NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6930 8.2233 120.4814 54.0853 42.2741 174.1207 6 N 4.5389 8.6272 121.1380 52.4383 39.7150 173.2546 7 K 4.4738 9.1052 121.8751 54.3392 36.3883 174.6120 8 L 4.7297 8.2039 125.6804 54.2468 43.5536 174.9717 9 F 5.5003 9.3676 125.6916 55.6863 42.1755 174.2933 10 L 4.6529 9.1232 125.5250 53.5481 43.6696 175.3147 11 V 5.0336 8.6505 120.2585 59.7390 35.1585 174.2013 12 Y 5.1412 9.7348 126.9250 56.3743 40.4440 174.8163 13 V 4.6808 8.5629 120.0683 59.5088 35.5747 175.0781 14 G 3.8222 8.7774 108.8041 44.2019 0.0000 173.1851 15 G 3.9642 7.0116 106.2577 46.0491 0.0000 171.6250 16 T 4.8648 7.8152 112.6973 60.3021 70.0663 173.6688 17 A 4.8623 7.9516 125.5080 49.4000 22.3037 173.9983 18 P 4.3297 0.0000 0.0000 64.0543 31.8740 176.1761 19 G 4.0571 9.0556 110.5410 45.4097 0.0000 173.8004 20 A 4.2975 7.2699 121.9225 51.8740 19.1043 177.3112 21 N 4.5441 8.8433 119.6657 54.8710 39.1424 175.3809 22 I 4.5465 7.3010 109.2436 58.1159 40.3837 174.4189 23 E 4.2935 8.6725 121.9922 56.6606 30.0568 175.8160 24 L 5.0892 9.3298 126.1420 53.5270 45.3139 174.9677 25 H 5.4620 8.8648 116.3186 54.3860 32.6029 172.4138 26 D 5.0535 9.0825 120.2059 52.8095 45.4777 173.7759 27 I 4.8406 8.3867 123.1633 59.8851 38.5906 175.3364 28 R 4.6530 8.7640 126.0594 54.3285 33.4266 174.7587 29 F 5.1642 8.6591 120.4634 56.0870 40.7986 175.6233 30 V 4.8290 8.9973 115.8237 59.6973 36.4662 174.4016 31 V 4.9236 8.8358 123.0761 61.4165 33.8662 174.8756 32 G 4.1085 8.6460 112.8794 45.2093 0.0000 172.6446 33 P 4.9398 0.0000 0.0000 64.3513 32.7633 177.0283 34 S 4.5864 7.1384 113.1795 57.8212 62.3698 177.1814 *36 E 2.5400 8.8899 117.7356 55.4967 30.6269 176.5058 37 E 4.1657 7.3048 114.6004 57.0956 29.8223 177.0527 38 T 4.3574 7.0894 108.7686 61.8283 70.0995 176.0239 39 Y 4.3666 7.4246 120.4389 61.1857 37.8707 176.6158 40 P 4.2386 0.0000 0.0000 65.7368 31.3821 178.5017 41 A 4.1025 7.9766 118.8492 54.7466 18.3554 179.7585 42 I 3.6787 7.9982 118.7328 64.7058 37.0462 178.5777 43 R 3.9637 7.9964 117.9871 59.1515 30.0422 178.3238 44 K 4.2066 8.1841 115.9682 58.4882 33.1365 178.0613 45 G 3.8106 7.6606 107.6645 46.5578 0.0000 174.1000 46 W 4.4704 8.1018 131.1619 57.3293 30.8549 176.0012 47 F 4.2002 8.1466 121.1840 58.4617 38.4600 175.9990 48 G 3.2051 4.0000 111.4990 44.3855 0.0000 172.7281 49 T 4.1592 8.3152 119.4841 63.3951 69.2820 174.9767 50 Q 4.1052 8.8219 125.1775 58.6525 29.1156 176.5757 51 K 3.9679 7.8569 119.3047 58.0933 32.2832 176.4745 52 G 3.9246 8.8660 114.5970 44.6862 0.0000 172.5844 53 L 3.8752 7.4139 123.0446 55.2727 43.1033 175.6457 54 H 5.0262 8.3378 120.6671 53.5863 32.4875 171.9240 55 L 4.4882 8.8209 123.2609 54.9940 42.9025 176.3975 56 D 5.4763 9.8438 125.6795 55.0060 43.7080 176.1955 57 S 5.4958 8.3547 110.6644 57.6619 66.7305 173.0035 58 F 5.8586 8.7575 115.0505 56.1673 41.6908 173.3462 59 V 5.1364 9.2657 118.7855 60.3882 34.9605 173.8172 60 H 4.7559 9.9777 125.3119 56.0906 30.2361 174.2089 61 L 4.5835 8.9762 130.2517 54.1561 42.1015 175.4925 62 H 4.8465 9.4755 122.1074 55.5920 30.6028 173.5189 63 H 5.2937 8.1656 115.7318 54.0008 32.5907 172.7167 64 V 4.4047 8.6484 122.7407 62.3800 34.0183 175.0073 65 D 4.5662 10.2162 127.5261 55.4659 38.4815 174.7468 66 G 3.8220 8.0000 107.0443 44.9419 0.0000 172.8939 67 Y 5.0259 8.1014 118.2204 56.2704 40.4618 174.8882 68 R 4.4089 9.3723 125.1775 55.6369 31.9003 174.9529 69 I 4.7599 8.2448 127.3062 60.6020 38.3560 174.8793 70 H 5.0436 9.4170 124.4819 53.8891 31.9487 173.2053 71 L 5.4624 8.5670 121.2609 53.2564 44.2038 175.9548 72 T 4.7931 8.7241 113.1361 59.9946 72.0105 175.4786 73 S 4.3682 9.0127 118.9754 60.6380 63.3343 174.6117 74 E 4.6352 8.0788 117.5116 54.3240 32.0299 175.0790 75 A 4.1895 7.6743 124.7596 49.4773 21.4660 174.0737 *79 P 4.1091 0.0000 0.0000 62.8425 32.1186 175.6993 80 E 4.6102 8.6129 122.5400 54.5299 30.7712 175.8670 81 E 4.2142 8.7843 121.6230 57.8559 30.5532 176.3295 82 K 4.9029 7.7841 116.7454 54.4940 35.1942 175.8622 83 R 4.6161 9.1124 121.2426 54.1021 35.3519 173.9722 84 L 4.5519 8.1014 122.9082 55.1290 43.4557 174.9770 85 Y 5.1295 9.2857 124.0648 56.1424 41.7083 174.1332 86 F 5.3037 9.5105 126.9079 56.7220 41.7200 174.3498 87 V 4.3660 8.2699 126.6263 60.9426 33.8421 173.5579 88 N 4.7086 8.4827 128.0488 52.2857 40.0669 174.0627 89 F 4.7597 8.5151 125.4922 56.3412 40.0174 176.6171 90 G 3.8144 8.7741 113.1033 44.8443 0.0000 173.8280 *100 E 3.6258 7.7253 117.4003 55.9180 30.8571 174.5568 101 Y 4.5322 8.0487 123.6229 56.8362 37.6026 174.1055 102 H 4.7906 8.3846 124.9862 56.8567 32.3456 175.0099 103 D 4.8225 8.0211 117.0278 54.3669 40.4145 175.5800 104 F 5.4314 7.3792 113.4199 56.7690 41.5361 172.6358 105 T 4.9019 8.6755 112.6365 61.0920 71.4510 171.9519 106 V 5.1082 8.5765 123.5713 61.2746 34.0010 174.7764 107 V 4.8775 9.2074 119.9911 59.7437 36.5716 174.2602 108 V 4.8828 8.3556 121.9241 61.4380 32.8069 174.7004 109 A 4.7889 9.1018 128.5936 50.9550 22.7314 176.3069 110 D 4.8590 9.0334 117.7145 54.2246 40.6199 177.6334 111 S 4.7730 7.5911 113.5487 55.0074 67.3726 173.1277 112 P 3.6134 0.0000 0.0000 65.5366 30.8541 179.1903 113 Q 3.8815 7.7895 116.7626 59.0242 28.8029 178.6848 114 S 4.1239 8.0344 114.8808 60.8787 63.0619 176.2514 115 A 3.8241 7.6588 124.6239 55.0999 18.2076 179.7186 116 K 3.8360 7.6365 116.4571 59.5621 31.9284 179.6641 117 Q 4.0053 7.8233 118.1686 59.1079 28.4699 178.9323 118 L 4.0353 7.8886 118.4051 57.6174 41.5323 179.1502 119 A 4.2639 8.0572 120.9550 55.1585 18.3056 179.9095 120 R 3.9245 8.1140 116.1109 59.4326 29.9749 179.0239 121 A 4.3182 7.8176 119.4125 53.9951 18.4808 177.9476 122 Q 4.3952 7.3663 113.7549 56.2556 29.2698 176.9100 123 F 4.3577 8.0116 120.7930 61.0529 39.6705 176.0720 124 S 4.1107 7.9158 109.8630 59.2255 65.5032 174.2457 *142 V 3.7516 7.6321 119.4397 62.4321 31.6711 173.5337 143 D 5.1172 8.5110 125.4953 52.4732 44.7335 174.4209 144 D 5.1340 8.4036 118.8060 52.6768 44.0775 174.4120 145 C 5.3380 8.5624 118.3214 56.3979 33.2960 172.7644 146 L 4.8820 9.2943 122.0614 53.4839 45.2934 174.6233 147 C 4.2265 8.7793 126.2970 58.7394 32.3187 173.8813 148 V 4.0453 8.2533 128.7366 60.9857 29.2770 174.2333 149 D 4.7601 8.1403 123.0947 51.9489 41.7167 176.2377 150 L 4.7775 7.6590 120.6416 52.9291 44.5572 175.4659 151 V 4.1602 8.5565 125.7564 62.2224 34.2391 174.8438 152 D 4.5620 9.6702 129.0533 55.8465 38.1897 173.6036 153 N 4.0998 8.0946 108.9139 54.1694 36.7617 173.9660 154 H 5.0637 7.8269 115.4171 54.1675 32.0677 172.8362 155 Y 4.7724 9.2191 121.1784 57.4251 39.5756 174.6597 156 V 4.6672 8.6535 124.7164 61.8386 32.6100 175.0969 157 T 4.8169 8.8669 118.2087 59.8564 71.9219 172.8926 158 L 5.3901 8.5137 122.5111 53.1493 44.7019 175.7684 159 E 4.7572 9.1825 122.7413 54.2530 32.9183 174.2534 160 F 4.3487 9.1911 130.4603 58.4511 39.6025 174.1129 161 D 4.4784 8.3122 123.8418 52.1044 40.4982 176.8553 162 G 3.5347 7.0399 107.1990 45.3421 0.0000 173.8433 163 E 3.9975 7.9046 120.3117 56.2322 30.0269 176.1353 164 Q 4.6066 8.2329 121.0379 54.3781 31.3872 175.1024 165 Q 4.4500 8.2218 120.4210 53.8084 31.8179 172.6557 166 P 4.4054 0.0000 0.0000 62.7478 32.0234 177.1664 167 L 4.4965 8.3349 125.6967 54.0028 40.3653 175.6218 168 V 4.4470 7.4250 113.7477 58.0073 36.0594 173.8776 169 P 4.6138 0.0000 0.0000 62.6106 31.7968 176.8951 170 D 4.5092 8.6004 122.2531 56.7326 41.1313 176.9883 171 W 5.0590 7.2223 127.0490 55.5287 33.7506 173.2077 172 K 4.1190 7.9644 122.4337 53.9253 36.1561 177.6314 173 G 3.6024 6.4858 107.3155 46.2564 0.0000 171.9379 174 Y 4.8520 8.4919 126.4044 56.1658 41.6506 175.5873 175 Q 4.4849 9.0924 128.7909 53.3738 31.6532 172.2829 176 P 4.5203 0.0000 0.0000 62.5251 32.0754 176.3393 177 L 3.7600 7.9872 124.6804 53.4013 42.1479 175.6367 178 P 4.3544 0.0000 0.0000 62.6725 32.1504 176.3298 179 E 4.2144 8.4647 118.3357 56.6414 29.6364 176.2690 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 5 D 8.22 4.69 0.00 2.61 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 6 N 8.63 4.54 0.00 2.61 2.62 0.00 0.00 6.97 6.73 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 7 K 9.11 4.47 0.00 1.15 0.74 0.00 1.63 0.00 0.00 1.13 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.99 1.17 7.81 8 L 8.20 4.73 0.00 1.75 1.68 1.10 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.37 5.50 0.00 3.04 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 10 L 9.12 4.65 0.00 1.29 1.51 0.51 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.65 5.03 2.17 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 0.68 0.00 0.00 0.99 0.00 0.00 12 Y 9.73 5.14 0.00 3.16 3.27 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 13 V 8.56 4.68 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 1.00 0.00 0.00 14 G 8.78 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 15 G 7.01 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 0.00 0.00 0.00 16 T 7.82 4.86 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 1.25 0.00 0.00 17 A 7.95 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.33 0.00 2.05 2.01 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 19 G 9.06 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 20 A 7.27 4.30 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.84 4.54 0.00 2.76 2.91 0.00 0.00 6.83 7.45 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 22 I 7.30 4.55 1.94 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 1.37 0.73 0.96 0.00 0.00 23 E 8.67 4.29 0.00 2.06 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 2.36 2.67 0.00 24 L 9.33 5.09 0.00 1.95 1.81 1.15 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.86 5.46 0.00 3.03 2.65 0.00 5.84 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 26 D 9.08 5.05 0.00 3.12 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 27 I 8.39 4.84 1.58 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 1.47 0.54 -0.03 0.00 0.00 28 R 8.76 4.65 0.00 1.66 1.80 0.00 3.31 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 29 F 8.66 5.16 0.00 2.82 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 9.00 4.83 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 0.74 0.00 0.00 1.06 0.00 0.00 31 V 8.84 4.92 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 0.55 0.00 0.00 0.94 0.00 0.00 32 G 8.65 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 P 0.00 4.94 0.00 2.17 2.11 0.00 3.66 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 34 S 7.14 4.59 0.00 3.79 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 *36 E 8.89 2.54 0.00 1.71 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 37 E 7.30 4.17 0.00 2.02 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 0.00 2.23 2.10 0.00 38 T 7.09 4.36 4.21 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 1.18 0.00 0.00 39 Y 7.42 4.37 0.00 2.93 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 40 P 0.00 4.24 0.00 2.16 2.12 0.00 3.54 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 41 A 7.98 4.10 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.00 3.68 2.02 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 1.53 0.85 0.84 0.00 0.00 43 R 8.00 3.96 0.00 1.91 2.10 0.00 3.12 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 44 K 8.18 4.21 0.00 1.90 1.96 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.41 7.81 45 G 7.66 3.81 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 0.00 0.00 0.00 46 W 8.10 4.47 0.00 3.33 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 47 F 8.15 4.20 0.00 2.97 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 48 G 4.00 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 0.00 0.00 0.00 49 T 8.32 4.16 4.41 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 0.00 0.00 0.00 1.25 0.00 0.00 50 Q 8.82 4.11 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.09 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 51 K 7.86 3.97 0.00 1.70 1.73 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.42 7.81 52 G 8.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.41 3.88 0.00 1.45 1.24 -0.49 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.34 5.03 0.00 2.43 2.72 0.00 5.50 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.82 4.49 0.00 1.62 1.70 0.97 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 56 D 9.84 5.48 0.00 2.95 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 57 S 8.35 5.50 0.00 4.01 3.94 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 58 F 8.76 5.86 0.00 3.26 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.27 5.14 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 1.05 0.00 0.00 1.15 0.00 0.00 60 H 9.98 4.76 0.00 3.34 3.56 0.00 5.76 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.98 4.58 0.00 1.87 1.63 1.14 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 62 H 9.48 4.85 0.00 3.23 3.33 0.00 5.46 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.17 5.29 0.00 3.11 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.65 4.40 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 1.21 0.00 0.00 1.03 0.00 0.00 65 D 10.22 4.57 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.00 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 67 Y 8.10 5.03 0.00 3.11 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 68 R 9.37 4.41 0.00 1.99 1.89 0.00 3.19 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.35 0.00 69 I 8.24 4.76 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.90 0.00 0.00 70 H 9.42 5.04 0.00 3.14 3.18 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.57 5.46 0.00 1.48 1.56 0.91 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 72 T 8.72 4.79 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 1.25 0.00 0.00 73 S 9.01 4.37 0.00 3.92 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 74 E 8.08 4.64 0.00 1.90 1.77 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 2.20 2.28 0.00 75 A 7.67 4.19 0.33 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 *79 P 0.00 4.11 0.00 2.20 2.11 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 80 E 8.61 4.61 0.00 1.95 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 0.00 2.22 2.20 0.00 81 E 8.78 4.21 0.00 2.16 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 0.00 2.37 2.35 0.00 82 K 7.78 4.90 0.00 1.49 1.53 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.43 7.81 83 R 9.11 4.62 0.00 1.49 1.29 0.00 2.96 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 84 L 8.10 4.55 0.00 1.63 1.48 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 9.29 5.13 0.00 2.91 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 86 F 9.51 5.30 0.00 3.04 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 87 V 8.27 4.37 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 0.37 0.00 0.00 0.80 0.00 0.00 88 N 8.48 4.71 0.00 2.62 2.54 0.00 0.00 6.78 8.18 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 89 F 8.52 4.76 0.00 3.20 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 90 G 8.77 3.81 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 0.00 0.00 0.00 *100 E 7.73 3.63 0.00 1.82 1.78 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 2.08 2.23 0.00 101 Y 8.05 4.53 0.00 2.88 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 0.00 0.00 0.00 102 H 8.38 4.79 0.00 3.27 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.02 4.82 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.38 5.43 0.00 2.66 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.68 4.90 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 1.25 0.00 0.00 106 V 8.58 5.11 2.31 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 1.07 0.00 0.00 1.44 0.00 0.00 107 V 9.21 4.88 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 0.69 0.00 0.00 0.99 0.00 0.00 108 V 8.36 4.88 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 0.13 0.00 0.00 0.91 0.00 0.00 109 A 9.10 4.79 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 0.00 110 D 9.03 4.86 0.00 2.82 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 0.00 111 S 7.59 4.77 0.00 3.93 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 3.61 0.00 2.09 2.07 0.00 3.55 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 113 Q 7.79 3.88 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 114 S 8.03 4.12 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.66 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.64 3.84 0.00 1.89 1.82 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.52 7.81 117 Q 7.82 4.01 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 118 L 7.89 4.04 0.00 1.78 1.78 0.98 0.75 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 0.00 119 A 8.06 4.26 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 0.00 120 R 8.11 3.92 0.00 2.16 2.06 0.00 3.26 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 121 A 7.82 4.32 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 0.00 122 Q 7.37 4.40 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.72 2.44 0.00 123 F 8.01 4.36 0.00 2.87 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 0.00 124 S 7.92 4.11 0.00 3.91 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 *142 V 7.63 3.75 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 0.81 0.00 0.00 0.93 0.00 0.00 143 D 8.51 5.12 0.00 2.50 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 5.13 0.00 2.68 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 0.00 145 C 8.56 5.34 0.00 3.02 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 0.00 146 L 9.29 4.88 0.00 1.84 1.74 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 147 C 8.78 4.23 0.00 2.92 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.25 4.05 1.67 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 0.16 0.00 0.00 0.18 0.00 0.00 149 D 8.14 4.76 0.00 2.83 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 0.00 150 L 7.66 4.78 0.00 1.43 1.39 0.77 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.56 4.16 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 1.02 0.00 0.00 0.85 0.00 0.00 152 D 9.67 4.56 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 8.09 4.10 0.00 2.78 2.80 0.00 0.00 7.01 8.16 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 0.00 154 H 7.83 5.06 0.00 3.26 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 9.22 4.77 0.00 2.86 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 0.00 156 V 8.65 4.67 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 0.76 0.00 0.00 0.88 0.00 0.00 157 T 8.87 4.82 4.28 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 1.23 0.00 0.00 158 L 8.51 5.39 0.00 1.51 1.73 0.70 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 159 E 9.18 4.76 0.00 2.15 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 2.32 0.00 160 F 9.19 4.35 0.00 2.52 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 0.00 161 D 8.31 4.48 0.00 2.52 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 0.00 162 G 7.04 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 0.00 0.00 0.00 163 E 7.90 4.00 0.00 1.86 1.49 0.00 0.00 0.00 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 2.13 0.00 164 Q 8.23 4.61 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 165 Q 8.22 4.45 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 166 P 0.00 4.41 0.00 2.24 2.07 0.00 3.84 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 167 L 8.33 4.50 0.00 1.75 1.77 1.15 1.12 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 0.00 168 V 7.42 4.45 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.92 0.00 0.00 169 P 0.00 4.61 0.00 1.82 1.90 0.00 3.37 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.07 0.00 170 D 8.60 4.51 0.00 2.39 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 0.00 171 W 7.22 5.06 0.00 3.08 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 0.00 0.00 0.00 0.00 172 K 7.96 4.12 0.00 1.49 1.38 0.00 1.59 0.00 0.00 1.47 0.00 0.00 2.61 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.96 1.09 7.81 173 G 6.49 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 0.00 174 Y 8.49 4.85 0.00 2.94 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 0.00 175 Q 9.09 4.48 0.00 2.30 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.76 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 176 P 0.00 4.52 0.00 1.93 1.93 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 177 L 7.99 3.76 0.00 1.18 1.21 0.58 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.35 0.00 2.02 1.96 0.00 3.32 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 179 E 8.46 4.21 0.00 1.92 1.81 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 2.18 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.