NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4321 8.1927 115.4293 57.7745 65.0122 175.1292 5 R 3.5483 7.3304 119.2078 57.5059 30.8368 176.6562 6 R 3.8272 8.9547 121.1010 59.3968 31.7074 177.6957 7 L 4.3420 7.7874 116.4627 56.4709 41.2950 178.3934 8 M 4.3538 7.9537 120.9465 57.3096 31.6021 178.2037 9 K 4.1179 7.9270 120.9630 60.4141 32.8378 178.8238 10 E 4.1670 7.9330 118.3796 59.0842 29.3814 179.0041 11 L 3.9794 7.7228 119.9301 58.1289 42.1184 178.6358 12 E 4.1897 8.7744 117.9047 58.6262 29.5583 177.1338 13 E 4.6459 7.8179 116.3286 56.1353 30.7617 183.2246 14 I 4.0660 7.7283 118.8877 64.7435 38.3701 178.6563 15 R 4.0066 8.1200 119.6591 58.0923 29.2181 180.0757 16 K 4.2249 7.9062 121.2429 56.7084 29.5108 182.4038 17 C 3.8927 8.1567 123.1762 57.2910 27.0248 173.4557 18 G 3.9389 8.2644 106.7631 44.9768 0.0000 173.8432 19 M 4.1592 8.5028 127.0264 55.3912 31.5807 176.2800 20 K 4.3854 8.5325 120.4573 54.7612 33.0783 171.6282 21 N 4.3645 10.2774 124.0228 52.0188 34.3239 175.8024 22 F 5.9437 7.6399 116.3946 59.0940 41.4859 173.0921 23 R 4.5235 8.1084 127.2486 55.0156 32.4545 174.8460 24 N 4.5091 6.9954 120.2590 53.5682 39.8112 172.9307 25 I 3.7634 7.5364 120.6543 60.6562 40.9779 173.2825 26 Q 4.3825 7.6509 122.3440 55.2144 27.6758 177.2376 27 V 3.8334 8.5051 124.3415 64.4196 31.4666 177.4114 28 D 4.2778 7.8253 121.4722 55.6441 39.9219 174.0395 29 E 3.6894 8.2328 124.1266 55.4535 27.4078 176.1160 30 A 4.4316 8.3172 135.0000 52.8196 19.1361 178.4919 31 N 4.7684 8.3726 126.5937 49.1321 38.1755 177.2104 32 L 4.4519 8.2681 132.5015 54.9378 42.0993 178.1015 33 L 5.1639 9.5963 117.2310 54.7198 43.8994 177.7355 34 T 4.6734 7.8222 109.1999 60.0000 71.1203 173.2475 35 W 5.1363 8.6478 126.5559 55.1222 31.8304 175.2036 36 Q 5.0741 8.7284 124.0668 54.8113 31.9057 174.6018 37 G 4.1454 8.5884 110.5327 45.9820 0.0000 171.7637 38 L 5.5673 9.0932 119.8108 53.0929 45.6869 176.0296 39 I 5.4028 9.1191 118.9150 59.4017 39.3628 175.3332 40 V 4.5552 8.4032 128.2047 60.1430 30.6547 173.2904 41 P 4.5545 0.0000 0.0000 63.2678 31.9090 176.4818 42 D 4.8747 8.7116 116.6208 53.3243 41.8834 174.0114 43 N 4.9571 7.9545 110.7488 53.4467 40.9847 179.5926 44 P 4.5857 0.0000 0.0000 61.6231 31.7014 174.5215 45 P 4.1206 0.0000 0.0000 66.4138 30.9170 176.1581 46 Y 4.7626 6.7063 116.7516 56.3699 36.3151 175.6329 47 D 4.6536 7.6606 118.6686 53.0007 41.5443 173.2062 48 K 3.7950 8.6529 129.9023 56.1301 28.7331 175.6338 49 G 4.9485 8.0275 124.9196 45.1062 0.0000 169.4229 50 A 4.3608 7.5605 124.1761 52.8704 19.9642 177.4250 51 F 4.9151 8.8639 116.7944 55.7748 43.3326 174.4084 52 R 4.9798 9.3449 124.4355 55.9368 31.4739 175.0964 53 I 4.7829 9.5155 129.5814 60.0187 41.3863 175.0105 54 E 5.6665 8.5628 123.0051 54.1004 32.7851 174.9011 55 I 4.1176 8.2212 126.3714 59.8364 39.2931 175.4824 56 N 4.4270 8.4707 123.2390 51.6812 41.5865 172.4915 57 F 5.0282 6.2633 119.0724 53.7083 39.7728 174.4832 58 P 4.3521 0.0000 0.0000 62.3750 31.7831 176.8482 59 A 4.0049 8.8229 123.6154 55.7334 18.5377 178.2341 60 E 4.5226 8.1850 112.0627 56.7935 29.7578 175.8259 61 Y 4.3247 8.3493 120.6859 57.8980 39.2567 173.5752 62 P 3.6626 0.0000 0.0000 62.3738 31.4285 177.7326 63 F 4.7479 7.3180 117.8204 58.7891 39.2208 175.7166 64 K 4.5992 7.7128 119.2025 53.5017 35.0538 173.9846 65 P 2.9700 0.0000 0.0000 60.9395 32.1955 174.1208 66 P 4.7389 0.0000 0.0000 62.0133 32.7897 175.4757 67 K 4.5676 8.5654 119.8704 55.2326 35.6465 175.1211 68 I 4.7419 8.1292 122.9137 60.0586 40.1478 174.6827 69 T 4.8114 8.1253 121.1549 61.7827 72.5709 173.3064 70 F 4.3288 8.9697 126.1639 57.6002 39.0062 175.4428 71 K 4.2311 9.3181 125.7598 58.7465 33.1563 176.6909 72 T 4.5469 8.1033 117.2681 61.8749 68.8590 175.1031 73 K 3.8813 8.7618 126.0422 56.9547 32.8510 176.1210 74 I 4.4490 7.5382 119.8060 59.9365 40.7814 174.5176 75 Y 4.4110 8.2116 127.8345 56.0958 37.3578 173.3194 76 H 5.2410 7.6981 121.4903 51.9199 33.6426 171.3375 77 P 4.2306 0.0000 0.0000 66.0419 30.9222 178.4747 78 N 4.4045 7.8578 110.8346 54.0936 38.1253 174.5057 79 I 4.8635 7.5269 118.4273 59.6789 41.1331 174.7073 80 D 4.7782 8.0699 124.2818 53.1320 42.7571 178.4143 81 E 3.9492 8.7549 118.5687 59.7666 29.6628 178.0714 82 K 4.1493 7.9118 118.0954 55.4173 31.9571 180.0412 83 G 4.0503 8.4301 109.6081 46.8008 0.0000 174.2259 84 Q 4.3345 7.8292 119.3983 54.9983 28.4620 181.1888 85 V 4.3469 7.8091 123.7151 61.1600 33.2507 175.3766 86 C 4.7476 7.7646 119.6696 57.1840 31.4492 172.4941 87 L 4.5870 7.5170 121.8965 53.1128 42.2267 176.1997 88 P 4.2579 0.0000 0.0000 65.5996 31.4313 178.7054 89 V 3.6703 7.7839 115.9138 63.9754 31.1268 176.6160 90 I 4.5792 7.4139 112.2142 61.7871 39.1585 175.5549 91 S 3.9734 8.4513 116.4600 59.5400 61.6844 172.7768 92 A 3.6188 7.8498 130.8048 49.4468 22.0375 176.7561 93 E 3.8945 9.1542 111.3136 56.9481 27.0476 173.6840 94 N 4.6218 8.1491 118.0997 54.8283 45.7800 175.4517 95 W 4.5086 8.2970 125.5397 57.5353 31.0191 174.9923 96 K 4.2369 6.6397 122.9518 53.3714 35.3342 175.5139 97 P 4.1965 0.0000 0.0000 64.9407 31.1974 177.4919 98 A 3.9253 7.4863 120.6679 54.0707 18.7657 177.4126 99 T 3.6947 6.7576 105.3292 62.0431 68.8896 174.1409 100 K 4.5798 8.6468 125.5558 54.6311 33.5631 178.0414 101 T 4.0641 8.8531 112.5838 64.7476 68.0871 175.8752 102 D 4.4677 8.0856 120.9191 57.3355 41.2865 177.8330 103 Q 4.4511 8.5812 120.2599 57.8160 28.8089 178.5224 104 V 3.6563 7.7598 112.9216 64.5432 31.7256 177.0768 105 I 3.8433 7.1991 116.6645 61.5636 38.8783 174.9190 106 Q 3.9530 8.5104 124.5183 58.1153 28.6016 175.7200 107 S 4.1437 7.7887 112.9905 61.5686 62.8403 176.6300 108 L 3.9809 7.6875 123.1153 58.0658 41.7489 178.8629 109 I 3.6948 7.6917 119.1782 64.4331 36.8886 178.0481 110 A 4.0201 8.1343 121.6056 54.8335 18.3409 179.3218 111 L 4.0997 7.7751 118.1620 57.4591 41.8479 179.2810 112 V 3.4868 7.4009 117.7913 65.8136 31.8370 177.4673 113 N 4.9507 8.3249 116.3299 55.0007 39.0728 176.1195 114 D 4.6881 7.5343 115.6383 51.6825 42.5136 178.5125 115 P 4.5570 0.0000 0.0000 61.6295 32.2642 177.4160 116 Q 4.3843 8.0419 120.8297 53.8800 27.5850 174.2299 117 P 4.0419 0.0000 0.0000 64.5597 30.6270 178.0820 118 E 3.6262 7.1610 115.7036 59.3428 29.9699 182.3829 *119 H 4.8081 7.4784 120.3960 51.5253 28.2688 173.1383 120 P 4.2955 0.0000 0.0000 62.2450 31.9061 177.9491 121 L 3.9853 8.5033 122.4186 54.9869 41.4339 176.7870 122 R 4.3550 7.8082 112.8994 54.0336 32.2010 174.1973 123 A 4.1165 8.3091 129.6385 55.9652 18.2031 178.1407 124 D 4.2273 8.5462 116.1412 59.8854 39.6170 181.8062 125 L 4.3072 8.1650 120.7364 57.5251 42.2551 179.0968 126 A 3.8394 7.6874 122.4808 55.8124 18.2695 179.9669 127 E 3.9883 8.1606 116.1723 61.2595 29.6594 181.0112 128 E 4.2658 7.9146 118.6951 58.1135 29.7213 177.6251 129 Y 3.8859 7.3456 118.5758 60.1373 39.3149 177.1250 130 S 4.4476 8.5881 114.4237 60.4785 63.6332 175.1521 131 K 4.5194 8.4594 121.2429 54.6741 32.8473 176.9012 132 D 5.5685 7.3176 132.1029 56.2849 42.0126 175.6057 133 R 4.1754 7.8499 132.6564 56.4058 30.7540 177.6222 134 K 4.5935 8.0253 117.1946 56.0036 36.5043 180.6116 135 K 4.3616 10.7763 115.8373 56.7681 31.8377 176.2890 136 F 4.7823 8.7370 119.0818 59.5907 41.2762 177.0479 137 C 4.0483 8.3716 120.0789 63.1088 27.8239 176.9689 138 K 3.9943 7.9274 127.2134 60.3525 31.4931 181.9381 139 N 4.6462 7.9068 116.5779 55.0416 37.7259 177.1214 140 A 4.3339 7.1924 120.8729 54.6504 20.6535 178.5992 141 E 4.3727 8.0610 121.0190 58.8519 29.3130 178.7162 142 E 4.2786 7.9756 116.8821 59.2487 30.0735 182.5043 143 F 5.0544 7.7654 117.7743 60.6143 39.6494 177.7395 144 T 4.1011 8.4871 116.1851 66.5687 68.2024 176.7820 145 K 4.0430 8.0675 120.4420 58.8529 32.1913 178.5631 146 K 4.1259 7.5173 118.6209 59.4458 33.2223 176.4128 147 Y 4.1126 8.1069 121.3537 57.5277 37.9994 175.3096 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 4 S 8.19 4.43 0.00 4.08 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.33 3.55 0.00 2.02 1.87 0.00 3.30 0.00 0.00 3.33 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 6 R 8.95 3.83 0.00 1.84 2.00 0.00 3.08 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 7 L 7.79 4.34 0.00 1.96 1.93 0.99 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 8 M 7.95 4.35 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.58 0.00 9 K 7.93 4.12 0.00 1.93 1.99 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.59 7.81 10 E 7.93 4.17 0.00 2.37 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 0.00 2.41 2.65 0.00 11 L 7.72 3.98 0.00 2.17 1.68 0.49 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.77 4.19 0.00 2.11 2.16 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 2.51 2.34 0.00 13 E 7.82 4.65 0.00 2.03 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 2.20 2.10 0.00 14 I 7.73 4.07 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.48 0.87 0.00 0.00 15 R 8.12 4.01 0.00 1.85 1.90 0.00 3.26 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 16 K 7.91 4.22 0.00 1.79 1.67 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.25 7.81 17 C 8.16 3.89 0.00 2.84 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 G 8.26 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 19 M 8.50 4.16 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.67 0.00 20 K 8.53 4.39 0.00 1.77 1.65 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.26 0.99 7.81 21 N 10.28 4.36 0.00 3.02 3.27 0.00 0.00 6.52 8.13 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 22 F 7.64 5.94 0.00 2.88 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 23 R 8.11 4.52 0.00 1.83 1.66 0.00 3.26 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 24 N 7.00 4.51 0.00 2.72 1.76 0.00 0.00 5.95 7.81 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 25 I 7.54 3.76 1.73 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.15 0.82 0.00 0.00 26 Q 7.65 4.38 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 27 V 8.51 3.83 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 28 D 7.83 4.28 0.00 2.97 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 29 E 8.23 3.69 0.00 2.20 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 0.00 2.10 1.86 0.00 30 A 8.32 4.43 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 31 N 8.37 4.77 0.00 2.65 2.75 0.00 0.00 6.55 6.67 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 32 L 8.27 4.45 0.00 1.75 2.05 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 L 9.60 5.16 0.00 1.44 1.70 0.99 0.78 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 34 T 7.82 4.67 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 1.23 0.00 0.00 35 W 8.65 5.14 0.00 3.21 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.73 5.07 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 37 G 8.59 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 38 L 9.09 5.57 0.00 1.66 1.63 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 I 9.12 5.40 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.83 0.91 0.00 0.00 40 V 8.40 4.56 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 0.90 0.00 0.00 1.03 0.00 0.00 41 P 0.00 4.55 0.00 2.58 2.20 0.00 3.95 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 42 D 8.71 4.87 0.00 2.63 2.49 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 43 N 7.95 4.96 0.00 2.68 2.63 0.00 0.00 6.69 7.75 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 44 P 0.00 4.59 0.00 2.35 2.45 0.00 3.83 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 45 P 0.00 4.12 0.00 1.75 2.16 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.81 0.00 46 Y 6.71 4.76 0.00 3.31 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 47 D 7.66 4.65 0.00 2.92 2.63 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 0.00 0.00 0.00 0.00 48 K 8.65 3.80 0.00 1.98 1.89 0.00 1.98 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.39 7.81 49 G 8.03 4.95 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 50 A 7.56 4.36 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 51 F 8.86 4.92 0.00 3.16 3.19 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 0.00 52 R 9.34 4.98 0.00 1.93 1.88 0.00 3.07 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 53 I 9.52 4.78 1.90 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.47 0.67 0.00 0.00 54 E 8.56 5.67 0.00 1.63 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 2.12 1.96 0.00 55 I 8.22 4.12 1.52 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.97 0.32 0.00 0.00 56 N 8.47 4.43 0.00 2.39 2.49 0.00 0.00 6.54 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 6.26 5.03 0.00 2.50 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 58 P 0.00 4.35 0.00 2.41 2.22 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.93 0.00 59 A 8.82 4.00 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.18 4.52 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 61 Y 8.35 4.32 0.00 2.90 2.81 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 62 P 0.00 3.66 0.00 1.53 1.08 0.00 2.20 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 63 F 7.32 4.75 0.00 3.32 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 64 K 7.71 4.60 0.00 1.69 1.56 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.44 7.81 65 P 0.00 2.97 0.00 1.66 0.83 0.00 3.46 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 66 P 0.00 4.74 0.00 1.85 2.02 0.00 3.25 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 67 K 8.57 4.57 0.00 1.67 1.74 0.00 1.20 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.26 7.81 68 I 8.13 4.74 1.72 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.60 0.58 0.00 0.00 69 T 8.13 4.81 4.18 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 1.22 0.00 0.00 70 F 8.97 4.33 0.00 2.94 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 71 K 9.32 4.23 0.00 1.78 2.05 0.00 1.88 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 72 T 8.10 4.55 4.62 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 1.30 0.00 0.00 73 K 8.76 3.88 0.00 1.66 1.55 0.00 1.73 0.00 0.00 1.35 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.55 7.81 74 I 7.54 4.45 1.23 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.29 0.01 0.00 0.00 75 Y 8.21 4.41 0.00 2.76 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 76 H 7.70 5.24 0.00 2.68 2.86 0.00 5.81 0.00 0.00 0.00 0.00 6.93 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 4.23 0.00 1.88 1.83 0.00 3.13 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.96 0.00 78 N 7.86 4.40 0.00 2.78 2.81 0.00 0.00 6.73 7.32 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 79 I 7.53 4.86 1.67 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.51 0.91 0.00 0.00 80 D 8.07 4.78 0.00 2.81 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 81 E 8.75 3.95 0.00 1.98 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 2.23 1.88 0.00 82 K 7.91 4.15 0.00 1.77 1.75 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.01 7.81 83 G 8.43 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 84 Q 7.83 4.33 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.85 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 85 V 7.81 4.35 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 0.96 0.00 0.00 1.10 0.00 0.00 86 C 7.76 4.75 0.00 2.94 2.75 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 87 L 7.52 4.59 0.00 1.85 1.77 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.26 0.00 2.20 2.18 0.00 3.64 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 89 V 7.78 3.67 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 0.79 0.00 0.00 0.97 0.00 0.00 90 I 7.41 4.58 1.81 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 1.42 0.76 1.09 0.00 0.00 91 S 8.45 3.97 0.00 3.94 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 92 A 7.85 3.62 1.31 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 93 E 9.15 3.89 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.88 0.00 94 N 8.15 4.62 0.00 3.00 2.87 0.00 0.00 6.73 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 95 W 8.30 4.51 0.00 3.54 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 96 K 6.64 4.24 0.00 1.31 1.29 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.18 7.81 97 P 0.00 4.20 0.00 2.05 2.19 0.00 3.12 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 98 A 7.49 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 6.76 3.69 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 1.10 0.00 0.00 100 K 8.65 4.58 0.00 1.91 1.94 0.00 1.98 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.47 7.81 101 T 8.85 4.06 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 102 D 8.09 4.47 0.00 2.69 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 0.00 103 Q 8.58 4.45 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 104 V 7.76 3.66 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 1.12 0.00 0.00 0.96 0.00 0.00 105 I 7.20 3.84 1.67 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 0.50 -0.20 0.34 0.00 0.00 106 Q 8.51 3.95 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 107 S 7.79 4.14 0.00 4.18 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.69 3.98 0.00 1.59 1.56 0.72 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.69 3.69 1.95 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 1.57 0.36 0.94 0.00 0.00 110 A 8.13 4.02 1.41 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 0.00 111 L 7.78 4.10 0.00 1.78 1.77 0.92 0.92 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 0.00 112 V 7.40 3.49 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 0.52 0.00 0.00 0.75 0.00 0.00 113 N 8.32 4.95 0.00 2.77 2.95 0.00 0.00 6.86 8.29 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 0.00 114 D 7.53 4.69 0.00 2.59 2.41 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 0.00 115 P 0.00 4.56 0.00 1.21 1.59 0.00 3.93 0.00 0.00 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 116 Q 8.04 4.38 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 117 P 0.00 4.04 0.00 1.85 1.83 0.00 3.48 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.35 0.00 118 E 7.16 3.63 0.00 2.01 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 2.27 2.16 0.00 *119 H 7.48 4.81 0.00 2.90 2.88 0.00 7.17 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.30 0.00 2.28 2.10 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.88 0.00 121 L 8.50 3.99 0.00 1.57 1.65 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.81 4.35 0.00 1.78 1.80 0.00 3.07 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 123 A 8.31 4.12 1.31 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 0.00 124 D 8.55 4.23 0.00 2.69 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 0.00 125 L 8.16 4.31 0.00 1.61 1.86 0.42 0.71 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 0.00 126 A 7.69 3.84 1.28 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 0.00 127 E 8.16 3.99 0.00 2.02 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 2.25 2.20 0.00 128 E 7.91 4.27 0.00 2.03 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 2.70 2.48 0.00 129 Y 7.35 3.89 0.00 2.06 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 0.00 130 S 8.59 4.45 0.00 4.06 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 0.00 131 K 8.46 4.52 0.00 1.88 1.94 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.60 1.33 7.81 132 D 7.32 5.57 0.00 2.78 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 0.00 133 R 7.85 4.18 0.00 1.61 1.81 0.00 3.18 0.00 0.00 2.93 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 134 K 8.03 4.59 0.00 1.66 1.70 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 0.98 7.81 135 K 10.78 4.36 0.00 2.08 1.90 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.56 7.81 136 F 8.74 4.78 0.00 3.45 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 0.00 137 C 8.37 4.05 0.00 2.98 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 0.00 138 K 7.93 3.99 0.00 1.76 1.80 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.07 7.81 139 N 7.91 4.65 0.00 2.82 2.75 0.00 0.00 6.44 7.46 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 0.00 140 A 7.19 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.06 4.37 0.00 2.05 1.93 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 2.28 2.29 0.00 142 E 7.98 4.28 0.00 2.03 1.93 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 2.21 2.17 0.00 143 F 7.77 5.05 0.00 2.93 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 0.00 144 T 8.49 4.10 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 1.41 0.00 0.00 145 K 8.07 4.04 0.00 1.99 1.86 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 146 K 7.52 4.13 0.00 2.00 1.93 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.74 2.13 7.81 147 Y 8.11 4.11 0.00 3.39 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 * Residues marked with a * may have inaccurate shift predictions.