NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-1 H 4.6917 8.4444 117.3763 54.8858 29.6231 173.0738 0 H 4.2982 8.4059 111.6819 57.3763 28.1817 172.6402 2 D 5.0475 8.9263 124.1592 54.6092 41.6942 174.0312 3 I 4.5480 8.1244 123.8461 60.0173 38.9247 175.2171 4 R 4.6663 9.0329 124.9333 54.5560 33.0965 174.5213 5 Y 5.0930 8.2582 119.0634 56.1998 41.2440 175.0490 6 F 4.8156 9.3032 121.6716 55.9348 43.1780 175.4706 7 G 4.1346 9.0123 110.6738 46.9039 0.0000 173.7481 8 T 4.2720 8.2547 114.9153 62.6670 69.3391 174.5844 9 T 4.5166 8.4854 115.7849 58.6201 71.4577 173.2448 10 P 4.3221 0.0000 0.0000 64.5222 31.4424 177.3977 11 R 4.3943 6.9692 116.2054 57.4748 31.5620 174.9795 12 Y 4.7521 7.2242 113.3991 56.3156 40.7642 172.6432 13 S 5.1679 8.3106 115.8935 56.7618 65.4549 175.4068 14 E 3.9163 8.5335 122.9061 58.9939 30.2999 176.9722 15 A 5.1799 8.2209 119.5933 50.3684 23.3328 175.5437 16 V 4.8418 9.0438 120.1165 61.1809 35.4771 174.5070 17 G 4.7173 9.3372 114.0529 44.6058 0.0000 171.3321 18 A 4.8649 9.3558 124.9500 51.6098 22.9871 176.2602 19 N 4.0388 8.9227 118.9365 54.5690 37.7894 174.4207 20 G 4.0561 8.0864 109.7255 45.1164 0.0000 172.1685 21 L 4.9461 7.6771 119.3688 53.6966 44.1356 175.8944 22 I 5.1431 8.3970 121.7849 59.6948 41.4412 174.2166 23 F 5.1227 9.5671 126.0614 55.7097 41.3560 174.5367 24 L 5.0455 8.6755 124.5475 53.3109 42.8381 177.1812 25 S 4.1669 8.4911 119.2496 58.6692 63.6949 175.9519 26 G 4.0094 8.1166 109.4961 44.9958 0.0000 173.0589 *28 V 3.4596 7.9203 111.0132 59.9205 32.4018 173.8068 29 P 4.3344 0.0000 0.0000 63.0302 31.5159 176.4652 30 E 4.6266 9.4871 121.2256 56.4977 31.0622 175.6743 31 N 4.9572 7.8927 114.3279 52.4191 42.7768 174.9171 32 G 4.1057 8.9307 104.8845 46.2451 0.0000 172.5320 33 E 4.4591 8.8054 119.8951 57.5136 31.4865 177.6266 34 T 4.2411 7.8217 108.1718 60.8432 71.1054 174.9586 35 A 3.9753 8.5807 123.3883 55.5216 18.3923 179.9394 36 A 3.9573 8.1396 118.7002 55.3440 18.5063 179.7693 37 E 3.9279 8.2508 117.0512 59.7516 29.5939 179.6976 38 Q 4.1526 8.4948 118.5040 59.1061 28.6592 178.8208 39 T 3.7890 8.3678 117.0620 66.4390 68.4928 176.3298 40 A 3.8913 7.9670 122.5928 55.3624 18.4300 179.1445 41 D 4.2350 7.9378 116.2808 57.4517 41.2679 178.7154 42 V 3.4982 7.7807 118.6838 66.0031 31.5592 178.0918 43 L 3.4387 7.9493 118.6997 57.3246 41.1871 179.4381 44 A 4.0301 7.9491 120.9680 55.0852 18.2285 179.5221 45 Q 3.9460 8.0589 116.6046 59.2922 28.7988 179.2862 46 I 3.8551 7.8314 120.5398 64.5640 37.1884 177.9436 47 D 4.5402 8.3670 119.6682 57.8061 40.7382 179.4544 48 R 3.8043 7.8934 118.1667 59.0742 29.9038 179.2413 49 W 4.3810 8.4226 118.9925 59.4369 29.0044 178.7933 50 L 4.0087 8.5819 119.5675 57.4519 41.0856 179.0475 51 A 4.0102 7.9906 120.8032 55.4191 18.1277 179.2201 52 E 3.8697 7.7818 116.0386 59.3111 29.6792 177.8904 53 C 3.9747 7.3706 113.8196 58.7195 28.7242 173.7020 54 G 3.7729 8.1122 109.3824 46.6527 0.0000 173.2310 55 S 4.8367 7.9892 115.0144 56.8879 65.6143 171.1489 56 D 4.5631 7.9034 118.3707 52.4508 41.4609 176.0842 57 K 3.7692 8.3529 117.2364 59.7564 32.4176 178.2406 58 A 4.1794 7.6188 119.5369 53.2606 18.3093 177.0007 59 H 4.8277 8.2957 113.4124 55.2704 30.1637 173.1254 60 V 4.0833 7.5120 119.8406 62.7655 32.2076 175.8081 61 L 4.3517 9.0906 127.9550 57.2113 42.9254 176.3658 62 D 5.3073 7.8401 116.3155 52.8389 45.2083 173.7376 63 A 5.1447 9.2967 126.1038 50.3049 22.7845 174.8239 64 V 4.5314 8.6889 122.6564 60.9593 34.3009 174.3042 65 I 4.5941 8.2413 128.7833 59.7072 39.8001 173.9430 66 Y 5.1709 8.8553 125.6693 56.3638 39.9477 174.7962 67 L 5.2177 8.5715 124.2265 52.8172 44.2010 177.7656 68 R 4.1050 8.5559 123.1216 58.8769 30.8436 175.3480 69 D 4.9244 7.0604 115.5830 52.3126 43.9008 174.6608 *71 G 3.8547 8.5595 105.2680 45.5906 0.0000 173.1747 72 D 4.7847 8.2981 119.2910 54.2664 41.1192 177.5285 73 Y 4.0694 8.2096 121.0578 60.8772 39.1240 177.4153 74 A 3.9866 8.1913 121.9798 55.2645 18.6086 179.2368 75 E 3.9333 7.7780 112.5198 57.3955 29.2750 177.9653 *77 N 4.5530 8.3180 116.8208 52.8748 40.8422 176.8697 78 G 3.5987 8.1014 104.7490 47.7493 0.0000 175.9098 79 V 3.7778 7.4448 119.9866 65.3018 31.6179 177.6835 80 W 4.2958 8.2864 127.6517 60.9832 30.2762 177.3056 81 D 4.3866 8.7898 117.3475 57.5455 40.3323 178.5596 82 A 4.1377 7.5785 118.8822 54.2011 18.4565 179.0362 83 W 4.2384 7.6240 125.8827 59.1848 31.3749 177.4884 84 V 2.7735 6.9184 110.5312 60.9848 31.7052 175.7291 85 A 3.8643 7.7707 125.3937 51.0766 18.4618 177.2124 86 A 4.1407 8.2402 126.6272 53.8621 18.8820 177.9198 87 G 4.0496 9.0287 110.0236 45.7500 0.0000 173.6472 88 R 4.6605 7.5359 118.6731 55.7169 31.2228 175.5842 89 T 4.1537 7.8735 107.5800 60.5812 70.0313 172.5488 90 P 4.7592 0.0000 0.0000 61.7540 33.1528 175.4766 91 A 4.2013 8.4808 122.3934 52.7900 19.2301 176.7475 92 R 5.1542 8.4801 120.4749 54.7259 33.6727 173.9606 93 A 4.7432 8.7302 125.5147 50.3000 23.0666 174.5205 94 C 5.0044 8.5483 120.1048 57.7831 34.3437 173.4816 95 V 4.5589 8.5051 118.3953 59.4618 36.4005 174.0454 96 E 5.0450 8.6334 123.0966 55.3344 31.2047 174.8027 97 A 4.7480 9.1039 128.2920 50.7168 23.1486 175.7747 98 R 4.1191 8.7044 121.5887 56.1099 29.9656 176.4333 99 L 4.6288 8.1480 121.0674 52.7492 44.0314 177.2768 100 A 4.1333 8.7919 121.6462 54.4061 18.6652 178.0202 101 R 4.2569 6.4136 115.2135 53.0696 33.0081 174.8294 102 P 4.2073 0.0000 0.0000 65.7661 31.1159 177.1710 103 E 4.1729 7.7990 114.2977 56.9911 30.1587 176.5029 104 W 4.6243 7.9555 121.3284 56.9874 29.6492 176.0893 105 R 4.7636 9.4918 122.5094 56.4497 31.4221 176.3347 106 V 5.0405 7.5816 117.0256 60.4717 34.0445 173.4848 107 E 4.6608 9.1924 123.1195 54.8416 33.3883 173.7400 108 I 4.9804 8.3890 126.5494 59.3507 40.5042 174.4225 109 K 4.5947 9.0853 128.7573 54.7535 34.2700 174.6930 110 I 5.0585 8.4401 127.6290 59.8511 40.6200 174.4473 111 T 4.8181 8.7825 122.1418 61.8133 71.4971 173.2388 112 A 5.1725 8.8919 126.8501 50.6397 23.6050 174.6236 113 V 4.7782 8.2966 118.0811 59.6353 33.9292 175.8381 114 K 4.1546 9.2335 126.1747 56.1392 32.6390 176.8965 115 R 4.0135 8.3954 127.0404 56.4063 30.5883 176.5495 116 D 4.4730 8.6143 122.7816 53.9968 41.8209 176.3672 117 A 4.1966 8.4360 124.1865 52.5151 18.6800 177.3977 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 H 8.44 4.69 0.00 2.95 2.96 0.00 7.17 0.00 0.00 0.00 0.00 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 H 8.41 4.30 0.00 3.25 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.93 5.05 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.12 4.55 1.81 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 1.28 0.52 0.27 0.00 0.00 4 R 9.03 4.67 0.00 1.71 1.38 0.00 3.10 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 5 Y 8.26 5.09 0.00 2.66 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 6 F 9.30 4.82 0.00 2.93 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 9.01 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 8 T 8.25 4.27 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 1.08 0.00 0.00 9 T 8.49 4.52 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 0.80 0.00 0.00 10 P 0.00 4.32 0.00 2.01 2.11 0.00 3.52 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 11 R 6.97 4.39 0.00 1.82 1.91 0.00 3.54 0.00 0.00 3.41 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.65 0.00 12 Y 7.22 4.75 0.00 3.20 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.31 5.17 0.00 3.95 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.53 3.92 0.00 1.16 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 2.25 1.66 0.00 15 A 8.22 5.18 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 16 V 9.04 4.84 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 0.68 0.00 0.00 0.97 0.00 0.00 17 G 9.34 4.72 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 18 A 9.36 4.86 1.24 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 0.00 0.00 19 N 8.92 4.04 0.00 3.04 2.94 0.00 0.00 7.42 7.86 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 20 G 8.09 4.06 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 0.00 21 L 7.68 4.95 0.00 1.87 1.45 1.05 0.68 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 22 I 8.40 5.14 1.91 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 1.24 0.77 0.90 0.00 0.00 23 F 9.57 5.12 0.00 2.89 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 24 L 8.68 5.05 0.00 1.55 1.58 1.03 1.00 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 25 S 8.49 4.17 0.00 3.57 3.52 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 26 G 8.12 4.01 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 0.00 0.00 0.00 *28 V 7.92 3.46 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 0.22 0.00 0.00 0.08 0.00 0.00 29 P 0.00 4.33 0.00 1.98 1.93 0.00 2.51 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 30 E 9.49 4.63 0.00 2.02 1.99 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 2.28 2.21 0.00 31 N 7.89 4.96 0.00 2.79 2.67 0.00 0.00 7.15 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 32 G 8.93 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 0.00 0.00 0.00 0.00 33 E 8.81 4.46 0.00 1.92 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 2.23 2.28 0.00 34 T 7.82 4.24 4.43 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 1.28 0.00 0.00 35 A 8.58 3.98 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.14 3.96 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 37 E 8.25 3.93 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 38 Q 8.49 4.15 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 39 T 8.37 3.79 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 40 A 7.97 3.89 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.94 4.24 0.00 2.81 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 42 V 7.78 3.50 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.81 0.00 0.00 43 L 7.95 3.44 0.00 1.16 0.13 0.55 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.95 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.06 3.95 0.00 2.38 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 46 I 7.83 3.86 1.98 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 1.60 0.76 1.14 0.00 0.00 47 D 8.37 4.54 0.00 3.00 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 48 R 7.89 3.80 0.00 1.71 1.53 0.00 2.93 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 49 W 8.42 4.38 0.00 3.40 3.17 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 50 L 8.58 4.01 0.00 1.75 1.70 1.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.99 4.01 1.35 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 0.00 0.00 52 E 7.78 3.87 0.00 2.05 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 0.00 2.52 2.42 0.00 53 C 7.37 3.97 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.11 3.77 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 0.00 0.00 0.00 55 S 7.99 4.84 0.00 3.70 3.80 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 56 D 7.90 4.56 0.00 2.82 2.69 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 57 K 8.35 3.77 0.00 0.83 1.74 0.00 0.61 0.00 0.00 1.42 0.00 0.00 2.56 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.05 0.62 7.81 58 A 7.62 4.18 1.13 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 59 H 8.30 4.83 0.00 3.29 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.51 4.08 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 0.97 0.00 0.00 1.06 0.00 0.00 61 L 9.09 4.35 0.00 1.68 1.66 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.84 5.31 0.00 2.76 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 63 A 9.30 5.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.69 4.53 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.86 0.00 0.00 65 I 8.24 4.59 1.59 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.43 0.76 0.00 0.00 66 Y 8.86 5.17 0.00 2.87 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 67 L 8.57 5.22 0.00 1.63 1.59 1.04 0.54 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 68 R 8.56 4.10 0.00 2.06 2.01 0.00 3.33 0.00 0.00 3.04 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.45 0.00 69 D 7.06 4.92 0.00 2.71 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 *71 G 8.56 3.85 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 0.00 0.00 0.00 72 D 8.30 4.78 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 73 Y 8.21 4.07 0.00 2.80 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 74 A 8.19 3.99 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 75 E 7.78 3.93 0.00 1.98 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 0.00 2.38 2.29 0.00 *77 N 8.32 4.55 0.00 2.81 2.76 0.00 0.00 6.91 7.95 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 78 G 8.10 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.44 3.78 2.12 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 1.02 0.00 0.00 1.00 0.00 0.00 80 W 8.29 4.30 0.00 3.44 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.79 4.39 0.00 2.76 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 82 A 7.58 4.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 W 7.62 4.24 0.00 3.20 3.22 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 84 V 6.92 2.77 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 -0.32 0.00 0.00 0.78 0.00 0.00 85 A 7.77 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.24 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 G 9.03 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.54 4.66 0.00 1.72 1.75 0.00 3.06 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 89 T 7.87 4.15 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 90 P 0.00 4.76 0.00 2.26 2.36 0.00 3.96 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 91 A 8.48 4.20 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 92 R 8.48 5.15 0.00 1.85 1.71 0.00 2.21 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.25 0.00 93 A 8.73 4.74 1.11 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 0.00 0.00 94 C 8.55 5.00 0.00 2.88 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 95 V 8.51 4.56 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 0.69 0.00 0.00 1.02 0.00 0.00 96 E 8.63 5.04 0.00 2.04 1.82 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 2.47 2.32 0.00 97 A 9.10 4.75 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 98 R 8.70 4.12 0.00 1.81 1.87 0.00 3.18 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 99 L 8.15 4.63 0.00 2.00 1.96 1.10 1.00 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 0.00 100 A 8.79 4.13 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 0.00 101 R 6.41 4.26 0.00 0.67 1.33 0.00 2.78 0.00 0.00 2.92 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 102 P 0.00 4.21 0.00 2.11 2.13 0.00 3.50 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.87 0.00 103 E 7.80 4.17 0.00 2.15 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 2.18 2.28 0.00 104 W 7.96 4.62 0.00 3.51 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 9.49 4.76 0.00 1.84 1.99 0.00 3.17 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 106 V 7.58 5.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.95 0.00 0.00 107 E 9.19 4.66 0.00 2.04 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 2.26 2.20 0.00 108 I 8.39 4.98 1.83 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 1.12 0.73 0.98 0.00 0.00 109 K 9.09 4.59 0.00 1.99 1.73 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 110 I 8.44 5.06 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.95 0.98 0.00 0.00 111 T 8.78 4.82 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 0.51 0.00 0.00 112 A 8.89 5.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.30 4.78 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 1.03 0.00 0.00 114 K 9.23 4.15 0.00 1.75 1.76 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.59 7.81 115 R 8.40 4.01 0.00 1.79 1.77 0.00 3.11 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.24 0.00 116 D 8.61 4.47 0.00 2.66 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 0.00 117 A 8.44 4.20 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.