NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5199 8.2827 119.2080 53.2262 40.3375 172.7168 *4 L 4.3374 7.9980 125.0204 54.9617 44.0027 175.3039 5 V 4.8004 8.2277 123.5455 61.1052 34.9585 174.1208 6 I 4.7952 8.4742 128.1588 59.5369 40.0271 174.5877 7 N 4.6330 9.1650 128.3267 52.4496 38.4570 175.7123 8 G 3.7918 8.9319 114.7324 48.1850 0.0000 171.8170 9 T 4.2668 7.9362 116.7606 60.7684 68.0800 172.6885 10 P 4.7157 0.0000 0.0000 65.0557 32.1484 176.8220 11 R 4.2367 8.0394 118.8965 56.0321 30.1520 177.6574 12 K 4.1325 9.0552 122.7809 58.6109 32.3342 177.4283 13 H 4.8006 8.1214 112.5293 55.1062 28.9829 175.0304 14 G 3.9353 7.6069 109.6500 45.0187 0.0000 175.5538 15 R 3.9421 8.6924 121.3502 59.6366 29.9723 179.4884 16 T 3.8989 7.9730 114.8118 66.4104 68.3009 176.3673 17 R 3.8714 7.9399 120.7255 59.4612 30.1781 178.3608 18 I 3.6991 7.8687 118.8242 64.4504 37.1486 177.9540 19 A 4.0163 7.9418 120.8370 55.2935 18.2987 179.4987 20 A 3.9844 8.2982 119.5234 55.4873 18.2370 179.8464 21 S 4.1144 8.8730 111.9418 61.3255 62.3494 175.9172 22 Y 4.0956 8.1551 122.4751 60.6897 38.6602 177.5419 23 I 3.6558 8.0759 120.4840 64.3902 37.2645 178.1624 24 A 4.5551 8.3653 122.5211 54.6028 17.7376 179.5544 25 A 3.8823 7.6466 118.9979 55.2859 18.3403 179.6077 26 L 3.7479 7.6674 116.7985 57.0432 41.9277 176.9447 27 Y 4.2482 7.4484 113.8914 56.9631 39.7404 174.7473 28 H 4.2084 7.5093 115.7206 57.3198 26.6059 172.8574 29 T 4.6865 7.8090 110.3931 59.4825 72.8063 175.0519 30 D 4.8598 8.4195 121.1284 54.3806 42.9794 174.5746 31 L 4.9091 8.1456 123.1009 54.0410 45.2138 174.5544 32 I 4.1918 9.0020 128.2996 59.7064 39.3024 174.3412 33 D 4.8763 8.4680 128.4401 52.4067 42.0897 176.5686 34 L 4.5124 8.6541 124.3809 56.2241 41.3591 179.3957 35 S 5.0949 10.1927 118.8008 59.2502 63.5697 175.8147 36 E 4.3349 8.1775 116.4052 57.7325 31.1847 176.8376 37 F 4.3057 8.1846 122.5440 56.8795 37.5034 174.1049 38 V 3.9212 7.3969 121.5669 62.0568 32.4650 175.0977 39 L 4.6502 8.3785 126.5553 52.3057 44.3313 173.7958 40 P 4.7955 0.0000 0.0000 61.0652 32.9356 175.8500 41 V 3.7429 8.3052 119.5642 62.8088 31.8195 175.6470 42 F 4.1816 8.6609 129.8626 59.2593 39.7925 175.1617 43 N 4.5880 7.5189 118.8010 52.9591 39.0402 176.1209 44 G 3.7382 5.7425 109.6412 46.0373 0.0000 174.6621 45 E 3.8597 7.5406 119.6122 56.4774 30.0004 178.0400 46 A 4.1535 8.6092 126.4424 54.4138 18.7272 178.3008 47 E 4.3102 8.0754 111.9964 57.2152 30.3582 177.0839 48 Q 4.2956 7.9836 121.4680 57.8238 29.8707 177.4183 49 S 4.2562 7.7881 111.3556 60.5880 62.5123 173.7633 50 E 4.4443 8.0503 119.6568 55.8522 29.0606 174.6799 51 L 4.2979 8.2657 119.9365 54.4183 42.3821 178.7214 52 L 3.2003 7.1316 123.6548 55.2091 42.5704 178.3511 53 K 3.1401 7.2716 115.8624 60.0002 31.8768 178.7340 54 V 3.3582 7.5668 116.2018 66.4949 31.8859 178.7630 55 Q 4.0241 7.9883 117.0961 58.7336 28.5353 178.0918 56 E 3.9407 8.4038 120.5445 59.0831 29.6848 178.2134 57 L 4.0128 8.2133 119.8952 58.4631 42.1133 178.8425 58 K 3.8730 7.8777 117.9547 59.6470 32.1532 179.1247 59 Q 3.9725 7.9587 118.0186 59.2947 28.8446 179.3412 60 R 3.9085 8.8123 119.5374 59.3002 29.9218 179.4378 61 V 3.4833 7.8985 117.5061 65.8961 31.5402 177.4416 62 T 4.0022 7.6948 111.3501 63.5085 67.2988 176.3691 63 K 3.9915 7.5385 120.6203 58.7557 32.7313 176.9962 64 A 4.2420 6.8891 120.1085 53.0391 18.6750 176.9281 65 D 4.8497 9.1647 119.2828 54.0954 42.2189 176.4305 66 A 4.8489 7.3044 118.4259 51.0770 22.0883 175.8061 67 I 4.8529 8.9308 121.0860 59.5290 42.1132 174.8105 68 V 4.5536 8.7489 126.1654 61.2919 33.5874 174.1297 69 L 4.8151 8.9153 132.1963 53.7205 43.3312 175.1725 70 L 5.7439 8.0641 126.1768 52.7428 45.0789 175.5384 71 S 4.7660 8.0227 113.0341 57.0615 65.5508 172.7470 72 P 5.3209 0.0000 0.0000 61.1910 32.9717 174.5158 73 E 4.4948 8.4428 122.2042 55.3913 30.8221 174.8628 74 Y 4.8151 8.6107 124.6819 57.6860 40.7742 175.5269 75 H 4.4303 9.4917 123.0594 58.5930 26.1432 174.3451 76 S 4.1007 8.1253 105.8247 58.9738 62.9847 173.8115 77 G 4.1675 8.3246 111.7378 44.8613 0.0000 176.3524 *79 S 4.6908 9.1846 116.7528 57.7753 65.6028 174.0824 80 G 3.7234 8.8339 110.2760 47.9271 0.0000 175.6629 81 A 4.0936 8.1500 122.5040 55.2451 18.3943 179.3730 82 L 4.0286 8.1281 118.6592 57.7786 42.0407 179.0702 83 K 3.8864 8.1894 119.8573 59.3189 31.9632 178.0564 84 N 4.1970 8.3020 116.2609 57.0583 39.0675 175.8535 85 A 4.4002 7.9680 121.1171 55.9195 18.3659 179.3453 86 L 4.0449 8.4052 116.3522 58.2830 41.5828 179.6805 87 D 4.1556 8.0779 118.0189 57.2291 40.6407 178.6228 88 F 4.4054 8.2243 117.5062 59.8544 39.2467 175.1910 89 L 4.6756 8.0270 118.6900 54.0328 44.0226 174.3932 90 S 4.6107 8.3177 112.5552 58.1397 65.8209 175.3328 91 S 4.8808 8.5285 112.6027 59.4383 62.7796 175.8206 92 E 3.8412 8.3185 122.8535 59.6467 29.4003 177.8440 93 Q 4.1566 7.7648 114.8452 56.9590 29.3687 176.6246 94 F 4.7572 7.9586 115.1621 57.2163 40.6683 175.2702 95 K 4.0978 7.7705 121.2707 58.3089 31.9015 175.6472 96 Y 4.0577 9.0395 122.3722 58.5331 36.5536 169.5502 97 K 4.4029 8.5269 123.2616 55.3057 33.7003 174.4169 98 P 4.9130 0.0000 0.0000 62.7461 32.7082 175.4086 99 V 4.9774 8.4356 123.2613 61.0060 35.4448 173.6978 100 A 4.9890 9.0042 129.0337 50.1212 21.5824 175.3253 101 L 4.8370 8.3367 122.5520 53.9693 44.1437 175.8938 102 L 4.7147 8.4743 123.3463 54.1129 45.8025 173.9660 103 A 5.2038 8.9707 127.8924 50.0697 22.9147 175.2455 104 V 4.5931 8.7539 120.2266 61.4882 33.6748 174.7705 105 A 4.9306 8.2333 131.8493 50.5052 21.3469 176.9564 106 G 3.9574 8.9353 105.3845 45.1610 0.0000 172.9779 107 G 3.7839 9.4151 105.8155 44.8436 0.0000 174.1556 108 G 3.7831 8.1228 111.7386 47.0681 0.0000 173.9597 109 K 4.4680 8.6202 124.4321 55.8038 32.1863 176.5027 110 G 3.7647 7.7648 108.5277 46.2039 0.0000 173.7233 111 G 4.0402 9.0510 110.6474 46.1992 0.0000 176.7757 112 I 3.7845 7.9713 120.7551 64.2673 37.2088 177.9445 113 N 4.5213 8.2055 116.7172 56.0425 38.1598 177.1542 114 A 3.9893 8.0807 121.2568 54.9632 18.5816 179.2747 115 L 4.0362 7.3501 116.7185 58.0770 41.9955 179.1068 116 N 4.4742 8.6436 116.7969 56.0922 38.3368 176.8576 117 N 4.2091 7.9844 114.4523 55.0889 38.5791 175.9534 *119 R 4.1210 7.7803 119.5324 56.6971 31.9054 176.8091 120 T 3.9538 8.1950 113.6126 66.7801 68.6358 177.5149 121 V 3.6023 7.7939 119.2730 63.1717 30.8134 177.4209 *123 R 4.4091 8.1222 120.0333 55.4748 31.6430 177.5735 124 G 3.5874 8.3907 106.7439 48.1599 0.0000 174.7050 125 V 4.1615 7.6453 111.5419 60.8242 31.8353 175.5667 126 Y 3.3739 7.8034 118.7577 58.4525 37.4171 169.5367 127 A 4.7305 7.8752 119.5755 51.2480 20.0455 178.3148 128 N 4.8341 8.9048 117.4836 51.4720 38.7673 172.0493 129 V 3.9792 7.7732 121.0861 62.1164 32.3290 175.5315 130 I 3.2798 8.0158 122.0063 60.2222 37.9303 174.7745 131 P 4.1944 0.0000 0.0000 65.4046 31.4744 177.2287 132 K 3.8805 8.2504 118.9730 56.9896 32.4093 175.5728 133 Q 4.6922 8.1692 122.3619 54.9625 32.5070 173.4273 134 L 4.5765 8.1231 118.6760 53.8643 46.0117 173.9087 135 V 4.9007 8.3383 124.2627 61.0545 34.1717 174.2719 136 L 4.7531 8.9131 127.8666 53.3030 43.9683 176.2396 137 D 4.9842 8.7676 123.5536 52.1568 43.4627 175.6409 138 P 4.3396 0.0000 0.0000 65.7044 31.3316 179.0715 139 V 3.7742 7.6537 115.7392 63.6148 31.5756 175.9640 140 H 4.8711 8.1442 117.4281 55.7523 30.0705 174.0939 141 I 4.5415 7.5932 119.9499 59.5555 39.9563 175.7867 142 D 4.5675 8.8219 128.2633 52.4402 40.0276 176.7207 143 V 3.5884 8.3121 123.3838 65.6298 31.9269 177.8924 144 E 3.9665 8.2527 117.1488 59.1083 29.3151 177.8045 145 N 4.6925 8.0159 112.9498 52.0789 39.3135 174.9519 146 A 3.7333 8.4139 120.3566 52.3083 16.6274 175.2374 147 T 4.4291 6.9601 115.7699 62.0446 71.4176 172.8956 148 V 4.5613 7.9202 115.0938 59.6224 33.4046 176.2672 149 A 4.1761 8.4560 124.7460 51.8271 19.3656 178.9195 150 E 4.0050 8.8113 118.9207 59.3499 29.3616 179.3830 151 N 4.3682 8.2426 115.8187 55.2957 37.4625 175.7722 152 I 4.1753 7.2877 117.8325 61.0068 38.9286 177.1716 153 K 3.8841 7.6916 119.3499 60.0451 31.9702 178.3591 154 E 3.9928 8.2365 118.7306 59.4421 29.4912 178.8788 155 S 4.1294 8.0004 114.5544 61.8152 62.9478 176.6265 156 I 3.7511 7.7565 122.3084 63.9693 36.7215 178.4840 157 K 4.1476 8.0456 121.9257 59.2429 32.1453 178.7700 158 E 3.9924 8.2766 118.8051 59.3208 29.3130 178.9588 159 L 3.8794 8.0056 120.5274 58.2144 42.2791 179.1858 160 V 3.4968 8.0298 118.2120 65.9002 31.0850 177.9557 161 E 4.0806 8.0715 117.8522 59.0411 29.4107 178.3011 162 E 4.2281 8.0364 118.8157 58.7535 29.9925 178.2307 163 L 4.1574 8.0300 120.6978 58.0769 42.2112 179.8547 164 S 4.1974 8.0205 114.5079 59.2051 64.0385 176.7368 *166 F 4.3347 8.0872 121.0667 57.5645 40.5091 177.4277 167 A 4.1273 8.5420 120.7983 54.7226 18.2012 179.5169 168 K 4.1113 8.1153 116.8199 59.3221 32.3748 179.0933 169 A 4.0903 8.1311 118.9934 54.7431 18.0960 179.1404 170 G 4.0297 7.5804 104.0603 47.7102 0.0000 173.1402 171 N 4.5464 7.9423 122.0180 52.3929 37.6321 174.6103 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 N 8.28 4.52 0.00 2.80 2.85 0.00 0.00 6.67 5.78 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 *4 L 8.00 4.34 0.00 1.82 1.54 0.86 0.71 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 5 V 8.23 4.80 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 0.94 0.00 0.00 0.90 0.00 0.00 6 I 8.47 4.80 1.86 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 1.05 0.51 0.92 0.00 0.00 7 N 9.16 4.63 0.00 2.85 2.73 0.00 0.00 6.68 8.56 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 8 G 8.93 3.79 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 0.00 0.00 0.00 9 T 7.94 4.27 4.20 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 1.34 0.00 0.00 10 P 0.00 4.72 0.00 2.34 2.39 0.00 4.13 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 11 R 8.04 4.24 0.00 1.84 1.60 0.00 3.13 0.00 0.00 3.46 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 12 K 9.06 4.13 0.00 1.81 1.92 0.00 1.82 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.44 7.81 13 H 8.12 4.80 0.00 3.26 3.41 0.00 5.71 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 14 G 7.61 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 0.00 0.00 0.00 15 R 8.69 3.94 0.00 1.87 2.01 0.00 3.15 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 16 T 7.97 3.90 4.33 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 1.22 0.00 0.00 17 R 7.94 3.87 0.00 1.93 2.01 0.00 3.31 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 18 I 7.87 3.70 2.04 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 1.60 0.70 0.98 0.00 0.00 19 A 7.94 4.02 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 20 A 8.30 3.98 1.40 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 0.00 0.00 21 S 8.87 4.11 0.00 4.00 4.08 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 22 Y 8.16 4.10 0.00 3.15 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.08 3.66 1.91 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 1.69 1.37 0.81 0.00 0.00 24 A 8.37 4.56 1.40 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 0.00 0.00 25 A 7.65 3.88 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 26 L 7.67 3.75 0.00 1.08 1.39 0.64 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.45 4.25 0.00 3.08 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 28 H 7.51 4.21 0.00 3.30 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.81 4.69 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 1.28 0.00 0.00 30 D 8.42 4.86 0.00 2.75 2.56 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 0.00 0.00 0.00 31 L 8.15 4.91 0.00 1.63 1.48 0.99 0.98 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 32 I 9.00 4.19 1.67 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.43 0.19 0.00 0.00 33 D 8.47 4.88 0.00 2.75 2.60 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 34 L 8.65 4.51 0.00 1.97 1.74 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 35 S 10.19 5.09 0.00 3.83 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 36 E 8.18 4.33 0.00 2.08 2.10 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 2.26 2.73 0.00 37 F 8.18 4.31 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.40 3.92 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 0.88 0.00 0.00 0.97 0.00 0.00 39 L 8.38 4.65 0.00 1.78 1.57 1.14 0.77 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 40 P 0.00 4.80 0.00 2.26 2.08 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.99 0.00 41 V 8.31 3.74 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 0.86 0.00 0.00 1.00 0.00 0.00 42 F 8.66 4.18 0.00 2.44 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 43 N 7.52 4.59 0.00 2.76 2.84 0.00 0.00 6.04 6.95 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 44 G 5.74 3.74 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 0.00 0.00 0.00 45 E 7.54 3.86 0.00 1.97 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 2.42 2.43 0.00 46 A 8.61 4.15 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 47 E 8.08 4.31 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 48 Q 7.98 4.30 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.84 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 49 S 7.79 4.26 0.00 3.99 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 0.00 50 E 8.05 4.44 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 2.24 2.34 0.00 51 L 8.27 4.30 0.00 1.90 1.40 0.92 0.61 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 52 L 7.13 3.20 0.00 1.60 1.56 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.27 3.14 0.00 1.63 1.45 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 0.65 7.81 54 V 7.57 3.36 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 0.92 0.00 0.00 0.46 0.00 0.00 55 Q 7.99 4.02 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 56 E 8.40 3.94 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 2.39 2.37 0.00 57 L 8.21 4.01 0.00 2.04 1.93 0.73 0.78 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 58 K 7.88 3.87 0.00 1.79 1.85 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.26 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.81 7.81 59 Q 7.96 3.97 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 60 R 8.81 3.91 0.00 1.73 2.06 0.00 3.28 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 61 V 7.90 3.48 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 0.21 0.00 0.00 0.88 0.00 0.00 62 T 7.69 4.00 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 1.29 0.00 0.00 63 K 7.54 3.99 0.00 1.96 1.98 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.56 1.44 7.81 64 A 6.89 4.24 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 65 D 9.16 4.85 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 66 A 7.30 4.85 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 67 I 8.93 4.85 1.96 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 1.14 0.82 1.00 0.00 0.00 68 V 8.75 4.55 2.03 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 0.88 0.00 0.00 0.83 0.00 0.00 69 L 8.92 4.82 0.00 1.75 1.48 0.94 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 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3.67 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 80 G 8.83 3.72 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 0.00 0.00 0.00 81 A 8.15 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.13 4.03 0.00 1.78 1.79 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.19 3.89 0.00 1.92 1.93 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.44 7.81 84 N 8.30 4.20 0.00 2.97 3.13 0.00 0.00 7.22 7.58 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 85 A 7.97 4.40 1.53 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 86 L 8.41 4.04 0.00 1.85 1.76 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.08 4.16 0.00 2.27 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 131 P 0.00 4.19 0.00 2.03 2.11 0.00 3.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 132 K 8.25 3.88 0.00 1.69 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.37 7.81 133 Q 8.17 4.69 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.45 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 134 L 8.12 4.58 0.00 1.85 1.44 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.34 4.90 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 0.98 0.00 0.00 0.88 0.00 0.00 136 L 8.91 4.75 0.00 1.60 1.56 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.77 4.98 0.00 2.53 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 0.00 138 P 0.00 4.34 0.00 2.16 2.09 0.00 3.57 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 2.23 2.08 0.00 139 V 7.65 3.77 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 0.43 0.00 0.00 0.86 0.00 0.00 140 H 8.14 4.87 0.00 3.27 3.28 0.00 5.57 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.59 4.54 1.86 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 1.27 0.88 0.91 0.00 0.00 142 D 8.82 4.57 0.00 2.69 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 0.00 143 V 8.31 3.59 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 0.95 0.00 0.00 0.94 0.00 0.00 144 E 8.25 3.97 0.00 2.14 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 2.33 2.37 0.00 145 N 8.02 4.69 0.00 2.73 2.81 0.00 0.00 7.22 6.95 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 0.00 146 A 8.41 3.73 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 0.00 147 T 6.96 4.43 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 1.22 0.00 0.00 148 V 7.92 4.56 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 0.48 0.00 0.00 0.01 0.00 0.00 149 A 8.46 4.18 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 0.00 150 E 8.81 4.00 0.00 1.98 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 2.39 2.30 0.00 151 N 8.24 4.37 0.00 2.90 2.98 0.00 0.00 5.82 7.81 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 0.00 152 I 7.29 4.18 1.76 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 1.37 1.19 0.93 0.00 0.00 153 K 7.69 3.88 0.00 1.86 1.95 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.68 7.81 154 E 8.24 3.99 0.00 2.09 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 2.39 2.57 0.00 155 S 8.00 4.13 0.00 4.07 3.87 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 0.00 156 I 7.76 3.75 2.17 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 1.06 0.00 0.00 157 K 8.05 4.15 0.00 2.07 2.03 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.74 1.47 7.81 158 E 8.28 3.99 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 2.35 2.34 0.00 159 L 8.01 3.88 0.00 1.86 1.77 0.91 0.69 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 0.00 160 V 8.03 3.50 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 0.34 0.00 0.00 0.53 0.00 0.00 161 E 8.07 4.08 0.00 2.27 2.03 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 2.39 2.39 0.00 162 E 8.04 4.23 0.00 2.12 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 2.52 2.63 0.00 163 L 8.03 4.16 0.00 1.77 1.80 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.02 4.20 0.00 4.08 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 *166 F 8.09 4.33 0.00 3.30 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 0.00 167 A 8.54 4.13 1.37 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 0.00 0.00 168 K 8.12 4.11 0.00 1.91 1.84 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.56 7.81 169 A 8.13 4.09 1.21 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 0.00 170 G 7.58 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 0.00 171 N 7.94 4.55 0.00 2.86 2.80 0.00 0.00 6.94 7.73 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 * Residues marked with a * may have inaccurate shift predictions.