NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4467 8.3193 116.7998 57.5625 65.2822 174.1607 5 S 4.5988 7.5827 120.8387 56.5797 62.5671 172.2899 6 H 4.9851 8.4571 123.4214 56.4372 30.3639 177.2020 7 T 4.3315 7.8737 107.9326 63.4029 70.4430 175.6469 8 V 3.6585 8.0935 120.7458 65.3429 32.0326 177.0675 9 G 4.1056 8.1931 107.6513 47.7838 0.0000 174.7387 10 P 4.4337 0.0000 0.0000 62.6019 31.5243 178.2410 *12 L 4.1607 8.0828 120.2290 54.7906 43.7156 179.2188 13 A 3.1870 8.2475 120.4118 54.7476 18.1739 179.5028 14 A 3.3888 7.8688 119.2146 55.0797 18.5480 179.6104 15 N 4.1759 7.9443 114.1639 56.4015 38.6577 177.0374 16 A 4.0257 7.8920 122.3192 55.2841 18.4064 179.3818 17 F 4.2047 7.9013 120.4673 60.8650 39.2641 177.1282 18 L 3.9519 7.9677 118.5560 58.0900 41.3858 179.4585 19 Q 3.9073 7.9677 119.2704 58.7129 28.8559 177.8575 20 L 3.8947 8.1030 121.9226 58.0923 42.1439 178.8682 21 L 3.8284 7.6441 118.8420 57.6945 41.4372 179.5501 22 E 3.9120 7.8952 118.5717 59.4843 29.3577 178.8472 23 Q 3.9526 8.1259 118.4838 58.7983 29.0771 177.7841 24 K 4.2706 8.0976 116.6244 54.9981 32.8112 175.7020 25 N 4.1755 7.9618 116.9635 54.8148 38.1283 174.7712 26 L 4.6083 8.1825 115.0833 54.2418 42.8190 177.5656 27 F 4.0200 8.0892 121.6810 61.5447 39.2484 176.5408 28 D 4.4581 8.2138 116.5288 57.2097 41.0951 178.3793 29 K 4.2410 7.7492 117.7168 57.6223 31.9607 177.1818 30 T 4.4436 6.9933 116.4965 63.8668 68.4466 173.9712 31 Q 4.6853 9.0381 124.6256 55.6586 30.9784 175.7280 32 R 4.8251 7.8536 118.7862 55.1674 33.6068 173.8374 33 V 5.3307 8.6948 117.8506 59.6177 35.5818 174.7802 34 K 4.9083 9.1924 123.2803 54.7851 36.0285 175.0564 35 V 4.3231 8.6563 126.1459 60.8070 34.6196 173.7996 36 E 4.7084 8.4001 126.6902 54.3768 32.0106 175.2750 37 L 4.6960 8.3626 124.5533 53.2501 44.3661 175.2384 38 Y 4.7612 8.5995 119.4484 55.3175 42.3130 177.9440 39 G 3.9463 9.0532 109.7806 45.5181 0.0000 177.0600 40 S 4.2484 9.2781 118.3214 61.4021 62.2541 176.1555 41 L 4.1152 7.9031 120.4379 57.6878 41.7741 178.8623 42 A 4.3610 8.0843 120.8713 55.1075 18.1514 179.6040 43 L 4.1333 8.0085 116.3348 57.3900 41.6944 178.8899 44 T 4.0347 7.3812 111.8966 63.2285 67.2075 175.0706 45 G 3.7816 7.7261 104.0526 44.6803 0.0000 172.7324 46 K 3.5966 7.5438 118.4320 57.7718 32.3065 177.1309 47 G 3.9276 9.5497 111.2893 47.3293 0.0000 173.5771 48 H 4.9157 7.7435 113.1973 55.7791 29.7623 174.7461 49 G 4.3841 7.8988 113.6190 47.1105 0.0000 177.4558 50 T 4.2044 8.5693 118.6785 65.4579 68.4914 176.3806 51 D 4.0827 8.2410 120.9141 56.4095 39.4118 178.6722 52 K 3.9103 8.0295 120.3137 59.1680 32.4505 178.6674 53 A 3.9936 8.4524 122.3304 55.0761 18.2720 179.7608 54 I 3.8324 8.0095 118.2748 64.5589 37.0224 178.7546 55 L 3.9883 7.8815 118.6880 57.8167 41.8492 179.0277 56 N 4.5728 8.2924 116.6110 56.3264 38.5036 177.6168 57 G 3.9641 8.4335 107.3653 47.5651 0.0000 175.3365 58 L 4.3669 8.4709 120.3181 56.3925 41.3580 178.0078 59 E 5.0223 7.5291 118.7883 54.9881 29.7053 175.7144 60 N 4.3548 7.8367 114.4196 54.0470 36.6973 174.5351 61 K 4.2037 7.8346 117.4519 55.9215 33.0249 175.9212 62 A 5.1694 7.9925 124.1427 48.6911 21.7444 174.6750 63 P 4.3869 0.0000 0.0000 65.9108 31.7531 179.5723 64 E 4.2147 7.8060 117.6818 55.9852 28.4552 177.2126 *70 S 4.1315 7.7379 107.9567 58.2933 64.8721 175.7290 *72 I 3.9792 7.9076 121.4770 61.6051 39.8147 174.0351 73 P 4.3066 0.0000 0.0000 66.0285 30.8600 179.5401 74 R 4.2324 7.7255 118.9752 56.0924 29.3681 177.9379 *76 H 4.7081 8.3641 114.9681 55.5500 30.8938 175.8355 77 E 4.0170 8.6171 119.2170 59.3612 29.1967 179.3889 78 I 3.9433 7.8577 121.3425 63.8209 36.9166 178.5747 79 L 4.1189 7.7729 118.1942 57.6715 41.7150 178.3317 80 D 4.5076 8.2184 117.4728 57.6184 41.2882 178.3492 81 S 4.2837 8.2911 112.9415 58.8233 63.5754 173.8056 82 N 4.6790 8.3488 118.3066 53.7485 36.5675 173.0632 83 L 5.3061 7.8345 117.0150 52.8796 45.3748 175.3958 84 L 4.4008 9.0442 126.3976 53.3763 44.3941 175.2348 85 N 4.7190 9.2537 126.6857 51.7613 38.1736 171.6310 86 L 4.2053 8.8954 123.6343 55.8611 42.3838 177.3587 87 A 3.9254 9.2489 128.7549 52.1528 18.6777 176.6543 88 G 4.1996 9.6292 104.5831 44.5838 0.0000 178.4088 89 K 3.6962 9.7984 122.1022 57.0479 31.7565 177.2175 90 K 4.6316 6.2870 131.5880 55.1865 35.0194 173.9296 91 E 4.8955 8.9860 128.0872 56.2478 30.1460 176.3318 92 I 4.7556 8.8354 117.9239 58.0414 41.2981 173.2128 93 P 4.9490 0.0000 0.0000 63.1845 32.0809 175.6086 94 F 4.9623 9.0974 125.0897 56.8813 43.1773 173.1496 95 H 4.5929 8.6939 122.8302 53.5443 31.3855 173.6748 96 E 3.7211 8.8179 126.0206 59.1628 29.6422 178.6658 97 A 4.0414 8.0719 120.1812 54.6806 18.4317 177.9390 98 T 4.3696 7.6745 103.1355 61.8369 70.6422 174.5563 99 D 4.7347 7.9812 120.4281 54.1266 42.9086 175.8280 100 F 4.7847 8.3021 120.2893 56.5983 41.4997 172.9289 101 L 4.7879 8.7387 126.6114 52.7893 44.3665 175.8941 102 F 4.5822 9.0839 122.6411 56.0190 39.6743 176.1215 103 L 4.3891 8.2229 128.5705 52.9638 39.2049 177.8957 104 Q 4.0766 8.2666 119.8263 58.2246 29.3259 177.8725 105 K 4.4604 7.9448 114.7678 56.0768 32.7549 175.7014 106 E 4.9389 8.2564 118.8437 54.3634 33.0426 174.6913 107 L 5.1476 8.2960 119.7651 52.9337 44.6682 176.8244 108 L 4.1344 8.1673 122.4561 53.3423 42.5881 176.3634 109 P 4.0195 0.0000 0.0000 65.6004 31.6020 178.0617 110 K 3.5777 7.5774 117.4912 58.6945 31.9318 176.5131 111 H 4.3476 6.8074 114.1022 54.9731 33.2092 173.5686 112 S 4.1967 8.0079 119.7111 61.1492 63.4147 173.9545 113 N 5.0221 8.4536 118.8125 52.2563 36.8133 173.8277 114 G 4.0650 7.8015 109.2876 44.1322 0.0000 170.4361 *116 R 4.6316 8.2061 118.4355 56.2118 31.4956 174.1400 117 F 4.7922 9.1420 125.1277 55.8199 41.5342 175.0114 118 S 5.1907 8.7669 117.3229 56.7276 67.5314 172.7986 119 A 5.3042 8.7083 123.9523 50.2713 22.1228 175.1431 120 F 5.3345 9.4117 120.5404 55.6045 43.0154 175.9379 121 D 5.2563 8.1569 120.8490 52.1042 41.0192 176.2825 122 G 3.7272 8.5777 106.6470 48.1951 0.0000 173.9125 123 N 4.6326 8.5366 117.3690 53.1449 38.4869 176.1231 124 A 3.6552 8.1639 118.4437 52.6210 16.4104 177.9240 125 N 4.7873 7.8127 116.3340 52.2466 39.6039 174.5593 126 L 3.8421 8.6424 125.1202 55.4256 42.4963 176.3678 127 L 4.2720 8.6539 127.5032 57.4340 42.4964 177.3331 128 I 4.4536 7.1004 115.6224 59.9619 41.1524 172.8952 129 E 5.3456 8.7442 124.9393 54.8841 32.9993 174.6629 130 Q 4.4472 9.3725 121.9063 54.9130 33.2151 173.2686 131 V 4.3589 8.1798 126.0410 61.9806 33.6121 174.0613 132 Y 5.3581 8.3476 123.4203 56.4819 42.6490 173.6713 133 Y 5.1910 9.3573 118.8301 56.4147 42.0107 174.6570 134 S 5.2370 8.9588 118.0092 56.9003 63.9325 173.9785 135 I 4.5961 9.3123 125.7651 59.9810 39.2301 175.1704 136 G 4.0545 8.6584 106.4502 46.2457 0.0000 173.6841 137 G 3.6192 8.4695 112.0139 47.3030 0.0000 173.4124 138 G 4.0605 9.1483 113.8081 45.8182 0.0000 172.5557 139 F 5.0543 8.2179 117.9737 55.4565 42.0130 174.5307 140 I 5.3056 8.4081 113.4954 59.7602 40.7984 174.3481 141 T 5.0273 8.9884 116.5413 60.6237 71.0311 173.5743 142 T 4.4583 8.7711 117.0724 61.1637 69.8759 174.3154 143 E 4.3519 8.8020 123.6849 60.2214 29.2543 179.4929 144 E 4.0503 8.1486 116.3733 58.9784 29.7357 178.0014 145 D 4.6671 8.0652 116.6229 54.7029 41.6406 177.7912 146 F 4.2575 7.8473 122.7747 61.4653 39.0767 176.7659 147 D 4.6799 8.0747 113.5696 54.5600 40.3230 176.5221 148 K 4.1688 7.7257 124.9070 56.5905 32.4903 176.0307 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 S 8.32 4.45 0.00 4.00 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 5 S 7.58 4.60 0.00 4.14 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 6 H 8.46 4.99 0.00 3.26 3.42 0.00 5.57 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.87 4.33 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 1.26 0.00 0.00 8 V 8.09 3.66 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 0.69 0.00 0.00 0.90 0.00 0.00 9 G 8.19 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 10 P 0.00 4.43 0.00 2.26 2.18 0.00 3.72 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 *12 L 8.08 4.16 0.00 1.84 1.68 0.85 0.79 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 13 A 8.25 3.19 1.14 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 14 A 7.87 3.39 1.49 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 0.00 0.00 0.00 15 N 7.94 4.18 0.00 2.88 2.81 0.00 0.00 6.98 7.54 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 16 A 7.89 4.03 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 17 F 7.90 4.20 0.00 2.56 2.86 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 18 L 7.97 3.95 0.00 1.92 1.70 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.97 3.91 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 20 L 8.10 3.89 0.00 1.90 1.65 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.64 3.83 0.00 1.92 1.76 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.90 3.91 0.00 1.96 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 2.40 2.30 0.00 23 Q 8.13 3.95 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 24 K 8.10 4.27 0.00 1.77 1.80 0.00 1.91 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.54 7.81 25 N 7.96 4.18 0.00 2.80 2.84 0.00 0.00 6.99 7.31 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 26 L 8.18 4.61 0.00 1.61 1.62 0.89 0.97 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 27 F 8.09 4.02 0.00 3.13 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 28 D 8.21 4.46 0.00 2.74 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 29 K 7.75 4.24 0.00 1.92 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.48 7.81 30 T 6.99 4.44 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 1.26 0.00 0.00 31 Q 9.04 4.69 0.00 1.84 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 32 R 7.85 4.83 0.00 1.91 1.88 0.00 2.98 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 33 V 8.69 5.33 2.33 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 1.00 0.00 0.00 1.20 0.00 0.00 34 K 9.19 4.91 0.00 1.94 1.84 0.00 1.54 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.30 7.81 35 V 8.66 4.32 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 0.00 0.00 -0.29 0.00 0.00 0.55 0.00 0.00 36 E 8.40 4.71 0.00 1.76 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 2.04 2.06 0.00 37 L 8.36 4.70 0.00 1.15 1.37 0.63 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.60 4.76 0.00 2.98 2.86 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 39 G 9.05 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 40 S 9.28 4.25 0.00 4.16 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 41 L 7.90 4.12 0.00 1.76 1.74 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.08 4.36 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 43 L 8.01 4.13 0.00 1.72 1.80 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.38 4.03 4.40 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 1.55 0.00 0.00 45 G 7.73 3.78 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 0.00 0.00 0.00 46 K 7.54 3.60 0.00 1.46 1.58 0.00 1.84 0.00 0.00 1.51 0.00 0.00 2.74 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.35 0.81 7.81 47 G 9.55 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 48 H 7.74 4.92 0.00 3.36 3.30 0.00 5.65 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 49 G 7.90 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 0.00 0.00 0.00 0.00 50 T 8.57 4.20 4.44 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 1.31 0.00 0.00 51 D 8.24 4.08 0.00 2.34 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 52 K 8.03 3.91 0.00 1.98 2.09 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.52 7.81 53 A 8.45 3.99 1.47 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 54 I 8.01 3.83 2.28 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 1.88 0.91 1.15 0.00 0.00 55 L 7.88 3.99 0.00 1.54 1.57 0.69 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.29 4.57 0.00 2.93 2.86 0.00 0.00 6.92 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 57 G 8.43 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 58 L 8.47 4.37 0.00 1.91 1.85 1.15 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.53 5.02 0.00 2.12 1.96 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 2.37 2.38 0.00 60 N 7.84 4.35 0.00 2.91 2.94 0.00 0.00 6.91 7.72 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 61 K 7.83 4.20 0.00 1.78 1.71 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.64 1.37 7.81 62 A 7.99 5.17 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 63 P 0.00 4.39 0.00 2.01 2.10 0.00 3.65 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 1.98 2.09 0.00 64 E 7.81 4.21 0.00 1.92 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 2.29 2.33 0.00 *70 S 7.74 4.13 0.00 4.01 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 *72 I 7.91 3.98 1.83 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 1.36 0.61 0.88 0.00 0.00 73 P 0.00 4.31 0.00 2.23 2.28 0.00 3.70 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 2.14 1.95 0.00 74 R 7.73 4.23 0.00 1.99 1.95 0.00 3.26 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 *76 H 8.36 4.71 0.00 3.47 3.36 0.00 5.69 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 77 E 8.62 4.02 0.00 2.15 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 2.34 2.50 0.00 78 I 7.86 3.94 1.77 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 1.59 1.12 0.67 0.00 0.00 79 L 7.77 4.12 0.00 1.76 1.75 0.91 1.19 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 80 D 8.22 4.51 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 81 S 8.29 4.28 0.00 4.07 3.99 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 82 N 8.35 4.68 0.00 3.02 2.83 0.00 0.00 6.84 6.68 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 83 L 7.83 5.31 0.00 1.56 1.56 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 84 L 9.04 4.40 0.00 1.66 1.58 0.73 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 85 N 9.25 4.72 0.00 2.91 2.80 0.00 0.00 6.43 6.47 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 86 L 8.90 4.21 0.00 1.95 1.75 0.77 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 87 A 9.25 3.93 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 88 G 9.63 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 89 K 9.80 3.70 0.00 2.14 1.54 0.00 1.32 0.00 0.00 0.93 0.00 0.00 2.70 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 1.34 7.81 90 K 6.29 4.63 0.00 1.90 1.88 0.00 1.42 0.00 0.00 1.18 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.37 7.81 91 E 8.99 4.90 0.00 1.93 1.91 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 2.35 2.34 0.00 92 I 8.84 4.76 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.89 0.00 0.00 93 P 0.00 4.95 0.00 2.03 2.13 0.00 3.85 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 2.07 2.13 0.00 94 F 9.10 4.96 0.00 3.20 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 95 H 8.69 4.59 0.00 3.03 3.04 0.00 5.89 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.82 3.72 0.00 2.12 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 2.52 2.54 0.00 97 A 8.07 4.04 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 98 T 7.67 4.37 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 1.12 0.00 0.00 99 D 7.98 4.73 0.00 1.98 2.83 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 0.00 100 F 8.30 4.78 0.00 3.34 3.02 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 0.00 0.00 0.00 101 L 8.74 4.79 0.00 1.37 1.45 0.85 0.94 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 0.00 102 F 9.08 4.58 0.00 2.91 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 0.00 103 L 8.22 4.39 0.00 1.02 1.38 0.52 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.27 4.08 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 7.01 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 105 K 7.94 4.46 0.00 1.75 1.85 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.45 7.81 106 E 8.26 4.94 0.00 2.21 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 2.28 2.28 0.00 107 L 8.30 5.15 0.00 1.61 1.55 0.94 1.04 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 0.00 108 L 8.17 4.13 0.00 1.63 1.48 0.36 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.02 0.00 2.09 2.12 0.00 3.73 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 1.93 1.93 0.00 110 K 7.58 3.58 0.00 0.79 0.74 0.00 1.34 0.00 0.00 1.35 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.00 0.62 7.81 111 H 6.81 4.35 0.00 2.67 2.95 0.00 5.76 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.01 4.20 0.00 3.92 3.82 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 0.00 113 N 8.45 5.02 0.00 3.06 2.90 0.00 0.00 6.87 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.80 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 *116 R 8.21 4.63 0.00 1.89 2.00 0.00 3.35 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 117 F 9.14 4.79 0.00 1.80 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 0.00 118 S 8.77 5.19 0.00 3.73 3.25 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 0.00 119 A 8.71 5.30 1.33 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 0.00 0.00 0.00 120 F 9.41 5.33 0.00 2.92 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 0.00 121 D 8.16 5.26 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.58 3.73 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 0.00 0.00 0.00 123 N 8.54 4.63 0.00 3.11 2.84 0.00 0.00 6.76 7.24 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 0.00 124 A 8.16 3.66 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 125 N 7.81 4.79 0.00 3.34 2.80 0.00 0.00 6.64 6.62 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 0.00 126 L 8.64 3.84 0.00 1.60 1.58 0.40 0.97 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 0.00 127 L 8.65 4.27 0.00 1.59 1.67 0.91 0.70 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 0.00 128 I 7.10 4.45 1.86 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 1.48 1.11 0.92 0.00 0.00 129 E 8.74 5.35 0.00 1.90 1.78 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 2.13 2.23 0.00 130 Q 9.37 4.45 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 1.87 1.30 0.00 131 V 8.18 4.36 1.91 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 0.46 0.00 0.00 0.75 0.00 0.00 132 Y 8.35 5.36 0.00 2.98 2.83 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 0.00 133 Y 9.36 5.19 0.00 3.14 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 0.00 134 S 8.96 5.24 0.00 4.02 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 0.00 135 I 9.31 4.60 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.91 1.02 0.00 0.00 136 G 8.66 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 0.00 137 G 8.47 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 0.00 138 G 9.15 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 0.00 0.00 0.00 139 F 8.22 5.05 0.00 3.02 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 0.00 140 I 8.41 5.31 2.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.77 0.97 0.00 0.00 141 T 8.99 5.03 4.34 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 1.51 0.00 0.00 142 T 8.77 4.46 4.37 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 1.20 0.00 0.00 143 E 8.80 4.35 0.00 2.10 2.03 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 2.35 2.50 0.00 144 E 8.15 4.05 0.00 1.98 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 2.32 2.46 0.00 145 D 8.07 4.67 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 7.85 4.26 0.00 3.31 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 0.00 147 D 8.07 4.68 0.00 2.78 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 0.00 148 K 7.73 4.17 0.00 1.88 1.65 0.00 1.75 0.00 0.00 1.98 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.