NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0265 8.0249 114.2696 60.1482 39.6199 175.3518 2 K 3.8809 7.9449 120.9601 55.1625 31.4568 172.7186 3 E 4.2799 9.3759 126.9800 55.4828 31.4704 175.1722 4 E 4.3340 8.7913 124.9882 57.8470 30.9583 175.8279 5 H 5.0956 7.6413 112.1037 54.0751 33.0610 172.6928 6 V 4.4230 8.9121 120.9636 61.4620 34.7768 173.8699 7 I 5.0040 8.6005 128.4611 59.7197 39.2219 174.8844 8 I 4.3512 8.8089 128.3795 59.3128 40.2340 174.4035 9 Q 3.6558 8.2845 127.5838 54.0823 29.8848 174.2269 10 A 4.8133 7.8813 128.3335 49.9521 21.4181 174.6901 11 E 5.0247 8.5973 119.1469 55.0675 33.2769 174.2597 12 F 5.1314 8.5529 114.2499 56.5071 41.8571 172.1748 13 Y 5.2303 8.8023 119.7249 56.0422 42.4872 173.2484 14 L 4.9220 8.3118 127.5521 53.3212 45.4960 175.0340 15 N 5.3503 8.7572 122.2141 50.9546 41.5471 172.6091 16 P 4.6622 0.0000 0.0000 63.1356 31.8205 176.7313 17 D 4.3975 8.0719 119.9766 56.1094 41.0284 176.3513 18 Q 3.5963 8.3919 115.9256 56.6290 26.5270 173.5255 19 S 4.7270 7.4150 111.1999 56.4753 66.3732 173.8497 20 G 4.5419 8.5208 108.8718 44.6848 0.0000 170.9053 21 E 4.7701 8.2711 118.8152 54.8138 33.4701 173.5551 22 F 5.0688 8.4745 126.1722 56.5498 43.6112 173.0683 *24 F 4.3704 8.5048 121.9583 57.2635 40.6208 173.3393 25 D 5.3598 9.0301 121.6788 52.4030 45.0092 174.1686 26 F 5.1624 9.6625 127.2445 57.4854 41.3391 174.6422 27 D 4.2725 9.5380 129.2632 55.0978 38.8458 174.9187 28 G 4.0540 8.8057 107.7024 45.0878 0.0000 173.9574 29 D 4.9635 8.1621 119.9361 52.1996 42.7914 175.3265 30 E 4.5265 8.6798 123.8627 56.4045 30.5280 176.4867 31 I 4.4196 9.1844 128.5299 63.7473 38.2279 175.7314 32 F 5.1748 7.3641 112.8026 56.7528 40.0298 172.0224 33 H 5.0672 8.7613 113.9831 54.3366 32.6223 172.0836 34 V 4.7219 8.3987 119.1363 61.0959 33.0986 175.3380 35 D 4.5156 8.6044 127.9825 53.9487 42.3527 176.0136 *37 A 4.2819 8.4162 121.2549 52.1434 19.9963 178.1544 38 K 4.0985 8.2360 112.1096 56.4068 33.0752 176.6088 39 K 3.8829 7.9267 119.3699 56.1584 30.5131 173.3790 40 E 4.7947 7.2952 116.7725 54.8818 33.3700 176.0259 41 T 4.5260 8.5681 120.0564 63.6773 69.6638 174.0713 42 V 4.3608 8.6107 125.6074 59.5850 34.1324 175.1785 43 W 4.8658 8.9206 125.8462 55.8431 29.9085 176.7299 44 R 4.1788 9.0475 122.9892 58.7404 30.0251 176.9837 45 L 4.5922 7.6310 117.0791 52.4277 45.2869 176.7947 46 E 4.0253 8.9401 123.1784 59.7464 29.9074 179.2191 47 E 3.9645 8.0893 117.8623 59.4705 29.4185 178.9552 48 F 4.5009 7.9773 117.9469 60.8181 38.7483 177.9622 49 G 2.7287 7.2050 103.2759 46.5360 0.0000 174.7939 50 R 4.1277 7.1415 119.1303 55.8549 30.2314 177.0267 51 F 4.7618 7.4646 114.0794 57.2800 42.9939 173.7635 52 A 4.6062 7.1995 121.7475 51.1425 21.9063 174.4725 53 S 5.0664 8.1754 113.0201 57.6128 66.1560 173.2840 54 F 4.5130 8.1518 120.5387 57.0785 41.8184 173.6004 55 E 3.8564 7.6445 128.6804 54.7953 28.3704 176.1209 56 A 3.7221 8.3297 129.8430 55.2372 19.0139 179.2968 57 Q 3.9882 8.1956 115.9752 59.4829 28.7529 179.0430 58 G 3.4809 8.4252 106.9184 47.6186 0.0000 175.3887 59 A 3.0560 7.5615 123.2087 54.4832 18.2818 179.2567 60 L 3.8360 7.8403 118.0475 58.2870 42.0643 178.8994 61 A 3.9457 7.7762 120.0896 55.3003 18.2834 179.3603 62 N 4.3410 8.0938 114.9014 56.6687 38.6672 177.8256 63 I 3.9797 8.5326 122.7162 63.6073 37.0343 178.0610 64 A 3.8761 8.1168 121.8765 55.5212 18.1131 179.9865 65 V 3.5372 7.6393 115.9385 65.8956 31.1595 177.8899 66 D 4.3441 8.2628 119.1007 57.3224 40.5934 178.5533 67 K 3.0976 8.2781 119.9991 59.2422 31.9509 178.5819 68 A 3.9340 7.5078 120.9693 55.2885 18.0920 179.4033 69 N 4.3026 8.1188 114.0632 56.2285 38.6316 177.0358 70 L 4.1245 7.9227 121.1954 58.0161 42.4012 178.3289 71 E 4.1448 7.9600 119.2697 59.3561 29.5354 178.8358 72 I 3.7675 7.4074 115.7365 63.1409 36.8701 177.6660 *74 T 4.1175 7.7038 117.9706 63.5414 70.4495 176.0939 75 K 2.8007 7.5133 121.2809 59.2750 31.9188 178.7253 76 R 3.8303 7.8570 118.0833 59.2006 30.0488 177.7426 77 S 4.2930 7.6741 110.4053 57.8134 63.7249 172.9664 78 N 4.1197 8.3512 119.6703 55.5683 37.4219 172.9439 79 Y 3.5557 7.7861 108.8368 59.1115 36.1275 171.3436 80 T 4.2154 8.0106 116.6249 62.4184 69.2690 173.6797 81 P 4.5762 0.0000 0.0000 61.6152 32.6500 175.8943 82 I 3.8074 8.0198 119.7106 61.3626 38.5685 175.3619 83 T 4.4198 8.1688 122.4314 61.7485 69.1034 174.7323 84 N 4.5289 8.8342 124.2933 54.0923 39.2290 174.8047 85 V 4.4707 8.9642 122.2751 60.0714 34.0484 172.7877 86 P 4.6985 0.0000 0.0000 62.5789 31.6200 174.4567 87 P 4.8962 0.0000 0.0000 62.7382 33.0893 175.0068 88 E 4.5772 9.0269 120.4914 54.8310 31.3867 175.2206 89 V 4.8034 8.3088 124.7989 61.5227 33.5733 174.7953 90 T 4.7688 8.9897 121.1376 60.4582 71.2788 172.4754 91 V 5.2500 8.6057 127.1046 61.2749 34.2928 174.1175 92 L 5.2338 9.2712 127.4531 54.7318 44.6653 175.2489 93 T 4.8013 8.5419 109.2703 60.4614 70.2246 174.5896 94 N 4.7125 8.9689 121.5501 56.7571 39.5227 174.4966 95 S 4.6162 7.7420 110.3207 56.3196 66.1386 172.2633 96 P 4.4416 0.0000 0.0000 63.2111 31.2954 176.1037 97 V 4.3093 8.2398 113.6142 60.2228 33.3552 175.2472 98 E 4.6192 8.2217 122.5492 53.7346 32.6913 174.3871 99 L 4.0140 8.5647 126.7955 56.9948 42.2892 177.2601 100 R 3.7364 8.3097 122.2619 56.5384 28.6897 175.6286 101 E 4.2675 8.0440 119.7439 54.1616 29.5906 173.6212 102 P 4.0209 0.0000 0.0000 62.1756 32.1356 174.8875 103 N 4.7663 8.2781 119.4185 52.9004 43.0715 172.4910 104 V 4.8969 8.0294 117.3297 61.5628 35.3387 173.9413 105 L 4.6987 8.8647 128.2272 53.7641 43.4818 175.5461 106 I 4.8177 9.1247 124.3914 59.6566 40.1122 173.6483 107 C 5.0622 9.2549 128.5340 55.1021 45.7523 172.2805 108 F 4.7069 9.8991 127.0479 56.2235 40.4694 175.0766 109 I 4.6901 8.3337 125.3110 59.6518 39.2706 174.3915 110 D 5.2206 8.8455 126.0665 51.5312 45.3964 174.7963 111 K 3.8649 8.5064 118.0032 57.3795 29.6418 173.4081 112 F 5.7595 7.2236 111.7446 54.4473 42.6075 174.7613 113 T 4.6138 8.2028 110.7336 60.8524 70.1465 170.2883 114 P 4.8969 0.0000 0.0000 60.9475 32.5679 174.8471 115 P 3.7157 0.0000 0.0000 61.8539 29.5562 177.1930 116 V 4.2654 7.1260 116.2801 61.7011 34.4922 174.1740 117 V 4.4429 8.2211 125.0975 60.3535 34.6371 173.0639 118 N 4.8447 8.5819 120.8206 51.9106 41.1535 173.1875 119 V 4.7525 8.2715 125.6332 61.4470 34.4485 174.9009 120 T 4.5872 8.1225 122.2565 61.8439 72.8083 173.0865 121 W 4.8225 8.8440 126.4329 56.1311 31.1877 175.3380 122 L 5.2566 9.1745 123.1380 53.0463 45.5478 175.3088 123 R 4.4854 9.1319 124.6029 54.3500 32.2100 175.5293 124 N 4.3006 9.5003 126.9844 54.3811 36.6721 175.7296 125 G 4.0251 8.2939 105.0513 45.2740 0.0000 173.5716 126 K 4.4786 7.7060 119.9664 54.0064 33.4181 174.3201 127 P 4.8886 0.0000 0.0000 62.6709 31.8706 176.1042 128 V 4.5355 8.4205 116.8578 60.2493 33.7400 175.8463 129 T 4.5118 8.3443 117.4679 64.9893 71.5065 174.7872 130 T 4.0153 7.9248 110.7904 63.3247 68.7927 174.0379 131 G 4.0036 8.9461 114.5548 45.1898 0.0000 173.9906 132 V 4.6856 7.4872 112.6969 61.1889 32.4536 175.6169 133 S 4.9708 8.5811 117.3966 57.4397 67.0826 171.8196 134 E 5.1717 8.5774 116.6215 55.7540 32.0571 174.4492 135 T 4.5962 8.5123 112.2327 60.3253 71.2090 174.7520 136 V 3.8177 7.8487 120.7602 60.8647 33.4443 174.7266 137 F 4.6226 9.0537 120.3234 57.3451 39.1071 175.9333 138 L 4.7464 9.2332 125.5522 53.2839 43.1828 175.2381 139 P 4.6843 0.0000 0.0000 62.7188 32.8091 175.6243 140 R 4.6398 7.8602 117.6673 54.1671 33.9787 176.4927 141 E 4.0094 8.8006 120.6215 59.2681 29.5609 177.7032 142 D 4.3522 7.8189 115.6850 53.1534 39.6994 176.1542 143 H 3.9013 8.2495 115.4377 56.8346 26.5867 174.5917 144 L 4.4012 7.3505 120.1983 53.3216 43.8454 175.0629 145 F 5.0099 8.4529 116.9893 56.2585 43.3586 174.5513 146 R 4.9416 9.1206 118.4243 54.8204 34.1942 174.7834 147 K 4.9132 8.5422 121.0601 55.4622 36.3048 174.4467 148 F 5.1925 9.0608 123.9518 55.9386 42.9209 173.6433 149 H 5.1986 8.6316 119.0376 54.1720 32.4061 172.2941 150 Y 5.3108 9.4451 119.5378 56.2294 41.9676 174.8709 151 L 4.1199 8.2997 124.0788 52.5180 44.7114 173.5378 152 P 4.9347 0.0000 0.0000 62.5530 32.1642 175.8860 153 F 4.8547 9.0088 117.7987 55.8611 42.0042 173.2335 154 L 4.6279 8.4632 119.6313 52.2951 42.6148 174.7468 155 P 4.9018 0.0000 0.0000 63.4641 32.5389 175.8152 156 S 4.8864 8.6153 115.1331 57.6516 65.5090 174.4510 157 T 3.9433 8.3859 110.5398 62.5267 69.1028 174.8956 158 E 4.8655 7.7719 119.8239 55.9602 30.0398 175.4783 159 D 4.9645 8.4448 117.4985 53.6689 45.0229 175.2802 160 V 4.6291 8.8384 116.0078 59.8561 35.1173 174.4181 161 Y 6.0356 9.8291 123.1483 55.8498 41.4180 174.4412 162 D 5.2702 8.7084 119.3590 52.5616 43.5465 174.1736 163 C 4.6484 9.0746 121.1961 54.9213 44.4651 172.1390 164 R 4.9216 8.6263 127.7042 54.7341 31.5990 174.6310 165 V 4.6394 8.6485 127.2695 61.0266 34.2549 173.9434 166 E 4.9123 8.5914 126.9320 54.8442 32.5260 174.5200 167 H 4.5716 8.3676 121.9327 54.4253 32.9301 174.1959 168 W 4.7164 8.2972 124.7485 59.7375 29.0045 177.4382 169 G 3.9299 8.3026 104.8318 46.3980 0.0000 173.4967 170 L 4.5775 7.9741 120.3897 53.5746 43.1772 176.7540 171 D 4.4749 8.7448 122.4538 56.8427 41.1038 176.3951 172 E 4.7895 7.6028 113.4865 53.0598 32.7430 173.3419 173 P 4.2889 0.0000 0.0000 63.0544 32.0964 175.7896 174 L 4.3791 8.7970 126.0180 54.1437 43.8585 175.2871 175 L 5.0434 8.2804 126.5526 53.4541 44.6250 175.1961 176 K 4.5360 8.7089 126.8759 55.3617 33.8681 176.3340 177 H 5.3083 8.6961 124.7226 55.3346 32.0882 174.1287 178 W 4.4108 8.3051 126.2836 56.1944 34.5295 174.6964 179 E 4.1468 7.2684 129.4783 55.1607 28.8972 177.1724 180 F 3.0492 5.4600 110.0541 57.2222 38.4406 175.0836 181 D 4.4374 7.2261 125.7795 54.8677 41.3413 173.1921 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 I 8.02 4.03 1.86 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 1.12 0.91 0.00 0.00 2 K 7.94 3.88 0.00 1.84 1.82 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 3 E 9.38 4.28 0.00 1.90 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 2.22 2.30 0.00 4 E 8.79 4.33 0.00 1.87 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 0.00 2.17 2.26 0.00 5 H 7.64 5.10 0.00 3.15 3.07 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.91 4.42 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 1.03 0.00 0.00 0.88 0.00 0.00 7 I 8.60 5.00 2.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.00 1.14 0.00 0.00 8 I 8.81 4.35 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.77 0.76 0.00 0.00 9 Q 8.28 3.66 0.00 0.93 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 1.70 1.26 0.00 10 A 7.88 4.81 1.12 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 0.00 0.00 11 E 8.60 5.02 0.00 2.09 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.36 0.00 12 F 8.55 5.13 0.00 3.17 3.29 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 0.00 13 Y 8.80 5.23 0.00 3.17 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 14 L 8.31 4.92 0.00 1.69 1.49 0.89 0.63 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 15 N 8.76 5.35 0.00 2.78 2.72 0.00 0.00 7.04 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 16 P 0.00 4.66 0.00 2.18 2.14 0.00 3.69 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 1.94 1.92 0.00 17 D 8.07 4.40 0.00 2.64 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 18 Q 8.39 3.60 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 19 S 7.41 4.73 0.00 3.86 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 20 G 8.52 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.27 4.77 0.00 1.16 1.12 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 2.14 2.23 0.00 22 F 8.47 5.07 0.00 3.13 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 F 8.50 4.37 0.00 1.84 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 25 D 9.03 5.36 0.00 2.69 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 26 F 9.66 5.16 0.00 3.07 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 27 D 9.54 4.27 0.00 2.16 2.43 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 28 G 8.81 4.05 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 0.00 0.00 0.00 29 D 8.16 4.96 0.00 2.85 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 30 E 8.68 4.53 0.00 2.01 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 2.47 2.35 0.00 31 I 9.18 4.42 2.02 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.54 1.23 0.00 0.00 32 F 7.36 5.17 0.00 2.50 2.67 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 0.00 0.00 0.00 0.00 33 H 8.76 5.07 0.00 3.41 3.46 0.00 5.22 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.40 4.72 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.27 0.00 0.00 35 D 8.60 4.52 0.00 2.79 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 *37 A 8.42 4.28 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 38 K 8.24 4.10 0.00 1.85 1.88 0.00 2.05 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 39 K 7.93 3.88 0.00 1.84 1.78 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.47 7.81 40 E 7.30 4.79 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 41 T 8.57 4.53 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 42 V 8.61 4.36 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 0.53 0.00 0.00 1.00 0.00 0.00 43 W 8.92 4.87 0.00 3.42 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.05 4.18 0.00 2.06 2.32 0.00 3.34 0.00 0.00 3.56 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.72 0.00 45 L 7.63 4.59 0.00 0.27 1.11 0.62 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.94 4.03 0.00 1.96 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 2.43 2.33 0.00 47 E 8.09 3.96 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.20 2.17 0.00 56 A 8.33 3.72 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 57 Q 8.20 3.99 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 58 G 8.43 3.48 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 59 A 7.56 3.06 0.95 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 0.00 0.00 60 L 7.84 3.84 0.00 1.72 1.84 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.78 3.95 1.36 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 0.00 0.00 0.00 62 N 8.09 4.34 0.00 3.03 3.28 0.00 0.00 7.11 7.32 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 63 I 8.53 3.98 2.03 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.11 0.99 0.00 0.00 64 A 8.12 3.88 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.89 0.00 0.00 *74 T 7.70 4.12 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 75 K 7.51 2.80 0.00 1.68 1.84 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.40 7.81 76 R 7.86 3.83 0.00 1.85 1.88 0.00 3.28 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 77 S 7.67 4.29 0.00 4.03 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.35 4.12 0.00 2.87 2.96 0.00 0.00 7.13 7.89 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 79 Y 7.79 3.56 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.01 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 1.21 0.00 0.00 81 P 0.00 4.58 0.00 2.14 2.03 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 1.17 0.00 0.00 91 V 8.61 5.25 2.27 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 1.12 0.00 0.00 0.97 0.00 0.00 92 L 9.27 5.23 0.00 1.97 1.91 1.39 0.49 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 93 T 8.54 4.80 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 94 N 8.97 4.71 0.00 2.97 2.99 0.00 0.00 6.99 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 7.74 4.62 0.00 4.13 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 96 P 0.00 4.44 0.00 2.25 2.16 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 97 V 8.24 4.31 2.27 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 1.12 0.00 0.00 1.13 0.00 0.00 98 E 8.22 4.62 0.00 1.96 1.69 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.35 0.87 -0.10 0.00 0.00 107 C 9.25 5.06 0.00 2.48 2.67 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 0.00 0.00 0.00 0.00 108 F 9.90 4.71 0.00 2.85 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 0.00 109 I 8.33 4.69 1.83 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.47 0.48 0.00 0.00 110 D 8.85 5.22 0.00 2.74 2.48 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 0.00 111 K 8.51 3.86 0.00 1.93 1.82 0.00 2.06 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.41 7.81 112 F 7.22 5.76 0.00 3.11 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 4.61 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 1.28 0.00 0.00 114 P 0.00 4.90 0.00 2.16 2.12 0.00 4.19 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 2.40 2.26 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1.75 0.00 3.22 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.92 0.00 124 N 9.50 4.30 0.00 2.82 2.80 0.00 0.00 7.16 7.18 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 0.00 125 G 8.29 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 0.00 0.00 0.00 126 K 7.71 4.48 0.00 1.85 1.75 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.58 7.81 127 P 0.00 4.89 0.00 2.08 2.04 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 128 V 8.42 4.54 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 0.88 0.00 0.00 1.03 0.00 0.00 129 T 8.34 4.51 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 0.00 130 T 7.92 4.02 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 131 G 8.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.49 4.69 2.32 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 0.40 0.00 0.00 1.14 0.00 0.00 133 S 8.58 4.97 0.00 3.90 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 0.00 134 E 8.58 5.17 0.00 1.62 1.55 0.00 0.00 0.00 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 2.21 0.00 135 T 8.51 4.60 4.34 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 1.46 0.00 0.00 136 V 7.85 3.82 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 0.91 0.00 0.00 0.97 0.00 0.00 137 F 9.05 4.62 0.00 3.35 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 0.00 138 L 9.23 4.75 0.00 1.94 1.71 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.68 0.00 2.01 2.06 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 140 R 7.86 4.64 0.00 1.84 1.83 0.00 3.33 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 141 E 8.80 4.01 0.00 1.87 1.94 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 2.26 2.25 0.00 142 D 7.82 4.35 0.00 2.67 2.65 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 0.00 0.00 0.00 143 H 8.25 3.90 0.00 3.17 3.28 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.35 4.40 0.00 1.34 1.69 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.45 5.01 0.00 1.97 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 0.00 146 R 9.12 4.94 0.00 1.76 1.77 0.00 3.17 0.00 0.00 3.14 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 147 K 8.54 4.91 0.00 1.93 1.64 0.00 0.61 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.23 1.24 7.81 148 F 9.06 5.19 0.00 2.73 2.06 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 0.00 149 H 8.63 5.20 0.00 2.96 3.39 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Y 9.45 5.31 0.00 2.85 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 0.00 151 L 8.30 4.12 0.00 0.27 0.13 0.62 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.93 0.00 1.91 1.89 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 153 F 9.01 4.85 0.00 2.98 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 0.00 154 L 8.46 4.63 0.00 1.56 1.68 0.86 1.02 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 0.00 155 P 0.00 4.90 0.00 2.21 2.17 0.00 3.45 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.61 0.00 156 S 8.62 4.89 0.00 4.00 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 0.00 157 T 8.39 3.94 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 1.08 0.00 0.00 158 E 7.77 4.87 0.00 2.14 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 0.00 2.25 2.29 0.00 159 D 8.44 4.96 0.00 2.83 2.37 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 0.00 160 V 8.84 4.63 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 0.71 0.00 0.00 0.98 0.00 0.00 161 Y 9.83 6.04 0.00 2.97 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 0.00 162 D 8.71 5.27 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 C 9.07 4.65 0.00 2.35 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 0.00 164 R 8.63 4.92 0.00 1.80 1.65 0.00 3.05 0.00 0.00 3.05 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 165 V 8.65 4.64 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 0.70 0.00 0.00 0.66 0.00 0.00 166 E 8.59 4.91 0.00 1.77 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 2.12 2.09 0.00 167 H 8.37 4.57 0.00 2.89 2.93 0.00 5.69 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 0.00 168 W 8.30 4.72 0.00 3.49 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 0.00 169 G 8.30 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 0.00 0.00 0.00 170 L 7.97 4.58 0.00 1.72 1.75 0.85 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 171 D 8.74 4.47 0.00 2.66 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 0.00 172 E 7.60 4.79 0.00 2.00 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 2.14 2.26 0.00 173 P 0.00 4.29 0.00 1.90 1.96 0.00 3.63 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 174 L 8.80 4.38 0.00 1.63 1.52 0.86 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 175 L 8.28 5.04 0.00 1.58 1.46 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 176 K 8.71 4.54 0.00 1.70 1.75 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.36 1.54 7.81 177 H 8.70 5.31 0.00 3.12 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 W 8.31 4.41 0.00 3.54 3.09 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 0.00 0.00 0.00 0.00 179 E 7.27 4.15 0.00 1.35 1.59 0.00 0.00 0.00 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 1.81 0.00 180 F 5.46 3.05 0.00 3.18 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 0.00 181 D 7.23 4.44 0.00 2.65 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 * Residues marked with a * may have inaccurate shift predictions.