NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4050 8.3344 116.7965 58.9467 64.5141 176.7441 1 M 4.1545 8.6738 126.3230 52.8904 29.9465 171.1799 2 S 4.5746 7.6876 123.1104 57.7740 70.0800 177.4840 3 G 3.8242 7.9371 107.1628 47.7743 0.0000 175.3119 4 I 3.7522 7.7415 114.6249 63.7168 37.6279 178.1923 5 A 4.1627 7.7603 121.2909 54.9469 18.3642 179.3337 6 L 3.9187 8.0024 117.0554 58.2685 41.4021 179.6081 7 S 4.1228 8.2490 112.8194 61.4730 62.3337 176.2386 8 R 3.9452 7.9869 121.3727 59.4448 29.8331 178.5465 9 L 4.0326 8.4732 118.8892 57.4094 41.6484 179.2388 10 A 4.0739 8.1141 121.1223 55.2352 18.2031 179.7306 11 Q 4.0003 7.9162 116.1555 59.0546 28.7421 178.5066 12 E 4.0442 8.0793 119.5190 59.6563 29.4937 179.5407 13 R 4.2954 8.4638 118.4541 59.4716 29.9858 178.2689 14 K 3.9460 7.8908 117.5539 59.7161 31.9481 178.2754 15 A 4.2158 8.5008 121.1999 54.6339 18.2606 179.4923 16 W 4.1675 8.7088 127.1803 60.8407 30.7687 178.4249 17 R 4.1963 8.5586 116.4871 57.7679 29.4636 177.3722 18 K 4.4165 6.9410 115.2056 55.6626 33.0204 175.8564 19 D 4.2374 7.7063 113.9150 54.4674 42.9672 174.4480 20 H 4.6262 7.7180 120.1435 52.6100 31.9776 171.8242 21 P 4.4844 0.0000 0.0000 61.8581 31.9286 176.0274 22 F 4.2504 8.7876 123.9251 59.8903 39.6775 174.9438 23 G 3.9493 8.3738 115.8559 45.1686 0.0000 173.5395 24 F 4.9240 7.7885 117.5412 57.2145 40.1527 175.9252 25 V 4.9946 8.9001 114.3332 59.9471 35.9211 175.0144 26 A 5.0571 9.1423 126.5656 50.7484 20.6228 175.2930 27 V 4.0707 8.7492 120.5207 59.5735 34.8801 173.6657 28 P 3.7557 0.0000 0.0000 63.0343 31.8263 176.1098 29 T 4.0071 8.8207 118.5366 62.0884 68.5601 173.3637 30 K 4.9779 8.2606 126.4255 54.0321 34.2222 175.3370 *35 T 4.0370 7.9757 115.5031 62.0808 68.1392 172.4164 36 M 4.5479 8.4147 127.6433 54.0846 33.5345 175.6274 37 N 4.6787 8.4716 122.6018 51.7236 38.2882 175.3069 38 L 4.1357 8.2411 125.4730 56.9628 42.1411 178.4102 39 M 4.3228 8.4562 118.0877 56.5193 32.4657 175.1723 40 N 5.5043 8.6911 118.3265 52.2454 42.0045 173.0648 41 W 5.2180 9.3777 126.5796 55.1249 32.6092 174.9187 42 E 5.1209 9.1039 122.2030 55.0736 31.4943 175.1117 43 C 5.6230 9.2541 120.8380 58.2564 33.4566 172.8049 44 A 5.2171 9.0858 120.9914 50.8127 22.6079 175.1642 45 I 4.5603 9.5553 124.3680 58.8557 39.8913 173.4574 46 P 4.9408 0.0000 0.0000 61.7481 32.0760 176.6101 47 G 4.1490 9.1685 111.8210 46.1602 0.0000 173.4393 48 K 4.3246 8.7649 123.8966 55.5775 33.0248 176.3143 49 K 4.1442 8.5286 125.3280 58.1857 33.0869 177.2725 50 G 4.0309 9.1222 111.6611 45.1600 0.0000 173.0181 51 T 4.7684 7.4828 109.8194 58.9871 71.0930 173.6614 52 P 4.4288 0.0000 0.0000 64.2061 31.4860 177.2489 53 W 4.6224 8.2971 118.1711 56.5381 29.7238 175.9513 54 E 4.2609 8.3114 120.9716 57.9648 29.2191 176.8136 55 G 4.0588 9.3083 114.2718 45.0542 0.0000 173.2387 56 G 3.6780 8.0111 107.2291 45.5020 0.0000 173.0568 57 L 4.9301 7.9468 124.3469 53.1007 44.2069 175.4587 58 F 4.7389 9.5494 126.8816 55.7928 41.0788 175.3687 59 K 5.0406 8.7173 123.4508 55.4865 33.9489 175.7899 60 L 5.2495 8.7923 123.0791 52.9081 46.4647 175.0359 61 R 4.8837 8.8517 120.7204 54.8864 32.9156 174.2044 62 M 4.0926 9.0040 127.0526 53.9080 33.5529 174.1195 63 L 4.7598 8.1321 127.3784 53.6009 43.1015 176.8875 64 F 4.6856 8.9600 123.6688 56.0440 41.0894 175.2436 65 K 4.7743 8.2915 118.0296 54.2392 35.7230 177.4454 66 D 4.3919 8.8234 120.2158 56.2057 39.4796 176.9677 67 D 4.7401 8.0292 117.4755 53.0081 39.9467 175.4661 68 Y 4.5937 7.9499 121.8051 57.6008 39.3187 173.3676 69 P 3.9916 0.0000 0.0000 62.5893 31.5350 178.0515 70 S 4.2965 8.1773 116.5244 60.6685 63.2748 174.3948 71 S 4.8153 7.8212 114.0296 55.6290 65.0504 171.8983 72 P 2.9700 0.0000 0.0000 60.4602 31.9258 174.5258 73 P 3.9787 0.0000 0.0000 62.4389 32.3918 176.0467 74 K 4.1516 8.4969 124.1453 55.2248 33.7643 174.7696 75 C 4.8779 8.2711 126.0615 58.1615 30.0832 172.9093 76 K 4.8877 8.3453 123.5228 54.4202 34.7966 175.5108 77 F 4.9265 8.7869 123.7888 57.1382 39.9774 175.2084 78 E 4.6641 9.3839 123.1491 54.0341 31.5905 174.3822 79 P 4.6691 0.0000 0.0000 60.5455 32.5560 174.6045 80 P 4.5080 0.0000 0.0000 63.4720 31.3471 176.1839 81 L 4.3442 8.2295 120.7817 53.5369 43.0551 176.3642 82 F 4.5674 8.4944 122.7477 58.0104 38.8894 174.4149 83 H 4.5397 8.0356 124.4666 54.5683 32.6898 172.8281 84 P 4.1469 0.0000 0.0000 65.3305 31.4397 177.2033 85 N 4.7798 8.2520 113.9259 52.5585 38.7321 173.8941 86 V 4.6986 7.6417 118.3118 60.8487 33.8297 175.1942 87 Y 4.3514 8.1823 124.6579 57.5411 38.3607 175.9504 88 P 4.4406 0.0000 0.0000 65.5561 31.6237 178.4315 89 S 4.2171 8.1275 112.1592 60.0482 63.2933 174.7592 90 G 4.1669 8.4795 108.1021 45.4089 0.0000 173.7655 91 T 4.2625 7.8349 117.8328 64.3527 69.6119 173.2544 92 V 4.3556 8.5544 126.8582 62.0306 32.5025 174.8990 93 C 4.5329 8.6956 126.9522 58.7940 28.9893 173.2940 94 L 4.3338 8.2799 122.9654 53.9806 45.0598 175.0948 95 S 4.1618 9.0120 122.8843 61.8486 62.9688 176.9867 96 I 4.0082 7.8358 112.6232 63.4429 37.4523 176.7493 97 L 4.5384 7.9495 120.4902 54.3775 41.4724 175.9270 98 E 4.5180 8.2493 119.5695 54.3781 31.3844 176.0463 99 E 4.0745 9.1545 125.7391 59.5972 29.5041 177.6165 100 D 4.9591 8.0481 114.4417 53.1357 41.2068 175.7493 101 K 4.4052 8.7533 117.8117 57.6278 32.0836 176.6994 102 D 4.6936 9.3533 126.0174 54.3690 42.0699 176.2878 103 W 4.7092 8.0509 129.9592 56.9082 31.3009 175.0598 104 R 4.1783 7.2677 123.9853 53.2190 32.2108 175.0540 105 P 4.1182 0.0000 0.0000 64.5293 31.4539 177.5801 106 A 3.9740 7.3620 119.4476 53.8685 18.7113 177.7399 107 I 3.6808 6.8130 117.4479 62.2586 37.5317 176.7724 108 T 4.6226 9.1826 116.6423 60.7400 71.4734 176.1491 109 I 3.6297 8.3495 122.1359 64.1798 37.0213 178.4868 110 K 4.0758 8.3076 120.0785 59.9305 31.9725 178.2657 111 Q 3.9942 8.0971 117.9362 59.1662 28.6012 179.1789 112 I 3.6975 7.9386 120.4788 64.6429 37.3217 178.5958 113 L 4.0274 8.3637 119.9339 57.6414 41.3869 179.8064 114 L 4.0801 8.5196 119.6743 57.6794 41.5070 179.4404 115 G 3.7339 8.6622 106.0001 48.1272 0.0000 175.7538 116 I 3.7680 7.8491 121.2721 63.8440 37.3953 178.0496 117 Q 4.0717 8.0425 120.4754 59.2542 28.7847 177.9478 118 E 3.9538 8.0546 118.8967 59.0210 30.0562 178.2189 119 L 4.0307 7.5945 120.4506 57.3533 41.8014 178.6875 120 L 3.1322 7.1522 118.6575 57.2348 41.5516 178.2210 121 N 4.9188 7.4896 112.3857 53.1093 40.6846 174.5677 122 E 4.7349 7.2938 116.6626 54.1197 29.7818 173.6796 123 P 4.1515 0.0000 0.0000 62.8533 32.5361 176.6936 124 N 4.5907 9.3465 121.1680 52.1175 37.6371 175.6249 125 I 3.8555 7.8536 125.3836 62.9926 37.5747 177.5526 126 Q 4.1231 7.7285 118.9916 57.5121 29.3899 175.5045 127 D 4.7049 7.4663 116.2898 52.2575 41.1372 173.8666 128 P 4.1491 0.0000 0.0000 62.5998 32.4107 176.7309 129 A 3.9779 8.8116 125.8910 52.8164 20.1856 177.0710 130 Q 4.4257 7.4694 116.9980 54.3887 30.6358 175.8696 131 A 4.1064 8.7479 127.5716 55.9700 18.5008 178.1246 132 E 3.9440 8.5202 116.9607 59.3360 29.4366 178.2518 133 A 3.7559 7.8803 119.4701 55.4829 18.5334 178.9223 134 Y 4.0042 7.7948 117.5045 61.1728 38.9432 178.0338 135 T 3.6340 8.4018 116.8932 66.9175 68.5729 176.3681 136 I 3.7564 8.0916 121.5243 64.8450 36.9905 177.9271 137 Y 3.6284 8.1334 119.2208 60.3911 38.5582 177.2289 138 C 4.3471 7.8336 116.5278 60.4775 28.6305 174.0875 139 Q 4.5324 7.6657 115.4456 55.6916 29.8103 175.9980 140 N 4.7911 8.2380 116.3139 51.6139 40.8387 174.2101 141 R 3.7744 8.0469 123.4630 58.5686 30.3083 177.7646 142 V 3.5831 7.7689 117.9466 65.9140 31.6828 177.4908 143 E 3.9188 8.2779 118.7861 59.0495 29.3919 178.3073 144 Y 4.1772 7.8682 119.4401 60.8485 39.0197 177.4613 145 E 3.9325 8.5237 119.6139 59.0591 29.4759 179.3264 146 K 3.8788 8.2236 119.9925 59.5929 32.2833 179.2135 147 R 3.6989 7.7952 118.3511 58.9187 29.7157 179.2637 148 V 3.0815 7.3777 118.2428 65.6016 31.3152 178.3536 149 R 3.7220 7.8114 117.5683 59.1854 29.9047 178.4247 150 A 3.8620 7.6826 120.4153 55.3908 18.2859 179.1280 151 Q 3.8961 7.9223 116.9263 59.4230 28.9073 178.7619 152 A 4.1640 7.8129 120.2950 55.2375 18.7258 179.2814 153 K 3.9969 8.2716 118.2455 59.5053 32.0912 178.8821 154 K 3.7853 8.3829 119.0840 59.0297 32.2502 177.6459 155 F 4.5810 8.2901 116.5342 56.3304 39.1665 175.4811 156 A 4.6300 7.0664 121.4041 50.5320 18.7769 176.5829 157 P 4.3911 0.0000 0.0000 62.8909 32.3046 177.0681 158 S 4.1275 8.4880 114.2831 59.3661 62.7209 172.0003 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 0 S 8.33 4.40 0.00 3.88 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.67 4.15 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 2 S 7.69 4.57 0.00 3.84 3.75 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 3 G 7.94 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 4 I 7.74 3.75 1.88 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 1.60 0.62 0.92 0.00 0.00 5 A 7.76 4.16 1.60 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 6 L 8.00 3.92 0.00 1.72 1.76 0.94 0.80 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 7 S 8.25 4.12 0.00 3.97 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 8 R 7.99 3.95 0.00 2.03 2.25 0.00 3.22 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.90 0.00 9 L 8.47 4.03 0.00 1.84 1.76 0.35 -0.48 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 10 A 8.11 4.07 1.44 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 0.00 0.00 11 Q 7.92 4.00 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 12 E 8.08 4.04 0.00 2.24 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 2.60 2.46 0.00 13 R 8.46 4.30 0.00 2.17 2.07 0.00 2.77 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 14 K 7.89 3.95 0.00 2.00 2.07 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.65 7.81 15 A 8.50 4.22 1.47 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 0.00 0.00 16 W 8.71 4.17 0.00 3.65 3.50 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 17 R 8.56 4.20 0.00 1.91 2.06 0.00 3.23 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.07 0.00 18 K 6.94 4.42 0.00 1.84 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.64 1.34 7.81 19 D 7.71 4.24 0.00 2.53 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 7.72 4.63 0.00 2.28 1.43 0.00 5.58 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 21 P 0.00 4.48 0.00 2.55 2.12 0.00 3.36 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 1.45 1.91 0.00 22 F 8.79 4.25 0.00 3.08 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 23 G 8.37 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 24 F 7.79 4.92 0.00 3.32 3.53 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 25 V 8.90 4.99 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 0.80 0.00 0.00 1.06 0.00 0.00 26 A 9.14 5.06 0.17 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 27 V 8.75 4.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.77 0.00 0.00 28 P 0.00 3.76 0.00 1.55 1.52 0.00 3.08 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 0.00 29 T 8.82 4.01 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 1.22 0.00 0.00 30 K 8.26 4.98 0.00 1.69 1.63 0.00 1.66 0.00 0.00 2.27 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.32 7.81 *35 T 7.98 4.04 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 1.19 0.00 0.00 36 M 8.41 4.55 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 37 N 8.47 4.68 0.00 2.78 2.70 0.00 0.00 6.95 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.24 4.14 0.00 1.70 1.79 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 M 8.46 4.32 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 40 N 8.69 5.50 0.00 2.79 2.68 0.00 0.00 6.92 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 9.38 5.22 0.00 3.24 3.06 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 42 E 9.10 5.12 0.00 1.89 1.87 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 2.25 2.27 0.00 43 C 9.25 5.62 0.00 2.82 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 44 A 9.09 5.22 1.26 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 0.00 0.00 45 I 9.56 4.56 2.13 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.19 1.09 0.00 0.00 46 P 0.00 4.94 0.00 1.86 1.93 0.00 2.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.87 0.00 47 G 9.17 4.15 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 0.00 48 K 8.76 4.32 0.00 1.91 1.77 0.00 1.69 0.00 0.00 1.98 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.57 7.81 49 K 8.53 4.14 0.00 1.95 1.87 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 50 G 9.12 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 51 T 7.48 4.77 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 52 P 0.00 4.43 0.00 1.98 2.10 0.00 4.11 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 53 W 8.30 4.62 0.00 3.41 3.42 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 54 E 8.31 4.26 0.00 2.21 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 0.00 2.40 2.36 0.00 55 G 9.31 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 56 G 8.01 3.68 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 57 L 7.95 4.93 0.00 1.54 1.46 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 58 F 9.55 4.74 0.00 3.03 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 59 K 8.72 5.04 0.00 2.01 1.79 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.52 7.81 60 L 8.79 5.25 0.00 1.46 1.46 1.05 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.85 4.88 0.00 1.81 1.70 0.00 3.05 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.75 0.00 62 M 9.00 4.09 0.00 1.71 1.75 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.69 0.00 63 L 8.13 4.76 0.00 1.46 1.47 0.84 0.79 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 64 F 8.96 4.69 0.00 2.75 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 65 K 8.29 4.77 0.00 1.78 1.66 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.32 7.81 66 D 8.82 4.39 0.00 2.79 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 67 D 8.03 4.74 0.00 2.95 2.96 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 68 Y 7.95 4.59 0.00 2.99 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 69 P 0.00 3.99 0.00 2.09 1.48 0.00 3.33 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.49 0.00 70 S 8.18 4.30 0.00 4.08 4.08 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 0.00 0.00 0.00 71 S 7.82 4.82 0.00 3.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 2.97 0.00 1.52 1.05 0.00 3.34 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.62 0.00 73 P 0.00 3.98 0.00 1.36 0.68 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 74 K 8.50 4.15 0.00 1.56 1.49 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.69 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.42 7.81 75 C 8.27 4.88 0.00 2.64 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 76 K 8.35 4.89 0.00 1.58 1.65 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.47 7.81 77 F 8.79 4.93 0.00 2.97 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 78 E 9.38 4.66 0.00 1.81 1.93 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 2.27 2.28 0.00 79 P 0.00 4.67 0.00 2.22 2.14 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 80 P 0.00 4.51 0.00 2.28 2.27 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 81 L 8.23 4.34 0.00 1.43 1.58 -0.37 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.49 4.57 0.00 3.01 3.15 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 83 H 8.04 4.54 0.00 3.30 3.05 0.00 5.74 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.15 0.00 1.99 1.99 0.00 3.18 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 85 N 8.25 4.78 0.00 2.81 2.89 0.00 0.00 6.55 7.68 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 86 V 7.64 4.70 2.15 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 1.07 0.00 0.00 1.09 0.00 0.00 87 Y 8.18 4.35 0.00 3.10 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 88 P 0.00 4.44 0.00 2.12 2.20 0.00 3.91 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 89 S 8.13 4.22 0.00 3.98 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 90 G 8.48 4.17 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 0.00 91 T 7.83 4.26 4.46 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 0.00 0.00 0.00 1.30 0.00 0.00 92 V 8.55 4.36 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 0.68 0.00 0.00 0.59 0.00 0.00 93 C 8.70 4.53 0.00 2.89 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 94 L 8.28 4.33 0.00 1.62 1.41 0.89 0.95 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 95 S 9.01 4.16 0.00 3.97 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 96 I 7.84 4.01 2.02 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 1.45 0.96 0.94 0.00 0.00 97 L 7.95 4.54 0.00 1.75 1.61 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.25 4.52 0.00 2.20 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 2.20 2.18 0.00 99 E 9.15 4.07 0.00 1.88 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 2.37 2.59 0.00 100 D 8.05 4.96 0.00 2.82 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 0.00 101 K 8.75 4.41 0.00 1.86 1.43 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.38 7.81 102 D 9.35 4.69 0.00 2.81 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 0.00 103 W 8.05 4.71 0.00 3.47 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 0.00 104 R 7.27 4.18 0.00 1.44 1.43 0.00 3.05 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 1.42 1.59 0.00 105 P 0.00 4.12 0.00 1.84 2.06 0.00 3.43 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 106 A 7.36 3.97 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 0.00 107 I 6.81 3.68 1.31 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 1.17 0.22 1.05 0.00 0.00 108 T 9.18 4.62 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 1.29 0.00 0.00 109 I 8.35 3.63 1.71 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.34 0.42 0.00 0.00 110 K 8.31 4.08 0.00 2.14 1.95 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.57 7.81 111 Q 8.10 3.99 0.00 2.46 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 112 I 7.94 3.70 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.02 0.84 0.00 0.00 113 L 8.36 4.03 0.00 1.78 1.90 0.79 0.66 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 0.00 114 L 8.52 4.08 0.00 1.81 1.68 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.66 3.73 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 0.00 0.00 0.00 116 I 7.85 3.77 2.03 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.93 0.00 0.00 117 Q 8.04 4.07 0.00 2.59 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 118 E 8.05 3.95 0.00 2.13 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 2.36 0.00 119 L 7.59 4.03 0.00 1.77 1.75 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.15 3.13 0.00 1.13 0.13 -0.13 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.49 4.92 0.00 2.66 2.82 0.00 0.00 6.74 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 0.00 122 E 7.29 4.73 0.00 2.12 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 0.00 2.26 2.37 0.00 123 P 0.00 4.15 0.00 1.58 1.67 0.00 3.72 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 2.03 2.12 0.00 124 N 9.35 4.59 0.00 2.68 2.72 0.00 0.00 7.25 8.00 0.00 0.00 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 I 7.85 3.86 1.86 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 1.12 0.00 0.00 126 Q 7.73 4.12 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.35 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 127 D 7.47 4.70 0.00 2.48 2.42 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 0.00 128 P 0.00 4.15 0.00 1.27 1.09 0.00 3.33 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 129 A 8.81 3.98 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 7.47 4.43 0.00 2.32 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.36 0.00 131 A 8.75 4.11 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 0.00 132 E 8.52 3.94 0.00 2.18 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 0.00 2.86 2.60 0.00 133 A 7.88 3.76 0.66 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 0.00 0.00 134 Y 7.79 4.00 0.00 2.94 3.19 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 0.00 135 T 8.40 3.63 4.46 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 0.00 0.00 0.00 1.23 0.00 0.00 136 I 8.09 3.76 2.25 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 1.53 1.02 1.21 0.00 0.00 137 Y 8.13 3.63 0.00 2.40 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 0.00 138 C 7.83 4.35 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 0.00 139 Q 7.67 4.53 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.23 0.00 140 N 8.24 4.79 0.00 2.68 2.70 0.00 0.00 6.72 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 0.00 141 R 8.05 3.77 0.00 1.67 1.79 0.00 2.54 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 142 V 7.77 3.58 2.23 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 1.04 0.00 0.00 0.92 0.00 0.00 143 E 8.28 3.92 0.00 2.18 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 2.46 0.00 144 Y 7.87 4.18 0.00 3.26 3.15 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 0.00 145 E 8.52 3.93 0.00 2.07 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 0.00 2.50 2.71 0.00 146 K 8.22 3.88 0.00 1.87 1.93 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.42 7.81 147 R 7.80 3.70 0.00 1.57 1.15 0.00 3.06 0.00 0.00 2.61 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.80 0.00 148 V 7.38 3.08 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 0.09 0.00 0.00 0.45 0.00 0.00 149 R 7.81 3.72 0.00 1.93 1.88 0.00 3.34 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 1.64 1.73 0.00 150 A 7.68 3.86 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 0.00 151 Q 7.92 3.90 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.85 2.80 0.00 152 A 7.81 4.16 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 0.00 153 K 8.27 4.00 0.00 1.91 1.75 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.55 7.81 154 K 8.38 3.79 0.00 1.54 1.87 0.00 1.58 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.44 1.07 7.81 155 F 8.29 4.58 0.00 2.92 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 0.00 156 A 7.07 4.63 1.26 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 0.00 0.00 157 P 0.00 4.39 0.00 2.06 2.02 0.00 3.80 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 2.03 2.09 0.00 158 S 8.49 4.13 0.00 4.02 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 * Residues marked with a * may have inaccurate shift predictions.