NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2746 8.1927 115.4125 58.0442 64.2888 172.7338 3 V 3.7303 8.2561 123.1886 62.1721 30.8653 173.6255 4 Q 4.6269 9.1124 126.9332 55.6024 32.4760 175.2959 5 V 4.8606 7.9211 119.2648 60.8564 34.8776 174.1782 6 G 4.6975 8.9660 115.1409 44.0837 0.0000 172.4096 7 V 4.9935 9.2053 127.3259 61.3871 33.5669 174.5295 8 I 5.7707 8.1061 121.6604 58.1239 40.7967 175.9720 *10 G 4.1256 8.6888 107.6509 46.6587 0.0000 173.2975 11 S 4.7968 8.2217 112.4247 55.5311 66.2717 175.3482 12 K 3.9759 8.6969 120.9573 59.4681 31.4760 179.3950 13 S 4.3665 7.5164 113.0602 60.6137 63.2875 175.3303 14 D 4.6190 8.2929 122.1930 55.2518 40.5417 177.9208 15 W 4.5557 8.1721 129.8874 60.4083 30.8108 177.6342 16 S 4.0815 8.1893 112.9059 60.9488 62.5303 174.6762 17 T 4.2206 7.4444 118.3845 63.5667 68.4646 176.2971 *19 K 2.9845 7.9534 125.0202 55.8649 33.5708 177.6362 20 E 3.8356 7.5725 117.9705 58.8505 29.2261 178.6383 21 C 4.0586 7.7390 118.4876 62.7456 31.6981 175.3297 22 C 3.5423 7.6100 117.7254 62.5332 27.6547 175.4779 23 D 4.3714 8.0921 120.6796 57.5573 40.3575 179.1426 24 I 3.6553 7.3272 119.7626 64.2445 37.0348 178.3512 25 L 3.8826 7.6421 119.8270 57.9067 41.5320 179.2746 26 D 4.5052 8.4714 119.0409 57.7573 40.6181 178.8188 27 N 4.4526 8.1396 115.5508 55.8138 38.6141 176.5509 28 L 4.4458 8.0038 117.9189 53.9638 42.0539 176.9024 29 G 3.8646 7.7635 106.6916 46.5675 0.0000 173.3551 30 I 4.3932 7.8894 120.7973 59.0706 38.7340 176.2747 31 G 4.3124 8.9753 114.9396 45.9890 0.0000 171.9165 32 Y 5.6615 8.1060 121.5025 55.5510 41.7247 173.5634 33 E 4.9556 9.3540 117.3848 54.5652 33.2091 174.5015 34 C 6.0034 8.5149 114.8030 55.7216 32.6908 172.7117 35 E 4.6271 8.4444 121.0783 54.9062 33.0656 173.5287 36 V 4.1982 8.1944 125.9409 62.1878 32.5341 175.4480 37 V 4.2180 8.1275 127.1654 61.4555 34.6979 173.6100 38 S 4.6156 8.7263 123.7654 56.5762 63.2156 174.9427 39 A 4.0469 8.6165 130.9614 55.0605 18.5303 177.7608 40 H 4.6876 7.9859 111.4157 57.5667 29.7087 176.5408 41 R 4.2865 8.3341 117.5543 57.4279 31.4239 176.6799 42 T 4.7266 7.8377 107.5621 59.6625 68.4816 173.1855 43 P 4.3153 0.0000 0.0000 66.5432 32.4044 178.2704 44 D 4.3845 8.0619 118.6540 57.0417 41.0858 178.9191 45 K 4.3570 7.6385 117.2839 56.8576 31.6506 178.4237 *47 F 4.7718 8.2119 117.7586 57.2110 41.0845 177.0258 48 D 4.5855 8.5513 120.8541 56.9374 40.8662 177.3713 49 Y 3.9044 8.5546 120.2954 60.7517 38.8854 178.1947 50 A 4.0712 8.1304 120.8076 55.3654 18.1415 179.0843 51 E 4.0100 8.3762 117.5533 59.4060 29.6294 178.9009 52 T 4.7469 7.9590 108.2803 60.9445 69.3301 176.3969 53 A 3.7142 7.5773 124.7930 55.3702 18.4490 179.7355 54 K 4.0528 7.8946 117.8743 59.5349 32.2813 178.5762 55 E 4.0658 8.0502 116.2844 58.5721 29.9868 178.0058 56 R 4.1307 7.8301 117.2202 56.6715 30.2338 177.2062 57 G 3.9672 8.0484 106.9390 44.9448 0.0000 174.0660 58 L 4.2606 7.4503 119.3806 54.6381 42.1733 176.8430 59 K 4.5951 8.8262 120.5643 56.7623 34.8811 176.8302 60 V 4.7277 7.6768 118.3148 61.1726 35.5525 173.8046 61 I 5.1344 8.6693 127.2165 59.6194 40.2124 174.3890 62 I 4.9648 8.9480 127.8089 59.5147 39.5388 174.3646 63 A 5.1590 9.4799 129.5701 49.9727 21.5986 174.9069 64 G 4.8704 8.6786 109.6514 44.0622 0.0000 172.4104 65 A 4.7072 8.3646 122.4554 50.8445 22.6969 175.2987 66 G 4.2574 8.6110 106.4397 44.0527 0.0000 176.0044 67 G 3.9150 8.5654 108.3003 45.9914 0.0000 176.8835 68 A 4.3312 8.5541 125.2567 51.5864 16.3746 175.9852 69 A 4.4291 8.0971 123.2620 51.7557 17.7437 176.7810 70 H 4.7952 8.2911 118.0645 56.7548 30.2207 177.6109 71 L 3.8505 8.1719 121.1251 57.7295 42.2531 176.3277 72 P 4.4180 0.0000 0.0000 65.6841 31.6350 179.2494 73 G 3.8783 7.6387 104.2605 46.2176 0.0000 175.3543 *75 V 3.9436 7.9632 121.2158 62.4801 33.1075 177.4532 76 A 3.9962 8.1122 121.0968 55.0146 18.2888 178.6012 77 A 4.1006 7.8735 117.7998 54.1964 18.4839 178.2030 78 K 4.3481 7.7762 112.7829 56.1440 33.1655 175.8305 79 T 4.6558 7.3945 112.5792 60.3724 70.3510 173.5793 80 T 4.2162 8.3767 115.4348 62.5252 69.6178 175.2150 81 L 4.2078 7.5951 122.9427 53.7295 42.4546 174.9236 82 P 4.4463 0.0000 0.0000 63.1784 32.6543 174.9859 83 V 4.9698 8.5312 123.1150 61.0790 34.4289 173.7216 84 L 5.2542 9.2131 128.2297 53.0790 44.3446 175.4239 85 G 4.3915 9.6976 111.7181 44.4148 0.0000 172.3029 86 V 4.5507 8.7878 125.5854 60.4476 34.0340 172.8250 87 P 4.8847 0.0000 0.0000 62.1623 32.3038 175.8641 88 V 4.1423 8.4271 126.0139 61.7616 32.5300 175.7365 89 K 4.0588 8.6395 128.9499 56.2389 32.0925 176.4700 90 S 4.4901 8.5244 121.9810 57.4842 64.2333 175.4143 91 S 4.1113 8.7351 117.8652 61.8448 62.9974 175.9425 92 T 4.0419 7.9789 109.8985 63.9308 69.1671 175.5195 93 L 4.5744 7.8062 120.5114 52.9481 42.0789 176.2606 94 N 4.3465 8.8943 114.0015 54.4216 36.6649 175.5281 95 G 3.9802 8.5033 104.5822 46.2379 0.0000 176.4206 96 Q 3.9802 8.2636 120.6964 58.6414 28.4629 178.3057 97 D 4.3424 8.0128 119.7289 56.6876 39.0060 178.5058 98 S 4.4162 8.0325 117.9228 60.3843 62.8262 176.4199 99 L 3.9635 8.1281 122.9404 58.2934 42.0139 179.0955 100 L 4.0917 7.8368 118.5286 57.8190 41.3228 179.6473 101 S 4.2371 8.1184 114.2398 60.6879 62.7111 175.9503 102 I 4.2069 7.0033 120.6637 63.3902 37.9091 178.1591 103 V 3.8729 7.8644 120.0757 62.6890 31.6771 176.5744 104 Q 4.0652 7.3187 118.3514 54.5503 29.2265 173.6339 *106 P 4.1233 0.0000 0.0000 61.5466 32.6718 175.6361 107 A 4.1189 8.4797 122.4782 52.5958 18.5335 176.3688 108 G 3.4535 8.1323 115.2261 45.3064 0.0000 173.5413 109 I 4.4041 7.0128 121.0274 58.6407 38.7312 172.9202 110 P 4.6044 0.0000 0.0000 61.7131 32.5850 175.9157 111 V 4.5244 7.9632 119.0690 60.8914 34.1932 174.6482 112 A 3.9683 8.7120 130.5241 52.3004 19.1217 176.0432 113 T 4.8769 8.0404 119.1685 62.1588 71.4681 173.9149 114 F 4.7837 8.3010 122.7320 54.9153 42.8432 174.8655 115 A 4.1878 8.6107 121.6225 52.1193 18.7530 177.1117 116 I 4.1050 8.0690 121.0555 62.5476 37.4428 174.7937 117 G 3.6163 8.6621 116.9159 46.2668 0.0000 175.1712 *119 A 4.2500 7.9383 119.4390 51.3680 21.3603 179.6228 120 G 4.1824 8.2687 103.1471 47.1707 0.0000 175.5873 121 A 3.9068 8.0059 123.1486 54.9237 18.4236 179.7937 122 K 3.7581 7.8947 116.2927 59.8644 32.1386 179.2539 123 N 4.2729 8.2723 116.3729 55.9565 38.3012 177.3508 124 A 2.8458 7.9523 122.5118 54.6081 18.4036 179.4399 125 A 3.7718 7.4815 118.8729 55.4283 18.5100 179.9697 126 L 3.7595 7.6915 117.3652 57.6476 41.5682 179.5664 127 F 4.0117 8.3339 120.8068 60.8133 39.3101 177.0728 128 A 3.9744 8.2688 120.5495 55.2108 18.1995 179.3378 129 A 3.8994 7.9214 119.3766 55.4114 18.2126 180.0374 130 S 4.0532 7.5272 111.2235 61.0406 63.3535 176.6481 131 I 3.7484 7.3305 123.9556 64.3559 37.0664 178.2001 132 L 4.1405 8.0173 119.5836 57.0781 41.0404 179.2725 133 Q 4.0550 8.0992 117.8839 59.2740 28.0967 178.1611 134 H 4.3192 7.7432 119.3662 58.2325 29.8927 175.6706 135 T 4.3916 7.5176 107.3042 60.7979 69.2491 173.9439 136 D 4.5371 7.8548 120.2249 51.9651 43.5807 175.4554 137 I 3.6904 8.3090 128.9009 64.6797 37.2296 178.0614 138 N 4.3948 8.1890 116.6321 56.2774 38.3046 177.4435 139 I 3.6935 8.0067 120.8003 64.1848 37.1454 178.1396 140 A 3.9758 8.0069 121.6565 55.2246 18.1330 179.9129 141 K 3.9122 8.1798 116.5883 59.5572 32.1561 179.5249 142 A 4.0131 8.1655 121.1435 55.0603 18.3132 179.5055 143 L 3.9183 8.3212 118.9861 58.0850 42.1581 178.9007 144 A 4.0381 8.2139 120.9307 55.3081 18.2513 179.2738 145 E 3.9148 8.4849 117.8804 59.1666 29.6935 178.8169 146 F 3.9902 8.4585 120.8374 61.3619 39.4969 177.3826 147 R 4.0229 8.3906 117.4857 59.2461 29.7986 178.9053 148 A 3.9988 8.2003 120.6422 55.1144 18.2905 179.3538 149 E 3.8469 8.4195 118.3093 59.3712 29.2710 179.0627 150 Q 3.8906 7.9470 117.7843 59.3663 28.6102 178.6457 151 T 3.8829 7.8861 117.6542 66.5434 68.4518 176.7188 152 R 3.9130 8.2085 120.1746 59.2843 29.8717 178.7958 153 F 4.0868 8.1991 119.3863 61.3787 39.7251 177.0813 154 V 3.5438 7.5963 117.1846 65.9057 31.1246 178.0563 155 L 3.9942 7.7132 117.7881 57.4805 41.5302 178.6218 156 E 4.2365 8.1364 116.6058 56.8397 30.8919 176.1565 157 N 5.2056 7.2590 115.0833 51.4485 38.9549 173.0994 158 P 4.1733 0.0000 0.0000 64.7152 32.6473 176.4329 159 D 4.6278 8.1875 120.0189 51.8725 40.9215 174.9245 160 P 4.4412 0.0000 0.0000 64.6527 31.5314 177.2756 161 R 4.2162 8.2191 117.4068 56.7472 30.3951 176.6372 162 E 4.0193 7.7625 118.5236 57.3094 30.0587 176.8575 163 H 4.4327 8.2508 116.6401 56.0608 28.3892 173.1754 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 2 S 8.19 4.27 0.00 4.02 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 3 V 8.26 3.73 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 0.82 0.00 0.00 0.90 0.00 0.00 4 Q 9.11 4.63 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 5 V 7.92 4.86 2.19 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 1.09 0.00 0.00 0.96 0.00 0.00 6 G 8.97 4.70 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 0.00 0.00 0.00 7 V 9.21 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 1.12 0.00 0.00 0.93 0.00 0.00 8 I 8.11 5.77 1.63 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.34 0.34 0.00 0.00 *10 G 8.69 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 11 S 8.22 4.80 0.00 4.01 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 12 K 8.70 3.98 0.00 1.82 1.92 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 13 S 7.52 4.37 0.00 4.09 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 14 D 8.29 4.62 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.17 4.56 0.00 3.34 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 16 S 8.19 4.08 0.00 4.00 3.98 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 17 T 7.44 4.22 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 1.17 0.00 0.00 *19 K 7.95 2.98 0.00 0.79 1.04 0.00 1.29 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 0.85 7.81 20 E 7.57 3.84 0.00 2.01 1.86 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 2.13 2.33 0.00 21 C 7.74 4.06 0.00 2.92 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.61 3.54 0.00 3.06 2.88 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 23 D 8.09 4.37 0.00 2.74 2.68 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 24 I 7.33 3.66 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.65 0.61 0.00 0.00 25 L 7.64 3.88 0.00 1.44 1.65 0.55 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.47 4.51 0.00 2.92 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.14 4.45 0.00 2.85 2.95 0.00 0.00 7.11 8.02 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 28 L 8.00 4.45 0.00 1.56 1.66 0.70 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.76 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 0.00 0.00 0.00 30 I 7.89 4.39 1.91 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 1.16 0.79 0.96 0.00 0.00 31 G 8.98 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 0.00 0.00 0.00 0.00 32 Y 8.11 5.66 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.35 4.96 0.00 2.08 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 0.00 2.30 2.40 0.00 34 C 8.51 6.00 0.00 3.08 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 35 E 8.44 4.63 0.00 2.01 1.62 0.00 0.00 0.00 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 2.25 0.00 36 V 8.19 4.20 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 0.77 0.00 0.00 0.84 0.00 0.00 37 V 8.13 4.22 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 0.86 0.00 0.00 0.64 0.00 0.00 38 S 8.73 4.62 0.00 4.03 3.76 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 39 A 8.62 4.05 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 40 H 7.99 4.69 0.00 3.15 3.36 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.33 4.29 0.00 1.76 1.98 0.00 3.10 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 42 T 7.84 4.73 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 1.20 0.00 0.00 43 P 0.00 4.32 0.00 1.99 2.26 0.00 3.81 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 1.90 1.93 0.00 44 D 8.06 4.38 0.00 2.72 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 45 K 7.64 4.36 0.00 1.92 1.94 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.49 7.81 *47 F 8.21 4.77 0.00 3.28 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.55 4.59 0.00 2.93 2.92 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 49 Y 8.55 3.90 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.13 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 4.01 0.00 2.24 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 2.29 2.32 0.00 52 T 7.96 4.75 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 1.22 0.00 0.00 53 A 7.58 3.71 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 54 K 7.89 4.05 0.00 1.81 1.78 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 55 E 8.05 4.07 0.00 2.16 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 2.53 2.29 0.00 56 R 7.83 4.13 0.00 1.87 1.94 0.00 3.05 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 57 G 8.05 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.45 4.26 0.00 1.78 1.62 0.86 0.91 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 59 K 8.83 4.60 0.00 1.67 1.83 0.00 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0.00 77 A 7.87 4.10 1.30 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 0.00 0.00 0.00 78 K 7.78 4.35 0.00 1.48 1.51 0.00 1.28 0.00 0.00 0.70 0.00 0.00 2.35 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.71 0.21 7.81 79 T 7.39 4.66 4.39 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 1.30 0.00 0.00 80 T 8.38 4.22 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 1.20 0.00 0.00 81 L 7.60 4.21 0.00 1.70 1.67 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.45 0.00 2.22 2.28 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.02 0.00 83 V 8.53 4.97 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 1.12 0.00 0.00 1.01 0.00 0.00 84 L 9.21 5.25 0.00 1.65 1.73 1.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 G 9.70 4.39 0.00 0.00 0.00 0.00 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0.00 0.00 137 I 8.31 3.69 1.86 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 1.62 1.02 0.91 0.00 0.00 138 N 8.19 4.39 0.00 2.86 2.87 0.00 0.00 7.12 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.01 3.69 1.98 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 1.45 0.82 0.92 0.00 0.00 140 A 8.01 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 0.00 141 K 8.18 3.91 0.00 2.02 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 142 A 8.17 4.01 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 0.00 143 L 8.32 3.92 0.00 1.72 1.73 0.84 1.27 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 0.00 144 A 8.21 4.04 1.43 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 0.00 0.00 0.00 145 E 8.48 3.91 0.00 2.21 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 0.00 2.33 2.38 0.00 146 F 8.46 3.99 0.00 3.21 3.16 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 0.00 147 R 8.39 4.02 0.00 1.99 2.03 0.00 3.25 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.97 0.00 148 A 8.20 4.00 1.43 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 0.00 0.00 0.00 149 E 8.42 3.85 0.00 2.06 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 2.26 2.36 0.00 150 Q 7.95 3.89 0.00 2.19 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 151 T 7.89 3.88 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 152 R 8.21 3.91 0.00 2.11 2.01 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 153 F 8.20 4.09 0.00 3.09 3.23 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 0.00 154 V 7.60 3.54 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 0.94 0.00 0.00 1.06 0.00 0.00 155 L 7.71 3.99 0.00 1.79 1.68 0.91 0.97 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 0.00 156 E 8.14 4.24 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 157 N 7.26 5.21 0.00 2.22 2.49 0.00 0.00 6.98 7.84 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 0.00 158 P 0.00 4.17 0.00 2.13 2.13 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 159 D 8.19 4.63 0.00 2.68 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 0.00 160 P 0.00 4.44 0.00 2.21 2.15 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 161 R 8.22 4.22 0.00 1.98 2.04 0.00 3.19 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 1.66 1.60 0.00 162 E 7.76 4.02 0.00 1.99 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 2.30 2.32 0.00 163 H 8.25 4.43 0.00 3.17 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.91 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.