NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2582 8.1185 123.5814 51.6743 19.7875 177.4470 5 A 3.8117 8.5950 123.0349 55.2786 18.4438 178.6983 6 S 4.3342 8.1350 110.5287 60.3039 64.6295 174.9103 7 L 3.9393 7.8065 122.4024 57.9509 41.9634 178.6113 8 V 3.6689 7.9803 118.4125 66.0455 31.4013 178.3084 9 G 3.6137 7.8116 104.6279 46.8571 0.0000 175.2212 10 E 3.9350 8.2588 121.8973 59.2902 29.6938 179.0355 11 L 3.9868 8.0705 118.9222 57.9708 41.1933 179.6046 12 Q 4.0515 8.0993 117.6926 58.4996 28.6283 178.6591 13 A 4.0249 8.2406 122.4772 55.1844 18.5924 179.7245 14 L 4.0258 8.2802 117.8424 57.7796 41.6065 179.3147 15 D 4.3390 8.2897 118.1020 57.0648 41.0767 178.0767 16 A 4.0152 7.7641 121.0920 55.3943 18.3743 179.2941 17 E 3.9277 8.0483 116.5814 59.8790 29.5295 179.1144 18 Y 4.0431 7.9997 119.3193 60.7106 38.8542 178.1973 19 Q 3.9369 8.2167 118.9453 58.9486 28.8451 178.3308 20 N 4.2538 8.4237 117.7792 56.4132 38.6904 177.0393 21 L 3.8697 8.1466 121.6134 58.2235 42.0377 178.9618 22 A 3.8184 7.7221 120.4990 55.0363 18.2234 179.3437 23 N 4.2393 8.0713 114.9479 56.5233 38.5703 177.3582 24 Q 4.0047 8.0837 119.4136 59.2495 28.9502 178.7576 25 E 3.8018 8.1713 119.9098 59.4089 29.4601 178.6570 26 E 3.9682 8.2232 118.8738 59.2701 29.8214 178.5533 27 A 4.0112 8.7175 121.3231 55.1293 18.4254 179.5306 28 R 3.8637 8.9341 118.1570 59.6274 30.2380 178.5729 29 F 4.8605 8.1938 121.6284 60.9860 39.3622 176.8537 30 N 4.2271 8.6749 116.5399 56.2964 38.3143 177.2432 31 E 3.8952 8.2791 119.9740 59.5076 29.6545 179.3332 32 E 4.1103 8.1821 118.5911 59.0580 29.3851 179.4714 33 R 2.5100 7.3746 118.6301 58.7033 30.0359 178.2485 34 A 3.8309 7.7722 120.6230 55.4263 18.3136 179.6931 35 Q 3.8074 7.8667 116.1783 58.9457 28.6971 178.8726 36 A 3.8423 7.6151 121.8764 54.9943 18.3824 179.5232 37 D 4.1599 8.2115 117.7160 57.4278 40.9427 178.7995 38 A 3.9692 8.1478 121.2281 55.0032 18.2199 179.5972 39 A 3.9367 8.0671 119.5168 55.0752 18.3806 179.9695 40 R 3.8381 8.0601 116.6713 59.5762 30.1917 179.3146 41 Q 3.9319 7.9032 116.8763 58.9276 28.6633 178.6273 42 A 3.9662 7.8740 121.7148 55.0694 18.4073 179.3719 43 L 4.0483 8.4087 120.0190 57.7664 41.9637 178.9240 44 A 4.0132 8.2309 120.8923 55.3936 18.1569 179.7434 45 Q 3.9610 8.0984 116.3633 59.2604 28.8259 178.5817 46 N 4.3582 8.5070 117.6157 56.0364 38.5667 177.4129 47 E 3.9585 8.1922 120.3076 59.4037 29.1554 178.8257 48 Q 3.9789 7.7392 119.3487 59.3873 29.0631 178.7154 49 V 3.6135 8.0992 119.3555 66.0237 31.4843 177.1884 50 Y 4.0049 8.4358 119.6064 60.8350 38.6365 177.5191 51 N 4.2985 8.0786 118.2131 55.6265 38.6665 176.9296 52 E 3.8263 7.7638 119.4736 59.4108 29.7796 178.9002 53 L 3.7083 7.9683 119.3118 57.4323 41.2454 179.7856 54 S 3.7959 8.3411 114.8202 61.5104 63.0516 176.6212 55 Q 3.8939 8.1873 122.4549 58.4406 28.2648 178.8058 56 R 3.7569 8.1676 119.9189 59.0693 29.8454 178.2691 57 A 3.9721 7.6152 120.2383 54.2641 18.2373 179.6478 58 Q 4.0075 7.7069 117.0009 59.1033 29.1655 178.6469 59 R 3.9276 7.9945 118.8696 59.1399 29.7610 179.1484 60 L 4.2590 7.4726 118.4586 57.6262 41.7613 178.7531 61 Q 4.1609 7.6822 117.1645 58.8976 29.1113 177.5212 62 A 4.1504 8.2722 121.4651 54.2316 18.9080 178.1030 63 E 4.5192 7.5691 115.6251 55.2673 30.2123 174.8036 64 A 4.1807 7.4442 120.1619 52.0431 22.1608 177.4361 *71 S 4.3100 7.9861 111.5442 58.8526 62.9953 173.9828 72 Q 4.0944 8.1498 129.5163 59.4069 29.2403 176.4790 73 Y 3.9615 8.1474 117.7897 61.0238 38.1861 177.4684 74 Q 4.2253 8.1514 117.9970 57.8778 28.9967 178.0142 75 E 3.9092 7.8810 120.7811 59.2935 29.7672 178.4947 76 L 4.0162 7.8151 119.5794 57.4256 42.1874 178.6167 77 A 4.0461 7.8428 120.7418 55.5147 18.4188 179.7777 78 S 4.1613 8.0010 112.8730 61.6482 62.4009 177.2737 79 K 3.9977 7.8587 120.9557 59.5667 31.6698 178.7878 80 Y 4.1976 8.3235 116.5329 60.1810 37.9135 177.9448 81 E 4.0493 8.0554 120.0407 59.2347 29.7837 178.4153 82 D 4.3420 8.1844 117.9367 57.1961 41.1663 178.1011 83 A 4.0075 7.7220 120.5901 55.3047 18.3600 179.3087 84 L 4.0890 7.7143 117.5274 58.2882 41.7719 180.0496 85 K 3.9430 8.0795 117.7495 59.3564 31.9830 179.5991 86 K 3.9775 7.9180 118.2352 59.5217 32.0575 179.1897 87 L 4.0275 8.6930 121.2833 58.1813 41.9765 178.6435 88 E 3.7740 9.0029 119.9112 58.9207 29.6216 178.6289 89 A 3.9955 8.0836 121.0995 54.8153 18.3880 179.2631 90 E 3.8422 8.2558 117.8997 59.8701 29.9498 179.0776 91 M 4.2191 7.9911 118.5141 58.2989 31.9102 178.5878 92 E 4.0248 8.0220 118.9287 59.0465 29.6366 178.9325 93 Q 3.9986 8.0420 119.6628 59.1432 28.6480 178.1004 94 Q 4.0134 8.2651 119.2237 58.7610 28.7138 178.8112 95 K 4.0096 8.0525 119.1453 59.1670 32.0466 179.2538 96 A 3.9805 7.7633 120.7172 55.1180 18.3249 179.7577 97 V 3.5413 7.9013 116.7391 66.2125 31.5989 178.2222 98 I 3.7327 7.7575 119.4327 64.4850 37.0415 178.4189 99 S 4.0998 8.5879 114.1567 61.6009 62.1943 175.7466 100 D 4.4086 8.7222 121.9308 57.5547 40.5791 178.7197 101 F 4.2627 8.4183 120.9217 60.9510 39.3817 177.2435 102 E 3.8686 8.0615 118.2257 59.0419 29.2402 179.3141 103 K 3.9225 7.9571 118.4650 59.6239 32.1824 179.5089 104 I 3.7275 7.4861 119.6357 64.2725 36.8416 178.6362 105 Q 3.9232 7.5496 118.5064 58.6718 28.5047 178.3958 106 A 3.9265 7.8099 121.7017 55.1464 18.3884 179.4210 107 L 3.8271 7.9182 117.4299 57.8989 41.7444 179.2965 108 R 3.6847 7.8956 118.0515 59.7707 30.0420 178.0327 109 A 4.0005 8.2856 120.5451 55.1893 18.1911 179.6873 110 G 3.5470 8.2959 104.3409 48.1731 0.0000 175.5215 111 N 4.2774 8.4185 119.6948 56.0138 38.3257 177.5797 112 L 3.9474 7.6616 119.2073 57.4896 41.7800 178.8727 113 E 3.9946 7.8585 119.1850 59.4198 29.4096 178.5362 114 H 4.2932 7.8377 116.4504 59.1177 28.5986 177.0849 115 H 4.6153 7.7411 116.1054 57.6625 28.7340 176.8861 116 H 4.6071 7.9388 117.0376 57.0369 29.0077 174.9603 117 H 4.6043 7.6822 121.8295 54.4757 28.7521 173.8443 118 H 4.2768 8.5169 123.9077 55.9803 29.7162 175.0002 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 A 8.12 4.26 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 5 A 8.59 3.81 1.34 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 6 S 8.13 4.33 0.00 3.90 3.91 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 7 L 7.81 3.94 0.00 1.75 1.84 0.91 0.91 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 8 V 7.98 3.67 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 1.00 0.00 0.00 1.00 0.00 0.00 9 G 7.81 3.61 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 0.00 10 E 8.26 3.93 0.00 2.25 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 0.00 2.31 2.36 0.00 11 L 8.07 3.99 0.00 1.87 1.68 0.90 0.77 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 12 Q 8.10 4.05 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 13 A 8.24 4.02 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 14 L 8.28 4.03 0.00 1.81 1.74 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.29 4.34 0.00 2.90 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 16 A 7.76 4.02 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 17 E 8.05 3.93 0.00 2.27 2.07 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 2.36 2.54 0.00 18 Y 8.00 4.04 0.00 3.11 3.21 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 19 Q 8.22 3.94 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 20 N 8.42 4.25 0.00 2.83 2.86 0.00 0.00 6.70 6.43 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 21 L 8.15 3.87 0.00 1.74 1.76 0.92 1.13 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 22 A 7.72 3.82 1.15 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 23 N 8.07 4.24 0.00 2.92 2.87 0.00 0.00 7.04 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 24 Q 8.08 4.00 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 25 E 8.17 3.80 0.00 2.07 2.17 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 2.25 2.43 0.00 26 E 8.22 3.97 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 2.51 2.40 0.00 27 A 8.72 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 28 R 8.93 3.86 0.00 2.08 2.03 0.00 3.30 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 29 F 8.19 4.86 0.00 3.32 3.32 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 30 N 8.67 4.23 0.00 2.93 2.83 0.00 0.00 7.04 7.78 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 31 E 8.28 3.90 0.00 2.27 1.97 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 2.31 2.48 0.00 32 E 8.18 4.11 0.00 2.26 2.17 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 2.38 2.56 0.00 33 R 7.37 2.51 0.00 1.41 1.76 0.00 3.09 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.26 0.00 34 A 7.77 3.83 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 35 Q 7.87 3.81 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 36 A 7.62 3.84 0.81 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 37 D 8.21 4.16 0.00 2.68 2.64 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 38 A 8.15 3.97 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 39 A 8.07 3.94 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 40 R 8.06 3.84 0.00 1.99 1.98 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 41 Q 7.90 3.93 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 42 A 7.87 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.41 4.05 0.00 1.79 1.98 0.89 1.01 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 44 A 8.23 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 45 Q 8.10 3.96 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 46 N 8.51 4.36 0.00 2.90 2.89 0.00 0.00 7.08 8.11 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 47 E 8.19 3.96 0.00 2.18 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 2.63 2.46 0.00 48 Q 7.74 3.98 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 49 V 8.10 3.61 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 1.06 0.00 0.00 0.98 0.00 0.00 50 Y 8.44 4.00 0.00 3.11 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 51 N 8.08 4.30 0.00 2.83 2.88 0.00 0.00 6.22 6.95 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 52 E 7.76 3.83 0.00 2.20 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 2.27 2.33 0.00 53 L 7.97 3.71 0.00 1.95 1.55 0.91 0.86 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 54 S 8.34 3.80 0.00 3.67 3.23 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 0.00 55 Q 8.19 3.89 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 56 R 8.17 3.76 0.00 1.66 1.64 0.00 2.31 0.00 0.00 2.95 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.42 0.00 57 A 7.62 3.97 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 58 Q 7.71 4.01 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 59 R 7.99 3.93 0.00 1.83 1.99 0.00 3.08 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 60 L 7.47 4.26 0.00 1.58 1.75 1.01 0.65 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 61 Q 7.68 4.16 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 62 A 8.27 4.15 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 63 E 7.57 4.52 0.00 2.21 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 2.29 2.46 0.00 64 A 7.44 4.18 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 *71 S 7.99 4.31 0.00 4.09 4.12 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 0.00 0.00 0.00 72 Q 8.15 4.09 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 73 Y 8.15 3.96 0.00 3.05 3.18 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 74 Q 8.15 4.23 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 75 E 7.88 3.91 0.00 2.22 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 0.00 2.30 2.31 0.00 76 L 7.82 4.02 0.00 1.72 1.61 0.74 1.48 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 77 A 7.84 4.05 1.54 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 0.00 0.00 78 S 8.00 4.16 0.00 3.92 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 79 K 7.86 4.00 0.00 1.86 1.70 0.00 1.57 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 80 Y 8.32 4.20 0.00 3.24 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 81 E 8.06 4.05 0.00 2.25 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 2.60 2.49 0.00 82 D 8.18 4.34 0.00 2.74 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 83 A 7.72 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 84 L 7.71 4.09 0.00 1.93 1.97 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.08 3.94 0.00 2.00 1.89 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.66 7.81 86 K 7.92 3.98 0.00 2.03 1.87 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.61 7.81 87 L 8.69 4.03 0.00 1.90 2.03 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.00 3.77 0.00 2.07 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 2.25 2.30 0.00 89 A 8.08 4.00 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 90 E 8.26 3.84 0.00 2.07 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 2.30 2.34 0.00 91 M 7.99 4.22 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 92 E 8.02 4.02 0.00 2.14 1.97 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 2.61 2.42 0.00 93 Q 8.04 4.00 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 94 Q 8.27 4.01 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.69 0.00 95 K 8.05 4.01 0.00 1.97 1.85 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.60 7.81 96 A 7.76 3.98 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 97 V 7.90 3.54 2.21 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 1.00 0.00 0.00 0.99 0.00 0.00 98 I 7.76 3.73 2.08 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 1.40 1.14 0.95 0.00 0.00 99 S 8.59 4.10 0.00 3.94 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 0.00 100 D 8.72 4.41 0.00 2.78 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 0.00 101 F 8.42 4.26 0.00 3.14 3.27 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 0.00 102 E 8.06 3.87 0.00 2.24 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 2.37 2.58 0.00 103 K 7.96 3.92 0.00 1.98 1.84 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.63 7.81 104 I 7.49 3.73 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 1.55 0.93 1.07 0.00 0.00 105 Q 7.55 3.92 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 1.51 0.00 106 A 7.81 3.93 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 0.00 107 L 7.92 3.83 0.00 1.81 1.68 0.91 0.61 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 0.00 108 R 7.90 3.68 0.00 1.72 1.82 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.34 0.00 109 A 8.29 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.30 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.42 4.28 0.00 2.79 2.81 0.00 0.00 7.10 6.31 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 0.00 112 L 7.66 3.95 0.00 1.72 1.69 0.84 0.80 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 0.00 113 E 7.86 3.99 0.00 2.13 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 2.17 2.20 0.00 114 H 7.84 4.29 0.00 3.22 3.32 0.00 5.67 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 0.00 115 H 7.74 4.62 0.00 3.14 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.94 4.61 0.00 3.29 3.66 0.00 5.54 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.68 4.60 0.00 3.08 3.45 0.00 5.77 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.52 4.28 0.00 3.12 3.19 0.00 6.01 0.00 0.00 0.00 0.00 6.91 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.