NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4533 8.2893 120.3271 55.3360 33.6853 174.9246 2 S 4.6228 7.9071 112.2112 55.9381 65.2561 172.3074 3 L 4.2751 8.9654 123.1015 53.7315 43.3735 176.6252 4 P 4.4811 0.0000 0.0000 62.2218 31.9672 176.0002 5 D 4.6347 8.6381 120.8589 56.5011 41.2487 177.2111 6 G 4.0183 9.3488 111.5022 44.6915 0.0000 172.6131 7 F 5.4684 8.0400 117.9828 55.8207 41.5996 174.4353 8 Y 5.0883 8.7419 119.7085 55.4073 41.9615 173.6042 9 I 5.0368 8.4411 119.6492 59.4829 41.0249 174.2532 10 R 4.7725 8.5362 123.1611 54.7506 33.3461 173.9749 11 R 4.5284 8.5330 120.3591 56.4031 30.7043 175.8241 12 M 4.4855 8.9814 126.4558 55.9717 33.0649 175.1412 13 E 4.8635 10.0386 124.0444 53.9736 33.0711 176.6184 14 E 3.9396 8.9760 121.0504 59.6505 29.5712 178.9915 15 G 3.8477 8.0987 104.5975 47.2690 0.0000 173.8690 16 D 4.6618 8.4863 120.0254 54.2309 40.9524 177.4523 17 L 2.9069 7.4977 122.8221 58.1728 41.9046 178.6484 18 E 3.8236 7.9225 118.1725 59.4361 29.6807 178.6618 19 Q 3.9861 7.9057 117.6348 58.8174 28.8170 178.6387 20 V 3.6221 8.1364 120.0643 66.1023 31.6866 178.2495 21 T 3.8664 7.8432 109.6482 64.8269 68.3627 176.4164 22 E 3.9671 7.8944 120.5654 59.3853 29.8711 179.2489 23 T 4.3622 7.8757 117.1020 66.1963 68.5539 177.0194 24 L 4.1110 8.3919 121.1023 57.4226 41.3628 179.5583 25 K 4.3668 7.7301 118.8192 58.3428 31.9987 178.6220 26 V 3.8208 7.5185 116.4940 63.9926 31.5749 176.8237 27 L 4.3521 7.7830 119.3732 58.3972 42.9632 175.1760 28 T 4.3421 7.2899 110.0480 61.8596 69.9755 171.3266 29 T 4.1014 8.5406 118.0499 63.9965 69.0709 173.3317 30 V 4.0833 8.5463 124.2834 64.3521 33.7764 176.5621 31 G 3.7737 7.9239 106.0766 45.1755 0.0000 171.7869 32 T 4.2626 8.3126 117.3772 62.7041 69.1205 174.2873 33 I 4.5295 8.0466 126.9368 58.9809 40.5910 175.9568 34 T 4.3482 8.2614 115.9159 60.4039 71.3290 173.9443 35 P 4.3077 0.0000 0.0000 65.6600 31.2194 178.8778 36 E 3.9633 8.1156 116.9771 59.6863 29.4244 179.4881 37 S 4.1101 8.2452 115.1777 61.4944 62.8230 176.5157 38 F 4.0674 8.4218 123.4899 61.2706 39.1131 176.5328 39 C 4.0800 8.3707 120.0768 61.8550 31.3124 175.9024 40 K 3.9152 7.6685 119.7872 59.1305 31.5188 179.1263 41 L 3.6207 7.7423 120.7525 58.1789 41.9183 179.0514 42 I 3.3851 7.3370 120.0303 64.0985 36.8387 178.3879 43 K 3.9081 7.8737 120.4021 59.4449 31.9480 178.1805 44 Y 4.2039 7.9804 119.7454 60.8227 38.5666 178.2365 45 W 3.8306 7.9861 118.4502 59.4570 29.1826 177.5340 46 N 4.6689 8.2016 114.2989 54.2381 38.3426 175.4532 47 E 4.4510 7.6086 118.2412 56.7401 31.8964 176.4326 48 A 4.3052 8.2401 122.4615 52.3888 19.0900 176.9073 49 T 5.0241 8.5412 112.3670 59.8571 72.1650 173.4087 50 V 4.2231 8.5143 123.7153 60.8119 32.7132 175.5363 51 W 4.3420 9.0394 135.0000 58.2129 30.8369 174.4874 52 N 4.0902 8.1811 122.7586 51.9414 41.5845 174.3592 53 D 4.4200 7.4779 127.9830 52.7230 40.3305 177.0023 *57 K 3.9396 7.5492 119.2442 56.0429 32.8153 174.3168 58 K 4.1518 8.5587 128.1044 55.6654 33.0791 175.6813 59 I 3.8140 8.0131 127.0798 59.7044 38.8161 174.6037 60 M 4.5418 8.1006 127.8059 54.8157 32.1454 176.7970 61 Q 3.8964 8.9513 125.5382 58.5372 30.3546 175.4474 62 Y 4.5795 7.7670 114.8376 55.7818 40.3843 176.4450 63 N 5.1190 8.6535 119.4061 51.1792 39.6176 171.4646 64 P 4.5631 0.0000 0.0000 62.9202 33.1839 176.8003 65 M 5.2921 9.2030 124.3797 53.4206 35.8522 175.1920 66 V 4.8047 8.8497 114.2216 59.7300 36.1118 174.5614 67 I 4.6937 8.5857 125.3593 59.7613 39.3035 174.7690 68 V 4.5332 8.2354 126.9024 60.9332 34.6385 174.0818 69 D 3.7820 8.7095 128.3050 52.6442 40.8280 176.5638 70 K 3.9712 8.5858 129.0285 59.3684 32.6368 178.0008 71 R 3.9965 8.1964 118.1883 59.2352 29.7830 176.9084 72 T 4.4026 7.7844 103.2342 60.4533 69.3571 173.5719 73 E 3.8088 7.6750 120.0133 58.0561 27.8499 174.3052 74 T 4.7575 7.5034 113.3260 61.8993 71.2839 174.7347 75 V 4.0294 8.9625 126.5833 62.8189 31.4377 175.6585 76 A 3.8450 9.0226 130.6253 53.8407 20.0041 176.3932 77 A 4.8788 7.4728 114.3843 51.8398 22.7126 175.1991 78 T 5.0183 8.7015 113.1097 61.1552 71.4936 172.7561 79 G 4.5250 8.5267 111.3486 45.6912 0.0000 171.4247 80 N 5.5318 8.9405 118.0424 51.9302 43.2679 172.8911 81 I 4.9144 7.8177 121.5761 59.4080 40.9484 174.1910 82 I 4.3921 8.7806 130.7140 59.6926 39.2726 174.5532 83 I 4.7407 8.3031 128.3553 59.6720 38.7407 174.7646 84 E 4.6607 9.1781 127.8502 54.3065 32.5468 174.2557 85 R 4.9857 8.6758 126.7810 55.1743 31.9635 175.1068 86 K 4.7797 9.0660 125.2539 55.1134 35.8430 176.3750 87 I 4.0641 8.2982 119.4350 63.1934 38.3992 176.8024 88 I 4.0070 7.5298 112.6349 61.6574 38.0657 174.6113 89 H 3.7997 8.7948 114.6799 57.5193 26.3456 175.0697 90 E 3.6442 8.7617 112.9100 58.0964 26.8161 175.0597 91 L 4.4967 7.7340 112.9782 54.9401 40.3536 175.8205 92 G 3.9919 8.1706 105.0993 46.4294 0.0000 173.1334 93 L 5.3858 8.6928 119.9607 52.9264 44.5194 175.0908 94 C 4.9523 9.2514 123.8617 57.4413 34.5259 172.8297 95 G 4.2700 8.6371 113.2270 45.3082 0.0000 172.4203 96 H 5.2215 9.0685 120.2399 53.6987 31.6464 172.8852 97 I 4.5601 8.5126 125.6233 60.9075 37.8730 175.6996 98 E 4.6106 8.9997 125.3082 54.5031 34.3332 174.6035 99 D 4.6895 8.3931 118.2223 55.6304 38.3673 173.9979 100 I 4.4804 7.5404 117.9412 61.0437 38.7318 177.4383 101 A 4.5771 9.0769 128.3391 50.6720 22.8411 174.8351 102 V 4.6907 8.2074 122.6369 60.6638 33.6824 175.2851 103 N 4.4888 9.1425 125.9417 53.3147 39.5012 175.6344 104 S 4.2525 9.0509 117.1605 61.6654 62.3458 176.8489 105 K 3.8711 8.0995 116.9789 58.8339 31.7626 177.0687 106 Y 5.1127 7.8170 113.8776 56.9229 38.4342 175.8572 107 Q 4.1622 7.8477 119.7593 56.5096 29.5355 176.0285 108 G 3.8960 8.7245 106.0294 46.5009 0.0000 174.1801 109 Q 4.3942 8.0111 115.5823 55.0277 30.0700 177.0023 110 G 4.0179 8.2545 106.6788 45.8043 0.0000 175.5837 111 L 4.0777 7.7178 120.9436 57.1696 41.5624 179.3486 112 G 3.5812 7.9867 105.4514 47.6453 0.0000 175.4717 113 K 3.8868 8.2350 121.9902 59.2349 32.2697 178.6867 114 L 4.0542 7.9755 119.2679 57.4956 41.4923 179.2162 115 L 3.9365 8.2210 120.5666 58.3473 41.9981 179.1249 116 I 3.7843 8.0453 119.8150 64.5474 37.0530 178.1027 117 D 4.3614 8.6044 120.1384 57.5097 40.6372 178.7505 118 Q 3.9756 8.3110 120.0777 59.0001 28.9818 178.2226 119 L 3.9383 8.0616 120.1921 57.6968 41.6110 179.5397 120 V 3.2872 8.0524 118.5314 66.2488 31.3280 178.2290 121 T 3.8886 7.9190 115.4105 66.5256 68.3621 176.7266 122 I 3.5195 7.7544 121.9181 64.1390 37.1313 178.7236 123 G 3.5985 8.0375 106.5299 47.9965 0.0000 175.8443 124 F 4.6746 8.3395 121.1273 60.3659 38.6508 177.5920 125 D 4.4140 8.3357 118.2190 57.3802 40.6448 177.9354 126 Y 4.6439 7.6333 115.5635 59.0824 37.9469 176.6042 127 G 4.1612 8.0166 108.1835 45.2452 0.0000 173.5626 128 C 4.4721 8.0382 117.7068 60.0419 28.4224 173.7897 129 Y 4.4089 8.5846 122.3677 58.6079 38.5330 175.3020 130 K 4.6089 6.7219 118.2284 55.8249 35.9802 174.6068 131 I 5.0394 8.0811 121.4001 59.5610 40.4838 174.6479 132 I 4.9225 8.4901 119.7930 59.3155 41.3039 173.8352 133 L 4.6323 7.9896 120.5109 55.3102 42.7767 173.7277 134 D 4.8980 8.4927 119.5075 52.5628 43.3112 175.4128 135 C 4.8736 8.0516 116.5521 56.1368 33.1772 173.2706 136 D 4.6046 8.3501 119.4247 53.7092 41.4745 177.2663 137 E 3.9575 8.9362 122.4297 59.4932 29.2769 179.1014 138 K 4.2623 8.0555 116.2411 58.5442 33.3002 177.4704 139 N 4.8548 8.2654 117.5365 53.1037 39.0046 176.4516 140 V 3.7781 7.6654 121.6089 66.2595 31.5963 177.9129 141 K 4.1239 8.1682 117.5256 59.4904 31.7576 178.8649 142 F 4.0608 8.1919 120.3557 61.6007 39.3789 176.7166 143 Y 3.5923 7.9084 115.9171 60.7972 37.6097 178.1577 144 E 4.8246 8.5241 121.3555 58.8952 29.3628 179.2336 145 K 4.1297 7.7334 116.9063 58.3645 32.2111 178.0403 146 C 4.3874 7.1935 115.7717 59.4693 28.5047 174.1954 147 G 3.9946 8.0549 109.2729 45.0912 0.0000 173.9313 148 F 4.4851 8.6090 119.0375 56.3956 40.2029 174.8874 149 S 4.9377 8.1817 115.9187 55.9937 65.8407 173.3892 150 N 4.3370 8.8972 120.5815 54.1041 38.7905 174.3475 151 A 4.6528 9.0067 127.1148 50.9958 20.9835 175.5696 152 G 3.8995 6.9040 101.1156 45.7889 0.0000 171.3259 153 V 4.3054 8.0809 118.5194 60.7696 33.4725 175.1395 154 E 4.3359 8.6948 127.8944 55.4931 30.3762 175.0467 155 M 4.7900 8.5195 125.5780 53.4707 34.6156 174.9712 156 Q 4.6782 8.3372 119.1854 54.3646 32.0718 174.2688 157 I 4.5640 8.0923 117.7486 59.4291 40.8923 174.4194 158 R 4.6693 8.3281 126.0412 53.7899 32.4889 175.9322 159 K 4.0947 8.6093 120.9174 56.8964 32.1247 176.4962 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 8.29 4.45 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 S 7.91 4.62 0.00 4.07 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 3 L 8.97 4.28 0.00 1.75 1.74 1.03 1.01 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 4 P 0.00 4.48 0.00 2.30 1.99 0.00 3.51 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 5 D 8.64 4.63 0.00 2.74 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 6 G 9.35 4.02 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 7 F 8.04 5.47 0.00 3.06 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 8 Y 8.74 5.09 0.00 3.09 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 9 I 8.44 5.04 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 1.40 1.11 0.99 0.00 0.00 10 R 8.54 4.77 0.00 2.03 2.23 0.00 3.09 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 11 R 8.53 4.53 0.00 1.89 1.92 0.00 3.29 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 12 M 8.98 4.49 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.77 0.00 13 E 10.04 4.86 0.00 2.06 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 2.26 2.46 0.00 14 E 8.98 3.94 0.00 1.97 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 2.46 2.45 0.00 15 G 8.10 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 16 D 8.49 4.66 0.00 3.00 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 17 L 7.50 2.91 0.00 1.09 1.47 -0.09 0.61 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 18 E 7.92 3.82 0.00 1.97 1.88 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 2.33 2.31 0.00 19 Q 7.91 3.99 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 20 V 8.14 3.62 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 1.20 0.00 0.00 1.05 0.00 0.00 21 T 7.84 3.87 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 1.07 0.00 0.00 22 E 7.89 3.97 0.00 2.21 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 0.00 2.32 2.60 0.00 23 T 7.88 4.36 4.38 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 1.22 0.00 0.00 24 L 8.39 4.11 0.00 1.67 1.75 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.73 4.37 0.00 1.94 1.88 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.46 7.81 26 V 7.52 3.82 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 0.79 0.00 0.00 0.94 0.00 0.00 27 L 7.78 4.35 0.00 1.63 1.90 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.29 4.34 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 1.24 0.00 0.00 29 T 8.54 4.10 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 1.22 0.00 0.00 30 V 8.55 4.08 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 0.80 0.00 0.00 1.04 0.00 0.00 31 G 7.92 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 32 T 8.31 4.26 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 33 I 8.05 4.53 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 0.92 0.00 0.00 34 T 8.26 4.35 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 1.20 0.00 0.00 35 P 0.00 4.31 0.00 2.19 2.16 0.00 3.60 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 2.11 2.16 0.00 36 E 8.12 3.96 0.00 2.05 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 2.40 2.47 0.00 37 S 8.25 4.11 0.00 3.88 3.89 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 38 F 8.42 4.07 0.00 3.11 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 39 C 8.37 4.08 0.00 3.31 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 40 K 7.67 3.92 0.00 1.91 1.76 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.57 7.81 41 L 7.74 3.62 0.00 1.37 1.16 0.33 0.14 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 42 I 7.34 3.39 1.57 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.09 0.84 0.00 0.00 43 K 7.87 3.91 0.00 1.82 1.95 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.51 7.81 44 Y 7.98 4.20 0.00 2.99 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 45 W 7.99 3.83 0.00 3.30 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 46 N 8.20 4.67 0.00 2.80 2.89 0.00 0.00 6.87 7.26 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 47 E 7.61 4.45 0.00 2.10 2.03 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 2.28 2.25 0.00 48 A 8.24 4.31 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 49 T 8.54 5.02 4.30 0.00 0.00 0.00 0.00 0.00 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 50 V 8.51 4.22 1.92 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 0.72 0.00 0.00 0.83 0.00 0.00 51 W 9.04 4.34 0.00 3.24 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 52 N 8.18 4.09 0.00 2.56 2.43 0.00 0.00 6.99 8.47 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 53 D 7.48 4.42 0.00 2.43 2.46 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 0.00 *57 K 7.55 3.94 0.00 1.78 1.95 0.00 1.84 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.48 7.81 58 K 8.56 4.15 0.00 1.77 1.73 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.45 7.81 59 I 8.01 3.81 1.74 0.00 0.00 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 1.06 0.29 -0.02 0.00 0.00 60 M 8.10 4.54 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.73 0.00 61 Q 8.95 3.90 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 1.39 2.12 0.00 62 Y 7.77 4.58 0.00 2.40 1.92 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 63 N 8.65 5.12 0.00 2.74 2.68 0.00 0.00 6.63 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.56 0.00 2.28 1.71 0.00 3.58 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 65 M 9.20 5.29 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.80 0.00 66 V 8.85 4.80 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 0.97 0.00 0.00 67 I 8.59 4.69 1.80 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 1.08 0.57 0.94 0.00 0.00 68 V 8.24 4.53 1.05 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 0.87 0.00 0.00 0.67 0.00 0.00 69 D 8.71 3.78 0.00 2.47 2.51 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 0.00 70 K 8.59 3.97 0.00 1.89 1.93 0.00 1.95 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.43 7.81 71 R 8.20 4.00 0.00 1.74 2.05 0.00 3.25 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 72 T 7.78 4.40 4.27 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 0.00 0.00 1.23 0.00 0.00 73 E 7.68 3.81 0.00 2.16 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 2.27 2.42 0.00 74 T 7.50 4.76 4.29 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 1.36 0.00 0.00 75 V 8.96 4.03 2.04 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 0.69 0.00 0.00 0.90 0.00 0.00 76 A 9.02 3.85 0.60 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 77 A 7.47 4.88 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.70 5.02 4.27 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 0.00 0.00 1.25 0.00 0.00 79 G 8.53 4.53 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 0.00 80 N 8.94 5.53 0.00 2.66 2.52 0.00 0.00 6.96 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 81 I 7.82 4.91 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.15 0.89 0.00 0.00 82 I 8.78 4.39 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.11 0.50 0.00 0.00 83 I 8.30 4.74 1.66 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.66 0.78 0.00 0.00 84 E 9.18 4.66 0.00 1.99 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 2.24 2.23 0.00 85 R 8.68 4.99 0.00 1.95 1.94 0.00 3.72 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 86 K 9.07 4.78 0.00 1.93 1.79 0.00 2.00 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.50 7.81 87 I 8.30 4.06 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 0.92 0.00 0.00 88 I 7.53 4.01 1.79 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.91 0.00 0.00 89 H 8.79 3.80 0.00 2.66 2.91 0.00 6.05 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 90 E 8.76 3.64 0.00 2.07 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 2.19 2.26 0.00 91 L 7.73 4.50 0.00 1.87 1.91 1.23 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.17 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 93 L 8.69 5.39 0.00 1.67 1.60 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 94 C 9.25 4.95 0.00 2.87 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 95 G 8.64 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 96 H 9.07 5.22 0.00 2.94 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.51 4.56 1.78 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.46 0.88 0.00 0.00 98 E 9.00 4.61 0.00 1.80 1.79 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 2.34 2.42 0.00 99 D 8.39 4.69 0.00 2.89 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 0.00 100 I 7.54 4.48 1.96 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 1.33 0.91 0.94 0.00 0.00 101 A 9.08 4.58 1.20 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 0.00 0.00 102 V 8.21 4.69 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 0.92 0.00 0.00 0.84 0.00 0.00 103 N 9.14 4.49 0.00 3.14 2.89 0.00 0.00 6.20 8.71 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 0.00 104 S 9.05 4.25 0.00 3.84 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 0.00 105 K 8.10 3.87 0.00 1.53 1.45 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.33 7.81 106 Y 7.82 5.11 0.00 3.07 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 0.00 107 Q 7.85 4.16 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.29 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 108 G 8.72 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 0.00 109 Q 8.01 4.39 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.59 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 110 G 8.25 4.02 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 0.00 111 L 7.72 4.08 0.00 1.61 1.61 0.63 0.45 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 0.00 112 G 7.99 3.58 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 0.00 0.00 0.00 113 K 8.24 3.89 0.00 1.82 1.83 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.61 1.40 7.81 114 L 7.98 4.05 0.00 1.72 1.69 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.22 3.94 0.00 1.81 1.95 0.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.05 3.78 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.90 1.05 0.00 0.00 117 D 8.60 4.36 0.00 2.80 2.72 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 0.00 118 Q 8.31 3.98 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 119 L 8.06 3.94 0.00 1.88 1.67 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 120 V 8.05 3.29 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 0.49 0.00 0.00 0.98 0.00 0.00 121 T 7.92 3.89 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 122 I 7.75 3.52 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.05 0.68 0.00 0.00 123 G 8.04 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 0.00 124 F 8.34 4.67 0.00 3.01 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 0.00 125 D 8.34 4.41 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.63 4.64 0.00 3.21 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.02 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 0.00 0.00 0.00 0.00 128 C 8.04 4.47 0.00 3.23 3.07 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 0.00 129 Y 8.58 4.41 0.00 3.02 3.05 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 0.00 130 K 6.72 4.61 0.00 1.62 1.51 0.00 1.33 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 1.08 7.81 131 I 8.08 5.04 1.62 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.46 0.96 0.00 0.00 132 I 8.49 4.92 1.84 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 1.24 0.78 0.85 0.00 0.00 133 L 7.99 4.63 0.00 1.31 1.49 -0.29 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.49 4.90 0.00 2.60 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 0.00 135 C 8.05 4.87 0.00 3.11 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 0.00 136 D 8.35 4.60 0.00 2.76 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 0.00 137 E 8.94 3.96 0.00 2.09 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 2.40 2.47 0.00 138 K 8.06 4.26 0.00 1.96 1.94 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.54 7.81 139 N 8.27 4.85 0.00 3.03 3.06 0.00 0.00 6.48 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 0.00 140 V 7.67 3.78 2.25 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 1.19 0.00 0.00 1.03 0.00 0.00 141 K 8.17 4.12 0.00 1.89 1.89 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.54 7.81 142 F 8.19 4.06 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 0.00 143 Y 7.91 3.59 0.00 3.29 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 0.00 144 E 8.52 4.82 0.00 2.16 2.03 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 2.53 2.49 0.00 145 K 7.73 4.13 0.00 1.74 1.77 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.57 7.81 146 C 7.19 4.39 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 0.00 147 G 8.05 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 0.00 148 F 8.61 4.49 0.00 3.37 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 0.00 149 S 8.18 4.94 0.00 3.94 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 0.00 150 N 8.90 4.34 0.00 2.74 2.81 0.00 0.00 6.77 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 0.00 151 A 9.01 4.65 1.28 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 0.00 0.00 0.00 152 G 6.90 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 0.00 153 V 8.08 4.31 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 0.84 0.00 0.00 0.94 0.00 0.00 154 E 8.69 4.34 0.00 2.11 1.83 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 2.26 2.43 0.00 155 M 8.52 4.79 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 156 Q 8.34 4.68 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 157 I 8.09 4.56 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 0.92 0.00 0.00 158 R 8.33 4.67 0.00 1.82 1.81 0.00 3.49 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 159 K 8.61 4.09 0.00 1.72 1.70 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.