NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4496 8.3349 116.7959 58.2757 64.3331 176.3342 2 L 4.5620 8.8007 129.4641 52.1722 43.9204 174.6183 3 S 5.1793 9.0248 117.1204 57.4076 63.8993 173.8935 4 I 3.9574 7.3965 120.2278 62.8735 38.4507 177.7640 5 G 4.1181 9.8484 109.0204 44.4017 0.0000 171.7522 6 R 4.8238 8.7744 114.7847 55.1880 33.5841 175.6055 7 T 4.5749 8.5120 107.0911 62.3522 70.1456 173.7985 8 C 5.3246 7.5119 122.4158 58.1582 34.7067 172.8512 9 W 5.2725 9.8582 125.0989 54.9528 33.4111 174.0107 10 A 5.2285 8.7841 122.7325 50.3596 21.9832 175.5853 11 I 4.4570 8.9702 121.9998 59.4008 39.5939 176.7283 12 A 3.8476 8.8817 131.0973 54.1835 18.7025 176.7216 13 E 4.3916 7.5529 115.7175 54.9759 31.7259 175.9700 14 G 2.8001 7.6453 106.5878 45.5700 0.0000 171.7459 15 Y 5.3225 7.8981 124.0829 56.9193 42.6292 172.6427 16 I 4.5762 7.8718 127.1694 58.9306 39.9695 173.6840 17 P 4.6152 0.0000 0.0000 61.4211 32.5580 174.2573 18 P 4.5989 0.0000 0.0000 62.6532 31.2789 176.4390 *31 E 4.3864 7.8215 116.7859 56.7321 31.5786 176.3895 32 T 5.0289 8.5778 118.2769 61.7417 72.3719 173.5934 33 V 4.1403 8.5482 125.3537 61.4538 33.4753 174.1492 34 C 4.6820 8.7526 127.1950 58.7636 29.6168 172.9997 35 I 4.8104 8.6695 124.6555 59.2268 40.3786 174.2710 36 L 4.8553 8.7268 127.6163 53.2562 45.4111 174.6528 37 N 5.1367 9.3036 124.7866 51.8634 40.2760 174.1616 38 A 4.3213 8.6767 126.9873 52.2149 19.4398 177.5404 39 G 4.1972 7.6879 106.0087 44.6725 0.0000 173.9756 40 D 4.6424 8.4368 117.1199 54.2858 41.4507 176.2195 41 E 4.7466 7.6669 120.2343 53.8588 31.7823 175.2477 42 D 4.6317 8.8215 125.6540 54.7783 42.0945 175.5242 43 A 4.6012 9.2657 124.7540 51.0884 20.2483 176.0905 44 H 5.0570 9.3709 121.9085 54.7632 28.9291 174.6459 45 V 4.3979 8.6215 123.7014 62.5277 33.3512 174.4470 46 E 5.1195 9.4659 125.8569 54.8340 33.2305 174.4632 47 I 5.1386 8.7011 125.6365 59.8885 40.0636 174.8018 48 T 5.0179 9.0838 123.0427 61.8760 71.7902 172.8973 49 I 4.8453 8.0583 126.8385 60.0149 39.3806 174.3485 50 Y 4.8557 9.3223 124.8814 56.4612 40.8098 174.3551 51 Y 5.2145 8.4886 118.9228 56.2352 41.5663 175.7289 52 S 4.5623 9.0926 113.9632 59.6072 63.8047 174.6152 53 D 4.8440 8.2012 117.6632 52.1773 40.8350 175.0966 54 K 4.7135 7.8322 116.9420 54.2148 35.5467 175.4187 55 E 4.2148 8.4808 118.6100 55.5427 29.9834 175.3880 56 P 4.3652 0.0000 0.0000 63.2348 31.9864 175.8387 57 V 4.1588 8.8421 123.0377 62.7916 32.9735 174.8751 58 G 3.8718 7.8671 114.7292 41.0000 0.0000 171.6107 59 P 4.5986 0.0000 0.0000 63.0140 31.9693 176.5850 60 Y 4.4689 9.3618 124.5389 56.6739 38.1774 175.5111 61 R 4.6407 8.4605 123.2633 56.3318 31.3651 175.8310 62 L 4.4659 8.0885 120.7283 54.8909 46.3118 173.1875 63 T 5.2229 8.6224 119.5133 61.7040 71.9764 173.6739 64 V 4.2963 8.9623 125.7239 60.3229 33.6124 173.2525 65 P 4.9511 0.0000 0.0000 62.2738 32.0832 176.3606 66 A 4.1554 9.0379 124.1288 52.9531 18.9525 177.8887 67 R 3.7714 8.4626 118.7147 56.8849 28.4968 175.8226 68 R 4.7510 8.1029 114.3034 55.2914 35.7107 175.3281 69 T 4.9563 7.9084 114.6029 60.4929 70.9729 172.9480 70 K 4.2324 8.7641 120.5966 56.0058 36.3526 173.2253 71 H 5.0597 9.0651 125.3611 54.5594 30.2414 174.5320 72 V 4.2368 8.4774 124.2430 60.9661 33.8090 174.9188 73 R 4.4002 8.4124 127.6144 55.4330 31.1107 177.6874 74 F 4.2106 8.9196 122.2287 60.5578 39.2329 177.2766 75 N 4.3695 8.2913 118.0142 56.6134 38.8159 175.3154 76 D 4.5676 7.7759 116.0404 55.6085 41.2853 176.5927 77 L 4.3718 7.8652 121.5006 54.6392 42.4130 177.2456 78 N 5.0574 8.8805 116.3600 52.3819 40.7411 173.3699 79 D 5.1326 8.0460 117.9653 51.3531 43.3419 173.4738 80 P 4.1890 0.0000 0.0000 65.3570 31.4862 176.0720 81 A 5.1723 7.0117 116.2549 50.3407 22.0064 173.8177 82 P 4.9438 0.0000 0.0000 61.8441 32.1101 176.4470 83 I 4.1223 8.0162 121.5595 59.5612 37.7388 174.4774 84 P 4.1834 0.0000 0.0000 63.2867 31.5361 176.1807 85 H 4.3959 8.6499 120.0139 55.5191 29.6663 173.7646 86 D 4.2835 8.3644 117.0656 54.2641 39.9596 173.7304 87 T 4.8442 7.5606 111.7598 61.7704 72.4987 173.5272 88 D 5.1952 9.0500 126.5239 54.0939 42.0228 175.5082 89 F 5.2109 9.0629 118.0201 55.3515 42.2128 172.9437 90 A 4.8285 8.7897 119.0173 50.7390 23.0248 175.2264 91 S 5.3876 9.2153 112.8885 56.9918 67.3500 173.0907 92 V 4.9402 9.2167 121.1016 61.3569 34.2642 174.0697 93 I 5.0036 9.2392 129.1330 59.8370 39.5008 174.8212 94 Q 5.2792 9.0990 124.9153 54.4685 32.8848 174.2823 95 S 5.1834 8.7352 115.4885 56.9704 65.4801 173.8281 96 N 4.5710 8.3389 118.2259 54.5835 37.6140 175.7280 97 V 4.5585 7.3056 110.3793 58.1773 34.9163 173.4504 98 P 4.7444 0.0000 0.0000 63.0225 31.8928 175.8028 99 I 4.8901 9.1379 116.3653 59.4242 41.9945 173.7368 100 V 4.6210 8.5968 122.8522 61.0447 33.5679 174.3726 101 V 4.3395 5.7476 126.9868 60.8259 33.7209 174.2427 102 Q 4.5363 8.7483 127.7011 54.6404 32.9686 172.9511 103 H 5.1042 8.7043 123.3184 54.7360 33.0823 172.3474 104 T 4.5188 8.3410 121.8829 61.7611 70.6555 174.0164 105 R 4.1385 8.6119 122.7545 57.1183 30.5000 176.0579 106 L 4.4469 7.4547 118.3251 51.9372 42.2070 174.8576 107 D 4.2885 8.4937 123.6550 54.3678 41.6589 176.7489 108 S 4.1796 9.0181 121.7592 61.7727 62.3780 175.9526 109 R 3.9086 8.0088 118.2195 59.2358 29.2911 178.1043 110 Q 4.1423 8.2645 120.6433 57.6269 28.7121 177.7235 111 A 4.4091 7.5374 119.6306 54.3942 18.3217 178.7654 112 E 4.0293 8.3920 117.9593 58.2187 29.7469 177.5908 113 N 4.7844 8.6910 115.4937 52.8895 37.5172 175.9892 114 A 4.3029 7.4676 123.0152 54.2252 19.6663 179.4118 115 L 4.0438 7.7588 118.5898 58.2599 42.2027 178.8809 116 L 4.0742 7.3389 116.9891 57.9750 41.3135 179.6830 117 S 4.4364 7.5956 110.1414 59.5500 62.5734 174.4846 118 T 4.3434 7.7406 118.1398 61.7685 70.6468 172.0761 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 S 8.33 4.45 0.00 3.88 3.22 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 2 L 8.80 4.56 0.00 1.82 1.57 0.93 0.22 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 3 S 9.02 5.18 0.00 3.94 3.86 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 4 I 7.40 3.96 1.92 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 1.37 0.56 0.96 0.00 0.00 5 G 9.85 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 0.00 0.00 0.00 6 R 8.77 4.82 0.00 1.64 1.82 0.00 2.26 0.00 0.00 2.60 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.73 0.00 7 T 8.51 4.57 4.48 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 1.32 0.00 0.00 8 C 7.51 5.32 0.00 2.93 2.69 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 9 W 9.86 5.27 0.00 3.22 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 10 A 8.78 5.23 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.97 4.46 1.90 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 1.23 0.94 0.87 0.00 0.00 12 A 8.88 3.85 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 13 E 7.55 4.39 0.00 1.88 1.76 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 2.17 2.39 0.00 14 G 7.65 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 0.00 0.00 0.00 15 Y 7.90 5.32 0.00 2.96 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 16 I 7.87 4.58 1.61 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 0.62 0.00 0.00 17 P 0.00 4.62 0.00 2.04 2.01 0.00 3.60 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 18 P 0.00 4.60 0.00 2.07 2.07 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 *31 E 7.82 4.39 0.00 2.30 2.40 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 2.46 2.50 0.00 32 T 8.58 5.03 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 1.15 0.00 0.00 33 V 8.55 4.14 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 0.90 0.00 0.00 0.28 0.00 0.00 34 C 8.75 4.68 0.00 2.71 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 35 I 8.67 4.81 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.73 0.82 0.00 0.00 36 L 8.73 4.86 0.00 1.66 1.39 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.30 5.14 0.00 2.77 2.89 0.00 0.00 6.78 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 38 A 8.68 4.32 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 39 G 7.69 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 40 D 8.44 4.64 0.00 2.68 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 41 E 7.67 4.75 0.00 1.94 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 2.28 0.00 42 D 8.82 4.63 0.00 2.57 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 0.00 0.00 0.00 43 A 9.27 4.60 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 44 H 9.37 5.06 0.00 3.11 3.28 0.00 5.63 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.62 4.40 2.21 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 1.03 0.00 0.00 0.96 0.00 0.00 46 E 9.47 5.12 0.00 1.94 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 2.26 2.31 0.00 47 I 8.70 5.14 1.98 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 1.30 0.87 1.00 0.00 0.00 48 T 9.08 5.02 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 0.93 0.00 0.00 49 I 8.06 4.85 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.83 0.28 0.00 0.00 50 Y 9.32 4.86 0.00 2.83 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 51 Y 8.49 5.21 0.00 3.08 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 52 S 9.09 4.56 0.00 4.04 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 53 D 8.20 4.84 0.00 2.75 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 54 K 7.83 4.71 0.00 1.82 1.77 0.00 1.36 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.17 1.31 7.81 55 E 8.48 4.21 0.00 2.00 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 2.34 2.29 0.00 56 P 0.00 4.37 0.00 1.65 1.02 0.00 3.62 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 1.88 1.81 0.00 57 V 8.84 4.16 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 1.02 0.00 0.00 1.22 0.00 0.00 58 G 7.87 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 0.00 0.00 0.00 59 P 0.00 4.60 0.00 1.94 2.06 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 60 Y 9.36 4.47 0.00 3.04 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 61 R 8.46 4.64 0.00 1.71 1.87 0.00 3.23 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 62 L 8.09 4.47 0.00 1.69 1.48 0.90 1.21 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 63 T 8.62 5.22 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 1.33 0.00 0.00 64 V 8.96 4.30 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 0.97 0.00 0.00 0.92 0.00 0.00 65 P 0.00 4.95 0.00 1.97 1.98 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 66 A 9.04 4.16 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 67 R 8.46 3.77 0.00 1.90 1.96 0.00 3.15 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 68 R 8.10 4.75 0.00 1.87 1.75 0.00 3.22 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 69 T 7.91 4.96 4.24 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 1.20 0.00 0.00 70 K 8.76 4.23 0.00 1.79 1.56 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 1.33 7.81 71 H 9.07 5.06 0.00 2.97 3.19 0.00 5.90 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.48 4.24 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 0.82 0.00 0.00 0.85 0.00 0.00 73 R 8.41 4.40 0.00 2.01 1.85 0.00 3.18 0.00 0.00 3.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 74 F 8.92 4.21 0.00 3.34 2.99 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 75 N 8.29 4.37 0.00 2.70 2.88 0.00 0.00 7.00 8.47 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 76 D 7.78 4.57 0.00 2.92 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 77 L 7.87 4.37 0.00 2.00 1.52 0.88 -0.02 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 78 N 8.88 5.06 0.00 2.92 3.03 0.00 0.00 5.69 8.07 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 79 D 8.05 5.13 0.00 2.58 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 80 P 0.00 4.19 0.00 1.77 1.94 0.00 2.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 81 A 7.01 5.17 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 82 P 0.00 4.94 0.00 2.06 2.02 0.00 3.74 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 83 I 8.02 4.12 1.64 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.04 0.29 0.00 0.00 84 P 0.00 4.18 0.00 1.99 1.95 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.03 0.00 85 H 8.65 4.40 0.00 3.06 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.36 4.28 0.00 2.72 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 87 T 7.56 4.84 4.56 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 1.42 0.00 0.00 88 D 9.05 5.20 0.00 2.66 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 89 F 9.06 5.21 0.00 2.69 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 90 A 8.79 4.83 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 91 S 9.22 5.39 0.00 4.10 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 V 9.22 4.94 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 1.21 0.00 0.00 0.90 0.00 0.00 93 I 9.24 5.00 2.03 0.00 0.00 1.00 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 0.43 0.97 0.00 0.00 94 Q 9.10 5.28 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 95 S 8.74 5.18 0.00 3.91 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 96 N 8.34 4.57 0.00 2.91 2.96 0.00 0.00 6.72 7.55 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 97 V 7.31 4.56 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 0.76 0.00 0.00 0.99 0.00 0.00 98 P 0.00 4.74 0.00 1.99 2.13 0.00 3.65 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 2.05 2.11 0.00 99 I 9.14 4.89 1.95 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 1.41 1.02 1.02 0.00 0.00 100 V 8.60 4.62 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 0.90 0.00 0.00 1.00 0.00 0.00 101 V 5.75 4.34 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 0.00 0.00 0.57 0.00 0.00 0.25 0.00 0.00 102 Q 8.75 4.54 0.00 1.95 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.55 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 103 H 8.70 5.10 0.00 3.10 3.13 0.00 5.92 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.34 4.52 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 1.17 0.00 0.00 105 R 8.61 4.14 0.00 1.90 2.07 0.00 3.01 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 106 L 7.45 4.45 0.00 1.61 1.64 0.91 1.00 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 0.00 107 D 8.49 4.29 0.00 2.67 2.58 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 0.00 108 S 9.02 4.18 0.00 3.92 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 0.00 109 R 8.01 3.91 0.00 2.08 2.14 0.00 3.04 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 110 Q 8.26 4.14 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 111 A 7.54 4.41 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 0.00 112 E 8.39 4.03 0.00 2.16 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 0.00 2.30 2.31 0.00 113 N 8.69 4.78 0.00 2.92 3.00 0.00 0.00 6.67 7.34 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 0.00 114 A 7.47 4.30 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 0.00 115 L 7.76 4.04 0.00 1.77 1.83 0.92 0.67 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 0.00 116 L 7.34 4.07 0.00 1.75 1.71 1.02 0.88 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 0.00 117 S 7.60 4.44 0.00 4.12 3.88 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 0.00 118 T 7.74 4.34 4.24 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 1.32 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.