NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 L 4.4317 8.0433 122.7225 55.1700 43.7362 175.5331 15 Y 5.0952 8.6655 121.8501 55.3100 41.8310 174.0237 16 F 4.8089 10.0993 125.5356 57.7323 42.8626 174.5064 17 Q 3.2658 9.4611 126.9147 56.7697 26.1287 174.9136 18 G 3.9637 8.6356 104.8506 45.3091 0.0000 173.7540 19 N 5.2599 8.0098 117.4454 50.4150 41.1655 172.4456 20 P 4.3736 0.0000 0.0000 62.9066 32.8092 174.9860 21 V 4.8151 7.9921 121.7734 61.4055 33.7499 174.9071 22 V 4.9155 8.6777 119.6717 59.8345 36.5658 173.6742 23 Y 5.2647 8.4103 118.2703 55.6295 41.9360 173.9764 24 F 5.6659 9.2008 119.4217 56.0971 42.3314 174.1786 25 D 5.4050 9.3755 123.3982 53.4293 42.9554 175.5515 26 I 5.1992 8.6590 122.5386 59.7362 40.4516 174.7267 27 S 5.2857 9.1467 121.7253 56.8014 66.6939 173.1261 28 I 4.7968 8.6596 123.5757 59.5301 39.5256 175.4257 29 G 3.6532 8.9841 118.1923 47.2141 0.0000 174.3449 30 Q 4.3209 8.7912 121.9006 56.3406 29.2854 175.4544 31 T 4.5247 7.7774 117.3442 61.0806 70.0076 172.3530 32 P 4.6843 0.0000 0.0000 62.3883 31.7403 176.0669 33 A 4.4365 9.0541 125.2054 51.4158 20.4338 175.7347 34 G 3.7779 8.0928 100.9802 43.7940 0.0000 171.7552 35 R 5.2505 8.4655 117.6624 54.6126 32.9976 175.3707 36 I 4.9479 9.0850 126.9056 59.7816 39.7319 174.5832 37 T 5.0779 8.7199 117.5052 60.2085 71.5968 173.3245 38 M 5.0365 8.9537 122.9370 53.5556 36.6099 173.7687 39 E 4.7618 8.7203 123.7989 55.0473 31.6136 174.5017 40 L 4.6944 8.4166 126.8911 52.2426 43.6547 177.8320 41 F 4.9182 8.4760 124.9652 56.7075 37.6322 176.6337 42 A 4.1858 8.0568 124.6861 55.1487 19.1199 179.1125 43 D 4.5837 8.4295 114.7590 55.7206 39.4758 177.4635 44 K 4.5002 8.2037 116.0775 56.0393 34.7769 176.0099 45 V 4.6472 8.2874 118.9151 60.5800 31.6996 174.6153 46 P 4.3886 0.0000 0.0000 66.1833 31.7290 178.2444 47 I 3.6655 8.0248 119.1003 64.4656 37.1107 178.4660 48 T 4.0173 9.0500 116.6633 66.4370 68.2383 176.7250 49 A 4.1308 8.3331 122.9931 55.3635 18.3468 179.3774 50 E 3.8906 8.5176 117.9214 59.1413 29.7251 178.2578 51 N 3.9313 7.9895 117.0918 56.6967 38.9921 176.5393 52 F 4.0911 8.0985 121.7398 61.1969 39.5973 176.7845 53 R 3.8827 8.4686 118.4706 59.7022 29.8121 178.3854 54 A 3.9136 8.1256 120.4564 55.0206 18.2085 179.5761 55 L 3.6508 7.7794 117.4771 57.4706 41.2554 179.4955 56 C 4.1605 7.5812 116.5504 63.0763 28.1847 175.9278 57 T 3.9757 7.4974 109.9035 62.5806 68.8150 175.7349 58 G 4.1488 8.1867 108.9389 44.8968 0.0000 174.9977 59 E 3.9503 7.7521 118.4649 58.5972 29.4643 178.1642 60 K 4.1100 7.8249 117.0000 56.4673 33.6905 178.4114 61 G 3.8718 7.5134 108.3958 46.7623 0.0000 174.7504 62 M 4.5121 8.4840 123.9066 53.8090 33.2923 176.0361 63 G 4.0205 8.7173 112.2219 44.2137 0.0000 174.7164 64 Q 4.0663 8.8083 118.2202 58.8050 28.6699 178.9255 65 S 4.1594 8.8251 111.8937 59.6200 63.1668 175.3973 66 G 3.9512 8.2298 109.2598 45.0240 0.0000 173.3264 67 K 4.5829 7.6618 119.1215 53.7183 34.0789 174.2917 68 P 4.5945 0.0000 0.0000 62.7336 32.2189 177.9936 69 L 3.7253 8.4656 123.9651 53.1413 39.5515 175.1673 70 C 4.6031 5.7800 118.1921 58.0051 35.0415 173.5455 71 Y 4.3918 8.4229 124.1834 60.4187 37.8957 176.1879 72 T 4.0920 7.6043 116.8546 65.2004 68.6739 174.2751 73 G 3.7804 9.3494 116.1674 44.7388 0.0000 173.4375 74 S 4.0809 7.6047 114.7817 57.3878 65.2515 173.0288 75 F 5.4310 8.0585 117.5781 55.6379 42.6583 175.3932 76 F 4.6429 9.1729 120.7707 57.3800 37.9104 175.3444 77 H 4.7037 8.6592 120.2121 56.3795 29.8048 175.5201 78 R 4.7376 7.5840 119.6512 54.6893 33.3751 173.7585 79 I 4.7062 9.0685 127.3311 59.8083 41.3915 174.5725 80 I 4.7717 8.5303 128.9268 58.5921 39.4180 173.8474 81 P 4.5343 0.0000 0.0000 64.1835 31.6723 176.5027 82 Q 3.7339 9.8065 119.7769 56.7093 26.0783 173.9943 83 F 5.4034 7.1334 119.1487 57.8801 43.2643 174.0155 84 M 4.9639 8.1497 112.6633 54.6804 35.4201 173.1590 85 I 4.8577 8.4197 112.8104 59.0972 40.6915 174.2226 86 Q 4.8194 9.3025 126.2461 54.6809 32.4279 174.3254 87 G 3.3106 7.7424 112.1993 45.7277 0.0000 173.2843 88 G 4.5129 7.7984 110.2611 46.6474 0.0000 174.2081 89 D 4.3743 7.6424 120.7363 52.9896 39.5631 175.8331 90 F 4.8241 7.4297 114.9748 56.4046 38.8415 177.1790 91 T 4.4478 7.6046 111.3828 62.6968 70.1263 175.2985 92 R 4.4443 8.4917 117.9952 54.2088 32.1753 176.3027 93 G 4.0058 8.2491 105.4884 46.1123 0.0000 173.7364 94 D 4.6243 8.0512 115.0064 52.3012 40.5877 176.4672 95 G 4.0273 8.7755 109.0088 45.3516 0.0000 174.2982 96 T 4.3455 8.0907 108.6717 61.5107 70.2296 174.8415 97 G 4.1824 8.1348 111.8047 44.7419 0.0000 173.0340 98 G 3.4914 10.2307 108.2917 45.3726 0.0000 172.5922 99 E 4.6765 7.2750 115.2652 54.9924 32.6173 175.4624 100 S 4.7428 8.4938 115.9965 57.1671 64.5334 175.0542 101 I 3.6183 8.3894 114.6279 63.2545 37.1435 176.4897 102 Y 4.3667 7.2390 117.7019 57.9361 37.9607 176.1549 103 G 3.7943 7.9097 108.4729 45.7949 0.0000 173.4491 *105 K 4.6360 7.6679 117.4449 56.5420 34.0669 174.4793 106 F 5.1712 8.6754 115.1972 54.5485 41.7464 174.1156 107 R 4.3082 8.7678 119.7212 56.4032 30.7797 175.9430 108 D 4.3158 8.8732 125.4448 54.3863 40.3776 176.3596 109 E 4.0333 8.6978 124.1063 58.8764 30.0568 176.1873 110 N 4.2766 6.8602 113.6893 52.5614 39.4707 173.3374 111 F 5.0915 8.2541 115.0496 56.9036 39.9854 176.9746 112 V 3.5904 8.3973 122.3020 65.6488 31.7054 175.4930 113 Y 4.7850 7.6748 115.5323 56.6052 39.4430 174.9171 114 T 4.6386 8.2836 112.7124 60.3920 72.0019 174.5729 115 H 4.5966 9.5035 120.8518 54.8706 27.2479 176.2636 116 D 4.6457 7.7487 116.3321 53.6062 40.6956 176.6622 117 A 4.6695 7.3453 121.4538 49.8584 22.2370 173.9633 118 P 4.1447 0.0000 0.0000 63.8280 32.0396 176.1533 119 F 4.0787 8.5472 116.1800 58.3996 36.8081 174.6409 120 L 4.6995 7.5950 120.5748 53.9837 43.3834 175.7729 121 L 4.4898 8.0027 123.0349 53.6912 43.0596 175.8375 122 S 5.0083 8.1283 117.2671 56.6964 66.5898 172.3845 123 M 4.9907 8.8668 124.2334 54.6555 32.3418 176.5681 124 A 4.7831 8.8289 126.2726 52.5785 19.5606 175.9722 125 N 4.7588 8.5836 115.6636 52.6031 39.9430 173.7791 126 A 4.6427 8.6323 120.2663 52.3962 19.3277 174.9051 127 G 3.7133 8.4896 106.1661 44.5401 0.0000 172.3765 128 P 4.3485 0.0000 0.0000 64.2670 31.4989 176.3529 129 N 4.3261 9.3526 121.5335 55.2416 36.1954 174.5685 130 T 4.6211 7.6657 103.4742 61.1448 69.7819 173.6116 131 N 4.3564 7.7898 119.8170 54.2566 40.4447 173.1926 132 G 4.2135 8.8125 108.9130 45.7879 0.0000 174.5325 133 S 4.9405 9.1258 122.4070 57.6971 65.1805 174.1489 134 Q 4.7184 8.1334 121.4625 56.2189 29.7532 175.2697 135 F 5.5342 8.9004 117.6581 55.4955 42.3623 173.0416 136 F 5.5260 9.3530 113.5373 55.3112 41.9362 173.4890 137 I 5.0417 8.8312 121.3222 59.6609 39.4646 175.6032 138 T 4.6315 8.9055 118.4779 61.9941 69.8920 175.0262 139 T 4.1961 8.7222 111.9031 61.5491 69.8597 173.7027 140 V 4.5642 7.5033 113.7788 59.1268 36.1991 172.8194 141 P 4.3437 0.0000 0.0000 62.5550 31.7911 176.9108 142 C 3.0643 8.2940 120.1042 57.1764 28.4402 173.5957 143 P 4.5468 0.0000 0.0000 64.6375 31.5917 179.1552 144 W 4.3756 8.0012 114.8566 58.3609 28.2298 176.4349 145 L 4.4115 7.4041 118.7931 55.0388 41.6003 176.3405 146 D 4.6708 7.7158 120.2951 55.7974 41.0856 177.5760 147 G 3.1588 8.8130 110.4847 45.4341 0.0000 173.9230 148 K 4.3268 7.8647 117.7017 56.0559 34.5909 176.2028 149 H 5.0811 8.2065 114.6405 53.7054 31.9068 172.9741 150 V 4.1694 8.6391 124.2380 62.4564 32.4346 174.8578 151 V 4.5847 8.6793 129.1433 62.6337 32.1729 175.4267 152 F 5.0901 8.6578 120.0149 56.1593 40.4346 174.1399 153 G 2.4703 6.4751 105.2615 46.0378 0.0000 172.1410 154 K 4.8562 7.2627 117.1300 55.3152 36.2782 175.4919 155 V 3.8863 8.4919 122.7473 63.4176 31.6010 175.3617 156 L 4.2493 8.8860 128.7584 56.3877 42.1752 176.5064 157 E 4.4282 7.9392 117.0203 54.8290 34.0765 176.3346 158 G 4.1209 8.5394 107.5058 47.6417 0.0000 175.3045 159 M 3.3980 7.8823 121.6609 58.2594 31.5654 178.4184 160 E 3.9769 7.9498 117.9206 59.1921 29.6320 179.4101 161 V 3.5527 7.5627 118.0729 65.8236 31.5847 177.9732 162 V 3.5614 7.7994 118.0234 66.1092 31.4171 178.2088 163 K 4.0553 8.2422 118.1411 59.4989 31.6308 179.5137 164 S 4.1324 8.1664 114.9419 61.6192 63.0142 176.4843 165 I 3.7879 7.8146 122.4071 64.3800 36.8539 177.8965 166 E 3.8997 8.3778 120.3036 59.4628 29.1802 179.0586 167 K 4.1234 7.8758 116.9451 58.9301 32.3018 177.4325 168 C 4.4019 8.1391 116.2543 59.7566 28.2317 173.7802 169 G 4.0704 7.6931 110.2365 44.4775 0.0000 172.9964 170 S 4.7241 8.3630 113.4935 56.6543 67.1773 175.4148 171 Q 4.0018 8.9174 121.2382 59.4298 28.3679 178.1138 172 N 4.5522 8.1300 111.3567 52.7949 37.7444 176.0160 173 G 3.9370 8.3695 108.1416 45.6161 0.0000 173.8112 174 K 4.3702 8.1670 120.2305 55.3525 32.3381 175.3881 175 P 4.5921 0.0000 0.0000 63.0505 31.7636 176.4653 176 T 4.3914 8.7144 111.7155 61.9846 69.6666 174.6388 177 K 4.7011 7.4390 120.0546 54.4827 36.7602 175.8449 178 S 4.1889 8.6460 117.4882 58.3257 63.5844 172.8789 179 V 4.8561 8.6075 128.0614 61.6411 33.3677 173.8431 180 C 5.4298 9.2271 126.1603 57.9960 31.8698 173.8336 181 I 4.5549 8.7142 125.0112 61.1310 36.5899 176.5073 182 T 4.2424 9.0246 118.8643 63.3417 69.7350 174.8083 183 A 4.8722 7.8864 122.4348 51.2331 22.6444 175.3089 184 S 4.5614 7.8716 112.0042 56.3882 66.8348 175.9101 185 G 3.6618 5.7372 107.0405 46.0983 0.0000 173.3360 186 V 4.0769 8.0016 115.0088 61.5880 32.0654 175.4268 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 14 L 8.04 4.43 0.00 1.78 1.54 0.97 0.54 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 15 Y 8.67 5.10 0.00 3.08 2.87 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 16 F 10.10 4.81 0.00 2.99 2.90 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 17 Q 9.46 3.27 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.40 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 18 G 8.64 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 19 N 8.01 5.26 0.00 3.22 3.10 0.00 0.00 6.67 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 20 P 0.00 4.37 0.00 2.05 2.06 0.00 4.01 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 2.13 2.07 0.00 21 V 7.99 4.82 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 0.77 0.00 0.00 0.98 0.00 0.00 22 V 8.68 4.92 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 0.66 0.00 0.00 0.93 0.00 0.00 23 Y 8.41 5.26 0.00 3.13 2.95 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 24 F 9.20 5.67 0.00 3.05 2.95 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 25 D 9.38 5.41 0.00 2.76 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 26 I 8.66 5.20 1.95 0.00 0.00 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 1.40 1.13 0.98 0.00 0.00 27 S 9.15 5.29 0.00 3.81 3.85 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 28 I 8.66 4.80 1.90 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 1.19 1.06 0.93 0.00 0.00 29 G 8.98 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.79 4.32 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 31 T 7.78 4.52 4.35 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 1.23 0.00 0.00 32 P 0.00 4.68 0.00 2.06 2.02 0.00 3.72 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 33 A 9.05 4.44 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 34 G 8.09 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 35 R 8.47 5.25 0.00 2.05 1.75 0.00 3.01 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.95 0.00 36 I 9.09 4.95 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.89 0.00 0.00 37 T 8.72 5.08 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 1.17 0.00 0.00 38 M 8.95 5.04 0.00 1.58 1.71 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 39 E 8.72 4.76 0.00 2.09 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 2.32 2.48 0.00 40 L 8.42 4.69 0.00 1.59 1.62 1.15 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.48 4.92 0.00 3.17 3.05 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 42 A 8.06 4.19 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 D 8.43 4.58 0.00 2.87 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 44 K 8.20 4.50 0.00 1.91 1.82 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.32 7.81 45 V 8.29 4.65 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 1.34 0.00 0.00 1.44 0.00 0.00 46 P 0.00 4.39 0.00 2.33 2.47 0.00 3.94 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 2.19 2.08 0.00 47 I 8.02 3.67 2.11 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.91 0.51 0.00 0.00 48 T 9.05 4.02 4.35 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 0.93 0.00 0.00 49 A 8.33 4.13 1.52 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 0.00 0.00 50 E 8.52 3.89 0.00 2.18 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 0.00 2.34 2.32 0.00 51 N 7.99 3.93 0.00 2.65 2.93 0.00 0.00 6.85 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 52 F 8.10 4.09 0.00 3.03 3.22 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 53 R 8.47 3.88 0.00 2.10 2.06 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 54 A 8.13 3.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.78 3.65 0.00 1.08 0.34 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 56 C 7.58 4.16 0.00 3.01 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 57 T 7.50 3.98 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 1.20 0.00 0.00 58 G 8.19 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 0.00 0.00 0.00 59 E 7.75 3.95 0.00 2.07 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 2.20 2.20 0.00 60 K 7.82 4.11 0.00 1.62 1.78 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.20 7.81 61 G 7.51 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 62 M 8.48 4.51 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 63 G 8.72 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 0.00 0.00 0.00 64 Q 8.81 4.07 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.03 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 65 S 8.83 4.16 0.00 3.95 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 0.00 66 G 8.23 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 67 K 7.66 4.58 0.00 2.05 1.84 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.63 1.47 7.81 68 P 0.00 4.59 0.00 1.81 1.83 0.00 3.60 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 1.93 2.03 0.00 69 L 8.47 3.73 0.00 1.52 1.36 0.83 0.69 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 70 C 5.78 4.60 0.00 2.56 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.42 4.39 0.00 2.91 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.60 4.09 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 1.20 0.00 0.00 73 G 9.35 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 74 S 7.60 4.08 0.00 3.84 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 75 F 8.06 5.43 0.00 3.10 3.05 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 76 F 9.17 4.64 0.00 2.97 3.05 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 77 H 8.66 4.70 0.00 3.14 3.48 0.00 5.50 0.00 0.00 0.00 0.00 6.86 0.00 0.00 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0.00 86 Q 9.30 4.82 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.48 0.00 0.00 0.00 0.00 0.00 2.07 2.44 0.00 87 G 7.74 3.31 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 0.00 88 G 7.80 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.64 4.37 0.00 2.55 2.42 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 90 F 7.43 4.82 0.00 3.06 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 91 T 7.60 4.45 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 1.08 0.00 0.00 92 R 8.49 4.44 0.00 1.92 1.90 0.00 3.22 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 93 G 8.25 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 0.00 0.00 0.00 94 D 8.05 4.62 0.00 2.83 2.69 0.00 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0.00 0.00 0.00 0.00 112 V 8.40 3.59 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 -0.03 0.00 0.00 0.80 0.00 0.00 113 Y 7.67 4.78 0.00 3.14 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.28 4.64 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 115 H 9.50 4.60 0.00 3.13 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 7.75 4.65 0.00 2.78 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 0.00 117 A 7.35 4.67 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 0.00 118 P 0.00 4.14 0.00 0.93 1.74 0.00 3.84 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 119 F 8.55 4.08 0.00 3.26 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 0.00 120 L 7.60 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0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 129 N 9.35 4.33 0.00 2.87 2.92 0.00 0.00 6.84 8.16 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 0.00 130 T 7.67 4.62 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 131 N 7.79 4.36 0.00 1.44 1.80 0.00 0.00 6.70 7.29 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 0.00 132 G 8.81 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 0.00 0.00 0.00 0.00 133 S 9.13 4.94 0.00 4.31 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 0.00 134 Q 8.13 4.72 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 135 F 8.90 5.53 0.00 3.56 3.53 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 0.00 136 F 9.35 5.53 0.00 3.16 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 0.00 137 I 8.83 5.04 2.03 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.19 1.04 0.00 0.00 138 T 8.91 4.63 4.49 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 1.42 0.00 0.00 139 T 8.72 4.20 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 1.19 0.00 0.00 140 V 7.50 4.56 2.17 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 0.79 0.00 0.00 1.24 0.00 0.00 141 P 0.00 4.34 0.00 1.94 2.02 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 142 C 8.29 3.06 0.00 2.53 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 0.00 0.00 0.00 143 P 0.00 4.55 0.00 2.26 2.31 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.98 0.00 144 W 8.00 4.38 0.00 3.36 3.36 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 0.00 145 L 7.40 4.41 0.00 1.21 1.61 0.84 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 146 D 7.72 4.67 0.00 2.81 2.62 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 0.00 147 G 8.81 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 0.00 0.00 0.00 148 K 7.86 4.33 0.00 1.91 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.25 7.81 149 H 8.21 5.08 0.00 3.47 3.71 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.64 4.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.81 0.00 0.00 151 V 8.68 4.58 2.39 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 0.94 0.00 0.00 0.70 0.00 0.00 152 F 8.66 5.09 0.00 3.16 3.23 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 0.00 153 G 6.48 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 0.00 0.00 0.00 154 K 7.26 4.86 0.00 1.78 1.85 0.00 1.38 0.00 0.00 1.76 0.00 0.00 3.31 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.32 7.81 155 V 8.49 3.89 2.01 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 0.65 0.00 0.00 0.94 0.00 0.00 156 L 8.89 4.25 0.00 1.28 1.35 0.47 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 157 E 7.94 4.43 0.00 1.72 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 2.11 2.09 0.00 158 G 8.54 4.12 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 0.00 159 M 7.88 3.40 0.00 1.06 1.68 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.71 0.00 160 E 7.95 3.98 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 161 V 7.56 3.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.06 0.00 0.00 162 V 7.80 3.56 2.43 0.00 0.00 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 1.03 0.00 0.00 163 K 8.24 4.06 0.00 2.02 1.90 0.00 1.98 0.00 0.00 1.96 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.91 1.77 7.81 164 S 8.17 4.13 0.00 3.98 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 0.00 165 I 7.81 3.79 1.84 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.62 0.64 0.00 0.00 166 E 8.38 3.90 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 167 K 7.88 4.12 0.00 2.01 1.87 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.69 7.81 168 C 8.14 4.40 0.00 3.13 2.95 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 0.00 169 G 7.69 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 0.00 170 S 8.36 4.72 0.00 4.00 3.71 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 0.00 171 Q 8.92 4.00 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.20 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 172 N 8.13 4.55 0.00 2.81 2.92 0.00 0.00 6.07 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 G 8.37 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 0.00 174 K 8.17 4.37 0.00 1.86 1.77 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.52 7.81 175 P 0.00 4.59 0.00 2.07 2.05 0.00 3.66 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 176 T 8.71 4.39 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 0.00 177 K 7.44 4.70 0.00 1.60 1.69 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.42 7.81 178 S 8.65 4.19 0.00 3.80 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 0.00 179 V 8.61 4.86 2.28 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 1.16 0.00 0.00 1.03 0.00 0.00 180 C 9.23 5.43 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 0.00 181 I 8.71 4.55 1.74 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.64 0.66 0.00 0.00 182 T 9.02 4.24 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 1.29 0.00 0.00 183 A 7.89 4.87 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 S 7.87 4.56 0.00 4.08 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 G 5.74 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 0.00 186 V 8.00 4.08 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 0.73 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.