NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4838 8.3049 120.3305 55.4665 33.3140 174.3632 2 M 4.5409 8.5753 123.3019 52.8293 34.6296 170.0193 3 V 4.3403 8.3164 121.9920 61.0039 34.2401 174.1723 4 W 4.6810 8.9244 135.0000 57.3565 31.1454 175.3768 5 T 4.1473 8.4238 124.0482 61.4795 66.8987 172.7394 6 P 4.4459 0.0000 0.0000 63.8500 32.2063 176.0958 7 V 4.1672 7.0993 118.5016 61.1369 33.1251 175.0217 8 N 4.6656 8.4252 122.5623 52.5562 38.1266 174.8576 9 N 5.0019 8.1722 125.1234 52.7081 39.7456 174.6697 10 K 3.9113 8.1691 115.7941 56.4339 32.8145 176.5132 11 M 4.8398 8.0225 121.1713 53.8030 35.2056 175.1643 12 F 4.9748 8.3986 116.9229 57.2963 41.2959 176.7463 13 E 3.5371 8.4147 121.5921 57.1220 27.5795 175.4530 14 T 3.8287 8.3355 122.4951 66.5220 68.9413 174.2115 15 F 4.6025 9.0803 124.3198 57.5340 36.6535 176.1730 16 S 4.5582 8.1075 114.3219 60.0693 63.0379 174.3711 17 Y 4.4274 8.2255 117.6139 58.1083 38.2085 175.1583 18 L 4.6707 7.6403 120.5000 52.0208 43.5460 174.4926 19 P 4.4124 0.0000 0.0000 62.1362 31.6034 174.6109 20 P 4.3406 0.0000 0.0000 62.7904 31.8127 176.2584 21 L 4.0672 8.3574 122.5226 54.5379 42.2088 177.9749 22 T 4.1767 8.2417 114.1346 61.3315 70.9959 175.1069 23 D 4.3457 8.5779 121.1838 57.6567 40.9209 178.7965 24 E 3.9637 8.1111 119.2519 59.2646 29.6880 178.8039 25 Q 3.9207 7.9094 117.8550 58.7972 28.8076 178.4765 26 I 3.7077 8.0114 120.8604 64.5277 37.2430 178.3154 27 A 4.0752 8.2103 121.1923 55.1173 18.1091 179.5990 28 A 4.0014 7.8759 119.0669 55.3491 18.4656 179.8319 29 Q 4.0821 8.0945 116.6692 59.1381 28.7448 179.2583 30 V 3.7542 8.1243 119.2401 66.1561 31.6071 177.6650 31 D 4.3955 8.2875 118.6519 57.5723 40.6839 178.1478 32 Y 4.0961 8.1639 119.8605 60.8095 38.9050 178.1590 33 I 3.8627 8.0184 120.5674 64.6125 37.2993 178.5961 34 V 3.5171 7.9909 118.5938 66.0182 31.2019 177.8945 35 A 3.9322 8.2614 119.3636 54.5585 18.2192 178.3169 36 N 4.0781 7.0394 112.0041 52.1166 38.7335 175.6988 37 G 3.7633 7.2875 108.3217 46.0708 0.0000 173.9901 38 W 5.0117 7.4807 118.6560 55.8471 30.9529 176.2079 39 I 4.4827 9.0910 123.3184 59.3917 37.8260 173.9748 40 P 4.8776 0.0000 0.0000 63.1570 32.8263 174.8436 41 C 5.0190 8.9141 120.6217 58.4042 35.7155 172.3088 42 L 5.3452 8.7495 123.0714 53.1140 44.7042 175.2355 43 E 5.6014 9.2339 121.3690 54.7486 33.8700 174.7581 44 F 5.5841 9.6324 116.7404 55.2212 42.2217 173.1861 45 A 4.4678 8.7728 121.8698 50.2807 21.3650 176.7512 46 T 4.5040 8.5480 111.1408 61.5514 70.9779 174.4845 47 D 4.8361 7.0804 120.8262 54.8223 41.1606 178.7981 48 H 4.3328 8.9827 127.4064 56.7781 28.5925 174.8862 49 G 2.9101 8.2330 112.5623 45.1606 0.0000 172.8072 50 F 5.0925 7.4175 117.0663 54.8373 42.6930 174.8284 51 V 4.1954 8.4110 122.7990 63.8121 32.2170 174.4676 52 Y 4.9650 8.6002 123.8721 56.4077 42.1072 173.5555 53 R 4.7267 8.7435 117.1743 55.2589 32.2039 174.6665 54 E 4.4459 9.8328 124.7848 58.0138 30.7277 177.0035 55 H 4.6388 8.3246 112.7390 57.3013 29.5387 174.3362 56 H 4.4850 7.5548 116.0518 55.5183 32.0380 172.5390 57 N 4.9152 7.8639 117.8786 52.3961 40.5724 175.1592 58 S 4.3405 7.5196 113.5310 56.6861 64.0972 171.7176 59 P 4.2581 0.0000 0.0000 64.3835 31.3052 177.0744 60 G 3.8973 8.7170 109.7668 45.8995 0.0000 172.0883 61 Y 4.3333 7.3773 120.7995 55.7297 39.9918 174.6080 62 Y 4.5553 7.0197 123.2760 56.3548 42.3300 174.6201 63 D 4.2506 8.4938 123.8680 54.5469 41.7421 177.7659 64 G 4.2398 8.6002 109.1953 45.5694 0.0000 174.9767 65 R 3.8678 7.5791 118.3455 58.8512 30.3568 176.7798 66 Y 4.4770 7.7134 115.0266 57.2804 38.6810 174.8870 67 W 5.0552 8.6081 124.2961 55.4653 32.4732 174.8989 68 T 4.2568 8.1606 117.3660 62.9284 69.2775 174.5633 69 M 4.5524 8.5381 126.4908 55.1452 33.2788 175.3112 70 W 4.8064 9.6340 135.0000 56.4110 31.2470 177.1450 71 K 3.5676 8.6982 129.6709 57.3472 30.4059 178.8409 72 L 4.9126 8.4017 123.5624 52.8104 45.5033 173.9168 73 P 4.3610 0.0000 0.0000 63.3700 32.1221 177.6002 74 M 4.2943 8.4254 123.3865 53.6306 30.4198 175.1368 75 F 4.4415 7.4916 119.0783 58.7678 39.9453 176.4010 76 G 4.0082 9.1391 113.1205 45.4973 0.0000 172.9059 77 C 4.3277 7.7748 120.4511 59.4170 31.8013 173.1509 78 R 4.5079 8.6543 124.4174 55.6866 31.1018 174.8305 79 D 4.7890 7.8257 119.2556 51.5700 41.6960 174.4053 80 P 4.3128 0.0000 0.0000 66.5443 30.8267 178.0284 81 M 4.0717 8.2729 118.0916 58.1171 31.8121 178.4990 82 Q 3.9534 8.1850 119.4758 59.0678 29.2670 178.3286 83 V 3.5960 7.8044 118.7172 66.2106 31.4980 177.6953 84 L 4.0260 8.0682 118.5653 58.0503 41.3700 179.8558 85 R 3.9701 8.3634 118.1609 59.2963 29.8989 179.0008 86 E 4.1101 8.3633 118.5094 59.2519 29.4443 179.3557 87 I 3.5531 7.7416 120.0966 64.2193 37.1628 178.6259 88 V 3.5402 7.7821 120.1511 65.3308 31.4166 177.7939 89 A 3.9502 8.0869 120.6866 55.3031 18.2579 179.1061 90 C 2.0000 7.6449 117.5093 62.1247 31.4964 176.0205 91 T 3.7636 7.5181 111.0335 64.2583 67.9666 176.4352 92 K 3.9046 7.5281 121.9541 59.3442 32.3406 178.4481 93 A 3.9480 7.5775 119.8067 53.4884 19.9103 177.6317 94 F 4.7322 7.6601 115.5128 55.2173 39.1957 173.9297 95 P 4.6410 0.0000 0.0000 64.0429 31.8516 177.7040 96 D 4.6640 8.0060 116.9685 53.9415 41.4900 175.5313 97 A 4.6318 7.4860 121.3266 50.5756 20.8900 177.2408 98 Y 4.1891 8.1489 117.9979 58.0416 39.1849 175.4844 99 V 5.2178 9.0921 123.7017 61.1349 35.4020 174.3291 100 R 5.0194 9.5471 123.1880 54.3650 33.3324 173.4856 101 L 4.8550 8.0221 123.6454 53.8734 43.7418 175.6971 102 V 4.8254 8.6168 118.5177 59.4329 36.0180 174.2549 103 A 4.9168 8.1969 122.1532 50.3508 22.9611 175.1137 104 F 5.3123 9.1713 118.8841 55.7000 42.8226 174.0110 105 D 5.4095 8.7677 122.5514 52.7471 42.4143 176.5800 106 N 4.7442 9.1510 122.9337 54.1876 38.4198 176.5465 107 Q 4.1375 8.5215 118.6018 59.2504 28.8679 177.7485 108 K 4.0448 8.2217 114.1944 56.9176 32.9518 176.6968 109 Q 3.4183 7.9630 118.3331 55.9760 27.0685 172.5261 110 V 4.4959 7.7868 117.4133 59.9624 35.0239 174.2172 111 Q 4.4950 8.7345 123.1384 56.5310 29.2490 175.5373 112 I 4.2194 7.8197 124.9319 60.9665 39.4884 174.3905 113 M 4.4253 6.7570 116.9354 55.1045 34.0452 173.7307 114 G 4.8044 8.4311 105.0606 47.0862 0.0000 172.5219 115 F 5.0931 7.2194 116.1999 55.0603 41.2457 172.9983 116 L 4.5682 8.8393 122.9978 55.7309 42.0050 176.8113 117 V 4.5169 8.9625 118.3549 61.6704 34.0116 175.7526 118 Q 4.6810 7.8955 120.9452 54.4855 32.4046 173.3493 119 R 4.6316 8.2315 121.1239 53.1770 32.6357 173.4560 120 P 4.1489 0.0000 0.0000 62.7194 32.2796 176.8468 121 K 4.0893 8.3111 122.1348 55.1308 31.6063 176.2866 *127 Q 4.0394 8.2745 122.2439 54.6002 30.0542 173.7760 128 P 4.1512 0.0000 0.0000 62.5343 31.9758 177.0137 129 A 4.1020 8.7019 124.4621 54.4229 18.3100 177.9069 130 N 4.8735 7.9817 110.1281 52.7433 38.8663 175.2225 131 K 4.3569 7.8178 117.9030 56.6551 32.2934 177.6438 132 R 3.8005 7.5728 120.0085 57.5501 30.8955 176.1839 133 S 5.7428 7.6362 111.9416 55.5993 66.3507 174.6124 134 V 4.1021 8.0549 113.0365 61.7822 32.1546 175.2573 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 4.48 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.58 4.54 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 3 V 8.32 4.34 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 1.10 0.00 0.00 0.97 0.00 0.00 4 W 8.92 4.68 0.00 3.47 3.04 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 5 T 8.42 4.15 4.09 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 1.11 0.00 0.00 6 P 0.00 4.45 0.00 2.22 2.18 0.00 3.77 0.00 0.00 3.71 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 7 V 7.10 4.17 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 0.78 0.00 0.00 0.90 0.00 0.00 8 N 8.43 4.67 0.00 2.74 2.78 0.00 0.00 6.65 8.00 0.00 0.00 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 N 8.17 5.00 0.00 2.68 2.65 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.17 3.91 0.00 1.82 1.35 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.32 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.19 1.16 7.81 11 M 8.02 4.84 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 12 F 8.40 4.97 0.00 3.15 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.41 3.54 0.00 2.15 1.74 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 2.26 2.17 0.00 14 T 8.34 3.83 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 0.25 0.00 0.00 15 F 9.08 4.60 0.00 3.29 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 16 S 8.11 4.56 0.00 4.17 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 0.00 17 Y 8.23 4.43 0.00 3.01 3.16 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 18 L 7.64 4.67 0.00 1.85 1.61 0.83 0.97 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 19 P 0.00 4.41 0.00 2.17 2.07 0.00 3.80 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 1.97 2.00 0.00 20 P 0.00 4.34 0.00 2.07 2.07 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 21 L 8.36 4.07 0.00 1.65 1.54 0.47 0.59 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 22 T 8.24 4.18 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 1.19 0.00 0.00 23 D 8.58 4.35 0.00 2.71 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 24 E 8.11 3.96 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 25 Q 7.91 3.92 0.00 2.32 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 26 I 8.01 3.71 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.07 1.10 0.00 0.00 27 A 8.21 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 28 A 7.88 4.00 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 Q 8.09 4.08 0.00 2.46 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.33 1.86 0.00 30 V 8.12 3.75 2.31 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 1.10 0.00 0.00 1.13 0.00 0.00 31 D 8.29 4.40 0.00 3.00 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 32 Y 8.16 4.10 0.00 3.23 3.35 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 33 I 8.02 3.86 2.19 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.42 1.08 0.00 0.00 34 V 7.99 3.52 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 1.06 0.00 0.00 1.00 0.00 0.00 35 A 8.26 3.93 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 36 N 7.04 4.08 0.00 1.44 1.42 0.00 0.00 7.02 8.27 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 37 G 7.29 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 7.48 5.01 0.00 3.39 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 9.09 4.48 2.11 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.85 0.73 0.00 0.00 40 P 0.00 4.88 0.00 2.13 2.21 0.00 3.89 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 41 C 8.91 5.02 0.00 3.08 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 42 L 8.75 5.35 0.00 1.85 1.61 0.92 0.82 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 43 E 9.23 5.60 0.00 2.08 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 0.00 2.37 2.33 0.00 44 F 9.63 5.58 0.00 3.02 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 45 A 8.77 4.47 -0.29 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 46 T 8.55 4.50 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 1.24 0.00 0.00 47 D 7.08 4.84 0.00 2.58 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 48 H 8.98 4.33 0.00 3.11 3.22 0.00 5.89 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 49 G 8.23 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 7.42 5.09 0.00 3.11 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 51 V 8.41 4.20 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 0.64 0.00 0.00 0.79 0.00 0.00 52 Y 8.60 4.97 0.00 3.10 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.74 4.73 0.00 1.74 2.07 0.00 3.26 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 54 E 9.83 4.45 0.00 2.18 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 55 H 8.32 4.64 0.00 3.27 3.37 0.00 5.99 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.55 4.48 0.00 2.32 1.61 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.86 4.92 0.00 2.55 2.68 0.00 0.00 6.97 7.57 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 58 S 7.52 4.34 0.00 3.98 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 59 P 0.00 4.26 0.00 2.05 2.04 0.00 3.74 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 2.02 2.08 0.00 60 G 8.72 3.90 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 0.00 0.00 0.00 61 Y 7.38 4.33 0.00 2.96 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 62 Y 7.02 4.56 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.49 4.25 0.00 1.58 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 0.00 0.00 0.00 0.00 64 G 8.60 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 65 R 7.58 3.87 0.00 1.43 1.64 0.00 3.01 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 66 Y 7.71 4.48 0.00 3.03 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 67 W 8.61 5.06 0.00 3.12 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 68 T 8.16 4.26 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 0.96 0.00 0.00 69 M 8.54 4.55 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.79 0.00 70 W 9.63 4.81 0.00 3.68 3.35 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 71 K 8.70 3.57 0.00 1.64 0.74 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 0.21 7.81 72 L 8.40 4.91 0.00 1.60 1.58 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.36 0.00 0.78 1.87 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 74 M 8.43 4.29 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 75 F 7.49 4.44 0.00 3.12 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 76 G 9.14 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 7.77 4.33 0.00 3.00 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 78 R 8.65 4.51 0.00 1.80 1.87 0.00 3.23 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 1.51 1.58 0.00 79 D 7.83 4.79 0.00 2.66 2.57 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 0.00 0.00 0.00 80 P 0.00 4.31 0.00 2.33 2.35 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 81 M 8.27 4.07 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 82 Q 8.19 3.95 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 83 V 7.80 3.60 2.26 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 1.06 0.00 0.00 0.98 0.00 0.00 84 L 8.07 4.03 0.00 1.91 1.73 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.36 3.97 0.00 2.04 2.02 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 86 E 8.36 4.11 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 2.59 2.67 0.00 87 I 7.74 3.55 2.02 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 1.35 1.02 0.86 0.00 0.00 88 V 7.78 3.54 2.20 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 1.10 0.00 0.00 0.96 0.00 0.00 89 A 8.09 3.95 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.64 2.00 0.00 1.23 2.38 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 91 T 7.52 3.76 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 1.15 0.00 0.00 92 K 7.53 3.90 0.00 1.87 1.95 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.38 7.81 93 A 7.58 3.95 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 94 F 7.66 4.73 0.00 2.82 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 95 P 0.00 4.64 0.00 2.11 2.10 0.00 3.24 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 96 D 8.01 4.66 0.00 2.64 2.66 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 97 A 7.49 4.63 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 98 Y 8.15 4.19 0.00 2.14 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 99 V 9.09 5.22 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 0.97 0.00 0.00 0.95 0.00 0.00 100 R 9.55 5.02 0.00 1.87 2.04 0.00 2.35 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.41 0.00 101 L 8.02 4.86 0.00 1.53 0.78 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.62 4.83 1.60 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 0.42 0.00 0.00 0.56 0.00 0.00 103 A 8.20 4.92 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 0.00 104 F 9.17 5.31 0.00 2.97 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.77 5.41 0.00 2.38 2.44 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 0.00 106 N 9.15 4.74 0.00 2.94 3.05 0.00 0.00 6.32 7.39 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 0.00 107 Q 8.52 4.14 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 108 K 8.22 4.04 0.00 1.76 1.86 0.00 1.95 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 109 Q 7.96 3.42 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 110 V 7.79 4.50 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 0.57 0.00 0.00 0.91 0.00 0.00 111 Q 8.73 4.49 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.19 1.98 0.00 112 I 7.82 4.22 1.26 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.36 -0.44 0.00 0.00 113 M 6.76 4.43 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 114 G 8.43 4.80 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 0.00 0.00 0.00 115 F 7.22 5.09 0.00 3.24 3.16 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 0.00 116 L 8.84 4.57 0.00 1.76 1.70 1.13 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.96 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 0.69 0.00 0.00 0.91 0.00 0.00 118 Q 7.90 4.68 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 119 R 8.23 4.63 0.00 1.51 1.63 0.00 3.14 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.49 0.00 120 P 0.00 4.15 0.00 1.70 1.88 0.00 2.53 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.56 0.00 121 K 8.31 4.09 0.00 1.69 1.75 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.38 7.81 *127 Q 8.27 4.04 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.15 0.00 128 P 0.00 4.15 0.00 2.13 2.00 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 129 A 8.70 4.10 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 0.00 130 N 7.98 4.87 0.00 2.80 2.91 0.00 0.00 6.03 7.13 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 0.00 131 K 7.82 4.36 0.00 1.71 1.78 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.36 7.81 132 R 7.57 3.80 0.00 1.22 0.66 0.00 2.88 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.55 0.00 133 S 7.64 5.74 0.00 3.89 3.96 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 0.00 134 V 8.05 4.10 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 0.63 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.