NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.2309 8.2033 121.7045 56.1024 30.0883 175.8487 5 L 4.2400 8.6611 114.9920 53.1596 42.4754 175.7569 6 R 4.1448 7.8285 117.8260 57.9192 29.5763 178.1697 7 K 3.9413 7.9045 121.1510 59.5258 32.2662 178.3097 8 K 3.9502 8.0884 118.7787 60.0596 31.9787 179.2108 9 T 3.9914 8.1843 115.2949 66.6693 68.2592 176.1352 10 L 3.9753 7.9674 122.0217 58.2451 42.0468 178.9618 11 E 3.9488 8.4206 118.3446 59.4794 29.2191 179.3000 12 A 4.0209 8.4826 119.9300 54.7591 18.7976 179.3303 13 L 4.0659 8.2875 119.5382 58.3496 42.1741 179.1612 14 S 4.3115 8.1609 111.6513 60.3064 63.0078 175.2089 15 A 4.2963 7.5319 123.8157 52.6944 19.2376 177.7533 16 L 3.9954 7.1894 117.1830 54.6268 42.4686 177.4015 17 S 4.0966 8.7462 118.3799 59.2290 63.2979 174.8775 18 N 4.2705 9.0401 123.2388 56.9980 38.6040 176.5723 19 E 3.9179 8.1129 119.7674 58.7017 29.7174 178.2106 20 D 4.3226 8.0331 118.5422 57.4583 41.2884 177.8826 21 I 3.6097 7.8295 119.8525 64.3988 37.0362 177.7881 22 L 3.9858 7.2998 122.0577 57.7946 41.5048 179.1160 23 Q 3.9587 7.6091 116.4040 58.8398 28.3753 179.1464 24 K 3.8487 7.8946 118.8100 59.6049 32.4295 179.2681 25 T 3.4663 7.9050 110.2475 64.4883 68.3648 175.7449 26 E 3.9898 7.6830 121.6408 58.9696 29.6579 180.2383 27 R 3.6617 7.2425 117.6488 56.5600 30.7143 178.6485 *29 Y 4.0884 8.1012 116.6376 57.9365 39.9288 177.9227 30 K 3.8699 7.8617 118.9546 59.6448 31.8407 178.9097 31 Y 4.3466 7.5438 115.8530 61.0036 38.1582 178.4528 32 L 3.9107 7.3175 120.4849 58.2659 42.1328 178.9643 33 F 3.7443 7.1982 116.6272 59.6302 38.6991 176.5813 34 S 4.9959 7.4638 113.9453 56.5241 63.7719 173.0865 35 L 4.6271 7.4091 124.5740 53.4532 43.4860 175.3342 36 P 4.2885 0.0000 0.0000 66.0597 31.0960 178.3460 37 E 4.1849 8.2614 114.9872 57.9448 29.6385 177.9743 38 W 4.5417 8.7514 128.9657 59.7053 30.9739 178.0267 39 Q 4.0724 8.4498 117.3017 58.3724 27.9926 177.5712 40 N 4.7408 7.8091 114.3504 51.9645 39.3707 174.5290 41 A 4.3711 7.3579 125.0077 51.2126 20.2235 177.5157 42 G 3.7469 8.8659 110.7084 48.8552 0.0000 173.3827 43 T 5.1826 9.4803 119.5903 61.2531 71.0988 173.5742 44 I 4.9339 8.7694 126.4552 59.3926 40.7701 174.1842 45 A 5.1330 8.5274 128.8028 50.6830 20.3443 176.6229 46 V 4.7404 8.8443 121.3169 61.0168 35.6302 173.4148 47 T 4.8308 8.3491 109.5492 59.5401 71.4515 173.7948 48 I 3.9075 8.3013 123.5442 59.9735 36.8911 176.4399 49 S 4.6320 8.6434 121.1670 58.2120 64.0463 173.4411 50 R 4.6369 9.0565 116.1523 55.6984 33.3347 179.1882 51 G 3.8184 8.2575 109.5475 47.2799 0.0000 174.6746 52 L 4.4133 8.7845 123.1345 54.2963 41.7803 175.8354 53 E 4.3481 7.9462 119.3400 55.8722 30.1239 176.1763 54 I 4.0124 8.1871 121.2309 59.9230 37.4691 174.4103 55 P 4.3791 0.0000 0.0000 63.7323 31.2595 176.7032 56 T 4.3592 8.8636 114.3075 62.6110 69.3321 176.5428 57 R 3.1767 7.7438 121.9362 59.3028 29.7952 175.9655 58 P 4.1602 0.0000 0.0000 65.5851 31.1188 178.7901 59 V 3.7386 7.6191 117.0605 65.8565 31.4693 178.2943 60 I 3.4017 7.4366 119.1123 64.1934 37.0650 177.6799 61 E 3.9122 8.2997 120.5369 59.4216 29.2133 178.7043 62 Q 3.8340 8.0101 119.2483 58.6499 28.9818 177.7405 63 A 3.9659 8.0506 121.9604 54.9904 18.3776 179.7246 64 W 4.3359 8.1486 117.4607 59.9659 28.9505 178.4040 65 E 4.0902 8.1706 117.8551 58.4157 28.9226 177.6453 66 E 4.6447 7.7153 117.2635 55.0084 30.4691 175.7007 67 G 4.0098 8.4815 106.2982 46.6721 0.0000 174.1419 68 K 4.6605 8.0992 117.3598 54.3843 34.4303 177.3110 69 Q 4.4143 9.0388 122.4901 56.0063 30.3346 175.3798 70 V 5.1000 8.5659 121.4135 61.3174 35.3009 173.7703 71 C 5.6018 9.4786 122.2833 56.4446 33.0289 172.8961 72 I 5.7032 8.8840 114.2318 57.4437 40.6559 173.1435 73 P 4.0646 0.0000 0.0000 61.9258 32.4063 176.2666 74 K 4.2769 7.1844 119.9552 54.0290 32.3854 175.7746 75 C 4.0857 7.4727 112.7702 59.1951 29.9741 173.8954 76 H 4.8086 9.1575 119.0696 54.5168 29.8314 173.4937 77 P 4.6527 0.0000 0.0000 63.4106 32.7820 177.2977 78 D 4.5705 9.1098 117.6937 55.2607 39.4824 173.7435 79 T 4.7239 7.6860 111.8499 60.2695 70.5254 172.5713 80 K 4.0136 8.3587 122.4825 56.4628 32.8434 177.1603 81 K 4.3140 7.5377 118.6394 55.4377 33.5381 175.0310 *83 Q 4.5155 8.2308 119.4872 55.5766 30.2258 174.9078 84 F 4.3146 8.8158 123.3464 57.4268 40.5089 174.7468 85 R 4.9052 8.9732 121.4286 54.2304 34.1151 175.0674 86 T 4.4726 8.0672 119.1644 64.6337 69.4081 173.2033 87 Y 5.0283 9.3601 125.8989 56.0795 41.0522 175.2546 88 Q 3.9938 8.9883 125.7541 55.0751 29.7402 175.8425 89 T 2.0000 7.1347 116.2229 63.2168 68.4747 173.0560 90 D 4.6579 6.9022 126.3167 52.3243 42.1236 176.1746 91 D 4.6208 8.6663 126.1162 55.9190 41.2007 176.9301 92 Q 4.6714 9.3786 119.4899 55.5268 29.5119 176.9681 93 L 4.2535 8.1628 123.3312 58.8384 42.0280 178.8739 94 E 4.1290 8.2864 118.3630 59.4555 29.6345 178.7428 95 T 4.0193 8.1531 116.2079 66.2845 68.3817 177.0052 96 V 4.3713 7.6621 121.1901 65.9544 31.6349 177.6366 97 Y 3.7330 8.3598 115.8885 60.2736 37.4711 177.4079 98 A 4.4693 7.8086 119.5869 52.0397 18.7839 177.9700 99 G 3.8290 8.0240 105.3575 46.1346 0.0000 174.1730 100 L 4.5566 7.4885 117.0582 53.0766 42.1743 176.2325 101 L 4.5681 7.2770 118.6774 54.4326 44.2101 173.1003 102 E 4.2433 8.8014 126.9205 55.2457 30.0467 175.3034 103 P 4.2460 0.0000 0.0000 62.6513 31.5433 176.2355 104 V 3.8622 8.4647 124.0365 60.9867 32.0129 176.0729 105 I 4.5321 7.9318 118.1403 58.4491 39.4542 176.3363 *107 K 4.8462 8.6658 128.5111 56.8713 32.6983 178.5866 108 T 4.0436 9.1812 125.5017 62.9711 67.6175 173.0336 109 K 4.6643 8.1576 129.3799 53.3848 32.2622 174.5371 110 E 3.9919 8.2707 121.1772 56.6844 30.6976 176.8136 111 V 4.5325 8.2122 125.4883 60.8618 33.4909 174.9971 112 N 4.6226 9.4676 126.3450 52.5568 39.4801 174.6126 113 P 4.3633 0.0000 0.0000 66.1460 31.3933 178.7241 114 S 4.3538 8.1913 108.9272 60.0513 62.7485 174.4623 115 Q 4.3902 8.3475 119.7878 56.3221 29.3881 175.5043 116 I 4.2322 7.9721 120.3712 60.4306 37.8109 175.2312 117 D 4.5195 8.6917 125.9366 56.4389 41.5120 175.9483 118 L 5.0021 7.3161 119.1811 53.0863 46.1784 173.8348 *120 I 4.4931 8.1890 119.0321 61.4169 38.0628 175.8213 121 V 4.0252 8.6078 129.1043 60.8169 31.8375 174.2546 122 P 4.6712 0.0000 0.0000 62.8757 32.2491 175.4414 123 G 3.7043 8.4344 106.8615 45.1833 0.0000 173.2803 124 V 4.0929 7.4204 118.5955 62.2007 33.0381 176.3636 125 C 5.1827 7.3636 117.1690 57.7049 31.9051 173.4426 126 F 5.5556 9.5309 121.5422 55.7176 43.5140 173.1420 127 D 5.8500 8.8567 118.4171 50.5294 42.6284 177.3545 128 V 3.7364 8.6787 111.7801 64.3237 31.6578 177.0927 129 N 4.6872 8.4045 115.5869 53.2186 38.4123 176.1048 130 G 4.0384 8.1553 106.3430 46.2400 0.0000 173.9301 131 F 4.9505 8.9318 119.7047 57.3413 40.2329 174.7292 132 R 4.8059 8.6006 117.1139 54.5131 33.4153 174.3362 133 V 4.0709 8.3609 119.7782 61.0229 33.4517 176.2501 134 G 4.0888 8.3685 118.8288 45.5440 0.0000 171.7040 135 F 4.4322 9.8349 116.3084 57.6894 39.9149 175.4593 136 G 3.5994 8.8687 113.4215 45.7820 0.0000 175.0912 137 G 3.7206 8.2880 109.5862 47.6487 0.0000 174.6170 138 G 4.2455 8.4272 106.8040 45.9486 0.0000 174.8277 139 Y 4.0891 7.9970 119.4328 61.1024 37.9053 177.7160 140 Y 4.2764 8.2142 117.2417 61.1469 38.2558 177.8026 141 D 4.7922 8.4531 119.1540 56.6515 40.1456 177.9904 142 R 4.2623 7.5772 118.0534 58.1013 30.7003 177.6599 143 Y 4.0582 8.4361 119.9055 60.6917 38.8503 177.6409 144 L 4.3565 8.8698 120.1399 57.7141 41.4437 179.4052 145 S 4.3008 7.6580 113.0614 60.1236 62.3690 174.1590 146 E 4.6905 7.9196 120.7464 56.0413 30.1327 174.8342 147 Y 4.8239 7.9328 119.6885 56.1694 40.8229 175.2860 148 E 4.3767 8.6092 125.3241 55.9871 30.0380 175.9489 149 G 3.6762 5.3800 108.4187 42.7238 0.0000 173.6511 150 K 4.5035 7.8098 118.4571 56.5610 32.8941 177.4308 151 T 4.8722 8.5224 112.6835 60.1582 72.1605 172.7650 152 V 4.9008 8.4765 124.0574 61.2811 35.3252 173.8135 153 S 4.9049 8.7408 122.2053 56.7544 66.3677 173.3210 154 L 4.6174 8.3870 124.4328 53.9229 43.1160 175.9543 155 L 4.4337 7.7553 119.1868 55.3215 43.9802 173.9473 156 L 4.6213 8.4016 121.0719 54.1436 42.6383 177.8690 157 E 3.8343 9.3787 123.2015 59.6294 29.5700 178.5549 158 C 4.2750 7.9603 109.5799 58.8968 29.6475 173.4896 159 Q 4.3275 8.1230 120.8504 56.4084 31.2205 175.2441 160 L 4.6344 7.3059 121.4857 54.3295 42.9744 176.2244 161 F 5.1379 9.2263 124.2229 55.3544 42.2875 175.9734 162 A 4.0836 9.0495 124.9506 55.8065 18.3295 177.7274 163 H 4.7710 7.9407 111.8529 55.1324 32.7853 172.5414 164 V 4.2787 7.9572 125.5222 60.0031 33.4647 172.1964 165 P 4.1235 0.0000 0.0000 63.1707 30.7833 175.8861 166 R 4.2710 7.8854 122.8641 55.1710 32.1066 175.7245 167 L 4.3329 7.3980 116.1995 53.1904 45.1826 174.6149 168 P 4.5633 0.0000 0.0000 62.9463 31.1342 174.9960 169 H 4.5567 8.4466 130.3556 56.2193 34.1923 177.0337 170 D 4.6477 9.4341 112.3060 52.4328 40.7187 176.7012 171 I 4.1766 8.1844 114.8382 60.0436 38.6899 173.2527 172 P 4.7401 0.0000 0.0000 60.9222 32.6396 175.7966 173 V 3.8930 8.4151 112.9260 61.6744 32.2320 177.2989 174 H 4.5347 9.0798 119.6305 58.3466 30.1192 175.7428 175 K 4.8157 8.0808 119.8648 55.0782 35.5866 176.0624 176 L 4.6167 8.8934 128.1441 54.3707 44.2169 176.0621 177 I 4.3135 7.6482 116.9749 61.4949 41.2618 172.9633 178 T 5.7121 8.8828 127.4036 59.5873 69.5631 173.1949 179 E 4.0075 8.5737 117.0013 57.7881 30.2700 176.6172 180 D 4.7832 7.4922 117.7849 55.4345 42.8138 175.7610 181 R 4.5735 7.5303 112.9537 55.1132 32.3596 172.7227 182 I 4.6983 7.8672 117.7301 59.5131 39.8718 175.3864 183 I 4.3804 8.2772 127.4870 59.5627 39.6606 174.7380 184 S 4.7104 8.5146 123.4718 57.6528 63.9600 173.2887 185 C 4.4823 8.4166 122.7693 57.6582 29.7615 174.1344 186 F 4.2898 8.4895 120.7206 57.9020 38.5376 175.1779 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 4 Q 8.20 4.23 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.07 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 5 L 8.66 4.24 0.00 1.57 1.43 0.74 0.40 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 6 R 7.83 4.14 0.00 2.03 2.17 0.00 2.78 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 7 K 7.90 3.94 0.00 1.88 1.84 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.78 7.81 8 K 8.09 3.95 0.00 2.15 2.00 0.00 1.62 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.57 7.81 9 T 8.18 3.99 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 1.30 0.00 0.00 10 L 7.97 3.98 0.00 1.86 1.98 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.42 3.95 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 12 A 8.48 4.02 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 13 L 8.29 4.07 0.00 2.14 1.69 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.16 4.31 0.00 4.07 4.02 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 15 A 7.53 4.30 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 16 L 7.19 4.00 0.00 1.90 1.61 0.89 0.67 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 17 S 8.75 4.10 0.00 3.93 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 18 N 9.04 4.27 0.00 2.75 2.82 0.00 0.00 6.85 7.65 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 19 E 8.11 3.92 0.00 2.11 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 2.41 0.00 20 D 8.03 4.32 0.00 2.86 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 21 I 7.83 3.61 1.85 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 1.50 0.68 0.88 0.00 0.00 22 L 7.30 3.99 0.00 1.66 1.85 0.94 0.55 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 23 Q 7.61 3.96 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 24 K 7.89 3.85 0.00 1.60 1.72 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.33 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.56 7.81 25 T 7.90 3.47 3.61 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 1.12 0.00 0.00 26 E 7.68 3.99 0.00 2.13 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 2.34 2.47 0.00 27 R 7.24 3.66 0.00 1.65 1.31 0.00 2.97 0.00 0.00 3.02 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 *29 Y 8.10 4.09 0.00 3.09 2.33 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 30 K 7.86 3.87 0.00 1.72 1.81 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.87 1.60 7.81 31 Y 7.54 4.35 0.00 2.70 2.81 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 32 L 7.32 3.91 0.00 1.43 1.06 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.20 3.74 0.00 2.88 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 34 S 7.46 5.00 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.41 4.63 0.00 2.14 1.74 0.95 0.85 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 36 P 0.00 4.29 0.00 2.23 2.13 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 37 E 8.26 4.18 0.00 2.02 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 2.35 2.45 0.00 38 W 8.75 4.54 0.00 3.51 3.39 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 39 Q 8.45 4.07 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.80 2.98 0.00 40 N 7.81 4.74 0.00 3.03 2.84 0.00 0.00 6.92 6.79 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 41 A 7.36 4.37 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 42 G 8.87 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 43 T 9.48 5.18 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 1.23 0.00 0.00 44 I 8.77 4.93 1.76 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.61 1.00 0.00 0.00 45 A 8.53 5.13 0.54 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 0.00 0.00 46 V 8.84 4.74 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.04 0.00 0.00 47 T 8.35 4.83 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 1.39 0.00 0.00 48 I 8.30 3.91 1.59 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 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2.06 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 84 F 8.82 4.31 0.00 2.96 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 85 R 8.97 4.91 0.00 1.68 1.78 0.00 3.15 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 86 T 8.07 4.47 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 1.31 0.00 0.00 87 Y 9.36 5.03 0.00 2.84 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 88 Q 8.99 3.99 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 89 T 7.13 2.00 3.64 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 0.61 0.00 0.00 90 D 6.90 4.66 0.00 2.81 2.81 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 91 D 8.67 4.62 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.86 5.85 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 0.00 128 V 8.68 3.74 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 0.78 0.00 0.00 1.03 0.00 0.00 129 N 8.40 4.69 0.00 3.15 2.90 0.00 0.00 6.99 7.65 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 0.00 130 G 8.16 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 0.00 131 F 8.93 4.95 0.00 3.46 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 0.00 132 R 8.60 4.81 0.00 0.90 1.31 0.00 3.02 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 133 V 8.36 4.07 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 0.84 0.00 0.00 0.87 0.00 0.00 134 G 8.37 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 0.00 135 F 9.83 4.43 0.00 3.14 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 0.00 136 G 8.87 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.29 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.43 4.25 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 0.00 139 Y 8.00 4.09 0.00 2.94 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 0.00 140 Y 8.21 4.28 0.00 3.26 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 0.00 141 D 8.45 4.79 0.00 2.79 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 0.00 142 R 7.58 4.26 0.00 2.07 2.15 0.00 3.16 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 143 Y 8.44 4.06 0.00 3.30 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 0.00 144 L 8.87 4.36 0.00 1.94 1.89 1.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 145 S 7.66 4.30 0.00 4.24 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 0.00 146 E 7.92 4.69 0.00 1.86 1.84 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 2.22 2.18 0.00 147 Y 7.93 4.82 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.61 4.38 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 149 G 5.38 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 K 7.81 4.50 0.00 1.85 1.83 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.59 1.57 7.81 151 T 8.52 4.87 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 1.52 0.00 0.00 152 V 8.48 4.90 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 1.16 0.00 0.00 1.00 0.00 0.00 153 S 8.74 4.90 0.00 3.49 3.57 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 0.00 154 L 8.39 4.62 0.00 1.47 1.46 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.76 4.43 0.00 1.83 1.49 0.62 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.40 4.62 0.00 1.69 1.55 0.88 0.60 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 0.00 157 E 9.38 3.83 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 158 C 7.96 4.28 0.00 3.10 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 0.00 159 Q 8.12 4.33 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.64 2.27 0.00 160 L 7.31 4.63 0.00 1.54 1.44 0.86 0.77 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 0.00 161 F 9.23 5.14 0.00 3.10 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 0.00 162 A 9.05 4.08 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 0.00 163 H 7.94 4.77 0.00 3.15 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 7.96 4.28 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 0.89 0.00 0.00 1.16 0.00 0.00 165 P 0.00 4.12 0.00 2.02 2.01 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 166 R 7.89 4.27 0.00 1.43 1.24 0.00 2.31 0.00 0.00 2.83 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.53 0.00 167 L 7.40 4.33 0.00 1.05 1.26 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 168 P 0.00 4.56 0.00 2.15 2.07 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 169 H 8.45 4.56 0.00 3.19 2.97 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 D 9.43 4.65 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 I 8.18 4.18 1.89 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 1.53 0.55 0.98 0.00 0.00 172 P 0.00 4.74 0.00 1.85 0.49 0.00 3.64 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.24 0.00 173 V 8.42 3.89 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 1.00 0.00 0.00 1.03 0.00 0.00 174 H 9.08 4.53 0.00 3.27 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.08 4.82 0.00 1.72 1.59 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.48 7.81 176 L 8.89 4.62 0.00 1.48 1.40 0.73 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 177 I 7.65 4.31 1.81 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 1.08 1.20 0.88 0.00 0.00 178 T 8.88 5.71 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 179 E 8.57 4.01 0.00 1.94 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 2.19 2.18 0.00 180 D 7.49 4.78 0.00 2.78 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 0.00 181 R 7.53 4.57 0.00 1.82 2.00 0.00 3.05 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 182 I 7.87 4.70 1.62 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.11 0.81 0.00 0.00 183 I 8.28 4.38 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.77 0.89 0.00 0.00 184 S 8.51 4.71 0.00 3.49 3.57 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 0.00 185 C 8.42 4.48 0.00 2.85 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 0.00 186 F 8.49 4.29 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.