NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3037 8.1185 123.5886 51.7299 20.2363 177.6877 4 A 3.8227 8.3704 120.9179 54.4857 18.3000 178.1347 5 L 3.9144 8.1375 119.5941 58.1679 42.6271 178.1203 6 K 4.2141 8.0329 123.6733 59.7050 31.2233 182.4199 7 N 4.6717 8.4665 119.0385 56.7926 38.6241 176.0133 8 Y 4.1510 8.0567 119.8497 61.3279 39.2071 177.7632 9 Y 4.5355 8.0473 117.2954 60.8200 38.0291 177.4941 10 E 4.2344 8.8100 120.2612 58.3563 29.7208 178.7815 11 V 3.6267 7.5670 117.8081 66.2673 31.3541 177.1757 12 H 3.6812 8.1265 119.2651 59.7236 29.7272 177.6705 13 K 3.9898 8.3397 127.3643 60.8647 31.3650 180.9829 14 E 4.2493 8.2284 119.4279 60.7885 29.5358 181.0461 15 L 3.8748 7.6898 118.7735 57.8492 41.4907 179.5331 16 F 3.9674 7.8997 117.5424 60.0000 38.7977 177.7273 17 E 4.1264 8.3308 118.9655 59.1403 29.2274 179.3642 18 G 3.6139 7.8425 105.4957 47.7423 0.0000 175.7109 19 V 3.3408 7.3514 120.8107 65.6557 31.3988 177.7615 20 Q 4.0601 8.0600 119.1340 59.1361 28.8254 178.0676 21 K 3.9265 7.9462 120.1212 59.3498 32.2337 178.3672 22 W 4.0985 8.4052 128.3818 60.5509 30.7378 177.2130 23 E 4.3765 9.1734 119.7632 59.6631 29.0681 178.5570 24 E 3.9747 8.7472 119.4320 59.6830 29.6857 178.9059 25 T 3.8713 8.1256 116.0117 66.2123 68.3859 176.4662 26 W 3.9142 8.1632 130.6225 60.3207 30.4319 177.9220 27 R 3.6172 7.9438 118.5346 59.3480 29.6071 178.4775 28 L 3.9812 7.9054 118.6760 57.8281 41.6544 179.2217 29 F 4.2011 8.3865 120.7954 61.3097 39.2462 177.1823 30 L 3.3285 7.6879 119.0545 57.3370 41.2782 179.3017 31 E 3.7848 7.6943 117.6682 59.2864 29.4298 179.3124 32 F 3.9060 7.9470 118.4917 60.0771 38.9846 177.2506 33 E 3.7208 8.0953 118.7006 59.7676 29.0134 179.9010 34 R 3.9932 7.5626 116.3250 58.8840 29.9276 178.9198 35 K 4.0194 7.9430 118.3943 59.3149 31.7928 179.2063 36 A 4.2415 8.0733 120.4514 53.8735 18.2248 178.1212 37 S 4.5864 7.3026 109.2999 57.8806 63.5502 173.1254 38 D 4.5784 7.6411 119.9923 53.5811 41.5009 175.6696 39 P 4.6401 0.0000 0.0000 61.9435 29.9645 175.2903 40 N 4.7630 7.7264 114.2574 53.3853 43.0806 176.4933 *49 L 4.4634 7.8915 119.6454 54.9826 44.0373 178.6303 50 L 4.0507 8.0042 120.1872 58.3989 41.4939 180.0258 51 K 3.9374 8.0871 123.1260 59.8714 31.6119 180.6076 52 E 4.3233 8.1197 119.0585 59.5562 29.6569 178.8592 53 E 3.9656 8.5028 118.9878 59.5239 29.5034 179.5570 54 K 3.8887 8.2630 119.6260 59.4957 32.2672 178.7132 55 Q 3.7367 7.5423 119.8513 58.9308 28.7298 178.2540 56 R 3.8968 7.5847 118.7876 59.2344 30.1459 178.7907 57 A 4.2745 7.8302 121.6689 54.5649 18.3972 179.4491 58 K 3.8285 8.0417 118.0543 59.7742 32.1970 178.9760 59 L 4.0481 8.0363 119.1368 57.7068 41.1213 179.0553 60 Q 4.0837 8.4160 118.2161 59.1525 28.3806 179.5940 61 K 4.0279 8.0848 119.1187 59.4896 32.2000 179.1550 62 M 3.9646 8.0759 118.4785 58.5057 32.1397 178.2189 63 L 4.0651 8.4041 119.8191 57.4046 41.8627 177.8613 64 P 4.3287 0.0000 0.0000 65.4995 31.1782 178.6994 65 K 3.9768 7.6826 118.2779 59.3547 31.9682 179.1210 66 L 4.0740 8.1910 119.3628 58.0615 41.5555 179.5211 67 E 4.0906 8.5912 118.4943 59.2314 29.4705 178.9812 68 E 3.8966 8.4114 119.4424 59.3071 29.7565 178.5490 69 E 3.9144 8.1742 119.1980 59.2754 29.7181 178.4818 70 L 3.9047 8.3444 120.8290 57.8935 42.1395 178.6972 71 K 3.8734 8.3198 119.5429 59.4976 32.2398 178.6491 72 A 3.9954 7.8602 120.4136 55.2206 18.3260 179.8763 73 R 3.8643 7.9620 116.5986 59.3452 30.0526 179.2765 74 I 3.4481 7.9728 119.9453 64.4249 37.1274 178.2055 75 E 4.0133 8.2032 119.2038 59.6627 29.4654 179.5976 76 L 4.2777 7.8438 119.8248 56.7908 41.6027 179.5157 77 W 4.0256 8.2824 128.4788 60.5890 30.7367 177.8952 78 E 4.2586 8.6517 120.1305 59.1100 28.6551 179.5190 79 Q 3.9982 8.1716 118.0389 58.6980 28.5100 178.2322 80 E 3.9566 7.7141 119.3419 58.5328 29.8152 177.4407 81 H 4.3819 7.5985 113.1242 54.1266 30.1269 174.2954 82 S 3.7223 7.8313 114.9420 58.4914 61.3027 171.8477 83 K 4.6416 7.1936 116.1258 54.5664 36.3804 175.7583 84 A 4.4040 8.5403 124.2829 51.8281 19.1384 176.9829 85 F 4.5695 9.9307 125.6974 58.0542 40.3085 174.1187 86 M 4.8867 8.1304 125.7973 53.2818 34.9448 175.5302 87 V 4.1163 8.2560 123.1977 61.7714 33.3115 175.2628 88 N 4.3378 9.8119 127.0652 54.5412 35.9208 175.2010 89 G 3.9123 8.4891 101.2810 45.7004 0.0000 172.9657 90 Q 4.4475 7.7907 119.4645 52.5784 32.3290 174.5075 91 K 4.4208 8.6655 125.2924 56.2223 33.0699 177.7803 92 F 4.0884 8.9163 126.1636 61.6463 39.3888 177.0144 93 M 3.7880 8.0576 117.8547 58.2412 31.7290 178.4204 94 E 3.8637 8.0239 118.4142 59.2456 29.6009 178.4173 95 Y 4.0105 7.8097 119.5704 60.6688 38.8215 178.1880 96 V 2.4338 7.0781 118.9791 65.8053 31.4080 177.8774 97 A 4.0215 7.9247 120.3833 54.9298 18.1330 179.2283 98 E 3.8349 8.1587 117.9703 59.4203 29.6388 178.9657 99 Q 3.9105 7.7528 118.1462 58.7878 28.6563 178.8767 100 W 4.3346 7.8081 119.7376 59.9777 29.1257 178.1697 101 E 4.0594 8.5244 119.1057 59.5907 28.9571 178.6892 102 M 4.1215 8.6391 119.1901 58.7071 32.0481 178.2056 103 H 4.2660 8.7869 118.5574 59.2829 30.2173 177.1548 104 R 3.9691 8.5937 120.8912 59.6249 29.9046 178.5433 105 L 4.0530 8.1988 118.7430 57.6547 41.6213 179.1149 106 E 3.9197 8.5878 119.6595 59.0569 29.5872 178.5958 107 K 3.7976 8.4054 119.0337 60.0467 32.2367 179.1209 108 E 4.0497 8.1371 117.9190 59.0662 29.2932 179.5168 109 R 3.8603 8.0713 118.8980 59.1823 30.0987 178.2196 110 A 3.9769 7.9673 120.5895 55.2524 18.3740 179.7016 111 K 3.8760 7.9687 116.8098 59.7570 32.1736 179.3794 112 Q 3.9719 8.1230 119.7165 59.1991 28.9242 178.2181 113 E 3.9849 8.4094 119.7234 59.4622 29.3988 179.3769 114 R 3.9378 8.3304 118.5191 59.2107 30.0834 179.0117 115 Q 3.8980 8.2591 119.3173 59.0350 29.0719 177.8054 116 L 3.9787 8.0367 123.7965 58.7437 42.0774 179.5821 117 K 4.0067 8.1344 126.0055 60.5352 31.5285 180.9267 118 N 4.5070 7.8948 120.7946 57.2743 37.4371 178.9092 119 K 4.1806 8.6959 124.9705 59.7592 32.2475 179.6585 120 K 3.9654 8.3113 124.2600 59.9858 31.7005 180.5209 121 Q 4.1696 8.7821 121.6795 59.2157 28.9899 178.6149 122 T 3.8297 8.1524 117.0008 66.5402 68.5361 176.0406 123 E 3.9179 8.5403 121.5367 59.6472 29.6116 179.0302 124 T 4.1232 8.3206 118.2093 67.5396 68.4566 177.2497 125 E 4.2897 8.1264 120.3591 61.1496 29.8802 180.8810 126 M 4.4496 7.8803 117.2653 58.9684 31.5135 182.6761 127 L 4.4417 7.0425 115.4001 56.1401 43.3967 175.9776 128 Y 4.3963 8.3891 120.1994 58.1402 38.7999 175.0281 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 3 A 8.12 4.30 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 4 A 8.37 3.82 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 5 L 8.14 3.91 0.00 1.60 1.59 0.34 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.03 4.21 0.00 1.80 1.80 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.06 7.81 7 N 8.47 4.67 0.00 2.95 3.11 0.00 0.00 6.86 7.27 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 8 Y 8.06 4.15 0.00 2.82 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 9 Y 8.05 4.54 0.00 3.30 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 10 E 8.81 4.23 0.00 2.23 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 2.34 2.35 0.00 11 V 7.57 3.63 2.18 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 1.01 0.00 0.00 1.03 0.00 0.00 12 H 8.13 3.68 0.00 3.47 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.34 3.99 0.00 1.80 1.83 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.10 7.81 14 E 8.23 4.25 0.00 1.98 1.99 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 2.24 2.23 0.00 15 L 7.69 3.87 0.00 1.05 0.45 -0.47 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 16 F 7.90 3.97 0.00 3.12 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 17 E 8.33 4.13 0.00 2.19 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 0.00 2.35 2.34 0.00 18 G 7.84 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 19 V 7.35 3.34 1.99 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 0.67 0.00 0.00 -0.20 0.00 0.00 20 Q 8.06 4.06 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 21 K 7.95 3.93 0.00 2.07 2.11 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.58 7.81 22 W 8.41 4.10 0.00 3.63 3.58 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 23 E 9.17 4.38 0.00 2.69 2.31 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 2.57 2.66 0.00 24 E 8.75 3.97 0.00 2.24 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 2.33 2.38 0.00 25 T 8.13 3.87 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 26 W 8.16 3.91 0.00 1.78 2.55 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 27 R 7.94 3.62 0.00 2.07 2.06 0.00 3.12 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 28 L 7.91 3.98 0.00 1.93 1.82 0.96 0.92 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 29 F 8.39 4.20 0.00 3.04 3.05 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 0.00 0.00 0.00 0.00 30 L 7.69 3.33 0.00 1.37 1.24 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.69 3.78 0.00 1.89 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 0.00 2.26 1.92 0.00 32 F 7.95 3.91 0.00 3.01 3.02 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 33 E 8.10 3.72 0.00 1.60 1.74 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 1.47 1.47 0.00 34 R 7.56 3.99 0.00 1.64 1.88 0.00 3.11 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 35 K 7.94 4.02 0.00 1.88 1.78 0.00 1.25 0.00 0.00 1.18 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.32 7.81 36 A 8.07 4.24 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 37 S 7.30 4.59 0.00 3.97 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 38 D 7.64 4.58 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 39 P 0.00 4.64 0.00 2.07 1.99 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 40 N 7.73 4.76 0.00 2.67 2.63 0.00 0.00 6.90 7.79 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 *49 L 7.89 4.46 0.00 1.75 1.73 0.93 0.67 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 50 L 8.00 4.05 0.00 1.78 1.70 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.09 3.94 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.11 7.81 52 E 8.12 4.32 0.00 2.26 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 2.68 2.52 0.00 53 E 8.50 3.97 0.00 2.11 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 2.50 2.49 0.00 54 K 8.26 3.89 0.00 1.90 1.91 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.42 7.81 55 Q 7.54 3.74 0.00 1.67 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.56 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 56 R 7.58 3.90 0.00 1.98 2.00 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 57 A 7.83 4.27 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 58 K 8.04 3.83 0.00 1.89 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 59 L 8.04 4.05 0.00 2.12 1.77 1.04 0.99 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 60 Q 8.42 4.08 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.62 2.86 0.00 61 K 8.08 4.03 0.00 2.01 1.85 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.62 7.81 62 M 8.08 3.96 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 63 L 8.40 4.07 0.00 1.84 1.97 0.58 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.33 0.00 2.24 2.25 0.00 3.77 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 2.23 2.07 0.00 65 K 7.68 3.98 0.00 2.08 1.92 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.64 7.81 66 L 8.19 4.07 0.00 2.04 1.93 0.99 1.07 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 67 E 8.59 4.09 0.00 2.29 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 0.00 2.48 2.88 0.00 68 E 8.41 3.90 0.00 2.15 2.16 0.00 0.00 0.00 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 2.32 0.00 69 E 8.17 3.91 0.00 2.21 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 2.31 2.32 0.00 70 L 8.34 3.90 0.00 1.93 1.69 0.79 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.32 3.87 0.00 1.94 2.02 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 72 A 7.86 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 73 R 7.96 3.86 0.00 1.92 1.89 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 74 I 7.97 3.45 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.40 1.01 0.00 0.00 75 E 8.20 4.01 0.00 2.18 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 2.36 2.50 0.00 76 L 7.84 4.28 0.00 1.91 1.75 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 77 W 8.28 4.03 0.00 3.41 3.28 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 78 E 8.65 4.26 0.00 2.29 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 0.00 2.93 2.80 0.00 79 Q 8.17 4.00 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 80 E 7.71 3.96 0.00 1.95 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 2.26 2.01 0.00 81 H 7.60 4.38 0.00 1.92 2.77 0.00 5.86 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 82 S 7.83 3.72 0.00 3.88 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 83 K 7.19 4.64 0.00 1.70 1.73 0.00 1.71 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.57 7.81 84 A 8.54 4.40 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 85 F 9.93 4.57 0.00 3.19 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 86 M 8.13 4.89 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 87 V 8.26 4.12 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 1.01 0.00 0.00 -0.08 0.00 0.00 88 N 9.81 4.34 0.00 2.77 2.79 0.00 0.00 7.22 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 89 G 8.49 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 0.00 0.00 0.00 90 Q 7.79 4.45 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 91 K 8.67 4.42 0.00 1.99 1.78 0.00 2.03 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.39 7.81 92 F 8.92 4.09 0.00 3.02 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.06 3.79 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 94 E 8.02 3.86 0.00 2.16 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 2.34 0.00 95 Y 7.81 4.01 0.00 2.95 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.08 2.43 1.63 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 0.81 0.00 0.00 -0.88 0.00 0.00 97 A 7.92 4.02 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 98 E 8.16 3.83 0.00 2.20 1.93 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 2.30 2.22 0.00 99 Q 7.75 3.91 0.00 1.54 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.55 0.00 0.00 0.00 0.00 0.00 1.32 2.05 0.00 100 W 7.81 4.33 0.00 3.46 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 0.00 101 E 8.52 4.06 0.00 2.15 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 0.00 2.34 2.45 0.00 102 M 8.64 4.12 0.00 2.15 2.37 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.60 0.00 103 H 8.79 4.27 0.00 3.52 3.89 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.59 3.97 0.00 2.17 2.21 0.00 3.20 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 105 L 8.20 4.05 0.00 1.93 1.73 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.59 3.92 0.00 2.13 2.18 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 2.31 2.39 0.00 107 K 8.41 3.80 0.00 2.03 1.86 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.37 7.81 108 E 8.14 4.05 0.00 2.03 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 0.00 2.52 2.48 0.00 109 R 8.07 3.86 0.00 2.02 2.06 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 110 A 7.97 3.98 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 0.00 111 K 7.97 3.88 0.00 1.97 1.88 0.00 1.84 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.60 7.81 112 Q 8.12 3.97 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 113 E 8.41 3.98 0.00 2.20 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 2.33 2.51 0.00 114 R 8.33 3.94 0.00 2.00 1.98 0.00 3.12 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 115 Q 8.26 3.90 0.00 2.21 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 116 L 8.04 3.98 0.00 1.95 1.65 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 117 K 8.13 4.01 0.00 1.82 1.81 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.34 7.81 118 N 7.89 4.51 0.00 2.67 2.87 0.00 0.00 6.74 9.06 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 0.00 119 K 8.70 4.18 0.00 1.99 1.99 0.00 1.50 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.50 7.81 120 K 8.31 3.97 0.00 1.78 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.32 7.81 121 Q 8.78 4.17 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 122 T 8.15 3.83 4.41 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 1.21 0.00 0.00 123 E 8.54 3.92 0.00 2.11 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 2.32 2.36 0.00 124 T 8.32 4.12 4.31 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 1.38 0.00 0.00 125 E 8.13 4.29 0.00 2.09 1.87 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 2.26 2.19 0.00 126 M 7.88 4.45 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 127 L 7.04 4.44 0.00 1.39 0.26 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.39 4.40 0.00 2.87 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 * Residues marked with a * may have inaccurate shift predictions.