NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3887 8.3001 120.3522 54.6808 32.9227 173.5935 2 A 4.4272 7.4676 122.1348 50.8592 22.6278 175.1988 3 S 4.5593 9.1958 117.1407 56.6627 64.1884 171.7474 4 L 4.3246 7.9447 124.8498 53.3951 42.3103 177.4079 5 E 4.2324 8.6359 123.0609 56.1234 30.2081 176.4151 6 D 4.7120 8.6680 121.4086 53.9392 41.9501 176.6869 7 G 3.9380 7.7103 106.6000 47.1852 0.0000 170.2410 8 T 5.2585 7.5992 116.0505 62.2675 70.5684 173.8881 9 Y 5.3242 9.6432 123.1712 56.4067 43.0749 174.2085 10 R 5.2985 8.8361 119.6790 53.8842 33.2400 175.3681 11 L 4.8335 8.7986 123.4379 53.0539 43.8200 175.1546 12 R 4.1647 8.8723 125.9124 54.8708 31.4365 175.3593 13 A 3.0776 8.5237 129.7678 51.7225 18.9532 177.0006 14 V 4.1270 7.6632 122.4778 61.4270 35.1119 174.0521 15 T 4.8315 7.7543 113.3378 62.8918 72.8313 175.0986 16 T 3.8900 8.6138 119.0796 65.4945 67.2688 175.9882 17 S 4.2881 8.9058 117.0098 60.5916 63.7693 174.1127 18 N 4.9361 7.5985 117.3368 50.9495 38.4155 172.7301 19 P 4.4366 0.0000 0.0000 64.3935 31.5654 177.4433 20 D 4.5449 7.5322 118.4028 52.1425 41.5957 173.2590 21 P 4.2628 0.0000 0.0000 62.8976 32.2384 175.3304 22 G 3.8485 7.0427 103.2878 44.1532 0.0000 174.1030 23 V 3.9269 8.2211 113.9219 62.0963 33.2406 177.7106 24 G 3.8394 8.4341 108.0264 48.3265 0.0000 172.9104 25 G 3.8290 9.0706 109.1373 44.3067 0.0000 170.8803 26 E 5.2575 8.0976 115.7665 54.7187 33.5422 175.0379 27 Y 5.3130 8.9969 119.0810 55.7408 42.4070 174.8479 28 A 4.5879 9.0589 124.6388 52.8193 19.6305 176.7590 29 T 5.2925 9.6917 120.0171 61.8107 72.3866 173.9833 30 V 4.2358 8.4306 126.9236 60.8448 32.5423 176.2032 31 E 4.6493 8.6161 122.9638 56.5865 30.8951 175.7848 32 G 3.9540 8.5437 106.4776 44.0540 0.0000 173.9314 33 A 2.5974 8.2641 125.9681 53.3759 18.5581 177.6284 34 R 3.9446 8.2807 120.8146 56.7580 28.3245 175.9589 35 Q 4.7148 7.4502 116.3189 53.1905 30.9923 173.9211 36 P 4.4344 0.0000 0.0000 63.3931 32.2094 176.2297 37 V 3.9714 8.6568 123.6312 62.6308 32.8948 175.0660 38 K 5.0294 9.1226 125.8397 54.6536 35.6122 175.0573 39 A 5.0585 8.7396 124.8950 50.8659 19.8417 176.5802 40 E 4.6010 9.2998 121.7657 54.0883 34.2758 173.8656 41 P 5.3244 0.0000 0.0000 62.2081 32.3952 176.9928 42 S 4.5777 8.5634 116.5960 57.3319 60.8153 172.4636 43 T 4.8314 7.6561 113.6631 58.3397 72.2868 173.8923 44 P 4.2284 0.0000 0.0000 65.5669 31.2602 176.8249 45 P 4.2206 0.0000 0.0000 63.8516 31.5287 176.8212 46 F 4.9136 7.7907 114.4907 57.4633 41.8778 176.5090 47 F 4.1458 9.0231 122.6659 61.5453 38.9901 175.9762 48 E 4.1387 8.2731 116.2065 57.3045 29.8299 176.9333 49 R 4.6764 8.1438 118.3900 56.2363 30.1354 176.7472 50 Q 4.9527 7.8332 114.3177 54.8753 30.7069 174.4392 51 I 4.7739 7.5612 120.0691 59.6281 38.9119 175.1796 52 W 5.1612 9.2484 125.7539 54.9261 33.5766 173.8715 53 Q 4.9039 9.4863 125.4564 55.0234 30.3815 174.3692 54 V 4.9572 9.1334 126.6429 61.6452 34.8398 174.6429 55 T 4.9999 8.5493 123.2334 62.4857 72.7045 173.3844 56 R 4.9119 8.6500 127.4118 55.5720 31.9544 174.4350 57 N 5.1523 8.7856 120.0397 50.8076 40.7741 175.0292 58 S 4.3061 8.8355 112.2223 61.2091 62.4310 174.4816 59 D 4.5024 8.3524 118.3241 54.6057 40.8834 176.5252 60 G 3.8302 8.6772 107.5259 46.5399 0.0000 173.2596 61 Q 4.9154 8.1993 116.4465 53.7968 32.7370 175.0278 62 S 5.4523 9.1590 117.5683 57.0177 67.1179 173.1019 63 T 5.2272 8.5524 110.8992 59.3339 72.2924 173.5398 64 I 4.6303 8.2438 122.0033 59.9479 40.4401 174.3403 65 K 5.3404 9.3605 126.8460 54.7318 35.6186 174.7390 66 Y 4.5490 8.8047 123.6333 55.9448 40.6766 175.1682 67 Q 4.0001 6.8721 122.9664 54.1507 32.8726 175.8168 68 G 3.5108 8.3187 109.0818 45.4538 0.0000 177.3833 69 L 3.1621 7.8566 124.7580 54.4585 43.0020 175.4985 70 N 4.8920 8.2307 122.2168 53.0096 39.8468 175.6056 71 A 4.2763 7.8031 122.0620 51.5790 18.9854 176.8181 72 P 4.7808 0.0000 0.0000 62.6966 31.5614 175.8365 73 F 5.0265 8.4777 122.2174 59.1601 46.3639 171.7620 74 E 3.5229 8.3284 120.5530 56.0706 26.4886 171.8801 75 Y 4.9496 6.4672 119.8413 55.2453 42.5106 175.6282 76 G 4.3910 8.9878 105.3150 45.8029 0.0000 171.7986 77 F 4.7480 9.2967 119.2622 58.5480 39.6235 175.0293 78 S 5.1070 8.8502 117.1233 57.1381 65.7366 172.1739 79 Y 5.0952 7.7675 120.3524 55.6072 41.3163 173.3896 80 D 4.6595 8.6442 116.8318 55.0402 42.5030 177.8266 81 Q 4.3065 8.5518 120.4234 54.6146 31.8070 174.6340 *83 E 3.9519 8.2311 115.1623 55.9052 30.5320 174.7324 84 Q 4.0590 7.5841 119.9170 58.1757 29.0282 176.8008 85 N 4.3931 9.2452 120.9422 53.2132 37.3078 174.3421 86 A 4.3474 8.2888 122.0631 51.5898 19.4894 175.7668 87 P 4.6977 0.0000 0.0000 62.7194 32.6283 176.5555 88 V 3.7145 8.1822 122.3896 62.2400 33.5212 175.0056 *90 A 4.6649 7.6490 121.5503 51.9204 18.3409 175.8586 91 G 4.4670 7.6662 112.5432 44.9213 0.0000 170.1755 92 D 5.0776 8.9473 123.6852 53.6042 41.5608 174.9157 93 P 4.5401 0.0000 0.0000 63.6547 32.1610 176.3185 94 K 4.3042 9.0554 124.2162 55.0735 34.9926 174.7381 95 E 5.0207 8.2415 119.7752 55.4531 31.2653 175.5776 96 Y 5.0078 9.3176 119.9177 56.3732 43.0607 174.4453 97 I 4.4907 8.9173 122.9652 60.2716 38.7837 175.2872 98 L 4.8349 8.5449 128.4638 53.7752 42.1099 175.8384 99 Q 4.7033 8.8695 126.9713 53.7784 30.8339 174.5861 100 L 3.7827 8.7517 129.1776 55.4196 42.9992 176.4032 101 V 4.0253 8.7014 120.2716 59.5165 33.0282 174.0843 102 P 4.0788 0.0000 0.0000 64.7414 31.6010 176.2611 103 S 4.1077 9.0946 116.5725 59.2468 59.8349 169.4926 104 T 4.7097 7.2971 114.8417 62.1912 72.0442 174.0057 105 T 4.3871 8.4586 113.2461 62.4300 70.2603 175.0707 106 D 5.0412 7.8327 119.5758 52.9832 41.9861 174.2662 107 V 4.8535 7.6292 119.6552 62.0736 33.5223 174.0172 108 Y 5.2213 9.6472 125.4057 56.1977 41.9654 174.7006 109 I 4.4580 8.8719 124.8171 61.0783 38.9119 175.1611 110 I 4.5690 8.8088 128.2693 60.4581 38.0448 174.7340 111 R 5.2426 9.0831 127.0219 54.3424 32.6665 175.8683 112 A 4.4175 8.7772 124.9999 50.8936 19.2591 177.5819 113 P 4.5550 0.0000 0.0000 62.5140 29.2321 175.9504 114 I 4.6086 7.4213 118.8972 60.5469 39.6611 176.9836 115 Q 4.0695 8.1886 120.4655 58.3557 28.6486 178.3690 116 R 4.1413 7.8597 114.8908 57.6951 30.2839 177.6050 117 V 3.6392 7.5289 117.5979 64.0592 31.6477 176.9032 118 G 4.0406 8.6927 107.0312 44.8704 0.0000 172.9663 119 V 4.6512 7.2048 110.7129 59.5303 36.2398 174.3552 120 D 4.8668 8.8173 122.1816 52.8890 42.8609 175.7713 121 V 4.6147 8.2486 123.0913 61.0616 34.2116 173.9934 122 E 5.3828 9.3129 126.5252 54.4144 34.2006 175.0160 123 V 4.0275 9.0122 123.4869 63.0611 32.0467 175.3341 124 G 4.5889 9.6356 118.3254 45.2615 0.0000 171.0393 125 V 4.9591 8.4516 119.5684 61.1687 34.8211 175.3143 126 Q 4.4593 9.0363 127.9267 55.0756 32.0240 176.1234 127 G 3.9404 8.7925 117.7027 47.1238 0.0000 173.1282 128 N 5.0359 9.0602 120.2906 52.5464 40.6397 171.8000 129 N 5.2243 8.2067 117.3010 51.1013 41.4118 174.3007 130 L 4.5953 8.4135 124.3077 55.1103 42.8209 176.7400 131 V 4.8217 8.7160 116.0685 59.7123 37.1303 173.8015 132 Y 4.8073 8.7631 119.9481 57.5884 39.0792 175.0164 133 K 5.0789 9.6475 124.2637 54.6933 35.0215 175.1751 134 F 4.9600 9.5446 123.9570 56.2170 40.6292 175.5107 135 F 4.8709 9.3224 121.1811 54.9464 43.2441 172.5665 136 P 4.7682 0.0000 0.0000 62.4804 32.0870 176.1738 137 V 4.0939 8.3909 123.9205 62.4399 33.0191 174.1971 138 D 4.9624 8.4157 129.1308 54.3410 41.4087 176.6030 139 G 4.2354 8.5378 115.2739 45.7185 0.0000 171.6698 140 S 4.4124 7.8628 112.7830 57.3844 66.8034 175.7739 141 G 3.7897 8.6058 114.9759 45.4736 0.0000 172.7494 142 G 4.5221 8.9801 118.6906 45.8661 0.0000 171.4402 143 D 4.0477 8.4307 123.2141 54.4874 39.1244 172.5947 144 R 4.5094 7.5821 122.7067 53.0525 34.7141 172.9754 145 P 4.6875 0.0000 0.0000 62.9551 32.5824 174.9404 146 A 4.9487 8.4216 122.5257 50.6061 23.8155 174.7834 147 W 5.2040 9.2555 118.1471 55.1980 33.3932 174.9611 148 R 4.8897 8.9660 126.3805 55.6397 30.6999 175.2690 149 F 5.0085 9.7211 127.5330 57.0808 39.7977 175.5819 150 T 4.7347 9.0970 115.9276 59.4741 70.7489 173.7772 151 R 3.5505 8.9496 127.5061 56.5352 30.6135 175.9931 152 E 4.2237 8.7746 125.6680 56.6370 29.1310 176.8335 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 4.39 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 A 7.47 4.43 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 3 S 9.20 4.56 0.00 3.85 3.81 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 0.00 0.00 0.00 4 L 7.94 4.32 0.00 1.19 1.26 -0.54 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.64 4.23 0.00 2.07 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 2.35 2.39 0.00 6 D 8.67 4.71 0.00 2.59 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 7 G 7.71 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 0.00 0.00 0.00 8 T 7.60 5.26 4.15 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 1.13 0.00 0.00 9 Y 9.64 5.32 0.00 2.87 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 10 R 8.84 5.30 0.00 1.91 2.00 0.00 3.05 0.00 0.00 3.04 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.42 0.00 11 L 8.80 4.83 0.00 1.42 1.48 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.87 4.16 0.00 1.58 1.66 0.00 3.05 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 0.00 13 A 8.52 3.08 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 14 V 7.66 4.13 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 0.63 0.00 0.00 0.85 0.00 0.00 15 T 7.75 4.83 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 1.28 0.00 0.00 16 T 8.61 3.89 4.28 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 1.21 0.00 0.00 17 S 8.91 4.29 0.00 3.87 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 18 N 7.60 4.94 0.00 2.74 2.56 0.00 0.00 6.78 7.59 0.00 0.00 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 P 0.00 4.44 0.00 2.17 2.11 0.00 3.81 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 1.95 1.91 0.00 20 D 7.53 4.54 0.00 2.71 2.52 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 21 P 0.00 4.26 0.00 2.03 2.04 0.00 3.65 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.13 0.00 22 G 7.04 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 0.00 0.00 0.00 23 V 8.22 3.93 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 0.74 0.00 0.00 0.95 0.00 0.00 24 G 8.43 3.84 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 0.00 0.00 0.00 25 G 9.07 3.83 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 0.00 0.00 0.00 26 E 8.10 5.26 0.00 1.79 1.75 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 2.30 2.34 0.00 27 Y 9.00 5.31 0.00 3.33 3.03 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 0.00 0.00 0.00 0.00 28 A 9.06 4.59 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.69 5.29 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 1.43 0.00 0.00 30 V 8.43 4.24 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.80 0.00 0.00 31 E 8.62 4.65 0.00 1.91 1.94 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 2.24 2.25 0.00 32 G 8.54 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 0.00 0.00 0.00 33 A 8.26 2.60 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.28 3.94 0.00 1.97 2.10 0.00 3.23 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 35 Q 7.45 4.71 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 36 P 0.00 4.43 0.00 1.90 1.97 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 37 V 8.66 3.97 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.84 0.00 0.00 38 K 9.12 5.03 0.00 1.80 1.72 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.36 7.81 39 A 8.74 5.06 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 40 E 9.30 4.60 0.00 1.48 1.12 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 1.47 1.81 0.00 41 P 0.00 5.32 0.00 2.19 2.12 0.00 2.80 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 42 S 8.56 4.58 0.00 3.57 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.66 4.83 4.35 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 1.33 0.00 0.00 44 P 0.00 4.23 0.00 2.15 2.13 0.00 3.60 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 2.08 2.07 0.00 45 P 0.00 4.22 0.00 0.49 1.49 0.00 3.52 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 1.83 1.91 0.00 46 F 7.79 4.91 0.00 3.37 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 47 F 9.02 4.15 0.00 2.98 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.27 4.14 0.00 2.04 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 2.47 2.34 0.00 49 R 8.14 4.68 0.00 1.92 1.87 0.00 3.04 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 50 Q 7.83 4.95 0.00 1.87 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.90 0.00 0.00 0.00 0.00 0.00 2.69 2.46 0.00 51 I 7.56 4.77 1.64 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.32 0.79 0.00 0.00 52 W 9.25 5.16 0.00 3.25 3.08 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 53 Q 9.49 4.90 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 54 V 9.13 4.96 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 0.73 0.00 0.00 1.04 0.00 0.00 55 T 8.55 5.00 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 1.22 0.00 0.00 56 R 8.65 4.91 0.00 1.75 1.79 0.00 3.18 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 57 N 8.79 5.15 0.00 2.81 2.89 0.00 0.00 6.93 8.45 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 58 S 8.84 4.31 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 59 D 8.35 4.50 0.00 2.88 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.68 3.83 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 0.00 0.00 0.00 61 Q 8.20 4.92 0.00 2.22 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.60 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 62 S 9.16 5.45 0.00 3.65 3.74 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 63 T 8.55 5.23 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 1.29 0.00 0.00 64 I 8.24 4.63 1.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.60 -0.07 0.00 0.00 65 K 9.36 5.34 0.00 1.71 1.72 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 66 Y 8.80 4.55 0.00 2.23 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 67 Q 6.87 4.00 0.00 1.64 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 68 G 8.32 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 3.16 0.00 1.69 1.66 0.91 1.02 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 70 N 8.23 4.89 0.00 2.71 2.82 0.00 0.00 6.82 7.35 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 71 A 7.80 4.28 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 72 P 0.00 4.78 0.00 2.33 2.25 0.00 4.05 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 2.29 2.11 0.00 73 F 8.48 5.03 0.00 3.12 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 74 E 8.33 3.52 0.00 2.19 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 0.00 2.24 2.29 0.00 75 Y 6.47 4.95 0.00 2.86 1.79 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 76 G 8.99 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 77 F 9.30 4.75 0.00 2.81 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 S 8.85 5.11 0.00 4.02 3.81 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 0.00 0.00 0.00 79 Y 7.77 5.10 0.00 2.77 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 80 D 8.64 4.66 0.00 2.62 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.55 4.31 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.39 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 *83 E 8.23 3.95 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 84 Q 7.58 4.06 0.00 1.50 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.09 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 85 N 9.25 4.39 0.00 2.94 2.98 0.00 0.00 7.02 6.86 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 86 A 8.29 4.35 1.53 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 0.00 0.00 87 P 0.00 4.70 0.00 2.08 2.06 0.00 3.84 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 2.04 1.99 0.00 88 V 8.18 3.71 1.57 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 0.34 0.00 0.00 0.03 0.00 0.00 *90 A 7.65 4.66 1.20 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 0.00 0.00 91 G 7.67 4.47 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 0.00 92 D 8.95 5.08 0.00 2.65 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 93 P 0.00 4.54 0.00 2.01 2.15 0.00 3.78 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 94 K 9.06 4.30 0.00 1.05 0.84 0.00 0.78 0.00 0.00 1.15 0.00 0.00 2.66 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.19 0.33 7.81 95 E 8.24 5.02 0.00 1.80 1.85 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 2.21 2.28 0.00 96 Y 9.32 5.01 0.00 2.90 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 97 I 8.92 4.49 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.94 0.00 0.00 98 L 8.54 4.83 0.00 1.30 1.33 0.84 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.87 4.70 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 100 L 8.75 3.78 0.00 1.48 1.50 0.53 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.70 4.03 1.99 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 0.69 0.00 0.00 0.85 0.00 0.00 102 P 0.00 4.08 0.00 1.98 1.98 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 103 S 9.09 4.11 0.00 4.01 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 0.00 104 T 7.30 4.71 4.41 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 1.14 0.00 0.00 105 T 8.46 4.39 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 0.00 106 D 7.83 5.04 0.00 3.13 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 0.00 107 V 7.63 4.85 1.99 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 0.97 0.00 0.00 0.93 0.00 0.00 108 Y 9.65 5.22 0.00 2.89 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 0.00 109 I 8.87 4.46 1.92 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 1.38 0.58 1.01 0.00 0.00 110 I 8.81 4.57 1.86 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.94 0.67 0.00 0.00 111 R 9.08 5.24 0.00 1.82 1.88 0.00 3.14 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 112 A 8.78 4.42 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.56 0.00 2.02 2.18 0.00 3.35 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 114 I 7.42 4.61 1.78 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.24 0.75 0.00 0.00 115 Q 8.19 4.07 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 116 R 7.86 4.14 0.00 1.79 1.98 0.00 3.20 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 117 V 7.53 3.64 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 0.76 0.00 0.00 0.91 0.00 0.00 118 G 8.69 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 0.00 0.00 0.00 119 V 7.20 4.65 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 0.86 0.00 0.00 0.96 0.00 0.00 120 D 8.82 4.87 0.00 3.01 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 0.00 121 V 8.25 4.61 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 -0.24 0.00 0.00 122 E 9.31 5.38 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 2.33 2.48 0.00 123 V 9.01 4.03 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 0.34 0.00 0.00 0.77 0.00 0.00 124 G 9.64 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.45 4.96 2.05 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 0.86 0.00 0.00 1.02 0.00 0.00 126 Q 9.04 4.46 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.37 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 127 G 8.79 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 0.00 0.00 0.00 128 N 9.06 5.04 0.00 2.67 2.79 0.00 0.00 6.66 6.92 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 0.00 129 N 8.21 5.22 0.00 2.82 2.66 0.00 0.00 7.05 6.31 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 0.00 130 L 8.41 4.60 0.00 1.31 1.16 0.97 -0.22 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 0.00 131 V 8.72 4.82 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 0.86 0.00 0.00 1.01 0.00 0.00 132 Y 8.76 4.81 0.00 3.16 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 0.00 133 K 9.65 5.08 0.00 1.97 1.47 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.70 7.81 134 F 9.54 4.96 0.00 2.74 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 0.00 135 F 9.32 4.87 0.00 3.05 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 0.00 136 P 0.00 4.77 0.00 2.01 2.03 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 137 V 8.39 4.09 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 0.82 0.00 0.00 1.05 0.00 0.00 138 D 8.42 4.96 0.00 2.67 2.22 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 0.00 139 G 8.54 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 0.00 140 S 7.86 4.41 0.00 3.81 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 0.00 141 G 8.61 3.79 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 0.00 0.00 0.00 142 G 8.98 4.52 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 0.00 143 D 8.43 4.05 0.00 2.69 2.63 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 0.00 144 R 7.58 4.51 0.00 1.50 1.58 0.00 2.21 0.00 0.00 2.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.21 0.00 145 P 0.00 4.69 0.00 2.28 2.08 0.00 3.66 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 2.11 2.21 0.00 146 A 8.42 4.95 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 0.00 147 W 9.26 5.20 0.00 3.43 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 0.00 148 R 8.97 4.89 0.00 1.96 1.87 0.00 3.16 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.99 0.00 149 F 9.72 5.01 0.00 2.85 2.75 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 0.00 150 T 9.10 4.73 4.38 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 1.39 0.00 0.00 151 R 8.95 3.55 0.00 1.69 1.89 0.00 3.01 0.00 0.00 2.54 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 152 E 8.77 4.22 0.00 1.91 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 2.32 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.