NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.2343 8.1749 117.2931 63.2671 69.8999 172.9962 5 F 4.9051 8.3525 122.8271 53.8758 42.5206 171.5933 6 E 4.5723 9.8352 124.5441 54.6266 32.0302 175.5276 7 I 3.9912 8.1780 121.0663 63.3542 37.4414 176.5874 8 G 4.2175 9.1611 114.6018 44.3045 0.0000 173.4096 9 E 4.1010 8.2098 122.1340 56.2973 30.8646 175.8768 10 I 4.5861 8.3834 127.7438 61.2961 38.6271 175.3611 11 V 5.1247 8.8634 119.4446 60.1366 36.8251 174.1101 12 T 4.9263 8.9081 112.2779 60.5295 71.5133 173.9478 13 G 4.5751 9.0776 109.4976 44.8304 0.0000 171.2629 14 I 5.1605 8.4967 123.9676 59.4928 39.4344 174.8077 15 Y 4.5808 9.0999 127.7217 57.1030 41.6075 174.9785 16 K 3.6255 9.2747 128.1985 57.6835 29.7183 176.1428 17 T 3.4631 8.1275 105.8091 61.7422 68.3516 172.0602 18 G 4.0117 8.0128 110.2032 45.6356 0.0000 172.7282 19 K 5.0953 8.3425 121.4813 54.5908 35.5135 174.7125 20 Y 5.1097 9.1132 123.8427 56.2876 42.6871 174.1789 21 I 4.5486 8.5057 122.6196 60.4435 39.4669 175.5555 22 G 4.0688 8.8437 112.3395 45.5837 0.0000 170.4514 23 E 5.1198 8.8559 120.4884 53.8804 32.7604 175.9312 24 V 4.2329 8.8494 128.1068 63.5813 32.0278 176.0587 25 T 4.7091 8.6087 117.5469 61.7651 70.4823 173.6248 26 N 4.7631 7.8521 118.6370 53.0556 42.2344 173.1148 27 S 5.0601 8.2794 119.4956 57.0603 66.3079 173.2315 28 R 4.1691 8.3236 118.0340 55.7113 33.1276 172.3368 29 P 4.1323 0.0000 0.0000 63.0937 29.0933 176.1892 30 G 3.9430 10.0632 112.0904 45.6838 0.0000 170.9615 31 S 5.0799 7.6949 113.4296 57.5589 67.1297 172.7114 32 Y 4.8963 9.0416 117.3682 56.1310 42.1111 175.0494 33 V 4.3806 8.8952 123.8122 62.3848 33.2124 174.7491 34 V 4.6991 8.6909 128.1887 60.8747 34.2702 174.0383 35 K 4.6195 8.9584 130.4308 55.3969 33.4191 175.8716 36 V 3.9656 8.6329 129.2551 63.1391 31.8618 176.1992 37 L 5.1445 9.1573 127.3357 55.7012 44.2367 176.3320 38 A 4.7704 8.0193 117.9562 50.8464 22.8946 175.0269 39 V 4.2894 8.3614 120.2225 61.5192 32.3289 175.5013 40 L 4.3730 8.5323 128.0011 55.7771 43.3304 177.2323 41 K 4.4367 7.2097 119.5294 54.6995 35.4667 175.0216 42 H 4.6720 8.8828 127.9917 55.1234 30.5499 173.1107 43 P 4.5591 0.0000 0.0000 62.5074 32.0946 176.3051 44 V 3.9119 8.7150 121.5195 63.1876 32.0746 175.8015 45 Q 4.4161 8.4740 124.3628 54.9283 30.4630 175.9175 46 G 2.4661 7.1701 107.3803 44.8866 0.0000 173.5760 *59 F 4.3125 8.3166 124.9547 58.3353 39.7302 173.4856 60 H 5.1924 7.9920 121.7327 53.4569 31.5443 173.9251 61 E 4.2873 8.6942 117.2616 56.1606 30.9364 176.3926 62 R 4.5165 8.3397 119.9740 54.5123 32.0930 175.1017 63 R 4.4359 8.6388 124.5153 55.4704 30.9861 176.7543 64 A 4.4026 8.7119 124.5782 51.9980 19.0356 177.8076 65 L 4.0590 8.5068 120.4751 54.9605 42.3347 177.6477 66 A 4.4641 8.9292 124.7451 50.0810 19.5919 176.8815 67 F 3.7744 7.5813 121.7651 59.5200 39.4223 175.5821 68 R 3.4684 8.3737 125.6160 56.0551 28.4229 175.9996 69 E 3.8997 7.6127 120.2402 56.7193 30.7367 175.4764 70 Q 5.1320 8.4539 124.9754 54.3076 30.9895 175.0383 71 T 4.5038 8.4526 113.5958 59.4816 72.4724 172.6605 72 N 4.9513 8.7081 123.2614 53.7447 39.8756 174.0127 73 I 4.8316 9.0264 126.8283 58.6897 40.8818 173.6034 74 P 4.8124 0.0000 0.0000 62.3783 31.6704 177.3491 75 E 4.4409 9.2009 120.3407 59.6398 29.6260 179.0944 76 Q 4.0231 7.3838 118.6988 55.8555 28.1229 175.9350 *78 V 4.0581 7.6793 116.7065 62.7606 32.6514 174.2921 79 K 4.8087 8.4930 127.6169 54.0090 35.9238 175.1391 80 K 4.1635 9.1627 127.5465 57.4152 32.6242 174.9860 81 Y 4.7017 9.1156 127.7810 56.0017 41.3781 175.2568 82 E 4.3184 8.4273 124.7936 55.8844 30.2684 176.2576 83 G 3.6150 5.3800 108.0080 43.4507 0.0000 173.3482 84 E 4.1465 8.4180 118.2625 56.2442 29.9731 176.8585 85 I 4.3942 8.1373 122.8307 59.1383 37.9579 174.3879 86 P 4.5000 0.0000 0.0000 61.8070 32.3045 176.1637 87 D 4.3533 8.4282 118.5948 54.2961 42.2824 176.0658 88 Y 3.9449 8.4469 127.7458 61.2647 38.8535 178.5281 89 T 3.8335 7.9356 115.9063 66.7031 68.5773 176.1449 90 E 3.8927 8.4985 121.4014 59.1169 29.5988 178.9743 91 S 3.9905 8.3663 114.9463 61.1859 63.0178 176.2907 92 L 3.6508 7.7027 124.1410 57.4694 41.8018 178.6819 93 K 3.8404 7.9974 119.6499 59.4447 32.0385 178.2974 94 L 3.8594 8.0604 120.2998 58.2066 42.0880 178.4806 95 A 3.9237 8.4109 120.9355 55.3008 18.0014 179.4322 96 L 3.8881 7.7754 117.3691 58.3612 42.2910 178.6842 97 E 4.1190 8.0332 117.3379 59.5953 29.6635 179.1081 98 T 4.0409 8.2043 116.1474 66.6038 68.6343 177.3622 99 Q 3.7502 7.8819 118.2924 56.9213 28.9023 177.3865 *101 N 4.6278 8.2111 118.1580 52.6710 40.5487 176.7983 102 S 4.0592 7.7336 111.8660 60.5927 63.0624 174.9830 103 F 4.8093 7.4286 116.7826 57.2400 39.1107 177.3658 104 S 4.1706 8.0107 116.7349 60.9401 62.5294 175.3090 105 E 4.5199 8.1884 117.4092 55.6796 29.7414 174.8743 106 D 4.7992 8.3460 120.3895 52.9430 41.2506 175.0336 107 D 4.8127 8.5690 125.8987 53.2055 40.0742 177.4847 108 S 4.4083 8.3889 115.7684 58.0053 65.1464 173.1027 109 P 4.1934 0.0000 0.0000 65.7285 30.9436 178.8821 110 F 4.0538 8.1840 118.8529 61.0478 39.3918 176.7345 111 A 2.9096 7.9954 120.4611 54.8114 18.1263 178.9792 112 E 3.6124 7.6970 117.3877 59.5289 29.6657 179.1458 113 R 3.4077 7.4400 118.3585 59.1507 29.8915 178.5860 114 S 3.9205 7.3510 115.2451 61.3641 62.6586 176.3971 115 L 3.8317 7.5374 123.2515 58.0381 41.9056 178.5451 116 E 4.0100 7.8213 118.4709 59.9458 29.4504 179.5166 117 T 3.8738 7.6737 115.2454 66.8638 68.5422 176.7508 118 L 4.0303 8.2553 121.0538 57.7382 41.6458 179.5452 119 Q 3.9708 8.3144 118.3688 58.9393 28.5509 178.7644 120 Q 3.9916 7.9444 120.1028 59.1768 29.0834 177.9088 121 L 3.5783 7.8687 120.0506 57.7755 41.6585 179.3686 122 K 3.9993 8.1605 119.3405 59.6195 32.1197 178.9886 123 K 4.0230 7.5810 117.2385 59.4785 31.8302 179.0879 124 D 4.3775 8.0495 118.4488 57.5604 40.8184 178.0919 125 Y 4.5991 7.9825 115.7269 59.0128 37.8845 176.7019 126 K 4.1098 7.9106 118.0715 56.6291 30.1727 176.3871 127 L 4.3531 7.8358 124.5127 54.9431 41.7555 176.3714 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 4 T 8.17 4.23 4.13 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 1.23 0.00 0.00 5 F 8.35 4.91 0.00 2.26 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 6 E 9.84 4.57 0.00 2.21 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 2.31 0.00 7 I 8.18 3.99 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 0.93 0.00 0.00 8 G 9.16 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 9 E 8.21 4.10 0.00 2.14 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 2.26 2.32 0.00 10 I 8.38 4.59 2.06 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 1.37 0.83 1.09 0.00 0.00 11 V 8.86 5.12 1.77 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 0.26 0.00 0.00 0.73 0.00 0.00 12 T 8.91 4.93 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 1.00 0.00 0.00 13 G 9.08 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.50 5.16 1.93 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 1.24 0.71 0.98 0.00 0.00 15 Y 9.10 4.58 0.00 3.06 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 16 K 9.27 3.63 0.00 1.75 1.70 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.70 0.21 7.81 17 T 8.13 3.46 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 1.21 0.00 0.00 18 G 8.01 4.01 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 0.00 0.00 0.00 19 K 8.34 5.10 0.00 1.67 1.42 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.19 1.44 7.81 20 Y 9.11 5.11 0.00 2.86 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 21 I 8.51 4.55 1.77 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.26 0.86 0.00 0.00 22 G 8.84 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 23 E 8.86 5.12 0.00 1.99 1.73 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 2.17 2.35 0.00 24 V 8.85 4.23 2.22 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 0.99 0.00 0.00 0.66 0.00 0.00 25 T 8.61 4.71 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 1.25 0.00 0.00 26 N 7.85 4.76 0.00 2.83 2.65 0.00 0.00 7.04 7.63 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 27 S 8.28 5.06 0.00 3.78 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 28 R 8.32 4.17 0.00 1.71 1.61 0.00 3.09 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.00 29 P 0.00 4.13 0.00 2.06 1.94 0.00 3.74 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 1.99 2.11 0.00 30 G 10.06 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.69 5.08 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 32 Y 9.04 4.90 0.00 2.92 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 33 V 8.90 4.38 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.93 0.00 0.00 34 V 8.69 4.70 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 0.83 0.00 0.00 0.92 0.00 0.00 35 K 8.96 4.62 0.00 1.75 1.59 0.00 1.57 0.00 0.00 1.37 0.00 0.00 2.69 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.18 1.20 7.81 36 V 8.63 3.97 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 1.07 0.00 0.00 0.57 0.00 0.00 37 L 9.16 5.14 0.00 1.71 1.87 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.02 4.77 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 39 V 8.36 4.29 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 0.55 0.00 0.00 0.76 0.00 0.00 40 L 8.53 4.37 0.00 1.50 1.56 0.69 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.21 4.44 0.00 1.66 1.50 0.00 1.66 0.00 0.00 1.84 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.37 7.81 42 H 8.88 4.67 0.00 3.21 3.39 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.56 0.00 2.18 2.12 0.00 3.37 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 44 V 8.71 3.91 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 1.08 0.00 0.00 1.02 0.00 0.00 45 Q 8.47 4.42 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.40 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 46 G 7.17 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 0.00 0.00 0.00 *59 F 8.32 4.31 0.00 3.08 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 60 H 7.99 5.19 0.00 3.26 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.69 4.29 0.00 2.04 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 2.31 2.34 0.00 62 R 8.34 4.52 0.00 1.80 2.04 0.00 3.52 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 63 R 8.64 4.44 0.00 1.99 2.10 0.00 3.36 0.00 0.00 3.41 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 64 A 8.71 4.40 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 65 L 8.51 4.06 0.00 0.83 1.24 -0.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.93 4.46 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 67 F 7.58 3.77 0.00 1.51 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 R 8.37 3.47 0.00 1.45 1.65 0.00 2.91 0.00 0.00 2.77 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 69 E 7.61 3.90 0.00 1.94 1.68 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 2.09 2.16 0.00 70 Q 8.45 5.13 0.00 1.85 1.90 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 2.13 2.20 0.00 71 T 8.45 4.50 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 0.79 0.00 0.00 72 N 8.71 4.95 0.00 2.74 2.80 0.00 0.00 6.83 7.94 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 73 I 9.03 4.83 1.97 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 1.40 0.84 1.11 0.00 0.00 74 P 0.00 4.81 0.00 2.24 2.02 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 75 E 9.20 4.44 0.00 2.58 2.34 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 2.38 2.42 0.00 76 Q 7.38 4.02 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.43 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 *78 V 7.68 4.06 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 -0.10 0.00 0.00 1.07 0.00 0.00 79 K 8.49 4.81 0.00 1.87 1.58 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.45 7.81 80 K 9.16 4.16 0.00 2.06 1.83 0.00 1.94 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.66 7.81 81 Y 9.12 4.70 0.00 3.03 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 82 E 8.43 4.32 0.00 1.79 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 0.00 2.14 2.15 0.00 83 G 5.38 3.61 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 0.00 0.00 0.00 84 E 8.42 4.15 0.00 2.02 1.94 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 2.32 2.33 0.00 85 I 8.14 4.39 1.95 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 1.65 0.67 1.00 0.00 0.00 86 P 0.00 4.50 0.00 2.14 2.04 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 87 D 8.43 4.35 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.45 3.94 0.00 3.21 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 89 T 7.94 3.83 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 1.21 0.00 0.00 90 E 8.50 3.89 0.00 2.05 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 2.28 2.33 0.00 91 S 8.37 3.99 0.00 4.11 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 92 L 7.70 3.65 0.00 1.18 1.53 0.63 0.13 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 93 K 8.00 3.84 0.00 1.93 1.91 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.46 7.81 94 L 8.06 3.86 0.00 1.81 1.75 0.89 1.50 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 95 A 8.41 3.92 1.29 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 0.00 0.00 96 L 7.78 3.89 0.00 1.82 1.87 0.81 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.03 4.12 0.00 2.10 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 2.35 2.36 0.00 98 T 8.20 4.04 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 1.16 0.00 0.00 99 Q 7.88 3.75 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.38 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 *101 N 8.21 4.63 0.00 2.99 2.88 0.00 0.00 6.77 7.57 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 0.00 102 S 7.73 4.06 0.00 3.75 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 0.00 103 F 7.43 4.81 0.00 3.21 3.03 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 0.00 104 S 8.01 4.17 0.00 4.01 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 0.00 105 E 8.19 4.52 0.00 1.97 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 2.22 2.27 0.00 106 D 8.35 4.80 0.00 2.77 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 0.00 107 D 8.57 4.81 0.00 2.81 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 0.00 108 S 8.39 4.41 0.00 4.16 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 0.00 109 P 0.00 4.19 0.00 2.20 2.13 0.00 3.63 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 2.12 2.14 0.00 110 F 8.18 4.05 0.00 3.18 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 0.00 111 A 8.00 2.91 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 0.00 112 E 7.70 3.61 0.00 1.94 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 2.15 2.21 0.00 113 R 7.44 3.41 0.00 1.59 0.66 0.00 2.97 0.00 0.00 2.86 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 114 S 7.35 3.92 0.00 2.90 3.56 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 0.00 115 L 7.54 3.83 0.00 1.53 1.58 0.99 0.83 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 0.00 116 E 7.82 4.01 0.00 2.06 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 2.20 2.37 0.00 117 T 7.67 3.87 4.49 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 1.33 0.00 0.00 118 L 8.26 4.03 0.00 1.70 1.74 1.15 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.31 3.97 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 120 Q 7.94 3.99 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 121 L 7.87 3.58 0.00 1.78 1.29 1.06 0.40 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 0.00 122 K 8.16 4.00 0.00 1.93 2.05 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.56 7.81 123 K 7.58 4.02 0.00 2.02 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.66 7.81 124 D 8.05 4.38 0.00 2.49 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 0.00 125 Y 7.98 4.60 0.00 2.97 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 0.00 126 K 7.91 4.11 0.00 2.01 2.13 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.47 7.81 127 L 7.84 4.35 0.00 1.72 1.59 1.00 0.82 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 * Residues marked with a * may have inaccurate shift predictions.