NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6756 8.3716 117.5180 52.7159 39.9809 172.6897 3 L 3.8541 8.3139 121.4282 54.1937 41.8962 174.6350 4 P 4.3933 0.0000 0.0000 62.8766 32.8306 176.6972 5 T 4.1024 9.3258 113.7946 61.1386 70.8215 175.4303 6 A 3.8749 8.4342 122.4720 55.5326 18.3636 179.6205 7 Q 3.9202 8.0974 115.8903 59.3550 28.6781 179.2079 8 E 3.8539 8.0247 119.3295 59.3011 29.4539 179.3110 9 V 3.0496 8.0127 118.6278 66.2096 31.4617 178.1501 10 Q 4.0672 7.9248 117.4770 58.6202 28.5051 178.9824 11 G 3.5040 7.8279 106.3055 47.8511 0.0000 175.7806 12 L 3.9844 7.9181 122.3995 57.6202 41.2457 179.6657 13 M 4.1712 8.2558 118.4895 58.3963 31.9103 178.7346 14 A 4.0006 8.1006 120.9199 54.8536 18.4799 179.7116 15 R 3.8532 8.0124 117.8979 59.4347 30.1703 178.7679 16 S 4.0619 8.2039 114.1977 61.5289 62.7048 176.6742 17 I 3.6213 7.4260 122.9734 63.8181 36.8373 178.0205 18 E 3.9234 8.0954 119.5776 59.5221 29.2767 179.5031 19 L 3.9545 7.9969 118.8950 57.6634 41.4349 179.6814 20 V 3.5064 7.5227 117.1981 65.9796 31.5277 177.1580 21 D 4.4705 8.0971 116.8840 57.5312 41.1924 178.3244 22 V 3.9207 7.7963 110.8029 61.9826 31.6980 177.1048 23 G 3.8042 8.0494 106.5699 46.3352 0.0000 174.5717 24 D 4.5699 7.7682 120.5161 52.5349 39.9455 176.0290 25 I 3.6645 7.9802 126.2627 64.1714 37.4839 177.3862 26 E 3.9521 8.2462 118.5162 59.4273 29.0493 179.2877 27 A 3.9798 7.9539 119.6562 54.9936 18.7813 179.2469 28 I 3.6973 7.7029 118.3903 64.7761 37.2020 178.7447 29 V 3.7965 7.9922 118.8817 66.1534 31.1441 177.7469 30 Q 4.0962 7.9791 118.0263 58.9115 29.1802 177.5493 31 M 4.1717 8.2018 119.0754 56.3611 32.1319 175.3168 32 Y 4.5714 7.4303 116.9828 55.8583 39.2241 175.3281 33 A 4.2013 8.5166 127.2673 52.4273 19.3164 178.5373 34 D 4.5421 8.7724 118.8093 55.3804 39.9247 177.5764 35 D 4.6401 7.9821 117.3632 52.6108 39.8641 175.5676 36 A 4.5104 7.4131 120.9267 53.1884 19.8843 177.3674 37 T 4.8752 8.6763 109.3166 59.7965 72.0333 173.2806 38 V 4.8268 8.5084 123.3173 61.1327 34.9581 173.9211 39 E 4.6966 9.0497 127.0443 54.6866 32.0916 175.1052 40 N 5.1018 8.3652 124.5065 51.3049 41.0645 172.0249 41 P 4.3820 0.0000 0.0000 61.7578 32.9180 175.5505 42 F 3.7885 8.4860 123.6814 59.7178 39.4789 174.5944 43 G 3.6341 7.8982 116.2091 45.8714 0.0000 173.8842 44 Q 4.1402 7.3130 119.4893 53.9057 29.9766 173.4630 45 P 4.1829 0.0000 0.0000 62.6064 31.7286 174.8690 46 P 4.7161 0.0000 0.0000 62.0363 32.7443 175.1923 47 I 4.6189 8.4150 114.7496 59.6234 40.2875 174.2678 48 H 5.1493 9.2369 120.7625 55.2803 31.7959 174.8054 49 G 4.1097 9.1549 107.4775 46.0180 0.0000 174.7196 50 R 3.9410 8.4401 119.7144 59.0342 29.9625 179.3824 51 E 3.9329 8.0815 118.6457 59.5044 29.7930 178.7871 52 Q 4.0602 8.0283 117.5141 58.8255 28.7635 178.6732 53 I 3.6889 7.6846 120.8798 64.1154 37.1746 178.1771 54 A 4.1636 8.5141 121.8504 55.1689 18.2065 179.5783 55 A 3.9676 8.2783 119.3674 55.0602 18.3447 179.1825 56 F 3.7402 8.3342 119.2985 62.1479 39.3229 177.2735 57 Y 3.9189 8.2448 115.7037 60.7257 37.4097 178.7771 58 R 3.9947 7.8837 118.8275 59.2022 30.2664 178.4159 59 Q 4.1292 7.9051 118.6482 58.8707 29.1029 177.9300 60 G 3.4165 7.7327 106.1884 45.2677 0.0000 173.7635 61 L 4.4802 7.6419 120.9968 52.4074 43.4345 175.8819 *65 K 4.0259 8.4283 123.4800 56.1739 32.8377 174.8356 66 V 4.6889 8.2441 125.1410 61.4028 34.5587 174.3054 67 R 5.0568 9.0106 125.7214 54.5917 33.8232 174.5772 68 A 5.2626 9.1799 122.4810 50.9586 22.7085 175.6258 69 C 4.8547 9.0994 118.4642 57.4995 32.5922 173.7706 70 L 4.5695 8.8702 123.1022 55.6829 41.7135 177.2271 71 T 4.4632 8.7855 112.1057 60.5786 69.1431 173.5698 72 G 3.9488 7.3265 109.9269 44.7714 0.0000 171.3527 73 P 4.4309 0.0000 0.0000 62.2113 31.8698 176.1313 74 V 3.8325 8.1221 119.8346 63.0414 32.3779 175.3217 75 R 4.5208 9.4413 127.4418 55.0696 31.2461 175.4413 76 A 5.1754 8.5987 125.9211 50.4306 21.8119 175.5655 77 S 4.7420 8.4643 114.6026 56.8639 65.9682 174.0762 78 H 4.8984 8.7478 116.6416 55.8413 28.6764 174.5501 79 N 4.9628 8.1303 117.0221 52.7257 37.5247 175.3279 80 G 3.9566 8.6331 104.7566 46.8846 0.0000 173.0059 81 C 5.5208 7.6103 116.0096 58.1225 32.5266 172.7690 82 G 4.6063 8.9231 106.4411 45.9245 0.0000 171.8786 83 A 5.5869 9.0468 121.0606 50.6089 23.1653 175.1766 84 M 5.1480 9.0269 116.3965 53.5317 35.2235 171.8981 85 P 5.4741 0.0000 0.0000 61.8631 34.1821 174.1481 86 F 5.2433 8.5281 116.4107 56.4867 42.0871 172.3433 87 R 4.8751 9.1889 118.5383 54.5808 33.5206 173.6334 88 V 4.9266 9.0285 126.3151 61.3707 33.7567 173.9831 89 E 5.2482 9.1814 128.0305 55.1722 32.3610 175.1248 90 M 5.1194 8.6429 119.6846 54.9281 35.3453 173.0921 91 V 4.5994 8.3834 118.0793 60.9393 33.5297 174.4697 92 W 4.6787 9.2707 135.0000 56.3954 31.5248 174.9366 93 N 4.2538 9.7352 124.0757 54.2457 34.9551 175.2603 94 G 3.8704 7.9863 105.5021 45.3572 0.0000 171.5616 95 Q 4.4945 7.6798 119.7332 53.2679 29.4375 173.4254 96 P 4.8042 0.0000 0.0000 62.7370 32.1944 175.4566 97 C 4.9858 9.4050 116.6819 57.3045 33.8016 172.1826 98 A 5.1990 9.0627 119.0807 50.3452 22.7705 175.0735 99 L 5.0364 8.9956 121.7539 53.4278 45.6100 174.8141 100 D 5.1284 8.5934 126.3492 53.0456 42.1825 176.1634 101 V 4.6547 8.3149 122.3415 61.0763 35.6569 173.8940 102 I 4.9996 8.5367 125.4781 59.6122 40.6638 174.0998 103 D 5.6530 9.2873 125.9257 52.6896 43.7140 175.2990 104 V 4.9820 9.1491 123.2273 61.5316 34.0825 174.3277 105 M 5.3779 9.2937 126.2531 53.5814 36.7618 174.0423 106 R 5.0830 8.6590 120.9318 54.7489 33.2568 174.6358 107 F 5.3023 9.2746 124.2458 56.0852 41.9701 175.0358 108 D 4.9562 8.5936 120.9642 51.6719 41.3678 176.5972 109 E 4.2473 8.5426 115.0012 58.2880 29.9096 177.2312 110 H 4.7693 8.3025 115.7850 55.1443 29.1928 174.7101 111 G 3.9266 8.0252 107.4428 47.0028 0.0000 174.0826 112 R 4.8464 8.5237 117.6192 53.6453 33.0358 175.6715 113 I 3.5255 8.4255 122.6009 61.4575 37.4975 176.7497 114 Q 4.0896 9.2190 129.9263 58.6529 30.3361 175.8141 115 T 5.2825 7.6138 113.8840 61.9719 73.2174 172.7504 116 M 5.2941 9.0305 124.1230 53.9619 36.3388 173.9406 117 Q 5.0316 9.1815 123.0386 54.1456 33.1724 173.8476 118 A 5.3794 9.1404 126.5477 50.6083 21.4480 174.8232 119 Y 4.7665 9.7786 122.6367 57.4454 39.2956 175.2398 120 W 4.9761 8.1582 119.6023 56.7923 30.7303 173.9836 121 S 4.2099 8.7516 113.7745 57.6858 64.9362 174.2401 122 E 4.1513 8.8255 117.7616 59.6167 29.4688 179.4960 123 V 3.6685 7.8657 111.2611 63.8892 31.8918 176.4213 124 N 4.7613 8.5958 116.3926 52.9450 38.7140 173.6836 125 L 5.0990 7.7425 121.1466 53.7799 43.8851 175.9645 126 S 4.8381 8.8318 120.5407 56.5592 67.6350 174.5181 127 V 4.3570 8.3938 122.0447 61.5172 31.0444 175.9694 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 2 N 8.37 4.68 0.00 2.71 2.86 0.00 0.00 6.89 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 3 L 8.31 3.85 0.00 1.66 1.60 0.96 0.62 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 4 P 0.00 4.39 0.00 1.81 1.71 0.00 3.74 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 5 T 9.33 4.10 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 1.24 0.00 0.00 6 A 8.43 3.87 1.25 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 7 Q 8.10 3.92 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 8 E 8.02 3.85 0.00 2.14 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 0.00 2.25 2.25 0.00 9 V 8.01 3.05 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 1.08 0.00 0.00 0.72 0.00 0.00 10 Q 7.92 4.07 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 11 G 7.83 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 3.98 0.00 1.29 1.73 0.40 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.26 4.17 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.84 0.00 14 A 8.10 4.00 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 15 R 8.01 3.85 0.00 1.95 2.09 0.00 3.08 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 16 S 8.20 4.06 0.00 4.02 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 17 I 7.43 3.62 1.90 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.68 0.78 0.00 0.00 18 E 8.10 3.92 0.00 2.13 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 2.30 2.48 0.00 19 L 8.00 3.95 0.00 1.74 1.63 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.52 3.51 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 0.87 0.00 0.00 0.91 0.00 0.00 21 D 8.10 4.47 0.00 2.90 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 22 V 7.80 3.92 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 0.82 0.00 0.00 0.98 0.00 0.00 23 G 8.05 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 24 D 7.77 4.57 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 25 I 7.98 3.66 1.89 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 1.72 0.59 0.98 0.00 0.00 26 E 8.25 3.95 0.00 2.01 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 2.42 2.40 0.00 27 A 7.95 3.98 1.40 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 28 I 7.70 3.70 1.79 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.82 0.31 0.00 0.00 29 V 7.99 3.80 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 1.11 0.00 0.00 1.05 0.00 0.00 30 Q 7.98 4.10 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 31 M 8.20 4.17 0.00 1.92 2.19 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 32 Y 7.43 4.57 0.00 3.24 2.97 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 33 A 8.52 4.20 1.42 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 34 D 8.77 4.54 0.00 2.87 2.97 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 35 D 7.98 4.64 0.00 2.80 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 36 A 7.41 4.51 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 37 T 8.68 4.88 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 1.22 0.00 0.00 38 V 8.51 4.83 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 0.66 0.00 0.00 0.66 0.00 0.00 39 E 9.05 4.70 0.00 1.93 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 2.08 2.15 0.00 40 N 8.37 5.10 0.00 2.45 2.21 0.00 0.00 7.27 7.69 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 41 P 0.00 4.38 0.00 1.41 0.49 0.00 3.67 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 1.63 1.09 0.00 42 F 8.49 3.79 0.00 2.18 2.44 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 0.00 43 G 7.90 3.63 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 0.00 0.00 0.00 44 Q 7.31 4.14 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 45 P 0.00 4.18 0.00 2.03 1.93 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 46 P 0.00 4.72 0.00 1.70 1.82 0.00 3.59 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 1.97 1.97 0.00 47 I 8.42 4.62 1.94 0.00 0.00 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 1.07 0.55 0.87 0.00 0.00 48 H 9.24 5.15 0.00 2.98 3.22 0.00 5.85 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 49 G 9.15 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 50 R 8.44 3.94 0.00 1.92 2.05 0.00 3.18 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 51 E 8.08 3.93 0.00 2.01 1.95 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 2.39 2.36 0.00 52 Q 8.03 4.06 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 53 I 7.68 3.69 1.96 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.64 0.60 0.00 0.00 54 A 8.51 4.16 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.28 3.97 1.42 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 56 F 8.33 3.74 0.00 3.02 3.04 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 0.00 0.00 0.00 57 Y 8.24 3.92 0.00 3.18 3.07 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 58 R 7.88 3.99 0.00 1.94 1.99 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 59 Q 7.91 4.13 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 60 G 7.73 3.42 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 61 L 7.64 4.48 0.00 1.68 1.62 1.09 0.89 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 *65 K 8.43 4.03 0.00 1.75 1.78 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 66 V 8.24 4.69 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 0.96 0.00 0.00 67 R 9.01 5.06 0.00 1.79 1.85 0.00 3.17 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 68 A 9.18 5.26 1.21 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 69 C 9.10 4.85 0.00 2.90 2.81 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 70 L 8.87 4.57 0.00 1.55 1.82 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.79 4.46 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 1.29 0.00 0.00 72 G 7.33 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 73 P 0.00 4.43 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 74 V 8.12 3.83 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 0.82 0.00 0.00 1.00 0.00 0.00 75 R 9.44 4.52 0.00 1.92 1.84 0.00 3.31 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 76 A 8.60 5.18 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 77 S 8.46 4.74 0.00 3.85 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 78 H 8.75 4.90 0.00 3.17 3.31 0.00 5.64 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 79 N 8.13 4.96 0.00 2.81 2.86 0.00 0.00 6.94 6.50 0.00 0.00 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 G 8.63 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 0.00 0.00 0.00 81 C 7.61 5.52 0.00 2.89 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 82 G 8.92 4.61 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 83 A 9.05 5.59 1.18 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 0.00 0.00 84 M 9.03 5.15 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.64 0.00 85 P 0.00 5.47 0.00 2.16 2.21 0.00 3.92 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 86 F 8.53 5.24 0.00 3.14 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 87 R 9.19 4.88 0.00 1.99 1.79 0.00 3.07 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 88 V 9.03 4.93 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 0.90 0.00 0.00 1.13 0.00 0.00 89 E 9.18 5.25 0.00 1.91 1.82 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 2.24 2.23 0.00 90 M 8.64 5.12 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 91 V 8.38 4.60 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 0.88 0.00 0.00 0.96 0.00 0.00 92 W 9.27 4.68 0.00 3.30 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 93 N 9.74 4.25 0.00 2.41 2.68 0.00 0.00 7.22 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 94 G 7.99 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 95 Q 7.68 4.49 0.00 2.36 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 96 P 0.00 4.80 0.00 2.20 2.00 0.00 3.60 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 97 C 9.40 4.99 0.00 3.10 3.11 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 98 A 9.06 5.20 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 99 L 9.00 5.04 0.00 1.41 1.19 0.84 0.03 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 0.00 100 D 8.59 5.13 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.65 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 1.10 0.00 0.00 0.54 0.00 0.00 102 I 8.54 5.00 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.86 0.87 0.00 0.00 103 D 9.29 5.65 0.00 2.97 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 0.00 104 V 9.15 4.98 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 1.01 0.00 0.00 0.93 0.00 0.00 105 M 9.29 5.38 0.00 1.43 1.89 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 106 R 8.66 5.08 0.00 1.88 1.72 0.00 3.09 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 107 F 9.27 5.30 0.00 2.95 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 0.00 108 D 8.59 4.96 0.00 2.94 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 0.00 109 E 8.54 4.25 0.00 2.08 2.20 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 2.05 2.18 0.00 110 H 8.30 4.77 0.00 3.32 3.40 0.00 6.01 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.03 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 0.00 112 R 8.52 4.85 0.00 2.16 1.91 0.00 3.17 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 113 I 8.43 3.53 1.04 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.25 0.57 0.00 0.00 114 Q 9.22 4.09 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 115 T 7.61 5.28 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 1.25 0.00 0.00 116 M 9.03 5.29 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 117 Q 9.18 5.03 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 118 A 9.14 5.38 1.55 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 0.00 0.00 119 Y 9.78 4.77 0.00 3.02 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 0.00 120 W 8.16 4.98 0.00 3.38 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 0.00 121 S 8.75 4.21 0.00 3.87 3.83 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 0.00 122 E 8.83 4.15 0.00 2.13 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 2.42 2.44 0.00 123 V 7.87 3.67 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 0.72 0.00 0.00 0.97 0.00 0.00 124 N 8.60 4.76 0.00 3.10 3.01 0.00 0.00 6.38 6.71 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 0.00 125 L 7.74 5.10 0.00 1.83 1.58 0.80 0.66 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 0.00 126 S 8.83 4.84 0.00 3.76 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 0.00 127 V 8.39 4.36 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 0.82 0.00 0.00 1.05 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.