NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4079 8.1927 115.2895 58.4518 64.7056 175.5578 3 Q 3.7554 8.0894 120.5825 58.5858 28.7938 176.3155 4 A 3.9581 8.7833 122.5676 55.4743 18.8264 178.5462 5 N 4.2465 8.1848 114.2838 56.4322 38.5304 177.2596 6 L 3.6563 7.5066 120.3997 58.5239 41.9536 179.0572 7 M 3.9259 7.9664 118.3286 57.9773 31.6693 178.8712 8 R 3.8556 8.0515 119.5706 59.0669 30.2465 178.1287 9 L 3.1459 7.6591 120.1402 57.7693 42.0474 178.8649 10 K 2.8191 7.3519 118.3189 59.1850 32.0028 178.8254 11 S 4.0212 7.3642 112.6460 61.8759 62.0021 175.9277 12 D 4.3407 7.8456 120.0976 57.5987 40.6623 178.7958 13 L 4.0204 7.7009 118.6537 56.7555 41.4630 178.6635 14 F 5.0639 7.6582 116.8368 59.5680 39.5500 177.3231 15 N 4.9040 7.8318 112.4212 53.6523 38.5559 176.8083 16 R 4.9431 7.5462 116.4007 55.1470 32.7855 173.7835 17 S 4.6163 7.2608 121.6084 58.3419 65.1356 177.2658 *20 Y 4.4587 8.7189 132.2381 57.8031 38.9474 172.7148 21 P 4.2423 0.0000 0.0000 62.8484 31.1951 177.0508 22 G 2.9129 5.5981 104.9475 44.1150 0.0000 171.8269 23 P 4.3292 0.0000 0.0000 62.3698 31.9189 175.3234 24 T 4.7682 7.7402 109.2218 59.3812 71.8162 174.1487 25 K 4.4422 8.5086 119.4405 59.1696 32.0856 178.7132 26 D 4.4844 7.9899 117.4322 56.5521 41.6885 176.0706 27 D 4.7259 7.6690 118.1442 51.7557 40.9596 172.1365 28 P 5.0842 0.0000 0.0000 62.1774 33.4166 176.4991 29 L 4.8323 8.8062 121.3138 53.6122 45.6821 174.8710 30 T 5.0281 8.6495 121.6646 61.9032 70.6993 173.6768 31 V 4.7707 8.8980 127.0636 61.5629 34.0148 174.4551 32 T 4.9888 8.9828 125.2105 62.7282 70.0133 173.7785 33 L 5.2095 8.8963 126.1718 52.9916 44.7697 176.3159 34 G 4.1863 8.4666 108.7287 44.7851 0.0000 171.3636 35 F 5.3401 9.4786 121.9760 55.7127 42.3094 174.9809 36 T 4.9091 8.5240 118.9161 61.6337 70.8507 173.0463 37 L 4.5444 8.3921 129.7430 54.9929 42.2276 176.3287 38 Q 4.3223 9.0834 125.9348 57.9851 30.6227 175.4990 39 D 4.2418 7.7322 114.4200 53.2877 44.7365 174.7690 40 I 4.5872 8.7333 127.0948 60.4795 37.2703 175.8699 41 V 3.9853 8.6696 128.5569 65.2551 32.1747 176.4063 42 K 4.9048 7.9357 119.8921 54.8268 35.9395 174.4376 43 A 4.7394 8.8150 127.7403 50.2515 21.6109 174.8584 44 D 4.8267 9.2249 124.3210 53.1054 42.2981 176.9253 45 S 4.6826 8.7892 120.5539 58.7411 63.8116 175.1717 46 S 4.3987 8.2753 116.3412 60.0202 63.2853 174.8781 47 T 4.3756 7.7260 107.5864 60.0716 70.6482 172.9776 48 N 4.2968 8.0566 119.2216 53.7075 36.5966 173.0610 49 E 5.0922 7.4489 116.4715 54.4129 34.4032 176.9419 50 V 4.7116 7.9889 122.0386 61.1269 35.3537 173.6864 51 D 5.6736 8.8821 126.7166 52.6762 43.2179 175.2747 52 L 5.4026 9.1477 123.1249 52.9508 45.4567 175.4324 53 V 4.9578 8.6912 122.8543 61.5407 33.9882 174.0486 54 Y 5.1588 8.1775 123.5616 56.6253 41.8852 172.9585 55 Y 5.1900 8.4709 117.9993 56.9137 41.0127 174.8038 56 E 4.2064 8.5792 122.1827 54.0249 31.6225 173.6971 57 Q 4.1786 8.9045 128.5368 55.7725 30.5903 174.4592 58 Q 5.2641 9.1888 125.1234 54.2872 32.6721 174.6659 59 R 5.4242 9.2847 121.6778 53.3099 34.7605 174.3352 60 W 5.5401 7.8741 118.2461 55.8270 31.9603 172.7288 61 K 5.0193 8.6874 120.1509 54.8957 35.0284 175.0427 62 L 4.6796 8.8345 126.5359 52.8493 45.0126 177.6737 63 N 4.3694 8.9105 120.9724 56.2414 38.8172 177.4313 64 S 4.2592 7.9767 111.4807 60.4946 63.4001 174.6593 65 L 4.6746 7.7127 119.9995 54.8403 41.7391 175.6448 66 M 4.8220 7.8082 119.2344 55.1208 32.7873 175.4259 67 W 5.2326 8.3682 117.9892 55.7060 32.3266 173.2136 68 D 4.7086 9.0097 120.0186 52.5028 41.3977 175.0022 69 P 4.8654 0.0000 0.0000 65.3507 31.1241 178.2600 70 N 4.5500 8.4521 113.7484 55.6569 38.5224 175.9656 71 E 4.3254 8.0095 117.7994 56.1265 30.4241 175.8540 72 Y 4.7027 7.2728 117.5876 57.3448 39.1157 174.9993 73 G 3.9907 8.5917 101.7144 47.5834 0.0000 173.2262 74 N 4.3109 8.4145 111.3497 53.8051 36.7746 175.1776 75 I 4.2632 7.6486 118.2413 61.4058 38.2064 176.9097 76 T 4.7880 8.5792 113.1379 62.0703 71.5649 172.7523 77 D 5.7176 8.2292 119.6704 53.2241 42.5128 174.1062 78 F 4.9623 8.5225 111.6213 56.0622 41.2626 173.6740 79 R 4.7891 8.7211 119.5068 56.4688 31.1978 175.7138 80 T 4.7749 8.8165 115.9687 60.5425 71.6667 172.9989 81 S 4.4365 8.8357 120.7509 58.2829 62.8800 175.1871 82 A 3.7163 8.8808 129.9490 54.9581 18.2307 179.7077 83 A 4.0968 7.7406 117.5074 54.8456 18.6800 178.3454 84 D 4.2164 7.7544 115.0261 55.9022 40.9497 175.7734 85 I 4.7941 6.9195 109.8894 58.0940 40.8850 174.5633 86 W 4.3243 8.9556 130.8755 57.3601 31.1332 175.1790 87 T 3.7379 6.9532 114.3795 58.3229 71.2242 171.8621 88 P 3.5391 0.0000 0.0000 62.5383 32.2996 176.0719 89 D 4.7510 8.2801 120.4287 53.0961 38.5219 176.5157 90 I 4.5301 7.5361 118.9690 62.6734 38.2976 177.5396 91 T 4.9487 9.4587 123.1122 61.6032 73.0389 173.0956 92 A 4.0151 8.6761 127.0725 51.8585 18.5981 177.1376 93 Y 4.4045 8.8723 124.9115 59.2479 39.8461 176.7282 94 S 4.7378 7.7833 113.1445 57.4962 63.7151 173.7763 95 S 4.6911 8.1717 115.0781 59.7302 63.1226 173.8405 96 T 4.4661 8.5371 111.7217 61.7883 69.8132 174.3020 97 R 4.6869 7.4739 119.3718 53.7592 34.3054 172.8317 98 P 4.2971 0.0000 0.0000 62.4807 31.8834 176.8203 99 V 3.9472 8.2831 122.1965 63.4642 32.4684 174.8727 100 Q 4.6432 8.7428 126.0271 54.1409 31.0181 174.7699 101 V 4.3278 8.4142 124.5731 62.4506 32.1227 175.4608 102 L 4.7650 8.9085 127.3880 54.6326 42.5650 176.1705 103 S 4.7737 7.7058 112.4036 55.3480 66.4404 172.1642 104 P 4.3235 0.0000 0.0000 63.7610 31.8761 177.2310 105 Q 4.8639 8.4245 121.3503 54.6099 27.6892 173.3247 106 I 5.0588 8.0933 120.3890 59.2082 41.2147 174.3693 107 A 5.0022 9.3041 127.5241 50.0820 23.0126 174.8505 108 V 4.4933 8.3868 118.4900 61.1278 34.3407 174.3451 109 V 4.5384 7.8661 127.8853 61.5496 33.5311 174.8033 110 T 5.0472 8.5665 124.5518 61.7527 71.1105 175.5422 111 H 2.0000 8.3837 119.2370 57.4625 28.4122 176.6950 112 D 4.3356 7.2473 117.5886 53.4088 39.4122 177.0566 113 G 4.2116 8.4487 108.8453 46.7698 0.0000 173.5064 114 S 4.7119 7.7085 114.8099 57.7772 64.9182 173.4693 115 V 4.5504 8.3672 121.8915 61.1165 34.6740 173.7702 116 M 5.0263 8.5205 126.0863 53.7051 35.6843 173.9678 117 F 5.2333 9.0222 126.9446 56.8275 43.1085 173.6584 118 I 4.9236 8.0423 126.1327 57.5319 37.0570 172.6224 119 P 4.1569 0.0000 0.0000 62.2823 33.1877 176.4185 120 A 4.9285 8.6391 125.1589 51.4381 20.7932 176.2191 121 Q 4.8178 8.4281 118.8719 54.3211 34.1164 173.6347 122 R 5.1127 8.9765 123.0022 54.6137 32.4712 174.4783 123 L 5.2267 9.1205 128.0522 53.4661 45.3879 174.9140 124 S 5.4817 8.8002 122.1972 57.3273 65.0011 173.1486 125 F 5.4422 8.8834 118.5575 55.0597 42.0946 173.5871 126 M 4.5784 8.6449 119.7848 55.6269 31.9476 175.8821 127 C 4.4672 8.6636 122.7210 55.8807 47.6508 172.5498 128 D 4.5718 8.8083 127.6145 52.8278 40.4268 173.2307 129 P 4.5963 0.0000 0.0000 62.9544 31.4720 175.9622 130 T 3.9383 7.8885 116.0052 66.1626 68.5964 174.4602 131 G 3.9942 8.9829 114.3828 44.9833 0.0000 175.5007 132 V 3.5241 7.8159 120.0654 64.1849 31.5058 176.4128 133 D 5.0391 7.8759 119.2473 53.3244 39.9075 175.6871 134 S 4.7303 7.5261 112.7934 57.1920 66.4815 173.3844 135 E 4.0624 8.8167 121.2549 59.4159 29.4586 177.9531 136 E 3.9416 8.0805 117.1044 57.2206 29.9240 177.7139 137 G 3.6007 7.8056 105.4289 44.3464 0.0000 171.8709 138 A 4.6167 8.0741 119.6090 50.3638 21.9987 176.3802 139 T 5.0488 8.1039 114.8993 62.1114 71.8470 174.3342 140 C 5.3134 9.5244 121.8979 55.5300 45.3050 172.8390 141 A 5.4797 8.6870 121.3430 50.6344 22.3542 176.0988 142 V 4.4049 8.4579 119.6657 60.2544 34.9623 173.6596 143 K 5.0070 8.6079 124.0165 55.3820 35.3869 175.0788 144 F 5.3094 8.8711 120.4242 56.0920 42.8684 174.4795 145 G 4.4843 8.9970 108.6114 45.5285 0.0000 172.2424 146 S 5.0204 8.8663 115.2784 57.6039 62.3422 173.9989 147 W 4.2137 9.3091 135.0000 59.9878 30.5983 177.0672 148 V 4.3255 8.1842 107.4920 60.9939 32.7427 174.7206 149 Y 4.6480 8.0086 118.7363 55.9537 39.2787 176.0881 150 S 2.8167 8.4502 120.0644 56.4207 64.2403 175.1780 151 G 3.5250 8.2205 109.6708 49.4385 0.0000 175.0365 152 F 4.6986 7.5027 117.5218 59.4409 39.5608 176.3162 153 E 4.4492 8.6996 119.4507 57.3425 31.6791 176.0044 154 I 4.8801 7.6179 120.1909 59.5431 40.2917 174.1758 155 D 4.9930 9.0820 127.1612 52.7632 43.5952 174.9117 156 L 5.5765 8.4383 122.1898 52.9544 44.9626 175.6843 157 K 4.8984 9.0395 120.0970 55.6993 36.5946 174.9075 158 T 5.0706 8.4355 110.3314 60.2325 70.7500 173.7824 159 D 4.5460 8.7297 121.6354 56.2683 41.9580 176.0891 160 T 4.5477 7.2273 110.2040 61.0369 70.1092 172.6615 161 D 5.0686 8.4961 124.7568 55.5608 42.1931 175.7392 162 Q 4.6928 7.9906 118.8009 54.4073 29.6220 176.0715 163 V 3.7746 8.2226 125.4695 62.6821 32.6937 175.0743 164 D 4.4587 9.1040 128.0723 54.4794 42.0081 176.1260 165 L 4.7661 8.5228 125.2676 54.5002 42.3166 178.4715 166 S 4.3290 8.6538 114.8413 60.3659 63.0689 175.1473 167 S 4.7120 7.8452 115.2965 58.0856 63.3563 173.2608 168 Y 4.2329 7.7029 122.5649 57.4969 39.2127 175.2394 169 Y 4.1393 8.1505 128.4868 57.7045 38.9254 176.8127 170 A 4.0754 8.5355 130.7982 54.3980 18.7241 177.6636 171 S 4.4493 5.8693 111.0943 57.8512 63.5684 174.4474 172 S 4.4399 6.8733 113.8902 58.1044 62.8018 174.5043 173 K 3.9650 8.6196 123.3434 58.4428 32.0865 176.3665 174 Y 5.4112 7.7725 116.2689 55.9693 40.8127 175.1324 175 E 4.6782 9.1623 122.2652 55.2461 32.1478 175.1581 176 I 4.4034 7.9196 123.1743 61.0700 37.5278 175.6561 177 L 4.4037 9.0109 128.6074 57.2453 42.3187 177.2080 178 S 4.7229 7.8272 110.5914 57.4970 66.8188 173.4354 179 A 5.1075 8.3598 122.4388 51.3376 21.8755 175.3002 180 T 5.2103 8.9850 112.8795 60.0331 72.8822 173.1177 181 Q 4.9982 9.2187 120.6978 54.9071 31.6424 174.2727 182 T 4.8566 8.8317 120.3613 61.1964 72.4660 173.4830 183 R 4.5457 8.8443 127.3952 56.7855 30.8656 175.4516 184 Q 4.7675 9.7082 124.2461 54.1482 33.6880 174.0380 185 V 4.7191 8.2572 119.8175 61.3551 34.3094 174.3848 186 Q 4.4849 8.7105 126.6348 55.0471 32.9187 172.6930 187 H 5.1805 8.3538 120.1724 54.2350 31.6349 173.4899 188 Y 4.7011 8.2124 117.6320 55.8492 41.5230 176.8578 189 S 4.2005 8.9161 118.4082 61.8972 63.1386 175.1596 190 C 4.4625 8.1827 113.7139 57.9888 41.5872 174.6018 191 C 5.1756 7.8745 115.3252 54.5167 43.8798 172.5694 192 P 4.2674 0.0000 0.0000 65.2501 31.3626 177.2286 193 E 4.2784 8.0507 116.7725 55.2584 30.4191 174.4453 194 P 4.6045 0.0000 0.0000 62.7911 33.3592 174.3122 195 Y 4.7935 9.2765 119.2932 56.3775 40.8569 174.8641 196 I 4.8327 8.3701 124.1151 60.4295 38.8506 174.7339 197 D 5.2025 9.0964 124.4246 51.7797 43.6212 174.2278 198 V 4.7111 8.9101 120.2007 61.4121 33.7855 173.8145 199 N 4.9393 9.4419 128.0955 52.3290 40.6448 173.2585 200 L 4.8439 8.7097 129.4079 53.7361 43.8421 175.0829 201 V 4.7682 8.6384 127.7210 61.1729 33.8017 174.3298 202 V 4.9295 9.0270 128.6274 61.0797 34.2738 174.0704 203 K 5.2517 9.1681 128.0829 54.8379 34.3459 175.4250 204 F 5.5197 8.7542 118.7621 56.1074 41.8960 173.0011 205 R 5.0583 8.9620 115.3851 54.5908 33.3630 173.9933 206 E 4.7004 9.1307 120.5652 56.4672 29.8575 177.7035 207 R 4.1294 8.3886 121.0609 56.0671 30.8461 176.7817 208 R 4.1204 8.6697 118.4883 56.0922 30.6776 174.1736 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 4.41 0.00 3.88 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 3 Q 8.09 3.76 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 4 A 8.78 3.96 1.31 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 5 N 8.18 4.25 0.00 2.89 3.01 0.00 0.00 6.69 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.51 3.66 0.00 1.71 1.76 0.61 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 7 M 7.97 3.93 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 8 R 8.05 3.86 0.00 1.99 2.17 0.00 3.06 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 9 L 7.66 3.15 0.00 0.92 1.09 -1.01 -1.27 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 10 K 7.35 2.82 0.00 1.55 1.68 0.00 1.53 0.00 0.00 1.43 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.39 0.76 7.81 11 S 7.36 4.02 0.00 3.89 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 12 D 7.85 4.34 0.00 2.71 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 13 L 7.70 4.02 0.00 0.77 1.32 0.42 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.66 5.06 0.00 3.17 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 15 N 7.83 4.90 0.00 2.78 2.88 0.00 0.00 6.93 7.67 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 16 R 7.55 4.94 0.00 1.95 1.84 0.00 3.13 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 17 S 7.26 4.62 0.00 3.90 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 *20 Y 8.72 4.46 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 21 P 0.00 4.24 0.00 2.04 2.02 0.00 3.55 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 22 G 5.60 2.91 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 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.33 0.00 2.05 1.72 0.00 2.84 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.30 0.00 24 T 7.74 4.77 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 1.16 0.00 0.00 25 K 8.51 4.44 0.00 1.75 1.85 0.00 1.70 0.00 0.00 0.61 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.55 7.81 26 D 7.99 4.48 0.00 2.65 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 27 D 7.67 4.73 0.00 2.65 2.47 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 28 P 0.00 5.08 0.00 2.13 2.29 0.00 3.76 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 1.99 1.98 0.00 29 L 8.81 4.83 0.00 1.60 1.37 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.65 5.03 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 1.26 0.00 0.00 31 V 8.90 4.77 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 1.16 0.00 0.00 1.05 0.00 0.00 32 T 8.98 4.99 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 33 L 8.90 5.21 0.00 1.47 1.34 1.07 0.78 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 34 G 8.47 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 9.48 5.34 0.00 2.87 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 36 T 8.52 4.91 3.74 0.00 0.00 0.00 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2.09 2.32 0.00 5.45 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 0.00 112 D 7.25 4.34 0.00 2.63 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 0.00 113 G 8.45 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 0.00 0.00 0.00 0.00 114 S 7.71 4.71 0.00 3.75 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 0.00 115 V 8.37 4.55 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.63 0.00 0.00 116 M 8.52 5.03 0.00 1.98 1.70 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 117 F 9.02 5.23 0.00 3.03 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 0.00 118 I 8.04 4.92 1.62 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.10 0.66 0.00 0.00 119 P 0.00 4.16 0.00 1.86 1.60 0.00 3.51 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 1.77 1.45 0.00 120 A 8.64 4.93 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 0.00 121 Q 8.43 4.82 0.00 1.25 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 122 R 8.98 5.11 0.00 1.83 1.78 0.00 3.04 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 123 L 9.12 5.23 0.00 2.17 1.87 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.80 5.48 0.00 3.85 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 0.00 125 F 8.88 5.44 0.00 3.19 2.99 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 0.00 126 M 8.64 4.58 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.48 0.00 127 C 8.66 4.47 0.00 2.16 2.34 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 0.00 128 D 8.81 4.57 0.00 2.65 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 0.00 129 P 0.00 4.60 0.00 2.28 2.31 0.00 3.85 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 130 T 7.89 3.94 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 1.19 0.00 0.00 131 G 8.98 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 0.00 132 V 7.82 3.52 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 1.09 0.00 0.00 1.07 0.00 0.00 133 D 7.88 5.04 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 0.00 134 S 7.53 4.73 0.00 3.97 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 0.00 135 E 8.82 4.06 0.00 1.92 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 2.28 2.39 0.00 136 E 8.08 3.94 0.00 1.94 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 0.00 2.29 2.34 0.00 137 G 7.81 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 0.00 138 A 8.07 4.62 0.62 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 0.00 0.00 0.00 0.00 0.00 139 T 8.10 5.05 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 1.23 0.00 0.00 140 C 9.52 5.31 0.00 3.19 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 0.00 141 A 8.69 5.48 1.19 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 0.00 0.00 142 V 8.46 4.40 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 -0.17 0.00 0.00 0.29 0.00 0.00 143 K 8.61 5.01 0.00 1.95 2.10 0.00 1.34 0.00 0.00 1.73 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.43 7.81 144 F 8.87 5.31 0.00 3.12 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 9.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.87 5.02 0.00 4.12 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 0.00 147 W 9.31 4.21 0.00 3.46 3.25 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 0.00 148 V 8.18 4.33 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 0.96 0.00 0.00 0.64 0.00 0.00 149 Y 8.01 4.65 0.00 3.06 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 0.00 150 S 8.45 2.82 0.00 3.56 3.40 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 0.00 151 G 8.22 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 0.00 152 F 7.50 4.70 0.00 3.10 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 0.00 153 E 8.70 4.45 0.00 2.20 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 2.48 2.30 0.00 154 I 7.62 4.88 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.03 0.99 0.00 0.00 155 D 9.08 4.99 0.00 2.80 2.53 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 0.00 156 L 8.44 5.58 0.00 1.59 1.60 1.09 0.91 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 0.00 157 K 9.04 4.90 0.00 1.80 1.88 0.00 1.29 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 158 T 8.44 5.07 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 1.28 0.00 0.00 159 D 8.73 4.55 0.00 2.66 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 0.00 160 T 7.23 4.55 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 1.27 0.00 0.00 161 D 8.50 5.07 0.00 2.69 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 0.00 162 Q 7.99 4.69 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 163 V 8.22 3.77 2.22 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 0.79 0.00 0.00 0.98 0.00 0.00 164 D 9.10 4.46 0.00 2.81 2.58 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 0.00 165 L 8.52 4.77 0.00 1.73 1.64 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 166 S 8.65 4.33 0.00 4.00 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 0.00 167 S 7.85 4.71 0.00 3.81 3.91 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 0.00 0.00 0.00 168 Y 7.70 4.23 0.00 3.03 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 0.00 169 Y 8.15 4.14 0.00 2.79 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 A 8.54 4.08 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 S 5.87 4.45 0.00 3.31 3.64 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 0.00 172 S 6.87 4.44 0.00 3.98 4.04 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 0.00 173 K 8.62 3.96 0.00 1.25 1.20 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.49 1.32 7.81 174 Y 7.77 5.41 0.00 3.05 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 E 9.16 4.68 0.00 2.09 2.13 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 2.30 2.34 0.00 176 I 7.92 4.40 1.53 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.08 0.87 0.00 0.00 177 L 9.01 4.40 0.00 1.60 1.71 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 178 S 7.83 4.72 0.00 3.84 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 0.00 179 A 8.36 5.11 1.19 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 0.00 0.00 180 T 8.99 5.21 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 1.21 0.00 0.00 181 Q 9.22 5.00 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 182 T 8.83 4.86 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 1.23 0.00 0.00 183 R 8.84 4.55 0.00 1.87 1.87 0.00 3.29 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 184 Q 9.71 4.77 0.00 2.32 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00 185 V 8.26 4.72 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 0.70 0.00 0.00 0.91 0.00 0.00 186 Q 8.71 4.48 0.00 2.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.52 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 187 H 8.35 5.18 0.00 2.92 3.09 0.00 5.69 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 0.00 188 Y 8.21 4.70 0.00 2.78 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 0.00 189 S 8.92 4.20 0.00 3.88 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 0.00 190 C 8.18 4.46 0.00 3.04 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 0.00 191 C 7.87 5.18 0.00 3.14 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 P 0.00 4.27 0.00 2.14 2.17 0.00 3.77 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 2.10 2.15 0.00 193 E 8.05 4.28 0.00 1.92 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 194 P 0.00 4.60 0.00 1.91 1.81 0.00 2.95 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 1.64 1.75 0.00 195 Y 9.28 4.79 0.00 3.11 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 0.00 196 I 8.37 4.83 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 1.35 0.95 1.05 0.00 0.00 197 D 9.10 5.20 0.00 2.94 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 0.00 198 V 8.91 4.71 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.05 0.00 0.00 199 N 9.44 4.94 0.00 3.01 2.75 0.00 0.00 6.31 7.21 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 0.00 200 L 8.71 4.84 0.00 1.35 1.54 0.77 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 201 V 8.64 4.77 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 0.90 0.00 0.00 0.93 0.00 0.00 202 V 9.03 4.93 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 1.01 0.00 0.00 0.87 0.00 0.00 203 K 9.17 5.25 0.00 1.72 1.68 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.37 7.81 204 F 8.75 5.52 0.00 3.27 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 0.00 205 R 8.96 5.06 0.00 2.06 1.99 0.00 2.91 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 206 E 9.13 4.70 0.00 1.90 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 2.41 2.51 0.00 207 R 8.39 4.13 0.00 1.80 1.94 0.00 3.00 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 208 R 8.67 4.12 0.00 1.86 2.08 0.00 3.25 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 0.00 * Residues marked with a * may have inaccurate shift predictions.