NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 S 4.4207 8.1933 115.2896 57.8834 63.8882 174.3414 21 S 3.8938 8.6323 122.4219 60.9032 62.7336 175.1043 22 L 3.9138 8.7806 123.7135 58.3947 42.1346 178.4250 23 E 3.9729 8.1318 117.6229 59.8729 29.4792 179.2425 24 T 3.9116 7.9765 115.5770 66.7506 68.4069 176.6780 25 I 3.7821 7.9437 121.6330 64.5499 37.2799 178.3625 26 E 3.9982 8.3588 119.4016 59.1885 29.0163 179.2731 27 L 3.9789 7.8379 119.5663 58.0419 42.4508 178.2675 28 F 4.3694 8.6630 121.0276 61.7332 39.3226 176.8824 29 I 3.4809 8.2098 119.4560 64.6812 36.7354 178.1391 30 Q 4.1598 7.6952 119.7453 58.3046 28.8912 177.1539 31 H 4.4743 8.0152 115.1165 54.9944 29.3722 175.0491 32 L 4.2526 7.1070 122.7967 54.0833 42.4362 176.9868 33 T 4.3604 8.3450 112.1589 61.6964 68.9149 173.8468 34 E 4.6083 7.3911 120.4954 54.6455 31.3405 175.9166 35 A 4.0349 8.1935 125.7846 51.9137 19.4604 176.4553 *37 I 4.0159 7.9587 113.9899 60.7190 39.7356 173.9148 38 L 4.9630 8.8169 126.5905 53.5617 43.7613 175.1610 39 V 4.9953 8.9007 126.6938 61.0901 34.4002 175.4020 40 N 4.8227 8.9253 124.0712 51.7136 39.1281 175.2920 41 A 4.3252 8.8170 120.0287 55.5471 18.3261 178.1618 42 N 4.7880 8.4736 110.2601 53.3556 39.1259 175.8717 43 G 3.9815 8.5693 107.7269 45.2680 0.0000 172.9251 44 F 4.9781 8.0655 119.1445 55.6683 40.3748 174.9849 45 I 4.3395 8.8321 120.3570 61.3512 37.8142 176.6219 46 R 4.4257 9.1229 127.3953 57.7644 31.3596 176.2243 47 S 4.7957 7.7706 112.1140 57.2583 66.0201 173.0096 48 C 4.8792 8.4363 119.8272 56.9026 32.4061 172.2487 49 N 5.0776 9.0587 114.7318 51.1696 41.7116 175.6029 50 Q 3.9586 8.5096 120.4187 59.5129 29.0518 178.7497 51 R 3.8978 7.8792 118.9640 59.1300 30.0837 179.0111 52 S 4.0672 7.8788 113.5420 61.2544 63.1479 176.2657 53 A 4.0512 8.3340 126.2016 54.2268 17.8368 179.2737 54 E 3.8467 8.3099 118.2591 59.2487 29.5152 178.7845 55 L 3.9563 8.0406 119.8979 57.7216 42.5307 178.0449 56 L 4.2405 8.1102 116.8250 53.7982 41.8355 176.3823 57 D 4.4514 7.6635 117.7904 55.0510 38.9424 173.4626 58 C 4.7437 8.2558 117.9445 56.6488 34.9328 171.2014 59 P 4.3656 0.0000 0.0000 62.8113 31.8298 176.7398 60 Q 3.9590 9.0709 121.3628 59.5466 28.4578 180.3272 61 V 3.7350 7.8811 117.3228 64.2580 31.3106 177.2601 62 S 4.6398 8.2699 114.1297 59.1841 63.9817 175.8615 63 L 4.2833 7.6778 121.9136 56.2013 41.7371 177.1615 64 K 4.1531 7.4325 119.5912 57.9310 32.5260 176.6179 65 G 4.1529 9.2735 115.2213 45.6219 0.0000 173.9525 66 Q 4.3361 7.8912 118.3535 55.5269 29.6420 174.6498 67 D 4.3847 8.5029 119.8376 52.8407 41.6715 177.1492 68 W 4.6906 9.0944 125.7848 59.8674 27.9138 178.1819 69 R 3.0453 7.6887 118.0468 57.8230 29.1090 178.0668 70 N 4.2675 8.2040 116.0968 54.7156 38.5537 175.4657 71 F 5.0878 7.7453 118.4593 56.1372 39.5326 174.7829 72 L 4.9373 7.1774 120.3732 52.5946 43.7682 176.8116 73 T 4.0155 8.1614 111.4935 61.2064 69.4569 174.0330 74 E 3.8643 8.4055 124.0230 57.7121 30.6067 175.7651 75 H 3.9747 8.3602 118.2488 57.1234 25.7760 173.5914 76 H 4.8225 7.1683 114.7963 54.2282 31.5289 174.7365 77 Q 3.9548 8.4456 117.4753 56.0478 29.2827 177.1390 78 A 3.9825 8.6642 124.6283 55.3406 18.6651 180.1245 79 R 3.4095 7.9661 113.9935 59.6604 28.9363 177.5756 80 Y 4.9163 7.4221 114.9812 59.3267 38.0663 176.3626 81 D 4.9696 8.8534 120.8817 54.5053 42.2762 176.5670 82 N 4.7728 7.9335 115.8314 51.8970 38.3324 174.9442 83 L 3.8364 8.2901 127.1230 57.7204 41.8888 178.9028 84 L 4.3182 7.8751 115.6417 54.1790 42.4801 176.2896 85 S 4.2550 7.5948 113.8067 58.7453 60.6067 172.6113 86 H 4.2870 7.9825 115.8013 57.1226 30.0715 176.0630 87 D 4.2612 8.6484 122.7751 55.5998 38.0511 174.1923 *95 G 3.8173 7.6606 99.4868 45.2687 0.0000 172.2290 96 Q 4.1527 8.1138 119.1262 53.9688 29.4601 174.6233 97 P 4.4212 0.0000 0.0000 62.8012 31.7262 176.0760 98 V 4.0349 8.8587 121.5532 63.1695 32.1769 175.4081 99 Q 4.8999 8.5762 120.9539 55.9818 30.6852 172.6303 100 H 5.0742 8.7098 117.5808 53.5606 32.3922 171.3637 101 P 4.8916 0.0000 0.0000 62.2585 32.4197 175.3689 102 A 4.4666 8.4729 121.6653 52.7603 18.9292 177.1407 103 Q 4.6153 9.3452 118.0698 54.6654 32.4876 173.4189 104 E 4.3670 8.8324 120.7211 57.3951 30.2497 176.9291 105 T 4.7151 9.2940 120.6482 62.5365 73.6292 172.5632 106 T 4.8875 8.6539 121.2022 61.0777 68.6117 173.7992 107 L 4.9202 9.2720 128.5862 53.2360 45.4240 175.6557 108 I 4.9005 8.5589 121.3232 59.6063 39.3951 175.5252 109 C 4.7058 9.2712 125.6314 59.3507 28.8625 175.2672 110 A 4.0417 8.8376 124.1966 55.4564 18.2437 179.0474 111 S 4.4155 8.2047 108.7006 58.3958 63.0574 176.3084 112 G 4.0340 8.4006 110.3591 46.0335 0.0000 174.6864 113 K 4.1929 7.6351 119.9773 56.4138 33.0462 176.1547 114 A 4.7985 8.5837 127.0296 51.3202 19.8256 176.3782 115 K 4.5181 9.3440 123.6680 54.6156 35.7816 174.5607 116 D 5.0575 8.7310 127.3041 53.5506 42.3109 175.8748 117 V 4.9764 8.6891 116.1489 59.5682 36.8584 174.0492 118 E 4.8359 9.3263 123.4742 54.8831 30.4606 174.6435 119 L 5.1887 8.7192 129.8701 53.3128 44.5938 175.1416 120 S 5.3091 8.9388 120.0910 56.6097 66.2130 173.3192 121 I 4.7397 8.6135 122.3927 59.6696 40.5630 174.5009 122 S 5.0763 8.8918 122.4025 56.8169 66.0565 172.4120 123 Y 4.4586 8.6752 125.5347 56.5559 39.8865 174.6474 124 I 4.0412 7.3631 127.2931 58.4583 38.8217 173.5726 125 P 4.0156 0.0000 0.0000 62.3907 31.3783 176.9405 126 G 3.8092 7.6267 108.7954 46.4762 0.0000 174.6178 127 H 4.4141 8.8695 118.1458 57.6954 29.2727 175.2373 128 E 4.7170 7.3699 115.2020 53.8471 32.3405 173.2959 129 P 4.3702 0.0000 0.0000 62.7563 32.4391 175.1683 *131 F 4.6016 8.1374 116.0924 57.7036 40.8851 174.6551 132 V 4.9944 8.3255 120.3510 60.2808 35.5947 173.5900 *134 V 4.3053 7.9623 119.2274 63.1355 33.4438 173.7028 *136 H 4.7046 8.3802 119.7994 55.6514 30.8350 171.9273 137 D 4.5975 8.6088 126.4293 54.2979 41.8284 176.0483 138 L 4.2765 8.2734 124.8199 54.9851 41.7800 176.3583 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 20 S 8.19 4.42 0.00 3.86 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.63 3.89 0.00 3.96 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 22 L 8.78 3.91 0.00 1.67 1.69 0.97 0.93 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 23 E 8.13 3.97 0.00 2.21 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 2.41 2.41 0.00 24 T 7.98 3.91 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 1.18 0.00 0.00 25 I 7.94 3.78 2.04 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 1.78 0.95 0.95 0.00 0.00 26 E 8.36 4.00 0.00 2.18 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 0.00 2.35 2.60 0.00 27 L 7.84 3.98 0.00 1.90 1.79 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.66 4.37 0.00 3.16 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.21 3.48 2.02 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 1.45 0.79 0.92 0.00 0.00 30 Q 7.70 4.16 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 31 H 8.02 4.47 0.00 3.10 3.24 0.00 5.89 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.11 4.25 0.00 1.53 1.41 0.66 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.34 4.36 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 1.18 0.00 0.00 34 E 7.39 4.61 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 2.23 2.35 0.00 35 A 8.19 4.03 1.26 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 0.00 0.00 0.00 *37 I 7.96 4.02 1.86 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 1.17 0.63 0.86 0.00 0.00 38 L 8.82 4.96 0.00 1.74 1.57 0.98 0.77 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 39 V 8.90 5.00 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 0.77 0.00 0.00 0.81 0.00 0.00 40 N 8.93 4.82 0.00 3.07 3.08 0.00 0.00 6.79 6.97 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 41 A 8.82 4.33 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 42 N 8.47 4.79 0.00 3.12 3.28 0.00 0.00 7.09 7.65 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 43 G 8.57 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 44 F 8.07 4.98 0.00 3.26 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.83 4.34 1.94 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 1.39 1.25 1.15 0.00 0.00 46 R 9.12 4.43 0.00 1.87 2.03 0.00 3.31 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 47 S 7.77 4.80 0.00 4.14 3.64 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 48 C 8.44 4.88 0.00 2.91 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 49 N 9.06 5.08 0.00 2.71 2.79 0.00 0.00 7.09 7.99 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 50 Q 8.51 3.96 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 51 R 7.88 3.90 0.00 1.81 1.92 0.00 3.31 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 52 S 7.88 4.07 0.00 3.95 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 53 A 8.33 4.05 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 54 E 8.31 3.85 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 55 L 8.04 3.96 0.00 1.67 1.75 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.11 4.24 0.00 1.63 1.26 0.83 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 57 D 7.66 4.45 0.00 2.83 2.76 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 0.00 0.00 0.00 0.00 58 C 8.26 4.74 0.00 3.02 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 59 P 0.00 4.37 0.00 2.27 2.17 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 60 Q 9.07 3.96 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 61 V 7.88 3.73 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 0.81 0.00 0.00 0.95 0.00 0.00 62 S 8.27 4.64 0.00 3.96 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 63 L 7.68 4.28 0.00 1.82 1.71 0.82 0.37 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 64 K 7.43 4.15 0.00 1.77 1.76 0.00 1.97 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.45 7.81 65 G 9.27 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.89 4.34 0.00 2.60 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.89 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 67 D 8.50 4.38 0.00 2.37 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 68 W 9.09 4.69 0.00 3.71 3.30 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 69 R 7.69 3.05 0.00 1.63 1.62 0.00 3.05 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.88 0.00 70 N 8.20 4.27 0.00 2.06 2.19 0.00 0.00 6.82 7.35 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 71 F 7.75 5.09 0.00 3.06 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 72 L 7.18 4.94 0.00 1.46 1.38 -0.15 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.16 4.02 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 1.29 0.00 0.00 74 E 8.41 3.86 0.00 1.83 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 1.88 2.19 0.00 75 H 8.36 3.97 0.00 3.29 3.29 0.00 5.76 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 76 H 7.17 4.82 0.00 3.27 3.51 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.45 3.95 0.00 1.15 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 78 A 8.66 3.98 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 79 R 7.97 3.41 0.00 2.07 2.19 0.00 3.02 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 80 Y 7.42 4.92 0.00 3.02 2.90 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 0.00 0.00 0.00 81 D 8.85 4.97 0.00 2.82 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 82 N 7.93 4.77 0.00 2.99 2.98 0.00 0.00 6.83 6.14 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 83 L 8.29 3.84 0.00 1.05 0.17 0.30 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.88 4.32 0.00 1.47 1.51 1.08 1.05 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 85 S 7.59 4.25 0.00 3.96 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 86 H 7.98 4.29 0.00 3.15 3.27 0.00 6.04 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.65 4.26 0.00 2.80 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 *95 G 7.66 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 96 Q 8.11 4.15 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 97 P 0.00 4.42 0.00 1.49 1.39 0.00 3.64 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.99 0.00 98 V 8.86 4.03 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 0.94 0.00 0.00 1.07 0.00 0.00 99 Q 8.58 4.90 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.49 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 100 H 8.71 5.07 0.00 3.29 3.48 0.00 5.46 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.89 0.00 2.14 2.17 0.00 3.88 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 2.05 2.02 0.00 102 A 8.47 4.47 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 0.00 103 Q 9.35 4.62 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.56 2.34 0.00 104 E 8.83 4.37 0.00 1.90 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 2.48 2.42 0.00 105 T 9.29 4.72 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 1.38 0.00 0.00 106 T 8.65 4.89 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 1.24 0.00 0.00 107 L 9.27 4.92 0.00 1.67 1.66 1.00 0.86 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 0.00 108 I 8.56 4.90 1.85 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 1.22 1.63 0.89 0.00 0.00 109 C 9.27 4.71 0.00 2.96 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 0.00 110 A 8.84 4.04 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.20 4.42 0.00 4.03 4.12 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 0.00 112 G 8.40 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 0.00 113 K 7.64 4.19 0.00 1.71 1.77 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.56 7.81 114 A 8.58 4.80 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 0.00 115 K 9.34 4.52 0.00 1.81 1.65 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.43 7.81 116 D 8.73 5.06 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.69 4.98 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 0.71 0.00 0.00 1.05 0.00 0.00 118 E 9.33 4.84 0.00 1.98 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 2.27 2.41 0.00 119 L 8.72 5.19 0.00 1.90 1.60 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.94 5.31 0.00 3.98 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 0.00 121 I 8.61 4.74 1.71 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.61 0.94 0.00 0.00 122 S 8.89 5.08 0.00 3.74 3.71 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 0.00 123 Y 8.68 4.46 0.00 2.84 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 0.00 124 I 7.36 4.04 1.60 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.48 0.70 0.00 0.00 125 P 0.00 4.02 0.00 2.00 1.73 0.00 3.38 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 126 G 7.63 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 0.00 0.00 0.00 127 H 8.87 4.41 0.00 3.17 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.37 4.72 0.00 2.05 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 2.22 2.27 0.00 129 P 0.00 4.37 0.00 2.37 2.30 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 *131 F 8.14 4.60 0.00 2.93 2.90 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 0.00 0.00 0.00 132 V 8.33 4.99 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 1.28 0.00 0.00 0.91 0.00 0.00 *134 V 7.96 4.31 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 1.24 0.00 0.00 0.93 0.00 0.00 *136 H 8.38 4.70 0.00 3.34 3.27 0.00 5.92 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.61 4.60 0.00 2.69 2.49 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 0.00 138 L 8.27 4.28 0.00 1.88 1.57 0.98 0.84 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 * Residues marked with a * may have inaccurate shift predictions.