NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 N 4.7297 8.2827 119.2202 53.6013 40.8103 176.2051 23 V 3.6522 7.7981 117.5851 65.1791 31.5048 176.2640 24 I 3.5596 8.6904 120.6037 64.8437 36.9302 176.7114 25 D 4.3734 7.6373 119.2381 58.5391 40.8228 178.9568 26 H 4.1444 8.2190 115.9438 58.5563 28.5651 177.8830 27 V 3.6514 7.5465 119.3866 65.1704 31.6621 177.7909 28 R 3.1767 8.8242 119.5143 59.0229 29.8908 177.7734 29 D 4.2599 7.9775 117.9856 58.0917 41.0305 178.7571 30 M 3.7772 7.7294 118.0207 58.5039 31.7248 178.8898 31 A 3.8722 7.3901 118.8632 55.8146 18.6879 178.7089 32 A 3.7286 7.9603 116.9011 55.2634 18.2814 178.9574 33 A 4.3666 7.5767 118.1053 52.9516 20.3936 178.1189 34 G 4.1500 7.3633 103.5847 44.9971 0.0000 173.0334 35 L 4.0670 7.9870 120.3291 54.5929 44.4678 177.2903 36 H 4.3893 8.1287 120.1778 58.0856 28.7498 177.6721 37 S 4.0978 8.2086 115.0329 61.8552 61.9301 175.6946 38 N 4.3355 8.1389 118.0482 56.6910 38.3000 177.5273 39 V 3.5725 7.4757 112.3310 64.3808 31.7245 178.7760 40 R 3.8799 8.2046 118.5916 59.4353 29.9164 178.5838 41 L 3.9796 7.6249 118.7458 57.6313 41.5898 179.2459 42 L 3.9443 8.1533 120.6720 58.3400 42.0967 179.2457 43 S 4.0888 8.3907 114.4998 61.2961 62.8467 176.3766 44 S 3.8157 7.9732 116.3243 61.0619 62.3380 175.7452 45 L 3.9458 8.1297 123.2816 58.2103 41.7883 178.9773 46 L 4.1150 8.1976 119.0108 57.7561 41.5636 179.1538 47 L 3.9362 7.9765 119.1548 58.3208 41.3913 179.8919 48 T 3.9319 8.1326 109.1895 64.5116 68.5168 176.3206 49 L 4.0816 7.7808 121.8614 57.5129 41.5839 178.9092 50 S 4.2730 8.5386 112.4712 61.7292 62.4875 175.9180 51 N 4.5048 8.2458 117.3535 55.6988 38.2654 176.3486 52 N 4.8756 7.4496 116.7681 53.3078 40.0599 174.6739 53 N 4.8691 8.0329 118.1481 49.9919 38.9762 173.0581 54 P 4.4909 0.0000 0.0000 64.2835 31.4711 177.3009 55 E 4.5743 7.7555 116.5663 55.9648 31.0183 176.5167 56 L 3.8207 8.1259 121.8647 57.5885 42.1285 176.9634 57 F 5.1310 7.6295 114.8135 55.7482 41.5577 175.9518 58 S 4.6872 10.4818 118.3338 56.8387 65.6434 173.2439 59 P 4.2199 0.0000 0.0000 65.7161 31.0786 176.7735 60 P 4.3289 0.0000 0.0000 66.0316 31.1747 178.6835 61 Q 4.0751 7.9139 116.1654 59.1093 28.6472 178.6802 62 K 3.7551 8.6041 119.7770 59.7469 31.9759 178.6152 63 Y 4.1645 8.2035 119.4788 60.8619 38.7977 178.0314 64 Q 3.1026 7.7242 118.7145 58.5818 28.7816 178.7437 65 L 3.8702 7.8069 121.2486 58.1000 42.0098 178.8109 66 L 3.8765 7.8990 119.0266 57.8666 41.5215 179.7356 67 V 3.4724 7.4853 117.9529 66.2758 31.4501 177.6393 68 Y 4.3700 7.8412 116.7716 61.3855 37.6859 178.1441 69 H 4.2151 9.0001 120.7329 58.4842 29.9834 177.0242 70 A 3.5525 8.0455 122.8953 55.1922 17.9777 178.9700 71 D 4.6235 8.4757 119.2228 57.0883 40.4860 179.7359 72 S 4.2286 8.0497 114.2496 61.3720 62.9629 176.1265 73 L 4.0364 8.3915 121.9611 56.1535 41.0246 178.4574 74 F 4.2326 7.7842 120.0661 60.1999 40.1190 176.6769 75 H 4.4170 8.6073 117.1576 58.2895 29.8714 175.2863 76 D 4.2485 7.4974 120.8339 54.1217 41.2411 178.2616 77 K 3.3375 8.1251 127.5572 56.0043 30.4500 179.8514 78 E 4.2476 7.2290 120.9073 55.1527 28.9029 176.2421 79 Y 4.1971 7.6121 121.3801 60.6344 38.4844 177.0566 80 R 3.9347 8.0633 119.1614 59.7171 30.2214 178.0091 81 N 4.2897 8.2171 115.3909 56.3615 38.4909 177.0298 82 A 3.8083 7.9372 121.7747 54.9640 18.4594 179.7280 83 V 3.5364 7.9552 116.7575 66.2490 31.5250 178.2094 84 S 4.1479 7.9593 114.6719 61.7646 62.7319 177.0197 85 K 3.9380 7.9334 120.7295 59.7199 31.2901 178.9955 86 Y 4.3556 8.0980 117.3673 61.5046 37.8391 179.0527 87 T 3.9741 8.1749 116.4786 66.9145 68.5375 176.5828 88 M 4.0483 8.2653 120.3543 58.3147 31.9531 178.3670 89 A 4.1660 8.4449 121.2810 55.6509 18.6085 179.6468 90 L 4.0257 8.4246 117.4448 57.9995 41.3827 179.9952 91 Q 3.9207 7.7511 117.0653 59.0235 29.1571 177.9214 92 Q 4.0865 8.2245 120.6562 59.1947 28.9747 178.4231 93 K 3.3508 8.1602 120.7248 59.4674 31.9351 178.9029 94 K 3.9874 7.7875 116.8279 58.3601 31.9612 177.8179 95 A 4.7017 7.4470 119.6418 51.8610 20.8810 177.7329 96 L 4.4763 7.7315 124.2439 56.0957 40.7230 178.9234 *118 L 4.1270 8.3657 126.9726 54.6045 42.4902 174.5794 119 P 4.1979 0.0000 0.0000 63.0866 32.0515 176.6558 120 S 4.2748 8.5584 117.0003 58.0827 63.9471 174.6369 121 E 4.0169 9.0390 128.9300 59.7328 29.2418 179.4273 122 I 3.7174 7.8804 119.5592 64.5302 37.2884 178.2187 123 E 3.9807 8.1880 118.8417 59.2412 29.1546 179.6576 124 V 3.3658 7.7523 118.1944 65.8699 31.4552 178.0524 125 K 3.8272 7.7374 116.9397 59.8523 32.1746 178.1035 126 Y 4.0587 8.0886 119.4522 60.8463 38.7812 178.2411 127 K 3.7845 8.0869 119.1160 59.5371 32.2396 179.0965 128 L 3.7671 7.6600 120.1350 57.6468 41.9292 178.7583 129 A 4.1721 8.1499 121.3266 54.6080 18.4167 179.3596 130 E 3.7338 7.5921 116.8147 60.0392 29.5320 178.6869 131 C 4.1371 8.0874 116.4426 62.9473 28.1376 175.4864 132 Y 4.4468 7.8108 117.3951 62.0448 37.5354 179.5884 133 T 3.8774 7.8819 116.2916 66.5713 68.3660 177.0983 134 V 3.4134 7.4479 119.0839 65.6639 31.5040 177.2711 135 L 4.2298 7.8156 115.6715 54.0508 41.6430 176.7313 136 K 3.9788 7.8082 117.4748 57.6638 30.9362 176.9621 137 Q 4.3669 8.0338 117.0481 54.2715 25.3674 175.1266 138 D 4.3203 7.7721 124.1591 57.6546 41.5987 179.0143 139 K 3.9786 7.8134 118.0642 59.4510 31.5848 178.9683 140 D 4.1071 7.7428 118.3453 56.5437 40.5892 178.4137 141 A 4.0437 7.6382 121.6608 55.1019 18.3713 179.2205 142 I 3.4386 8.1463 117.9716 64.8605 37.0329 177.9452 143 A 3.8904 7.3879 118.8865 55.6882 18.5429 179.1123 144 I 3.8266 7.5320 116.2519 64.8323 37.1897 178.7946 145 L 4.0735 7.5169 117.4971 57.7554 41.5681 178.8275 146 D 4.6619 8.4489 118.6844 56.9910 40.8590 178.3555 147 G 4.0178 7.7444 105.4632 45.6562 0.0000 173.0253 148 I 4.4297 7.7949 121.1136 58.1244 39.5216 173.9635 149 P 4.2111 0.0000 0.0000 63.0872 31.4805 177.4979 150 S 4.3418 8.6501 116.8237 60.1908 63.0801 174.9480 151 R 4.2982 7.8327 118.9821 57.2328 30.2073 177.0616 152 Q 4.5017 7.9250 116.7235 54.0336 29.5720 174.5158 153 R 4.4307 7.6215 115.6232 54.3660 33.4684 175.6931 154 T 4.0009 8.3429 113.6465 60.9196 69.5289 173.5861 155 P 4.5307 0.0000 0.0000 65.2914 30.9939 179.0598 156 K 4.0148 7.3655 116.1991 59.2352 32.1369 179.0586 157 I 4.1448 8.1774 120.4766 64.3604 37.0647 177.8201 158 N 4.2824 8.2429 116.8992 56.9516 38.2399 176.9483 159 M 4.0911 8.0316 118.7058 58.2038 32.0322 177.2957 160 L 4.1374 7.9898 119.2953 56.2035 42.2874 177.5356 161 L 4.2831 7.6030 116.5886 55.8645 42.0450 177.5545 162 A 4.2502 7.4511 121.8229 55.1422 18.6329 178.7791 163 N 4.5051 8.1978 112.2218 55.9097 38.9166 175.7169 164 L 4.2552 7.0287 116.9801 55.1015 42.8406 176.3999 165 Y 4.1611 8.3537 117.9362 58.4248 37.2341 169.3348 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 22 N 8.28 4.73 0.00 2.77 2.90 0.00 0.00 6.72 6.83 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 23 V 7.80 3.65 2.20 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 1.03 0.00 0.00 0.96 0.00 0.00 24 I 8.69 3.56 1.91 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.95 0.99 0.00 0.00 25 D 7.64 4.37 0.00 3.02 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 26 H 8.22 4.14 0.00 3.13 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.55 3.65 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 0.73 0.00 0.00 1.01 0.00 0.00 28 R 8.82 3.18 0.00 1.62 1.81 0.00 3.21 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.20 0.00 29 D 7.98 4.26 0.00 2.62 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 30 M 7.73 3.78 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.57 0.00 31 A 7.39 3.87 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 32 A 7.96 3.73 1.23 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 0.00 0.00 33 A 7.58 4.37 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 34 G 7.36 4.15 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 0.00 35 L 7.99 4.07 0.00 1.65 1.47 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.13 4.39 0.00 3.17 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.21 4.10 0.00 3.89 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 38 N 8.14 4.34 0.00 3.01 2.82 0.00 0.00 7.03 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 39 V 7.48 3.57 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 0.77 0.00 0.00 1.00 0.00 0.00 40 R 8.20 3.88 0.00 2.06 2.00 0.00 3.29 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 41 L 7.62 3.98 0.00 1.84 1.70 0.92 0.49 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 42 L 8.15 3.94 0.00 1.82 1.66 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.39 4.09 0.00 4.12 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 0.00 44 S 7.97 3.82 0.00 3.99 4.15 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 45 L 8.13 3.95 0.00 1.84 1.91 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.20 4.12 0.00 1.84 1.64 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.98 3.94 0.00 1.85 1.67 0.82 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.13 3.93 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 49 L 7.78 4.08 0.00 2.15 1.84 0.96 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.54 4.27 0.00 4.21 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 51 N 8.25 4.50 0.00 2.76 2.89 0.00 0.00 7.07 7.62 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 52 N 7.45 4.88 0.00 2.73 2.86 0.00 0.00 6.76 7.88 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 53 N 8.03 4.87 0.00 2.72 2.66 0.00 0.00 6.63 7.31 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 54 P 0.00 4.49 0.00 2.19 2.20 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 55 E 7.76 4.57 0.00 1.92 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 2.20 2.25 0.00 56 L 8.13 3.82 0.00 1.52 1.27 -0.37 0.53 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 57 F 7.63 5.13 0.00 3.11 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 58 S 10.48 4.69 0.00 4.10 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 59 P 0.00 4.22 0.00 2.20 2.17 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 60 P 0.00 4.33 0.00 2.21 2.19 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 61 Q 7.91 4.08 0.00 2.47 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 62 K 8.60 3.76 0.00 1.93 1.92 0.00 1.73 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.56 1.75 7.81 63 Y 8.20 4.16 0.00 2.96 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 64 Q 7.72 3.10 0.00 2.11 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.17 2.44 0.00 65 L 7.81 3.87 0.00 1.60 1.49 0.48 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.90 3.88 0.00 1.85 1.67 0.98 1.10 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 67 V 7.49 3.47 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.50 0.00 0.00 68 Y 7.84 4.37 0.00 3.04 2.83 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 69 H 9.00 4.22 0.00 3.24 3.38 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.05 3.55 0.20 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 71 D 8.48 4.62 0.00 2.98 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 72 S 8.05 4.23 0.00 4.07 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 73 L 8.39 4.04 0.00 1.68 1.63 0.79 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.78 4.23 0.00 3.19 3.33 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 75 H 8.61 4.42 0.00 3.26 3.37 0.00 6.01 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 76 D 7.50 4.25 0.00 2.82 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 3.34 0.00 1.46 1.22 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 1.30 7.81 78 E 7.23 4.25 0.00 1.93 1.77 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 2.13 2.17 0.00 79 Y 7.61 4.20 0.00 2.99 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 80 R 8.06 3.93 0.00 1.97 1.96 0.00 3.29 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 81 N 8.22 4.29 0.00 2.85 2.81 0.00 0.00 6.95 7.65 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 82 A 7.94 3.81 1.51 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 0.00 0.00 0.00 83 V 7.96 3.54 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 0.92 0.00 0.00 0.64 0.00 0.00 84 S 7.96 4.15 0.00 4.10 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 85 K 7.93 3.94 0.00 1.52 1.72 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.61 7.81 86 Y 8.10 4.36 0.00 3.02 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 87 T 8.17 3.97 4.47 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 1.27 0.00 0.00 88 M 8.27 4.05 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 89 A 8.44 4.17 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 90 L 8.42 4.03 0.00 1.95 1.78 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.75 3.92 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.90 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 92 Q 8.22 4.09 0.00 2.20 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 93 K 8.16 3.35 0.00 0.94 1.72 0.00 1.17 0.00 0.00 0.78 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 1.32 7.81 94 K 7.79 3.99 0.00 1.93 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.60 7.81 95 A 7.45 4.70 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 96 L 7.73 4.48 0.00 1.60 1.03 0.74 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *118 L 8.37 4.13 0.00 1.77 1.93 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.20 0.00 1.74 1.89 0.00 3.38 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.80 0.00 120 S 8.56 4.27 0.00 3.91 4.01 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 0.00 121 E 9.04 4.02 0.00 2.06 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 2.40 2.42 0.00 122 I 7.88 3.72 1.87 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 1.53 0.63 0.91 0.00 0.00 123 E 8.19 3.98 0.00 2.00 1.98 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 2.33 2.34 0.00 124 V 7.75 3.37 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 1.12 0.00 0.00 1.05 0.00 0.00 125 K 7.74 3.83 0.00 1.96 1.89 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.67 7.81 126 Y 8.09 4.06 0.00 3.03 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 0.00 127 K 8.09 3.78 0.00 1.09 1.24 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.59 7.81 128 L 7.66 3.77 0.00 1.53 1.70 0.70 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.15 4.17 1.23 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 0.00 0.00 130 E 7.59 3.73 0.00 2.02 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 2.19 1.61 0.00 131 C 8.09 4.14 0.00 3.12 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 0.00 132 Y 7.81 4.45 0.00 3.15 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 0.00 133 T 7.88 3.88 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 1.16 0.00 0.00 134 V 7.45 3.41 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 0.19 0.00 0.00 0.55 0.00 0.00 135 L 7.82 4.23 0.00 1.90 1.74 1.05 0.87 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 0.00 136 K 7.81 3.98 0.00 1.85 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.35 7.81 137 Q 8.03 4.37 0.00 2.19 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.39 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 138 D 7.77 4.32 0.00 2.67 2.62 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 0.00 139 K 7.81 3.98 0.00 1.68 1.76 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.45 7.81 140 D 7.74 4.11 0.00 1.87 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 0.00 141 A 7.64 4.04 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 0.00 142 I 8.15 3.44 1.68 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.52 0.73 0.00 0.00 143 A 7.39 3.89 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 0.00 144 I 7.53 3.83 2.05 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 1.82 1.46 0.96 0.00 0.00 145 L 7.52 4.07 0.00 1.74 1.78 0.93 1.56 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 0.00 146 D 8.45 4.66 0.00 2.81 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 0.00 147 G 7.74 4.02 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 0.00 148 I 7.79 4.43 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 0.95 0.00 0.00 149 P 0.00 4.21 0.00 2.17 2.02 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 150 S 8.65 4.34 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 R 7.83 4.30 0.00 1.83 2.00 0.00 3.16 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 152 Q 7.92 4.50 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 153 R 7.62 4.43 0.00 1.75 1.84 0.00 3.26 0.00 0.00 3.31 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 154 T 8.34 4.00 4.14 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 1.13 0.00 0.00 155 P 0.00 4.53 0.00 2.15 2.15 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 156 K 7.37 4.01 0.00 1.33 1.27 0.00 1.26 0.00 0.00 1.20 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.30 7.81 157 I 8.18 4.14 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.64 1.00 0.00 0.00 158 N 8.24 4.28 0.00 2.75 2.91 0.00 0.00 6.71 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 0.00 159 M 8.03 4.09 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 160 L 7.99 4.14 0.00 2.14 1.71 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.60 4.28 0.00 1.71 1.89 1.03 1.28 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 0.00 162 A 7.45 4.25 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 N 8.20 4.51 0.00 2.71 2.89 0.00 0.00 6.90 7.85 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 0.00 164 L 7.03 4.26 0.00 1.40 1.26 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 165 Y 8.35 4.16 0.00 3.05 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 * Residues marked with a * may have inaccurate shift predictions.