NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 K 3.9620 8.2993 119.9849 56.5487 33.8368 174.8032 12 F 4.6594 7.7584 115.6367 55.2272 38.6018 173.8541 13 R 4.3849 9.5389 124.3257 56.8671 30.4083 181.3801 14 V 2.6477 6.9866 113.3788 60.7039 34.2326 175.4456 15 R 3.7006 7.8525 118.9876 56.6495 28.1530 177.4819 16 N 4.3957 8.2097 116.2690 56.1126 39.5347 177.4441 17 R 4.0791 7.4638 118.2174 56.4375 30.0677 177.9841 18 I 2.8278 8.3797 115.3951 61.9924 38.1865 174.2141 19 K 4.3731 8.6418 120.9435 56.3357 32.1240 176.0566 20 R 4.5249 7.8770 116.8294 54.5250 30.9100 175.7056 21 T 4.5253 8.4483 119.0567 63.5963 71.0460 174.6203 22 G 3.8257 8.0234 109.6514 46.3459 0.0000 174.2769 23 R 3.3293 8.5917 118.8364 55.7475 29.2812 174.9462 24 L 3.5347 8.1269 116.2611 55.6202 39.0631 173.2968 25 R 4.6123 8.5263 123.4892 53.8740 32.3108 175.8514 26 L 4.5802 7.6442 129.8981 53.7542 40.0296 175.8659 27 S 4.6986 8.3408 116.8488 58.5861 64.0298 175.0030 28 V 4.5610 8.0413 129.1036 63.1650 33.0313 175.1426 29 F 5.6966 8.1932 133.5049 58.7481 41.0013 173.0620 30 R 4.5889 8.0706 129.0268 54.8126 31.8174 175.4503 31 S 4.3591 8.0678 127.7955 58.5643 60.8720 174.4492 32 L 4.8060 8.0899 118.9011 53.5208 42.7772 175.1764 33 K 4.5133 7.4428 121.9351 56.7011 39.2975 175.1542 34 H 5.3941 7.8681 114.7220 52.8391 32.7259 172.5903 35 I 5.0182 8.3908 121.7450 59.5251 40.6147 173.5018 36 Y 5.1482 9.7015 126.5350 56.2298 41.3551 174.5495 37 A 5.1192 8.6080 123.9524 50.5702 23.1471 175.0201 38 Q 4.9121 8.8797 120.0386 55.1926 33.3781 173.2642 39 I 4.7211 8.7939 128.1699 60.6069 38.6724 174.9310 40 I 4.9735 8.9080 127.9577 59.4055 41.2548 173.9353 41 D 5.0875 9.1390 125.5770 52.8922 43.2437 176.1763 42 D 4.8259 8.5452 126.0993 53.9261 42.8448 177.0527 43 E 4.3305 9.2141 118.9417 57.4928 28.6265 175.7437 44 K 4.5176 8.2940 116.9383 54.2989 33.2049 174.1204 45 G 4.1090 7.5123 106.8846 45.4799 0.0000 170.6187 46 V 4.5753 8.4064 124.9155 61.9683 35.6003 171.9289 47 T 4.7028 8.5356 121.4128 62.1715 70.9723 171.9428 48 L 4.6474 8.8354 120.3291 55.8107 44.0102 176.7646 49 V 4.2050 7.5673 118.5848 62.8600 33.5009 174.8068 50 S 4.9458 8.4255 119.0393 57.4047 66.1707 174.2896 51 A 4.6208 8.7743 124.1321 51.1572 20.9040 176.0668 52 S 4.0955 8.2307 116.5119 59.3364 64.4754 173.2719 53 S 4.0124 7.8439 115.1796 59.3713 61.5315 174.8373 54 L 4.2899 7.9700 122.2962 55.3277 42.7887 178.5173 55 A 4.2885 6.9749 118.6431 52.6708 17.5834 176.5819 56 L 4.5721 8.6121 117.0070 55.0797 45.6251 178.8236 57 K 4.4169 8.8561 121.9569 57.2274 32.4168 177.7443 58 L 3.1063 9.7874 110.1681 56.9002 42.8205 174.4384 59 K 4.3565 7.9520 124.4945 56.1659 33.9691 175.6471 60 G 4.0619 8.3854 113.7144 46.6634 0.0000 171.3670 61 N 4.7077 7.9919 119.7466 51.3141 38.9859 174.2784 62 K 3.6005 8.3769 123.6481 60.3163 32.4458 178.5897 63 T 3.8282 8.2256 113.1005 65.5672 68.9324 175.4301 64 E 4.0108 8.3945 121.9191 58.8849 29.9749 179.6638 65 V 3.2718 8.6112 117.9325 65.9082 31.5422 175.0872 66 A 4.4554 8.9157 128.1673 53.9589 16.4100 177.0431 67 R 5.0659 7.9839 126.1188 57.4075 28.4401 177.0080 68 Q 3.9041 7.6156 119.7669 58.8229 28.6547 179.4079 69 V 3.8978 8.1562 120.0890 63.6950 31.7736 178.4726 70 G 3.7700 7.7519 106.0588 47.1405 0.0000 175.6563 71 R 3.9219 9.1172 121.1151 59.1982 29.9955 178.4273 72 A 4.0081 7.6057 119.7063 55.6647 18.2260 179.6079 73 L 3.9501 7.4984 116.5669 57.8412 41.7188 178.9641 74 A 3.7569 8.3717 116.3214 56.4017 17.9492 178.8998 75 E 3.6888 7.3762 114.3735 58.7431 30.1064 180.3438 76 K 4.3984 8.0085 120.4696 60.0437 32.6972 177.9962 77 A 4.0585 9.3753 123.2933 53.6517 18.1904 179.6617 78 L 3.8786 8.8238 116.9770 57.4587 41.8555 179.6264 79 A 4.0681 8.1123 120.9445 54.6736 18.3525 178.8620 80 L 4.4410 8.3679 115.5863 55.7717 41.3271 176.4210 81 G 3.7862 7.9324 103.8498 48.1728 0.0000 174.4121 82 I 4.6746 7.0658 118.0619 59.3642 42.2592 175.0707 83 K 4.4232 8.8409 128.5655 56.3117 38.9084 176.3686 84 Q 4.0600 9.1291 111.6336 56.4602 30.0455 177.7106 85 V 4.4409 8.1178 114.9646 60.9633 36.4441 171.4719 86 A 5.0341 8.0040 121.5122 49.7543 20.8579 179.1626 87 F 5.0366 8.9403 122.9860 57.7430 39.7871 172.1478 88 D 4.3656 7.1662 114.3982 54.4485 45.5735 172.4385 89 R 3.5357 8.8700 123.5408 56.2701 30.8663 176.8108 90 G 3.4390 7.9627 114.6061 47.3260 0.0000 173.5763 91 P 4.0755 0.0000 0.0000 65.1288 31.3123 179.1595 92 Y 3.9635 7.8710 116.3604 59.0370 39.3690 175.7928 93 K 3.0906 7.5083 123.1673 54.8328 29.6213 170.7699 94 Y 4.1963 6.2334 119.8595 57.7796 39.3381 175.0104 95 H 4.0879 8.1677 133.6073 56.2516 33.3162 174.9409 96 G 3.6194 7.7964 101.9969 47.8460 0.0000 173.0890 97 R 3.8963 7.5565 117.3435 56.1243 29.8302 176.0831 98 V 4.3909 7.8424 118.5467 62.1527 34.2957 173.1752 99 K 4.5599 8.2369 121.4462 55.9345 33.3623 176.3383 100 A 4.2163 7.8153 124.7430 52.1834 16.7200 177.0281 101 L 4.5986 7.5574 120.2814 52.6516 45.7828 176.7622 102 A 4.2513 8.2046 125.1791 52.9118 19.9282 178.0148 103 E 3.6761 9.4262 120.9857 57.0747 26.6913 176.9925 104 G 3.8095 9.3874 108.6176 47.2107 0.0000 173.2361 105 A 4.5022 8.0289 126.3799 52.5982 19.1733 178.6231 106 R 4.7901 7.9891 119.0110 57.1964 30.5974 175.7741 107 E 3.6114 8.8136 119.9985 56.8865 30.2717 172.8762 108 G 3.4437 8.3691 105.6045 45.8285 0.0000 173.9057 *109 G 3.7078 7.6911 110.0923 45.7155 0.0000 172.0895 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 11 K 8.30 3.96 0.00 1.70 1.76 0.00 1.46 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.41 7.81 12 F 7.76 4.66 0.00 3.05 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 13 R 9.54 4.38 0.00 1.84 2.02 0.00 3.34 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 14 V 6.99 2.65 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 0.76 0.00 0.00 0.87 0.00 0.00 15 R 7.85 3.70 0.00 1.89 1.90 0.00 3.43 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 16 N 8.21 4.40 0.00 2.40 2.54 0.00 0.00 7.20 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 17 R 7.46 4.08 0.00 1.87 1.95 0.00 3.00 0.00 0.00 3.17 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 18 I 8.38 2.83 1.83 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 1.28 0.55 0.94 0.00 0.00 19 K 8.64 4.37 0.00 1.67 1.84 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.38 7.81 20 R 7.88 4.52 0.00 1.77 1.81 0.00 3.30 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 21 T 8.45 4.53 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 1.20 0.00 0.00 22 G 8.02 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 23 R 8.59 3.33 0.00 1.93 1.93 0.00 3.36 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 24 L 8.13 3.53 0.00 1.80 1.69 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.53 4.61 0.00 1.84 1.72 0.00 2.99 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.47 0.00 26 L 7.64 4.58 0.00 1.98 1.75 1.26 1.13 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 27 S 8.34 4.70 0.00 3.83 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 28 V 8.04 4.56 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 1.25 0.00 0.00 1.01 0.00 0.00 29 F 8.19 5.70 0.00 3.03 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 30 R 8.07 4.59 0.00 1.78 1.78 0.00 3.27 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 31 S 8.07 4.36 0.00 3.49 3.60 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 32 L 8.09 4.81 0.00 1.58 1.57 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.44 4.51 0.00 1.39 1.52 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.47 7.81 34 H 7.87 5.39 0.00 3.33 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.39 5.02 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.95 0.00 0.00 36 Y 9.70 5.15 0.00 2.94 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 37 A 8.61 5.12 1.32 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 0.00 0.00 0.00 38 Q 8.88 4.91 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 39 I 8.79 4.72 1.98 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 1.27 0.79 0.93 0.00 0.00 40 I 8.91 4.97 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 1.11 0.97 0.94 0.00 0.00 41 D 9.14 5.09 0.00 2.73 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 42 D 8.55 4.83 0.00 2.81 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 43 E 9.21 4.33 0.00 2.13 2.14 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 2.18 2.31 0.00 44 K 8.29 4.52 0.00 1.86 1.69 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.37 7.81 45 G 7.51 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 0.00 0.00 0.00 0.00 46 V 8.41 4.58 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 0.79 0.00 0.00 0.93 0.00 0.00 47 T 8.54 4.70 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 1.35 0.00 0.00 48 L 8.84 4.65 0.00 1.48 1.55 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.57 4.20 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 1.05 0.00 0.00 0.95 0.00 0.00 50 S 8.43 4.95 0.00 3.91 3.80 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 0.00 0.00 0.00 51 A 8.77 4.62 1.32 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 0.00 0.00 0.00 52 S 8.23 4.10 0.00 3.14 3.73 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 53 S 7.84 4.01 0.00 4.16 3.48 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 54 L 7.97 4.29 0.00 0.69 1.26 0.91 1.13 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 55 A 6.97 4.29 1.02 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 0.00 0.00 56 L 8.61 4.57 0.00 1.46 1.81 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.86 4.42 0.00 1.90 1.43 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.17 1.07 7.81 58 L 9.79 3.11 0.00 1.67 1.90 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.95 4.36 0.00 1.84 2.03 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.43 7.81 60 G 8.39 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 0.00 0.00 0.00 61 N 7.99 4.71 0.00 2.75 2.69 0.00 0.00 7.11 6.75 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 62 K 8.38 3.60 0.00 1.81 1.69 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.41 7.81 63 T 8.23 3.83 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 1.17 0.00 0.00 64 E 8.39 4.01 0.00 2.28 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 2.40 2.39 0.00 65 V 8.61 3.27 2.38 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 0.91 0.00 0.00 0.96 0.00 0.00 66 A 8.92 4.46 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 67 R 7.98 5.07 0.00 2.18 1.98 0.00 3.13 0.00 0.00 3.32 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.34 0.00 68 Q 7.62 3.90 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 69 V 8.16 3.90 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 0.91 0.00 0.00 1.06 0.00 0.00 70 G 7.75 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 71 R 9.12 3.92 0.00 1.80 2.01 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 72 A 7.61 4.01 1.38 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 73 L 7.50 3.95 0.00 1.91 1.78 1.01 0.88 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 74 A 8.37 3.76 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 75 E 7.38 3.69 0.00 2.05 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 2.35 2.40 0.00 76 K 8.01 4.40 0.00 2.02 1.84 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.69 7.81 77 A 9.38 4.06 1.38 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 78 L 8.82 3.88 0.00 1.82 1.74 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.11 4.07 1.39 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 80 L 8.37 4.44 0.00 1.71 1.76 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.93 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 0.00 0.00 0.00 82 I 7.07 4.67 1.89 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 1.31 1.54 0.93 0.00 0.00 83 K 8.84 4.42 0.00 1.74 1.43 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.43 7.81 84 Q 9.13 4.06 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.49 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 85 V 8.12 4.44 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 0.70 0.00 0.00 1.05 0.00 0.00 86 A 8.00 5.03 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 87 F 8.94 5.04 0.00 3.06 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 88 D 7.17 4.37 0.00 2.51 2.25 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 0.00 89 R 8.87 3.54 0.00 1.62 1.85 0.00 3.43 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 90 G 7.96 3.44 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 91 P 0.00 4.08 0.00 2.00 1.58 0.00 3.66 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.77 0.00 92 Y 7.87 3.96 0.00 3.15 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 93 K 7.51 3.09 0.00 1.85 1.79 0.00 1.64 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.35 7.81 94 Y 6.23 4.20 0.00 2.71 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 95 H 8.17 4.09 0.00 3.03 2.77 0.00 6.01 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.80 3.62 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 0.00 0.00 0.00 97 R 7.56 3.90 0.00 1.98 2.01 0.00 3.21 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 98 V 7.84 4.39 2.14 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 0.73 0.00 0.00 0.67 0.00 0.00 99 K 8.24 4.56 0.00 1.57 1.72 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.51 7.81 100 A 7.82 4.22 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 0.00 101 L 7.56 4.60 0.00 1.56 1.55 0.92 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 0.00 102 A 8.20 4.25 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 0.00 103 E 9.43 3.68 0.00 2.16 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 2.19 2.24 0.00 104 G 9.39 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 0.00 0.00 0.00 105 A 8.03 4.50 1.35 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 0.00 0.00 0.00 0.00 0.00 106 R 7.99 4.79 0.00 1.83 1.98 0.00 3.38 0.00 0.00 4.01 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 107 E 8.81 3.61 0.00 2.10 1.91 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 2.17 2.33 0.00 108 G 8.37 3.44 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 *109 G 7.69 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 * Residues marked with a * may have inaccurate shift predictions.