NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5471 8.3644 120.1872 52.6449 42.9949 174.5430 2 S 5.0082 7.2493 114.5966 56.6101 65.1026 170.8387 3 V 5.1309 8.1024 124.0546 60.7704 34.8894 173.4557 4 T 4.8108 8.8349 112.7943 60.4690 72.0390 172.7488 5 Q 5.1201 8.6596 123.0502 53.5897 32.4068 174.2660 6 M 4.0332 8.6325 121.4036 56.8854 32.5285 176.8976 7 E 4.2189 8.9066 122.8611 55.8115 31.1905 172.1835 8 G 3.9059 8.5646 107.1570 46.0558 0.0000 171.2367 9 P 4.7274 0.0000 0.0000 63.2839 33.3226 179.5231 10 V 4.3253 7.8332 116.3241 59.4722 30.2690 178.1811 11 T 4.2958 8.8692 110.0974 63.0519 68.0159 171.1666 12 L 4.5084 8.3323 126.8154 55.2281 45.2116 171.6704 13 S 5.3516 8.5221 116.3936 56.7582 64.5559 172.8242 14 E 4.0100 8.5224 124.2286 53.8026 29.0059 173.8757 15 E 4.3418 8.2061 120.3156 55.5023 31.4815 174.3900 16 A 4.6075 8.0627 129.5978 51.3100 21.9358 176.0088 17 F 4.0435 9.5802 110.7621 59.5188 38.5220 173.9141 18 L 2.4585 5.6685 129.7356 54.9948 39.0346 171.6430 19 T 4.8116 6.1157 114.4315 58.9373 70.7999 171.1340 20 I 4.2335 8.5340 129.4544 59.7847 39.0217 175.6870 21 N 5.2211 8.7819 124.0801 53.0799 40.9196 174.5828 22 C 5.4650 8.1966 114.9813 56.6578 41.6745 172.6318 23 T 5.0390 8.5578 117.5245 60.0719 72.1012 171.0252 24 Y 5.0366 7.4221 116.3310 58.0147 41.0766 174.1858 25 T 4.5181 9.2226 118.6702 63.0464 71.3325 174.0032 26 A 4.7134 8.7853 133.6269 51.5130 18.4345 178.5833 27 T 4.9000 7.7976 123.3367 65.8965 71.8569 172.9561 28 G 4.0884 8.3066 105.7839 45.9479 0.0000 173.8399 29 Y 4.5989 8.9581 115.3137 55.9020 38.9874 172.2480 30 P 4.6370 0.0000 0.0000 63.1885 33.1052 176.9867 31 S 4.6167 9.3066 116.9905 56.7511 67.3096 173.0658 32 L 4.3639 7.9715 120.4461 53.3025 46.1507 175.6059 33 F 5.5118 8.2997 117.1631 57.1410 42.8715 175.3941 34 W 5.1954 8.1358 112.5838 57.1936 31.5288 173.9857 35 Y 5.1398 9.0139 122.2072 57.8807 39.5821 175.0622 36 V 4.3695 9.1585 120.7648 60.0232 34.5073 174.2822 37 Q 4.6965 8.5249 127.2203 53.3968 29.8741 175.4192 38 Y 4.6016 7.4953 124.6926 57.0759 38.3976 173.5959 39 P 4.3778 0.0000 0.0000 63.7546 31.9358 176.6111 40 G 3.9644 8.8475 113.6620 46.5393 0.0000 171.5754 41 E 4.5065 7.8002 117.2433 55.2850 33.4607 173.7984 42 G 4.1186 8.2658 106.9710 45.4897 0.0000 172.4075 43 L 4.5521 8.1548 121.1206 54.0884 41.9051 176.8996 44 Q 4.5259 8.8329 124.3048 54.5329 30.6008 175.7931 45 L 4.8197 8.6035 124.0793 55.7395 42.8014 175.4560 46 L 4.7376 8.6264 122.6743 56.2101 44.5443 176.3229 47 L 4.9395 7.9474 117.2704 53.0585 46.3283 174.8773 48 K 5.0429 8.8154 122.9291 54.8502 35.5665 175.1821 49 A 4.5828 8.0365 126.0091 51.4058 22.1209 176.7395 50 T 4.2172 8.7446 115.5066 60.7434 69.0072 173.1165 51 K 4.4083 6.8256 117.1586 56.0141 35.2812 176.4050 52 A 4.2299 7.2377 122.7081 51.8903 20.0840 175.7283 53 D 4.9068 8.1198 123.1239 54.7143 43.5263 178.3139 54 D 4.9108 8.5730 119.8095 55.9170 40.7230 177.5141 55 K 4.4229 7.4110 115.3167 55.9404 27.2532 175.2235 56 G 3.7982 7.8215 115.3537 44.3298 0.0000 174.1564 57 S 3.5505 7.9338 117.8704 57.0574 62.4591 172.3227 58 N 3.7131 9.7739 114.5296 56.0471 37.0877 174.5289 59 K 4.3851 8.7803 128.3672 55.4837 30.7905 176.2431 *61 G 4.3529 7.8940 105.3204 45.7997 0.0000 172.8195 62 F 3.8858 7.6393 116.6525 54.6309 40.5175 174.3887 63 E 4.8504 8.6177 121.1664 55.7830 35.0023 174.2847 64 A 4.7775 8.0012 119.2155 52.5852 23.0183 175.5453 65 T 5.0132 8.7163 120.0974 62.5512 70.5534 174.5415 66 Y 4.6617 9.8392 128.7564 57.6003 39.4750 174.4893 67 R 4.6363 9.2423 130.4203 55.0334 31.1178 178.3317 68 K 4.0981 8.6406 126.8473 57.5622 31.4190 175.8975 69 E 3.7689 7.5183 115.7676 59.7167 29.9561 177.6550 70 T 4.2302 7.8441 111.3667 67.4202 69.6908 178.1648 71 T 3.4771 7.8560 108.9475 62.1779 66.7652 170.8424 72 S 4.7209 8.9368 125.8444 56.9983 67.0439 173.8827 73 F 5.6345 8.6371 122.2048 57.3455 38.0342 174.7355 74 H 4.6873 8.1327 118.0653 56.4735 30.4682 175.7731 75 L 4.6194 9.1700 125.1126 53.3702 44.1324 174.7056 76 E 5.4728 8.4785 125.2854 54.4397 33.7037 173.7387 77 K 4.2589 7.9757 126.3672 54.9811 35.1977 176.3792 78 G 3.7573 8.7953 118.2283 45.3041 0.0000 173.2195 79 S 5.5289 8.0881 128.9531 58.6526 63.1626 172.7680 80 V 3.4938 7.7310 123.2544 62.5745 32.0638 176.6270 81 Q 4.7952 8.5564 124.0714 54.1892 30.6632 177.0521 82 V 3.7674 8.2823 120.1523 65.3214 31.7841 179.1095 83 S 4.2853 8.1776 115.8224 59.8952 62.0783 176.8041 84 D 5.3012 7.3974 116.8947 53.4590 39.5874 178.0894 85 S 3.9878 8.0742 115.1474 58.7463 63.2847 179.0658 86 A 3.5496 8.4527 128.9168 53.6096 18.6894 175.8798 87 V 4.8677 7.3558 111.5066 61.7337 35.5874 175.5713 88 Y 5.1185 9.4088 123.8104 56.1889 41.5295 174.6030 89 F 5.3834 9.9014 122.0221 56.0251 42.3340 173.3108 90 C 3.9545 8.8417 123.9733 55.0683 41.6891 172.0602 91 A 5.4581 8.0812 125.6480 50.0914 22.7999 174.2860 92 L 5.0576 7.8821 118.0900 54.6416 44.5468 174.9639 93 S 4.5588 8.8856 112.7038 57.7440 66.9538 174.7534 94 G 3.9355 8.6035 107.7857 45.9701 0.0000 173.4483 *98 G 4.4869 7.6078 107.3690 45.1011 0.0000 174.5136 99 D 4.8884 8.4365 117.5675 52.4435 40.0240 178.5427 100 S 4.5159 7.3771 113.4417 59.1044 63.9185 174.2786 101 S 4.1154 7.8992 126.1665 59.2791 64.2817 175.1960 102 Y 3.9243 7.8017 117.6937 58.9225 36.7445 169.1848 103 K 4.7956 8.3945 116.9318 54.7355 35.6257 174.5679 104 L 4.7907 8.2458 117.2455 53.1271 44.7522 176.4648 105 I 4.2223 8.3313 124.2991 60.5004 38.3629 174.9768 106 F 5.0101 8.8807 125.8741 55.9183 40.3556 176.1855 107 G 4.0921 9.0957 112.1718 46.0755 0.0000 175.4078 108 S 4.4300 8.7800 115.4437 59.1234 62.5255 170.6099 109 G 3.5416 7.8029 106.1473 46.3572 0.0000 172.6130 110 T 4.6127 9.0794 121.2146 61.7594 71.1816 173.4643 111 R 4.6558 8.5508 126.6924 55.2317 31.7911 174.3942 112 L 4.9536 8.6156 130.4510 53.9997 44.6059 176.8488 113 L 4.8323 8.5460 127.4384 52.8502 42.6605 172.0089 114 V 4.5427 8.5100 126.2778 61.1547 32.3838 177.0925 115 R 4.5820 8.9034 129.0283 54.6582 31.6812 172.7711 116 P 4.8072 0.0000 0.0000 62.7321 29.5303 177.5773 *119 Q 4.3444 8.0935 115.3809 55.6105 30.9052 175.1877 120 N 4.9351 7.3222 128.9894 52.5911 41.5449 176.1350 121 P 4.8884 0.0000 0.0000 62.6171 30.4565 176.0734 122 D 4.4902 9.0769 113.7080 53.3239 37.0026 172.0049 123 P 4.4027 0.0000 0.0000 63.5250 32.8622 175.7515 *125 V 3.4840 8.0384 118.3136 62.6203 32.8583 170.8823 *126 Y 3.0609 7.7613 111.2708 59.4171 35.8050 167.7823 *128 L 4.2150 7.8383 119.2395 55.9463 42.1447 175.3712 129 R 4.2706 7.2590 116.4969 53.0082 32.4735 173.5858 130 D 4.1423 8.5558 123.4591 55.6430 38.9877 173.4105 131 S 3.4192 8.3708 114.7739 59.4483 62.0525 171.8963 *140 L 4.3590 7.6119 119.4436 56.2489 42.2424 182.7005 *141 F 4.3870 7.6293 108.6502 58.8536 39.9966 171.0928 142 T 4.0184 7.6600 119.3585 61.0116 69.5945 176.0874 *144 F 4.4655 8.2400 122.4788 57.3173 39.5492 175.8607 145 D 4.9583 7.9547 116.3807 54.5814 40.2287 173.9995 146 S 4.4041 8.5421 116.3142 62.1957 63.2378 176.1984 147 Q 4.5272 7.9318 116.4818 55.2460 29.6313 181.6500 148 T 4.3555 7.5212 115.1432 64.4890 68.1589 176.4944 149 N 4.1751 8.8185 130.0620 55.1026 42.9061 174.3300 *153 S 4.3904 8.9784 113.5465 57.3378 64.7737 175.8852 154 K 5.4195 8.1321 135.0000 56.8657 31.4779 181.1811 155 D 4.4098 8.1430 117.8267 57.1580 39.6953 182.6488 *157 D 4.5950 7.7971 115.1546 53.7299 41.5369 180.7503 158 V 4.5629 7.7467 119.4780 61.4299 34.0005 174.4254 159 Y 4.1317 9.6412 128.3455 57.7061 38.1854 176.1323 160 I 4.2704 8.1442 123.7318 57.6917 36.4164 174.1411 161 T 4.2993 8.0624 123.4490 60.7282 67.8472 173.8110 162 D 4.3099 8.1059 121.5060 53.1395 43.1049 173.2319 163 K 4.6279 8.4481 121.8298 56.6912 33.4775 175.0705 164 T 4.5677 7.9367 111.0954 64.3632 72.7458 173.1391 165 V 4.4491 8.4949 125.4672 62.2341 33.9661 174.5682 166 L 4.1623 9.4128 128.5097 52.7532 41.2610 173.7239 167 D 4.1774 8.0116 124.8461 54.6854 39.0221 174.5119 168 M 4.3005 8.6625 127.4195 58.5947 31.1913 179.0548 169 R 3.6350 7.0319 122.2506 55.3734 31.8333 179.6784 170 S 4.2377 9.0032 119.9650 62.2784 62.6375 174.5281 171 M 4.4637 8.4318 121.8080 54.0269 33.0289 180.8282 172 D 4.8219 8.2315 116.8467 52.3299 39.0368 175.8367 173 F 4.8064 7.5409 125.6223 59.2916 43.0933 173.7284 174 K 4.3816 6.4173 123.7608 54.1389 35.4041 175.3818 175 S 4.6160 8.4348 117.3158 57.4067 67.2921 173.0547 176 N 5.5513 8.2346 118.2561 51.6051 40.7292 173.6601 177 S 4.7780 9.0462 115.3594 57.4151 66.2168 175.7997 178 A 4.6802 8.7264 124.8788 51.1900 21.1644 176.8224 179 V 4.3400 8.1123 117.8753 63.7189 33.3966 174.8583 180 A 2.7970 8.5755 132.9661 51.5231 16.2069 176.7989 *183 N 4.5812 7.7125 113.0201 51.7428 40.2174 174.0383 184 K 4.3298 7.7520 121.4774 57.7832 37.3069 179.2579 185 S 3.1543 8.6769 114.9013 58.8787 65.6483 174.3704 186 D 4.4648 8.8168 120.5825 52.7298 43.8562 178.8377 *187 F 4.3131 8.4768 113.2797 57.9642 37.4903 173.6572 *190 A 4.2938 8.4609 120.9290 53.4328 19.9890 175.3591 191 N 4.0023 7.9844 115.7332 52.4820 37.0956 175.0258 192 A 4.4410 8.1505 124.2022 54.8806 19.9070 181.2911 193 F 4.4644 8.5861 111.3811 57.6586 38.3261 175.3201 194 N 4.6127 8.1571 121.1788 53.2787 37.0193 173.6275 195 N 5.0686 7.4010 117.3267 52.0302 43.0641 174.6127 196 S 4.4759 8.1958 117.7442 59.1832 66.8575 175.8569 *199 P 4.2408 0.0000 0.0000 62.9603 31.8854 172.6847 200 E 4.6397 7.9520 118.0437 56.0687 31.5811 175.1025 201 D 4.7477 7.6353 117.7617 53.7682 42.0332 178.2555 202 T 4.3429 8.4188 123.3525 63.3085 67.4392 175.2103 *203 F 4.2356 9.5038 124.8162 57.5822 39.8184 175.8125 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 D 8.36 4.55 0.00 2.81 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 2 S 7.25 5.01 0.00 4.07 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 3 V 8.10 5.13 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 0.76 0.00 0.00 0.91 0.00 0.00 4 T 8.83 4.81 4.29 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 1.25 0.00 0.00 5 Q 8.66 5.12 0.00 2.43 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 6 M 8.63 4.03 0.00 2.18 2.20 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 2.68 2.57 0.00 7 E 8.91 4.22 0.00 2.03 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 2.23 1.87 0.00 8 G 8.56 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 9 P 0.00 4.73 0.00 2.21 2.10 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 2.00 1.97 0.00 10 V 7.83 4.33 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 0.78 0.00 0.00 0.93 0.00 0.00 11 T 8.87 4.30 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 12 L 8.33 4.51 0.00 1.30 1.50 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.52 5.35 0.00 3.38 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 14 E 8.52 4.01 0.00 1.95 1.95 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 2.29 2.34 0.00 15 E 8.21 4.34 0.00 2.14 2.15 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 2.10 2.10 0.00 16 A 8.06 4.61 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 17 F 9.58 4.04 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 5.67 2.46 0.00 1.38 1.32 0.46 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 T 6.12 4.81 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 20 I 8.53 4.23 1.54 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.13 1.15 0.00 0.00 21 N 8.78 5.22 0.00 2.80 2.89 0.00 0.00 6.63 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.20 5.47 0.00 3.17 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 23 T 8.56 5.04 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 1.23 0.00 0.00 24 Y 7.42 5.04 0.00 3.07 2.92 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 0.00 0.00 0.00 25 T 9.22 4.52 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 26 A 8.79 4.71 1.13 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 27 T 7.80 4.90 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 1.20 0.00 0.00 28 G 8.31 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 0.00 0.00 0.00 0.00 29 Y 8.96 4.60 0.00 2.92 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 30 P 0.00 4.64 0.00 1.64 1.87 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.26 0.00 31 S 9.31 4.62 0.00 3.49 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 32 L 7.97 4.36 0.00 0.27 0.13 -0.84 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.30 5.51 0.00 2.32 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 W 8.14 5.20 0.00 3.27 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 35 Y 9.01 5.14 0.00 3.22 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 36 V 9.16 4.37 1.54 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 0.54 0.00 0.00 -0.17 0.00 0.00 37 Q 8.52 4.70 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 38 Y 7.50 4.60 0.00 3.05 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 39 P 0.00 4.38 0.00 2.08 2.03 0.00 3.91 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 40 G 8.85 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 0.00 0.00 0.00 41 E 7.80 4.51 0.00 1.96 1.89 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 2.24 2.52 0.00 42 G 8.27 4.12 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 0.00 0.00 0.00 43 L 8.15 4.55 0.00 1.07 1.26 0.04 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.83 4.53 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 45 L 8.60 4.82 0.00 1.85 1.70 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.63 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0.00 0.00 0.00 2.25 2.43 0.00 64 A 8.00 4.78 0.52 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 65 T 8.72 5.01 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 1.33 0.00 0.00 66 Y 9.84 4.66 0.00 2.84 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 67 R 9.24 4.64 0.00 2.01 1.95 0.00 3.34 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 68 K 8.64 4.10 0.00 1.68 1.82 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.03 7.81 69 E 7.52 3.77 0.00 1.94 1.96 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 2.33 2.29 0.00 70 T 7.84 4.23 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 1.21 0.00 0.00 71 T 7.86 3.48 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 1.15 0.00 0.00 72 S 8.94 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0.00 0.00 0.00 0.00 0.00 0.00 129 R 7.26 4.27 0.00 1.70 1.71 0.00 3.46 0.00 0.00 3.17 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 130 D 8.56 4.14 0.00 2.83 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 0.00 131 S 8.37 3.42 0.00 4.01 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 *140 L 7.61 4.36 0.00 1.73 1.52 0.92 0.67 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 *141 F 7.63 4.39 0.00 2.13 2.15 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 0.00 142 T 7.66 4.02 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 *144 F 8.24 4.47 0.00 2.32 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 0.00 0.00 0.00 0.00 145 D 7.95 4.96 0.00 2.55 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 0.00 146 S 8.54 4.40 0.00 3.85 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 0.00 147 Q 7.93 4.53 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.08 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 148 T 7.52 4.36 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 1.21 0.00 0.00 149 N 8.82 4.18 0.00 2.65 2.53 0.00 0.00 6.84 7.63 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 *153 S 8.98 4.39 0.00 4.02 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 0.00 154 K 8.13 5.42 0.00 1.90 1.81 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.12 0.73 7.81 155 D 8.14 4.41 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *157 D 7.80 4.59 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 4.56 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 1.02 0.00 0.00 159 Y 9.64 4.13 0.00 3.05 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 0.00 160 I 8.14 4.27 1.87 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 1.47 0.79 0.91 0.00 0.00 161 T 8.06 4.30 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 1.05 0.00 0.00 162 D 8.11 4.31 0.00 2.66 2.43 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 0.00 163 K 8.45 4.63 0.00 1.53 1.65 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.70 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.04 7.81 164 T 7.94 4.57 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 1.22 0.00 0.00 165 V 8.49 4.45 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 0.75 0.00 0.00 0.92 0.00 0.00 166 L 9.41 4.16 0.00 1.41 1.43 0.92 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.01 4.18 0.00 2.73 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 0.00 168 M 8.66 4.30 0.00 2.12 2.12 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 2.71 2.54 0.00 169 R 7.03 3.63 0.00 1.82 1.69 0.00 3.27 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.23 0.00 170 S 9.00 4.24 0.00 3.86 3.95 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 0.00 171 M 8.43 4.46 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 172 D 8.23 4.82 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.54 4.81 0.00 3.06 2.92 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 0.00 0.00 0.00 174 K 6.42 4.38 0.00 1.54 1.50 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 0.99 7.81 175 S 8.43 4.62 0.00 3.84 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 0.00 176 N 8.23 5.55 0.00 2.46 2.57 0.00 0.00 6.52 7.64 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 0.00 177 S 9.05 4.78 0.00 3.80 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 A 8.73 4.68 1.44 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 0.00 0.00 179 V 8.11 4.34 2.14 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 0.87 0.00 0.00 1.01 0.00 0.00 180 A 8.58 2.80 1.07 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 *183 N 7.71 4.58 0.00 2.78 2.65 0.00 0.00 6.57 7.44 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 0.00 184 K 7.75 4.33 0.00 1.83 1.84 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.41 7.81 185 S 8.68 3.15 0.00 4.09 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 0.00 186 D 8.82 4.46 0.00 2.65 2.43 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 *187 F 8.48 4.31 0.00 2.29 2.15 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 *190 A 8.46 4.29 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 0.00 191 N 7.98 4.00 0.00 2.94 3.16 0.00 0.00 6.01 7.26 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 0.00 192 A 8.15 4.44 1.32 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 0.00 0.00 0.00 193 F 8.59 4.46 0.00 2.89 3.09 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 0.00 194 N 8.16 4.61 0.00 2.67 2.84 0.00 0.00 6.54 7.86 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 0.00 195 N 7.40 5.07 0.00 2.64 2.66 0.00 0.00 7.18 7.63 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 0.00 196 S 8.20 4.48 0.00 3.98 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 *199 P 0.00 4.24 0.00 2.14 1.99 0.00 3.68 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 1.84 1.59 0.00 200 E 7.95 4.64 0.00 1.86 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 2.34 2.27 0.00 201 D 7.64 4.75 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 T 8.42 4.34 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 1.19 0.00 0.00 *203 F 9.50 4.24 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.