NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4316 8.1933 115.4058 58.7608 65.2886 175.8200 4 T 3.5211 7.9255 117.8172 65.2710 68.5652 174.2918 5 A 4.0376 8.1849 122.5507 55.1044 19.8083 178.1573 6 L 4.0219 8.0250 117.2337 58.3756 42.5052 179.2400 7 E 3.9793 8.0469 114.2823 57.1630 28.9008 178.4623 *9 A 3.9762 8.1074 124.0224 52.3483 20.6307 179.8657 10 S 3.9834 7.9744 111.8439 61.8698 62.6358 176.9232 11 R 3.8886 7.3946 118.9643 59.5250 30.0270 178.6378 12 F 4.6645 7.7867 116.5599 60.7915 38.8611 177.7211 13 V 3.3217 7.7449 117.8538 66.0602 31.1253 177.5941 14 N 4.6203 8.2153 114.1441 55.2950 38.4229 177.2267 15 R 4.2064 7.6283 119.8586 57.7967 30.5142 176.9080 16 S 4.5047 7.5370 113.3764 56.8487 63.0025 172.8986 17 P 4.4076 0.0000 0.0000 65.5364 31.0012 178.5320 18 F 4.5364 8.2958 119.1206 61.5127 39.2947 176.4266 19 N 4.2180 8.0734 114.7917 56.8085 38.6486 177.2104 20 R 4.0811 8.1297 118.9665 59.0393 29.9559 178.9236 21 W 4.1805 8.3122 127.1806 60.2350 30.9264 177.1412 22 L 4.0596 8.1779 117.0107 52.8694 40.9511 174.3267 23 G 3.7382 7.5908 112.3573 45.4647 0.0000 173.2882 *25 S 4.2272 8.1359 117.9675 58.2086 65.1465 172.4977 26 V 4.5067 8.1465 120.0778 61.7126 31.8259 175.1107 27 L 4.5385 9.0557 128.2041 56.2511 43.1960 176.9461 28 E 4.8675 7.8975 115.9836 55.1604 34.0707 174.5173 29 A 5.0519 8.3448 124.5985 50.0031 23.0634 177.4656 30 G 3.9049 7.5500 106.7687 46.1416 0.0000 173.2427 31 E 3.9738 8.4728 118.8172 59.2740 29.6573 177.6381 32 Q 4.3312 7.9988 115.7641 55.7754 29.7114 176.2970 33 G 3.9869 8.4149 104.2191 44.1917 0.0000 172.5697 34 I 4.8750 8.8643 121.7536 59.1304 42.2701 175.1144 35 V 4.9357 8.9316 126.8074 61.1667 34.3100 174.3686 36 L 5.2489 9.2275 127.6475 53.0050 45.0659 175.6109 37 G 4.6623 8.9692 107.9416 44.5308 0.0000 171.8452 38 I 5.0092 8.4793 113.3603 58.8868 41.6875 173.9736 39 K 4.9894 8.4429 122.8535 54.2535 33.4658 176.4729 40 W 4.1645 9.3655 135.0000 57.6720 31.4040 175.4199 41 R 4.1968 6.9603 123.5217 53.8123 34.0009 176.0153 42 E 3.4915 7.9674 118.6696 59.3569 29.5575 179.2455 43 E 4.2175 7.7042 116.4369 58.2474 29.8304 177.7530 44 L 4.2534 7.4451 119.0719 56.5232 42.0543 177.2399 45 I 4.4100 7.3985 119.9864 61.4252 36.9328 174.6378 46 S 4.4462 8.7290 118.8588 58.8665 64.0074 173.6378 47 S 4.6223 8.0817 115.4724 56.4933 63.5285 173.9929 48 P 4.4029 0.0000 0.0000 65.4071 31.5981 177.6902 49 E 4.1347 8.2265 118.0991 58.8870 29.5798 177.6730 50 I 4.0683 7.7093 116.9325 60.9027 38.0231 175.5483 51 R 3.9916 7.8284 118.5224 57.0483 28.0362 176.4111 52 S 4.7718 7.8324 111.3760 58.1688 64.9890 173.8419 53 T 4.6269 8.8486 120.5065 63.5507 69.2141 174.0815 54 H 4.0149 9.4852 126.9068 56.3344 30.6030 176.2206 55 G 3.8151 9.0655 112.2905 48.3131 0.0000 175.9231 56 G 3.8123 8.4646 106.9406 47.4639 0.0000 175.7942 57 I 3.9459 7.9636 122.3451 64.4085 37.0814 178.4464 58 L 4.1538 8.1246 119.2884 57.6235 41.5409 179.1768 59 A 4.0407 8.3455 120.9244 55.4133 18.3487 179.5903 60 T 3.9747 8.2689 114.3696 67.1180 68.5037 176.7645 61 L 4.1884 7.9298 120.4871 57.4916 41.7396 179.6626 62 V 3.6047 8.0322 118.3659 66.0404 31.4620 177.5030 63 D 4.4255 8.5880 117.8933 57.3584 41.0449 178.0037 64 A 3.7323 8.6406 121.2454 55.1498 18.5066 179.4254 65 A 4.1302 8.4465 119.6913 55.3358 18.4716 180.1867 66 G 3.8801 8.0741 105.3428 47.4341 0.0000 175.1075 67 D 3.3700 7.9977 120.6287 57.3929 41.0455 178.1949 68 Y 4.4194 7.8372 116.4888 60.4242 37.6681 178.2460 69 A 4.0140 7.7089 121.6150 55.0114 18.6931 179.4695 70 V 3.6167 7.6912 116.6120 66.0718 31.6019 177.9351 71 A 4.3923 8.2380 122.1850 54.6870 17.8969 179.5946 72 L 4.1333 7.6775 116.5150 57.5155 41.6578 179.2184 73 K 4.0570 7.9015 118.0360 58.7418 32.4900 178.8429 74 T 4.2470 7.7698 109.7148 62.8180 68.9707 176.3600 75 G 4.2762 9.8570 108.8281 45.0420 0.0000 172.5465 76 H 4.4182 7.3563 113.3539 52.5600 31.4340 171.5148 77 P 4.3815 0.0000 0.0000 63.3229 31.4594 175.8926 78 V 4.5477 8.2432 112.1495 58.7477 35.2519 174.1319 79 P 4.5144 0.0000 0.0000 63.1636 32.5245 176.5367 80 T 4.5166 8.3680 120.5281 62.9096 70.6251 172.5938 *82 D 4.3136 8.0824 119.6440 53.7001 41.4093 173.4728 *84 H 4.8091 8.4870 116.3447 56.4997 31.4083 173.4281 85 V 4.6993 7.7073 123.2097 60.0011 34.1918 174.1420 86 D 4.6762 9.0494 125.0525 52.8172 42.9305 174.8215 87 Y 4.8432 8.3142 120.8131 57.2546 38.9770 174.3820 88 H 4.9595 9.5636 121.0438 56.9756 30.8362 175.2239 89 R 4.7197 7.8429 113.7823 53.7255 33.9984 175.0049 90 V 3.6902 8.4488 120.4592 63.4913 32.4124 175.5038 91 A 4.6571 8.6390 129.8865 50.5993 19.6295 176.5804 92 T 4.3859 8.2757 111.4416 61.1867 70.3990 172.8099 93 P 3.2869 0.0000 0.0000 60.9671 31.4146 176.7111 94 G 4.0683 7.1337 113.2700 44.6461 0.0000 171.3330 95 D 4.7848 8.0084 119.6559 54.2884 41.8224 176.0136 96 L 5.1381 8.4288 118.7700 53.1490 46.2375 175.8136 97 R 5.2497 8.9845 119.9458 54.3619 33.7779 174.5335 98 A 5.1590 8.9568 124.5705 50.2758 21.8873 174.6435 99 E 5.0163 9.5712 123.2333 54.8110 32.0288 175.5197 100 G 4.4649 9.4194 111.5105 44.5094 0.0000 171.5819 101 Q 5.0143 9.0921 123.1926 53.8195 32.9417 174.8297 102 V 4.1497 8.4799 123.2710 63.2025 31.8206 175.2717 103 I 4.3461 9.2042 128.5015 62.5041 39.2333 175.8118 104 H 4.9448 8.1103 120.6366 54.2730 33.3741 172.0142 105 F 4.9287 8.8597 127.1393 56.8433 41.1155 173.7911 106 G 4.0670 8.2722 118.7355 43.9949 0.0000 171.5499 107 K 4.0016 8.4066 118.9757 58.4188 32.6758 178.5028 108 R 4.4007 7.5147 113.8320 55.1194 33.3786 174.7930 109 F 5.5167 7.8968 116.3177 55.5637 43.6061 173.6064 110 A 5.3553 9.0603 122.2357 50.6178 23.0579 174.9415 111 T 5.2879 9.3793 116.4683 61.7685 71.6484 173.3551 112 A 5.3250 9.1313 127.1719 50.5246 22.7372 174.5076 113 H 5.6352 9.1989 116.6635 54.1871 32.2993 173.5407 114 A 5.2852 9.1022 121.8945 50.5559 23.1304 175.1306 115 R 4.8679 9.0152 119.6627 54.3410 33.5102 174.9223 116 V 4.8430 8.9992 124.2096 61.3176 33.6334 174.4947 117 L 5.2573 9.3151 127.4235 54.4233 45.8771 175.9829 118 D 4.2894 9.2798 123.0882 54.8634 37.6170 177.9298 *120 D 4.4357 9.2701 118.0453 53.0190 43.2291 176.2106 121 G 3.9427 8.2755 107.4740 45.3094 0.0000 173.5990 122 N 4.4353 8.3961 118.3045 52.5301 39.0468 174.3136 123 L 4.4846 8.4888 125.1371 55.3287 42.8510 176.4888 124 V 4.4545 8.6254 118.7802 62.3500 34.2501 175.5009 125 A 5.0202 7.6879 119.6669 51.0553 22.6298 175.1841 126 S 5.0102 8.5670 113.9114 56.9023 67.5811 172.6099 127 G 4.3355 8.2567 106.4613 46.3525 0.0000 172.1743 128 R 5.5006 8.8341 115.5392 54.9480 32.9767 174.3414 129 A 4.6768 8.8808 119.9238 50.7321 23.1342 174.7411 130 L 4.9959 7.9676 122.4207 53.6232 43.7466 175.4359 131 Y 5.0088 9.1936 123.6525 56.1310 41.7449 174.2207 132 L 4.8270 8.5928 124.3304 53.9445 43.3107 176.3382 133 I 4.1223 8.6121 128.7358 60.4886 37.1397 176.2525 134 R 4.0873 8.2091 126.4531 56.3656 30.2875 174.6790 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 3 S 8.19 4.43 0.00 3.99 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 4 T 7.93 3.52 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 1.17 0.00 0.00 5 A 8.18 4.04 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 6 L 8.02 4.02 0.00 1.64 1.62 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.05 3.98 0.00 2.20 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 2.27 2.32 0.00 *9 A 8.11 3.98 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 10 S 7.97 3.98 0.00 3.94 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 11 R 7.39 3.89 0.00 1.55 2.02 0.00 3.18 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 1.64 1.60 0.00 12 F 7.79 4.66 0.00 2.96 2.99 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 13 V 7.74 3.32 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 0.95 0.00 0.00 0.31 0.00 0.00 14 N 8.22 4.62 0.00 2.70 2.87 0.00 0.00 7.12 8.43 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 15 R 7.63 4.21 0.00 2.06 2.07 0.00 3.37 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 16 S 7.54 4.50 0.00 4.05 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 0.00 17 P 0.00 4.41 0.00 2.28 2.17 0.00 3.73 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 18 F 8.30 4.54 0.00 3.06 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 19 N 8.07 4.22 0.00 3.09 2.94 0.00 0.00 7.16 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 20 R 8.13 4.08 0.00 2.11 2.03 0.00 3.16 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 21 W 8.31 4.18 0.00 3.39 3.47 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 22 L 8.18 4.06 0.00 1.75 1.51 0.41 0.62 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 23 G 7.59 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 0.00 0.00 0.00 *25 S 8.14 4.23 0.00 3.91 4.03 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 26 V 8.15 4.51 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 0.83 0.00 0.00 0.81 0.00 0.00 27 L 9.06 4.54 0.00 1.51 1.69 0.96 0.89 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 28 E 7.90 4.87 0.00 1.87 1.77 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 2.29 2.31 0.00 29 A 8.34 5.05 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 30 G 7.55 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.47 3.97 0.00 1.95 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 0.00 2.29 2.26 0.00 32 Q 8.00 4.33 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.38 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 33 G 8.41 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 0.00 0.00 0.00 34 I 8.86 4.88 1.92 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 1.16 1.41 1.05 0.00 0.00 35 V 8.93 4.94 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 0.84 0.00 0.00 0.94 0.00 0.00 36 L 9.23 5.25 0.00 1.63 1.56 1.15 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.97 4.66 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 38 I 8.48 5.01 1.97 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 1.25 0.95 0.89 0.00 0.00 39 K 8.44 4.99 0.00 1.56 1.75 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.52 7.81 40 W 9.37 4.16 0.00 3.33 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 41 R 6.96 4.20 0.00 1.41 1.30 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.98 0.00 42 E 7.97 3.49 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 43 E 7.70 4.22 0.00 2.11 2.35 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 2.54 2.47 0.00 44 L 7.45 4.25 0.00 1.45 1.64 0.80 0.49 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 45 I 7.40 4.41 2.10 0.00 0.00 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 1.47 0.80 1.03 0.00 0.00 46 S 8.73 4.45 0.00 3.69 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 47 S 8.08 4.62 0.00 3.92 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 48 P 0.00 4.40 0.00 2.20 2.22 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 49 E 8.23 4.13 0.00 1.97 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 2.32 2.40 0.00 50 I 7.71 4.07 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.52 0.91 0.00 0.00 51 R 7.83 3.99 0.00 1.98 2.09 0.00 3.19 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 52 S 7.83 4.77 0.00 3.91 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 53 T 8.85 4.63 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 1.36 0.00 0.00 54 H 9.49 4.01 0.00 3.44 3.24 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 55 G 9.07 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 0.00 0.00 0.00 56 G 8.46 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 57 I 7.96 3.95 2.17 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.48 1.00 0.00 0.00 58 L 8.12 4.15 0.00 2.23 1.90 1.17 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.35 4.04 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 60 T 8.27 3.97 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 1.39 0.00 0.00 61 L 7.93 4.19 0.00 1.99 1.78 0.99 0.80 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 62 V 8.03 3.60 2.24 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 1.02 0.00 0.00 1.00 0.00 0.00 63 D 8.59 4.43 0.00 2.85 2.88 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 64 A 8.64 3.73 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 0.00 0.00 0.00 0.00 0.00 65 A 8.45 4.13 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.07 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 0.00 0.00 0.00 67 D 8.00 3.37 0.00 2.59 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 0.00 0.00 0.00 0.00 68 Y 7.84 4.42 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.71 4.01 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.69 3.62 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 1.20 0.00 0.00 0.87 0.00 0.00 71 A 8.24 4.39 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 72 L 7.68 4.13 0.00 1.69 1.72 0.97 1.25 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 73 K 7.90 4.06 0.00 1.31 0.95 0.00 1.01 0.00 0.00 0.84 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.12 1.15 7.81 74 T 7.77 4.25 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 1.38 0.00 0.00 75 G 9.86 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 0.00 0.00 0.00 0.00 76 H 7.36 4.42 0.00 3.02 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.38 0.00 2.11 2.08 0.00 2.80 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 78 V 8.24 4.55 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 0.76 0.00 0.00 0.81 0.00 0.00 79 P 0.00 4.51 0.00 2.12 1.99 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 80 T 8.37 4.52 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 0.98 0.00 0.00 *82 D 8.08 4.31 0.00 2.73 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 *84 H 8.49 4.81 0.00 3.24 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.71 4.70 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 0.55 0.00 0.00 0.41 0.00 0.00 86 D 9.05 4.68 0.00 2.50 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 87 Y 8.31 4.84 0.00 2.86 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 88 H 9.56 4.96 0.00 3.02 3.33 0.00 5.62 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 89 R 7.84 4.72 0.00 1.78 1.80 0.00 3.24 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 90 V 8.45 3.69 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 0.76 0.00 0.00 0.94 0.00 0.00 91 A 8.64 4.66 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 92 T 8.28 4.39 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 1.19 0.00 0.00 93 P 0.00 3.29 0.00 1.27 0.49 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.08 0.00 94 G 7.13 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 95 D 8.01 4.78 0.00 2.59 2.74 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 96 L 8.43 5.14 0.00 1.62 1.56 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.98 5.25 0.00 1.74 1.80 0.00 3.07 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 98 A 8.96 5.16 1.30 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 99 E 9.57 5.02 0.00 1.90 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 2.27 2.27 0.00 100 G 9.42 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 9.09 5.01 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 102 V 8.48 4.15 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 0.95 0.00 0.00 0.94 0.00 0.00 103 I 9.20 4.35 1.69 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 0.88 0.58 0.89 0.00 0.00 104 H 8.11 4.94 0.00 3.24 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.86 4.93 0.00 2.93 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 0.00 106 G 8.27 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 0.00 107 K 8.41 4.00 0.00 1.67 1.75 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.36 7.81 108 R 7.51 4.40 0.00 1.14 0.97 0.00 3.01 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 109 F 7.90 5.52 0.00 2.95 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 0.00 110 A 9.06 5.36 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 0.00 111 T 9.38 5.29 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 1.31 0.00 0.00 112 A 9.13 5.32 1.38 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 0.00 113 H 9.20 5.64 0.00 3.10 3.19 0.00 5.58 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 0.00 114 A 9.10 5.29 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 0.00 115 R 9.02 4.87 0.00 1.76 1.84 0.00 3.12 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 116 V 9.00 4.84 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.98 0.00 0.00 117 L 9.32 5.26 0.00 1.57 1.51 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 118 D 9.28 4.29 0.00 2.89 2.54 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 0.00 0.00 0.00 *120 D 9.27 4.44 0.00 2.71 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.28 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 0.00 122 N 8.40 4.44 0.00 3.01 2.77 0.00 0.00 6.65 6.25 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 0.00 123 L 8.49 4.48 0.00 1.59 1.59 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.63 4.45 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 0.71 0.00 0.00 1.03 0.00 0.00 125 A 7.69 5.02 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 0.00 126 S 8.57 5.01 0.00 3.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.26 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 0.00 0.00 0.00 0.00 128 R 8.83 5.50 0.00 1.94 1.98 0.00 3.12 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 129 A 8.88 4.68 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 L 7.97 5.00 0.00 1.57 1.43 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 9.19 5.01 0.00 3.02 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 0.00 132 L 8.59 4.83 0.00 1.73 1.62 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 133 I 8.61 4.12 1.65 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 1.03 0.56 0.84 0.00 0.00 134 R 8.21 4.09 0.00 1.64 1.68 0.00 3.23 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.