NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1C H 4.6927 8.4449 117.3698 54.5283 30.3608 173.7827 1D H 4.4686 8.1544 112.5665 56.8222 29.0684 172.8949 1E H 5.1441 7.6365 115.7477 53.5039 33.3240 172.0797 1F H 4.6428 8.9063 116.8255 55.9326 28.9949 174.4078 1G F 4.8255 8.4281 119.5325 57.8267 39.8872 174.3024 2 N 4.6396 8.4678 117.4383 52.2498 38.8169 174.5493 3 L 4.7911 8.0882 123.3907 52.0911 44.0644 174.6465 4 P 4.6016 0.0000 0.0000 61.0415 32.5900 174.2338 5 P 4.2976 0.0000 0.0000 62.1005 31.7772 176.9274 6 G 3.4051 8.4989 112.6548 47.0681 0.0000 174.6602 7 N 4.9561 7.0405 119.9715 51.7213 38.4792 171.9040 8 Y 5.1294 7.3686 118.2454 58.8149 41.0174 178.8564 9 K 4.2149 8.3879 120.8361 56.6602 32.0116 182.5381 10 K 4.8059 7.6136 116.7509 53.1375 35.0792 174.0659 11 P 4.7677 0.0000 0.0000 63.2465 32.2511 175.1722 12 K 4.9610 9.4321 119.6564 55.1075 37.4637 174.8660 13 L 5.1867 9.1890 121.2513 53.6051 44.1726 176.3518 14 L 5.0600 8.8502 123.1057 53.4672 42.9322 173.8512 15 Y 4.8405 9.2287 126.1838 56.6199 40.5159 173.5378 16 C 3.9151 8.6634 128.4932 58.1725 32.1746 174.0151 17 S 3.7123 8.1273 122.1724 61.5180 62.0189 174.4168 18 N 3.7786 8.0857 115.4733 56.2797 38.8982 174.5325 19 G 3.8831 7.5678 105.3466 44.4998 0.0000 172.7456 20 G 3.4711 7.3698 105.6203 44.8337 0.0000 173.5307 21 H 4.8710 6.9864 114.1832 53.6392 33.0826 174.5187 22 F 5.3020 9.3607 121.0212 55.8614 40.3666 175.3980 23 L 4.5693 9.0634 126.2572 55.8001 43.2371 175.7627 24 R 5.1463 9.4560 125.1857 54.9549 34.1313 173.5532 25 I 4.9164 8.2235 126.6913 59.5694 39.2276 175.7216 26 L 4.1864 9.2172 128.0281 53.2183 42.4756 176.4298 27 P 4.1523 0.0000 0.0000 65.8916 31.2593 177.2320 28 D 4.5060 7.9807 114.4374 53.6794 39.7561 177.0258 29 G 4.5326 8.9120 109.9672 45.4458 0.0000 173.8888 30 T 4.4000 8.4029 117.6102 63.2499 69.1087 173.6455 31 V 4.9401 8.0198 124.2448 61.2615 34.6132 174.5444 32 D 4.5849 8.7455 125.3953 53.0358 42.8510 174.0922 33 G 4.5907 8.7785 105.0338 45.3335 0.0000 172.4014 34 T 4.9924 9.1075 115.7459 60.3987 71.0798 174.5929 35 R 4.1653 8.8641 124.3464 56.4396 30.9299 176.4271 36 D 4.6566 8.1972 119.5880 53.0150 40.0093 176.6151 37 R 3.5687 8.7064 127.4022 57.9624 30.2041 177.0363 38 S 4.4730 8.4524 111.1208 58.4047 63.6856 174.0291 39 D 4.3689 7.8547 121.5363 55.1707 41.2595 175.9628 40 Q 4.2388 8.4354 122.9073 56.6726 29.1486 175.8437 41 H 4.7998 9.4654 116.6557 55.4783 29.3525 174.5922 42 I 4.6912 7.1262 109.9303 60.0215 38.4612 174.9537 43 Q 4.5846 7.3607 122.8658 54.7992 30.5712 174.5741 44 F 5.3138 9.2318 122.2400 55.5808 43.6366 173.8172 45 Q 4.9137 9.4611 123.0098 54.5851 30.8710 174.3683 46 L 5.4086 8.7010 126.6051 53.6923 43.9665 176.1471 47 S 4.3827 8.4526 114.6770 56.8112 66.8915 172.5375 48 A 4.6481 7.8674 123.6558 51.1350 19.2554 177.0744 49 E 4.0220 9.0819 123.4437 58.4472 30.2091 176.9917 50 S 4.6633 7.3737 112.1910 56.0900 67.1969 173.3170 51 V 3.7329 8.3451 121.6990 64.7748 31.4519 176.4902 52 G 3.9179 9.1653 114.7156 45.3767 0.0000 171.7219 53 E 5.1294 8.3744 120.4389 54.6422 31.9203 175.6778 54 V 4.8840 9.1417 117.1233 59.8627 36.8035 173.8699 55 Y 5.4156 8.5424 119.1023 56.6024 41.1331 175.4779 56 I 4.4526 8.6126 123.1092 59.5858 40.0000 173.7799 57 K 4.7541 8.6305 129.0463 54.0904 34.7681 175.1209 58 S 4.3118 8.9230 123.4318 58.4067 62.6592 174.9373 59 T 3.8116 8.3430 118.6178 64.8109 68.7763 175.9493 60 E 3.9865 8.2210 122.3645 58.6785 29.8358 177.2142 61 T 4.2722 8.0026 106.3567 60.8966 70.1741 175.6347 62 G 3.8645 8.5676 110.0159 45.0563 0.0000 173.6549 63 Q 4.4430 7.5872 119.6391 56.1640 30.2111 174.7095 64 Y 4.9534 9.1934 120.8878 56.1857 40.1538 175.0511 65 L 4.3967 9.0762 126.5580 55.4284 43.4932 175.5898 66 A 5.0959 8.7194 126.0795 50.9660 23.3969 174.4041 67 M 5.4043 8.5938 118.9302 53.8324 34.9577 175.4897 68 D 5.2688 9.6444 126.7414 52.7555 40.9960 176.8779 69 T 4.0036 8.5832 112.8266 64.9574 67.2491 174.1285 70 D 4.7453 8.5079 118.6338 53.8586 41.2486 176.9616 71 G 3.3909 8.5366 107.9335 45.2302 0.0000 172.9436 72 L 4.6610 8.4288 120.8625 53.6660 43.1140 176.2182 73 V 4.7190 8.4503 124.1669 62.8332 32.6025 174.3633 74 Y 4.9333 9.2776 125.0784 55.9668 42.2702 173.4300 75 G 4.3315 8.8419 107.4734 44.8529 0.0000 173.1961 76 S 5.0459 9.0147 121.3092 56.8697 63.8306 175.3266 77 Q 4.2961 9.0849 126.0742 58.1472 28.9311 176.5070 78 T 4.6074 7.5013 105.8986 58.5139 71.5690 171.6046 79 P 3.5412 0.0000 0.0000 62.2302 32.0251 175.1802 80 N 4.9124 8.1052 120.2216 51.9165 40.7413 175.1949 81 E 4.0037 8.7497 112.7671 58.9570 29.9364 174.7289 82 E 4.2968 8.9171 116.1536 58.3256 29.7501 177.7797 83 C 4.9563 8.0199 115.4118 59.4621 29.1156 173.6349 84 L 4.6326 7.3845 120.4295 54.2065 42.6258 175.9906 85 F 5.2302 9.1660 121.7124 55.5762 43.3376 174.3474 86 L 4.8404 9.2451 123.3473 53.9007 42.6086 175.6397 87 E 4.5456 9.0594 127.2713 55.5236 30.1562 175.8109 88 R 4.8208 8.7041 125.6002 54.0617 34.8991 174.5978 89 L 4.7281 8.7218 123.5747 55.1797 43.1696 175.8103 90 E 4.6427 9.0316 124.6845 55.3421 33.7754 174.9140 91 E 3.9660 10.0491 124.5843 57.3954 27.8404 176.7319 92 N 4.4107 8.5276 113.5367 54.2726 37.1367 174.7340 93 H 4.7635 7.9542 111.1614 55.1550 31.3639 172.8184 94 Y 4.7498 8.1861 117.1657 56.7221 40.8195 174.0364 95 N 5.5346 9.7184 117.9912 51.9267 41.3390 174.5549 96 T 5.2066 8.9228 112.5223 60.1255 72.8344 172.6647 97 Y 5.0233 8.6660 119.7301 56.6015 41.2140 174.2022 98 I 4.4966 8.5903 126.2629 59.3547 39.2740 175.5413 99 S 3.7383 8.8616 122.7921 58.4374 62.4498 173.8485 100 K 3.9341 8.8531 129.7179 59.4215 32.2659 178.5836 101 K 3.7335 7.9355 118.0361 59.1834 32.2081 176.8484 102 H 5.2850 8.2632 113.8616 54.4138 29.2998 176.2454 103 A 3.8631 7.6056 126.0574 55.2332 18.4458 180.8329 104 E 3.4377 7.8725 112.9965 58.3314 29.7669 178.1628 105 K 4.1518 7.5605 117.1782 55.2904 32.9325 175.7092 106 N 3.9045 7.5036 115.7092 53.9637 36.3643 174.5650 107 W 5.1652 7.5476 117.5923 55.7423 31.2259 177.5501 108 F 5.4864 9.3103 123.6211 55.2905 41.6070 174.8665 109 L 4.4263 9.1909 123.1195 55.2230 43.1569 175.8548 110 G 4.3821 8.4825 110.0779 45.4184 0.0000 171.6592 111 L 5.2859 8.2514 122.3197 52.4275 44.5106 177.1683 112 K 4.2460 8.9476 123.5395 55.4874 32.9053 178.3138 113 K 3.9681 8.4113 119.3313 59.3216 31.9093 178.0198 114 N 4.5131 8.0364 113.8137 52.9781 37.8133 175.8584 115 G 3.5403 8.2410 108.9946 44.9179 0.0000 173.0746 116 S 4.8402 7.9553 115.1741 57.1453 64.9423 173.8685 117 C 4.7713 8.5774 119.9503 59.9993 28.6777 173.4065 118 K 4.4061 8.6988 121.9505 55.4203 33.3659 176.6965 119 R 4.1995 8.5650 122.7246 55.6883 31.1831 177.5408 120 G 3.1545 8.3457 114.8138 48.2340 0.0000 174.2512 121 P 4.3159 0.0000 0.0000 63.9006 31.4832 177.6697 122 R 4.2010 7.8866 116.6889 56.9297 30.4290 176.5200 123 T 5.0877 7.4716 107.9786 59.9896 70.6804 173.5127 124 H 4.7126 7.8556 114.8711 54.9706 30.4865 173.1945 125 Y 3.9320 8.6781 118.6680 59.8859 38.1320 177.1166 126 G 4.0460 9.0365 111.4527 45.3999 0.0000 173.8992 127 Q 4.2750 7.4501 118.8867 55.1543 29.9313 177.0687 128 K 3.8841 8.2926 118.8770 58.5154 32.8328 179.4160 129 A 3.9160 7.7765 121.8044 54.4981 18.3610 178.5098 130 I 4.3756 7.1856 106.1692 60.6280 38.5832 175.3394 131 L 4.3556 7.2687 123.1365 53.9341 42.6935 175.7227 132 F 5.3580 9.3295 122.5728 55.4702 43.2076 174.1759 133 L 5.2140 9.2503 124.2708 52.5962 44.4728 173.6530 134 P 5.1780 0.0000 0.0000 62.9115 31.9993 175.7249 135 L 4.9208 9.1630 124.9036 51.9323 44.9664 174.4020 136 P 4.6364 0.0000 0.0000 62.4617 32.2767 176.9272 137 V 3.7339 8.2239 121.2884 63.2300 31.5218 175.7962 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 *1C H 8.44 4.69 0.00 2.95 3.06 0.00 7.16 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.15 4.47 0.00 3.04 3.30 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.64 5.14 0.00 3.20 3.36 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.91 4.64 0.00 3.33 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.43 4.83 0.00 2.88 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 2 N 8.47 4.64 0.00 2.94 2.78 0.00 0.00 6.87 6.74 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 3 L 8.09 4.79 0.00 1.48 1.42 0.62 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.60 0.00 2.15 2.17 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 5 P 0.00 4.30 0.00 2.01 1.99 0.00 3.67 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 2.00 2.06 0.00 6 G 8.50 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.04 4.96 0.00 2.69 2.58 0.00 0.00 6.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.37 5.13 0.00 2.99 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.39 4.21 0.00 1.77 1.73 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.03 7.81 10 K 7.61 4.81 0.00 1.72 1.73 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 11 P 0.00 4.77 0.00 2.07 2.05 0.00 3.72 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 1.98 1.99 0.00 12 K 9.43 4.96 0.00 1.70 1.90 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.63 7.81 13 L 9.19 5.19 0.00 1.76 1.79 0.63 0.72 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 14 L 8.85 5.06 0.00 1.42 1.45 0.12 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.23 4.84 0.00 3.30 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 16 C 8.66 3.92 0.00 2.56 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 17 S 8.13 3.71 0.00 3.78 3.49 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 18 N 8.09 3.78 0.00 2.60 2.64 0.00 0.00 6.72 7.98 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 19 G 7.57 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 20 G 7.37 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 0.00 0.00 0.00 21 H 6.99 4.87 0.00 2.97 3.21 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 22 F 9.36 5.30 0.00 3.02 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 23 L 9.06 4.57 0.00 1.77 1.51 0.88 -0.09 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 24 R 9.46 5.15 0.00 1.99 2.06 0.00 3.16 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 25 I 8.22 4.92 1.96 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 1.33 1.13 1.00 0.00 0.00 26 L 9.22 4.19 0.00 1.77 1.52 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.15 0.00 2.00 2.11 0.00 3.53 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 28 D 7.98 4.51 0.00 2.77 2.77 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 29 G 8.91 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 30 T 8.40 4.40 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 1.23 0.00 0.00 31 V 8.02 4.94 2.12 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 0.91 0.00 0.00 0.96 0.00 0.00 32 D 8.75 4.58 0.00 2.89 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 33 G 8.78 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.11 4.99 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 1.39 0.00 0.00 35 R 8.86 4.17 0.00 1.87 1.96 0.00 3.20 0.00 0.00 3.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 36 D 8.20 4.66 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.71 3.57 0.00 1.94 1.91 0.00 3.44 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.72 0.00 38 S 8.45 4.47 0.00 3.95 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 39 D 7.85 4.37 0.00 2.78 2.64 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 40 Q 8.44 4.24 0.00 1.83 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.17 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 41 H 9.47 4.80 0.00 3.27 3.40 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.13 4.69 1.96 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.09 1.09 0.00 0.00 43 Q 7.36 4.58 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 44 F 9.23 5.31 0.00 2.96 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 45 Q 9.46 4.91 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 46 L 8.70 5.41 0.00 1.84 1.74 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.45 4.38 0.00 3.79 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 48 A 7.87 4.65 1.06 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 49 E 9.08 4.02 0.00 1.62 1.80 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 1.60 1.47 0.00 50 S 7.37 4.66 0.00 3.81 3.69 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 0.00 0.00 0.00 51 V 8.35 3.73 2.29 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 0.94 0.00 0.00 1.02 0.00 0.00 52 G 9.17 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 0.00 0.00 0.00 53 E 8.37 5.13 0.00 2.11 1.75 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 2.22 2.27 0.00 54 V 9.14 4.88 2.12 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 0.73 0.00 0.00 1.15 0.00 0.00 55 Y 8.54 5.42 0.00 3.00 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 56 I 8.61 4.45 1.57 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.51 0.35 0.00 0.00 57 K 8.63 4.75 0.00 1.24 1.53 0.00 1.25 0.00 0.00 1.08 0.00 0.00 2.71 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.01 0.58 7.81 58 S 8.92 4.31 0.00 3.79 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 59 T 8.34 3.81 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 1.13 0.00 0.00 60 E 8.22 3.99 0.00 1.91 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 2.23 2.35 0.00 61 T 8.00 4.27 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 1.21 0.00 0.00 62 G 8.57 3.86 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 0.00 0.00 0.00 63 Q 7.59 4.44 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 64 Y 9.19 4.95 0.00 2.79 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 65 L 9.08 4.40 0.00 1.51 1.38 0.73 0.01 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 66 A 8.72 5.10 0.57 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 0.00 0.00 67 M 8.59 5.40 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.68 0.00 68 D 9.64 5.27 0.00 2.93 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 69 T 8.58 4.00 4.32 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 1.27 0.00 0.00 70 D 8.51 4.75 0.00 2.71 2.65 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 71 G 8.54 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.43 4.66 0.00 2.00 1.65 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.45 4.72 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 0.83 0.00 0.00 1.01 0.00 0.00 74 Y 9.28 4.93 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.84 4.33 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 0.00 76 S 9.01 5.05 0.00 3.89 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 77 Q 9.08 4.30 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 78 T 7.50 4.61 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 1.20 0.00 0.00 79 P 0.00 3.54 0.00 1.43 0.49 0.00 3.45 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.26 0.00 80 N 8.11 4.91 0.00 2.90 2.90 0.00 0.00 6.38 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 81 E 8.75 4.00 0.00 1.91 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 2.32 1.91 0.00 82 E 8.92 4.30 0.00 2.29 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 0.00 2.40 2.34 0.00 83 C 8.02 4.96 0.00 3.16 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.38 4.63 0.00 1.58 1.47 0.83 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 85 F 9.17 5.23 0.00 3.14 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.25 4.84 0.00 1.54 1.63 0.89 1.02 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 87 E 9.06 4.55 0.00 2.17 1.95 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 2.20 2.12 0.00 88 R 8.70 4.82 0.00 1.78 1.81 0.00 3.11 0.00 0.00 2.88 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 89 L 8.72 4.73 0.00 1.51 1.66 1.00 0.84 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 90 E 9.03 4.64 0.00 2.21 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 91 E 10.05 3.97 0.00 2.42 2.11 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 2.28 2.31 0.00 92 N 8.53 4.41 0.00 2.51 2.72 0.00 0.00 6.89 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 93 H 7.95 4.76 0.00 2.73 2.99 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.19 4.75 0.00 3.05 3.04 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 0.00 0.00 0.00 95 N 9.72 5.53 0.00 3.00 2.50 0.00 0.00 6.96 7.35 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 96 T 8.92 5.21 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 97 Y 8.67 5.02 0.00 2.74 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 98 I 8.59 4.50 1.70 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 -0.24 0.66 0.62 0.00 0.00 99 S 8.86 3.74 0.00 3.91 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 0.00 100 K 8.85 3.93 0.00 1.70 1.69 0.00 1.70 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.32 7.81 101 K 7.94 3.73 0.00 1.59 1.60 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.93 1.14 7.81 102 H 8.26 5.29 0.00 3.01 2.09 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.61 3.86 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 0.00 104 E 7.87 3.44 0.00 1.92 1.87 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 2.13 2.13 0.00 105 K 7.56 4.15 0.00 0.93 1.55 0.00 1.56 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.02 7.81 106 N 7.50 3.90 0.00 3.02 3.02 0.00 0.00 6.88 7.84 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 0.00 107 W 7.55 5.17 0.00 3.26 3.07 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 0.00 108 F 9.31 5.49 0.00 2.85 3.04 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 0.00 0.00 0.00 109 L 9.19 4.43 0.00 1.61 1.56 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.48 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 0.00 111 L 8.25 5.29 0.00 1.40 1.47 1.00 0.99 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 0.00 112 K 8.95 4.25 0.00 1.92 1.69 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.49 7.81 113 K 8.41 3.97 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.37 7.81 114 N 8.04 4.51 0.00 2.79 2.90 0.00 0.00 6.24 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 0.00 115 G 8.24 3.54 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 0.00 116 S 7.96 4.84 0.00 3.90 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 0.00 117 C 8.58 4.77 0.00 2.89 2.92 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 0.00 118 K 8.70 4.41 0.00 1.71 1.68 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.33 7.81 119 R 8.57 4.20 0.00 1.73 1.62 0.00 3.23 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.48 0.00 120 G 8.35 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 0.00 0.00 0.00 121 P 0.00 4.32 0.00 1.96 2.22 0.00 2.92 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 1.74 1.88 0.00 122 R 7.89 4.20 0.00 1.80 1.92 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 123 T 7.47 5.09 4.32 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 1.37 0.00 0.00 124 H 7.86 4.71 0.00 3.37 3.51 0.00 5.47 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 0.00 125 Y 8.68 3.93 0.00 3.14 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 0.00 126 G 9.04 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 0.00 127 Q 7.45 4.28 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 128 K 8.29 3.88 0.00 1.65 1.65 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.25 7.81 129 A 7.78 3.92 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 0.00 130 I 7.19 4.38 1.67 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 0.56 0.00 0.00 131 L 7.27 4.36 0.00 0.95 0.57 0.49 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.33 5.36 0.00 3.43 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 9.25 5.21 0.00 2.10 1.79 0.88 1.17 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 0.00 134 P 0.00 5.18 0.00 2.21 2.20 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 135 L 9.16 4.92 0.00 1.68 1.65 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.64 0.00 1.95 1.98 0.00 3.95 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 2.03 1.97 0.00 137 V 8.22 3.73 2.06 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 0.69 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.