NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 5.0839 8.1832 117.8999 53.4377 40.2257 171.6817 3 I 4.8886 8.1582 124.5966 59.1409 39.6049 172.9241 4 N 5.4378 10.2568 126.2621 51.6536 42.0017 173.9363 5 I 4.9415 8.6072 122.8434 59.6814 40.4888 174.9787 6 V 4.5169 9.0693 129.8678 62.0926 32.3395 174.9699 7 T 5.2219 8.6425 117.6221 59.0037 72.6214 172.5032 8 I 4.3236 8.2709 122.0713 60.5407 38.9677 177.2381 9 G 4.0669 9.2418 112.3818 45.5692 0.0000 172.6627 10 K 4.5706 8.0206 117.8674 54.2071 33.7196 177.2732 11 L 4.0415 8.2560 122.5660 55.2485 40.0388 177.2049 12 K 3.9887 8.2907 124.7482 57.6857 32.7250 176.7341 13 E 4.2634 7.8113 118.7270 55.2260 29.3431 176.6750 14 K 3.8747 8.9570 125.1636 59.7166 32.1640 179.1773 15 Y 4.2495 8.1439 116.1806 59.8216 38.4353 178.0615 16 L 3.8961 6.8183 120.7700 57.3218 41.5219 178.3336 17 K 3.7190 7.5194 118.8886 60.3391 31.8618 178.4917 18 Q 4.2638 8.0142 117.1520 59.0039 28.6398 178.6446 19 G 3.6728 7.6951 107.2017 47.8273 0.0000 175.7098 20 I 3.7850 8.3461 123.0652 64.1407 36.9989 178.2580 21 E 3.9775 8.6573 119.6866 59.6304 29.1765 179.6559 22 E 3.9142 8.4256 118.6066 59.6581 29.6222 178.9524 23 Y 3.9418 7.6752 116.3414 61.3373 37.6899 178.4704 24 T 3.9845 8.5117 116.1246 66.4644 68.6492 176.3010 25 K 4.1281 7.7648 121.3204 59.6532 32.2010 179.2453 26 R 4.1332 8.0164 116.5962 58.6862 30.2957 178.0551 27 L 4.6270 8.3070 119.9591 57.2524 42.5007 178.3627 28 S 5.1202 8.2081 115.7325 60.2088 62.4126 176.3268 29 A 3.8703 7.9171 124.2317 55.1511 18.4755 178.2696 30 Y 4.0256 7.8433 111.9961 60.4666 38.4499 175.8465 31 A 4.3225 7.1261 116.8602 50.8707 22.3389 174.8634 32 K 4.6585 8.4400 122.7708 55.5586 33.1718 176.0980 33 I 4.5493 8.3210 121.2150 59.9371 40.4015 174.9007 34 D 4.6112 9.0057 122.5061 53.0148 44.1505 174.1305 35 I 4.4957 8.5172 127.5564 61.1405 38.4846 175.9571 36 I 4.3292 9.2506 128.3492 59.6698 38.7813 174.0596 37 E 4.8087 8.6720 127.2188 55.1079 30.3311 175.8920 38 L 4.8438 8.1892 125.4041 52.8685 43.4639 174.4228 39 P 4.5943 0.0000 0.0000 63.0771 31.9923 176.0219 40 D 4.3263 8.4899 121.6746 54.0748 41.4600 176.8225 *55 I 3.8254 7.9095 114.0490 61.0635 36.0686 175.2172 56 K 4.2751 8.2029 126.5608 57.1175 32.7108 177.6003 57 D 4.3468 7.8207 117.5447 56.5014 40.7795 178.0188 58 K 4.1869 7.8075 122.0961 59.0926 32.3292 178.3334 59 E 4.0838 7.7758 118.9040 59.3022 29.2645 179.4972 60 G 3.8090 7.9975 106.6691 47.3653 0.0000 175.2787 61 D 4.3079 7.9924 120.6717 57.2224 40.5723 179.1104 62 R 3.9728 7.4992 117.7539 59.0972 30.2721 178.9665 63 I 3.8514 8.2815 119.8886 64.4347 37.1588 178.2639 64 L 4.0223 8.5892 120.5028 57.8931 41.2848 179.4242 65 S 4.3586 8.0946 109.6636 59.2019 62.8004 174.3259 66 K 4.4242 8.0180 122.2945 56.2214 33.6513 175.5912 67 I 4.2396 7.8074 120.3364 60.2610 38.2895 175.6071 68 S 4.4096 8.4240 120.3114 57.0172 63.0832 173.1059 69 P 4.3049 0.0000 0.0000 65.4323 31.2775 176.6738 70 D 4.6680 8.0679 116.3478 53.1006 39.5849 175.4282 71 A 4.7596 7.5152 121.1248 51.3734 20.7157 176.8661 72 H 4.6286 9.0397 121.8329 55.1751 31.5400 174.1301 73 V 4.5060 9.0032 127.2467 61.4483 33.2512 174.6960 74 I 4.3561 8.5229 130.8096 59.9598 38.3428 174.6628 75 A 4.7882 8.8573 130.7276 50.4938 20.6249 175.8444 76 L 5.3735 8.8548 123.3420 53.6678 42.6675 176.6404 77 A 4.6919 8.5119 125.0820 50.2447 22.2080 176.5347 78 I 3.5868 8.8370 116.5322 64.1055 37.3831 176.9008 79 E 4.1446 8.1118 115.3314 56.5364 29.6940 176.5091 80 G 3.8692 8.0855 108.1829 45.8484 0.0000 174.5699 81 K 4.4557 8.6120 122.9996 56.2398 34.4506 176.9324 *83 K 4.5547 8.5634 123.8909 57.3798 33.7148 176.2359 84 T 4.2124 8.4540 113.4588 60.7449 69.8611 175.9587 85 S 4.0581 8.3796 116.7606 61.3512 63.0480 176.1216 86 E 4.0316 7.9927 121.7020 59.4469 29.4274 178.8382 87 E 3.8769 8.3202 118.7705 59.3809 29.3006 179.0779 88 L 4.0474 7.8829 119.1738 57.1369 42.0989 178.6293 89 A 3.9799 8.0027 121.2968 54.8165 18.4049 178.9432 90 D 4.1855 7.8092 116.1177 57.8601 41.3648 178.3280 91 T 3.6716 7.6916 116.0291 66.8787 68.5425 176.6451 92 I 3.6933 7.3219 120.1826 64.0274 36.7887 178.0369 93 D 4.2370 8.0937 118.9946 57.1055 41.0694 177.9935 94 K 3.8985 8.6244 121.0503 59.6759 31.7606 178.3531 95 L 3.8899 7.9227 118.8579 58.0656 41.3465 179.5379 96 A 4.1478 7.7239 118.6908 55.3936 18.6876 179.3737 97 T 4.2178 7.7346 113.9715 66.2190 68.4540 175.7932 98 Y 4.2521 8.1235 116.7808 57.9077 38.0383 176.0875 99 G 4.0503 7.8435 109.7912 45.4702 0.0000 174.6938 100 K 4.1985 7.1936 117.7793 57.1107 29.8233 176.7545 101 S 4.3292 8.3342 116.3451 58.9445 63.9532 174.7283 102 K 4.6876 7.9428 121.5309 54.8580 34.5691 174.9664 103 V 4.6981 8.4770 125.5445 61.2552 34.2333 174.2811 104 T 5.1730 8.7233 124.7371 61.8807 71.4003 173.0279 105 F 5.1712 9.3737 125.9669 56.0134 41.4984 174.9808 106 V 4.9092 8.8949 123.1005 61.1465 33.7997 174.0953 107 I 4.8081 8.9374 128.8841 59.3997 39.7812 175.7477 108 G 3.6965 8.8059 114.3945 45.7920 0.0000 174.1846 109 G 3.8638 8.1348 109.3464 44.3887 0.0000 173.8734 110 S 4.1645 8.8296 113.6961 61.4444 62.7001 175.8779 111 L 3.9782 7.7732 119.4586 56.4627 40.5533 177.5850 112 G 3.7919 7.9415 106.0776 44.2250 0.0000 171.7938 113 L 4.7329 7.9981 118.4974 52.5454 43.9472 176.6977 114 S 4.3820 8.3527 117.2839 57.8532 63.9294 174.6450 115 D 4.4043 8.8286 122.1591 57.9609 41.0198 178.6738 116 T 4.0319 7.8548 108.6227 64.4473 69.0777 176.1280 117 V 3.7621 7.6680 121.8297 62.9126 31.0815 177.5853 *119 K 4.1874 8.1351 120.8913 55.9148 33.6406 176.7547 120 R 3.9265 7.8739 117.4723 58.5273 30.2223 176.7643 121 A 4.0156 7.3802 121.0613 52.7752 18.6446 176.9493 122 D 4.6244 8.3919 122.8421 56.2553 41.9905 177.0751 123 E 4.7081 7.8145 116.7374 54.7216 34.4349 174.2301 124 K 4.9537 8.7272 122.9743 54.6316 34.7960 174.6754 125 L 5.1235 9.2923 127.7523 53.2581 44.6170 174.8498 126 S 5.2593 9.0098 121.2019 56.8721 64.1451 173.7744 127 F 4.4383 9.1124 123.2681 56.7993 39.9315 175.7670 128 S 4.7762 7.1860 115.6339 58.0243 64.1948 177.3267 129 K 4.1146 8.0860 119.9019 56.3613 30.8981 178.3179 *131 T 3.9750 7.5761 114.0309 63.5004 69.8132 174.0593 132 F 5.3156 8.2855 124.6837 54.7304 41.5649 173.8903 133 P 4.3965 0.0000 0.0000 62.6941 31.6578 177.3322 134 H 4.1878 8.8666 118.3577 58.4121 28.8903 176.8037 135 Q 4.0565 7.8957 118.4016 59.0492 28.9431 179.3476 136 L 3.9732 7.3843 122.6155 54.1965 41.5857 178.7696 *138 R 4.1043 8.2017 118.3442 56.0181 32.1269 176.8299 139 L 3.8716 7.5013 117.5019 58.3774 42.0869 178.7010 140 I 3.6589 7.7881 119.8609 64.4873 37.0196 178.1990 141 L 3.8943 7.5664 120.4040 58.1415 42.0763 178.9782 142 V 3.5474 7.5790 118.0900 65.7903 31.3718 177.6846 143 E 3.1292 7.9548 119.1429 58.9809 29.3891 178.7961 144 Q 3.9679 8.0023 118.0909 58.9378 28.7853 178.6563 145 I 3.6337 7.7053 120.7547 64.6305 37.2608 177.6017 146 Y 4.0464 8.0545 120.0785 60.8909 38.6551 178.1887 147 R 3.9099 8.6004 119.5719 59.3186 30.1377 178.2314 148 A 3.8112 8.4786 120.7516 55.3429 18.3388 179.6089 149 F 3.9121 7.8029 116.1391 60.7669 38.6465 178.2226 150 R 3.7669 7.3105 116.3243 58.9806 29.8613 178.7643 151 I 3.8943 7.3475 118.8178 63.6947 37.1641 177.3815 152 N 4.5656 7.8884 116.3560 54.4236 38.8746 175.6413 153 R 4.3691 8.1593 124.3033 56.3858 30.4073 175.4541 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 8.18 5.08 0.00 2.90 2.91 0.00 0.00 6.89 6.16 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 3 I 8.16 4.89 2.05 0.00 0.00 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 1.58 1.13 1.32 0.00 0.00 4 N 10.26 5.44 0.00 2.66 2.75 0.00 0.00 6.36 7.27 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 5 I 8.61 4.94 1.92 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 1.23 1.10 0.94 0.00 0.00 6 V 9.07 4.52 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 1.00 0.00 0.00 0.96 0.00 0.00 7 T 8.64 5.22 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 1.22 0.00 0.00 8 I 8.27 4.32 1.75 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 1.41 0.93 0.98 0.00 0.00 9 G 9.24 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 10 K 8.02 4.57 0.00 1.72 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.50 7.81 11 L 8.26 4.04 0.00 1.62 1.58 0.92 0.81 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 12 K 8.29 3.99 0.00 1.68 1.81 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.51 7.81 13 E 7.81 4.26 0.00 1.35 1.58 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 2.17 2.02 0.00 14 K 8.96 3.87 0.00 1.87 1.94 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.44 7.81 15 Y 8.14 4.25 0.00 3.12 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 16 L 6.82 3.90 0.00 1.33 1.56 0.68 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.52 3.72 0.00 1.96 1.84 0.00 1.49 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.66 7.81 18 Q 8.01 4.26 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 19 G 7.70 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.35 3.79 2.01 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 1.53 0.91 0.93 0.00 0.00 21 E 8.66 3.98 0.00 2.07 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 2.34 2.57 0.00 22 E 8.43 3.91 0.00 2.14 1.66 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 0.00 2.20 2.26 0.00 23 Y 7.68 3.94 0.00 2.97 2.92 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 24 T 8.51 3.98 4.28 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 1.26 0.00 0.00 25 K 7.76 4.13 0.00 1.94 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.48 7.81 26 R 8.02 4.13 0.00 1.89 2.24 0.00 3.37 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.44 0.00 27 L 8.31 4.63 0.00 2.25 2.04 1.04 0.74 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 28 S 8.21 5.12 0.00 4.04 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 29 A 7.92 3.87 0.98 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 30 Y 7.84 4.03 0.00 2.44 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 31 A 7.13 4.32 1.09 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 0.00 0.00 32 K 8.44 4.66 0.00 1.90 1.72 0.00 1.62 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.51 7.81 33 I 8.32 4.55 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.83 1.01 0.00 0.00 34 D 9.01 4.61 0.00 2.71 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 35 I 8.52 4.50 1.89 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 1.36 0.55 0.92 0.00 0.00 36 I 9.25 4.33 1.89 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 1.25 1.25 0.92 0.00 0.00 37 E 8.67 4.81 0.00 1.85 2.05 0.00 0.00 0.00 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 2.30 0.00 38 L 8.19 4.84 0.00 1.70 1.75 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.59 0.00 1.95 2.05 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 40 D 8.49 4.33 0.00 2.66 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 *55 I 7.91 3.83 1.87 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 1.30 0.53 0.91 0.00 0.00 56 K 8.20 4.28 0.00 1.77 1.81 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.48 7.81 57 D 7.82 4.35 0.00 2.80 2.68 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 58 K 7.81 4.19 0.00 1.81 1.80 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.39 7.81 59 E 7.78 4.08 0.00 2.16 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 2.32 2.32 0.00 60 G 8.00 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 61 D 7.99 4.31 0.00 2.85 2.73 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 0.00 0.00 0.00 62 R 7.50 3.97 0.00 1.85 1.99 0.00 3.33 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 63 I 8.28 3.85 2.03 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 1.52 0.72 0.91 0.00 0.00 64 L 8.59 4.02 0.00 1.83 1.73 0.92 1.00 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 65 S 8.09 4.36 0.00 4.01 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 66 K 8.02 4.42 0.00 1.94 1.83 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.42 7.81 67 I 7.81 4.24 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.90 0.90 0.00 0.00 68 S 8.42 4.41 0.00 3.86 3.72 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 69 P 0.00 4.30 0.00 2.22 2.17 0.00 3.81 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 1.99 1.95 0.00 70 D 8.07 4.67 0.00 2.81 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 71 A 7.52 4.76 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 72 H 9.04 4.63 0.00 3.18 3.13 0.00 5.56 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 9.00 4.51 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 0.86 0.00 0.00 0.88 0.00 0.00 74 I 8.52 4.36 1.16 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.18 1.02 0.00 0.00 75 A 8.86 4.79 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 76 L 8.85 5.37 0.00 1.68 1.64 1.18 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.51 4.69 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 78 I 8.84 3.59 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 0.86 0.00 0.00 79 E 8.11 4.14 0.00 2.07 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 0.00 2.27 2.36 0.00 80 G 8.09 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 81 K 8.61 4.46 0.00 1.67 1.65 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.55 7.81 *83 K 8.56 4.55 0.00 1.55 1.70 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.39 7.81 84 T 8.45 4.21 4.33 0.00 0.00 0.00 0.00 0.00 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 85 S 8.38 4.06 0.00 4.09 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 86 E 7.99 4.03 0.00 2.03 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 2.37 2.43 0.00 87 E 8.32 3.88 0.00 2.16 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 2.29 2.28 0.00 88 L 7.88 4.05 0.00 1.70 1.75 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.00 3.98 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 90 D 7.81 4.19 0.00 2.67 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 91 T 7.69 3.67 4.19 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 1.15 0.00 0.00 92 I 7.32 3.69 1.59 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 1.40 1.03 0.49 0.00 0.00 93 D 8.09 4.24 0.00 2.90 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 94 K 8.62 3.90 0.00 1.77 1.79 0.00 1.48 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.88 1.12 7.81 95 L 7.92 3.89 0.00 1.82 1.66 0.78 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.72 4.15 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 97 T 7.73 4.22 4.63 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 1.28 0.00 0.00 98 Y 8.12 4.25 0.00 2.85 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 99 G 7.84 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.19 4.20 0.00 1.80 1.83 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 101 S 8.33 4.33 0.00 4.01 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 0.00 102 K 7.94 4.69 0.00 1.68 1.77 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.58 7.81 103 V 8.48 4.70 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 0.66 0.00 0.00 0.94 0.00 0.00 104 T 8.72 5.17 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 1.24 0.00 0.00 105 F 9.37 5.17 0.00 2.97 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 0.00 106 V 8.89 4.91 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 0.99 0.00 0.00 0.94 0.00 0.00 107 I 8.94 4.81 1.87 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 1.13 1.07 0.90 0.00 0.00 108 G 8.81 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 0.00 109 G 8.13 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 0.00 0.00 0.00 110 S 8.83 4.16 0.00 4.02 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 0.00 111 L 7.77 3.98 0.00 1.77 1.84 0.95 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.94 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 0.00 113 L 8.00 4.73 0.00 1.61 1.57 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.35 4.38 0.00 4.19 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 0.00 115 D 8.83 4.40 0.00 2.68 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 0.00 116 T 7.85 4.03 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 1.21 0.00 0.00 117 V 7.67 3.76 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 0.90 0.00 0.00 0.93 0.00 0.00 *119 K 8.14 4.19 0.00 1.92 1.94 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.43 7.81 120 R 7.87 3.93 0.00 1.81 2.07 0.00 3.35 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 121 A 7.38 4.02 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 0.00 122 D 8.39 4.62 0.00 2.23 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 0.00 123 E 7.81 4.71 0.00 1.80 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 2.28 2.32 0.00 124 K 8.73 4.95 0.00 1.69 1.72 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.39 7.81 125 L 9.29 5.12 0.00 1.79 1.66 nan 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.01 5.26 0.00 3.99 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 0.00 127 F 9.11 4.44 0.00 2.90 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 0.00 128 S 7.19 4.78 0.00 3.97 3.90 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 0.00 129 K 8.09 4.11 0.00 1.75 1.83 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.39 7.81 *131 T 7.58 3.97 4.28 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 1.23 0.00 0.00 132 F 8.29 5.32 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 0.00 133 P 0.00 4.40 0.00 2.15 1.95 0.00 3.64 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 2.12 2.11 0.00 134 H 8.87 4.19 0.00 3.25 3.52 0.00 5.72 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.90 4.06 0.00 2.10 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.30 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 136 L 7.38 3.97 0.00 1.66 1.80 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 *138 R 8.20 4.10 0.00 1.88 2.01 0.00 3.21 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 139 L 7.50 3.87 0.00 1.83 1.79 1.05 1.12 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 0.00 140 I 7.79 3.66 1.75 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 1.39 0.51 1.10 0.00 0.00 141 L 7.57 3.89 0.00 1.42 1.65 0.42 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.58 3.55 2.13 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 1.01 0.00 0.00 0.95 0.00 0.00 143 E 7.95 3.13 0.00 1.62 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 1.48 2.21 0.00 144 Q 8.00 3.97 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.74 2.52 0.00 145 I 7.71 3.63 2.06 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.47 1.19 0.00 0.00 146 Y 8.05 4.05 0.00 3.17 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 0.00 147 R 8.60 3.91 0.00 1.99 2.16 0.00 3.32 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 148 A 8.48 3.81 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 0.00 0.00 0.00 0.00 0.00 149 F 7.80 3.91 0.00 2.76 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 0.00 150 R 7.31 3.77 0.00 1.79 1.90 0.00 3.25 0.00 0.00 3.02 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.27 0.00 151 I 7.35 3.89 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.66 0.87 0.00 0.00 152 N 7.89 4.57 0.00 2.65 2.85 0.00 0.00 6.83 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 0.00 153 R 8.16 4.37 0.00 1.99 1.95 0.00 3.45 0.00 0.00 3.71 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 * Residues marked with a * may have inaccurate shift predictions.