NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4736 8.1693 120.6403 55.1453 43.1216 175.4529 8 H 4.8320 8.1456 114.2661 53.3401 31.4857 171.4874 9 K 4.4777 9.2677 121.8943 56.3884 33.8069 177.3727 10 E 5.0450 9.2827 123.3680 53.7552 33.6840 173.7742 11 P 4.9328 0.0000 0.0000 63.1947 32.6551 174.8266 12 A 4.8877 8.0788 121.0209 51.5888 22.8413 175.6972 13 T 4.6765 8.2738 108.8209 59.2238 71.9993 173.4262 14 L 4.1790 8.6601 125.8274 56.5766 42.1049 176.2680 15 I 4.2151 8.7336 127.7070 62.6734 38.1684 176.2319 16 K 4.4169 7.6107 119.5809 55.1576 35.4368 174.2128 17 A 4.3627 8.9059 130.7820 52.7002 18.6805 175.3899 18 I 4.3950 8.0378 120.2637 61.9817 40.6724 176.6249 19 D 4.6382 7.5883 118.9864 52.2275 41.4911 175.6488 20 G 3.9688 9.3764 105.8148 48.2996 0.0000 173.6699 21 D 5.1180 8.5942 116.4251 52.5590 41.6505 175.2678 22 T 5.3182 8.0487 107.8605 60.4889 72.4003 173.0329 23 V 4.6992 8.7587 123.4548 61.3478 35.6203 173.3208 24 K 4.8768 9.2505 130.1213 55.9968 33.2778 175.3320 25 E 5.2959 9.5263 126.2546 54.9305 34.8778 174.0426 26 M 4.9441 9.2547 122.5979 54.7346 33.8312 174.1998 27 Y 5.0694 9.1608 127.5847 56.5977 42.3761 175.7057 28 K 3.6333 9.1476 125.4198 57.4767 29.7918 175.6640 29 G 3.9535 8.3310 104.9857 45.5656 0.0000 173.4403 30 Q 4.8687 7.9248 119.4519 52.8662 31.7671 173.3968 31 P 4.9873 0.0000 0.0000 63.3272 32.1148 175.3957 32 M 4.7288 9.1700 119.4239 54.5111 35.1961 173.5778 33 T 4.7123 8.3144 117.5459 62.9622 70.3296 173.5343 34 F 4.9538 9.4752 126.3351 56.0874 41.1442 174.7609 35 R 4.9850 9.1660 124.5846 54.4812 31.8258 175.2263 36 L 4.4957 8.5318 127.4441 54.5008 41.8370 177.2685 37 L 3.9896 8.3703 124.3500 55.9543 42.8370 178.3274 38 L 4.3737 8.9656 119.8565 55.5907 39.3186 173.9782 39 V 5.1205 7.3695 109.6378 59.6184 35.9888 174.9568 40 D 4.9375 9.1669 121.6381 53.1386 44.1642 174.5803 41 T 4.8810 8.7823 116.9557 60.1921 70.6377 172.7945 42 P 4.6718 0.0000 0.0000 62.7140 32.2829 175.8490 43 E 3.9885 9.3026 121.1286 57.0211 30.1845 177.8033 *50 F 4.5885 8.5953 123.2617 58.3541 40.9917 175.7843 51 N 4.4507 8.2301 114.9080 53.8501 37.8740 174.4106 52 E 4.4341 7.9771 119.9644 54.0571 31.5795 175.0621 53 K 3.8509 8.1272 121.3028 58.0817 32.6035 176.6755 54 Y 4.1283 7.7077 120.9159 58.8076 36.3521 171.5284 55 G 3.5653 8.0472 107.6315 47.5093 0.0000 173.9347 56 P 4.1854 0.0000 0.0000 65.2502 31.1602 178.6094 57 E 4.0659 8.1369 116.5281 59.0564 29.4833 178.8937 58 A 4.0292 8.5557 121.2887 55.4728 18.0210 179.7464 59 S 4.1367 8.4311 113.4100 61.8249 62.9531 176.9440 60 A 4.0980 8.3234 123.3418 55.0150 18.1266 179.3110 61 F 3.9241 8.6502 119.4800 61.9411 39.4575 177.5043 62 T 3.9769 8.3340 115.2756 66.3938 68.1578 176.5216 63 K 3.8780 8.2602 121.6124 59.5172 32.2262 178.7738 64 K 3.8686 8.0052 119.8244 59.4657 31.8532 178.3094 65 M 3.8347 7.5386 117.5253 58.9259 32.6368 178.3822 66 V 3.8271 7.9688 112.3172 64.0053 31.5695 178.4918 67 E 4.1221 8.3109 118.0467 59.0392 29.5009 177.8336 68 N 4.4713 8.1730 114.7290 54.6141 39.0517 175.4551 69 A 4.4632 7.2421 121.0471 51.5611 18.9901 177.8621 70 K 4.0947 8.9058 121.7415 58.5827 33.4302 177.1077 71 K 4.4708 8.4533 120.9566 54.7782 35.1766 174.9265 72 I 4.8737 8.3848 128.6896 60.2471 39.0589 174.8444 73 E 5.0079 9.0702 125.1580 54.4925 34.0297 174.8092 74 V 4.4077 9.0246 121.4725 60.9944 34.9424 174.1184 75 E 4.9925 8.9489 127.9901 54.3063 32.0613 174.7202 76 F 4.6381 8.5826 125.7278 57.6197 40.0036 175.9916 77 D 4.9392 8.4602 121.2330 53.5779 43.2565 175.3002 78 K 4.2974 9.0707 118.1915 58.3634 33.3639 179.0426 79 G 4.1281 7.9155 114.3883 45.1163 0.0000 173.5287 80 Q 4.1323 8.5594 120.7896 56.3511 29.4692 177.1540 81 R 4.5496 8.3761 117.1564 56.4293 31.6717 176.0401 82 T 4.9345 7.5157 113.8576 61.5306 72.0384 173.3496 83 D 4.9687 9.0532 125.1350 50.8016 41.3916 177.1241 84 K 3.8828 8.2160 117.1542 58.9717 32.3887 176.9320 85 Y 4.4682 8.2392 116.8169 57.6204 38.1479 176.6314 86 G 3.9473 8.3136 108.8262 45.1361 0.0000 174.2325 87 R 4.1637 7.8910 119.6383 55.5802 31.4516 176.4610 88 G 3.7073 8.5395 111.0496 46.3583 0.0000 172.3066 89 L 5.5319 9.0324 122.9562 52.0647 43.7719 175.7731 90 A 4.5236 8.2339 124.0767 50.7386 23.1697 174.0204 91 Y 4.7724 8.7023 117.8925 57.4567 39.4865 174.9321 92 I 4.7806 8.5274 124.9431 59.7130 40.1034 174.2300 93 Y 5.2001 8.9516 123.3435 56.0600 41.5307 174.5970 94 A 4.8802 9.5080 125.8409 50.1143 21.4993 176.2954 95 D 4.3998 9.9951 125.7141 55.9488 39.0067 175.4710 96 G 3.9939 8.2385 105.3322 45.3867 0.0000 173.4841 97 K 4.3717 7.9049 120.2364 55.6110 33.3281 175.5493 98 M 4.2704 8.4788 122.8166 54.4397 33.0542 176.9432 99 V 3.6387 8.5517 127.4445 66.2377 31.6706 177.5013 100 N 4.2922 8.0842 115.6572 56.5709 38.3950 176.8276 101 E 3.9505 8.0599 119.7410 58.9371 29.7983 178.4296 102 A 4.0227 8.2068 120.9297 55.1051 18.5352 179.2007 103 L 3.3801 8.0969 117.7982 58.1394 41.7085 180.1065 104 V 3.8588 7.4581 118.7951 65.5628 31.2579 178.0031 105 R 4.0627 8.2438 117.7001 58.9587 29.9215 177.4572 106 Q 4.3991 7.5522 115.0620 54.5879 29.1341 175.7176 107 G 3.9735 8.0593 108.5795 46.7724 0.0000 175.0221 108 L 4.4575 7.7173 117.6885 54.2304 42.6786 176.4370 109 A 4.8363 7.5088 119.9816 50.2432 23.0774 175.1601 110 K 4.8766 8.5802 118.9162 54.7514 34.6192 176.5486 111 V 4.2870 8.9246 123.7120 63.3601 32.1061 175.0376 112 A 4.1622 9.1666 126.7106 51.5738 23.2907 175.1141 113 Y 3.2713 7.6892 113.6460 59.0132 35.1871 172.9020 114 V 3.9768 7.2821 119.4783 61.9521 30.9589 173.9886 115 Y 4.7546 7.9466 123.6475 55.7535 39.6844 177.0446 116 K 4.0173 8.9263 123.8063 59.5353 32.6238 178.4556 117 G 3.8374 8.3374 106.9428 48.0553 0.0000 173.3487 118 N 5.2537 8.1988 115.8397 51.1604 38.8557 173.9550 119 N 5.2325 7.8215 114.1744 52.6664 38.9253 177.6119 120 T 3.8296 9.0175 118.5179 67.8583 68.7685 174.9973 121 H 4.8181 7.9688 116.0878 55.6911 29.2211 176.3197 122 E 3.9804 8.3676 122.8662 59.8785 29.2905 179.1413 123 Q 4.0010 8.0379 117.2541 58.6577 28.9152 178.0270 124 L 3.9250 7.9977 120.9497 58.5243 41.9432 179.0831 125 L 4.0420 7.9995 118.5290 57.8583 41.4586 179.7787 126 R 3.9120 8.5265 118.5714 58.8458 29.7982 179.0122 127 K 3.8576 8.2583 119.4750 59.4138 32.2464 178.7185 128 A 3.9688 7.8952 120.8913 55.1076 18.2907 179.2083 129 E 3.8766 8.5420 117.9277 59.3371 29.6776 178.6504 130 A 3.8143 8.0714 120.9561 55.3370 18.2420 179.7759 131 Q 3.7885 7.7784 115.8075 58.9880 28.8463 178.2321 132 A 4.0120 7.8762 121.8521 55.4203 18.2422 179.8863 133 K 3.2623 8.0243 116.7868 59.1764 31.8249 179.1193 134 K 3.7391 7.8205 118.8779 59.8844 32.1605 177.9292 135 E 4.1319 8.2488 114.9480 55.9528 30.0266 176.6229 136 K 4.0235 8.0141 118.1989 57.2315 30.5834 175.5519 137 L 4.2688 8.3239 118.5415 55.3629 44.3543 178.4705 138 N 3.7071 9.5056 120.6153 54.0639 37.7429 176.2531 139 I 3.1244 4.0000 126.1168 64.4452 37.8257 176.7879 140 W 4.8837 7.9383 118.4456 56.4551 29.0102 176.4744 141 S 4.5112 7.9803 119.7215 58.4654 62.6661 173.8978 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 7 L 8.17 4.47 0.00 1.89 1.79 1.00 0.88 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 8 H 8.15 4.83 0.00 3.30 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.27 4.48 0.00 1.58 1.80 0.00 1.45 0.00 0.00 1.31 0.00 0.00 2.39 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.95 1.18 7.81 10 E 9.28 5.04 0.00 2.04 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 0.00 2.42 2.33 0.00 11 P 0.00 4.93 0.00 2.12 2.08 0.00 3.92 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 2.03 2.01 0.00 12 A 8.08 4.89 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 13 T 8.27 4.68 4.27 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 1.23 0.00 0.00 14 L 8.66 4.18 0.00 1.67 1.65 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.73 4.22 1.95 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 1.15 0.82 0.93 0.00 0.00 16 K 7.61 4.42 0.00 1.79 1.60 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.40 7.81 17 A 8.91 4.36 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 18 I 8.04 4.40 2.05 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 1.46 0.88 0.89 0.00 0.00 19 D 7.59 4.64 0.00 2.88 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 20 G 9.38 3.97 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 0.00 21 D 8.59 5.12 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.05 5.32 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 1.21 0.00 0.00 23 V 8.76 4.70 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 24 K 9.25 4.88 0.00 1.88 1.77 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.58 7.81 25 E 9.53 5.30 0.00 2.25 1.96 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 2.27 2.38 0.00 26 M 9.25 4.94 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 27 Y 9.16 5.07 0.00 3.36 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.15 3.63 0.00 1.51 1.64 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.84 0.21 7.81 29 G 8.33 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 30 Q 7.92 4.87 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 31 P 0.00 4.99 0.00 2.09 2.09 0.00 3.82 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 2.00 1.98 0.00 32 M 9.17 4.73 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.61 0.00 33 T 8.31 4.71 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 1.20 0.00 0.00 34 F 9.48 4.95 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 9.17 4.98 0.00 1.88 1.90 0.00 3.34 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 36 L 8.53 4.50 0.00 1.58 1.61 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.37 3.99 0.00 0.86 1.31 0.25 0.24 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 38 L 8.97 4.37 0.00 2.06 1.95 1.18 1.24 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 39 V 7.37 5.12 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 0.74 0.00 0.00 1.02 0.00 0.00 40 D 9.17 4.94 0.00 2.91 2.53 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 41 T 8.78 4.88 4.27 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 1.31 0.00 0.00 42 P 0.00 4.67 0.00 2.09 2.09 0.00 3.86 0.00 0.00 3.61 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 43 E 9.30 3.99 0.00 2.02 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 2.46 2.43 0.00 *50 F 8.60 4.59 0.00 2.99 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 51 N 8.23 4.45 0.00 2.88 2.99 0.00 0.00 5.95 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 52 E 7.98 4.43 0.00 2.11 1.86 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 2.23 2.20 0.00 53 K 8.13 3.85 0.00 1.52 1.49 0.00 1.67 0.00 0.00 1.38 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.49 1.09 7.81 54 Y 7.71 4.13 0.00 3.16 2.96 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 55 G 8.05 3.57 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 0.00 56 P 0.00 4.19 0.00 2.03 1.86 0.00 3.31 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 1.78 1.40 0.00 57 E 8.14 4.07 0.00 2.32 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 0.00 2.50 2.49 0.00 58 A 8.56 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.43 4.14 0.00 4.27 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 60 A 8.32 4.10 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 61 F 8.65 3.92 0.00 3.28 3.24 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 62 T 8.33 3.98 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 1.26 0.00 0.00 63 K 8.26 3.88 0.00 1.93 2.01 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.54 1.53 7.81 64 K 8.01 3.87 0.00 1.82 1.63 0.00 1.64 0.00 0.00 1.45 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.38 7.81 65 M 7.54 3.83 0.00 2.09 1.88 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 66 V 7.97 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 0.80 0.00 0.00 1.04 0.00 0.00 67 E 8.31 4.12 0.00 2.14 1.99 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 2.34 2.27 0.00 68 N 8.17 4.47 0.00 2.74 2.84 0.00 0.00 7.00 6.86 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 69 A 7.24 4.46 1.36 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 70 K 8.91 4.09 0.00 1.90 1.95 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.48 7.81 71 K 8.45 4.47 0.00 1.81 1.78 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.40 7.81 72 I 8.38 4.87 2.05 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 1.35 1.01 0.87 0.00 0.00 73 E 9.07 5.01 0.00 1.93 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 2.22 0.00 74 V 9.02 4.41 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 -0.06 0.00 0.00 75 E 8.95 4.99 0.00 2.26 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 2.49 2.54 0.00 76 F 8.58 4.64 0.00 3.00 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 77 D 8.46 4.94 0.00 2.74 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 78 K 9.07 4.30 0.00 1.76 1.86 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 79 G 7.92 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.56 4.13 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 81 R 8.38 4.55 0.00 1.61 1.39 0.00 2.57 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 82 T 7.52 4.93 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 1.18 0.00 0.00 83 D 9.05 4.97 0.00 2.77 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 84 K 8.22 3.88 0.00 1.55 1.73 0.00 1.21 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.97 0.27 7.81 85 Y 8.24 4.47 0.00 3.06 2.94 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 86 G 8.31 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 87 R 7.89 4.16 0.00 2.11 1.89 0.00 3.12 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 88 G 8.54 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 9.03 5.53 0.00 1.56 1.60 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.23 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.70 4.77 0.00 2.87 2.58 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 0.00 92 I 8.53 4.78 1.76 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 1.08 0.84 0.90 0.00 0.00 93 Y 8.95 5.20 0.00 2.79 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 94 A 9.51 4.88 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 95 D 10.00 4.40 0.00 2.73 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 96 G 8.24 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 97 K 7.90 4.37 0.00 2.08 1.77 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.40 7.81 98 M 8.48 4.27 0.00 1.90 1.70 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.26 0.00 99 V 8.55 3.64 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 1.14 0.00 0.00 0.97 0.00 0.00 100 N 8.08 4.29 0.00 2.90 2.94 0.00 0.00 6.75 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 0.00 101 E 8.06 3.95 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 102 A 8.21 4.02 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 0.00 103 L 8.10 3.38 0.00 1.81 1.65 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.46 3.86 2.22 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 1.32 0.00 0.00 1.01 0.00 0.00 105 R 8.24 4.06 0.00 1.86 2.10 0.00 3.34 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 106 Q 7.55 4.40 0.00 1.55 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 107 G 8.06 3.97 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 0.00 108 L 7.72 4.46 0.00 1.31 1.53 0.60 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.51 4.84 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 0.00 110 K 8.58 4.88 0.00 1.74 1.80 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.37 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.25 1.17 7.81 111 V 8.92 4.29 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 0.74 0.00 0.00 1.01 0.00 0.00 112 A 9.17 4.16 1.10 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 0.00 0.00 113 Y 7.69 3.27 0.00 3.16 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 0.00 114 V 7.28 3.98 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 0.93 0.00 0.00 0.98 0.00 0.00 115 Y 7.95 4.75 0.00 3.08 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 0.00 116 K 8.93 4.02 0.00 1.78 1.91 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 117 G 8.34 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 0.00 0.00 0.00 118 N 8.20 5.25 0.00 2.80 2.80 0.00 0.00 6.82 7.28 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 0.00 119 N 7.82 5.23 0.00 2.87 3.17 0.00 0.00 6.09 7.22 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 0.00 120 T 9.02 3.83 4.11 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 1.09 0.00 0.00 121 H 7.97 4.82 0.00 2.84 3.06 0.00 5.64 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.37 3.98 0.00 2.11 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 2.33 2.40 0.00 123 Q 8.04 4.00 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 8.00 3.92 0.00 1.74 1.85 0.90 0.55 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 0.00 125 L 8.00 4.04 0.00 1.90 1.74 1.04 0.79 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 0.00 126 R 8.53 3.91 0.00 1.80 1.95 0.00 3.12 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 127 K 8.26 3.86 0.00 1.94 2.00 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 128 A 7.90 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.54 3.88 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.58 0.00 130 A 8.07 3.81 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 0.00 131 Q 7.78 3.79 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 132 A 7.88 4.01 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 0.00 133 K 8.02 3.26 0.00 1.53 1.42 0.00 0.80 0.00 0.00 0.98 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.82 3.74 0.00 1.81 1.90 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 135 E 8.25 4.13 0.00 1.96 1.99 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 2.34 2.33 0.00 136 K 8.01 4.02 0.00 1.88 1.91 0.00 1.87 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.56 7.81 137 L 8.32 4.27 0.00 1.92 1.74 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.51 3.71 0.00 2.70 1.59 0.00 0.00 7.13 7.49 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 0.00 139 I 4.00 3.12 1.09 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 -0.09 -0.22 0.00 0.00 140 W 7.94 4.88 0.00 3.26 3.10 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 0.00 141 S 7.98 4.51 0.00 4.03 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 * Residues marked with a * may have inaccurate shift predictions.