NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 C 4.4347 8.3449 118.3688 59.4705 29.4323 173.5382 6 E 4.1226 8.4451 122.8161 55.7384 29.6365 174.1623 7 M 4.7200 8.6364 124.6336 54.3799 34.1629 175.6605 8 K 4.7209 9.2639 122.8242 54.7558 36.0011 175.0905 9 R 5.2495 8.5857 123.8506 54.9297 33.7227 174.5415 10 T 4.8584 8.7696 115.3977 60.9357 71.4068 172.4116 11 T 5.1987 8.4569 114.9515 59.8219 72.0102 172.9258 12 L 4.7783 8.6992 124.4036 53.3407 45.4596 175.4075 13 D 4.8750 8.8200 126.2684 54.5705 41.8141 175.6761 14 S 4.2996 8.1538 114.0782 56.1793 65.9999 173.5252 15 P 4.0783 0.0000 0.0000 64.8422 31.0485 177.3626 16 L 4.0852 7.3800 117.0388 54.0741 42.0072 176.8965 17 G 3.7708 7.7863 107.4113 43.8450 0.0000 172.6980 18 K 4.3278 8.0280 118.0108 56.2860 33.2519 176.5223 19 L 4.9407 8.7719 124.8083 52.8497 44.4443 174.8605 20 E 4.8374 9.0070 125.6631 54.7088 31.5060 174.3249 21 L 5.3743 9.0091 127.8046 53.0183 44.5272 175.7225 22 S 5.2379 8.7903 117.5156 56.8825 66.7025 173.0600 23 G 4.4147 8.4080 107.2677 46.2504 0.0000 171.5675 24 C 5.5171 8.6334 115.3483 55.0023 32.6223 174.4745 25 E 4.0922 8.9367 115.4904 58.9282 29.2595 177.5435 26 Q 4.2193 8.3330 116.9210 55.3590 29.6729 175.5262 27 G 4.3007 7.0963 109.9619 44.3474 0.0000 171.3931 28 L 4.3216 8.2564 123.2697 56.1585 42.6085 176.7427 29 H 4.7691 9.5288 123.6354 57.4398 29.9148 175.2005 30 E 5.0993 7.9951 116.9189 54.7475 34.3723 174.3050 31 I 4.8396 8.7213 123.4244 59.7589 39.6717 175.0251 32 I 4.6327 8.7905 128.5748 59.4506 40.1602 175.0853 33 F 4.6135 9.1602 125.6710 56.4587 38.6108 175.7780 34 L 4.0178 8.7306 125.4628 55.0053 42.3701 178.0895 35 G 3.6590 8.1616 106.9514 46.5882 0.0000 173.3351 *54 G 4.1297 7.8937 107.2417 45.0038 0.0000 174.2686 55 G 4.1439 7.5423 115.3428 45.7276 0.0000 172.4857 56 P 4.5364 0.0000 0.0000 63.5777 32.1547 176.6030 57 E 4.2027 7.9207 118.0220 55.4828 31.5728 175.6799 58 P 4.2638 0.0000 0.0000 65.8599 31.4210 178.7729 59 L 3.9842 7.8793 118.6046 58.4565 42.1049 178.8349 60 M 4.1724 8.0097 118.2334 58.3531 31.9207 178.5752 61 Q 4.1350 8.3450 118.1448 58.8486 28.7917 178.6108 62 A 4.0894 8.4193 122.1416 55.5555 18.3561 179.8611 63 T 3.8894 8.0720 114.0340 66.7509 68.5168 176.8528 64 A 4.0674 8.2850 122.7448 54.7668 18.3481 179.4601 65 W 3.7780 8.6444 127.1097 60.7229 30.9991 178.2993 66 L 4.1605 8.6095 119.2440 57.7198 40.9681 178.9849 67 N 4.4627 8.6194 117.1890 56.7502 38.8317 176.7843 68 A 3.5860 7.6610 122.1422 54.9284 17.9752 178.7530 69 Y 3.4439 7.1732 117.3025 60.8514 38.7888 178.2834 70 F 4.4045 7.7602 116.6718 59.8531 39.3206 176.7396 71 H 4.9796 8.3321 112.9692 55.4064 31.1068 174.2946 72 Q 4.5395 8.1775 123.0547 53.2008 29.3151 174.2654 73 P 3.8606 0.0000 0.0000 65.6334 31.2766 177.4241 74 E 3.7815 7.9802 115.9575 58.3408 29.6292 177.7310 75 A 4.5256 7.8811 120.4205 51.8918 19.2404 178.1454 76 I 3.3846 7.2483 119.9584 64.3652 37.7019 177.6173 77 E 4.2468 8.0488 117.3397 58.5184 29.6049 177.5825 78 E 4.1590 8.3576 118.1262 57.9695 29.9183 176.8846 79 F 4.3268 7.9626 118.4385 55.6339 39.7198 173.9118 80 P 4.3826 0.0000 0.0000 62.6584 31.7406 176.1101 81 V 3.7344 8.2717 122.9250 61.3418 32.1865 174.1007 82 P 4.5272 0.0000 0.0000 62.2141 32.1659 175.8836 83 A 4.1099 8.4029 121.6269 52.4210 19.6157 176.1373 84 L 5.0261 8.2865 119.9753 53.0954 44.0438 175.8688 85 H 5.0066 9.3252 121.0847 55.8027 31.8557 172.7672 86 H 3.9701 8.5821 116.6890 55.7818 30.3836 174.0653 87 P 4.1527 0.0000 0.0000 65.5737 31.3108 179.0191 88 V 3.4654 7.8633 116.2757 63.8482 31.2742 176.7102 89 F 4.4487 7.7864 117.6747 57.8266 39.2339 176.4523 90 Q 4.3721 7.7991 119.3086 57.0305 29.0801 175.8924 91 Q 4.5635 7.4083 115.1858 53.4595 32.7604 174.2865 92 E 3.9470 8.6168 122.0809 56.2853 30.5475 176.5900 93 S 4.5765 7.8335 118.5779 56.3578 66.7132 175.7908 94 F 4.1576 8.6661 124.1909 61.6593 39.1139 177.2415 95 T 3.6339 7.8897 114.9564 66.6292 68.2887 176.2505 96 R 3.4619 7.9007 120.6357 59.3238 29.8940 178.5387 97 Q 4.0068 7.7864 117.8239 58.7621 28.6828 178.8642 98 V 3.3703 7.5748 119.5721 65.9750 31.5264 178.1938 99 L 4.0699 7.8020 118.5557 57.6148 41.4429 179.5511 100 W 4.4590 8.6974 119.3553 59.8795 29.0324 178.8288 101 K 4.0445 8.6419 118.9267 59.1618 31.4587 179.1236 102 L 3.9489 8.0693 120.6835 58.0919 41.8174 178.7055 103 L 3.9130 7.8213 118.7506 58.1862 42.0987 178.5865 104 K 4.0504 8.1870 118.3550 58.9310 32.2119 177.9714 105 V 4.3216 7.7703 116.5237 62.8432 32.5688 175.5390 106 V 4.1702 7.4405 119.1636 61.3360 31.1926 175.4228 107 K 4.4930 9.1209 128.0383 54.4846 33.4184 176.3504 108 F 4.3420 8.8300 121.9516 60.5874 39.2076 175.4764 109 G 3.9460 9.1530 116.0667 45.4249 0.0000 172.6073 110 E 4.7784 7.8930 118.0776 54.4907 32.1075 175.1051 111 V 4.7113 7.9118 112.5834 59.7777 35.8993 174.6507 112 I 4.7658 8.4325 120.9824 59.3550 41.7471 174.5416 113 S 4.6565 8.5005 121.8371 58.0876 64.3110 174.4748 114 Y 4.1551 8.3158 119.5132 61.5816 37.7353 179.3907 115 S 4.1683 8.1050 113.2522 61.9023 62.5712 175.8351 116 H 4.4121 8.4175 118.9324 58.5825 28.3862 177.5965 117 L 3.9577 8.3529 122.4575 57.8277 41.8445 178.6122 118 A 4.2423 8.4533 120.9133 55.3774 18.3593 179.4719 119 A 3.9845 8.0142 118.7520 55.3430 18.2808 179.4312 120 L 3.9494 8.0558 117.5843 58.0828 42.1996 177.7167 121 A 4.2159 7.9160 118.7442 52.4519 18.7672 177.7241 122 G 4.2106 9.1817 104.6858 45.2694 0.0000 174.5690 123 N 4.9112 8.7380 118.7662 50.4386 39.2112 172.5491 124 P 4.2712 0.0000 0.0000 65.0823 31.8444 177.5681 125 A 4.1102 8.0748 118.2381 53.5494 19.3498 177.7446 126 A 4.5517 7.7982 120.4717 51.5752 17.1886 178.6916 127 T 3.8857 7.6807 123.3691 66.8638 69.1618 176.4117 128 A 3.9200 7.9840 121.8703 55.1658 18.3918 179.3508 129 A 4.0080 7.9834 118.7919 55.2385 18.3983 179.8835 130 V 3.6546 8.1034 116.8987 66.0913 31.6270 178.3844 131 K 3.8642 8.1310 118.2347 59.7903 31.6311 179.4578 132 T 3.8178 7.7442 114.5611 66.4325 68.7490 176.1763 133 A 4.1096 8.2830 122.9384 55.3573 18.3964 179.7157 134 L 4.0033 8.3542 118.0191 57.8848 41.4491 179.9099 135 S 4.2165 7.9549 113.5224 60.6942 62.8933 175.7771 136 G 3.9724 7.4293 107.0007 43.3114 0.0000 173.0283 137 N 4.3203 7.6478 120.9218 53.1219 39.1208 173.0179 138 P 4.5374 0.0000 0.0000 63.9807 32.7781 175.8630 139 V 4.6954 8.0766 112.3330 58.8933 31.7687 172.9999 140 P 4.8116 0.0000 0.0000 63.6926 32.2688 175.8090 141 I 3.5815 8.5332 123.3036 62.5796 35.5632 175.0309 142 L 3.0405 7.9989 120.4889 57.5147 41.8269 177.3252 143 I 4.2303 7.6321 121.3517 58.9348 37.5340 173.7463 144 P 4.5679 0.0000 0.0000 62.2375 32.3484 176.7569 *146 H 4.4903 8.4896 114.7219 55.3978 30.2873 174.0371 147 R 4.1240 7.7300 118.5050 55.9207 30.2124 175.4352 148 V 4.3825 7.3908 118.6702 61.0601 32.8410 175.0721 149 V 4.6064 7.8041 119.2423 58.0620 35.0603 176.7012 150 Q 4.1872 8.8864 122.1410 58.9240 29.3082 175.6085 151 G 3.9654 7.7415 104.2487 45.2613 0.0000 172.8895 152 D 4.3259 9.0428 118.0185 56.7163 41.0615 177.3475 153 L 4.6208 7.8461 115.2061 54.0682 42.5364 175.6228 154 D 4.6390 8.0474 119.3179 52.0676 42.4031 176.3952 155 V 3.5140 8.3369 127.7306 62.6590 31.7235 177.5118 156 G 3.9462 8.2778 108.8820 44.6738 0.0000 172.1280 157 G 4.1096 8.3369 108.0503 44.7600 0.0000 172.2364 158 Y 4.9141 8.0050 117.9823 56.1337 41.6118 175.1328 159 E 3.7293 8.5369 128.1075 58.7620 29.8416 177.4175 160 G 3.6154 6.4809 104.9898 44.7932 0.0000 173.8737 161 G 3.9981 8.2773 108.5051 45.4436 0.0000 174.7517 162 L 3.9824 8.9368 124.5818 58.2680 42.0153 179.1543 163 A 4.0399 8.0815 120.0632 55.1930 18.2227 179.6618 164 V 3.5930 7.7830 116.2253 65.8992 31.7600 177.8615 165 K 3.2727 7.7652 119.1344 59.5936 31.9587 178.5996 166 E 3.9756 8.4669 119.0316 58.9530 29.2212 179.2114 167 W 4.1256 8.5739 128.7623 60.4765 30.9323 178.0229 168 L 4.1504 8.4798 119.1432 57.9856 40.9934 179.6003 169 L 3.9210 8.0145 118.6339 57.5181 41.4678 179.4773 170 A 3.8010 7.8980 120.9504 55.2885 18.0730 178.9963 171 H 3.6453 7.5770 115.9882 58.7629 29.7972 175.7184 172 E 3.6725 7.3577 116.8965 55.6080 29.4978 176.8711 173 G 3.8137 7.8952 107.1257 45.8863 0.0000 173.4580 174 H 4.2603 8.1389 120.0771 55.0413 30.5464 176.0407 175 R 3.7993 8.3849 126.0993 59.6868 29.7399 177.2074 176 L 4.2758 8.1161 114.2982 55.3666 42.1044 177.2537 177 G 3.8373 7.8073 108.3948 45.2084 0.0000 173.6145 178 K 4.5436 7.9261 119.1150 54.6404 36.0520 176.8604 179 R 4.1759 8.6413 121.5092 56.5628 30.0843 176.3641 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 5 C 8.34 4.43 0.00 2.97 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 6 E 8.45 4.12 0.00 2.01 1.92 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 2.39 2.41 0.00 7 M 8.64 4.72 0.00 1.86 1.96 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 2.52 2.62 0.00 8 K 9.26 4.72 0.00 1.78 1.59 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.44 7.81 9 R 8.59 5.25 0.00 1.69 1.78 0.00 3.24 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 10 T 8.77 4.86 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 1.23 0.00 0.00 11 T 8.46 5.20 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 1.20 0.00 0.00 12 L 8.70 4.78 0.00 1.74 1.49 0.97 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.82 4.88 0.00 2.57 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 14 S 8.15 4.30 0.00 2.79 3.58 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 15 P 0.00 4.08 0.00 1.54 2.07 0.00 2.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 16 L 7.38 4.09 0.00 1.60 1.71 1.29 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.79 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.03 4.33 0.00 1.65 1.70 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.38 7.81 19 L 8.77 4.94 0.00 1.44 1.31 0.93 -0.01 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 20 E 9.01 4.84 0.00 2.01 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 2.23 2.26 0.00 21 L 9.01 5.37 0.00 1.77 1.56 0.90 0.51 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 22 S 8.79 5.24 0.00 3.84 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 23 G 8.41 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 0.00 0.00 0.00 0.00 24 C 8.63 5.52 0.00 3.07 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 25 E 8.94 4.09 0.00 2.10 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 0.00 2.27 2.32 0.00 26 Q 8.33 4.22 0.00 1.73 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.28 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 27 G 7.10 4.30 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 0.00 28 L 8.26 4.32 0.00 1.75 1.65 1.04 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29 H 9.53 4.77 0.00 3.19 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.00 5.10 0.00 2.10 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 2.32 2.42 0.00 31 I 8.72 4.84 1.95 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 0.64 0.78 0.00 0.00 32 I 8.79 4.63 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.16 0.97 0.00 0.00 33 F 9.16 4.61 0.00 2.90 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 34 L 8.73 4.02 0.00 1.63 1.73 0.90 0.78 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 35 G 8.16 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 *54 G 7.89 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 0.00 0.00 0.00 0.00 55 G 7.54 4.14 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 0.00 0.00 0.00 56 P 0.00 4.54 0.00 2.19 2.19 0.00 3.79 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 1.95 1.95 0.00 57 E 7.92 4.20 0.00 2.23 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 0.00 2.38 2.52 0.00 58 P 0.00 4.26 0.00 2.20 2.16 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 59 L 7.88 3.98 0.00 1.78 1.69 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 60 M 8.01 4.17 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 61 Q 8.34 4.13 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 62 A 8.42 4.09 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 63 T 8.07 3.89 4.31 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 1.27 0.00 0.00 64 A 8.28 4.07 1.64 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 0.00 0.00 65 W 8.64 3.78 0.00 3.65 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 66 L 8.61 4.16 0.00 1.92 1.98 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.62 4.46 0.00 2.97 2.96 0.00 0.00 7.07 8.95 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 68 A 7.66 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.17 3.44 0.00 1.90 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 70 F 7.76 4.40 0.00 2.92 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 71 H 8.33 4.98 0.00 3.20 3.32 0.00 5.61 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.18 4.54 0.00 1.97 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 73 P 0.00 3.86 0.00 1.76 2.15 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 74 E 7.98 3.78 0.00 2.03 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 2.21 2.26 0.00 75 A 7.88 4.53 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 76 I 7.25 3.38 1.52 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 1.21 0.99 0.66 0.00 0.00 77 E 8.05 4.25 0.00 2.02 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 2.30 2.29 0.00 78 E 8.36 4.16 0.00 1.91 1.88 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 2.48 2.38 0.00 79 F 7.96 4.33 0.00 3.11 3.21 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 80 P 0.00 4.38 0.00 2.12 2.03 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 81 V 8.27 3.73 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 0.55 0.00 0.00 0.84 0.00 0.00 82 P 0.00 4.53 0.00 2.17 2.18 0.00 3.52 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 1.83 1.90 0.00 83 A 8.40 4.11 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 84 L 8.29 5.03 0.00 0.96 0.93 0.30 0.81 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 85 H 9.33 5.01 0.00 3.23 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.58 3.97 0.00 3.53 3.33 0.00 5.75 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 87 P 0.00 4.15 0.00 2.07 2.02 0.00 3.01 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 1.95 1.99 0.00 88 V 7.86 3.47 1.81 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 -0.31 0.00 0.00 0.57 0.00 0.00 89 F 7.79 4.45 0.00 3.26 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 90 Q 7.80 4.37 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 91 Q 7.41 4.56 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 92 E 8.62 3.95 0.00 1.91 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 2.30 2.26 0.00 93 S 7.83 4.58 0.00 4.00 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 94 F 8.67 4.16 0.00 3.12 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 95 T 7.89 3.63 4.10 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 1.04 0.00 0.00 96 R 7.90 3.46 0.00 1.54 1.55 0.00 2.32 0.00 0.00 2.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 97 Q 7.79 4.01 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 98 V 7.57 3.37 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 0.96 0.00 0.00 0.16 0.00 0.00 99 L 7.80 4.07 0.00 1.85 1.96 0.66 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 100 W 8.70 4.46 0.00 3.40 3.12 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 0.00 101 K 8.64 4.04 0.00 1.85 1.89 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.75 7.81 102 L 8.07 3.95 0.00 1.90 1.94 0.94 0.34 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 0.00 103 L 7.82 3.91 0.00 1.77 1.99 0.80 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.19 4.05 0.00 1.80 2.06 0.00 1.81 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.43 7.81 105 V 7.77 4.32 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 0.90 0.00 0.00 1.00 0.00 0.00 106 V 7.44 4.17 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 0.81 0.00 0.00 0.93 0.00 0.00 107 K 9.12 4.49 0.00 1.88 1.83 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.66 1.57 7.81 108 F 8.83 4.34 0.00 3.09 2.93 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 0.00 109 G 9.15 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 0.00 110 E 7.89 4.78 0.00 2.08 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 2.28 2.29 0.00 111 V 7.91 4.71 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 0.34 0.00 0.00 0.85 0.00 0.00 112 I 8.43 4.77 1.85 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 1.29 1.69 0.85 0.00 0.00 113 S 8.50 4.66 0.00 3.86 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 0.00 114 Y 8.32 4.16 0.00 3.08 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 0.00 115 S 8.11 4.17 0.00 3.95 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 0.00 116 H 8.42 4.41 0.00 3.23 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.35 3.96 0.00 1.76 1.88 0.93 1.00 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 0.00 118 A 8.45 4.24 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 127 T 7.68 3.89 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 1.25 0.00 0.00 128 A 7.98 3.92 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 0.00 129 A 7.98 4.01 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 0.00 130 V 8.10 3.65 2.37 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 1.28 0.00 0.00 1.17 0.00 0.00 131 K 8.13 3.86 0.00 1.85 1.63 0.00 1.45 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.39 1.16 7.81 132 T 7.74 3.82 4.38 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 1.19 0.00 0.00 133 A 8.28 4.11 1.34 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 0.00 0.00 0.00 0.00 0.00 134 L 8.35 4.00 0.00 1.89 1.81 1.19 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.95 4.22 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 L 7.85 4.62 0.00 1.64 1.62 0.93 0.92 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 0.00 154 D 8.05 4.64 0.00 2.65 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 0.00 155 V 8.34 3.51 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 0.76 0.00 0.00 0.89 0.00 0.00 156 G 8.28 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 0.00 157 G 8.34 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 0.00 158 Y 8.00 4.91 0.00 2.95 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 0.00 159 E 8.54 3.73 0.00 1.73 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 2.14 2.20 0.00 160 G 6.48 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.28 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 0.00 0.00 0.00 162 L 8.94 3.98 0.00 1.83 1.73 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 163 A 8.08 4.04 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 0.00 164 V 7.78 3.59 2.46 0.00 0.00 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 1.00 0.00 0.00 165 K 7.77 3.27 0.00 0.97 1.75 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.23 1.08 7.81 166 E 8.47 3.98 0.00 2.07 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 2.32 2.43 0.00 167 W 8.57 4.13 0.00 3.53 3.39 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 0.00 168 L 8.48 4.15 0.00 1.83 1.61 0.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.01 3.92 0.00 1.76 1.64 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 170 A 7.90 3.80 1.17 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 0.00 0.00 171 H 7.58 3.65 0.00 1.73 3.06 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 E 7.36 3.67 0.00 1.77 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.90 0.00 173 G 7.90 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 0.00 174 H 8.14 4.26 0.00 3.08 3.10 0.00 5.62 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 0.00 175 R 8.38 3.80 0.00 1.70 1.85 0.00 3.27 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 176 L 8.12 4.28 0.00 1.67 1.68 0.93 0.94 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 0.00 177 G 7.81 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 0.00 0.00 0.00 178 K 7.93 4.54 0.00 1.72 1.69 0.00 2.03 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.45 7.81 179 R 8.64 4.18 0.00 1.83 1.92 0.00 3.31 0.00 0.00 2.74 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.