NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 E 4.2056 8.4444 120.2292 54.8770 31.8220 174.7563 -5 N 4.0165 8.1893 116.4382 54.5551 37.2478 171.4836 -4 L 5.0336 7.9180 116.0569 53.0538 47.0240 176.5131 -3 Y 4.8046 8.9795 123.4392 55.6815 40.0962 174.5939 -2 F 4.9217 8.6639 131.0668 57.1607 39.6906 175.7958 -1 Q 3.5691 7.7835 129.1836 55.3845 29.7260 175.7482 0 G 3.0187 6.6220 102.5729 43.6563 0.0000 175.1769 -4 N 5.4336 8.1580 112.9569 51.0538 43.5240 174.1131 -3 I 4.4246 8.8595 123.0392 58.8815 41.0962 175.0939 -2 S 4.7717 8.6739 126.4668 57.7607 63.8906 174.5958 -1 E 3.5791 7.8835 129.5836 56.2845 30.2260 176.3482 0 I 3.2287 6.2920 113.6729 59.6563 34.8924 176.6769 7 N 4.8276 8.9157 124.0452 52.9566 39.1771 175.4139 8 G 4.0042 8.9807 111.3373 46.8221 0.0000 172.3012 9 F 4.9964 8.1122 113.6443 55.9006 41.6091 172.6645 10 E 5.0372 8.7429 118.9966 55.0211 32.0619 175.5141 11 V 4.8163 8.6504 115.5471 60.1503 36.7928 174.3799 12 T 4.9578 8.8029 119.5738 61.8892 72.2655 174.2693 13 G 3.9408 7.8710 111.3683 46.1131 0.0000 171.2871 14 F 5.2913 7.8340 119.2980 56.0193 41.0867 175.6252 15 V 5.1238 8.4802 122.0610 59.9271 33.8611 175.1641 16 V 4.5302 8.5544 121.4753 60.0627 35.2076 173.8589 17 R 4.8471 8.3953 122.1826 55.4410 31.8790 174.9910 18 T 4.4457 8.0679 119.2159 61.5952 71.5155 171.7260 19 T 4.5413 7.9540 114.1680 59.7570 70.7832 174.1834 20 N 4.5074 9.2176 123.2670 56.7553 39.2625 176.0539 21 A 4.2123 8.1543 119.7159 55.2947 18.7965 178.2377 22 D 4.5325 8.1520 115.3905 57.5779 41.0695 177.6762 23 E 3.9297 7.7144 118.1034 56.4443 29.4425 176.5862 *25 N 4.4436 8.1412 117.2559 52.8391 39.3109 173.7800 26 P 4.5899 0.0000 0.0000 62.8424 30.9219 177.5123 *28 T 4.2144 7.9719 106.8994 60.7026 70.4686 173.8036 29 A 4.4237 7.6323 124.7276 52.1573 18.9874 178.0612 30 K 4.5054 9.4809 119.9465 56.8784 33.8488 179.3970 31 I 3.9114 8.1607 120.9272 64.0688 37.0164 178.3390 32 G 3.8227 8.2252 106.1845 48.1937 0.0000 175.3263 33 N 4.4073 8.1712 118.8085 55.5631 38.5860 176.9756 34 L 3.8070 8.1025 122.0028 58.1703 42.1599 179.2752 35 W 3.8310 8.1030 118.6521 59.4097 28.8162 178.1382 36 E 4.0720 8.2228 119.4909 59.1443 29.0877 178.7816 37 K 3.7870 8.1097 119.7067 59.2881 32.0921 178.5441 38 F 4.3149 8.0950 120.9003 61.6477 39.1324 176.5780 39 Y 4.5919 8.4065 116.7703 61.1884 37.4679 178.6643 40 L 3.9667 8.1446 120.0015 58.2172 42.4290 178.0362 41 N 4.6943 8.5952 114.0904 54.0500 39.5587 176.2904 42 A 4.3197 8.0906 121.3845 53.2508 20.4179 178.3825 43 A 3.9428 7.0275 116.2388 55.0211 18.2711 178.0160 44 P 4.3298 0.0000 0.0000 64.5395 31.5030 177.7448 45 K 4.3985 7.6110 115.6012 55.3656 32.6847 176.5656 46 L 4.3338 7.2566 120.0517 54.4635 42.7295 175.7528 47 T 4.6808 8.6527 110.7197 59.6873 71.2166 174.9060 48 D 4.4716 8.5936 120.0464 56.5543 40.8537 177.5744 49 K 4.4444 7.4083 115.3418 55.9526 32.5596 176.8760 50 S 4.4118 7.7442 116.5081 58.6643 63.5124 173.5649 51 K 4.6942 9.3534 124.8213 54.8599 34.2121 175.4739 52 V 5.0740 8.3388 123.7444 61.5355 34.4263 173.8109 53 Y 5.6108 9.5932 124.0213 56.4930 43.0342 174.7168 54 G 4.9295 9.6677 109.3086 43.9940 0.0000 172.3765 55 L 5.2337 9.1423 128.0449 54.0932 43.5820 175.9045 56 Y 5.0436 9.4224 120.8324 56.8050 41.0223 174.8568 57 T 4.6994 8.7667 117.8902 61.9649 71.6896 172.0679 58 N 4.2875 8.6566 116.8515 54.4220 36.0087 175.0736 59 Y 4.4484 7.9542 114.3086 57.8317 38.9548 176.2175 60 E 4.2438 9.2810 127.4943 58.9657 31.6418 177.1856 61 S 4.6962 8.4341 111.8192 58.1829 67.8832 173.8068 62 D 3.6825 8.4926 124.4710 51.3368 41.2171 177.5785 63 F 4.4568 8.3853 112.1431 59.2272 38.1119 175.9428 64 T 4.2188 7.6698 110.9511 61.8297 69.1343 174.1784 65 G 4.6768 7.8199 109.3116 43.4818 0.0000 173.0657 66 A 4.5501 9.0539 121.8600 52.1715 19.7813 176.6308 67 F 5.1073 7.9069 112.5608 56.0011 41.8293 172.9785 68 D 5.0626 9.1293 120.7684 53.6992 42.5676 175.5992 69 V 4.6699 8.7626 122.8529 61.0801 34.4162 174.3295 70 I 4.9409 8.5725 127.8336 59.4237 40.6246 174.3523 71 A 4.2030 8.3453 130.5601 50.9282 19.4883 175.8376 72 C 5.3413 8.7131 116.4794 58.2379 33.9369 172.6327 73 S 5.8902 9.3533 112.3182 57.1983 65.2614 174.4869 74 D 4.9435 9.4465 124.0467 55.5872 39.4629 177.2609 75 T 4.2854 8.0900 107.5865 62.3841 69.7465 175.0836 76 L 4.2926 7.7566 121.9066 54.6769 42.5092 176.1377 77 S 4.6845 8.0544 113.6238 56.0751 65.9085 173.2292 78 P 4.9005 0.0000 0.0000 63.7060 30.7167 176.9296 79 Q 4.4901 7.7161 114.0721 55.6923 30.9145 174.9534 80 L 4.4301 8.1317 119.0925 54.6669 42.2650 176.1768 81 L 4.3478 7.2689 120.3222 54.5492 44.1132 174.5889 82 S 4.4260 8.5635 121.3859 59.4430 63.7391 174.2804 83 E 3.8966 8.9024 120.5601 56.7668 27.0120 174.4461 84 S 4.8390 7.3808 114.2347 57.4613 65.6709 173.4527 85 V 4.6775 8.5126 113.2523 59.4481 35.4546 174.5967 86 K 4.8697 8.6015 125.2102 55.4867 33.5997 175.6356 87 T 4.7684 9.0605 123.7364 61.4824 72.5364 172.7578 88 K 4.6283 8.5147 124.7316 55.3302 34.4923 175.7340 89 V 3.8655 7.9218 125.9914 61.6446 32.5205 175.4407 90 S 4.7079 8.5796 124.0917 58.1038 63.6703 174.4030 91 S 4.5575 8.8919 119.0823 59.1863 63.4806 174.2240 92 G 3.9335 8.1891 107.4743 46.5543 0.0000 171.2163 93 K 5.1031 7.8202 120.8810 55.5752 33.5492 175.6712 94 Y 5.2053 8.6286 123.6931 56.2346 42.3177 174.6632 95 V 4.3131 8.7039 121.9288 61.7520 33.4055 174.5339 96 T 5.0862 8.2593 124.3345 61.8164 70.7353 173.6209 97 F 5.0250 9.4184 124.7689 55.8404 42.0848 174.6299 98 S 5.1543 8.4472 115.1381 56.8879 65.6180 172.6374 99 A 4.9327 8.7053 126.1391 51.1021 23.1107 175.0115 100 T 5.0348 8.4699 115.1083 61.8061 71.9733 174.6624 101 G 3.9885 8.1396 112.3472 46.2657 0.0000 171.9852 102 E 4.1317 7.8813 119.6152 55.6318 30.6705 175.8922 *104 P 4.3395 0.0000 0.0000 62.7949 33.2540 177.4516 105 Q 3.9749 8.3479 121.5463 59.9809 28.5731 179.2009 106 V 3.6453 8.3730 120.4343 64.7914 31.5086 178.7691 107 V 3.6261 7.7918 119.4131 64.4144 31.2465 178.3210 108 I 3.9016 7.6249 119.5949 64.5275 37.1823 177.9191 109 D 4.5007 8.4136 119.6766 56.9411 40.6081 178.5742 110 L 3.7411 8.2126 121.4642 57.7771 41.9233 179.0254 111 W 4.0734 8.1481 118.7403 59.6703 28.8803 178.1740 112 N 4.4611 8.0747 116.6836 56.3383 37.9512 177.2283 113 E 3.8394 7.8477 119.5432 59.1533 29.5155 179.2650 114 V 2.7603 7.2728 118.1858 65.5325 31.5043 177.8297 115 W 4.1342 8.5288 118.8243 60.1710 28.7557 178.2470 116 N 4.4349 8.3121 114.7165 56.4114 38.0252 176.6363 117 Y 4.1996 8.0020 119.9335 60.8949 39.1001 177.8140 118 F 4.0960 8.2265 116.4846 58.9075 40.3887 176.8022 119 A 4.3361 7.8393 122.6916 49.8772 16.0600 176.9130 *123 C 3.8961 7.2265 123.3367 57.9175 33.0010 172.7077 124 P 4.2845 0.0000 0.0000 64.8465 31.2168 175.9266 125 H 5.1251 7.3873 112.9874 53.6794 32.5300 172.5783 126 K 4.8659 8.3499 120.1553 54.5090 35.2296 175.9393 127 R 4.1080 8.4518 122.8190 56.2735 30.0440 176.6361 128 A 4.0700 8.6327 124.7218 51.6388 19.6070 177.0257 129 Y 3.0483 6.9082 112.0464 59.2385 35.6159 170.5977 130 T 4.3298 7.4560 107.7370 61.9921 70.4934 174.0999 131 T 5.1316 8.2577 115.4203 61.4146 72.7217 173.5727 132 D 5.6143 9.6997 126.6755 52.9664 44.6007 175.2798 133 F 5.9051 8.6589 114.1485 56.0204 41.4058 173.1668 134 E 4.7879 10.0707 122.0344 56.1343 31.1942 174.7987 135 Y 4.8949 9.2831 125.4183 56.1537 41.4009 174.6135 136 Y 4.3040 8.5334 127.0656 56.2570 35.6194 175.2710 137 K 2.9160 7.3851 123.7637 58.4248 32.7499 176.1250 138 S 4.5079 7.7881 111.0083 56.6582 66.0088 174.1659 139 A 3.8308 8.6322 122.2386 54.9228 18.1320 177.7719 140 N 5.1532 7.9275 109.9566 52.9497 41.4773 174.3218 141 T 5.1643 7.9074 116.7568 61.4873 71.5170 173.6323 142 V 4.6052 8.5154 125.1447 59.8085 34.8921 174.3126 143 E 5.0985 8.7500 122.1669 54.6715 32.9415 174.8763 144 I 4.6077 8.5201 123.5480 59.5655 40.3744 174.5621 145 S 4.9913 8.6019 123.9089 56.7552 65.1105 173.1067 146 I 4.8759 8.7974 126.5886 59.1642 39.2807 175.2002 147 A 3.8592 9.3523 130.3573 51.9518 19.1178 176.6557 148 V 4.7893 7.9331 115.4329 59.1975 35.4348 176.2383 149 R 4.1586 8.6606 121.4262 56.5877 29.5894 176.5919 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 -6 E 8.44 4.21 0.00 1.98 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 0.00 2.21 2.30 0.00 -5 N 8.19 4.02 0.00 2.89 2.85 0.00 0.00 6.83 6.89 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 -4 L 7.92 5.03 0.00 1.57 1.57 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.98 4.80 0.00 2.98 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 -2 F 8.66 4.92 0.00 3.03 2.89 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 0.00 0.00 0.00 -1 Q 7.78 3.57 0.00 1.47 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.89 0.00 0.00 0.00 0.00 0.00 2.15 2.00 0.00 0 G 6.62 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 N 8.16 5.43 0.00 2.78 2.70 0.00 0.00 7.08 7.49 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 -3 I 8.86 4.42 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 1.09 2.39 0.91 0.00 0.00 -2 S 8.67 4.77 0.00 3.78 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 -1 E 7.88 3.58 0.00 1.41 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 2.10 1.95 0.00 0 I 6.29 3.23 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 1.30 0.39 0.91 0.00 0.00 7 N 8.92 4.83 0.00 2.65 2.80 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 8 G 8.98 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 0.00 0.00 0.00 9 F 8.11 5.00 0.00 2.93 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 10 E 8.74 5.04 0.00 1.93 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 2.24 2.29 0.00 11 V 8.65 4.82 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 0.73 0.00 0.00 0.84 0.00 0.00 12 T 8.80 4.96 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 1.08 0.00 0.00 13 G 7.87 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 14 F 7.83 5.29 0.00 2.92 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 15 V 8.48 5.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.92 0.00 0.00 16 V 8.55 4.53 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 0.82 0.00 0.00 0.87 0.00 0.00 17 R 8.40 4.85 0.00 1.84 1.77 0.00 3.32 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.65 0.00 18 T 8.07 4.45 4.11 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 0.93 0.00 0.00 19 T 7.95 4.54 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 20 N 9.22 4.51 0.00 3.12 3.12 0.00 0.00 6.97 7.96 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 21 A 8.15 4.21 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.15 4.53 0.00 2.85 2.71 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 0.00 0.00 0.00 0.00 23 E 7.71 3.93 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 *25 N 8.14 4.44 0.00 2.75 2.77 0.00 0.00 7.06 7.71 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 26 P 0.00 4.59 0.00 2.09 2.09 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 *28 T 7.97 4.21 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 A 7.63 4.42 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.48 4.51 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.51 7.81 31 I 8.16 3.91 2.12 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 1.59 1.20 1.28 0.00 0.00 32 G 8.23 3.82 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 0.00 0.00 0.00 33 N 8.17 4.41 0.00 2.87 2.86 0.00 0.00 6.69 6.74 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 34 L 8.10 3.81 0.00 1.74 1.74 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.10 3.83 0.00 3.33 2.66 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 36 E 8.22 4.07 0.00 2.31 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 2.39 2.48 0.00 37 K 8.11 3.79 0.00 1.66 1.66 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.83 1.07 7.81 38 F 8.10 4.31 0.00 3.07 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 39 Y 8.41 4.59 0.00 3.25 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 3.97 0.00 1.72 1.92 0.95 0.93 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 41 N 8.60 4.69 0.00 2.94 3.03 0.00 0.00 6.94 7.38 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 42 A 8.09 4.32 0.49 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 0.00 0.00 43 A 7.03 3.94 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 44 P 0.00 4.33 0.00 2.03 2.14 0.00 3.57 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 45 K 7.61 4.40 0.00 1.83 1.81 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.44 7.81 46 L 7.26 4.33 0.00 1.77 1.68 1.18 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.65 4.68 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 48 D 8.59 4.47 0.00 2.71 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 49 K 7.41 4.44 0.00 1.81 1.86 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.41 7.81 50 S 7.74 4.41 0.00 4.09 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 51 K 9.35 4.69 0.00 1.88 1.50 0.00 1.49 0.00 0.00 1.25 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.40 7.81 52 V 8.34 5.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.18 0.00 0.00 53 Y 9.59 5.61 0.00 3.08 3.11 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 54 G 9.67 4.93 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 0.00 0.00 0.00 55 L 9.14 5.23 0.00 1.67 1.63 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.42 5.04 0.00 2.98 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 57 T 8.77 4.70 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 1.20 0.00 0.00 58 N 8.66 4.29 0.00 2.93 2.83 0.00 0.00 6.85 7.46 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 59 Y 7.95 4.45 0.00 3.05 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 60 E 9.28 4.24 0.00 1.94 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 0.00 2.32 2.26 0.00 61 S 8.43 4.70 0.00 3.83 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.49 3.68 0.00 2.17 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 0.00 0.00 0.00 0.00 63 F 8.39 4.46 0.00 3.00 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 64 T 7.67 4.22 4.10 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 0.43 0.00 0.00 65 G 7.82 4.68 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 66 A 9.05 4.55 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.91 5.11 0.00 2.77 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 68 D 9.13 5.06 0.00 2.68 2.58 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 69 V 8.76 4.67 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 0.66 0.00 0.00 1.11 0.00 0.00 70 I 8.57 4.94 1.83 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 1.10 0.57 0.89 0.00 0.00 71 A 8.35 4.20 -0.55 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 72 C 8.71 5.34 0.00 3.18 3.01 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 73 S 9.35 5.89 0.00 4.26 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 74 D 9.45 4.94 0.00 2.81 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 75 T 8.09 4.29 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 1.26 0.00 0.00 76 L 7.76 4.29 0.00 1.79 1.58 0.90 0.72 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 77 S 8.05 4.68 0.00 3.92 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 78 P 0.00 4.90 0.00 2.04 2.10 0.00 3.66 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 79 Q 7.72 4.49 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 80 L 8.13 4.43 0.00 1.53 1.75 0.92 0.76 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 81 L 7.27 4.35 0.00 1.62 1.35 0.97 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.56 4.43 0.00 4.06 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 83 E 8.90 3.90 0.00 2.36 2.32 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 2.21 2.31 0.00 84 S 7.38 4.84 0.00 3.67 3.69 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 0.00 0.00 0.00 0.00 85 V 8.51 4.68 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.96 0.00 0.00 86 K 8.60 4.87 0.00 1.73 1.67 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.43 7.81 87 T 9.06 4.77 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 1.14 0.00 0.00 88 K 8.51 4.63 0.00 1.64 1.73 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.34 7.81 89 V 7.92 3.87 0.67 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 0.62 0.00 0.00 0.23 0.00 0.00 90 S 8.58 4.71 0.00 3.82 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 91 S 8.89 4.56 0.00 3.80 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 92 G 8.19 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 0.00 0.00 0.00 93 K 7.82 5.10 0.00 1.83 1.61 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.52 7.81 94 Y 8.63 5.21 0.00 2.81 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 95 V 8.70 4.31 2.27 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 0.43 0.00 0.00 0.88 0.00 0.00 96 T 8.26 5.09 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 97 F 9.42 5.02 0.00 2.75 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 98 S 8.45 5.15 0.00 3.75 3.55 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 99 A 8.71 4.93 1.25 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 0.00 100 T 8.47 5.03 4.49 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 1.34 0.00 0.00 101 G 8.14 3.99 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 0.00 0.00 0.00 102 E 7.88 4.13 0.00 2.06 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 2.40 2.31 0.00 *104 P 0.00 4.34 0.00 2.29 2.33 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 105 Q 8.35 3.97 0.00 2.15 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 106 V 8.37 3.65 2.10 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 0.90 0.00 0.00 0.97 0.00 0.00 107 V 7.79 3.63 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 1.08 0.00 0.00 1.08 0.00 0.00 108 I 7.62 3.90 2.06 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 1.63 0.77 0.97 0.00 0.00 109 D 8.41 4.50 0.00 2.75 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 0.00 110 L 8.21 3.74 0.00 1.77 1.59 0.81 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.15 4.07 0.00 3.72 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 0.00 112 N 8.07 4.46 0.00 2.87 2.84 0.00 0.00 6.93 8.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 7.85 3.84 0.00 1.69 1.67 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 2.12 1.47 0.00 114 V 7.27 2.76 2.10 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 0.91 0.00 0.00 -0.23 0.00 0.00 115 W 8.53 4.13 0.00 3.58 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 0.00 116 N 8.31 4.43 0.00 2.90 2.96 0.00 0.00 7.08 7.00 0.00 0.00 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 Y 8.00 4.20 0.00 3.17 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.23 4.10 0.00 3.00 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 0.00 119 A 7.84 4.34 1.41 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 0.00 0.00 *123 C 7.23 3.90 0.00 2.70 2.71 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 0.00 0.00 0.00 0.00 124 P 0.00 4.28 0.00 1.84 1.96 0.00 3.27 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 125 H 7.39 5.13 0.00 3.35 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.35 4.87 0.00 1.67 1.70 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.40 7.81 127 R 8.45 4.11 0.00 0.77 0.66 0.00 2.21 0.00 0.00 2.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 128 A 8.63 4.07 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 0.00 129 Y 6.91 3.05 0.00 2.95 2.58 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 0.00 130 T 7.46 4.33 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 1.28 0.00 0.00 131 T 8.26 5.13 4.40 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 132 D 9.70 5.61 0.00 2.92 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 0.00 133 F 8.66 5.91 0.00 3.46 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 0.00 134 E 10.07 4.79 0.00 2.28 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 0.00 2.49 2.78 0.00 135 Y 9.28 4.89 0.00 3.31 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 0.00 136 Y 8.53 4.30 0.00 2.92 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 0.00 137 K 7.39 2.92 0.00 0.96 1.63 0.00 1.89 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.31 7.81 138 S 7.79 4.51 0.00 3.98 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 0.00 139 A 8.63 3.83 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 7.93 5.15 0.00 2.67 2.90 0.00 0.00 6.68 6.93 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 0.00 141 T 7.91 5.16 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 1.18 0.00 0.00 142 V 8.52 4.61 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 0.63 0.00 0.00 0.44 0.00 0.00 143 E 8.75 5.10 0.00 2.00 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 2.19 2.19 0.00 144 I 8.52 4.61 1.38 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.26 -0.09 0.00 0.00 145 S 8.60 4.99 0.00 2.72 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 0.00 146 I 8.80 4.88 2.10 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 1.20 1.03 0.55 0.00 0.00 147 A 9.35 3.86 1.06 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 0.00 0.00 148 V 7.93 4.79 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 0.98 0.00 0.00 0.85 0.00 0.00 149 R 8.66 4.16 0.00 1.69 1.84 0.00 3.20 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 * Residues marked with a * may have inaccurate shift predictions.