NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 N 4.5287 8.4244 119.2160 53.3976 40.4322 173.4642 *56 D 4.5083 7.7829 115.0648 54.0190 42.8208 173.6702 57 I 4.8046 7.9496 120.9640 60.1782 41.0648 173.4677 58 K 4.7077 8.7200 125.9997 55.2118 37.3280 174.8606 59 I 4.7758 8.4956 122.2050 59.7070 39.5028 175.7663 60 K 4.2801 9.8049 129.1943 55.0052 33.1858 178.4189 61 G 3.9469 9.1855 117.5537 45.9022 0.0000 172.1885 62 D 5.0977 9.0426 116.9746 53.0159 41.9555 177.1330 63 T 5.1774 8.2004 115.8709 62.2838 72.6868 173.3873 64 I 4.4015 9.0966 127.3735 61.1437 39.0720 175.2135 65 V 4.5937 8.5882 125.2713 61.2051 34.1093 174.3596 66 S 4.7885 8.7222 121.3015 56.5573 66.3973 174.5957 67 D 4.5854 7.8513 120.4258 57.3448 40.8039 178.6746 68 K 4.2926 7.4655 118.3407 58.1060 32.9286 175.9701 69 F 5.1797 6.9685 112.0165 56.3718 41.8761 172.8738 70 E 5.5772 9.0244 117.6977 53.5230 33.1632 174.7130 71 A 5.3472 8.8784 126.0503 50.0785 21.9986 174.8829 72 K 4.7245 8.5261 123.7466 55.3802 33.3270 176.4035 73 I 4.3339 8.8489 130.0301 60.2492 36.9779 176.1884 74 K 4.2908 8.4324 126.9539 55.7367 32.9796 177.1218 75 E 3.9889 8.7066 123.5721 55.9806 29.8803 175.0712 76 P 4.6355 0.0000 0.0000 62.6287 32.9750 174.6496 77 F 4.7121 7.4632 113.4977 56.2873 41.7164 172.6574 78 I 4.6342 8.3930 120.5369 60.0498 39.2463 174.9872 79 I 4.7790 8.3126 127.6116 60.1723 38.8840 174.5439 80 N 4.9170 9.0428 127.4078 52.2395 39.0059 173.3779 81 E 4.5441 8.9065 128.1059 55.5119 28.9379 176.9315 82 K 4.1355 8.8609 127.6123 59.0868 32.9533 179.0296 83 D 4.5878 8.5960 118.8790 56.6203 40.8597 177.5057 84 E 4.4881 8.6923 116.3262 57.5057 30.3448 176.3070 85 K 3.9675 7.4674 113.6543 58.2244 30.4324 174.8534 86 K 4.6669 7.7542 117.5435 54.5794 37.1372 177.4267 87 K 4.9950 8.3170 121.5220 54.8472 35.9239 174.6422 88 Y 5.1246 8.7380 119.8017 56.2329 42.3323 174.1354 89 I 4.6150 8.8775 121.9786 59.3322 40.3692 174.0433 90 A 4.7395 8.1682 130.9100 49.9804 21.2809 175.0471 91 F 4.5303 9.0643 123.0318 55.7720 39.9433 176.2281 92 K 4.0707 8.1261 123.9381 55.7262 34.4369 176.2954 *94 E 4.5572 8.5413 119.1560 56.7769 30.6489 174.7066 95 I 4.7409 8.5126 125.6890 60.6844 39.1317 174.8429 96 T 5.0408 8.8121 120.6747 60.0853 70.0153 172.8451 97 A 4.5474 8.7770 131.3620 52.1089 18.8418 177.1190 98 K 4.5487 9.1160 119.0447 56.0927 34.6030 175.7613 99 K 4.6019 7.9466 118.4930 54.4095 35.8039 173.7921 100 D 4.9057 8.2940 119.0641 53.1354 41.7811 175.3639 101 D 4.3862 8.3971 124.0572 53.4593 43.8324 176.2204 102 K 4.1097 8.8433 127.5281 59.5641 32.2464 178.2390 103 D 4.5465 8.0077 116.9789 56.2295 41.2877 177.2921 104 L 4.4264 8.3931 122.5434 53.0552 40.3457 175.0669 105 N 5.4256 8.0116 119.3820 49.9204 41.7568 173.8207 106 P 4.3878 0.0000 0.0000 66.0671 31.5196 179.1643 107 S 4.1747 8.4875 114.3415 61.3448 62.8531 176.2794 108 S 4.4799 8.0456 114.9529 59.4017 63.1608 176.5185 109 I 3.7362 7.4867 124.7571 64.4665 36.9654 178.0853 110 S 3.8033 7.5377 115.0728 61.5857 62.3135 175.8219 111 H 4.0558 7.7658 120.6718 59.2185 29.7341 176.7979 112 D 3.9675 7.5658 118.9786 56.4906 40.8705 176.5404 113 Y 4.7678 8.1636 113.6753 57.1215 40.7666 175.1997 114 I 5.0584 8.0292 120.2487 59.4709 40.8418 174.4490 115 N 4.9516 8.7752 123.5234 51.4736 41.5210 173.5707 116 I 4.6935 7.8980 124.2246 60.0837 39.4539 174.7902 117 T 5.2062 8.6893 115.3142 60.1154 72.9830 172.4214 118 Q 4.9718 8.9923 122.7913 54.5152 32.7475 173.9225 119 D 4.8601 9.0866 126.5948 54.7484 41.4115 174.7728 120 D 4.8396 8.5679 119.9503 52.8476 45.1984 176.2348 121 K 4.0467 8.8858 119.8940 59.1197 31.9431 178.0136 122 N 4.8938 8.0819 111.9913 52.9126 40.6395 173.7908 123 T 4.6343 7.3810 107.9712 59.5417 72.0226 172.5029 124 V 4.4755 8.1523 120.8022 61.2369 33.4788 174.1742 125 N 4.8004 9.0564 126.9923 51.7373 40.0759 174.7984 126 K 4.3156 8.7084 125.8986 56.4880 33.0687 175.6663 127 L 4.7575 8.3691 127.5927 53.2337 43.2545 176.9615 128 R 4.3873 8.5618 122.1786 55.8665 31.8912 175.2768 129 D 4.4869 8.6431 120.7503 54.2301 41.4308 176.5773 130 G 4.0432 8.4608 110.6491 45.0621 0.0000 172.7875 131 Y 4.6308 8.0105 117.5161 55.8163 41.6978 175.0643 132 L 4.3315 8.0725 123.5704 52.9097 43.5222 176.5175 133 L 4.1537 8.6468 123.4825 57.4891 41.6873 177.0401 134 S 4.9874 7.7825 109.0618 57.3316 65.7071 173.5786 135 D 4.8656 8.1695 117.3635 51.7771 39.2136 177.6422 136 K 4.0963 8.6454 123.4481 60.6773 32.6562 178.1074 137 K 3.7660 8.4110 118.4790 59.6260 32.1314 177.3590 138 Y 4.7890 7.5892 114.5048 57.7057 38.1154 177.1613 139 K 3.6985 7.8194 124.2102 60.1320 31.8620 177.7658 140 D 4.3107 8.3025 116.5767 56.6361 41.1660 177.3791 141 W 4.5521 9.2646 117.8150 56.6654 30.3467 177.1867 142 T 4.6477 7.9920 110.2493 61.4155 69.7492 175.7112 143 E 4.0389 7.9869 119.1535 58.9435 29.5445 177.4721 144 H 5.1492 7.9406 114.8341 55.5833 29.4285 175.7504 145 N 4.4445 8.6377 120.1673 55.6406 38.4092 176.4315 146 Q 4.5823 8.0302 114.6716 55.7978 30.1952 175.1526 147 D 4.8574 7.8786 118.0023 52.6070 42.4926 176.0726 148 Q 4.4787 8.3799 122.7467 56.3331 30.1555 174.9220 149 I 4.5188 7.8000 124.3800 59.1667 39.0491 176.1509 150 K 4.0959 8.6393 126.0482 56.1435 32.8453 177.7458 151 K 4.2651 8.4094 123.3171 58.5817 31.9640 177.7238 152 G 3.9777 8.0131 103.3446 45.1561 0.0000 172.6460 153 K 4.6423 7.9645 120.0600 54.9955 35.3281 175.1704 154 T 5.2575 8.3310 116.6492 61.9527 71.5893 173.6444 155 A 4.7868 9.3457 126.7422 50.0747 23.2212 174.7043 156 Q 4.5140 8.4641 118.3265 55.2810 29.4710 175.4124 157 A 5.3221 8.2299 127.6349 49.6033 21.7254 173.9706 *159 F 4.6948 8.3984 111.6604 57.9099 40.8634 174.2897 160 I 4.8866 7.9356 123.6349 59.7529 39.6707 174.2101 161 Y 5.1200 8.7829 123.2005 56.1558 42.2585 174.1914 162 E 4.6300 9.1612 124.6105 55.4643 30.1508 176.3505 163 L 4.4300 8.5082 128.0204 54.7421 42.8518 177.8219 164 R 4.1580 8.4847 117.5614 57.8397 30.5800 174.9259 165 G 3.7813 9.7682 111.3377 44.6818 0.0000 171.8803 166 D 3.3700 7.6950 117.7525 52.3500 39.5739 175.4525 167 G 4.3945 7.3983 106.8429 45.3226 0.0000 173.8269 168 N 4.9197 8.6253 116.6459 53.4203 40.0527 174.4473 169 I 4.9976 8.7425 121.6359 59.8733 40.3547 174.4508 170 N 5.5357 9.2704 123.0123 51.4430 42.0306 173.0502 171 L 4.7462 9.4577 126.2220 53.8023 44.0056 175.0579 172 N 5.5050 9.3400 123.7712 51.6114 42.0629 173.8783 173 V 5.0279 8.5644 120.0699 61.5721 35.0856 174.0218 174 H 5.3511 8.6980 121.2296 53.6459 31.8067 173.2027 175 K 4.4025 8.7723 119.3682 56.1755 32.3519 176.1001 176 Y 3.7341 8.6351 119.9903 61.8001 38.4052 177.7056 177 S 4.2458 7.8951 114.8569 60.9935 63.3261 174.1484 178 E 4.1451 8.0036 120.6317 56.4978 29.9010 176.5432 179 D 4.5695 8.3913 121.6003 52.6072 39.8007 176.1203 180 K 3.9112 7.9745 121.1476 57.1087 32.4299 176.6362 181 T 4.2064 8.5130 123.4282 64.0868 68.9121 173.9626 182 V 4.2618 8.8510 126.2090 63.9891 33.6533 174.5144 183 D 4.6104 7.8090 117.6491 54.0374 44.5789 173.6573 184 S 5.1374 8.2944 114.6616 57.3924 65.6377 172.9073 185 K 4.6496 9.0615 123.4714 54.8942 35.7371 174.9757 186 S 5.4198 8.3660 120.7322 56.7766 66.4736 173.3794 187 F 4.8600 9.2902 120.8220 55.5057 42.7825 174.6846 188 K 4.6754 8.7937 123.3209 56.1035 32.8184 177.7268 189 F 4.0972 9.1994 126.9730 61.2302 39.5881 177.1322 190 S 4.1836 8.4005 113.7197 60.9387 62.3953 175.1320 191 K 4.4757 7.6705 117.0632 55.7660 32.2918 176.0107 192 L 4.2545 7.6463 119.9280 54.1359 42.5320 176.9420 193 K 4.3386 8.2610 121.4171 56.4045 33.9364 175.8687 194 T 5.0170 8.2627 116.4162 60.6529 70.1930 172.5661 195 E 4.7175 9.3909 129.4438 54.6674 31.9053 176.4201 196 D 5.3198 8.6307 124.7511 54.3134 42.8103 175.0277 197 F 4.7514 8.4717 118.8115 57.8690 42.8970 174.4413 198 S 4.6583 7.8228 118.5616 57.9370 62.4492 173.2839 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 54 N 8.42 4.53 0.00 2.70 2.88 0.00 0.00 6.91 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 *56 D 7.78 4.51 0.00 2.78 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 57 I 7.95 4.80 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.62 0.91 0.00 0.00 58 K 8.72 4.71 0.00 1.67 1.58 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.39 7.81 59 I 8.50 4.78 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.97 0.00 0.00 60 K 9.80 4.28 0.00 1.67 1.75 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.33 7.81 61 G 9.19 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 62 D 9.04 5.10 0.00 2.78 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 63 T 8.20 5.18 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 1.22 0.00 0.00 64 I 9.10 4.40 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.97 0.96 0.00 0.00 65 V 8.59 4.59 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 0.88 0.00 0.00 0.88 0.00 0.00 66 S 8.72 4.79 0.00 3.51 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 67 D 7.85 4.59 0.00 2.67 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 68 K 7.47 4.29 0.00 2.32 2.13 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.50 7.81 69 F 6.97 5.18 0.00 3.32 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 70 E 9.02 5.58 0.00 1.91 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 71 A 8.88 5.35 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.53 4.72 0.00 1.91 1.84 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.66 7.81 73 I 8.85 4.33 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.70 1.19 0.00 0.00 74 K 8.43 4.29 0.00 1.69 1.69 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.61 1.62 7.81 75 E 8.71 3.99 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 76 P 0.00 4.64 0.00 1.13 0.73 0.00 3.69 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 1.20 0.51 0.00 77 F 7.46 4.71 0.00 3.20 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 78 I 8.39 4.63 1.83 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.37 0.95 0.00 0.00 79 I 8.31 4.78 1.89 0.00 0.00 0.36 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 0.48 0.95 0.00 0.00 80 N 9.04 4.92 0.00 2.91 2.90 0.00 0.00 6.41 7.17 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 81 E 8.91 4.54 0.00 2.34 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 0.00 2.23 2.50 0.00 82 K 8.86 4.14 0.00 2.05 1.86 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.46 7.81 83 D 8.60 4.59 0.00 3.24 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.69 4.49 0.00 2.04 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 0.00 2.41 2.28 0.00 85 K 7.47 3.97 0.00 1.89 1.97 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.46 7.81 86 K 7.75 4.67 0.00 1.74 1.28 0.00 1.56 0.00 0.00 1.46 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.17 1.32 7.81 87 K 8.32 4.99 0.00 1.62 1.65 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.39 7.81 88 Y 8.74 5.12 0.00 2.67 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 89 I 8.88 4.62 1.85 0.00 0.00 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 0.80 0.57 1.21 0.00 0.00 90 A 8.17 4.74 -0.10 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 0.00 0.00 91 F 9.06 4.53 0.00 3.06 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 92 K 8.13 4.07 0.00 1.34 0.76 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.10 1.29 7.81 *94 E 8.54 4.56 0.00 2.07 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 0.00 2.39 2.62 0.00 95 I 8.51 4.74 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.71 0.97 0.00 0.00 96 T 8.81 5.04 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 1.35 0.00 0.00 97 A 8.78 4.55 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 K 9.12 4.55 0.00 1.71 1.84 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.42 7.81 99 K 7.95 4.60 0.00 1.78 1.72 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.36 7.81 100 D 8.29 4.91 0.00 2.61 2.59 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 0.00 101 D 8.40 4.39 0.00 2.73 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 0.00 102 K 8.84 4.11 0.00 1.81 1.88 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 103 D 8.01 4.55 0.00 2.88 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 0.00 104 L 8.39 4.43 0.00 1.87 1.64 1.06 0.75 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 0.00 105 N 8.01 5.43 0.00 2.92 2.90 0.00 0.00 6.99 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 0.00 106 P 0.00 4.39 0.00 2.51 2.40 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 107 S 8.49 4.17 0.00 4.04 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 0.00 108 S 8.05 4.48 0.00 4.01 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.49 3.74 1.94 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.56 0.00 0.00 110 S 7.54 3.80 0.00 3.45 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 0.00 111 H 7.77 4.06 0.00 3.12 3.45 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 7.57 3.97 0.00 2.29 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 8.16 4.77 0.00 2.92 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 0.00 114 I 8.03 5.06 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.75 0.00 0.00 115 N 8.78 4.95 0.00 2.66 2.64 0.00 0.00 6.58 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 7.90 4.69 1.30 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.30 0.88 0.00 0.00 117 T 8.69 5.21 4.31 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 1.18 0.00 0.00 118 Q 8.99 4.97 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.18 2.53 0.00 119 D 9.09 4.86 0.00 2.62 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.57 4.84 0.00 2.69 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 0.00 121 K 8.89 4.05 0.00 1.76 1.85 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 122 N 8.08 4.89 0.00 2.66 2.81 0.00 0.00 6.65 7.54 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 0.00 123 T 7.38 4.63 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 124 V 8.15 4.48 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 0.84 0.00 0.00 0.92 0.00 0.00 125 N 9.06 4.80 0.00 2.78 2.71 0.00 0.00 6.24 7.24 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 0.00 126 K 8.71 4.32 0.00 1.76 1.71 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.46 7.81 127 L 8.37 4.76 0.00 1.58 1.70 0.99 0.87 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 0.00 128 R 8.56 4.39 0.00 1.83 1.92 0.00 3.18 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 129 D 8.64 4.49 0.00 2.47 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 0.00 0.00 0.00 0.00 130 G 8.46 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 Y 8.01 4.63 0.00 2.88 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 0.00 132 L 8.07 4.33 0.00 1.43 1.49 0.54 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.65 4.15 0.00 1.78 1.86 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 134 S 7.78 4.99 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 0.00 135 D 8.17 4.87 0.00 3.07 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 0.00 136 K 8.65 4.10 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.45 7.81 137 K 8.41 3.77 0.00 1.83 1.96 0.00 1.81 0.00 0.00 1.99 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.58 1.23 7.81 138 Y 7.59 4.79 0.00 3.30 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 0.00 139 K 7.82 3.70 0.00 2.13 1.88 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 140 D 8.30 4.31 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.26 4.55 0.00 3.63 3.32 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 0.00 142 T 7.99 4.65 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 1.30 0.00 0.00 143 E 7.99 4.04 0.00 2.01 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 2.35 1.91 0.00 144 H 7.94 5.15 0.00 3.18 3.29 0.00 5.62 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 N 8.64 4.44 0.00 2.95 2.98 0.00 0.00 6.90 7.41 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 0.00 146 Q 8.03 4.58 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 147 D 7.88 4.86 0.00 2.67 2.59 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 0.00 148 Q 8.38 4.48 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 149 I 7.80 4.52 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.94 0.96 0.00 0.00 150 K 8.64 4.10 0.00 1.71 1.73 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.43 7.81 151 K 8.41 4.27 0.00 1.72 1.88 0.00 1.58 0.00 0.00 2.38 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.51 7.81 152 G 8.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.96 4.64 0.00 1.67 1.72 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.53 7.81 154 T 8.33 5.26 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 1.29 0.00 0.00 155 A 9.35 4.79 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 0.00 156 Q 8.46 4.51 0.00 1.33 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.64 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 157 A 8.23 5.32 1.04 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 *159 F 8.40 4.69 0.00 3.27 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 0.00 160 I 7.94 4.89 1.46 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 0.96 0.65 0.49 0.00 0.00 161 Y 8.78 5.12 0.00 2.99 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 0.00 162 E 9.16 4.63 0.00 2.06 1.91 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 2.21 2.07 0.00 163 L 8.51 4.43 0.00 1.71 1.59 1.13 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 164 R 8.48 4.16 0.00 1.86 1.87 0.00 3.03 0.00 0.00 3.37 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 165 G 9.77 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 D 7.70 3.37 0.00 2.23 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 G 7.40 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 0.00 168 N 8.63 4.92 0.00 2.79 2.93 0.00 0.00 6.67 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 0.00 169 I 8.74 5.00 2.11 0.00 0.00 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 1.36 0.75 1.22 0.00 0.00 170 N 9.27 5.54 0.00 2.59 2.70 0.00 0.00 6.51 6.28 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 0.00 171 L 9.46 4.75 0.00 1.82 1.65 0.80 0.68 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 0.00 172 N 9.34 5.51 0.00 2.71 2.68 0.00 0.00 5.95 7.76 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 0.00 173 V 8.56 5.03 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 1.01 0.00 0.00 0.95 0.00 0.00 174 H 8.70 5.35 0.00 3.41 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 K 8.77 4.40 0.00 1.88 1.96 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.49 7.81 176 Y 8.64 3.73 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 0.00 177 S 7.90 4.25 0.00 4.09 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 0.00 178 E 8.00 4.15 0.00 2.02 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 2.34 2.38 0.00 179 D 8.39 4.57 0.00 2.56 2.47 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 0.00 180 K 7.97 3.91 0.00 1.74 1.79 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.47 7.81 181 T 8.51 4.21 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 1.37 0.00 0.00 182 V 8.85 4.26 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 0.77 0.00 0.00 1.03 0.00 0.00 183 D 7.81 4.61 0.00 2.71 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 0.00 184 S 8.29 5.14 0.00 3.87 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 0.00 185 K 9.06 4.65 0.00 1.80 1.59 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.52 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.61 1.14 7.81 186 S 8.37 5.42 0.00 3.68 3.70 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 0.00 187 F 9.29 4.86 0.00 2.94 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 0.00 188 K 8.79 4.68 0.00 1.89 1.82 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.46 7.81 189 F 9.20 4.10 0.00 3.26 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 0.00 190 S 8.40 4.18 0.00 4.07 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 K 7.67 4.48 0.00 1.73 1.85 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.40 7.81 192 L 7.65 4.25 0.00 1.36 1.40 0.66 0.80 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 0.00 193 K 8.26 4.34 0.00 1.66 1.66 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.40 7.81 194 T 8.26 5.02 4.19 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 1.20 0.00 0.00 195 E 9.39 4.72 0.00 2.14 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 2.18 2.34 0.00 196 D 8.63 5.32 0.00 2.62 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 0.00 197 F 8.47 4.75 0.00 3.21 2.94 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 0.00 198 S 7.82 4.66 0.00 3.78 3.54 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 * Residues marked with a * may have inaccurate shift predictions.