NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2880 8.4449 121.4702 55.6388 30.8308 175.4153 4 K 4.1722 8.4085 124.7976 54.8777 33.1030 175.4355 5 T 4.4578 8.5723 111.2596 59.9300 71.9250 173.4892 6 C 4.9098 8.5099 118.0350 58.0673 38.6948 173.1828 7 D 4.9952 9.0302 121.7744 52.3299 43.7388 175.4279 8 L 4.7015 8.6391 123.8767 54.5798 42.4423 177.3615 9 V 3.8914 8.5344 122.8601 62.1697 32.3322 175.6578 10 G 4.1132 8.4535 116.5861 45.6346 0.0000 172.4158 *16 S 4.3990 7.7731 113.2432 57.9396 64.4599 175.7301 17 E 3.9088 8.1882 120.3843 59.3119 29.4357 178.2849 18 K 3.9348 8.0131 119.1757 59.5223 32.2350 178.4624 19 E 3.9124 8.0349 118.3572 59.2453 29.4898 178.8920 20 L 3.9906 8.0324 118.8037 57.8766 41.7580 179.4125 21 A 4.0035 8.1553 120.5613 55.0992 18.0348 179.7047 22 L 3.9111 7.4131 116.1953 58.0777 42.1267 179.3578 23 L 4.2526 8.3893 119.2589 57.7983 41.6176 179.7478 24 K 3.9868 8.4640 118.7569 59.6805 31.8086 179.6126 25 R 3.9754 7.7894 116.8290 58.6572 30.1600 178.1358 26 L 4.3527 7.6430 116.8797 55.0227 41.8861 178.3112 27 T 2.0000 7.2785 111.3838 63.9751 68.0567 174.0643 28 P 4.2548 0.0000 0.0000 64.1430 31.6523 177.3690 29 L 4.4892 8.0295 117.7053 55.4785 41.9204 178.3095 30 F 4.6889 8.0399 117.4159 59.9089 39.0622 176.9342 31 Q 4.0653 8.0537 116.8625 58.6552 28.7768 176.7621 32 K 3.9678 7.5671 117.0275 56.0547 32.6175 175.8926 33 S 4.3192 7.5347 114.1469 56.4576 65.3674 172.8112 34 F 4.8470 8.7781 125.5639 55.5967 41.2676 174.0951 35 E 5.5256 8.9797 123.7083 54.7131 33.1578 174.7829 36 S 4.8488 9.4402 119.3961 57.4676 66.2492 172.5126 37 T 5.2769 8.8268 123.5514 62.1055 70.6298 173.9662 38 V 4.5379 9.2700 118.5000 60.2446 36.5946 175.8993 39 G 4.2548 9.2530 107.6331 45.4353 0.0000 172.2939 40 Q 4.6390 8.0910 117.9587 53.4371 31.7693 174.4857 41 S 4.4410 8.6866 118.4335 58.6165 62.7403 171.7973 42 P 4.8216 0.0000 0.0000 62.9752 31.3535 175.6852 43 D 5.0115 8.1212 118.1107 54.7504 41.6557 176.4305 44 M 4.7762 7.8226 117.8514 55.4749 33.8636 175.6023 45 Y 5.0526 9.4023 118.9018 56.2802 42.8818 174.3053 46 S 5.2065 9.0188 116.2309 56.8054 66.1038 172.0854 47 Y 5.3181 9.4802 124.5752 56.2899 40.7255 174.6856 48 V 4.9708 8.8540 123.9061 61.1051 34.2768 173.8793 49 F 5.6086 9.4822 130.3818 56.6623 42.2621 174.0724 50 R 4.4330 8.4324 122.8148 54.4822 34.5491 175.1780 51 V 3.8920 8.1026 122.4482 62.5115 31.1282 176.3154 52 C 3.5307 8.8954 125.5867 57.2706 38.1084 173.2735 53 R 3.9582 6.7189 115.2515 53.7386 33.7360 174.7710 54 E 4.2982 8.6127 121.4207 56.9586 29.8592 176.4726 55 A 4.4927 9.1296 128.8454 52.4064 20.6496 177.0923 56 G 4.3868 7.8765 103.7299 44.6423 0.0000 173.4811 57 Q 4.4580 9.0048 117.6387 56.4333 30.4543 176.6991 58 H 4.9444 9.2278 113.6364 54.7838 30.5074 173.3565 59 S 4.4415 7.8598 114.7294 57.0804 64.8840 172.9943 60 S 4.8786 8.6327 122.2074 58.9701 63.6293 174.8401 61 G 3.3867 11.0202 113.0135 44.8117 0.0000 172.8955 62 A 4.2913 7.8583 123.8696 51.9925 19.2103 178.2901 63 G 3.9314 9.1239 110.4210 47.2086 0.0000 173.5460 64 L 5.3220 7.8066 122.5320 54.1052 45.6131 174.8323 65 V 4.9723 9.0263 119.2261 59.5533 35.8765 174.2122 66 Q 4.9176 9.3176 124.5250 54.4525 31.4885 174.1329 67 I 4.8409 8.8513 127.8337 59.4574 40.0575 174.5942 68 Q 3.5725 8.9653 130.1256 55.0376 29.1225 176.9755 69 K 3.9661 8.2167 127.7447 59.2982 32.5270 178.8969 70 S 4.1937 8.0499 113.0056 60.6817 62.8482 174.6571 71 N 4.6695 7.9137 114.5154 51.3003 37.8655 175.1331 72 G 3.7995 8.2760 106.8341 45.6834 0.0000 173.6694 73 K 3.9486 8.8683 122.8878 56.5725 33.1412 175.0708 74 E 4.9592 8.8069 128.8290 55.0952 31.1007 174.7372 75 T 4.6202 9.0696 124.4172 61.6389 71.5041 173.6886 76 V 4.0262 9.1284 127.5513 62.7400 32.1559 176.5874 77 V 3.6019 8.8322 128.8394 65.0435 33.0119 175.7982 78 G 4.4146 7.7176 104.0953 45.3553 0.0000 172.3965 79 R 5.2361 9.2325 121.7409 52.9609 32.6490 177.2057 80 F 3.9726 8.0293 117.1652 57.8153 38.0100 175.9374 81 N 4.6675 7.4073 117.8987 53.8309 38.3630 174.8698 82 E 4.7832 8.0679 118.3152 55.2035 29.6690 174.5741 83 T 5.2741 9.0076 118.8244 62.4825 71.5150 175.3392 84 Q 4.9953 8.9093 122.8247 54.3611 33.3704 174.0756 85 I 4.9298 8.1848 122.1501 59.6460 41.3898 174.0388 86 F 5.0655 9.2738 126.5828 55.7586 43.6260 173.3692 87 Q 4.6894 8.9200 122.6847 54.7354 30.4288 175.2308 88 G 2.2479 7.6300 118.2980 43.3476 0.0000 172.6339 89 S 4.1323 7.8149 113.0049 61.2358 63.2629 174.9992 90 N 5.0910 7.0359 118.8083 50.7969 37.4973 173.9291 91 W 5.3265 7.2451 114.4655 57.1854 31.7689 172.6405 92 I 5.2176 9.3495 120.8551 59.8246 40.8015 174.2859 93 M 5.0670 9.6448 126.9300 53.9397 34.3113 173.9917 94 L 5.0743 8.8508 128.8095 53.4724 44.8903 175.0424 95 I 5.1145 8.7809 125.9587 59.7356 41.4541 173.7575 96 Y 5.4579 9.0489 124.2598 56.6595 40.7992 175.5895 97 K 4.4329 9.0115 125.4462 55.1394 35.7543 176.7771 98 G 3.8921 8.7439 107.5450 47.2533 0.0000 174.2118 99 G 4.0496 7.7932 107.5521 44.0727 0.0000 174.0152 100 D 4.6778 8.7671 119.7576 53.9930 41.8133 176.7272 101 E 4.5377 8.6335 121.4169 57.0044 29.9026 176.8508 102 Y 4.0930 8.7207 121.5340 60.7813 37.9769 178.1046 103 D 4.6096 8.6765 117.8486 55.0259 39.8537 172.4438 104 N 5.2816 7.7103 117.8070 51.9954 39.0167 174.5167 105 H 4.3376 9.0942 111.1537 59.1564 28.5090 177.2633 106 C 4.1190 8.4490 116.9131 57.5729 41.3980 172.0234 107 G 3.7264 7.9137 105.0587 44.1416 0.0000 174.7600 108 R 5.2242 8.7073 121.9468 55.0413 31.4122 176.4374 109 E 4.3363 8.2518 118.1578 56.2946 31.1198 176.1071 110 Q 4.4620 8.5678 119.9575 55.6817 29.8137 176.4483 111 R 4.1989 8.3861 121.8499 56.6097 31.5243 175.8429 112 R 5.2636 8.5792 118.2304 54.6899 34.5024 174.2957 113 A 4.8792 9.3333 124.9588 50.2737 21.6520 175.7064 114 V 4.6654 8.5532 122.5874 60.9547 34.5717 174.3396 115 V 4.6860 8.8487 128.2287 61.2741 34.2749 173.8240 116 M 4.5060 9.2909 129.2881 54.5941 33.4823 175.0673 117 I 4.5001 9.1785 129.5400 60.0106 38.6511 175.4085 118 S 4.8782 8.9714 124.7597 57.7449 64.2835 173.4329 119 C 4.8625 8.8351 124.8829 57.0488 40.2328 172.9616 120 N 4.7770 8.8160 124.6306 52.9491 40.7466 175.1658 121 R 4.0214 8.7959 126.2491 58.5842 30.3617 177.3964 122 H 4.7331 8.4646 114.2087 56.1268 29.3823 174.9270 123 T 4.6521 7.2507 113.4680 60.5462 70.1866 174.0053 124 L 3.9447 8.7871 129.6256 57.7300 42.4857 177.2693 125 A 4.9609 7.5303 115.0036 52.5001 21.7547 174.4550 126 D 4.5173 8.5486 120.9991 54.2924 44.5620 174.1343 127 N 4.2845 8.5401 115.4116 54.2039 35.7565 174.2677 128 F 4.9978 8.2063 119.3693 57.9559 40.7494 174.8697 129 N 4.4237 8.0713 121.2230 51.0725 40.6405 172.2906 130 P 4.1645 0.0000 0.0000 63.0480 31.8106 175.7607 131 V 4.1187 8.3656 120.2700 63.5652 34.0312 175.6517 132 S 4.8533 7.0127 113.2440 56.5108 66.1651 172.4530 133 E 4.3023 8.4253 120.8166 56.3956 33.0480 174.1355 134 E 4.7130 7.3878 121.6768 54.5391 31.3540 174.3842 135 R 4.3729 9.5408 127.7239 55.4883 33.4349 175.2790 136 G 3.9482 8.3090 116.7723 46.5627 0.0000 176.0617 137 K 3.9457 8.7896 123.3480 58.4309 32.1022 176.8371 138 V 3.7640 8.0434 119.8207 62.7179 31.2009 175.1482 139 Q 5.1908 8.0757 126.7890 53.4285 28.6335 175.2641 140 D 4.4621 8.5241 117.8093 54.2547 41.9279 176.5145 141 C 3.8971 8.3002 115.7099 56.8821 35.3054 172.5806 142 F 5.1516 7.4429 118.0890 57.4970 42.9154 172.0889 143 Y 4.4289 8.2434 123.0206 56.0891 40.3852 174.0481 144 L 4.6681 7.4315 126.8428 52.8677 45.0056 175.3360 145 F 5.1093 9.2532 124.3402 55.4652 43.2169 173.7947 146 E 5.2896 8.5788 117.7262 55.3165 33.2724 174.1949 147 M 5.1767 8.3960 115.6608 55.8766 35.1288 173.0555 148 D 5.4592 8.5923 119.9949 53.2119 44.2949 175.5794 149 S 5.2143 8.6206 113.2989 57.6875 66.2198 176.6107 150 S 4.5106 8.8648 121.1201 60.3766 63.1082 176.1471 151 L 4.0832 7.7850 119.8549 56.5847 41.3935 177.3368 152 A 4.4981 7.8247 119.8780 52.0700 19.3011 177.5968 153 C 4.5788 7.8372 114.3635 56.5757 41.1780 174.1381 154 S 4.3543 8.4784 118.4769 58.6935 62.7400 174.0826 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 3 E 8.44 4.29 0.00 1.93 1.91 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 2.15 2.32 0.00 4 K 8.41 4.17 0.00 1.94 1.91 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.47 7.81 5 T 8.57 4.46 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 1.10 0.00 0.00 6 C 8.51 4.91 0.00 2.87 3.14 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 7 D 9.03 5.00 0.00 2.64 2.54 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 8 L 8.64 4.70 0.00 1.53 1.61 0.95 1.00 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 9 V 8.53 3.89 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 0.75 0.00 0.00 1.06 0.00 0.00 10 G 8.45 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 0.00 0.00 0.00 *16 S 7.77 4.40 0.00 3.91 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 17 E 8.19 3.91 0.00 2.13 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 18 K 8.01 3.93 0.00 1.88 1.81 0.00 1.80 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.55 7.81 19 E 8.03 3.91 0.00 2.02 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 2.37 2.34 0.00 20 L 8.03 3.99 0.00 1.97 1.74 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.16 4.00 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 22 L 7.41 3.91 0.00 1.76 1.74 0.96 1.48 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 23 L 8.39 4.25 0.00 1.86 1.88 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.46 3.99 0.00 2.11 1.85 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.53 7.81 25 R 7.79 3.98 0.00 2.00 1.99 0.00 3.14 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 26 L 7.64 4.35 0.00 2.06 1.86 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.28 2.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 28 P 0.00 4.25 0.00 1.98 2.09 0.00 3.60 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 29 L 8.03 4.49 0.00 1.93 1.92 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.04 4.69 0.00 2.93 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 31 Q 8.05 4.07 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 32 K 7.57 3.97 0.00 1.60 1.02 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.30 7.81 33 S 7.53 4.32 0.00 3.62 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 F 8.78 4.85 0.00 2.51 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.98 5.53 0.00 1.99 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 2.50 2.29 0.00 36 S 9.44 4.85 0.00 4.33 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 37 T 8.83 5.28 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 1.34 0.00 0.00 38 V 9.27 4.54 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.23 0.00 0.00 39 G 9.25 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 0.00 0.00 0.00 0.00 40 Q 8.09 4.64 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 41 S 8.69 4.44 0.00 3.87 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 42 P 0.00 4.82 0.00 2.20 2.10 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 43 D 8.12 5.01 0.00 2.71 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 44 M 7.82 4.78 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.71 0.00 45 Y 9.40 5.05 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.02 5.21 0.00 3.87 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 47 Y 9.48 5.32 0.00 3.28 3.01 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 0.00 0.00 0.00 48 V 8.85 4.97 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 0.95 0.00 0.00 0.99 0.00 0.00 49 F 9.48 5.61 0.00 2.65 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 0.00 0.00 0.00 50 R 8.43 4.43 0.00 1.70 1.51 0.00 3.08 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 51 V 8.10 3.89 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 1.20 0.00 0.00 0.84 0.00 0.00 52 C 8.90 3.53 0.00 1.68 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 6.72 3.96 0.00 1.43 1.51 0.00 3.32 0.00 0.00 2.81 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.51 0.00 54 E 8.61 4.30 0.00 2.03 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 0.00 2.31 2.40 0.00 55 A 9.13 4.49 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 56 G 7.88 4.39 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 0.00 57 Q 9.00 4.46 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.29 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 58 H 9.23 4.94 0.00 3.04 3.22 0.00 5.63 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.86 4.44 0.00 3.92 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 60 S 8.63 4.88 0.00 3.83 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 61 G 11.02 3.39 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 0.00 62 A 7.86 4.29 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 63 G 9.12 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 64 L 7.81 5.32 0.00 2.00 1.59 0.09 0.87 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 65 V 9.03 4.97 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 0.76 0.00 0.00 0.98 0.00 0.00 66 Q 9.32 4.92 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.32 1.87 0.00 67 I 8.85 4.84 1.85 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 1.12 0.66 0.88 0.00 0.00 68 Q 8.97 3.57 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.80 0.00 0.00 0.00 0.00 0.00 2.00 1.46 0.00 69 K 8.22 3.97 0.00 1.77 1.79 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.37 7.81 70 S 8.05 4.19 0.00 3.92 4.09 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 71 N 7.91 4.67 0.00 2.77 2.90 0.00 0.00 6.02 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.28 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 0.00 0.00 0.00 73 K 8.87 3.95 0.00 1.84 1.76 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.40 7.81 74 E 8.81 4.96 0.00 2.04 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 2.23 2.34 0.00 75 T 9.07 4.62 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 1.20 0.00 0.00 76 V 9.13 4.03 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 0.93 0.00 0.00 0.93 0.00 0.00 77 V 8.83 3.60 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 0.45 0.00 0.00 0.70 0.00 0.00 78 G 7.72 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 79 R 9.23 5.24 0.00 1.60 1.64 0.00 3.08 0.00 0.00 3.14 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 80 F 8.03 3.97 0.00 2.91 2.39 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 81 N 7.41 4.67 0.00 2.71 2.62 0.00 0.00 5.88 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 82 E 8.07 4.78 0.00 1.94 1.91 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 2.21 2.22 0.00 83 T 9.01 5.27 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 84 Q 8.91 5.00 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 85 I 8.18 4.93 1.80 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 1.19 0.87 0.84 0.00 0.00 86 F 9.27 5.07 0.00 3.27 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 87 Q 8.92 4.69 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 88 G 7.63 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 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.81 4.13 0.00 3.94 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 90 N 7.04 5.09 0.00 2.89 3.01 0.00 0.00 5.83 8.88 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 91 W 7.25 5.33 0.00 3.52 3.21 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 92 I 9.35 5.22 1.99 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 1.14 0.97 1.04 0.00 0.00 93 M 9.64 5.07 0.00 2.48 2.14 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 94 L 8.85 5.07 0.00 1.80 1.40 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.78 5.11 1.97 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.94 1.03 0.00 0.00 96 Y 9.05 5.46 0.00 2.93 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 97 K 9.01 4.43 0.00 1.87 1.86 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.49 7.81 98 G 8.74 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 0.00 0.00 0.00 99 G 7.79 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 0.00 100 D 8.77 4.68 0.00 2.52 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 0.00 101 E 8.63 4.54 0.00 1.99 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 0.00 2.35 2.35 0.00 102 Y 8.72 4.09 0.00 3.10 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 0.00 103 D 8.68 4.61 0.00 2.94 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 0.00 104 N 7.71 5.28 0.00 2.86 2.91 0.00 0.00 5.84 7.90 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 0.00 105 H 9.09 4.34 0.00 3.22 3.50 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 C 8.45 4.12 0.00 2.44 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 0.00 107 G 7.91 3.73 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 0.00 0.00 0.00 108 R 8.71 5.22 0.00 1.72 2.18 0.00 3.29 0.00 0.00 2.95 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.46 0.00 109 E 8.25 4.34 0.00 2.16 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 0.00 2.59 2.70 0.00 110 Q 8.57 4.46 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.07 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 111 R 8.39 4.20 0.00 1.59 1.77 0.00 2.97 0.00 0.00 2.77 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.14 0.00 112 R 8.58 5.26 0.00 1.82 1.90 0.00 3.33 0.00 0.00 3.36 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 113 A 9.33 4.88 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 0.00 114 V 8.55 4.67 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 0.79 0.00 0.00 1.04 0.00 0.00 115 V 8.85 4.69 1.81 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 0.72 0.00 0.00 0.19 0.00 0.00 116 M 9.29 4.51 0.00 2.02 1.78 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 117 I 9.18 4.50 2.08 0.00 0.00 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 1.27 0.48 0.97 0.00 0.00 118 S 8.97 4.88 0.00 4.03 3.85 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 0.00 119 C 8.84 4.86 0.00 3.19 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 0.00 120 N 8.82 4.78 0.00 2.85 2.67 0.00 0.00 6.95 7.19 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 0.00 121 R 8.80 4.02 0.00 1.64 1.87 0.00 3.29 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 122 H 8.46 4.73 0.00 3.34 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.25 4.65 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 1.27 0.00 0.00 124 L 8.79 3.94 0.00 1.68 1.74 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.53 4.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.55 4.52 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.54 4.28 0.00 3.03 2.88 0.00 0.00 6.44 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 0.00 128 F 8.21 5.00 0.00 3.08 3.18 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 0.00 129 N 8.07 4.42 0.00 2.68 2.78 0.00 0.00 6.36 7.36 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 0.00 130 P 0.00 4.16 0.00 1.71 1.46 0.00 3.62 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 131 V 8.37 4.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.76 0.00 0.00 132 S 7.01 4.85 0.00 3.83 3.32 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 0.00 0.00 0.00 0.00 133 E 8.43 4.30 0.00 2.02 1.71 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 1.97 1.94 0.00 134 E 7.39 4.71 0.00 1.96 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 2.53 2.49 0.00 135 R 9.54 4.37 0.00 1.70 1.68 0.00 3.27 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 136 G 8.31 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 0.00 0.00 0.00 137 K 8.79 3.95 0.00 1.75 1.88 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 138 V 8.04 3.76 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 0.90 0.00 0.00 0.92 0.00 0.00 139 Q 8.08 5.19 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 140 D 8.52 4.46 0.00 2.68 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 0.00 141 C 8.30 3.90 0.00 2.91 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 F 7.44 5.15 0.00 2.85 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 0.00 143 Y 8.24 4.43 0.00 3.15 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.43 4.67 0.00 0.93 1.00 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.25 5.11 0.00 2.75 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.58 5.29 0.00 1.92 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 2.25 2.16 0.00 147 M 8.40 5.18 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 148 D 8.59 5.46 0.00 2.64 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 0.00 149 S 8.62 5.21 0.00 3.88 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 0.00 150 S 8.86 4.51 0.00 4.06 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 7.79 4.08 0.00 1.70 1.78 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 152 A 7.82 4.50 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 0.00 153 C 7.84 4.58 0.00 3.07 3.01 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 0.00 0.00 0.00 154 S 8.48 4.35 0.00 3.76 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.