NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2672 8.4444 121.4743 55.7248 30.8357 174.6953 3 K 4.3941 8.4588 126.0420 55.7096 33.3568 174.3660 4 I 4.9407 9.5607 128.3042 58.5620 41.5190 173.8217 5 L 5.2011 8.4731 124.2937 53.1600 44.4939 175.1878 6 I 4.8719 8.4201 125.1880 59.4882 39.7089 174.8068 7 F 5.1817 7.5935 119.9487 57.0566 41.4451 174.4247 8 G 4.8885 8.4892 109.7195 42.7547 0.0000 172.5446 9 H 4.5281 7.6885 116.8717 54.5518 29.7716 174.6819 10 Q 4.1498 8.3638 119.0904 55.9135 29.5936 175.8051 11 N 4.1272 8.6871 114.4965 53.0797 35.8152 173.7541 12 P 4.0189 0.0000 0.0000 63.6790 32.0465 176.9778 13 D 4.8156 8.3408 122.7553 52.1412 42.7153 177.3388 14 T 3.9523 8.3110 115.4939 66.4390 68.2037 176.4914 15 D 4.2770 8.0224 119.7768 57.8191 41.0953 178.0114 16 T 3.9322 8.9603 116.6440 66.6771 68.4744 176.5858 17 I 3.7123 7.7401 121.3549 64.4295 37.3801 178.1008 18 C 4.1663 8.2806 117.5716 63.1262 28.0525 176.4182 19 S 4.1228 8.5670 116.8589 61.4530 62.3566 176.7053 20 A 4.0378 7.6060 123.1443 55.3003 18.2440 179.7666 21 I 3.6798 7.7218 117.6296 64.3475 37.1665 178.4530 22 A 4.0706 8.7171 121.9476 55.6342 18.3289 179.1718 23 Y 4.2874 8.7107 118.0636 60.6583 38.7254 177.8074 24 A 3.8338 8.1283 121.9576 55.0330 18.4570 178.9960 25 D 4.2329 8.0660 116.2834 57.4168 41.1732 177.8840 26 L 3.7533 7.5999 119.4895 58.2203 42.2511 178.8086 27 K 3.7798 8.0677 118.1831 59.6022 31.9176 179.0142 28 N 4.6695 8.2353 118.1233 55.8338 38.2982 177.6127 29 K 4.1420 8.4704 118.5905 58.4278 32.0683 178.1961 30 L 4.6517 7.7010 118.1145 54.1528 41.8154 176.8445 31 G 3.6461 8.3847 106.9450 45.6685 0.0000 173.5396 32 F 4.6112 7.9537 118.3223 55.5564 41.7106 174.2530 33 N 5.1880 8.5391 119.2810 51.5149 38.6431 172.2554 34 A 5.3144 9.8101 124.2059 49.4174 22.5776 175.1075 35 E 4.6465 8.6088 120.1008 53.6553 32.9830 173.2660 36 P 5.0002 0.0000 0.0000 62.7598 32.0280 175.9120 37 V 4.8349 9.2642 123.3696 61.2961 35.7471 173.9650 38 R 4.7951 8.8288 121.9550 54.4548 32.5382 176.1848 39 L 4.7030 8.2678 118.2440 54.3614 42.5831 176.5027 40 G 4.0586 7.1824 106.2837 45.2216 0.0000 172.8858 41 Q 4.1166 8.4914 118.4069 55.4890 29.3659 175.9979 42 V 3.8785 8.2026 122.3193 62.0936 32.1211 176.2581 43 N 4.8165 8.6331 125.4998 52.0078 39.6538 175.8844 44 G 3.8160 8.6733 107.3914 48.1320 0.0000 175.2036 45 E 3.9270 8.2526 120.8845 59.4020 29.7369 178.6913 46 T 3.9554 8.5456 115.8586 67.1239 68.6052 175.9462 47 Q 4.0002 8.4515 119.8239 59.6145 28.7391 178.7048 48 Y 4.1436 8.4911 119.6772 61.1944 38.8035 178.7103 49 A 4.9217 8.0082 121.6543 54.7382 18.5610 179.6218 50 L 4.0562 8.1673 117.5631 58.0525 41.6455 179.5666 51 D 4.2692 8.6535 119.0910 57.6447 40.6234 177.9301 52 Y 3.6052 7.8862 118.8868 60.0844 38.6162 177.5421 53 F 4.7041 8.1164 116.1672 56.4202 41.4753 176.4311 54 K 3.8346 7.7753 115.0327 57.8034 29.6981 174.6556 55 Q 4.6436 8.6132 116.5229 53.5311 32.3447 175.9862 56 E 4.0232 8.7131 123.4548 55.7406 30.3531 176.1853 57 S 4.2069 8.6135 121.0056 57.3492 62.7620 171.7085 58 P 4.3384 0.0000 0.0000 63.2169 31.5962 176.0328 59 R 3.9651 8.7425 122.2095 56.9793 30.9525 175.2511 60 L 4.7213 8.4782 127.9868 55.2128 42.9917 175.9294 61 V 4.4862 8.1955 123.4056 61.6659 34.3008 174.4492 62 E 4.5016 8.8909 124.5444 57.1792 31.4190 176.2089 63 T 4.7831 7.4777 105.6268 60.2725 71.8848 172.8999 64 A 4.5508 9.3005 124.2878 52.9420 21.3154 178.5454 65 A 4.0711 9.0828 119.0663 55.5711 18.3416 178.7899 66 N 4.5371 8.1651 110.9066 54.8331 37.8129 175.4608 67 E 4.4604 8.5295 118.0255 57.1967 31.1304 175.6733 68 V 4.6117 7.4060 108.8468 60.1727 36.0159 173.9457 69 N 4.9438 8.7214 114.6472 53.5229 40.8383 175.5287 70 G 4.5000 8.0336 104.8988 44.4048 0.0000 172.1463 71 V 4.8261 8.8817 115.4095 59.3395 36.9233 174.4754 72 I 4.8505 8.3516 122.3073 59.6157 40.2624 174.7741 73 L 4.6565 8.4259 127.3079 53.5222 43.5261 176.2199 74 V 4.5966 7.9829 115.7526 60.2135 35.5992 175.6589 75 D 4.5095 9.1963 121.2176 54.0214 40.2314 172.4485 76 H 4.4877 7.6168 110.8157 55.7046 30.2516 172.7098 77 N 4.6753 8.4037 112.9643 53.4378 42.5749 175.0405 78 E 4.7277 8.0849 119.0955 55.6704 30.4563 177.1760 79 R 4.0523 9.0212 123.9439 59.8371 30.4233 178.8681 80 Q 4.1272 8.3008 114.5458 59.2565 28.9741 178.4313 81 Q 4.1104 8.1579 115.2130 57.3443 29.1197 176.0091 82 S 4.7981 8.0204 113.1423 56.2972 63.9386 172.6863 83 I 3.7020 8.3591 121.8838 60.8201 38.0560 175.7527 84 K 4.1103 8.5962 124.2761 59.4517 32.2885 178.3526 85 D 4.8843 7.7526 117.4567 53.1979 40.2303 178.2818 86 I 3.7550 7.9344 122.4916 65.1389 38.3012 177.1503 87 E 3.9990 8.2252 119.8856 58.6262 29.5772 176.7673 88 E 4.5016 8.1099 116.5436 56.0934 29.5672 175.5308 89 V 4.5398 7.4354 111.7739 59.6089 35.8703 174.2000 90 Q 4.4516 8.6655 122.4571 54.7217 30.4463 174.7830 91 V 4.1880 8.4941 127.0660 62.6617 31.0596 175.3698 92 L 4.3799 9.3352 130.7662 57.6825 42.7545 177.0801 93 E 5.1082 7.7422 113.7857 55.6288 32.8983 174.6338 94 V 4.6676 8.4096 119.8890 61.1910 35.2113 173.9587 95 I 4.5719 8.4728 128.6779 59.7719 39.6785 174.0742 96 D 5.0935 8.4021 126.0330 53.0066 45.5881 175.1921 97 H 5.0036 8.4679 111.9206 55.1098 28.8743 172.1575 98 H 4.9021 8.3223 117.1701 54.0303 31.8681 173.3669 99 R 4.1321 8.3932 116.7511 56.6211 29.7094 175.7064 100 I 4.5499 7.8319 118.7797 59.6810 38.8391 175.1998 101 A 4.4765 9.1348 125.8162 52.0735 22.6187 174.9508 102 N 4.4326 8.7593 114.0320 53.8294 36.4337 174.1356 103 F 5.1241 7.6599 116.3661 56.8481 42.9825 172.5916 104 E 4.4420 6.6646 123.6977 55.5470 32.0606 174.7825 105 T 4.4818 7.9770 113.5372 59.7347 71.7847 173.7665 106 A 4.1633 8.5083 125.6159 53.4293 19.2829 176.7641 107 E 4.7089 7.6392 114.2998 53.2862 32.7465 173.0347 108 P 4.5657 0.0000 0.0000 62.4875 32.0334 174.8997 109 L 4.3507 7.7625 118.3887 55.8810 43.0935 174.3733 110 Y 4.3959 8.4274 121.3916 56.6851 38.3475 171.8669 111 Y 4.7169 8.0805 125.5815 55.5513 40.7908 174.6462 112 R 4.4176 8.7357 126.7222 54.6392 32.5222 172.9663 113 A 5.7887 8.5590 126.8383 49.2612 21.3586 174.9675 114 E 4.7271 8.4451 118.9253 53.1987 34.3022 174.7891 115 P 4.3459 0.0000 0.0000 62.9349 30.8428 176.0785 116 V 4.3386 7.4587 110.8428 59.6519 34.3464 176.4407 117 G 3.9064 9.0227 108.4001 46.2548 0.0000 173.5038 118 C 4.5625 7.3264 116.9655 57.7895 35.2875 174.7147 119 T 3.8230 8.9091 123.4493 66.7885 67.8952 176.7734 120 A 4.1148 7.5364 122.6559 55.4486 17.8206 179.6248 121 T 3.8208 7.7000 114.1113 66.8712 68.4792 176.8793 122 I 3.7161 7.5683 120.9987 64.3123 37.1089 177.9448 123 L 3.8767 7.3910 118.0400 58.1455 41.3171 178.6649 124 N 4.5841 8.5504 116.9372 56.6997 38.6227 177.1203 125 K 4.1010 7.9688 117.3537 57.2105 31.9694 178.4993 *127 Y 4.4388 8.0659 118.0660 58.1630 39.8921 177.9123 128 K 4.1275 7.8640 118.1570 59.4357 32.3979 179.3580 129 E 3.9996 8.6042 118.2353 59.1391 29.3822 177.5274 130 N 4.6384 8.1773 112.7888 52.1558 39.1172 174.6501 131 N 4.0900 7.8397 114.2084 54.2768 37.1531 171.8754 132 V 4.4306 8.3082 116.7149 60.0201 34.7359 175.0959 133 K 4.0433 8.7641 128.5805 56.4673 32.7071 175.8242 134 I 3.8882 7.9605 126.5805 59.7594 37.8678 176.2088 135 E 4.0184 8.5666 125.8771 55.8623 30.7380 177.3412 136 K 3.7862 8.7721 124.9647 60.0591 31.9525 177.9844 137 E 4.1418 8.3134 116.6359 60.0223 29.7278 179.2563 138 I 3.7664 7.6435 111.8391 63.7698 37.6697 177.4590 139 A 3.8975 7.8168 121.9712 55.1379 18.3451 179.5532 140 G 2.1453 7.2301 103.8717 47.1338 0.0000 176.5589 141 L 4.0336 6.9938 117.9287 55.0976 41.2663 178.6979 *143 L 4.2055 8.0173 122.9690 55.3338 43.9531 178.8631 144 S 4.3186 8.5508 114.6993 61.7100 62.7275 176.2818 145 A 3.9989 8.2542 123.5298 55.4317 18.0168 179.6454 146 I 3.6014 7.7120 117.3749 64.6138 37.2751 178.2037 147 I 3.2893 7.7508 120.5465 64.4941 36.6372 178.0226 148 S 4.0073 8.4790 113.7766 61.9284 62.3315 176.2195 149 D 4.5039 8.5572 121.8405 56.5567 40.4794 177.8435 150 S 4.5540 8.3926 113.2474 56.8352 64.0881 173.8895 151 L 3.4607 8.2724 120.8011 56.2733 39.7795 174.0961 152 L 3.0348 8.0435 112.7321 56.2472 40.8901 174.5168 153 F 4.0283 7.3826 112.9184 58.1876 37.5350 176.7033 154 K 4.3128 7.6468 119.7129 57.1430 32.9049 177.3846 155 S 4.2687 8.2263 115.2939 57.3547 62.7517 173.2639 156 P 4.3914 0.0000 0.0000 65.2460 31.2480 177.2227 157 T 4.2346 7.5535 107.8322 62.3495 69.5253 174.8873 158 C 4.2161 7.5579 122.3393 60.1865 32.2185 173.0757 159 T 4.7968 8.1686 119.8635 60.9772 73.5177 174.9084 160 D 4.3625 8.6545 122.0287 57.7351 40.7490 179.3690 161 Q 4.0271 7.9899 118.2458 58.7941 28.7757 178.0064 162 D 4.4648 7.8764 120.8281 56.8491 40.9992 178.8567 163 V 3.3780 8.0278 118.5600 65.9525 31.5883 177.9992 164 A 3.9654 8.1466 120.2930 54.8724 18.0657 179.5549 165 A 3.9250 8.2259 119.3575 55.1322 18.4930 179.6985 166 A 3.9897 8.4236 119.7102 55.2361 18.4100 179.8159 167 K 3.8220 8.0474 116.9891 59.7048 31.9890 179.0894 168 E 3.9296 8.0466 119.1123 59.2868 29.5095 178.9041 169 L 3.9216 8.1924 118.9425 57.7918 41.6422 179.1886 170 A 4.0031 8.5016 121.0853 55.1170 18.0911 179.4448 171 E 3.8442 7.9671 117.8387 59.5650 29.5994 178.9115 172 I 3.6611 7.1845 118.1241 64.4193 37.3459 177.7574 173 A 4.2657 8.2984 118.6913 51.7044 19.4384 177.0210 174 G 3.8737 8.1484 105.8577 45.9789 0.0000 172.0199 175 V 4.3742 8.1826 116.2463 60.7746 35.6997 173.4237 176 D 4.8192 8.4389 120.1293 53.6059 42.2005 175.6701 177 A 3.8301 8.7142 127.1531 56.1669 18.7069 178.4382 178 E 3.9791 8.2871 113.9443 59.0382 29.7803 178.9852 179 E 3.8945 8.2146 119.7502 59.2634 29.9753 177.8408 180 Y 4.1288 8.6042 119.8953 60.5502 38.6604 178.2200 181 G 3.6196 8.1925 105.7223 47.9518 0.0000 174.9767 182 L 4.0784 7.7438 121.8481 57.3176 41.6010 179.7326 183 N 3.9777 7.2626 111.9203 54.5831 38.7168 176.5844 *185 L 4.1137 7.9791 120.1837 54.8030 43.6444 179.2632 186 K 3.8280 8.2552 118.0289 59.3680 31.7855 178.9674 187 A 4.1573 7.6297 118.7184 54.2803 18.2699 178.9458 188 G 3.5659 7.8005 103.4781 46.8092 0.0000 173.9447 189 A 4.3994 7.7360 121.6420 50.4612 20.4494 176.5956 190 D 4.5871 7.8405 114.6078 54.2525 40.3774 175.4438 191 L 4.1041 7.3866 118.5655 57.5942 41.8160 180.7215 192 S 4.5281 7.3623 110.5916 57.7201 61.8144 175.5005 193 K 4.2260 9.0047 116.7552 58.6632 36.4906 176.1008 *216 I 3.7268 7.5830 119.3815 61.0648 36.8878 175.0190 217 A 4.4963 8.0696 127.7359 51.3070 21.0751 175.4181 218 Q 4.4354 8.0846 115.5794 55.8084 32.0562 173.5326 219 V 4.4117 8.1757 126.3085 61.5632 35.1914 173.7480 220 N 5.1778 8.3265 118.8447 52.3599 41.8301 174.2110 221 T 4.7267 9.0590 118.4903 60.2839 71.1812 175.1364 222 V 3.5911 8.4808 124.5633 63.4930 31.7043 176.0266 223 D 4.7737 7.6907 120.0566 51.8137 43.3568 176.0916 224 I 3.8243 8.3556 127.8367 64.0750 37.5155 177.7099 225 E 3.8893 7.7234 117.7270 59.5164 29.5040 177.9155 226 D 4.5893 8.0960 117.8380 56.7424 41.9664 177.9082 227 V 4.2160 7.1955 120.2078 62.0471 31.9026 175.1127 *252 L 4.0993 8.3157 118.6392 55.0641 42.9808 177.6979 253 V 4.4988 7.9959 117.8502 59.5287 32.2578 172.9303 254 I 3.6225 7.6666 122.1158 60.9192 38.2047 174.9583 255 T 4.4365 8.2643 124.2199 62.2846 70.3985 173.7679 256 D 5.2169 8.4764 126.3358 52.6794 41.7802 176.9666 257 I 3.6727 8.5899 121.4118 63.8324 37.6064 177.7960 258 L 4.1698 8.2624 122.1354 57.4161 41.9053 177.4451 259 E 4.2683 9.5429 115.8969 55.7322 29.8718 176.1401 260 N 4.2131 7.7024 115.8260 54.3322 36.9701 174.6880 261 D 4.6800 7.5811 115.8963 52.7876 43.7307 176.0987 262 S 4.7798 7.9699 122.2693 59.8379 63.5642 175.2879 *293 V 3.9755 7.4202 124.6140 62.5665 33.4805 175.8362 294 S 4.4277 7.8621 112.3685 56.0387 63.1481 173.9482 295 R 3.9803 8.1187 122.6369 58.7701 28.7903 178.7356 296 K 4.1705 6.9960 117.4924 59.2861 32.3666 178.0723 297 K 4.1757 7.8137 119.4000 57.9153 32.4123 176.7442 298 Q 4.4060 7.7045 116.6196 56.8681 31.0384 177.6595 299 V 3.5700 7.7097 116.9080 66.3014 32.3955 179.0602 300 V 3.6756 9.0831 120.6160 65.2166 31.9896 176.2728 301 P 4.3193 0.0000 0.0000 65.5578 31.3488 178.7186 302 V 3.7193 7.5179 117.6431 63.9611 31.5175 176.9823 303 L 4.1507 7.2992 119.5251 56.8268 41.9357 177.7312 304 T 4.0978 7.2201 115.3131 66.3722 68.7927 175.7130 305 D 4.7331 7.7044 119.9570 53.9829 40.2795 176.4577 306 A 4.2994 7.8539 127.6194 53.4971 19.2706 176.7250 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 E 8.44 4.27 0.00 1.97 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 2.21 2.33 0.00 3 K 8.46 4.39 0.00 1.91 1.70 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.56 7.81 4 I 9.56 4.94 1.84 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 1.24 1.35 0.91 0.00 0.00 5 L 8.47 5.20 0.00 1.75 1.84 0.98 0.81 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 6 I 8.42 4.87 1.88 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.99 0.00 0.00 7 F 7.59 5.18 0.00 3.19 3.24 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 0.00 8 G 8.49 4.89 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 0.00 0.00 0.00 9 H 7.69 4.53 0.00 3.30 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.36 4.15 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 11 N 8.69 4.13 0.00 2.87 2.86 0.00 0.00 6.90 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 12 P 0.00 4.02 0.00 2.16 2.07 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.89 0.00 13 D 8.34 4.82 0.00 2.96 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 14 T 8.31 3.95 4.27 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 1.29 0.00 0.00 15 D 8.02 4.28 0.00 2.86 2.84 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 0.00 0.00 0.00 16 T 8.96 3.93 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 17 I 7.74 3.71 1.90 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 1.70 1.31 0.95 0.00 0.00 18 C 8.28 4.17 0.00 3.06 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 0.00 19 S 8.57 4.12 0.00 3.99 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 20 A 7.61 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.72 3.68 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.13 0.95 0.00 0.00 22 A 8.72 4.07 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 23 Y 8.71 4.29 0.00 2.99 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 24 A 8.13 3.83 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 25 D 8.07 4.23 0.00 2.86 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 26 L 7.60 3.75 0.00 1.30 1.56 0.75 0.54 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 27 K 8.07 3.78 0.00 1.62 1.59 0.00 0.84 0.00 0.00 0.91 0.00 0.00 2.36 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.30 0.89 7.81 28 N 8.24 4.67 0.00 2.85 2.88 0.00 0.00 6.57 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 29 K 8.47 4.14 0.00 1.84 1.91 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.71 1.72 7.81 30 L 7.70 4.65 0.00 1.97 1.85 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.38 3.65 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 0.00 0.00 0.00 32 F 7.95 4.61 0.00 3.15 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 33 N 8.54 5.19 0.00 2.82 2.88 0.00 0.00 6.56 8.41 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 34 A 9.81 5.31 1.09 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 0.00 0.00 35 E 8.61 4.65 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 36 P 0.00 5.00 0.00 2.02 2.10 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 37 V 9.26 4.83 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 1.03 0.00 0.00 1.04 0.00 0.00 38 R 8.83 4.80 0.00 1.91 2.01 0.00 2.79 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 39 L 8.27 4.70 0.00 1.56 1.59 0.90 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.18 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.49 4.12 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 42 V 8.20 3.88 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 0.85 0.00 0.00 0.95 0.00 0.00 43 N 8.63 4.82 0.00 3.05 2.95 0.00 0.00 6.09 6.93 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 44 G 8.67 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.25 3.93 0.00 2.04 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 0.00 2.36 2.35 0.00 46 T 8.55 3.96 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 47 Q 8.45 4.00 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 48 Y 8.49 4.14 0.00 3.11 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 49 A 8.01 4.92 1.64 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 0.00 0.00 50 L 8.17 4.06 0.00 1.94 1.97 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.65 4.27 0.00 2.56 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 52 Y 7.89 3.61 0.00 2.59 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.12 4.70 0.00 3.23 3.08 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 54 K 7.78 3.83 0.00 1.82 1.78 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.29 7.81 55 Q 8.61 4.64 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 56 E 8.71 4.02 0.00 1.92 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 2.31 2.37 0.00 57 S 8.61 4.21 0.00 3.90 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 58 P 0.00 4.34 0.00 2.15 2.11 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 59 R 8.74 3.97 0.00 1.93 1.88 0.00 3.18 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 60 L 8.48 4.72 0.00 1.67 1.53 0.95 0.86 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 61 V 8.20 4.49 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 0.74 0.00 0.00 0.95 0.00 0.00 62 E 8.89 4.50 0.00 1.94 1.92 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 2.18 2.23 0.00 63 T 7.48 4.78 4.38 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 1.19 0.00 0.00 64 A 9.30 4.55 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 65 A 9.08 4.07 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 66 N 8.17 4.54 0.00 2.83 2.97 0.00 0.00 5.89 7.66 0.00 0.00 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 E 8.53 4.46 0.00 2.03 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 2.26 2.25 0.00 68 V 7.41 4.61 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 0.80 0.00 0.00 1.04 0.00 0.00 69 N 8.72 4.94 0.00 2.89 2.84 0.00 0.00 7.09 7.46 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 70 G 8.03 4.50 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 0.00 0.00 0.00 71 V 8.88 4.83 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 0.97 0.00 0.00 72 I 8.35 4.85 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.20 1.03 0.00 0.00 73 L 8.43 4.66 0.00 1.32 1.19 0.86 0.22 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 74 V 7.98 4.60 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 0.73 0.00 0.00 1.01 0.00 0.00 75 D 9.20 4.51 0.00 2.85 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 76 H 7.62 4.49 0.00 3.35 3.22 0.00 5.60 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 77 N 8.40 4.68 0.00 1.98 2.51 0.00 0.00 6.04 7.66 0.00 0.00 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 E 8.08 4.73 0.00 2.09 2.36 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 2.69 2.32 0.00 79 R 9.02 4.05 0.00 1.93 2.07 0.00 3.18 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.01 0.00 80 Q 8.30 4.13 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.08 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 81 Q 8.16 4.11 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 82 S 8.02 4.80 0.00 4.00 4.02 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 83 I 8.36 3.70 1.53 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 1.08 0.00 0.00 84 K 8.60 4.11 0.00 1.73 1.92 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.43 7.81 85 D 7.75 4.88 0.00 2.87 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 86 I 7.93 3.76 2.12 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.31 1.03 0.00 0.00 87 E 8.23 4.00 0.00 1.97 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 2.30 2.40 0.00 88 E 8.11 4.50 0.00 2.17 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 2.30 2.28 0.00 89 V 7.44 4.54 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 0.73 0.00 0.00 1.09 0.00 0.00 90 Q 8.67 4.45 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 91 V 8.49 4.19 2.26 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 0.99 0.00 0.00 1.10 0.00 0.00 92 L 9.34 4.38 0.00 1.82 1.68 1.02 0.65 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 93 E 7.74 5.11 0.00 2.21 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 0.00 2.23 2.30 0.00 94 V 8.41 4.67 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 0.00 0.00 0.36 0.00 0.00 0.62 0.00 0.00 95 I 8.47 4.57 1.58 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 0.79 -0.04 0.66 0.00 0.00 96 D 8.40 5.09 0.00 2.52 2.29 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 97 H 8.47 5.00 0.00 3.40 3.22 0.00 5.32 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 98 H 8.32 4.90 0.00 3.14 3.23 0.00 5.86 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 99 R 8.39 4.13 0.00 1.92 1.96 0.00 3.00 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 100 I 7.83 4.55 1.83 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.89 0.00 0.00 101 A 9.13 4.48 1.25 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 0.00 0.00 102 N 8.76 4.43 0.00 3.01 2.90 0.00 0.00 6.22 8.13 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 0.00 103 F 7.66 5.12 0.00 3.18 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 0.00 104 E 6.66 4.44 0.00 1.76 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 2.00 2.11 0.00 105 T 7.98 4.48 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 1.03 0.00 0.00 106 A 8.51 4.16 1.27 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 0.00 0.00 107 E 7.64 4.71 0.00 1.88 1.83 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 2.18 2.36 0.00 108 P 0.00 4.57 0.00 2.12 2.02 0.00 3.79 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 2.04 2.08 0.00 109 L 7.76 4.35 0.00 1.94 1.70 1.10 0.80 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 0.00 110 Y 8.43 4.40 0.00 3.09 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 0.00 111 Y 8.08 4.72 0.00 3.04 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 0.00 112 R 8.74 4.42 0.00 1.36 1.57 0.00 3.02 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 113 A 8.56 5.79 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 0.00 114 E 8.45 4.73 0.00 1.86 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 115 P 0.00 4.35 0.00 2.04 2.05 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 116 V 7.46 4.34 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 0.71 0.00 0.00 1.00 0.00 0.00 117 G 9.02 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 0.00 0.00 0.00 118 C 7.33 4.56 0.00 2.92 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.91 3.82 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 1.20 0.00 0.00 120 A 7.54 4.11 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 0.00 121 T 7.70 3.82 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 1.24 0.00 0.00 122 I 7.57 3.72 1.94 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 1.60 0.79 0.84 0.00 0.00 123 L 7.39 3.88 0.00 1.88 1.88 1.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.55 4.58 0.00 2.83 3.06 0.00 0.00 7.30 6.37 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 0.00 125 K 7.97 4.10 0.00 2.09 1.82 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.60 7.81 *127 Y 8.07 4.44 0.00 3.30 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 0.00 128 K 7.86 4.13 0.00 2.01 1.90 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.71 7.81 129 E 8.60 4.00 0.00 1.95 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 0.00 2.37 2.53 0.00 130 N 8.18 4.64 0.00 2.68 2.83 0.00 0.00 7.01 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.84 4.09 0.00 2.80 2.79 0.00 0.00 6.77 7.14 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 0.00 132 V 8.31 4.43 2.28 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 1.02 0.00 0.00 1.01 0.00 0.00 133 K 8.76 4.04 0.00 1.77 1.72 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.45 7.81 134 I 7.96 3.89 1.63 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.23 0.56 0.00 0.00 135 E 8.57 4.02 0.00 1.98 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 2.40 2.37 0.00 136 K 8.77 3.79 0.00 1.82 1.87 0.00 1.80 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.82 7.81 137 E 8.31 4.14 0.00 1.99 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 2.37 2.38 0.00 138 I 7.64 3.77 1.84 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 1.65 0.62 0.92 0.00 0.00 139 A 7.82 3.90 1.23 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 0.00 0.00 140 G 7.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 6.99 4.03 0.00 1.80 1.65 0.93 0.31 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 *143 L 8.02 4.21 0.00 1.69 1.74 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.55 4.32 0.00 4.14 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 0.00 145 A 8.25 4.00 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 0.00 146 I 7.71 3.60 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.67 1.05 0.00 0.00 147 I 7.75 3.29 1.98 0.00 0.00 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 1.75 0.91 0.73 0.00 0.00 148 S 8.48 4.01 0.00 3.86 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 D 8.56 4.50 0.00 2.82 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 0.00 150 S 8.39 4.55 0.00 4.01 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 8.27 3.46 0.00 1.83 1.66 0.94 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.04 3.03 0.00 1.60 1.60 0.73 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 153 F 7.38 4.03 0.00 3.31 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 7.65 4.31 0.00 1.88 1.86 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.52 7.81 155 S 8.23 4.27 0.00 3.84 3.78 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 0.00 156 P 0.00 4.39 0.00 2.22 2.18 0.00 3.81 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 1.99 1.96 0.00 157 T 7.55 4.23 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 1.22 0.00 0.00 158 C 7.56 4.22 0.00 3.05 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 0.00 159 T 8.17 4.80 4.57 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 1.23 0.00 0.00 160 D 8.65 4.36 0.00 2.67 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 0.00 161 Q 7.99 4.03 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 162 D 7.88 4.46 0.00 2.95 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 0.00 163 V 8.03 3.38 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 0.60 0.00 0.00 0.84 0.00 0.00 164 A 8.15 3.97 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 0.00 165 A 8.23 3.93 1.43 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 0.00 0.00 166 A 8.42 3.99 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 0.00 0.00 0.00 0.00 0.00 167 K 8.05 3.82 0.00 2.07 1.85 0.00 1.49 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.47 7.81 168 E 8.05 3.93 0.00 2.19 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 0.00 2.29 2.34 0.00 169 L 8.19 3.92 0.00 1.84 1.62 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 170 A 8.50 4.00 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 0.00 171 E 7.97 3.84 0.00 2.00 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 0.00 2.30 2.35 0.00 172 I 7.18 3.66 1.95 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 1.42 0.81 0.85 0.00 0.00 173 A 8.30 4.27 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 0.00 174 G 8.15 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 0.00 0.00 0.00 175 V 8.18 4.37 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 0.75 0.00 0.00 1.04 0.00 0.00 176 D 8.44 4.82 0.00 2.82 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 0.00 177 A 8.71 3.83 1.48 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 0.00 178 E 8.29 3.98 0.00 2.23 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 0.00 2.43 2.38 0.00 179 E 8.21 3.89 0.00 2.34 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 0.00 2.43 2.40 0.00 180 Y 8.60 4.13 0.00 3.01 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 0.00 181 G 8.19 3.62 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 0.00 182 L 7.74 4.08 0.00 1.90 1.65 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 183 N 7.26 3.98 0.00 2.50 2.41 0.00 0.00 7.06 6.49 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 *185 L 7.98 4.11 0.00 1.79 1.63 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.26 3.83 0.00 1.76 1.74 0.00 1.56 0.00 0.00 1.57 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.55 7.81 187 A 7.63 4.16 1.20 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 0.00 0.00 188 G 7.80 3.57 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 0.00 189 A 7.74 4.40 1.28 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 0.00 0.00 0.00 190 D 7.84 4.59 0.00 2.84 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 0.00 191 L 7.39 4.10 0.00 1.85 1.72 0.96 0.78 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 0.00 192 S 7.36 4.53 0.00 4.03 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 0.00 193 K 9.00 4.23 0.00 1.67 1.81 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.40 7.81 *216 I 7.58 3.73 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 1.35 0.48 0.91 0.00 0.00 217 A 8.07 4.50 1.25 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 0.00 0.00 218 Q 8.08 4.44 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 219 V 8.18 4.41 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 0.94 0.00 0.00 0.92 0.00 0.00 220 N 8.33 5.18 0.00 2.58 2.66 0.00 0.00 6.52 7.54 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 0.00 221 T 9.06 4.73 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 1.27 0.00 0.00 222 V 8.48 3.59 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 0.68 0.00 0.00 0.86 0.00 0.00 223 D 7.69 4.77 0.00 2.69 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 I 8.36 3.82 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.74 0.90 0.00 0.00 225 E 7.72 3.89 0.00 1.94 2.59 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 2.32 2.33 0.00 226 D 8.10 4.59 0.00 2.86 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 0.00 227 V 7.20 4.22 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 0.76 0.00 0.00 0.92 0.00 0.00 *252 L 8.32 4.10 0.00 1.65 1.60 0.92 0.98 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 0.00 0.00 0.00 253 V 8.00 4.50 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 0.74 0.00 0.00 0.95 0.00 0.00 254 I 7.67 3.62 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 1.34 0.96 0.90 0.00 0.00 255 T 8.26 4.44 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 1.20 0.00 0.00 256 D 8.48 5.22 0.00 2.80 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 0.00 257 I 8.59 3.67 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.91 0.00 0.00 258 L 8.26 4.17 0.00 1.64 1.74 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 259 E 9.54 4.27 0.00 1.95 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 2.44 2.41 0.00 260 N 7.70 4.21 0.00 2.78 2.85 0.00 0.00 6.67 7.91 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 0.00 261 D 7.58 4.68 0.00 2.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 S 7.97 4.78 0.00 3.86 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 *293 V 7.42 3.98 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 0.80 0.00 0.00 0.97 0.00 0.00 294 S 7.86 4.43 0.00 3.86 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 0.00 295 R 8.12 3.98 0.00 2.09 2.20 0.00 2.88 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 296 K 7.00 4.17 0.00 1.86 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.57 7.81 297 K 7.81 4.18 0.00 1.74 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 298 Q 7.70 4.41 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 299 V 7.71 3.57 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 0.95 0.00 0.00 0.92 0.00 0.00 300 V 9.08 3.68 2.16 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 0.92 0.00 0.00 0.94 0.00 0.00 301 P 0.00 4.32 0.00 2.25 2.29 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.01 0.00 302 V 7.52 3.72 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 0.76 0.00 0.00 0.93 0.00 0.00 303 L 7.30 4.15 0.00 2.00 1.82 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 304 T 7.22 4.10 4.42 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 1.21 0.00 0.00 305 D 7.70 4.73 0.00 2.87 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 0.00 306 A 7.85 4.30 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 * Residues marked with a * may have inaccurate shift predictions.