NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4721 8.3301 117.1069 57.6659 64.2462 173.1571 16 A 4.2528 8.7460 127.8694 52.2660 19.0957 175.5128 17 T 5.0728 7.5977 102.6866 60.0534 72.7976 171.7935 18 F 5.2019 8.1944 117.0385 54.5054 41.6076 172.2701 19 P 5.1416 0.0000 0.0000 63.2620 32.7145 174.8961 20 M 4.8977 9.1215 120.0742 54.2520 35.8223 173.9837 21 Q 4.7284 8.6642 125.2448 55.4969 30.4430 177.5012 22 C 4.3398 9.2176 123.0886 60.3730 40.0715 176.8545 23 S 3.9730 8.0581 114.1104 61.3030 62.4806 175.9875 24 A 4.1810 7.7814 123.3637 53.2909 18.6325 177.9201 25 L 4.1582 6.9557 116.6915 55.4490 42.4935 176.9308 26 R 4.6405 8.0594 118.3400 53.9148 34.1863 174.7987 27 K 3.8992 8.5194 122.2035 58.2238 32.4353 176.9090 28 N 4.1134 9.0636 121.5518 53.5285 37.6722 175.1349 29 G 3.8060 7.5200 108.3185 44.6179 0.0000 172.3751 30 F 5.5422 8.2890 116.4040 56.0482 43.1132 174.6427 31 V 4.6134 9.0631 120.2634 60.6909 35.3061 173.0475 32 V 4.6558 8.4706 122.3264 61.3392 32.8471 175.1840 33 L 4.4881 8.8438 127.5956 53.8085 44.5467 176.9428 34 K 3.6704 9.6349 124.8564 57.4288 29.4989 176.2528 35 G 3.9063 8.0325 104.4256 45.5689 0.0000 173.6225 36 R 4.5342 7.4808 119.9015 53.6841 32.0182 173.5721 37 P 4.8980 0.0000 0.0000 62.9535 32.6632 174.8907 38 C 5.4712 9.6118 121.6560 57.7044 32.7558 172.6811 39 K 4.6612 8.5435 123.0476 55.0389 33.8264 175.5527 40 I 4.4208 8.4391 129.2291 61.4989 37.6778 176.7395 41 V 4.4752 8.5635 118.8636 61.1854 33.9045 175.9039 42 E 4.6369 7.8094 120.1613 55.2947 34.0249 173.9521 43 M 5.1855 8.5380 124.6982 54.3590 35.0521 173.8407 44 S 4.8746 9.1393 120.5305 56.8116 67.1039 173.0280 45 T 5.2103 8.6687 119.7866 62.7002 71.1398 174.0904 46 S 4.8599 9.2965 126.8789 56.9076 67.0839 171.1945 47 K 4.4970 8.7841 124.6344 56.0862 31.0683 178.8263 48 T 4.0353 8.1432 117.7347 62.8679 68.4528 171.9006 *53 H 4.7688 7.7692 117.6633 55.8449 30.8724 171.9286 54 A 4.9018 8.1225 118.7476 51.1303 22.7099 175.2807 55 K 4.9881 9.5126 118.6620 54.5563 36.3994 175.6965 56 V 4.7351 9.0831 124.6420 61.6274 33.4799 173.8277 57 H 5.2192 9.3109 129.5571 55.1985 31.4151 173.7375 58 L 5.3018 9.2951 125.6490 52.8623 45.2496 175.4635 59 V 4.8877 8.7789 122.8117 61.0726 34.3485 174.5446 60 G 4.5278 9.6083 114.1796 44.4920 0.0000 171.6082 61 I 4.7954 8.5239 123.8263 59.2821 39.5732 174.2742 62 D 4.9108 9.3173 127.7388 54.2780 41.4594 177.6876 63 I 3.9625 8.6516 119.4150 62.1051 38.0280 176.2984 64 F 4.8069 8.5062 119.3054 58.7677 40.8273 176.2995 65 T 4.3406 8.4177 107.5422 60.9110 69.9442 175.5446 66 G 3.9142 8.4276 109.8228 45.0411 0.0000 173.4578 67 K 4.0465 7.6566 121.9531 56.1676 33.4092 175.9404 68 K 4.7902 8.3995 126.5927 56.2621 32.9332 175.8140 69 Y 4.8814 9.4898 123.1885 56.1394 41.3368 174.3934 70 E 5.2399 8.4640 121.7301 54.8952 33.4319 174.2182 71 D 4.5345 8.5270 120.0760 53.6779 45.6169 174.5217 72 I 4.9926 8.5943 125.5277 59.7855 39.3159 175.3351 73 C 5.0308 9.3003 127.7311 53.6654 47.0745 171.4217 74 P 4.7721 0.0000 0.0000 62.8028 31.5949 177.4679 75 S 4.0757 9.1349 119.7302 61.3119 62.9003 176.0072 76 T 4.6437 7.6416 107.3160 61.3465 69.5177 174.4159 77 H 4.5328 8.2907 120.7616 55.9960 29.8309 174.4592 78 N 5.3463 8.5790 117.5497 52.8811 41.0516 173.8357 79 M 4.8363 9.1191 119.2399 53.8612 37.3272 174.0581 80 D 5.0226 8.5391 119.9628 53.7892 42.7925 175.6532 81 V 4.5989 8.4846 123.1298 60.1447 34.2468 172.9363 82 P 4.5379 0.0000 0.0000 62.6273 32.4532 175.9020 83 N 4.7719 8.8669 122.6525 53.0167 38.5403 173.5158 84 I 4.3914 8.0620 126.5033 59.9308 38.5420 175.2244 85 K 4.6001 8.7599 128.3397 55.1784 34.6181 175.7384 86 R 5.0637 8.3736 124.3494 55.2735 33.4274 174.0048 87 N 5.1532 9.2683 121.3108 51.3957 43.1845 173.2367 88 D 5.5477 8.4613 120.5934 52.8633 43.5194 175.5541 89 F 5.0325 9.4649 122.0797 55.6753 42.9506 174.0803 90 Q 4.9007 8.9068 122.2336 54.9695 30.6510 174.2055 91 L 4.8490 8.6627 129.5326 54.5069 42.4478 176.0563 92 I 4.6272 8.6115 118.9678 59.8657 38.8108 175.5332 93 G 4.5779 6.9552 110.3335 47.2493 0.0000 172.1756 94 I 5.0604 7.9185 121.0810 59.2820 40.7414 175.1505 95 Q 4.4268 9.4318 126.9986 56.2506 32.2426 174.0313 96 D 4.5372 9.9181 125.0772 55.5551 38.6566 174.7387 97 G 3.9474 8.4184 104.8675 45.6955 0.0000 173.0508 98 Y 4.5633 8.1052 117.8283 55.7699 40.6510 174.6214 99 L 4.7172 8.5047 123.4825 54.1326 43.7994 176.0163 100 S 5.0510 9.0329 120.0267 57.2152 64.6115 173.0581 101 L 5.2261 8.9758 125.9104 52.7048 44.6222 175.3729 102 L 5.2017 9.3083 126.1310 53.6582 44.6803 175.8486 103 Q 4.7352 8.9278 125.1648 54.2994 30.9874 176.5714 104 D 4.3727 8.5677 119.9267 57.5099 40.8785 178.4477 105 S 4.1673 7.8860 112.0872 59.5379 63.2266 175.1113 106 G 3.9686 7.8094 109.4876 45.0513 0.0000 173.5806 107 E 4.0707 8.0368 121.5849 55.9774 30.2380 175.4099 108 V 4.8794 8.2997 125.1454 60.8560 33.8738 174.7383 109 R 4.7279 9.0290 123.2702 54.6060 31.5635 175.7857 110 E 5.6087 8.9399 118.6935 55.3759 30.5315 176.3288 111 D 4.6624 8.1199 118.6386 53.6910 40.6537 175.9043 112 L 4.5021 7.6436 121.3951 53.4019 43.0616 176.1906 113 R 3.1195 8.4079 124.7028 55.3305 31.0061 175.7377 114 L 3.8673 7.9483 127.8701 54.7624 42.5473 175.1972 115 P 4.2657 0.0000 0.0000 62.9147 31.7302 175.7569 116 E 4.4133 8.6056 119.9443 56.5721 31.3438 177.8181 117 G 4.0042 8.4795 108.2047 46.7083 0.0000 175.9688 118 D 4.3564 8.7159 118.7204 57.2786 40.7416 178.0521 119 L 4.0553 7.9788 120.4804 58.0883 42.1574 179.1558 120 G 4.1067 7.6259 105.7829 47.3986 0.0000 175.8542 121 K 4.0201 8.0910 121.2795 58.9826 32.0638 179.0465 122 E 3.9268 8.7107 119.9808 59.4225 29.5822 179.0019 123 I 3.7740 8.0136 119.9662 64.3385 37.1522 178.3662 124 E 4.0380 8.2967 119.3974 59.5251 29.4517 179.3430 125 Q 4.0246 8.3241 118.2489 59.1448 28.6718 179.2360 126 K 4.1234 8.2514 119.0905 59.0272 32.0996 178.9980 127 Y 4.1524 7.9530 120.2953 60.7876 38.6192 177.2818 128 D 4.2489 8.5117 118.7468 57.1695 40.8726 178.0118 129 C 4.2440 7.5053 118.6103 61.2323 31.6247 174.3318 130 G 3.9354 7.5158 106.2835 44.6595 0.0000 172.9470 131 E 4.2155 7.5957 123.3142 56.2292 30.5729 176.8813 132 E 4.3245 8.7951 124.3253 56.6424 30.4538 175.1068 133 I 4.6427 8.5068 126.0513 58.4707 40.7560 174.6370 134 L 5.3124 8.3246 125.1278 53.0876 44.5353 175.3354 135 I 4.9819 8.9316 124.0678 59.8215 40.1378 174.8158 136 T 5.0729 8.7664 124.2213 62.4912 69.7385 173.8605 137 V 4.7600 9.1392 127.4076 61.1664 34.1727 174.1286 138 L 5.2943 9.1469 129.1181 53.4207 45.1732 174.9784 139 S 5.5594 9.0114 121.8528 56.8942 66.1075 173.1398 140 A 4.7853 9.6909 125.0673 51.5956 22.5315 175.8929 141 M 2.7811 8.8381 121.9856 57.3117 30.6360 177.8072 142 T 4.3589 8.5424 117.5431 62.3808 69.4242 173.9813 143 E 4.4808 7.8650 123.1706 54.6895 31.8036 174.1423 144 E 5.8014 8.2169 123.5479 55.3013 32.9881 173.5359 145 A 4.7281 8.6652 125.9452 50.9312 23.4263 174.2660 146 A 4.8945 8.4279 121.0542 51.4439 19.4170 177.8307 147 V 4.4908 9.1514 114.1458 60.8463 34.0507 175.0890 148 A 4.5766 7.5921 120.7233 51.1908 22.5376 174.6194 149 I 5.0654 8.2802 118.4143 59.2858 41.2659 175.3659 150 K 4.3055 8.6808 124.7773 56.6920 33.2520 176.2639 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 15 S 8.33 4.47 0.00 3.65 3.74 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 16 A 8.75 4.25 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 0.00 0.00 0.00 0.00 0.00 17 T 7.60 5.07 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 18 F 8.19 5.20 0.00 3.01 3.16 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 19 P 0.00 5.14 0.00 2.15 2.12 0.00 3.96 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 2.05 2.01 0.00 20 M 9.12 4.90 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 21 Q 8.66 4.73 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.65 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 22 C 9.22 4.34 0.00 3.37 3.15 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 23 S 8.06 3.97 0.00 4.04 4.02 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 24 A 7.78 4.18 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 25 L 6.96 4.16 0.00 1.80 1.63 0.93 0.88 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 26 R 8.06 4.64 0.00 1.78 1.72 0.00 3.15 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 27 K 8.52 3.90 0.00 1.66 1.68 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.42 7.81 28 N 9.06 4.11 0.00 2.77 2.83 0.00 0.00 6.96 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 29 G 7.52 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 30 F 8.29 5.54 0.00 2.87 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.06 4.61 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 0.70 0.00 0.00 0.99 0.00 0.00 32 V 8.47 4.66 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 0.75 0.00 0.00 0.87 0.00 0.00 33 L 8.84 4.49 0.00 1.39 1.32 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.63 3.67 0.00 1.31 1.72 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.32 7.81 35 G 8.03 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 0.00 0.00 0.00 36 R 7.48 4.53 0.00 1.67 2.00 0.00 3.31 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 37 P 0.00 4.90 0.00 2.11 2.20 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 38 C 9.61 5.47 0.00 2.95 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.54 4.66 0.00 1.93 1.67 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.07 7.81 40 I 8.44 4.42 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.46 0.89 0.00 0.00 41 V 8.56 4.48 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 0.70 0.00 0.00 0.90 0.00 0.00 42 E 7.81 4.64 0.00 1.82 1.72 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 2.27 2.27 0.00 43 M 8.54 5.19 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 44 S 9.14 4.87 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.67 5.21 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 1.28 0.00 0.00 46 S 9.30 4.86 0.00 3.33 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 47 K 8.78 4.50 0.00 1.77 1.68 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.00 7.81 48 T 8.14 4.04 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 *53 H 7.77 4.77 0.00 3.11 3.30 0.00 5.61 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 54 A 8.12 4.90 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 55 K 9.51 4.99 0.00 1.64 1.67 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.33 7.81 56 V 9.08 4.74 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 0.94 0.00 0.00 0.95 0.00 0.00 57 H 9.31 5.22 0.00 3.20 3.14 0.00 5.59 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 9.30 5.30 0.00 1.68 1.50 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.78 4.89 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 0.95 0.00 0.00 0.85 0.00 0.00 60 G 9.61 4.53 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 0.00 0.00 0.00 61 I 8.52 4.80 1.88 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 1.12 1.07 0.95 0.00 0.00 62 D 9.32 4.91 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.65 3.96 1.52 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 -0.20 1.06 0.00 0.00 64 F 8.51 4.81 0.00 3.23 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 65 T 8.42 4.34 4.29 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 1.31 0.00 0.00 66 G 8.43 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 0.00 0.00 0.00 67 K 7.66 4.05 0.00 1.75 1.62 0.00 1.49 0.00 0.00 1.43 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.79 1.17 7.81 68 K 8.40 4.79 0.00 1.59 1.68 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.43 7.81 69 Y 9.49 4.88 0.00 2.92 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 70 E 8.46 5.24 0.00 1.98 1.84 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 2.34 2.47 0.00 71 D 8.53 4.53 0.00 2.79 2.45 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 72 I 8.59 4.99 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.90 0.00 0.00 73 C 9.30 5.03 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.77 0.00 1.92 1.87 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 75 S 9.13 4.08 0.00 4.03 4.16 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 76 T 7.64 4.64 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 1.24 0.00 0.00 77 H 8.29 4.53 0.00 3.38 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.58 5.35 0.00 2.65 2.74 0.00 0.00 6.62 7.66 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 79 M 9.12 4.84 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 80 D 8.54 5.02 0.00 2.54 2.48 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 81 V 8.48 4.60 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 0.97 0.00 0.00 0.96 0.00 0.00 82 P 0.00 4.54 0.00 1.99 1.94 0.00 3.76 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.92 0.00 83 N 8.87 4.77 0.00 2.96 2.95 0.00 0.00 7.15 7.53 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 84 I 8.06 4.39 1.61 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.52 0.72 0.00 0.00 85 K 8.76 4.60 0.00 1.87 1.68 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.44 7.81 86 R 8.37 5.06 0.00 1.68 1.81 0.00 3.22 0.00 0.00 3.23 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 87 N 9.27 5.15 0.00 2.84 2.46 0.00 0.00 6.47 8.23 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 88 D 8.46 5.55 0.00 2.54 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 9.46 5.03 0.00 2.92 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 90 Q 8.91 4.90 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 91 L 8.66 4.85 0.00 1.71 1.64 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.61 4.63 1.94 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 1.35 0.89 0.97 0.00 0.00 93 G 6.96 4.58 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 0.00 0.00 0.00 94 I 7.92 5.06 1.73 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 0.95 -0.01 0.89 0.00 0.00 95 Q 9.43 4.43 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.25 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 96 D 9.92 4.54 0.00 2.88 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 97 G 8.42 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 98 Y 8.11 4.56 0.00 3.16 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 99 L 8.50 4.72 0.00 1.58 1.48 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 100 S 9.03 5.05 0.00 3.85 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 0.00 101 L 8.98 5.23 0.00 1.36 1.51 0.62 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 102 L 9.31 5.20 0.00 1.77 1.69 0.99 0.92 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 0.00 103 Q 8.93 4.74 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.64 0.00 104 D 8.57 4.37 0.00 2.61 2.70 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 0.00 105 S 7.89 4.17 0.00 3.98 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 0.00 106 G 7.81 3.97 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 0.00 0.00 0.00 107 E 8.04 4.07 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 108 V 8.30 4.88 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 0.99 0.00 0.00 0.97 0.00 0.00 109 R 9.03 4.73 0.00 2.07 1.96 0.00 2.67 0.00 0.00 2.44 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.34 0.00 110 E 8.94 5.61 0.00 1.91 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 2.19 2.20 0.00 111 D 8.12 4.66 0.00 2.77 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 0.00 112 L 7.64 4.50 0.00 1.52 1.55 0.72 0.81 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 0.00 113 R 8.41 3.12 0.00 1.39 1.57 0.00 3.09 0.00 0.00 2.99 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.88 0.00 114 L 7.95 3.87 0.00 1.57 1.49 0.85 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.27 0.00 2.18 1.97 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 116 E 8.61 4.41 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 117 G 8.48 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 0.00 118 D 8.72 4.36 0.00 2.78 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 0.00 119 L 7.98 4.06 0.00 1.75 1.80 0.93 1.05 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 0.00 120 G 7.63 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 0.00 121 K 8.09 4.02 0.00 1.95 1.88 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 122 E 8.71 3.93 0.00 2.03 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 0.00 2.32 2.37 0.00 123 I 8.01 3.77 2.00 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 1.53 0.79 0.89 0.00 0.00 124 E 8.30 4.04 0.00 2.20 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 2.36 2.35 0.00 125 Q 8.32 4.02 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 126 K 8.25 4.12 0.00 1.96 1.90 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.59 7.81 127 Y 7.95 4.15 0.00 3.17 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 0.00 128 D 8.51 4.25 0.00 2.79 2.70 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 0.00 129 C 7.51 4.24 0.00 3.13 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 0.00 130 G 7.52 3.94 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 0.00 0.00 0.00 131 E 7.60 4.22 0.00 1.98 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 2.34 2.27 0.00 132 E 8.80 4.32 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 2.23 1.91 0.00 133 I 8.51 4.64 1.98 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 1.62 1.02 0.96 0.00 0.00 134 L 8.32 5.31 0.00 1.63 1.59 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.93 4.98 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.10 0.95 0.00 0.00 136 T 8.77 5.07 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 0.00 137 V 9.14 4.76 2.27 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 0.92 0.00 0.00 0.65 0.00 0.00 138 L 9.15 5.29 0.00 1.74 1.52 0.81 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 139 S 9.01 5.56 0.00 3.83 3.75 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 0.00 140 A 9.69 4.79 1.24 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 0.00 0.00 0.00 141 M 8.84 2.78 0.00 2.15 1.79 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 142 T 8.54 4.36 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 1.19 0.00 0.00 143 E 7.86 4.48 0.00 1.72 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 1.47 1.70 0.00 144 E 8.22 5.80 0.00 1.94 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 145 A 8.67 4.73 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 0.00 146 A 8.43 4.89 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 0.00 147 V 9.15 4.49 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 0.71 0.00 0.00 1.01 0.00 0.00 148 A 7.59 4.58 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.28 5.07 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 1.37 1.03 0.96 0.00 0.00 150 K 8.68 4.31 0.00 1.73 1.61 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.