NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.7055 8.2227 119.5635 53.5051 42.9755 176.9982 7 Y 4.3413 8.1721 119.3204 59.7963 39.8140 174.8269 8 E 2.5400 9.0939 120.8074 58.4746 30.4633 176.3846 9 D 4.6182 7.6339 115.8569 53.6277 40.9474 176.2308 10 A 3.8197 7.4687 122.6036 52.7371 18.6736 177.8219 11 V 4.0536 7.8007 121.1296 60.7974 33.3152 174.8548 12 F 4.8118 8.2778 124.9600 56.0451 40.9137 175.0039 13 Y 4.2401 9.8761 122.9628 58.6055 38.8101 176.5113 14 F 4.9180 9.0508 117.5077 57.0280 40.1074 177.9005 15 V 2.0000 7.5151 121.0456 63.3581 31.1445 177.0520 16 D 4.5940 7.5366 117.3586 53.8451 41.5200 175.9205 17 D 4.6392 7.8263 120.5551 54.5217 41.8217 176.6142 18 D 5.0671 8.6414 119.7309 54.3315 42.1368 175.8487 19 K 4.5981 7.6002 116.0832 56.0850 35.5515 174.9482 20 I 4.7611 8.1092 120.1070 59.7396 40.8996 174.9806 21 C 5.2322 8.3633 122.4661 57.0840 29.7500 174.2143 22 S 4.5799 8.0635 115.9511 57.6594 65.8296 174.9585 23 R 3.9007 8.9504 126.6422 59.5144 29.8046 177.6576 24 D 4.5976 8.0717 114.3087 54.9422 39.7085 177.1069 25 S 4.7079 7.9018 115.9642 59.0756 63.4746 176.0193 26 I 3.6028 7.6026 123.7185 64.2422 36.7490 178.2287 27 I 3.6653 7.6536 120.1214 64.4535 37.0171 177.8000 28 D 4.4424 8.1595 119.2073 57.4038 40.6291 178.5563 29 L 3.3008 7.7444 120.5645 58.1127 42.0112 179.1503 30 I 3.7463 7.7613 119.6526 64.2703 37.0195 177.7946 31 D 4.3941 8.4060 119.2481 57.5794 41.0293 178.1224 32 E 4.2269 8.5384 119.7496 59.4300 29.7099 178.0742 33 Y 3.8770 8.5524 120.0916 60.7937 38.8405 178.1427 34 I 3.5495 8.0395 120.7148 64.4890 37.0674 178.6232 35 T 4.1553 8.1730 116.8214 66.4662 68.2869 176.4925 36 W 4.0065 8.8121 130.7720 60.5663 30.4724 178.2342 37 R 3.5931 7.7822 117.0247 58.7146 29.5540 178.4404 38 N 4.6277 7.7248 116.5580 57.0080 39.1589 176.4235 39 H 4.1873 8.7433 120.2707 59.3407 29.9474 177.5695 40 V 3.3607 7.6687 121.2234 64.3867 30.9033 178.3955 41 I 3.5893 7.2714 119.7990 63.6238 37.1235 178.0227 42 V 3.2520 7.5908 118.4986 65.2583 31.3010 176.5726 43 F 4.6057 7.7908 115.0679 56.1201 39.4711 175.0505 44 N 3.9670 7.3668 117.5653 54.4457 37.3794 173.4835 45 K 4.3597 7.8433 116.6178 55.1377 34.2662 176.5120 46 D 4.5900 8.3498 119.7909 53.3671 41.2941 176.9107 47 I 3.8893 8.3914 127.4435 63.4364 38.2181 176.3219 48 T 4.3253 8.5751 109.2256 62.8000 69.4490 175.6281 49 S 4.5358 7.9140 119.6320 56.2002 60.6524 171.9178 50 C 4.4946 7.5155 116.8694 56.7420 32.6990 174.5849 51 G 3.9464 8.2751 110.2899 44.3168 0.0000 174.7923 52 R 3.9562 8.7994 117.4502 58.5987 29.8001 179.2309 53 L 3.8496 7.8211 120.6390 58.4351 41.9541 178.5874 54 Y 3.8525 7.8525 114.7225 60.9519 37.8774 178.1753 55 K 4.0842 7.9158 118.5280 59.3944 32.1686 178.6685 56 E 3.9499 7.8833 118.8101 58.7913 30.0089 180.0651 57 L 2.8245 7.1305 119.9959 53.9017 41.4499 179.1282 *59 K 4.3358 8.1395 119.4587 56.4580 34.3138 178.1212 60 F 4.7268 7.8873 117.0880 59.5230 38.5936 177.0511 61 D 4.4955 8.2297 119.2033 57.5953 40.6386 178.1741 62 D 4.4548 8.1636 119.3636 57.1432 40.8273 178.9064 63 V 3.6143 7.9056 118.2218 65.9299 31.4913 177.7423 64 A 4.1772 8.2672 120.4305 55.3672 18.2211 179.6144 65 I 3.7614 7.8971 118.3005 64.7462 36.9764 178.9043 66 R 3.9429 8.0844 117.8351 59.2626 29.9301 178.3278 67 Y 4.0361 7.8783 118.3194 60.7307 38.9814 176.4960 68 Y 4.3321 8.3355 115.9079 56.9896 39.1868 177.1463 69 G 4.2041 8.0289 104.5224 45.9197 0.0000 174.2666 70 I 3.7272 8.1915 119.6895 63.9604 37.9950 178.1104 71 D 4.3612 8.0648 119.4129 57.3269 40.6047 178.7623 72 K 4.0039 8.0064 118.5394 59.1320 32.0770 179.2265 73 I 3.5222 7.8852 120.2385 64.6087 37.0075 178.1394 74 N 4.2072 8.4297 117.4932 56.2295 38.2302 177.1109 75 E 3.8548 8.3076 120.7867 59.1884 29.4916 179.0004 76 I 3.5446 7.6532 119.1034 64.2411 37.2458 178.1317 77 V 3.4747 7.5004 117.8638 65.9510 31.3640 177.1840 78 E 4.0327 8.0009 117.4452 59.1128 29.4948 179.8497 79 A 4.0391 7.6962 118.0392 52.3644 18.4145 178.3159 *81 S 4.6818 8.0078 116.7887 60.2036 63.9568 174.5751 82 E 4.2107 8.3269 115.8946 56.8676 29.4648 177.3018 83 G 3.9949 8.5444 106.7707 46.1942 0.0000 174.0171 84 D 4.6367 8.0940 117.7649 54.4334 41.6351 176.1833 85 H 4.8260 7.9019 115.3839 53.9980 32.2693 172.1864 86 Y 5.0606 8.1823 119.6424 56.6549 40.0210 175.3065 87 I 3.8538 8.1214 123.4841 60.8855 37.8844 176.1990 88 N 4.5278 8.5787 125.4229 53.1326 38.4677 175.1748 89 F 4.7279 8.5379 124.8105 59.2122 39.6509 177.9312 90 T 4.1137 7.9812 112.4982 64.1927 68.6707 176.4891 *91 K 4.1044 7.6461 122.6803 56.7274 31.9532 183.1728 92 V 3.8101 7.5885 117.6767 63.8746 31.6162 175.1773 93 H 4.8697 8.2294 120.3834 54.1741 29.8516 172.5561 94 D 4.3077 7.0283 119.2718 51.7183 42.6443 175.9825 95 Q 3.2244 7.9476 119.2840 59.0195 28.8344 177.5056 96 E 3.4752 7.5936 119.9507 59.1834 29.7788 178.7962 97 S 3.0701 8.0697 114.4110 60.6627 62.9111 176.0525 98 L 3.7573 7.5371 123.9649 58.1535 41.7876 179.0502 99 F 3.6027 7.6435 117.4902 60.2439 38.5395 177.6114 100 A 3.9471 7.8921 120.7421 55.4063 18.0679 179.8830 101 T 3.9838 7.9142 114.2917 66.7489 68.5183 177.0024 102 I 3.8828 8.0637 122.0690 64.4417 37.0888 178.6522 103 G 3.8275 8.4475 106.6118 47.9510 0.0000 175.7735 104 I 3.7189 8.2407 122.4099 64.2907 37.1262 178.1763 105 C 4.1254 8.3830 117.3817 62.9011 27.9355 176.1034 106 A 3.9665 8.2353 122.1927 55.0399 17.9021 179.4708 107 K 3.7806 8.3335 118.3714 59.6983 32.2171 179.1343 108 I 3.2752 7.7750 120.2567 64.4607 36.9617 178.6077 109 T 4.2257 7.9187 110.5010 64.4415 68.5820 176.3812 110 E 4.0897 8.4111 122.7022 59.3994 29.1633 178.0095 111 H 4.0123 8.3495 118.6033 59.2661 29.7622 177.1151 112 W 4.5716 8.1297 120.6466 59.7783 28.7946 178.5387 113 G 3.7594 8.5057 105.8272 48.3597 0.0000 175.3162 114 Y 3.8046 8.3379 117.9385 59.9795 37.9150 177.8561 115 K 4.2990 7.5721 116.2599 55.3492 32.5535 176.6921 116 K 3.7778 7.9108 117.8590 57.3636 30.1222 175.0951 117 I 4.3727 7.8477 119.1509 59.7823 38.5764 174.4175 118 S 4.4455 7.5518 116.7519 58.7768 67.0097 175.5439 119 E 2.0000 7.8680 118.9064 58.1505 29.9455 179.8197 120 S 4.0025 7.5389 112.7833 60.5911 62.9102 175.0425 121 R 4.1111 7.2156 117.4065 55.2659 30.3988 175.9736 122 F 4.5641 7.2616 116.7284 58.9918 39.2463 174.7222 123 Q 3.7256 8.7808 119.8482 57.3292 25.8392 174.7702 124 S 4.9106 8.2693 113.0513 59.1025 64.7851 175.2699 125 L 4.1897 8.0989 121.4448 57.2892 41.6677 175.6137 126 G 3.3587 7.6991 102.1365 43.2998 0.0000 172.2082 127 N 4.6304 8.6115 117.0382 52.1751 38.8314 176.5872 128 I 3.6165 8.3900 124.0963 63.8833 38.4637 177.9568 129 T 3.9531 7.8177 116.1391 66.3404 68.5116 175.3750 130 D 4.5289 7.8005 120.2138 56.6219 41.0344 176.4025 131 L 4.1305 7.1254 120.3079 55.4915 41.9644 176.6821 *133 T 4.1600 7.6604 106.8087 60.7643 71.0613 173.3850 134 D 4.3794 8.4865 120.7989 57.8809 40.7901 179.0005 135 D 4.3632 8.0269 118.6109 57.5359 40.8233 178.5049 136 N 4.3622 8.1944 116.9883 56.1454 38.4511 177.5054 137 I 3.7057 8.1335 121.7419 64.5990 37.2278 178.2567 138 N 4.3735 8.2397 117.2311 56.1276 38.3393 177.4074 139 I 3.7120 7.8539 121.3073 64.4581 37.2504 178.1903 140 L 4.2943 8.2188 121.0377 58.4122 41.9254 178.8751 141 I 3.8749 8.1257 118.7319 63.9419 37.8450 177.9058 142 L 4.0515 8.1842 120.1588 57.4863 41.4694 179.1354 143 F 4.2199 8.4657 120.6809 61.4342 39.4251 177.1796 144 L 3.8221 8.5808 119.0107 57.7134 41.2957 179.3570 145 E 3.8952 8.5101 118.8795 59.3143 29.2146 179.2330 146 K 3.8394 7.8518 118.3057 59.6144 32.2867 178.6483 147 K 3.9767 7.6208 117.5041 58.2334 32.0608 178.3202 148 L 4.4968 7.5622 116.2891 54.2414 42.4704 176.2566 149 N 4.4557 8.0446 121.9000 53.6499 38.4820 174.6289 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 6 D 8.22 4.71 0.00 2.62 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 7 Y 8.17 4.34 0.00 3.25 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 8 E 9.09 2.54 0.00 1.45 1.70 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 1.89 1.47 0.00 9 D 7.63 4.62 0.00 2.80 2.60 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 0.00 0.00 0.00 0.00 10 A 7.47 3.82 0.97 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 11 V 7.80 4.05 1.81 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 0.12 0.00 0.00 0.79 0.00 0.00 12 F 8.28 4.81 0.00 3.06 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 13 Y 9.88 4.24 0.00 2.65 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 14 F 9.05 4.92 0.00 3.42 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 15 V 7.52 2.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.20 0.00 0.00 16 D 7.54 4.59 0.00 2.56 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 17 D 7.83 4.64 0.00 2.79 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 18 D 8.64 5.07 0.00 2.51 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 19 K 7.60 4.60 0.00 1.70 1.71 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.43 7.81 20 I 8.11 4.76 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.01 0.88 0.00 0.00 21 C 8.36 5.23 0.00 3.12 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 22 S 8.06 4.58 0.00 3.90 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 23 R 8.95 3.90 0.00 1.85 1.95 0.00 3.48 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 24 D 8.07 4.60 0.00 2.82 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 25 S 7.90 4.71 0.00 4.16 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.60 3.60 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.86 0.89 0.00 0.00 27 I 7.65 3.67 1.87 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 1.62 0.71 0.91 0.00 0.00 28 D 8.16 4.44 0.00 3.01 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 29 L 7.74 3.30 0.00 0.60 1.46 0.70 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.76 3.75 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.86 0.95 0.00 0.00 31 D 8.41 4.39 0.00 2.91 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 32 E 8.54 4.23 0.00 2.45 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 3.05 2.81 0.00 33 Y 8.55 3.88 0.00 2.63 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 34 I 8.04 3.55 1.96 0.00 0.00 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 1.87 1.05 1.01 0.00 0.00 35 T 8.17 4.16 4.77 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 1.73 0.00 0.00 36 W 8.81 4.01 0.00 3.26 3.27 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 37 R 7.78 3.59 0.00 1.83 1.87 0.00 3.40 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.40 0.00 38 N 7.72 4.63 0.00 3.22 3.28 0.00 0.00 6.70 7.77 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 39 H 8.74 4.19 0.00 3.53 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.67 3.36 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 0.00 0.00 0.01 0.00 0.00 0.49 0.00 0.00 41 I 7.27 3.59 1.83 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.35 0.45 0.00 0.00 42 V 7.59 3.25 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.98 0.00 0.00 43 F 7.79 4.61 0.00 2.93 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 44 N 7.37 3.97 0.00 2.71 2.79 0.00 0.00 7.06 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 45 K 7.84 4.36 0.00 1.75 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.62 7.81 46 D 8.35 4.59 0.00 2.71 2.61 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 0.00 47 I 8.39 3.89 1.80 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.03 0.96 0.00 0.00 48 T 8.58 4.33 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 1.26 0.00 0.00 49 S 7.91 4.54 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 50 C 7.52 4.49 0.00 2.71 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 51 G 8.28 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 52 R 8.80 3.96 0.00 1.81 1.94 0.00 3.10 0.00 0.00 3.06 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 53 L 7.82 3.85 0.00 1.76 1.80 0.83 1.02 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 54 Y 7.85 3.85 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.92 4.08 0.00 1.83 1.87 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.65 7.81 56 E 7.88 3.95 0.00 1.95 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 2.13 2.22 0.00 57 L 7.13 2.82 0.00 0.68 0.19 0.18 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *59 K 8.14 4.34 0.00 1.97 1.97 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.64 7.81 60 F 7.89 4.73 0.00 3.14 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.23 4.50 0.00 2.85 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 62 D 8.16 4.45 0.00 2.97 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 63 V 7.91 3.61 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 1.00 0.00 0.00 1.07 0.00 0.00 64 A 8.27 4.18 1.61 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 0.00 0.00 0.00 65 I 7.90 3.76 1.94 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 1.93 0.90 0.96 0.00 0.00 66 R 8.08 3.94 0.00 1.98 2.04 0.00 3.19 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 67 Y 7.88 4.04 0.00 2.84 2.82 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 68 Y 8.34 4.33 0.00 3.20 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 69 G 8.03 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.19 3.73 1.89 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 1.63 1.42 0.92 0.00 0.00 71 D 8.06 4.36 0.00 2.73 2.69 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 72 K 8.01 4.00 0.00 2.00 1.89 0.00 1.72 0.00 0.00 1.98 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.53 7.81 73 I 7.89 3.52 2.03 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 1.51 0.91 0.85 0.00 0.00 74 N 8.43 4.21 0.00 2.80 2.81 0.00 0.00 6.73 7.23 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 75 E 8.31 3.85 0.00 2.06 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 2.25 2.30 0.00 76 I 7.65 3.54 1.80 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 0.73 0.00 0.00 77 V 7.50 3.47 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 0.30 0.00 0.00 0.79 0.00 0.00 78 E 8.00 4.03 0.00 1.90 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 2.29 2.35 0.00 79 A 7.70 4.04 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 *81 S 8.01 4.68 0.00 4.02 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 82 E 8.33 4.21 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 83 G 8.54 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 84 D 8.09 4.64 0.00 2.73 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 85 H 7.90 4.83 0.00 3.09 3.18 0.00 5.88 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 86 Y 8.18 5.06 0.00 2.80 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.12 3.85 0.87 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 1.02 0.39 0.72 0.00 0.00 88 N 8.58 4.53 0.00 2.84 2.72 0.00 0.00 7.23 7.71 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 89 F 8.54 4.73 0.00 3.16 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 90 T 7.98 4.11 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 1.27 0.00 0.00 *91 K 7.65 4.10 0.00 1.83 1.77 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.25 7.81 92 V 7.59 3.81 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 0.85 0.00 0.00 1.03 0.00 0.00 93 H 8.23 4.87 0.00 3.27 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.03 4.31 0.00 2.70 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 95 Q 7.95 3.22 0.00 1.75 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.94 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.00 96 E 7.59 3.48 0.00 1.88 1.74 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 2.17 2.26 0.00 97 S 8.07 3.07 0.00 3.81 3.79 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 98 L 7.54 3.76 0.00 1.63 1.44 0.86 0.84 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 99 F 7.64 3.60 0.00 2.37 1.65 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 0.00 100 A 7.89 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.91 3.98 4.42 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 1.47 0.00 0.00 102 I 8.06 3.88 2.12 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 1.49 0.87 1.17 0.00 0.00 103 G 8.45 3.83 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 0.00 0.00 0.00 104 I 8.24 3.72 2.12 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.85 0.00 0.00 105 C 8.38 4.13 0.00 3.24 3.09 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 0.00 106 A 8.24 3.97 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 0.00 107 K 8.33 3.78 0.00 1.95 1.90 0.00 1.47 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.41 7.81 108 I 7.78 3.28 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 -0.24 0.00 0.00 109 T 7.92 4.23 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 1.48 0.00 0.00 110 E 8.41 4.09 0.00 2.10 2.19 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 2.34 2.51 0.00 111 H 8.35 4.01 0.00 3.12 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.13 4.57 0.00 3.76 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.51 3.76 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 0.00 0.00 0.00 114 Y 8.34 3.80 0.00 3.01 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 0.00 115 K 7.57 4.30 0.00 1.95 1.87 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.59 7.81 116 K 7.91 3.78 0.00 1.83 1.79 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.45 7.81 117 I 7.85 4.37 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.57 0.00 0.00 118 S 7.55 4.45 0.00 3.65 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 0.00 119 E 7.87 2.00 0.00 1.67 1.62 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 1.77 1.97 0.00 120 S 7.54 4.00 0.00 3.57 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 7.22 4.11 0.00 0.67 0.66 0.00 2.73 0.00 0.00 2.79 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 122 F 7.26 4.56 0.00 3.00 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 0.00 123 Q 8.78 3.73 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 124 S 8.27 4.91 0.00 4.16 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.10 4.19 0.00 1.96 2.07 1.12 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 126 G 7.70 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 0.00 0.00 0.00 127 N 8.61 4.63 0.00 2.99 2.79 0.00 0.00 6.47 7.11 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 0.00 128 I 8.39 3.62 1.86 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 1.33 1.23 0.90 0.00 0.00 129 T 7.82 3.95 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 1.22 0.00 0.00 130 D 7.80 4.53 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 0.00 131 L 7.13 4.13 0.00 0.36 1.35 0.71 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 *133 T 7.66 4.16 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 1.26 0.00 0.00 134 D 8.49 4.38 0.00 2.71 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 0.00 135 D 8.03 4.36 0.00 2.67 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 0.00 136 N 8.19 4.36 0.00 2.97 2.82 0.00 0.00 7.04 7.40 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 0.00 137 I 8.13 3.71 2.02 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 1.52 0.70 0.92 0.00 0.00 138 N 8.24 4.37 0.00 2.89 2.88 0.00 0.00 7.05 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.85 3.71 1.99 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.67 0.74 0.00 0.00 140 L 8.22 4.29 0.00 1.93 1.88 1.05 1.08 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 0.00 141 I 8.13 3.87 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 1.54 1.33 1.03 0.00 0.00 142 L 8.18 4.05 0.00 1.88 1.76 0.95 0.79 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 0.00 143 F 8.47 4.22 0.00 3.49 3.55 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 0.00 0.00 0.00 0.00 144 L 8.58 3.82 0.00 1.69 1.64 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.51 3.90 0.00 2.16 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 2.32 2.41 0.00 146 K 7.85 3.84 0.00 1.71 2.03 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.44 7.81 147 K 7.62 3.98 0.00 1.40 1.60 0.00 1.56 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.58 0.79 7.81 148 L 7.56 4.50 0.00 1.60 1.76 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.04 4.46 0.00 2.69 2.72 0.00 0.00 6.78 6.97 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 * Residues marked with a * may have inaccurate shift predictions.