NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0472 8.1633 120.6995 55.3356 32.8905 173.7252 2 R 5.5055 9.3750 124.4656 50.8804 33.1340 170.5034 3 V 4.4484 8.3038 121.7562 59.8719 35.7506 174.0911 4 V 4.8056 8.7305 122.8982 61.5171 33.9271 174.0565 5 I 4.8822 9.5308 130.5523 59.9602 39.4741 174.7585 6 Q 5.0966 8.7440 125.5599 53.8377 31.7595 174.8681 7 R 4.2908 9.0966 125.9708 56.3825 31.2864 175.7145 8 V 5.0114 8.7864 118.8858 59.7889 35.6029 176.3971 9 K 4.2239 9.0676 121.4492 57.4374 33.2319 177.4818 10 G 4.1825 7.4702 104.4875 45.0123 0.0000 172.3478 11 A 5.9181 8.7542 124.0903 49.3189 22.9432 174.9845 12 I 4.8133 8.3459 122.5462 59.3274 40.5294 174.1003 13 L 4.9666 9.1069 129.5766 53.5540 44.3815 175.3466 14 S 5.1770 8.3357 120.2329 57.5459 68.1577 174.8487 15 V 5.1630 8.7783 109.7737 61.1254 35.3574 174.5595 *27 L 4.4998 7.8390 122.5880 54.9526 42.8897 175.4617 28 E 4.7776 8.6515 126.1417 54.3285 33.2793 174.4288 29 I 4.5809 8.4969 127.4415 61.2325 37.7444 175.6485 30 I 4.6281 8.6034 119.1066 60.0464 38.9586 175.5449 31 S 4.6800 7.5990 114.9159 58.1166 65.3997 175.3786 32 E 5.6584 9.1126 123.2825 54.7659 32.2496 174.0007 33 I 5.1956 8.5302 122.3472 57.9873 40.7696 177.1066 34 K 4.8144 8.6968 126.2098 53.7228 30.4386 179.9710 35 N 4.5396 8.8551 117.4701 53.7756 38.9825 174.8664 36 G 4.3681 7.1148 108.9052 46.0616 0.0000 169.9913 37 L 5.2258 7.8053 119.9473 52.9852 44.8777 175.5123 38 I 4.5633 8.4464 123.9868 59.6264 40.0582 173.8763 39 C 5.1678 8.8283 127.3347 57.9795 31.1950 173.2060 40 F 4.9878 8.7833 123.8939 56.5348 39.8281 174.6169 41 L 5.0516 9.8895 128.3577 53.4090 44.1698 175.3810 42 G 4.2237 10.3540 116.9750 45.1894 0.0000 172.9860 43 I 4.7690 8.5791 127.2431 60.0586 37.2218 171.6493 44 H 4.2656 9.7960 129.2315 54.5781 31.9583 175.9618 45 K 4.4365 7.9854 128.2911 57.8249 31.6860 174.5663 46 N 4.8677 7.5992 114.3184 52.8703 38.5375 175.0603 47 D 4.5815 8.7843 120.8336 54.8380 40.8830 176.0898 48 T 4.7687 8.2223 116.7111 60.2432 69.3501 175.0761 49 W 4.4974 8.9073 135.0000 60.0416 30.3527 178.5192 50 E 3.9411 8.5777 118.9909 61.5539 29.2546 183.8377 51 D 4.6778 7.7844 119.1102 57.3138 40.9581 179.2017 52 A 3.9050 7.8878 120.1387 55.3274 18.4611 179.4317 53 L 3.7359 6.7648 117.2844 57.7639 41.5223 179.4830 54 Y 3.8695 7.3941 118.2455 60.6675 38.7560 177.2154 55 I 3.6084 7.6684 120.5261 64.6974 37.3758 178.2051 56 I 3.4144 8.2323 122.9997 65.0647 36.4946 179.4425 57 R 3.7942 7.7870 121.1741 61.3113 29.2418 181.1339 58 K 3.9917 8.2193 119.7470 59.6133 31.8482 178.9478 59 C 3.8351 8.1057 115.7498 63.4483 27.9043 176.4656 60 L 4.3042 8.2225 118.9268 56.4982 41.1362 178.1018 61 N 4.9640 7.6502 113.2886 52.4121 41.1341 174.9018 62 L 3.9807 8.2586 120.2909 54.9749 42.0405 176.8444 63 R 4.5321 8.5902 123.0273 55.6856 28.8463 176.1224 64 L 4.9299 8.6117 121.6624 54.3101 43.9269 176.3163 65 W 4.7603 8.7915 122.7382 55.2813 30.8850 176.6869 66 N 4.7247 8.8633 123.5233 53.2509 38.1740 171.4432 67 N 4.7872 9.9656 116.3369 52.9646 41.8120 175.8910 68 D 4.3270 9.2561 129.3785 55.5444 39.7293 175.1512 69 N 4.3645 9.5907 124.8090 57.5163 39.9990 174.9759 70 K 3.9840 7.9018 119.8125 54.9017 32.1958 178.9282 71 T 4.1838 8.2002 114.0141 59.5981 70.8475 174.3550 72 W 4.2293 7.0666 118.3221 57.2500 26.3520 174.4323 73 D 4.9506 8.2021 120.8422 55.1550 43.4730 177.6699 74 K 5.1192 8.5534 121.1115 53.2689 35.8318 178.7959 75 N 6.0774 9.1310 121.2195 50.1328 39.9825 176.3851 76 V 3.2534 8.8906 117.8330 64.8111 31.6934 178.5830 77 K 3.2934 7.5913 116.7686 59.4620 32.0612 178.8043 78 D 4.4530 7.9367 117.2469 57.4906 40.5927 178.2928 79 L 3.8742 6.7561 113.7954 53.5554 41.3906 176.1034 80 N 4.8296 8.2065 116.4162 53.8672 37.7858 173.7220 81 Y 4.8816 7.4959 112.5174 57.1942 39.7267 175.5512 82 E 4.6361 8.7353 121.3442 55.8389 32.0385 175.3363 83 L 5.2308 9.1345 119.5265 53.0120 46.2177 175.8721 84 L 4.9815 8.8178 124.4239 53.4495 44.1344 175.0096 85 I 4.7112 8.3999 127.6854 60.0216 39.2880 175.2908 86 V 4.5255 8.8767 126.1875 60.8855 34.5954 174.3480 87 S 4.7039 8.5309 123.6200 58.9003 62.8310 173.6965 88 Q 4.4877 9.9125 129.4527 54.6022 30.4141 174.8843 89 F 4.7341 8.7805 120.5892 57.9260 39.0373 178.0412 90 T 4.2114 7.2417 111.7046 63.6073 68.7034 176.3358 91 L 3.8641 7.4075 122.1058 56.9832 41.6323 177.5494 92 F 4.9977 7.9959 116.0367 56.9808 39.7957 176.2419 93 G 2.9490 8.2083 107.7668 46.3276 0.0000 172.9244 94 N 5.0362 8.7721 124.6012 52.2893 40.3683 175.3558 95 T 4.4233 8.3852 114.3592 61.5770 70.4269 176.0258 96 K 4.1042 8.1533 123.4473 59.0710 33.2111 178.0809 97 K 4.6648 7.0403 125.2179 53.9681 30.0120 184.6310 98 G 3.9540 8.4810 109.9915 46.7241 0.0000 172.1936 99 N 4.8250 8.2757 115.4698 52.4505 38.4529 175.7870 100 K 4.5778 8.0827 118.2351 54.2386 35.8416 173.5985 101 P 4.8749 0.0000 0.0000 61.2764 32.7935 174.6779 102 D 4.7841 7.9125 117.4316 52.7861 43.7890 175.7322 103 F 5.1477 8.9036 127.1076 58.2705 39.7930 178.1566 *104 H 4.1214 8.4445 119.4097 58.0365 27.7514 179.4484 105 L 4.1804 7.9671 117.5464 55.1257 41.9250 176.5955 106 A 4.3510 7.9493 122.1380 51.4538 18.9799 177.5721 107 K 3.8877 8.2308 126.3094 56.9682 32.9682 177.0458 108 E 3.9247 9.0329 124.7995 56.9826 30.3789 172.7102 109 P 4.3063 0.0000 0.0000 66.1945 31.0795 178.9483 110 N 4.2212 8.3465 119.6604 58.7104 37.3281 178.9331 111 E 4.1746 8.1106 118.6899 59.4490 29.6893 180.7944 112 A 4.3094 7.8100 119.4982 55.8527 18.5027 179.0501 113 L 3.6211 7.8339 119.2708 58.5113 41.9449 179.4784 114 I 3.7411 7.3457 118.9762 64.2577 37.2069 178.0264 115 F 4.0199 8.5504 121.6957 62.1989 39.3628 175.7239 116 Y 4.4239 9.9693 119.2179 61.1884 38.2340 178.1815 117 N 4.1625 9.5012 119.1933 57.0486 38.9225 177.9056 118 K 4.0302 8.1762 124.9677 59.7489 31.7574 180.9118 119 I 3.9358 7.8702 120.5252 64.5743 37.1320 178.2832 120 I 3.9513 7.7496 122.5936 65.3403 36.9207 178.9478 121 D 4.4498 7.9654 121.7645 58.2422 39.6649 180.0020 122 E 4.4050 8.4059 120.1435 59.9929 29.7188 177.9335 123 F 4.4033 9.0124 121.4829 59.4803 38.3138 178.1551 124 K 4.2227 9.0511 126.2590 61.1131 31.6721 181.2325 125 K 4.2317 8.5088 124.0830 59.9168 31.7688 181.5925 126 Q 4.4147 8.4494 119.8206 58.7872 29.0243 175.6015 127 Y 4.8587 8.0327 117.7692 56.0345 42.1754 173.7673 128 N 4.5143 8.0224 114.8150 53.5781 43.2020 176.3386 129 D 4.4630 9.0424 124.6745 56.1151 40.0299 174.5799 130 D 4.6194 7.7470 116.7505 56.3158 41.6408 178.1922 131 K 3.8688 7.6323 118.1520 58.3181 32.1458 176.3480 132 I 4.4670 7.3837 119.6139 59.8462 38.2184 175.3410 133 K 4.8406 8.6722 126.0060 54.6654 36.4347 174.5543 134 I 4.9179 7.4659 113.5002 60.0795 40.5792 174.5291 135 G 4.1316 7.9467 111.9211 45.6570 0.0000 174.2777 136 K 4.5349 8.4583 125.4657 53.9897 34.0622 176.3473 137 F 3.4936 8.9090 128.8270 59.8107 39.4629 176.7917 138 G 4.1244 8.3394 115.1502 46.2864 0.0000 173.6423 139 N 4.6068 7.8591 116.5074 52.7590 39.2461 174.2765 140 Y 4.0985 8.5733 121.8274 58.1004 39.4462 174.7745 141 M 5.4786 7.5708 125.2027 52.8097 35.5409 175.2739 142 N 4.7788 8.3813 118.4272 51.8002 40.0843 171.1572 143 I 4.7024 7.9687 122.9629 59.6949 39.1741 174.3759 144 D 4.8236 9.4808 128.2070 52.8594 42.4982 175.4916 145 V 4.6271 8.4076 123.8500 61.3507 33.7138 176.4863 146 T 4.4158 8.8327 127.2231 61.4083 67.0722 172.3449 147 N 4.4861 8.2004 118.7864 54.1989 39.4550 175.5414 148 D 4.1908 8.4423 126.2317 51.2252 38.9052 175.6489 149 G 4.0340 7.8655 117.8917 45.3203 0.0000 168.9655 150 P 4.4277 0.0000 0.0000 61.4405 33.2503 176.1760 151 V 4.3651 8.1736 119.8889 61.7370 33.4532 174.3789 152 T 5.1641 8.5862 124.5507 61.9463 71.1221 173.4123 153 I 4.5458 9.0337 128.0290 59.4707 40.0607 174.1030 154 Y 5.2724 8.6444 127.4099 55.8902 41.4311 174.6720 155 I 4.2794 7.5131 125.5601 59.7196 42.0648 173.7616 156 D 4.9462 8.2690 125.4414 51.9230 41.6706 174.5521 157 T 3.8309 8.6779 116.6560 64.2686 69.9235 176.3366 158 H 4.7865 8.1084 119.7564 55.5111 27.9108 175.0751 159 D 4.3839 8.7228 125.9180 54.6294 41.6590 175.7346 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 8.16 5.05 0.00 1.73 2.05 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.38 5.51 0.00 1.42 1.78 0.00 2.32 0.00 0.00 3.19 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 3 V 8.30 4.45 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 0.71 0.00 0.00 1.05 0.00 0.00 4 V 8.73 4.81 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 1.04 0.00 0.00 1.11 0.00 0.00 5 I 9.53 4.88 1.89 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 1.27 0.54 0.91 0.00 0.00 6 Q 8.74 5.10 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 7 R 9.10 4.29 0.00 1.61 1.64 0.00 2.21 0.00 0.00 2.65 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.70 0.00 8 V 8.79 5.01 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 0.90 0.00 0.00 1.01 0.00 0.00 9 K 9.07 4.22 0.00 1.57 1.84 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.41 1.52 7.81 10 G 7.47 4.18 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 0.00 0.00 0.00 11 A 8.75 5.92 1.15 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 0.00 0.00 12 I 8.35 4.81 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 1.22 1.03 0.91 0.00 0.00 13 L 9.11 4.97 0.00 1.62 1.55 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.34 5.18 0.00 3.61 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 15 V 8.78 5.16 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 1.31 0.00 0.00 1.04 0.00 0.00 *27 L 7.84 4.50 0.00 1.71 1.65 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.65 4.78 0.00 2.01 1.73 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 2.20 2.27 0.00 29 I 8.50 4.58 1.88 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 1.41 0.66 0.94 0.00 0.00 30 I 8.60 4.63 1.89 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 1.29 0.68 0.97 0.00 0.00 31 S 7.60 4.68 0.00 3.86 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 32 E 9.11 5.66 0.00 1.93 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 2.26 0.00 33 I 8.53 5.20 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.94 0.00 0.00 34 K 8.70 4.81 0.00 1.72 1.09 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.27 7.81 35 N 8.86 4.54 0.00 1.73 1.46 0.00 0.00 6.63 7.62 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 36 G 7.11 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 0.00 0.00 0.00 0.00 37 L 7.81 5.23 0.00 1.69 1.59 1.07 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.45 4.56 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 1.21 0.89 0.00 0.00 39 C 8.83 5.17 0.00 2.80 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 40 F 8.78 4.99 0.00 2.95 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 41 L 9.89 5.05 0.00 1.78 1.74 1.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 G 10.35 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 0.00 0.00 0.00 0.00 43 I 8.58 4.77 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 1.23 0.70 0.91 0.00 0.00 44 H 9.80 4.27 0.00 2.20 3.31 0.00 5.59 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.99 4.44 0.00 1.85 1.69 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.35 7.81 46 N 7.60 4.87 0.00 2.87 2.90 0.00 0.00 6.92 8.06 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 47 D 8.78 4.58 0.00 2.23 2.24 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 48 T 8.22 4.77 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 1.35 0.00 0.00 49 W 8.91 4.50 0.00 3.34 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 50 E 8.58 3.94 0.00 2.00 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 2.25 2.23 0.00 51 D 7.78 4.68 0.00 3.04 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 52 A 7.89 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 6.76 3.74 0.00 1.52 1.55 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.39 3.87 0.00 3.06 3.14 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 0.00 55 I 7.67 3.61 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.85 1.00 0.00 0.00 56 I 8.23 3.41 1.41 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.79 0.00 0.00 0.00 57 R 7.79 3.79 0.00 1.82 1.93 0.00 3.28 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 58 K 8.22 3.99 0.00 1.51 1.72 0.00 1.55 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.67 1.29 7.81 59 C 8.11 3.84 0.00 3.22 3.24 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 60 L 8.22 4.30 0.00 1.90 1.68 1.17 0.63 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 61 N 7.65 4.96 0.00 2.78 2.77 0.00 0.00 6.98 7.52 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 62 L 8.26 3.98 0.00 1.78 1.62 0.87 0.67 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 63 R 8.59 4.53 0.00 2.05 2.02 0.00 3.13 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 64 L 8.61 4.93 0.00 0.96 1.37 0.80 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.79 4.76 0.00 3.52 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 66 N 8.86 4.72 0.00 2.50 2.62 0.00 0.00 6.54 7.99 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 67 N 9.97 4.79 0.00 2.65 2.81 0.00 0.00 7.20 8.35 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 68 D 9.26 4.33 0.00 2.85 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 69 N 9.59 4.36 0.00 2.67 2.82 0.00 0.00 6.76 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.90 3.98 0.00 1.72 1.69 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.45 1.01 7.81 71 T 8.20 4.18 3.14 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 0.95 0.00 0.00 72 W 7.07 4.23 0.00 3.38 3.41 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 0.00 73 D 8.20 4.95 0.00 2.82 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 74 K 8.55 5.12 0.00 1.45 1.60 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.21 7.81 75 N 9.13 6.08 0.00 2.97 3.18 0.00 0.00 6.61 7.69 0.00 0.00 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 V 8.89 3.25 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.21 0.00 0.00 77 K 7.59 3.29 0.00 1.76 1.50 0.00 1.37 0.00 0.00 1.37 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 1.09 7.81 78 D 7.94 4.45 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 6.76 3.87 0.00 0.27 0.13 0.09 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.21 4.83 0.00 2.61 2.79 0.00 0.00 7.17 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.50 4.88 0.00 2.75 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 82 E 8.74 4.64 0.00 1.97 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 2.27 2.32 0.00 83 L 9.13 5.23 0.00 1.33 1.30 1.10 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.82 4.98 0.00 1.64 1.38 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.40 4.71 1.92 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.85 1.13 0.00 0.00 86 V 8.88 4.53 1.72 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 0.95 0.00 0.00 0.74 0.00 0.00 87 S 8.53 4.70 0.00 3.21 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 88 Q 9.91 4.49 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 89 F 8.78 4.73 0.00 3.44 3.31 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 90 T 7.24 4.21 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 0.38 0.00 0.00 91 L 7.41 3.86 0.00 1.47 1.38 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 92 F 8.00 5.00 0.00 3.32 3.13 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 93 G 8.21 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 0.00 0.00 0.00 94 N 8.77 5.04 0.00 2.79 2.60 0.00 0.00 6.45 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 95 T 8.39 4.42 4.18 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 1.12 0.00 0.00 96 K 8.15 4.10 0.00 1.75 1.90 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.42 1.41 7.81 97 K 7.04 4.66 0.00 1.74 1.04 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.25 7.81 98 G 8.48 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 99 N 8.28 4.83 0.00 2.72 2.82 0.00 0.00 6.59 7.61 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 0.00 100 K 8.08 4.58 0.00 1.65 1.61 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.41 7.81 101 P 0.00 4.87 0.00 1.70 1.80 0.00 3.17 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 102 D 7.91 4.78 0.00 2.69 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 0.00 103 F 8.90 5.15 0.00 3.33 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *104 H 8.44 4.12 0.00 2.96 3.02 0.00 7.20 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.97 4.18 0.00 1.73 1.61 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.95 4.35 1.55 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 0.00 0.00 107 K 8.23 3.89 0.00 1.63 1.72 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.54 1.38 7.81 108 E 9.03 3.92 0.00 1.69 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 2.33 1.96 0.00 109 P 0.00 4.31 0.00 2.10 2.16 0.00 3.57 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 2.07 2.10 0.00 110 N 8.35 4.22 0.00 2.72 2.86 0.00 0.00 6.93 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 0.00 111 E 8.11 4.17 0.00 1.97 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 2.30 1.94 0.00 112 A 7.81 4.31 1.64 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 0.00 0.00 113 L 7.83 3.62 0.00 0.47 1.58 0.80 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.35 3.74 2.09 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 1.41 0.97 0.92 0.00 0.00 115 F 8.55 4.02 0.00 3.41 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 9.97 4.42 0.00 3.52 3.49 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 0.00 117 N 9.50 4.16 0.00 3.17 2.92 0.00 0.00 7.30 8.10 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 0.00 118 K 8.18 4.03 0.00 1.79 1.80 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 119 I 7.87 3.94 2.14 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.96 0.00 0.00 120 I 7.75 3.95 1.91 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.24 0.90 0.00 0.00 121 D 7.97 4.45 0.00 2.67 2.67 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 0.00 0.00 0.00 0.00 122 E 8.41 4.41 0.00 2.46 2.28 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 2.35 2.29 0.00 123 F 9.01 4.40 0.00 3.28 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 0.00 124 K 9.05 4.22 0.00 1.76 1.84 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.38 7.81 125 K 8.51 4.23 0.00 1.80 1.71 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.35 7.81 126 Q 8.45 4.41 0.00 2.12 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 127 Y 8.03 4.86 0.00 3.07 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 0.00 128 N 8.02 4.51 0.00 2.57 1.99 0.00 0.00 7.50 8.37 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 0.00 129 D 9.04 4.46 0.00 2.73 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 0.00 130 D 7.75 4.62 0.00 2.51 2.68 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 0.00 131 K 7.63 3.87 0.00 0.79 1.27 0.00 1.53 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.84 0.63 7.81 132 I 7.38 4.47 1.84 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 1.43 0.92 0.73 0.00 0.00 133 K 8.67 4.84 0.00 1.75 1.65 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.29 7.81 134 I 7.47 4.92 2.09 0.00 0.00 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 1.29 1.16 0.98 0.00 0.00 135 G 7.95 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 0.00 0.00 0.00 136 K 8.46 4.53 0.00 1.71 1.71 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 137 F 8.91 3.49 0.00 3.17 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 0.00 138 G 8.34 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 0.00 139 N 7.86 4.61 0.00 2.91 2.83 0.00 0.00 6.91 7.03 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 0.00 140 Y 8.57 4.10 0.00 3.07 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 0.00 141 M 7.57 5.48 0.00 1.78 1.75 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.28 0.00 142 N 8.38 4.78 0.00 2.88 2.67 0.00 0.00 6.85 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.97 4.70 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 0.95 0.00 0.00 144 D 9.48 4.82 0.00 2.66 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 0.00 145 V 8.41 4.63 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 0.86 0.00 0.00 1.04 0.00 0.00 146 T 8.83 4.42 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 1.21 0.00 0.00 147 N 8.20 4.49 0.00 2.58 2.81 0.00 0.00 7.09 8.06 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 0.00 148 D 8.44 4.19 0.00 2.68 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 0.00 149 G 7.87 4.03 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 0.00 0.00 0.00 150 P 0.00 4.43 0.00 2.18 2.06 0.00 3.49 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 1.98 2.06 0.00 151 V 8.17 4.37 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 1.07 0.00 0.00 0.98 0.00 0.00 152 T 8.59 5.16 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 1.23 0.00 0.00 153 I 9.03 4.55 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.19 0.89 0.00 0.00 154 Y 8.64 5.27 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.51 4.28 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.39 0.93 0.00 0.00 156 D 8.27 4.95 0.00 2.55 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 0.00 157 T 8.68 3.83 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 1.40 0.00 0.00 158 H 8.11 4.79 0.00 3.35 3.33 0.00 5.60 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.72 4.38 0.00 2.52 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 * Residues marked with a * may have inaccurate shift predictions.