NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4411 8.2644 123.5873 52.1873 19.8738 176.5979 2 T 3.9342 7.5204 118.3483 61.3813 69.2311 172.1974 3 K 5.3857 9.0672 127.8431 54.8566 37.3010 174.3423 4 A 5.3286 9.1403 123.1459 50.6583 23.2639 175.2448 5 V 5.0515 8.8431 118.1951 60.7277 36.0143 173.8009 6 C 4.7950 8.8077 120.0716 58.2359 35.3383 172.6805 7 V 4.5551 8.3315 126.4367 60.9680 32.3665 175.8294 8 L 4.4454 8.4536 130.4290 54.9224 38.5382 177.1870 9 K 4.5975 8.0293 127.7901 58.2455 35.9661 177.6270 10 G 4.2028 8.8300 104.7510 45.9315 0.0000 172.0588 11 D 4.2836 8.0562 119.8284 53.9547 42.0530 177.4166 12 G 3.9933 8.7260 107.6736 44.8265 0.0000 171.4605 13 P 4.5090 0.0000 0.0000 62.5912 31.4197 175.4967 14 V 4.9421 7.7750 119.6364 61.4532 31.6078 174.7743 15 Q 5.2528 7.5502 125.5266 53.5513 32.5433 174.4409 16 G 4.2066 7.9550 106.2280 46.1697 0.0000 171.7074 17 I 5.2122 8.3508 119.7970 59.4171 41.1827 175.0635 18 I 4.7294 8.6541 127.1217 59.4990 40.3808 174.2872 19 N 4.9966 8.3921 124.4996 51.4815 40.9174 173.9827 20 F 5.3333 9.1512 120.6893 55.7710 42.8289 173.8494 21 E 5.2314 9.6548 123.2612 54.7875 33.4976 174.0129 22 Q 4.3135 8.9465 127.4943 55.1689 31.2659 173.9420 23 K 4.0350 9.2729 128.8164 57.4353 32.8754 176.5129 24 E 4.4824 7.9700 118.0720 54.7774 31.5408 175.7803 25 S 4.1785 8.5800 116.4267 60.1350 62.7064 174.0331 26 N 4.2029 8.3077 121.8962 53.8579 37.1227 175.1850 27 G 3.9815 7.7371 107.6248 44.0743 0.0000 172.0007 28 P 4.6354 0.0000 0.0000 62.4546 32.3310 175.6496 29 V 4.6720 8.7032 119.9159 61.1382 34.5087 174.0562 30 K 4.8375 9.7353 130.6720 55.3583 33.7811 175.0585 31 V 4.7651 9.2029 128.7940 60.9223 33.4848 174.3376 32 W 5.5026 8.4703 124.3056 54.8740 32.0820 175.5156 33 G 4.2208 7.1150 105.9409 45.9443 0.0000 171.2537 34 S 5.1891 7.6872 113.6316 56.9627 67.5831 173.4001 35 I 5.2534 8.4532 122.0026 59.6441 41.6268 174.4806 36 K 5.0167 8.9575 123.7575 56.0356 36.3377 177.2475 37 G 4.4205 9.0167 108.0401 46.4676 0.0000 173.7166 38 L 4.2517 7.6238 120.0790 54.3894 42.4817 176.3759 39 T 4.5848 7.9982 116.4958 62.4054 69.5968 174.8183 40 E 4.1800 8.3434 124.0712 57.0410 30.9380 177.6564 41 G 3.7972 8.5454 108.5190 44.0746 0.0000 171.8481 42 L 4.7946 8.0619 119.5734 54.6630 42.8421 176.3817 43 H 5.1068 9.1253 120.2840 53.5336 32.4822 173.4813 44 G 4.0973 9.5454 111.1909 46.9199 0.0000 172.4842 45 F 5.4541 8.9019 124.3098 56.9352 42.3245 172.9851 46 H 5.4125 9.0522 122.6759 54.2183 34.0493 172.6133 47 V 4.6094 8.5175 120.5920 62.0832 32.7258 175.1085 48 H 5.0885 9.5418 125.8745 54.4462 30.4465 175.8144 49 E 3.8045 9.2794 121.9657 58.5369 29.6924 177.3076 50 F 5.1069 8.8100 117.4836 55.6779 41.8524 175.5392 51 G 4.2329 8.5381 111.0344 44.3751 0.0000 173.2228 52 D 4.8003 8.1442 119.6364 52.5633 42.1029 175.4383 53 N 5.4362 8.6799 125.2407 52.1738 39.7258 176.1523 54 T 3.9442 8.3658 111.2729 63.8141 69.8382 174.6141 55 A 4.7104 7.8260 124.8307 51.0814 19.8900 175.7025 56 G 3.6974 7.6894 112.8917 47.1803 0.0000 175.7154 57 C 4.5808 8.5841 117.5811 58.0792 40.7753 175.3353 58 T 3.7804 7.3889 109.5661 63.9217 68.3254 175.6773 59 S 4.5332 7.8705 116.4591 58.7783 63.2963 174.8091 60 A 4.4316 7.3362 125.7748 53.4872 18.5460 178.9294 61 G 3.9141 7.8901 105.8961 44.3108 0.0000 170.7023 62 P 4.7943 0.0000 0.0000 61.7030 34.1279 175.0500 63 H 4.3118 8.6066 116.1845 56.2327 29.6224 176.2513 64 F 4.4084 9.3517 124.5230 58.4461 39.0448 172.7146 65 N 4.8512 8.2460 124.9361 50.5010 38.5989 172.7341 66 P 4.3308 0.0000 0.0000 63.6438 32.1193 177.8116 67 L 4.3862 7.5716 117.3272 53.7230 42.3389 176.3872 68 S 3.6253 7.3580 112.8218 59.3495 60.0169 171.0831 69 R 4.7383 8.4639 119.5646 53.7304 34.1465 175.5014 70 K 4.3836 9.4192 118.8999 56.1481 33.2904 176.5729 71 H 3.6235 8.8157 122.9849 57.0539 31.0441 174.8578 72 G 4.3390 7.2635 109.2595 46.3489 0.0000 172.3388 73 G 4.1974 8.9798 108.9954 43.1956 0.0000 173.3723 74 P 4.2998 0.0000 0.0000 65.2332 31.2569 177.7023 75 K 4.2114 7.8824 116.4160 57.6664 32.5832 176.9219 76 D 4.5698 7.5625 118.7553 53.9895 41.2724 176.1040 77 E 4.0591 8.5865 122.0762 58.1255 30.1076 176.5473 78 E 4.3356 7.8396 120.6362 54.3993 28.2347 174.4290 79 R 4.8631 7.4894 118.5388 54.1726 33.1118 174.8818 80 H 4.7994 9.3750 115.8757 54.7028 29.7435 177.1616 81 V 3.5023 8.1466 122.0483 65.9876 31.4722 177.4734 82 G 3.7945 8.0703 107.3174 46.7085 0.0000 172.7985 83 D 4.7810 7.9553 120.8850 54.6573 40.6913 176.5676 84 L 4.8991 8.2527 127.3402 54.9937 43.7087 178.8849 85 R 3.4866 8.0640 121.3038 58.0321 29.8705 174.7091 86 N 5.7437 8.6800 111.8612 51.2481 42.2704 173.7640 87 V 4.4260 8.6493 113.4180 59.9377 35.4700 174.8891 88 T 5.0884 8.3603 119.4671 61.9233 71.2810 173.3014 89 A 4.6027 8.7840 126.2574 50.7776 22.4377 174.8244 90 D 4.4554 9.1155 118.5327 54.8173 40.7061 177.5954 *92 D 4.4927 7.9380 123.0173 52.4015 43.4331 176.8463 93 G 4.4015 8.1250 107.7687 44.2759 0.0000 172.7884 94 V 4.7004 7.5622 119.8124 61.4520 33.7348 174.4089 95 A 5.1139 8.7942 128.6294 49.1288 21.9892 174.4087 96 D 4.8559 8.7868 123.1177 53.5684 42.1813 176.3024 97 V 4.3038 8.6925 124.4042 61.5389 34.1943 175.2173 98 S 4.7801 8.2530 116.6966 58.1101 64.0278 174.3013 99 I 4.8025 9.3175 119.4845 59.6030 41.5006 173.3209 100 E 5.2796 8.3968 122.3600 54.8611 33.0675 174.4332 101 D 4.6413 8.6641 120.5416 53.9063 44.9969 176.0588 102 S 4.6286 9.0224 119.7738 58.5387 64.1915 175.2307 103 V 3.7926 7.9002 121.2121 65.4863 31.5908 175.9803 104 I 4.2258 7.7806 112.2087 60.7318 38.7164 174.2406 105 S 4.5874 8.2212 111.9118 58.2752 65.3079 175.1989 106 L 4.8901 8.4063 123.4748 53.8200 41.7097 176.7280 107 S 4.4391 8.4200 110.2467 58.9334 65.5267 175.9977 108 G 3.9067 8.6453 109.8642 44.2060 0.0000 173.6260 109 D 4.5795 8.7572 118.1884 57.3326 41.5043 177.0796 110 H 5.3098 7.5336 112.4222 55.0963 29.1350 173.7992 111 C 4.6346 8.0879 119.6781 59.2985 32.2616 172.6832 112 I 3.8442 8.4494 119.8940 60.5135 37.8996 175.7054 113 I 3.5477 7.2091 122.8919 62.9065 37.3829 176.2785 114 G 3.8008 9.3574 112.8521 45.5199 0.0000 172.6701 115 R 4.7813 7.3060 118.7988 54.4631 34.1634 174.2407 116 T 4.9621 7.8587 114.2868 62.0510 71.3797 173.5987 117 L 4.7432 8.5897 128.5599 53.7841 43.7732 175.1906 118 V 4.9311 8.9416 126.7348 60.8865 34.6121 174.2467 119 V 4.9512 8.2781 126.5042 60.4256 33.6020 175.1124 120 H 4.9653 9.2552 122.9880 54.6223 29.7235 175.4358 121 E 4.2705 8.8795 118.3904 58.6164 30.3442 176.4511 122 K 4.8123 8.3247 118.4046 53.7620 36.6044 175.3578 123 A 4.5807 8.3908 122.0886 52.1867 19.7579 176.0095 124 D 5.0466 9.4143 121.6628 52.9936 42.2271 176.0867 125 D 4.6110 9.5855 125.1824 53.1053 39.6350 176.7415 126 L 3.7088 9.4598 118.9739 55.9532 39.6280 175.0311 127 G 4.2079 8.4088 103.7346 46.7711 0.0000 175.1116 128 K 4.5794 7.7968 115.6335 55.7614 32.8323 178.0289 129 G 3.5851 8.5562 111.7070 47.5645 0.0000 175.8427 130 G 4.0026 8.7275 106.2855 44.8140 0.0000 172.4897 131 N 5.1074 7.4822 115.7308 49.8340 42.0930 174.5306 132 E 4.0230 8.5466 120.4451 59.4168 29.6928 177.9184 133 E 3.8733 8.3029 118.9105 59.7476 29.5108 178.6022 134 S 4.0727 8.4621 112.9534 61.4250 62.3659 175.3509 135 T 4.3305 7.9371 110.0527 62.1466 68.6411 175.5889 136 K 4.3450 7.6625 119.9990 57.8204 34.4373 176.9917 137 T 4.1621 8.0134 106.0290 60.5048 70.0381 174.6281 138 G 3.7799 8.5898 108.1823 46.3090 0.0000 174.1380 139 N 4.2881 7.7016 113.7514 54.1330 36.6199 175.5575 140 A 4.6035 7.2605 117.7153 51.9829 18.6149 180.2394 141 G 4.0707 7.5338 105.6956 45.0957 0.0000 172.9010 142 S 4.5137 9.6895 115.8691 58.2473 65.4213 173.1613 143 R 4.3594 8.3412 119.1296 54.8589 30.4727 176.4999 144 L 4.2677 8.4202 125.1608 57.4075 42.3566 177.5757 145 A 4.8730 7.6372 118.2306 51.0193 22.9506 173.6303 146 C 5.6794 7.5676 108.3185 55.8479 46.0938 173.7022 147 G 4.3661 8.1717 106.4310 44.6880 0.0000 171.9902 148 V 4.3113 8.2876 122.6374 62.5385 32.8040 175.5066 149 I 4.0847 8.9610 129.3132 60.8333 37.9918 175.4210 150 G 4.3534 8.7267 114.3729 43.8949 0.0000 171.8782 151 I 4.3410 8.2056 121.0021 61.0518 37.4156 176.0214 152 A 4.6340 8.4391 129.2874 49.9418 21.1353 176.7982 153 Q 4.0707 8.4875 118.8948 56.4874 29.1574 176.2012 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 A 8.26 4.44 1.32 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 0.00 0.00 2 T 7.52 3.93 4.26 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 0.00 0.00 0.00 1.28 0.00 0.00 3 K 9.07 5.39 0.00 1.76 1.73 0.00 1.97 0.00 0.00 1.96 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.63 7.81 4 A 9.14 5.33 1.06 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 5 V 8.84 5.05 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 0.65 0.00 0.00 0.93 0.00 0.00 6 C 8.81 4.79 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.33 4.56 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 0.91 0.00 0.00 0.92 0.00 0.00 8 L 8.45 4.45 0.00 1.67 1.63 0.96 0.41 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 9 K 8.03 4.60 0.00 1.82 1.85 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.56 1.42 7.81 10 G 8.83 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 0.00 0.00 0.00 0.00 11 D 8.06 4.28 0.00 2.68 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 12 G 8.73 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.51 0.00 2.22 2.27 0.00 3.68 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 1.94 0.00 14 V 7.78 4.94 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 0.68 0.00 0.00 0.94 0.00 0.00 15 Q 7.55 5.25 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.16 0.00 16 G 7.96 4.21 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 0.00 17 I 8.35 5.21 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.92 0.82 0.00 0.00 18 I 8.65 4.73 1.89 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 1.75 0.48 0.00 0.00 19 N 8.39 5.00 0.00 1.44 1.42 0.00 0.00 6.38 8.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.15 5.33 0.00 2.87 2.95 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 21 E 9.65 5.23 0.00 2.47 2.12 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 2.30 2.38 0.00 22 Q 8.95 4.31 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 23 K 9.27 4.04 0.00 1.81 1.70 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.48 7.81 24 E 7.97 4.48 0.00 2.00 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 2.36 2.23 0.00 25 S 8.58 4.18 0.00 3.83 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 26 N 8.31 4.20 0.00 2.88 2.91 0.00 0.00 6.96 7.53 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 27 G 7.74 3.98 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 0.00 0.00 0.00 28 P 0.00 4.64 0.00 2.09 2.04 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 29 V 8.70 4.67 2.31 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 1.26 0.00 0.00 1.04 0.00 0.00 30 K 9.74 4.84 0.00 1.88 1.83 0.00 1.40 0.00 0.00 1.09 0.00 0.00 2.29 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.52 1.36 7.81 31 V 9.20 4.77 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 0.64 0.00 0.00 0.89 0.00 0.00 32 W 8.47 5.50 0.00 3.52 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 33 G 7.11 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 7.69 5.19 0.00 3.72 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 35 I 8.45 5.25 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.90 0.00 0.00 36 K 8.96 5.02 0.00 1.77 1.83 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.37 7.81 37 G 9.02 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 0.00 0.00 0.00 0.00 38 L 7.62 4.25 0.00 1.87 1.52 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.00 4.58 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 40 E 8.34 4.18 0.00 1.99 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 2.45 2.40 0.00 41 G 8.55 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 42 L 8.06 4.79 0.00 1.49 1.59 0.90 0.93 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 43 H 9.13 5.11 0.00 3.14 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.55 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 0.00 0.00 0.00 45 F 8.90 5.45 0.00 2.99 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 46 H 9.05 5.41 0.00 3.00 3.05 0.00 5.85 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.52 4.61 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 48 H 9.54 5.09 0.00 3.08 3.48 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.28 3.80 0.00 1.82 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 1.57 2.22 0.00 50 F 8.81 5.11 0.00 3.19 2.83 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 0.00 0.00 0.00 51 G 8.54 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 0.00 0.00 0.00 52 D 8.14 4.80 0.00 2.60 2.83 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 0.00 0.00 0.00 53 N 8.68 5.44 0.00 2.69 2.74 0.00 0.00 7.30 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 54 T 8.37 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 1.26 0.00 0.00 55 A 7.83 4.71 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 56 G 7.69 3.70 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 0.00 0.00 0.00 57 C 8.58 4.58 0.00 2.98 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 58 T 7.39 3.78 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 59 S 7.87 4.53 0.00 4.02 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 60 A 7.34 4.43 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.89 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 62 P 0.00 4.79 0.00 2.08 2.24 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 63 H 8.61 4.31 0.00 2.85 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.35 4.41 0.00 2.96 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 65 N 8.25 4.85 0.00 2.50 2.44 0.00 0.00 6.86 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.33 0.00 2.05 1.81 0.00 3.16 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.15 0.00 67 L 7.57 4.39 0.00 1.55 1.66 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.36 3.63 0.00 4.00 3.84 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 69 R 8.46 4.74 0.00 1.88 2.01 0.00 3.24 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 70 K 9.42 4.38 0.00 1.74 1.71 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.52 7.81 71 H 8.82 3.62 0.00 3.30 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.26 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 0.00 0.00 0.00 0.00 73 G 8.98 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 0.00 0.00 0.00 0.00 74 P 0.00 4.30 0.00 2.22 2.41 0.00 3.79 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 2.02 2.05 0.00 75 K 7.88 4.21 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.46 7.81 76 D 7.56 4.57 0.00 2.79 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 77 E 8.59 4.06 0.00 1.92 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 2.26 2.28 0.00 78 E 7.84 4.34 0.00 2.06 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 79 R 7.49 4.86 0.00 1.97 1.90 0.00 2.85 0.00 0.00 3.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 80 H 9.37 4.80 0.00 3.37 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.15 3.50 1.62 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 0.84 0.00 0.00 0.45 0.00 0.00 82 G 8.07 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 83 D 7.96 4.78 0.00 2.69 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 84 L 8.25 4.90 0.00 2.04 1.85 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.06 3.49 0.00 2.02 1.62 0.00 3.14 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 86 N 8.68 5.74 0.00 2.62 2.68 0.00 0.00 6.53 7.68 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 87 V 8.65 4.43 1.79 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 -0.17 0.00 0.00 0.74 0.00 0.00 88 T 8.36 5.09 4.21 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 1.19 0.00 0.00 89 A 8.78 4.60 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 90 D 9.12 4.46 0.00 2.90 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 *92 D 7.94 4.49 0.00 2.92 2.80 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 93 G 8.13 4.40 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 0.00 94 V 7.56 4.70 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 1.00 0.00 0.00 0.93 0.00 0.00 95 A 8.79 5.11 1.15 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 96 D 8.79 4.86 0.00 2.56 2.62 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 97 V 8.69 4.30 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 0.79 0.00 0.00 0.58 0.00 0.00 98 S 8.25 4.78 0.00 3.87 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 99 I 9.32 4.80 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.91 0.94 0.00 0.00 100 E 8.40 5.28 0.00 1.98 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 2.22 2.29 0.00 101 D 8.66 4.64 0.00 2.91 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 0.00 102 S 9.02 4.63 0.00 4.04 3.98 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 0.00 103 V 7.90 3.79 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 0.85 0.00 0.00 0.95 0.00 0.00 104 I 7.78 4.23 1.99 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.83 1.11 0.00 0.00 105 S 8.22 4.59 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.41 4.89 0.00 1.83 1.62 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.42 4.44 0.00 3.91 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 0.00 108 G 8.65 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 0.00 109 D 8.76 4.58 0.00 2.52 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 0.00 110 H 7.53 5.31 0.00 3.22 3.33 0.00 5.63 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.09 4.63 0.00 3.15 2.80 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 0.00 112 I 8.45 3.84 1.66 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 1.39 0.40 0.97 0.00 0.00 113 I 7.21 3.55 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.87 0.00 0.00 114 G 9.36 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 0.00 115 R 7.31 4.78 0.00 1.60 1.81 0.00 2.24 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.40 0.00 116 T 7.86 4.96 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 1.20 0.00 0.00 117 L 8.59 4.74 0.00 1.80 1.53 0.34 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.94 4.93 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 0.85 0.00 0.00 0.68 0.00 0.00 119 V 8.28 4.95 2.41 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 0.85 0.00 0.00 0.98 0.00 0.00 120 H 9.26 4.97 0.00 3.30 3.65 0.00 5.65 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 0.00 121 E 8.88 4.27 0.00 2.05 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 0.00 2.37 2.34 0.00 122 K 8.32 4.81 0.00 1.83 1.75 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.40 7.81 123 A 8.39 4.58 1.24 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 0.00 0.00 124 D 9.41 5.05 0.00 2.78 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 0.00 125 D 9.59 4.61 0.00 2.92 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 0.00 126 L 9.46 3.71 0.00 1.89 1.78 0.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.41 4.21 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 0.00 128 K 7.80 4.58 0.00 1.86 1.78 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.51 7.81 129 G 8.56 3.59 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 0.00 0.00 0.00 0.00 130 G 8.73 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 0.00 131 N 7.48 5.11 0.00 2.81 2.78 0.00 0.00 6.11 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 0.00 132 E 8.55 4.02 0.00 2.05 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 2.37 2.37 0.00 133 E 8.30 3.87 0.00 2.13 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 2.38 2.44 0.00 134 S 8.46 4.07 0.00 4.06 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 0.00 135 T 7.94 4.33 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 1.26 0.00 0.00 136 K 7.66 4.34 0.00 1.78 1.80 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.37 7.81 137 T 8.01 4.16 4.17 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 1.12 0.00 0.00 138 G 8.59 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 0.00 0.00 0.00 139 N 7.70 4.29 0.00 3.24 2.91 0.00 0.00 6.91 7.42 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 0.00 140 A 7.26 4.60 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 0.00 141 G 7.53 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 0.00 0.00 0.00 142 S 9.69 4.51 0.00 3.81 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 0.00 143 R 8.34 4.36 0.00 1.68 1.85 0.00 3.34 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 144 L 8.42 4.27 0.00 1.50 1.72 0.90 0.70 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 0.00 145 A 7.64 4.87 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 0.00 146 C 7.57 5.68 0.00 2.95 2.95 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 0.00 147 G 8.17 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.29 4.31 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 0.80 0.00 0.00 0.94 0.00 0.00 149 I 8.96 4.08 1.73 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.31 0.23 0.00 0.00 150 G 8.73 4.35 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 0.00 151 I 8.21 4.34 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.53 0.90 0.00 0.00 152 A 8.44 4.63 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 0.00 153 Q 8.49 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.