NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3890 8.3049 120.3271 55.3221 33.1201 175.3626 2 Q 4.2459 8.5456 123.4591 54.6029 30.5767 173.9200 3 R 4.7414 8.6583 116.3622 54.8100 34.1553 171.5035 4 V 4.4137 8.1622 119.5240 61.4021 34.3281 174.0723 5 T 4.5309 8.5049 117.5292 60.0627 70.2263 173.9394 6 I 4.6493 8.1283 125.4118 59.5826 40.7817 174.5727 7 T 4.6518 8.3012 118.3822 61.7755 70.5757 174.1121 8 L 4.8472 8.1610 124.9388 52.1826 45.5213 176.7390 9 D 4.6231 8.3802 121.7623 52.8442 41.7058 177.0098 10 D 4.4025 8.7404 121.4715 57.9377 40.8757 179.2784 11 D 4.3179 8.0346 118.6787 56.3994 39.4585 178.0904 12 L 3.9355 7.8510 121.4382 57.8741 42.1401 178.8332 13 L 4.0888 7.9036 118.8684 57.6918 41.3775 179.1089 14 E 4.0066 8.3667 119.5699 59.3647 29.5142 179.1257 15 T 3.9125 7.9871 115.9164 66.4595 68.6383 176.6056 16 L 3.9405 8.3336 122.6409 58.2246 41.8980 178.9497 17 D 4.4215 8.4957 120.5333 56.8469 40.7292 178.2561 18 S 4.0754 7.7626 113.5818 61.6078 62.1812 176.2429 19 L 4.0239 8.1218 122.8595 58.1828 41.7923 178.9399 20 S 4.3384 8.5079 114.7508 61.6999 62.7365 176.0308 21 Q 4.0837 8.5994 125.7850 59.6027 28.6394 178.9152 22 R 3.8770 7.7841 120.3302 60.1489 29.5335 180.9062 23 R 4.2109 8.4397 114.0559 55.9946 29.5326 177.9467 24 G 3.7216 7.7860 104.9349 48.2002 0.0000 173.6374 25 Y 4.9746 8.0695 114.5609 54.9420 40.8450 176.9464 26 N 4.4959 9.9580 121.2286 56.1528 39.0781 175.0267 27 N 4.5565 7.6934 114.0643 51.0089 40.8813 175.1234 28 R 3.8197 8.3166 118.6476 59.6688 29.9689 178.8333 29 S 4.0424 8.0972 112.1111 61.5626 62.3291 175.6822 30 E 3.9290 8.6943 121.5989 59.2341 29.4578 178.7185 31 A 3.0109 7.8173 120.7061 54.9323 18.4383 179.7392 32 I 3.6012 8.1324 118.7413 64.3893 37.0398 178.6085 33 R 3.8950 8.2779 119.9985 59.3577 29.6823 178.1596 34 D 4.3346 7.6345 117.2324 57.2519 41.1930 178.2837 35 I 3.6985 7.5080 119.8836 64.2372 36.9968 178.3224 36 L 3.9394 7.9362 119.8457 57.7124 41.5790 179.3089 37 R 3.8829 7.7284 118.2122 59.7197 30.0693 178.6914 38 S 4.0779 7.8356 114.3846 61.5007 62.6712 176.3511 39 A 3.9889 7.8767 122.0572 55.5211 18.4686 179.5697 40 L 4.0732 8.3568 117.2739 57.6481 41.3941 179.6165 41 A 4.0592 7.6447 120.0531 54.8876 18.6305 178.9120 42 Q 4.1559 7.9993 116.9924 57.9330 28.8532 176.4548 43 E 4.6052 7.8301 118.4468 57.2058 29.4750 176.6319 44 A 4.7133 7.5060 120.4449 52.0077 19.4904 177.5800 45 T 4.2936 7.7261 114.1777 62.1223 69.2256 174.3078 *49 G 4.0683 8.4890 112.8363 45.1030 0.0000 173.9788 50 T 4.5111 7.8216 109.9019 61.5406 70.8549 174.0052 51 Q 4.9454 8.0294 119.4409 52.6072 32.8962 180.4279 52 G 3.9010 7.1842 104.9957 46.5595 0.0000 170.9239 53 F 5.3903 8.0574 119.5120 56.1735 43.0961 174.1973 54 A 5.0356 8.9015 119.6540 51.1709 23.2031 175.4490 55 V 4.6669 8.8473 119.7993 61.0225 34.3801 174.0487 56 L 5.2557 8.9415 130.4249 53.6521 44.0914 175.2409 57 S 5.3406 9.1609 122.6279 56.8892 66.5321 172.7175 58 Y 5.2110 7.1027 118.9481 57.0759 41.5307 172.2381 59 V 5.1359 8.3694 120.1602 61.6265 35.0306 173.8164 60 Y 5.5220 8.5583 123.0222 56.5275 41.8632 173.0264 61 E 5.5888 9.0783 120.0532 54.3027 31.1699 176.9580 62 H 4.5349 9.0049 120.8546 58.6246 28.3684 176.2791 63 E 4.0899 7.6520 123.2001 56.0672 30.7330 181.6496 64 K 5.0523 6.8432 119.2436 54.2341 35.3545 179.6778 65 R 4.3014 8.4919 115.0551 58.7615 29.1873 175.2719 66 D 4.4602 8.5979 110.9577 54.6602 41.1994 175.4082 67 L 3.9263 8.2384 118.1387 57.3657 41.1532 178.1982 68 A 4.1735 7.7623 119.6451 55.8304 18.2235 180.0263 69 S 4.1497 8.0301 112.7161 61.4690 63.0508 176.7395 70 R 3.8209 7.8418 121.3886 59.6794 29.9274 178.7935 71 I 3.7832 8.1505 119.7638 64.0572 36.7130 178.6302 72 V 3.7501 7.2629 117.5686 65.7763 31.8193 177.9998 73 S 4.2418 8.2938 115.1602 61.8142 62.5953 176.4736 74 T 3.8672 8.3344 118.6889 67.0602 67.8326 176.5387 75 Q 4.1427 8.1096 119.5236 59.4085 28.8436 178.9182 76 H 4.4122 8.1569 116.6783 58.6631 28.5728 177.3161 77 H 4.4296 8.3201 117.5604 57.8631 28.6988 175.7233 78 H 5.0730 7.9080 117.4610 55.3668 29.6588 175.1827 79 H 4.3593 8.0029 117.7121 58.0111 28.3680 177.2415 80 D 4.2920 7.8618 118.9881 57.3285 40.9357 177.7449 81 L 4.5538 7.9682 117.9049 56.2514 41.8508 176.7492 82 S 4.5207 7.3376 114.1852 57.5174 63.0751 173.3067 83 V 4.1174 8.3321 127.8279 64.0615 32.2468 175.6718 84 A 4.4784 7.1351 119.0620 51.8190 22.2052 174.9542 85 T 5.0160 8.5627 115.6046 61.7315 71.7354 173.5661 86 L 4.5133 9.0257 129.3241 54.5810 44.0574 174.9815 87 H 5.1825 8.5746 124.2007 54.7624 32.9476 172.2304 88 V 4.2827 8.8033 126.1399 61.1420 34.1538 174.3439 89 H 4.7220 8.7334 125.8191 55.5138 28.3461 175.1284 90 I 4.0075 7.9195 118.9088 62.9947 38.2284 175.3474 91 N 4.7894 7.3797 115.4318 52.1820 39.1098 173.1665 92 H 4.3688 8.9047 113.5430 58.4745 29.5151 175.5419 93 D 4.8339 9.8741 119.5945 55.4484 43.1331 176.5172 94 D 5.2284 8.4155 117.0079 53.6584 43.1951 175.5166 95 C 4.7586 8.7352 118.3824 57.8371 32.6570 172.6775 96 L 4.8934 8.6687 125.6215 53.4766 43.5376 174.6867 97 E 4.9859 8.8048 126.9869 54.3376 33.4770 174.5674 98 I 4.8960 8.9697 125.6370 59.7689 41.2109 173.9525 99 A 5.0736 9.1842 130.5071 50.3392 21.0289 175.7052 100 V 4.4182 8.6490 123.8480 62.2759 33.0830 174.8867 101 L 5.1875 9.0053 127.6589 52.7820 45.3117 175.3848 102 K 4.4434 9.6805 123.0558 55.0960 36.0213 176.0461 103 G 3.9331 7.6066 111.3183 44.0725 0.0000 172.0120 104 D 4.7926 8.3780 119.2184 54.3557 42.9340 177.5690 105 M 4.1157 8.8235 126.8602 58.4967 32.0974 179.3466 106 G 3.6374 8.5180 105.8652 48.0352 0.0000 175.5281 107 D 4.4076 8.2654 121.2449 56.7142 40.8770 178.8907 108 V 3.5503 7.8257 118.8419 66.1909 31.1088 177.9698 109 Q 4.0469 8.6760 118.0739 59.3360 28.6037 178.6657 110 H 4.1241 8.2092 118.7438 59.1277 29.7533 176.8826 111 F 3.8109 8.5513 122.5444 61.3055 39.0719 176.8479 112 A 4.0998 8.2508 120.1335 55.4497 17.9911 179.2932 113 D 4.2265 7.7231 116.6003 57.6939 40.6754 178.8694 114 D 4.1965 7.6819 117.8806 56.3612 40.7177 178.1520 115 V 3.6946 6.8558 117.8416 64.2227 32.2271 176.9564 116 I 4.0485 7.5240 110.6624 61.5896 39.8572 176.6595 117 A 4.3307 7.3203 124.2339 50.3021 16.4601 175.6063 118 Q 4.5031 7.0155 119.8986 54.2870 31.6513 174.4468 119 R 3.9561 8.2929 119.6906 57.6404 30.6343 176.6015 120 G 4.0965 9.1209 112.4992 45.0254 0.0000 172.9313 121 V 4.7085 7.0824 117.7111 61.0711 33.6889 174.5695 122 R 4.6773 9.1175 124.5849 54.7536 33.7777 174.4946 123 H 4.3466 8.7663 112.0349 56.4416 26.4539 175.4813 124 G 3.9523 8.1941 105.7050 46.9845 0.0000 173.3916 125 H 5.0450 9.7642 124.3599 54.3503 33.9704 171.8378 126 L 5.2465 8.2025 125.9394 53.6281 44.7577 174.7850 127 Q 4.6867 8.9798 128.4828 54.7106 31.0186 173.8346 128 C 4.8521 8.7269 123.9511 58.5066 30.3164 173.9288 129 L 4.8437 8.9829 123.6513 52.0120 42.1850 174.3318 130 P 4.8019 0.0000 0.0000 62.7874 32.8623 178.3706 131 K 4.4071 9.5347 128.6764 54.6331 30.0239 178.7392 132 E 4.5936 8.1235 121.4057 56.2361 30.5376 175.9231 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.39 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 2 Q 8.55 4.25 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 3 R 8.66 4.74 0.00 1.75 1.62 0.00 3.24 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.41 0.00 4 V 8.16 4.41 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 0.97 0.00 0.00 0.93 0.00 0.00 5 T 8.50 4.53 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 1.21 0.00 0.00 6 I 8.13 4.65 1.86 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 1.41 0.67 0.90 0.00 0.00 7 T 8.30 4.65 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 1.21 0.00 0.00 8 L 8.16 4.85 0.00 1.57 1.51 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.38 4.62 0.00 2.87 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 10 D 8.74 4.40 0.00 2.70 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 11 D 8.03 4.32 0.00 2.87 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 12 L 7.85 3.94 0.00 1.86 1.87 0.91 0.64 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 13 L 7.90 4.09 0.00 1.92 1.70 0.92 0.82 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 14 E 8.37 4.01 0.00 2.14 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 2.31 2.35 0.00 15 T 7.99 3.91 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 1.21 0.00 0.00 16 L 8.33 3.94 0.00 1.71 1.85 0.85 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.50 4.42 0.00 2.73 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 18 S 7.76 4.08 0.00 3.90 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 0.00 19 L 8.12 4.02 0.00 1.84 1.82 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.51 4.34 0.00 4.14 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 0.00 21 Q 8.60 4.08 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 22 R 7.78 3.88 0.00 1.84 1.84 0.00 3.32 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 23 R 8.44 4.21 0.00 1.80 1.85 0.00 3.34 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 24 G 7.79 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 25 Y 8.07 4.97 0.00 3.00 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 26 N 9.96 4.50 0.00 2.83 2.91 0.00 0.00 6.81 8.31 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 27 N 7.69 4.56 0.00 2.86 2.92 0.00 0.00 6.28 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 28 R 8.32 3.82 0.00 1.86 2.01 0.00 3.14 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 29 S 8.10 4.04 0.00 3.88 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 30 E 8.69 3.93 0.00 2.20 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 0.00 2.76 2.50 0.00 31 A 7.82 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.13 3.60 1.82 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 1.35 0.93 0.88 0.00 0.00 33 R 8.28 3.89 0.00 1.96 2.13 0.00 3.10 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 34 D 7.63 4.33 0.00 2.99 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 35 I 7.51 3.70 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.54 0.89 0.00 0.00 36 L 7.94 3.94 0.00 1.95 1.71 0.91 0.60 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 37 R 7.73 3.88 0.00 2.06 2.08 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 38 S 7.84 4.08 0.00 3.86 3.90 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 39 A 7.88 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.36 4.07 0.00 1.79 1.73 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.64 4.06 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 42 Q 8.00 4.16 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 43 E 7.83 4.61 0.00 2.28 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 2.33 2.40 0.00 44 A 7.51 4.71 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 45 T 7.73 4.29 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 1.26 0.00 0.00 *49 G 8.49 4.07 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 0.00 0.00 0.00 50 T 7.82 4.51 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 1.20 0.00 0.00 51 Q 8.03 4.95 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.99 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 52 G 7.18 3.90 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 0.00 0.00 0.00 53 F 8.06 5.39 0.00 2.93 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 54 A 8.90 5.04 1.22 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 55 V 8.85 4.67 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 0.96 0.00 0.00 0.95 0.00 0.00 56 L 8.94 5.26 0.00 1.97 1.77 1.12 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.16 5.34 0.00 3.81 3.71 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 58 Y 7.10 5.21 0.00 3.15 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 59 V 8.37 5.14 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 1.05 0.00 0.00 0.97 0.00 0.00 60 Y 8.56 5.52 0.00 3.22 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 61 E 9.08 5.59 0.00 1.98 1.96 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 2.69 2.18 0.00 62 H 9.00 4.53 0.00 3.47 3.63 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.65 4.09 0.00 2.02 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 2.29 1.96 0.00 64 K 6.84 5.05 0.00 1.84 1.45 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.05 7.81 65 R 8.49 4.30 0.00 1.80 1.95 0.00 3.48 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 66 D 8.60 4.46 0.00 2.77 2.65 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 67 L 8.24 3.93 0.00 2.08 1.61 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.76 4.17 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.03 4.15 0.00 4.03 3.92 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 0.00 0.00 0.00 70 R 7.84 3.82 0.00 1.99 1.93 0.00 3.04 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 71 I 8.15 3.78 1.60 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.27 0.75 0.00 0.00 72 V 7.26 3.75 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 0.93 0.00 0.00 1.07 0.00 0.00 73 S 8.29 4.24 0.00 4.03 3.86 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 74 T 8.33 3.87 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 1.00 0.00 0.00 75 Q 8.11 4.14 0.00 2.34 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 76 H 8.16 4.41 0.00 3.34 3.33 0.00 5.62 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 77 H 8.32 4.43 0.00 3.23 3.19 0.00 5.59 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.91 5.07 0.00 3.63 3.57 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.00 4.36 0.00 3.39 3.74 0.00 5.74 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.86 4.29 0.00 2.62 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 81 L 7.97 4.55 0.00 1.79 1.39 0.99 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.34 4.52 0.00 3.84 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 83 V 8.33 4.12 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 0.84 0.00 0.00 1.02 0.00 0.00 84 A 7.14 4.48 1.22 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 85 T 8.56 5.02 4.33 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 1.33 0.00 0.00 86 L 9.03 4.51 0.00 1.73 1.49 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.57 5.18 0.00 3.16 3.07 0.00 5.74 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.80 4.28 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 0.95 0.00 0.00 0.88 0.00 0.00 89 H 8.73 4.72 0.00 3.17 3.20 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.92 4.01 1.84 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 1.35 0.52 0.86 0.00 0.00 91 N 7.38 4.79 0.00 2.79 2.82 0.00 0.00 6.05 7.90 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 92 H 8.90 4.37 0.00 3.20 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 9.87 4.83 0.00 2.42 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 94 D 8.42 5.23 0.00 2.57 2.53 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 95 C 8.74 4.76 0.00 1.87 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.67 4.89 0.00 1.64 1.57 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.80 4.99 0.00 2.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 98 I 8.97 4.90 1.83 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 0.49 0.94 0.00 0.00 99 A 9.18 5.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.65 4.42 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 1.00 0.00 0.00 0.94 0.00 0.00 101 L 9.01 5.19 0.00 1.47 1.31 0.51 0.04 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 0.00 102 K 9.68 4.44 0.00 1.66 1.44 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.69 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.84 0.21 7.81 103 G 7.61 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 0.00 104 D 8.38 4.79 0.00 2.68 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 0.00 105 M 8.82 4.12 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 106 G 8.52 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 0.00 0.00 0.00 0.00 107 D 8.27 4.41 0.00 2.80 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 0.00 108 V 7.83 3.55 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 1.03 0.00 0.00 0.88 0.00 0.00 109 Q 8.68 4.05 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 110 H 8.21 4.12 0.00 3.30 3.55 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.55 3.81 0.00 3.29 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 0.00 112 A 8.25 4.10 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 0.00 113 D 7.72 4.23 0.00 2.83 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 0.00 114 D 7.68 4.20 0.00 2.47 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 6.86 3.69 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 0.04 0.00 0.00 0.48 0.00 0.00 116 I 7.52 4.05 1.84 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 1.65 0.75 0.74 0.00 0.00 117 A 7.32 4.33 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 0.00 118 Q 7.02 4.50 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.05 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 119 R 8.29 3.96 0.00 1.78 1.86 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 120 G 9.12 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 0.00 0.00 0.00 0.00 121 V 7.08 4.71 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 0.87 0.00 0.00 0.90 0.00 0.00 122 R 9.12 4.68 0.00 1.89 1.57 0.00 3.40 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 123 H 8.77 4.35 0.00 3.31 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.19 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 0.00 125 H 9.76 5.04 0.00 3.19 3.14 0.00 5.53 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.20 5.25 0.00 1.67 1.50 1.00 0.72 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 0.00 127 Q 8.98 4.69 0.00 2.31 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 128 C 8.73 4.85 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.98 4.84 0.00 1.73 1.63 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.80 0.00 2.20 2.06 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 131 K 9.53 4.41 0.00 1.51 1.68 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.27 7.81 132 E 8.12 4.59 0.00 1.92 1.66 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 2.00 1.72 0.00 * Residues marked with a * may have inaccurate shift predictions.