NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 E 4.2954 8.4449 118.7973 55.9027 31.2141 174.8609 8 T 4.5000 7.9822 115.8827 62.3149 70.6926 172.0217 9 Q 4.6691 9.4292 126.0256 56.0571 32.6604 175.0396 10 E 5.1636 7.9963 115.3952 55.4059 33.0198 174.8116 11 C 5.3696 9.1180 117.6488 54.8467 41.7220 173.1527 12 L 4.4297 8.9289 123.4420 55.3875 43.0133 175.3436 13 F 5.1674 9.3643 128.8688 56.5287 41.9201 173.9454 14 F 5.0306 8.1527 127.0279 56.8513 43.4132 172.8585 15 N 5.1248 8.8754 124.1567 52.2168 40.7806 174.7367 16 A 4.3841 9.1610 130.7329 54.7587 18.9566 177.4347 17 N 4.9452 8.5895 113.6813 52.8832 39.3795 177.3446 18 W 4.4840 8.1745 118.4218 59.1286 28.5406 178.2365 19 E 3.3952 7.0535 118.3130 58.8826 28.9658 179.3542 20 R 4.0025 7.6097 113.3323 58.8646 29.7868 177.1499 21 D 4.4620 8.1501 116.6542 54.3909 41.5183 176.0119 22 R 3.8837 7.5272 116.0926 57.8854 27.6123 174.7039 23 T 4.8187 7.7850 106.4768 59.2299 72.3011 173.3302 24 N 4.5676 8.5076 118.6427 53.4023 39.3794 175.5325 25 Q 3.7508 8.1452 121.5281 58.5631 29.2436 175.8090 26 T 5.1724 7.4901 104.5597 59.3050 72.7531 174.1763 27 G 3.9641 7.3819 107.4593 46.3650 0.0000 171.6853 28 V 4.7831 8.1485 123.5881 61.1281 33.8397 175.6409 29 E 4.4987 9.1965 130.4221 54.4450 31.1773 173.1466 30 P 4.8056 0.0000 0.0000 62.6096 32.5080 176.0615 31 C 4.6724 8.4587 122.6061 55.4120 41.2812 171.5221 32 Y 4.5791 8.4916 119.8280 56.7095 39.0787 179.5503 33 G 3.7711 10.0116 122.2204 47.9668 0.0000 175.2681 *38 R 4.1003 8.8348 112.8088 55.9181 31.7138 177.6517 39 R 4.8136 8.3892 121.5951 54.7089 32.1217 175.1705 40 H 5.1998 8.9519 117.0524 54.7363 33.9684 171.7163 41 C 5.6985 9.1869 117.1993 55.8981 38.5917 172.9454 42 F 5.4021 9.0222 114.5222 55.7586 41.6854 172.9332 43 A 4.7648 8.5776 120.1830 50.2453 22.7567 175.1848 44 T 5.4010 8.9008 110.5602 59.8641 72.2363 172.9662 45 W 5.5042 8.8533 120.3100 55.5861 32.2428 173.2563 46 K 4.8153 9.1975 120.2305 54.9771 34.4960 175.7412 47 N 5.1327 8.4817 121.0437 52.3588 41.0875 173.3939 48 I 4.2922 8.5446 128.1469 60.1758 38.3155 176.4630 49 S 3.8095 9.9171 122.9382 59.3533 60.3437 173.8326 50 G 3.9299 8.4028 109.4375 45.1495 0.0000 174.4462 51 S 4.4542 8.0360 116.9968 57.9939 63.8396 173.3191 52 I 4.8658 8.2752 126.1714 59.8894 38.7446 174.9479 53 E 4.6085 9.0367 127.3168 54.1710 32.2368 174.9262 54 I 3.8959 8.3343 128.3509 61.8214 37.6321 175.9110 55 V 4.1505 9.0102 127.3844 64.5340 32.4474 175.5170 56 K 5.1885 8.0145 118.4888 55.1362 37.1496 174.8025 57 Q 4.1896 9.5997 121.0785 53.4923 33.2684 176.1126 58 G 4.4369 6.6762 107.2742 46.2117 0.0000 171.3195 59 C 5.1116 9.1859 117.7116 56.3982 35.3423 173.1749 60 W 4.7172 9.7034 134.6386 56.4790 32.1438 176.4015 61 L 4.5006 7.9686 125.6469 55.2965 41.7860 173.3815 62 D 4.5875 7.4336 118.3883 54.5490 41.4469 176.4128 63 D 4.5720 8.4770 120.2754 54.1949 40.1972 176.7954 64 I 4.4406 7.9325 120.7979 59.6197 40.7735 172.9485 65 N 4.9708 8.4328 121.5261 51.5980 40.7648 174.9640 66 C 4.9275 8.2777 118.3407 55.0920 43.3743 173.8139 67 Y 4.2552 8.3829 118.2656 60.4528 37.8555 175.9086 68 D 4.8486 7.9328 119.2709 52.9655 44.9134 175.8301 69 R 4.1190 8.9730 126.1572 60.2098 29.9235 179.3361 70 T 4.2116 8.1426 109.1290 62.4337 69.3091 176.3736 71 D 4.9281 8.1798 121.0695 52.9976 42.7433 175.9297 72 C 4.7387 8.7575 122.6435 55.8540 44.6660 172.1510 73 I 5.5072 8.4195 126.5970 59.6090 40.7005 174.4725 74 E 4.8705 9.6243 127.9294 55.1833 31.0567 176.1399 75 K 4.7560 8.1558 123.7518 55.0466 33.9507 176.4161 76 K 4.3251 8.6277 120.3439 56.1185 32.6391 176.2774 77 D 4.6062 8.5327 121.4463 54.4391 41.7344 177.3984 78 S 3.6215 9.0252 123.4752 58.9295 60.7895 170.4925 79 P 4.3727 0.0000 0.0000 62.2196 32.6361 176.9983 80 E 4.0110 8.4993 118.9034 58.3515 29.7637 177.2270 81 V 4.3451 7.3093 118.2739 60.9938 33.4290 175.1833 82 Y 3.9291 8.7292 126.6659 57.8215 38.8108 174.7456 83 F 5.2940 8.7707 124.2440 56.9199 43.0010 171.0810 84 C 5.1450 8.2709 118.4895 54.0292 45.4154 170.1924 85 C 5.6498 8.5164 113.7712 54.2607 45.7318 171.3802 86 C 5.0741 9.1925 113.2318 54.7429 45.2223 172.2361 87 E 4.9603 9.0918 119.4600 55.4983 31.8757 176.1302 88 G 4.0758 9.0184 111.8626 44.2865 0.0000 173.2720 89 N 4.6403 8.7486 120.7129 55.2159 39.0919 174.7550 90 M 3.2654 9.1290 121.6860 56.1220 30.0993 176.5188 91 C 4.3997 8.2761 116.0974 58.1169 41.8728 174.1752 92 N 4.7323 8.0630 115.8616 53.0426 37.0669 175.7284 93 E 4.0982 8.0883 120.1801 58.7310 29.7252 177.3857 94 K 4.3624 7.8242 117.4923 54.3132 33.9880 175.3970 95 F 5.1599 7.2842 117.2386 55.3907 40.9500 173.7206 96 S 4.6742 9.2433 116.1578 56.9852 67.8319 172.2603 97 Y 5.2369 8.3335 121.9373 56.3767 40.3520 175.2813 98 F 4.9657 8.7391 126.7049 54.1021 39.9914 172.2515 99 P 4.2775 0.0000 0.0000 62.2932 31.9244 177.7884 100 E 3.9000 8.8114 121.2230 59.6756 29.3912 178.5451 101 M 3.9396 8.0543 118.2451 58.1481 31.4678 176.7248 *102 E 4.1168 7.8184 120.1130 56.0677 30.5921 180.4577 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 E 8.44 4.30 0.00 2.10 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 0.00 2.18 2.35 0.00 8 T 7.98 4.50 4.26 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 1.25 0.00 0.00 9 Q 9.43 4.67 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 10 E 8.00 5.16 0.00 1.98 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 2.44 2.34 0.00 11 C 9.12 5.37 0.00 2.95 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 12 L 8.93 4.43 0.00 1.81 1.55 1.07 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 F 9.36 5.17 0.00 3.25 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 14 F 8.15 5.03 0.00 2.99 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 15 N 8.88 5.12 0.00 2.71 2.76 0.00 0.00 6.90 7.68 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 16 A 9.16 4.38 1.57 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 17 N 8.59 4.95 0.00 3.08 2.86 0.00 0.00 6.56 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 18 W 8.17 4.48 0.00 3.88 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 19 E 7.05 3.40 0.00 1.44 1.57 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 1.47 1.47 0.00 20 R 7.61 4.00 0.00 1.87 1.97 0.00 3.00 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 21 D 8.15 4.46 0.00 2.89 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 22 R 7.53 3.88 0.00 2.06 2.05 0.00 3.46 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 23 T 7.79 4.82 4.51 0.00 0.00 0.00 0.00 0.00 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 24 N 8.51 4.57 0.00 2.84 2.97 0.00 0.00 6.84 7.69 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 25 Q 8.15 3.75 0.00 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 1.70 1.57 0.00 26 T 7.49 5.17 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 0.80 0.00 0.00 27 G 7.38 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 0.00 0.00 0.00 28 V 8.15 4.78 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 0.83 0.00 0.00 0.95 0.00 0.00 29 E 9.20 4.50 0.00 2.27 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 2.29 2.16 0.00 30 P 0.00 4.81 0.00 1.88 1.98 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 31 C 8.46 4.67 0.00 2.79 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 32 Y 8.49 4.58 0.00 2.97 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 0.00 0.00 0.00 33 G 10.01 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 R 8.83 4.10 0.00 1.87 1.79 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 39 R 8.39 4.81 0.00 1.84 1.92 0.00 3.19 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 40 H 8.95 5.20 0.00 3.24 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 9.19 5.70 0.00 2.93 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 42 F 9.02 5.40 0.00 2.75 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 43 A 8.58 4.76 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 44 T 8.90 5.40 4.39 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 1.69 0.00 0.00 45 W 8.85 5.50 0.00 3.34 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.20 4.82 0.00 1.73 1.76 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.40 7.81 47 N 8.48 5.13 0.00 2.22 1.78 0.00 0.00 6.89 7.94 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 48 I 8.54 4.29 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 0.92 0.00 0.00 49 S 9.92 3.81 0.00 3.98 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 50 G 8.40 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 0.00 0.00 0.00 51 S 8.04 4.45 0.00 3.93 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.28 4.87 1.80 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 1.27 0.64 0.88 0.00 0.00 53 E 9.04 4.61 0.00 2.03 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 0.00 2.23 2.30 0.00 54 I 8.33 3.90 0.72 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.42 0.09 0.00 0.00 55 V 9.01 4.15 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 1.05 0.00 0.00 0.99 0.00 0.00 56 K 8.01 5.19 0.00 1.96 1.77 0.00 1.90 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.57 7.81 57 Q 9.60 4.19 0.00 1.86 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 1.91 1.88 0.00 58 G 6.68 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.19 5.11 0.00 3.10 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 W 9.70 4.72 0.00 3.55 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 61 L 7.97 4.50 0.00 1.70 1.55 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.43 4.59 0.00 2.74 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 63 D 8.48 4.57 0.00 2.69 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 0.00 0.00 0.00 64 I 7.93 4.44 2.02 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.78 0.00 0.00 65 N 8.43 4.97 0.00 2.62 2.60 0.00 0.00 6.78 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 66 C 8.28 4.93 0.00 3.05 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 67 Y 8.38 4.26 0.00 3.24 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 68 D 7.93 4.85 0.00 2.66 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 69 R 8.97 4.12 0.00 1.78 1.92 0.00 3.29 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 70 T 8.14 4.21 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 1.21 0.00 0.00 71 D 8.18 4.93 0.00 2.75 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 72 C 8.76 4.74 0.00 3.07 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 73 I 8.42 5.51 2.10 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.99 1.20 0.00 0.00 74 E 9.62 4.87 0.00 2.39 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 0.00 2.15 2.53 0.00 75 K 8.16 4.76 0.00 0.79 1.17 0.00 1.94 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.42 0.83 7.81 76 K 8.63 4.33 0.00 1.79 1.70 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.67 7.81 77 D 8.53 4.61 0.00 2.66 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 78 S 9.03 3.62 0.00 3.94 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 79 P 0.00 4.37 0.00 1.89 1.73 0.00 2.95 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.32 0.00 80 E 8.50 4.01 0.00 1.93 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 2.29 2.25 0.00 81 V 7.31 4.35 2.04 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 0.83 0.00 0.00 0.93 0.00 0.00 82 Y 8.73 3.93 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.77 5.29 0.00 2.88 2.73 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 0.00 0.00 0.00 0.00 84 C 8.27 5.14 0.00 3.15 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 85 C 8.52 5.65 0.00 3.03 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 86 C 9.19 5.07 0.00 3.04 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 87 E 9.09 4.96 0.00 2.00 1.88 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 2.13 2.27 0.00 88 G 9.02 4.08 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 0.00 0.00 0.00 89 N 8.75 4.64 0.00 2.73 2.81 0.00 0.00 7.09 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 90 M 9.13 3.27 0.00 2.43 2.19 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 91 C 8.28 4.40 0.00 3.27 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 92 N 8.06 4.73 0.00 2.77 2.94 0.00 0.00 6.07 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 93 E 8.09 4.10 0.00 2.00 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 2.35 2.39 0.00 94 K 7.82 4.36 0.00 1.66 1.58 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.27 7.81 95 F 7.28 5.16 0.00 2.51 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 96 S 9.24 4.67 0.00 3.86 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 97 Y 8.33 5.24 0.00 3.14 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 98 F 8.74 4.97 0.00 2.95 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 99 P 0.00 4.28 0.00 2.09 1.86 0.00 3.37 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 1.79 1.37 0.00 100 E 8.81 3.90 0.00 2.01 2.04 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 2.28 2.42 0.00 101 M 8.05 3.94 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 *102 E 7.82 4.12 0.00 1.84 1.79 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 2.13 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.