0.00 0.00 2.27 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.60 0.21 7.81 79 T 7.35 4.65 4.40 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 1.31 0.00 0.00 80 T 8.33 4.32 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 1.20 0.00 0.00 81 L 7.49 4.23 0.00 1.72 1.67 1.00 1.09 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 82 P 0.00 4.49 0.00 2.24 2.28 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 83 V 8.52 4.94 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 1.05 0.00 0.00 1.06 0.00 0.00 84 L 9.30 5.27 0.00 1.64 1.76 1.09 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.57 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 0.00 0.00 0.00 0.00 86 V 8.66 4.48 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 1.00 0.00 0.00 0.98 0.00 0.00 87 P 0.00 4.89 0.00 2.12 1.93 0.00 3.87 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 88 V 8.64 4.19 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 0.77 0.00 0.00 1.01 0.00 0.00 89 K 8.63 4.00 0.00 1.75 1.73 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.43 7.81 90 S 8.59 4.50 0.00 4.04 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.63 4.20 0.00 4.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 T 7.98 4.21 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 93 L 7.81 4.54 0.00 1.71 1.68 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.82 3.99 0.00 2.78 2.86 0.00 0.00 6.92 8.90 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 95 G 8.74 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.13 4.00 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 97 D 8.02 4.30 0.00 2.87 2.93 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 98 S 8.10 4.31 0.00 4.02 3.98 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 99 L 8.01 3.97 0.00 1.85 1.82 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.89 4.06 0.00 1.75 1.70 0.92 1.00 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 0.00 101 S 8.12 4.19 0.00 4.04 4.16 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 0.00 0.00 0.00 0.00 102 I 7.22 4.19 1.87 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 1.60 0.63 0.91 0.00 0.00 103 V 7.86 3.86 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 1.01 0.00 0.00 0.85 0.00 0.00 104 Q 7.24 4.04 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 *106 P 0.00 4.13 0.00 2.23 2.23 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 107 A 8.32 4.13 1.26 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 0.00 108 G 8.30 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 0.00 109 I 7.15 4.41 1.87 0.00 0.00 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 1.35 0.97 0.92 0.00 0.00 110 P 0.00 4.58 0.00 2.15 2.03 0.00 3.45 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 111 V 7.96 4.52 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.98 0.00 0.00 112 A 8.69 3.97 1.09 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 0.00 113 T 8.02 4.86 4.06 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 1.15 0.00 0.00 114 F 8.31 4.81 0.00 2.92 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 0.00 115 A 8.64 4.18 1.30 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 0.00 0.00 0.00 116 I 8.12 4.00 1.88 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 1.46 0.58 0.97 0.00 0.00 117 G 8.48 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 *119 A 7.81 4.24 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 0.00 120 G 8.21 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 0.00 0.00 0.00 121 A 7.99 3.92 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 0.00 122 K 7.85 3.82 0.00 1.93 1.82 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 123 N 8.29 4.28 0.00 2.82 2.86 0.00 0.00 6.95 7.47 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 0.00 124 A 7.93 2.83 1.05 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 0.00 0.00 125 A 7.41 3.82 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.56 3.77 0.00 1.75 1.58 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.47 3.98 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.48 4.01 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 0.00 129 A 7.97 3.89 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 0.00 130 S 7.70 4.07 0.00 3.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.38 3.75 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.55 0.90 0.00 0.00 132 L 8.05 3.98 0.00 1.67 1.69 0.92 0.61 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 0.00 133 Q 8.06 4.01 0.00 2.28 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 134 H 7.66 4.20 0.00 2.95 3.37 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.54 4.56 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 1.23 0.00 0.00 136 D 7.69 4.55 0.00 2.64 2.54 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 0.00 0.00 0.00 0.00 137 I 8.60 3.69 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.82 0.91 0.00 0.00 138 N 8.19 4.37 0.00 2.73 2.87 0.00 0.00 7.11 7.31 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 0.00 139 I 7.95 3.70 1.98 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 1.45 0.63 0.88 0.00 0.00 140 A 8.18 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.35 3.81 0.00 1.95 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 142 A 8.37 4.03 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 0.00 143 L 8.22 3.96 0.00 1.82 1.81 0.85 0.90 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 0.00 144 A 8.00 4.02 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 0.00 145 E 8.41 3.88 0.00 2.23 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 2.33 2.39 0.00 146 F 8.35 3.97 0.00 3.21 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 0.00 147 R 8.33 3.95 0.00 2.12 2.03 0.00 3.26 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 1.81 1.98 0.00 148 A 8.22 3.97 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 0.00 149 E 8.57 3.85 0.00 2.01 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 2.23 2.20 0.00 150 Q 8.10 3.88 0.00 2.11 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 151 T 7.88 3.97 4.40 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 1.21 0.00 0.00 152 R 8.16 3.92 0.00 2.02 2.00 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 153 F 8.38 4.04 0.00 3.21 3.21 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 0.00 154 V 7.56 3.71 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 0.98 0.00 0.00 1.03 0.00 0.00 155 L 7.83 3.96 0.00 1.77 1.69 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 156 E 7.93 4.26 0.00 1.78 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 2.26 2.50 0.00 157 N 7.24 4.92 0.00 2.29 2.46 0.00 0.00 6.99 7.84 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 0.00 158 P 0.00 4.25 0.00 2.14 2.13 0.00 3.69 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 159 D 7.84 4.55 0.00 2.63 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 0.00 160 P 0.00 4.42 0.00 2.21 2.01 0.00 3.83 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 1.97 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.