NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.6559 8.2448 119.0892 55.3659 30.3060 174.8645 7 E 3.9778 8.5121 121.0454 54.8529 30.3905 176.5782 8 S 4.2941 9.2421 120.0834 61.0819 65.0836 173.5177 9 A 5.2295 7.7615 119.7324 49.9008 22.3093 175.1997 10 L 4.7738 8.8535 119.3532 53.5391 46.7419 175.2654 11 T 5.0798 8.5251 118.3864 62.3253 71.6317 173.1096 12 T 4.7796 9.0756 120.3053 60.7337 71.5196 172.1255 13 S 5.2000 8.3735 114.6647 55.8953 67.7232 172.2629 14 P 4.5184 0.0000 0.0000 64.6254 31.7234 177.1190 15 G 3.9185 9.6827 112.5570 45.3447 0.0000 173.2060 16 E 4.7028 7.9646 119.4510 56.3380 31.3657 175.4554 17 T 5.5238 8.4735 116.6950 61.1861 70.9744 174.6519 18 V 4.5303 8.0419 123.6807 60.3264 35.3168 173.9443 19 T 4.8888 8.4030 118.5721 61.8372 71.3784 173.1675 20 L 4.8712 9.3021 127.2874 53.2458 44.2954 175.6654 21 T 5.3479 9.2766 112.0250 59.8591 72.4679 173.4414 22 C 4.6199 9.4184 122.1910 57.9944 31.0645 173.4460 23 R 4.0421 8.1846 117.8711 55.9274 31.0064 175.0593 24 S 4.7120 8.4090 115.9701 56.4840 63.7476 174.7617 25 S 3.8365 8.9912 123.5166 61.4149 62.7550 175.8338 26 T 4.2273 8.1862 109.9101 61.3180 69.9079 175.8291 27 G 3.8705 6.4182 107.9704 45.7287 0.0000 171.4417 28 A 4.1770 8.1134 125.6234 51.7676 19.1736 177.5884 29 V 3.9100 8.2870 122.3422 62.7832 32.3729 175.4170 30 T 4.6551 8.3899 116.7157 59.4179 71.6708 174.9872 31 T 3.8499 8.1394 110.6279 64.0087 68.7951 176.0631 32 S 3.6937 7.3213 115.4993 59.5587 63.2208 174.4850 33 N 4.4580 7.7222 117.7234 53.3571 39.2693 174.3620 34 Y 3.6886 6.9906 115.5169 57.8720 36.2324 171.8757 35 A 3.9623 7.6632 120.2611 53.0477 19.8170 177.8267 36 N 5.4865 8.6475 118.3537 51.1846 42.7904 173.5694 37 W 5.2852 9.4292 121.3520 55.0335 32.8462 174.5556 38 V 4.9539 10.3117 124.9198 61.1502 34.5647 173.6835 39 Q 4.5983 9.1416 129.4603 54.5141 30.9375 173.4845 40 E 4.4168 9.3002 128.8871 54.4400 31.4047 174.8321 41 K 4.6809 8.6253 127.1053 53.8783 34.6248 174.7045 42 P 4.3059 0.0000 0.0000 64.1365 31.9443 175.5735 43 D 4.4322 8.8148 117.0017 54.8476 39.5123 173.7107 44 H 3.8714 8.1433 110.5026 56.7642 26.0202 176.3186 45 L 4.5944 7.8289 120.1802 53.2847 42.7688 177.7349 46 F 4.9434 8.6783 122.2604 57.5285 40.5012 175.3328 47 T 4.6665 8.6522 115.7320 62.4847 73.3971 173.1359 48 G 3.7812 8.6964 112.3294 46.1239 0.0000 171.6280 49 L 4.7283 9.1248 122.6497 54.3801 44.4303 175.6435 50 I 4.7751 7.8035 118.5895 59.8690 41.1412 174.4077 51 G 4.3503 8.6547 111.1925 44.7818 0.0000 172.2914 52 G 4.3381 9.6798 105.8461 46.9459 0.0000 174.8912 53 T 3.8769 8.1123 120.0401 63.2263 67.5108 173.4786 54 N 5.3404 7.7601 113.3129 51.5498 38.3553 175.0029 55 N 4.7541 8.4419 119.2022 52.1590 37.5848 173.4613 56 R 4.3124 8.2619 122.0994 56.4410 31.3495 175.4718 57 A 4.6207 8.4298 127.6116 50.0749 20.9388 175.1084 58 P 4.4254 0.0000 0.0000 64.0691 32.1967 175.6422 59 G 4.2228 9.0538 114.0874 45.8246 0.0000 173.8410 60 V 3.5700 7.1799 121.8534 61.6907 31.1193 173.6930 61 P 4.2965 0.0000 0.0000 63.3250 31.2403 176.7924 62 A 4.3472 8.5757 121.7698 53.4287 18.5216 178.1936 63 R 4.1641 7.9032 112.8547 57.0930 30.9974 175.7681 64 F 4.9489 7.8490 119.9851 56.0668 40.2734 175.4461 65 S 4.7199 8.9293 118.6163 56.2913 66.2531 173.1387 66 G 4.7466 8.9644 110.0116 43.8211 0.0000 172.1075 67 S 5.0396 8.7798 119.8205 56.8851 67.5929 172.5060 68 L 4.7254 8.0339 118.9953 53.5599 42.1618 177.2975 69 I 4.2917 8.3509 126.3061 59.9406 38.9810 177.4641 70 G 3.9376 8.3437 118.0582 47.0411 0.0000 173.5869 71 N 5.1847 8.6093 119.3509 51.4111 38.5627 172.7281 72 K 4.8560 7.9060 116.0412 55.0154 37.6789 176.8821 73 A 4.6554 8.6839 124.9715 52.1381 20.0341 176.2731 74 A 5.2560 8.9951 120.8126 50.1767 23.3080 174.9415 75 L 4.2154 8.6314 123.2949 53.2842 44.5107 175.1973 76 T 4.9086 8.5553 123.5323 61.7249 71.7913 173.4477 77 I 4.1599 8.3867 127.6310 59.9484 38.8081 175.4492 78 T 3.8048 8.1977 126.0771 63.3832 68.1485 175.2122 79 G 3.7658 8.3031 116.6855 44.4824 0.0000 172.0188 80 A 3.8962 8.4958 122.8838 52.7688 19.6718 177.3416 81 Q 4.9252 9.4581 120.6622 54.0088 31.9145 177.1409 82 T 3.8751 8.6462 117.0614 67.0096 68.4479 176.3394 83 E 4.2040 8.1263 115.6818 58.0602 29.5416 176.9910 84 D 4.7655 8.1651 119.3541 55.3408 41.3425 176.0404 85 E 4.3314 8.3252 121.8324 56.5588 30.2285 175.8384 86 A 4.2268 8.2051 127.3901 52.1340 24.0698 174.1443 87 I 4.6849 7.8002 119.6906 60.3345 39.1011 175.0191 88 Y 5.0981 8.9263 125.2174 56.3159 39.7229 174.5851 89 F 5.4135 9.8575 124.1218 56.0329 41.0805 176.3312 90 C 4.8391 8.5085 117.2398 58.5373 30.6267 174.0384 *103 G 3.1431 7.6888 105.5158 45.9490 0.0000 172.3194 104 T 5.0489 8.9145 119.1550 60.4107 71.6788 173.6019 105 K 4.4766 9.1038 129.0959 55.7754 32.7320 174.9216 106 L 4.9258 8.8937 130.9987 54.3381 43.5946 175.1309 107 T 4.7119 9.0648 124.2270 62.2391 70.5953 174.1856 108 V 4.6202 8.6852 127.2730 60.8796 32.0130 175.1825 109 L 4.2453 8.5271 128.3453 54.9811 41.5696 176.2266 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 Q 8.24 4.66 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 7 E 8.51 3.98 0.00 2.19 1.89 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 2.42 2.45 0.00 8 S 9.24 4.29 0.00 3.91 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 9 A 7.76 5.23 1.20 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 10 L 8.85 4.77 0.00 1.57 1.49 0.91 0.62 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 11 T 8.53 5.08 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 12 T 9.08 4.78 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 1.22 0.00 0.00 13 S 8.37 5.20 0.00 3.93 3.65 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 14 P 0.00 4.52 0.00 2.02 2.00 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 15 G 9.68 3.92 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 0.00 0.00 0.00 16 E 7.96 4.70 0.00 1.98 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 2.29 2.33 0.00 17 T 8.47 5.52 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 1.13 0.00 0.00 18 V 8.04 4.53 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 0.73 0.00 0.00 0.86 0.00 0.00 19 T 8.40 4.89 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 1.14 0.00 0.00 20 L 9.30 4.87 0.00 1.28 1.62 0.73 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 T 9.28 5.35 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 1.25 0.00 0.00 22 C 9.42 4.62 0.00 2.78 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 23 R 8.18 4.04 0.00 1.92 1.92 0.00 3.25 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 24 S 8.41 4.71 0.00 3.84 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 25 S 8.99 3.84 0.00 4.01 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 26 T 8.19 4.23 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 27 G 6.42 3.87 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 0.00 28 A 8.11 4.18 1.24 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 0.00 0.00 29 V 8.29 3.91 2.10 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 0.85 0.00 0.00 1.03 0.00 0.00 30 T 8.39 4.66 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 31 T 8.14 3.85 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 1.19 0.00 0.00 32 S 7.32 3.69 0.00 3.87 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 33 N 7.72 4.46 0.00 2.86 2.86 0.00 0.00 7.22 7.06 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 34 Y 6.99 3.69 0.00 3.07 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 35 A 7.66 3.96 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 36 N 8.65 5.49 0.00 2.58 2.66 0.00 0.00 6.91 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 37 W 9.43 5.29 0.00 3.29 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 38 V 10.31 4.95 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 1.19 0.00 0.00 0.99 0.00 0.00 39 Q 9.14 4.60 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 1.88 1.19 0.00 40 E 9.30 4.42 0.00 1.16 1.66 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 0.00 1.73 1.47 0.00 41 K 8.63 4.68 0.00 1.60 1.63 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.48 7.81 42 P 0.00 4.31 0.00 2.01 2.01 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 43 D 8.81 4.43 0.00 2.80 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 44 H 8.14 3.87 0.00 3.30 3.42 0.00 5.92 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.83 4.59 0.00 1.51 1.60 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.68 4.94 0.00 2.88 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 47 T 8.65 4.67 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 48 G 8.70 3.78 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 0.00 0.00 0.00 49 L 9.12 4.73 0.00 1.89 1.44 0.68 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.80 4.78 2.12 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 1.37 0.82 1.19 0.00 0.00 51 G 8.65 4.35 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 0.00 52 G 9.68 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 0.00 0.00 0.00 0.00 53 T 8.11 3.88 4.32 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 1.29 0.00 0.00 54 N 7.76 5.34 0.00 2.80 3.10 0.00 0.00 6.43 8.04 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 55 N 8.44 4.75 0.00 3.03 2.86 0.00 0.00 6.62 8.26 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 56 R 8.26 4.31 0.00 1.88 1.89 0.00 3.66 0.00 0.00 3.67 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 57 A 8.43 4.62 1.25 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 0.00 0.00 58 P 0.00 4.43 0.00 2.07 2.01 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 59 G 9.05 4.22 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 0.00 60 V 7.18 3.57 2.39 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 0.82 0.00 0.00 1.02 0.00 0.00 61 P 0.00 4.30 0.00 2.41 2.32 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.29 0.00 62 A 8.58 4.35 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 63 R 7.90 4.16 0.00 1.91 2.08 0.00 2.81 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.87 0.00 64 F 7.85 4.95 0.00 2.93 2.98 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 0.00 0.00 0.00 65 S 8.93 4.72 0.00 3.81 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 66 G 8.96 4.75 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 0.00 0.00 0.00 67 S 8.78 5.04 0.00 3.88 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 68 L 8.03 4.73 0.00 1.66 1.68 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.35 4.29 1.89 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 1.25 1.20 0.91 0.00 0.00 70 G 8.34 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 71 N 8.61 5.18 0.00 2.71 2.77 0.00 0.00 6.62 6.94 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 72 K 7.91 4.86 0.00 1.70 1.72 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.42 7.81 73 A 8.68 4.66 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 74 A 9.00 5.26 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 75 L 8.63 4.22 0.00 0.27 0.13 0.71 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.56 4.91 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 1.13 0.00 0.00 77 I 8.39 4.16 1.60 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.88 0.49 0.00 0.00 78 T 8.20 3.80 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 1.14 0.00 0.00 79 G 8.30 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 80 A 8.50 3.90 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 81 Q 9.46 4.93 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 82 T 8.65 3.88 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 83 E 8.13 4.20 0.00 2.11 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 2.35 2.34 0.00 84 D 8.17 4.77 0.00 2.95 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 85 E 8.33 4.33 0.00 2.04 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 2.34 2.55 0.00 86 A 8.21 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.80 4.68 1.70 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 1.15 0.86 0.49 0.00 0.00 88 Y 8.93 5.10 0.00 3.00 3.13 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 89 F 9.86 5.41 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 C 8.51 4.84 0.00 1.65 1.18 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 0.00 *103 G 7.69 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 0.00 0.00 0.00 104 T 8.91 5.05 4.37 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 1.25 0.00 0.00 105 K 9.10 4.48 0.00 1.81 1.83 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.38 7.81 106 L 8.89 4.93 0.00 1.93 1.97 0.96 0.54 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 0.00 107 T 9.06 4.71 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 1.25 0.00 0.00 108 V 8.69 4.62 2.10 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 0.76 0.00 0.00 1.02 0.00 0.00 109 L 8.53 4.25 0.00 1.70 1.52 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.