NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 5.0491 8.3916 119.7855 55.8115 31.2491 171.7288 *2 K 4.1414 8.0584 122.1298 56.2021 33.6891 174.1399 3 I 5.0002 8.7068 127.4363 59.8369 40.3356 174.3949 4 T 4.9663 8.8175 123.9433 61.4045 71.0652 172.9623 5 W 4.6787 8.8913 135.0000 56.0408 31.6258 175.9404 6 F 4.3993 8.6074 124.4300 56.4313 39.8176 175.2799 7 G 2.0235 6.7992 106.9359 44.2940 0.0000 175.9019 8 H 3.8940 7.1509 116.5015 57.4079 27.6010 175.8213 9 A 4.8373 8.9938 129.3953 53.0303 19.0646 175.7061 10 C 5.4560 8.4210 120.9998 59.3058 32.4806 172.6480 11 F 5.4517 9.2365 124.7475 55.6153 42.9139 173.9517 12 A 5.1389 9.0880 123.5237 50.2979 21.5450 175.5752 13 L 4.8756 9.1094 123.2014 53.1327 43.8070 175.4677 14 E 5.4639 8.7681 124.3064 53.5316 31.3892 176.5374 *16 E 4.0384 8.4993 121.3535 56.3603 30.9894 177.2400 17 G 4.1376 8.5209 103.8571 46.0267 0.0000 174.0678 18 K 4.8217 7.3960 118.0410 54.4566 35.2633 174.9714 19 T 5.0251 9.0636 117.0912 61.9290 71.7557 173.1223 20 I 4.6904 8.7023 127.5976 59.3401 40.1507 174.6277 21 V 4.7941 8.6088 127.4575 61.2402 33.8726 174.3146 22 T 4.7316 8.6649 118.1474 60.0811 70.9447 174.3369 23 D 4.6092 8.2080 122.7331 54.9328 38.7466 171.6751 24 P 4.3316 0.0000 0.0000 62.4308 34.2523 177.5871 25 F 4.7220 7.5224 112.5182 57.6211 37.6601 176.1759 *31 Y 3.8697 9.0334 113.3833 56.2514 39.1556 173.0953 32 P 4.1455 0.0000 0.0000 63.2311 31.8154 176.7576 *33 I 3.5429 8.5417 120.6389 59.6411 35.4716 169.8694 34 P 3.2574 0.0000 0.0000 61.8124 30.9580 175.4383 35 N 4.5551 7.9672 122.9775 52.2447 39.3837 174.0795 36 V 4.3547 7.5144 122.7891 61.1184 34.5330 171.9569 37 T 4.9410 8.6071 119.5082 62.0379 69.9199 173.5431 38 A 4.7239 8.9208 128.8508 50.4349 21.1225 175.8053 39 D 4.7120 8.9963 119.9259 55.6060 42.8899 176.9846 40 V 4.8577 7.5537 116.8452 60.9164 35.6516 174.3672 41 V 4.7173 8.9517 126.9163 61.2123 34.3109 174.2015 42 T 4.6889 8.4193 118.1288 60.0421 71.3707 173.4801 43 E 4.8101 8.6258 122.9416 54.7590 31.9858 176.3535 44 S 4.5102 10.1391 120.3965 60.4317 63.6777 173.5211 45 H 4.8522 8.2218 113.8307 55.1356 30.5424 171.5197 46 Q 2.9453 7.4214 120.9574 52.1027 32.9804 176.1416 *51 N 4.3479 8.2764 116.9741 53.1452 38.4774 174.3082 52 A 3.9366 8.3818 127.5119 54.0183 19.2425 177.9159 53 H 4.7830 7.5253 110.9074 55.4782 28.6760 176.3585 54 H 4.5691 8.1093 116.3010 57.9081 28.7238 175.7513 55 L 4.3971 7.4436 118.1103 54.4126 42.2307 176.7440 56 V 3.5718 7.0791 118.6823 62.5283 32.0688 175.8287 57 K 4.3113 8.2612 126.1004 55.8789 33.1404 176.2003 58 G 4.2167 8.6851 106.3466 45.2082 0.0000 174.2521 59 N 4.6294 8.2124 117.4781 51.4093 37.0419 174.6870 60 F 5.0301 6.9657 117.4043 55.0484 41.2787 175.3083 61 R 4.5093 8.8416 120.0925 55.1847 31.7162 174.8837 62 V 4.7642 8.3730 125.5216 61.2589 33.6191 174.5530 63 I 4.3926 8.8548 129.2294 59.0511 39.5631 175.6423 64 D 5.2455 8.7780 129.9913 53.2472 40.0803 176.0121 *65 R 4.7155 8.0396 115.4217 54.8156 33.3899 175.7469 66 P 4.4173 0.0000 0.0000 62.6606 32.0622 176.1412 67 G 4.1017 7.3833 106.8045 43.6725 0.0000 171.4860 68 A 5.1826 7.4747 121.7744 50.4205 20.8409 175.8508 69 Y 4.9521 9.3350 118.7887 56.7552 43.1600 174.3410 70 T 5.1904 8.5350 115.9180 62.0991 72.8782 174.1548 71 V 4.2340 9.3488 126.9851 63.0786 34.2747 175.7126 *72 N 4.2424 10.1163 125.3935 53.2863 34.7775 171.6878 73 G 4.0146 8.4471 107.0982 45.7102 0.0000 173.9720 74 V 4.2477 8.0394 121.4858 62.0157 33.0391 174.9111 75 K 4.9845 8.6252 127.1229 55.4939 34.2473 175.7607 76 I 5.0978 8.9384 124.4555 59.4842 40.8675 174.1440 77 K 5.1162 9.0176 128.5557 54.4637 35.1646 174.7735 78 G 3.8966 9.2911 114.2607 44.1446 0.0000 171.7691 79 V 4.5608 8.4061 125.2963 60.5352 34.1872 174.3389 80 E 4.6106 8.9335 129.9731 56.7331 29.6370 176.3899 81 T 4.6793 9.0070 115.4223 61.1943 72.2214 174.1553 82 F 4.0606 8.5979 122.1876 58.2352 37.5603 177.8220 *93 K 4.1422 9.0437 119.2909 56.0469 32.7581 173.2366 94 N 5.0974 9.3997 125.1530 52.2889 42.4981 172.8907 95 I 4.6064 8.5741 128.3265 59.5309 39.2106 175.4595 96 V 3.9962 8.5500 128.6673 62.7132 32.7771 174.6773 97 F 5.1356 8.8941 125.9713 55.5428 42.1945 174.3206 98 V 4.6341 8.4404 122.8343 60.9859 34.3182 174.0730 99 F 5.4372 9.5342 126.6965 55.6201 42.2326 173.7436 100 E 5.1188 8.8235 124.5552 54.7039 31.9138 174.8352 101 G 4.0911 8.9757 111.0466 46.5282 0.0000 172.9927 102 E 3.7537 8.9064 121.0586 57.2502 27.3243 174.6435 103 G 4.1355 8.3855 103.6359 46.5092 0.0000 173.9986 104 I 4.6751 7.3978 117.0438 58.9625 40.7964 174.7046 105 K 4.8842 10.0884 125.7545 55.1030 33.6211 175.4933 106 V 4.8722 9.0055 126.1794 61.2301 34.3053 173.9789 107 C 5.2261 8.9213 126.7595 57.9300 35.0044 171.7836 108 H 5.0252 9.2576 126.6733 54.5867 30.7551 174.9982 109 L 4.2570 8.7416 126.2792 55.0864 42.7997 178.4372 110 G 4.3232 7.9803 106.4126 46.8629 0.0000 174.5064 111 D 4.8589 9.6271 118.3020 53.3843 41.5232 176.5501 112 L 3.7644 7.3875 119.5094 56.0185 42.1914 177.2879 113 G 4.1074 8.7279 113.8874 45.7588 0.0000 172.1407 114 H 4.8282 7.3373 113.5271 53.8246 31.2814 173.3338 115 V 3.7316 8.1163 120.2867 62.4834 31.9682 175.9732 116 L 4.3081 8.2393 126.5747 54.8992 42.3148 177.5652 117 T 4.3475 8.6647 112.4419 60.4127 71.3258 174.0507 118 P 4.1032 0.0000 0.0000 65.9911 31.3186 178.6313 119 A 3.9607 7.9362 118.6074 55.3902 18.4245 179.6288 120 Q 3.9041 7.8713 116.1442 58.9443 28.7187 178.7758 121 V 3.6385 8.6511 122.5309 66.9412 31.2642 178.3684 *122 E 3.9541 8.1637 116.7371 61.1197 29.5759 179.9821 123 E 4.4253 7.9362 118.2428 57.7527 29.9348 178.0960 124 I 3.9469 7.7156 119.5451 63.1437 37.7736 176.8420 125 G 3.8075 8.3166 106.3025 44.2100 0.0000 172.1646 126 E 4.3815 8.3546 118.7575 56.0093 30.4843 176.0991 127 I 4.6280 8.3386 124.8558 60.0120 40.8239 176.0307 128 D 4.3946 9.1585 126.3430 56.3317 42.4624 176.5833 129 V 4.7367 7.6978 118.5721 60.8649 34.5209 173.6841 130 L 5.0852 9.3714 130.8111 53.2359 44.7939 174.7996 131 L 4.9090 8.6646 127.0607 53.1026 43.3638 175.8465 132 V 4.7400 8.2798 124.2032 58.8727 34.4024 173.4344 133 P 4.6605 0.0000 0.0000 62.7685 32.0408 176.4702 134 V 4.3617 8.3645 112.8631 60.7984 33.7418 176.8574 135 G 3.8975 7.2486 107.9252 46.3009 0.0000 175.9789 136 G 3.9226 8.1245 107.8801 45.5123 0.0000 173.7811 137 T 4.1186 7.0782 118.2631 65.9186 69.0633 175.7360 *138 Y 4.1765 7.8087 126.3867 58.6882 37.9517 177.4241 139 T 4.9548 7.4550 107.1544 59.7177 71.7409 174.1773 140 I 3.9233 8.6022 115.7488 61.7281 38.8642 176.1321 141 G 4.4077 9.0336 111.4173 44.5762 0.0000 172.6382 142 P 4.5604 0.0000 0.0000 66.1165 31.2365 178.6543 143 K 4.0178 8.0706 118.0734 59.0641 32.0041 179.0588 144 E 4.1581 8.2509 118.2454 59.3188 29.3306 179.0950 145 A 4.0141 8.2968 121.0606 55.0940 18.3775 179.6105 146 K 4.1629 8.6946 118.3897 59.6364 32.1865 178.8618 147 E 3.9529 8.3024 119.0326 59.4418 29.4490 179.4913 148 V 3.6005 8.1112 118.1083 65.8636 31.5306 177.8130 149 A 4.0524 8.4128 120.8109 55.3753 18.2488 179.3476 150 D 4.3261 8.4310 117.5062 57.6540 40.7213 179.1259 151 L 4.0938 8.2679 118.5035 56.9835 41.8966 178.5214 152 L 4.4319 7.9466 116.9222 53.1561 42.1028 175.8293 153 N 4.3368 8.0979 116.3954 54.2259 37.9701 174.0653 154 A 4.7219 7.9805 117.5423 51.9830 19.0826 178.2772 155 K 4.2324 8.8904 120.8497 57.8985 33.4188 176.0346 156 V 4.4668 8.4728 119.4482 62.1410 33.2195 174.3407 157 I 4.7936 8.7137 128.8424 59.6140 40.2757 174.5021 158 I 5.0630 9.1801 129.0434 57.8991 39.3077 174.1741 159 P 5.0001 0.0000 0.0000 61.2807 32.9535 175.6552 *161 H 4.8954 8.1912 114.2331 56.4613 29.3164 171.8236 162 Y 5.1667 7.2149 114.6930 54.3215 41.9477 175.7654 163 K 4.3612 9.1749 121.8558 57.3137 32.5121 175.8929 164 T 4.8632 8.4820 117.0900 59.1706 72.0900 174.0497 165 K 3.9533 8.5025 119.8108 60.2455 32.5118 178.1045 166 Y 3.9466 7.2905 116.0546 59.4830 38.0370 175.4237 167 L 4.5698 7.8561 121.6490 53.1032 42.2049 176.0346 168 K 4.3952 8.4879 122.6524 56.1812 32.7314 176.9973 *169 F 4.6194 7.8351 120.4225 56.5340 40.1429 180.1246 170 N 4.5532 9.4854 123.1020 51.9203 34.4575 170.3895 171 L 5.0493 7.7020 117.4125 53.8213 45.8156 176.5690 172 L 4.4233 8.9832 123.9696 53.7921 42.9701 175.0457 173 P 4.8512 0.0000 0.0000 62.7286 32.2285 177.8321 174 V 3.4217 8.4742 121.2140 64.6243 31.1305 177.9600 175 D 4.2918 8.1641 119.6127 57.7946 40.3882 178.4370 176 D 4.4534 7.7747 118.1565 56.6782 41.0274 178.2743 177 F 4.5869 7.9679 120.9011 61.0882 39.8292 177.2329 178 L 3.8532 7.9850 118.6004 57.8613 41.1053 179.5964 179 K 4.0016 7.8258 117.3166 59.0266 32.0422 178.2200 180 L 4.1772 7.5244 116.8163 54.1549 42.0216 176.1540 181 F 4.8664 7.1750 116.9815 55.2832 42.1227 175.2695 182 D 4.5132 8.7947 122.0172 57.1630 40.8904 176.2528 183 S 4.5847 7.7502 111.2841 58.1356 65.2745 172.5667 184 Y 4.9434 7.5799 117.2746 56.1410 40.6516 173.3637 185 E 4.7451 9.2357 120.6738 54.4950 32.8800 174.6222 186 R 5.2701 8.6223 123.6747 54.8927 32.7865 175.4758 187 V 4.5263 8.5777 115.0385 59.3832 35.6296 176.4056 188 G 4.1816 8.6406 116.2974 46.4970 0.0000 174.7784 189 N 4.9248 8.7143 119.4733 53.0871 38.7440 174.9737 190 I 5.0833 7.6695 120.2254 59.4791 40.6785 174.3756 191 L 4.7826 9.2450 128.4837 53.2704 44.7902 174.7610 192 E 4.8975 8.8847 125.0323 54.4951 32.2741 175.3069 193 L 4.7484 7.8480 121.7385 53.1211 45.3880 176.9683 194 F 4.8206 9.1459 122.8419 57.9154 40.1169 175.5856 195 E 4.7348 7.8129 117.3291 54.7574 33.2520 180.6757 196 K 4.1338 8.5695 121.8234 54.2195 32.0437 176.3984 197 P 4.3870 0.0000 0.0000 62.6160 31.6268 177.0694 198 K 4.4509 8.6095 122.6480 54.5186 32.8586 173.0743 199 E 4.8519 7.6811 115.1417 54.8095 33.2710 175.1586 200 R 4.2835 8.4123 121.7181 56.5208 31.0853 175.8113 201 K 4.4677 9.2565 126.6593 55.3616 36.4706 174.3291 202 V 4.2724 8.2826 127.6856 61.9716 33.0647 174.4331 203 V 4.7833 8.8933 128.2359 61.2720 34.1077 174.8838 204 V 4.2002 9.0627 128.1804 61.2909 33.9848 174.1433 *206 E 4.5356 8.3753 123.1227 56.1276 30.4919 175.7926 207 V 3.7873 8.2265 123.5571 63.0481 31.5582 175.4359 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 H 8.39 5.05 0.00 3.12 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 K 8.06 4.14 0.00 1.74 1.60 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.42 7.81 3 I 8.71 5.00 1.83 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 1.11 0.40 0.93 0.00 0.00 4 T 8.82 4.97 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 0.68 0.00 0.00 5 W 8.89 4.68 0.00 3.11 2.86 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 6 F 8.61 4.40 0.00 2.82 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 7 G 6.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 7.15 3.89 0.00 3.18 2.66 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.99 4.84 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 0.00 0.00 0.00 0.00 0.00 10 C 8.42 5.46 0.00 3.25 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 11 F 9.24 5.45 0.00 3.06 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 12 A 9.09 5.14 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 9.11 4.88 0.00 1.23 1.38 0.23 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.77 5.46 0.00 1.72 1.80 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 2.23 2.07 0.00 *16 E 8.50 4.04 0.00 2.02 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 2.30 2.27 0.00 17 G 8.52 4.14 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 0.00 0.00 0.00 18 K 7.40 4.82 0.00 1.76 1.66 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.51 7.81 19 T 9.06 5.03 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 20 I 8.70 4.69 1.44 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.64 0.36 0.00 0.00 21 V 8.61 4.79 1.80 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 0.85 0.00 0.00 0.78 0.00 0.00 22 T 8.66 4.73 4.12 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 1.20 0.00 0.00 23 D 8.21 4.61 0.00 3.10 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 24 P 0.00 4.33 0.00 1.93 1.77 0.00 3.85 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 25 F 7.52 4.72 0.00 3.03 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 *31 Y 9.03 3.87 0.00 2.62 2.63 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 0.00 0.00 0.00 32 P 0.00 4.15 0.00 2.07 2.05 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 *33 I 8.54 3.54 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 1.41 0.62 0.91 0.00 0.00 34 P 0.00 3.26 0.00 1.25 0.70 0.00 3.21 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.96 0.00 35 N 7.97 4.56 0.00 2.55 2.67 0.00 0.00 7.07 7.71 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 36 V 7.51 4.35 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 0.16 0.00 0.00 0.92 0.00 0.00 37 T 8.61 4.94 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 1.23 0.00 0.00 38 A 8.92 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.00 4.71 0.00 2.60 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 40 V 7.55 4.86 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 0.93 0.00 0.00 0.92 0.00 0.00 41 V 8.95 4.72 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 0.50 0.00 0.00 -0.17 0.00 0.00 42 T 8.42 4.69 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 0.73 0.00 0.00 43 E 8.63 4.81 0.00 1.89 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 0.00 2.20 2.39 0.00 44 S 10.14 4.51 0.00 4.31 4.37 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 45 H 8.22 4.85 0.00 3.23 3.43 0.00 5.55 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 46 Q 7.42 2.95 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 *51 N 8.28 4.35 0.00 2.77 2.72 0.00 0.00 6.76 8.15 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 52 A 8.38 3.94 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 53 H 7.53 4.78 0.00 3.25 3.54 0.00 5.46 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.11 4.57 0.00 3.29 3.68 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.44 4.40 0.00 1.49 1.63 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.08 3.57 1.75 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 0.46 0.00 0.00 0.62 0.00 0.00 57 K 8.26 4.31 0.00 2.03 1.72 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.36 7.81 58 G 8.69 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.21 4.63 0.00 2.56 2.68 0.00 0.00 6.81 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 60 F 6.97 5.03 0.00 2.95 3.12 0.00 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7.87 3.90 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 121 V 8.65 3.64 2.30 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 1.07 0.00 0.00 0.96 0.00 0.00 *122 E 8.16 3.95 0.00 2.06 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 2.27 2.20 0.00 123 E 7.94 4.43 0.00 1.95 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 2.25 2.31 0.00 124 I 7.72 3.95 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.89 0.00 0.00 125 G 8.32 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 0.00 126 E 8.35 4.38 0.00 1.95 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 2.30 2.49 0.00 127 I 8.34 4.63 1.88 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 1.42 0.86 0.95 0.00 0.00 128 D 9.16 4.39 0.00 2.74 2.69 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.08 4.12 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 1.23 0.00 0.00 *138 Y 7.81 4.18 0.00 2.33 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 0.00 139 T 7.45 4.95 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 1.21 0.00 0.00 140 I 8.60 3.92 1.89 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 1.38 0.88 0.96 0.00 0.00 141 G 9.03 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 0.00 0.00 0.00 0.00 142 P 0.00 4.56 0.00 2.59 2.53 0.00 3.76 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 143 K 8.07 4.02 0.00 1.85 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.55 7.81 144 E 8.25 4.16 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 145 A 8.30 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 0.00 146 K 8.69 4.16 0.00 1.85 1.80 0.00 0.61 0.00 0.00 1.24 0.00 0.00 2.53 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.49 1.31 7.81 147 E 8.30 3.95 0.00 2.23 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 2.33 2.66 0.00 148 V 8.11 3.60 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 149 A 8.41 4.05 1.57 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 0.00 0.00 150 D 8.43 4.33 0.00 2.87 2.74 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 0.00 0.00 0.00 0.00 151 L 8.27 4.09 0.00 1.76 1.74 0.93 0.90 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 0.00 152 L 7.95 4.43 0.00 1.73 1.68 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 153 N 8.10 4.34 0.00 2.83 2.84 0.00 0.00 7.07 8.12 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 0.00 154 A 7.98 4.72 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 0.00 155 K 8.89 4.23 0.00 1.88 1.98 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.58 7.81 156 V 8.47 4.47 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 0.89 0.00 0.00 0.91 0.00 0.00 157 I 8.71 4.79 1.76 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 1.29 0.61 1.07 0.00 0.00 158 I 9.18 5.06 1.61 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 0.96 1.82 0.68 0.00 0.00 159 P 0.00 5.00 0.00 1.96 1.80 0.00 3.55 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.80 0.00 *161 H 8.19 4.90 0.00 3.21 3.40 0.00 5.57 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 Y 7.21 5.17 0.00 3.09 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 0.00 163 K 9.17 4.36 0.00 2.14 1.93 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.45 7.81 164 T 8.48 4.86 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 0.00 165 K 8.50 3.95 0.00 1.46 1.75 0.00 0.61 0.00 0.00 1.30 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.10 0.63 7.81 166 Y 7.29 3.95 0.00 2.11 2.20 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 0.00 167 L 7.86 4.57 0.00 1.67 1.54 1.03 0.60 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 0.00 168 K 8.49 4.40 0.00 1.77 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.43 7.81 *169 F 7.84 4.62 0.00 2.26 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 0.00 0.00 0.00 0.00 170 N 9.49 4.55 0.00 2.92 2.87 0.00 0.00 6.69 7.79 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 0.00 171 L 7.70 5.05 0.00 1.53 1.71 1.06 1.18 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 0.00 172 L 8.98 4.42 0.00 1.72 1.64 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.85 0.00 2.30 2.22 0.00 3.74 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 2.36 2.00 0.00 174 V 8.47 3.42 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 0.56 0.00 0.00 0.36 0.00 0.00 175 D 8.16 4.29 0.00 2.78 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 0.00 176 D 7.77 4.45 0.00 2.77 2.79 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 0.00 0.00 0.00 177 F 7.97 4.59 0.00 3.05 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 0.00 178 L 7.98 3.85 0.00 1.49 1.27 -0.06 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 179 K 7.83 4.00 0.00 1.73 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.80 7.81 180 L 7.52 4.18 0.00 0.95 1.17 0.87 0.70 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 0.00 181 F 7.17 4.87 0.00 2.92 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 0.00 182 D 8.79 4.51 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 0.00 183 S 7.75 4.58 0.00 3.84 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 0.00 184 Y 7.58 4.94 0.00 3.00 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 0.00 185 E 9.24 4.75 0.00 2.03 1.82 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 2.20 2.23 0.00 186 R 8.62 5.27 0.00 1.79 1.91 0.00 3.40 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 187 V 8.58 4.53 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 0.71 0.00 0.00 1.00 0.00 0.00 188 G 8.64 4.18 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 0.00 189 N 8.71 4.92 0.00 2.88 3.19 0.00 0.00 6.50 7.60 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 0.00 190 I 7.67 5.08 1.89 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 1.19 0.65 0.91 0.00 0.00 191 L 9.24 4.78 0.00 1.68 1.46 0.93 0.81 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 0.00 192 E 8.88 4.90 0.00 1.87 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 2.13 2.31 0.00 193 L 7.85 4.75 0.00 1.41 1.45 0.87 1.04 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 0.00 194 F 9.15 4.82 0.00 3.03 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 0.00 195 E 7.81 4.73 0.00 1.94 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.86 0.00 196 K 8.57 4.13 0.00 1.77 1.65 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.00 7.81 197 P 0.00 4.39 0.00 2.17 2.10 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 198 K 8.61 4.45 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.01 7.81 199 E 7.68 4.85 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 200 R 8.41 4.28 0.00 1.87 1.87 0.00 3.40 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 201 K 9.26 4.47 0.00 1.81 1.56 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.41 7.81 202 V 8.28 4.27 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 0.70 0.00 0.00 -0.47 0.00 0.00 203 V 8.89 4.78 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 0.91 0.00 0.00 0.92 0.00 0.00 204 V 9.06 4.20 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 1.00 0.00 0.00 0.82 0.00 0.00 *206 E 8.38 4.54 0.00 2.25 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 2.38 2.47 0.00 207 V 8.23 3.79 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 0.75 0.00 0.00 -0.17 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.