NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2926 8.3049 120.3406 55.3235 33.2830 175.2343 2 K 3.9324 8.0042 121.7294 54.9659 34.4411 175.6027 3 T 4.0878 8.4660 125.4201 61.7629 68.1865 176.2621 4 Y 4.3831 5.9904 126.4841 57.1910 37.2268 177.2928 5 V 4.0646 7.5555 119.4861 61.3313 32.8796 173.5394 6 P 4.8266 0.0000 0.0000 61.6877 34.0156 174.1987 7 K 4.6804 8.1819 115.4737 55.5815 36.1441 174.6817 8 Q 4.0811 8.0457 121.0080 56.2981 27.6474 179.6539 9 V 4.1388 8.1013 130.8734 62.4142 31.9790 174.8832 10 E 4.7369 8.4755 118.2174 53.3192 32.6959 173.5026 11 P 4.6638 0.0000 0.0000 63.6723 31.6412 175.7128 12 R 4.7171 8.4205 116.8498 56.1586 29.9640 174.8785 13 W 4.4811 8.7535 116.5426 56.5887 29.4892 176.1700 14 V 4.5606 8.0841 130.9324 62.3795 31.0661 176.0669 15 L 4.8783 7.7885 116.8825 54.7729 44.1492 173.2750 16 I 4.7941 7.7403 126.6227 59.6658 40.2423 174.3221 17 D 5.1844 8.8748 124.9058 52.9255 41.9604 177.2896 18 A 4.4680 7.9144 119.8017 51.2608 17.6447 179.9963 19 E 3.9184 9.8436 120.8577 60.6110 29.4743 178.9490 20 G 3.7624 8.0864 106.2918 46.6524 0.0000 173.2062 21 K 4.5265 7.7473 119.5921 54.2559 34.2970 176.3811 22 T 3.8023 8.3697 117.7534 63.7620 68.5085 174.4706 23 L 4.4099 7.7343 127.0937 56.4326 40.1288 175.1915 24 G 4.0120 8.2663 109.1747 46.3877 0.0000 176.0245 25 R 4.2812 7.7735 120.6263 58.2224 30.7314 178.4033 26 L 4.0241 8.3415 119.8070 57.8907 42.8403 178.3227 27 A 4.0190 8.4586 119.9814 57.1453 18.1663 179.5397 28 T 3.4573 9.2378 111.4883 66.4205 68.3624 175.9940 29 K 3.8148 8.2328 120.1938 59.9599 32.5299 179.4231 30 I 3.6096 7.6064 118.6730 63.6953 36.9739 177.0642 31 A 4.3017 8.0789 121.9672 53.9180 19.2632 179.0508 32 T 3.6523 7.6013 113.1222 66.9152 68.7038 176.1018 33 L 3.9510 8.1089 120.6406 57.1467 41.4445 179.0407 34 L 3.9733 7.1534 118.6871 57.6183 42.2733 176.8329 35 R 4.3017 8.3365 114.5250 54.3930 31.7396 175.1348 36 G 3.8750 7.9527 106.8061 43.6271 0.0000 173.3104 37 K 3.8058 8.1399 123.9906 55.5504 35.2316 176.1640 38 H 4.4638 8.1706 112.5125 57.4452 29.4287 175.4453 39 R 3.9263 6.7836 126.9998 54.0901 29.3789 173.4449 40 P 4.9076 0.0000 0.0000 63.3647 28.8995 175.0705 41 D 4.5739 8.2610 122.9041 55.2399 44.6696 176.4789 42 W 4.8081 7.6829 126.3592 56.6875 30.1955 176.3562 43 T 4.1883 8.4981 123.0375 67.6814 69.0153 174.6267 44 P 2.9700 0.0000 0.0000 64.3271 33.0357 178.3081 45 N 4.5823 7.6429 110.0670 53.8118 38.4283 174.8410 46 V 4.0011 8.9742 120.6008 61.6611 29.7455 176.6651 47 A 5.3700 8.9299 131.1263 52.7917 20.3031 177.4715 48 M 4.4625 7.7935 117.3438 54.8702 32.5295 175.7176 49 G 4.4413 8.1779 115.8173 45.2528 0.0000 172.1514 50 D 4.5835 7.5577 121.5206 54.3928 41.3230 177.4256 51 F 3.5632 9.1778 119.6443 59.0911 38.2400 177.1917 52 V 2.9499 6.7430 117.2549 61.3535 29.2710 173.5833 53 V 4.6189 7.8673 130.2870 60.9436 32.6709 174.3017 54 V 4.7643 8.0080 126.7742 62.2312 32.9556 174.5022 55 V 4.8659 8.0540 124.8688 61.4392 35.8005 173.2343 56 N 4.2940 8.5561 118.5766 54.6024 37.7318 174.8134 57 A 4.6453 7.8410 135.0000 49.0921 17.3984 179.4702 58 D 3.8782 9.7578 118.7286 57.0663 39.9525 175.2802 59 K 3.9612 7.9756 118.9372 58.1775 31.1621 176.1814 60 I 4.2111 9.3275 117.3884 62.2966 35.5139 174.8783 61 R 3.9132 8.2445 125.1088 55.3508 30.9872 177.4658 62 V 4.1408 7.8210 116.8015 60.1454 34.0447 176.6349 63 T 3.0910 7.6309 114.3103 65.1314 68.2534 172.2527 64 G 3.6303 7.8203 104.3461 45.0967 0.0000 177.9930 65 K 4.6017 8.5495 118.4923 54.7481 33.6280 176.4909 66 K 4.4078 7.6707 123.9796 55.4996 32.3255 178.0425 67 L 4.7218 7.0743 118.4886 54.1513 45.2883 177.7728 68 E 3.8620 9.0351 120.8713 57.1904 28.1023 174.8932 69 Q 4.3830 8.1982 116.6596 56.8809 30.6957 175.9729 70 K 4.3741 7.8983 120.1734 55.9979 33.2095 175.8233 71 I 5.3243 8.5161 127.4849 59.7755 41.0757 174.5555 72 Y 4.5112 9.7898 124.1207 56.8542 39.6187 177.0163 73 T 3.7598 8.8522 121.8177 66.7099 69.0208 177.0004 74 R 3.3421 8.0800 113.8403 57.9220 30.0514 176.1935 75 Y 4.7489 10.1991 112.6681 56.1841 41.4483 174.4524 76 S 4.3986 8.4681 117.3802 55.3019 62.0657 173.6170 77 G 3.6476 7.5773 110.8882 46.6339 0.0000 172.1852 78 Y 5.7088 7.1856 130.7159 57.1397 36.1563 172.2616 79 P 4.4659 0.0000 0.0000 65.0667 31.8301 175.7923 80 G 4.1194 7.5895 106.7539 45.5075 0.0000 173.7818 81 G 3.8705 7.7370 110.0142 44.3260 0.0000 173.8372 82 L 4.7458 8.3652 122.3603 53.7248 41.8700 175.3388 83 K 3.6205 7.9827 118.3269 56.8383 28.9249 174.2300 84 K 4.6945 8.2072 121.4978 55.7575 33.6013 176.6505 85 I 4.7097 8.9794 123.7903 58.9545 40.7859 173.0110 86 P 4.6985 0.0000 0.0000 62.3673 32.6569 176.5772 87 L 3.5213 8.8686 125.2020 59.1224 41.9599 179.0061 88 E 3.7346 7.5571 115.9796 59.8212 29.4212 179.2863 89 K 3.7467 7.7904 119.1926 60.1309 32.0599 178.6054 90 M 3.8506 7.5628 117.5712 58.7118 31.9419 178.3341 91 L 4.0070 7.6072 117.1252 57.8368 41.9123 178.8658 92 A 4.1146 7.9069 119.7923 54.4603 19.5993 178.0396 93 T 3.9695 7.8450 113.5245 61.4630 65.7217 171.6686 94 H 3.9196 8.0857 117.7668 54.8518 28.2629 173.7141 95 P 4.3951 0.0000 0.0000 65.0862 32.2218 178.4451 96 E 3.8656 8.5616 117.9382 59.9021 28.9427 179.4912 97 R 4.0032 8.1564 119.0550 59.8681 29.9938 178.1361 98 V 3.4793 8.1101 114.4943 66.4898 31.7826 177.3790 99 L 4.1108 7.9912 117.3950 58.8425 41.7543 178.8719 100 E 3.7838 8.2442 116.6429 61.0305 29.2200 178.6153 101 H 4.7150 10.0745 113.5490 56.6463 28.7845 175.7995 102 A 4.7781 8.2315 122.2994 51.6706 19.9165 177.3849 103 V 4.2859 8.2803 117.5715 64.1710 33.8058 177.7385 104 K 4.0470 8.7167 120.7069 59.6935 31.9677 178.4819 105 G 3.9528 8.1279 102.1973 46.6407 0.0000 173.2516 106 M 4.3610 8.2942 120.7081 56.3588 33.5203 176.5672 107 L 4.4674 7.2211 116.2632 54.3414 42.9208 175.9661 108 P 4.9642 0.0000 0.0000 61.6708 29.9021 179.4715 109 K 4.4449 8.2489 106.0326 53.8251 32.3071 173.5995 110 G 3.9442 7.6372 113.9462 43.5496 0.0000 169.5316 111 P 4.2568 0.0000 0.0000 65.7275 31.3967 177.6641 112 L 4.0595 8.2990 118.5471 58.4831 41.6878 178.7752 113 G 3.7336 8.0826 104.2389 48.0872 0.0000 174.6485 114 R 3.8669 8.7571 120.9173 59.6022 30.2344 177.9973 115 R 3.9982 8.8593 117.8670 59.5795 30.0263 178.8935 116 L 3.6927 8.5097 118.0010 58.1695 41.5260 179.3500 117 F 3.7652 8.5551 120.9499 61.6389 39.3002 177.4188 118 K 4.1682 8.5850 117.7130 59.0343 31.9089 178.5354 119 R 3.3900 7.6587 118.0430 58.9502 30.0730 176.7103 120 L 3.8813 7.3963 118.4531 55.6532 42.4692 175.8969 121 K 4.2672 8.0488 125.7689 54.7105 34.7330 175.8424 122 V 4.7527 7.6867 124.1960 60.7834 34.2649 173.8310 123 Y 4.8265 8.0312 120.4989 57.1752 42.9444 173.2546 124 A 4.3397 8.7786 121.1131 51.5060 20.5416 175.5729 125 G 3.9634 9.0651 109.6519 46.6782 0.0000 172.4250 126 P 4.4594 0.0000 0.0000 61.8444 32.6228 173.5938 127 D 4.4138 7.6103 114.8971 53.2694 42.2207 176.9738 128 H 4.5662 7.6418 121.2768 53.3322 28.5778 171.7086 129 P 4.6429 0.0000 0.0000 62.8453 29.7555 176.2042 130 H 5.5742 7.8889 133.5206 56.9294 28.3307 175.3794 131 Q 3.8044 8.1335 123.7773 56.1071 29.5370 176.6988 132 A 4.3491 7.8719 128.6735 49.2776 19.5199 173.9359 133 Q 3.8787 7.0575 118.2303 54.4208 30.2511 173.4035 134 R 4.7637 7.8611 126.6620 54.0259 29.7479 174.7290 135 P 4.2828 0.0000 0.0000 63.9803 32.3965 176.4799 136 E 4.4727 8.7660 126.4922 56.1652 30.4356 175.4449 137 K 4.5696 8.9354 127.5752 54.6747 35.6110 176.5958 138 L 4.3155 8.3064 123.7964 53.6263 40.2225 177.4580 *139 E 4.1515 8.0545 117.3630 55.9051 30.3597 176.5226 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 1 M 8.30 4.29 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 2 K 8.00 3.93 0.00 1.42 1.02 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.47 7.81 3 T 8.47 4.09 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 1.17 0.00 0.00 4 Y 5.99 4.38 0.00 2.90 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 5 V 7.56 4.06 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 0.84 0.00 0.00 0.96 0.00 0.00 6 P 0.00 4.83 0.00 2.26 2.13 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 7 K 8.18 4.68 0.00 1.80 1.71 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.47 7.81 8 Q 8.05 4.08 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 9 V 8.10 4.14 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 0.76 0.00 0.00 1.09 0.00 0.00 10 E 8.48 4.74 0.00 1.92 1.78 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 2.20 2.38 0.00 11 P 0.00 4.66 0.00 2.48 2.24 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 12 R 8.42 4.72 0.00 1.84 2.15 0.00 3.51 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 13 W 8.75 4.48 0.00 3.22 3.31 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 14 V 8.08 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 1.24 0.00 0.00 1.03 0.00 0.00 15 L 7.79 4.88 0.00 1.68 1.60 0.95 1.11 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 16 I 7.74 4.79 1.87 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 1.30 1.59 0.91 0.00 0.00 17 D 8.87 5.18 0.00 2.75 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 18 A 7.91 4.47 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 19 E 9.84 3.92 0.00 2.22 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 2.66 2.73 0.00 20 G 8.09 3.76 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 0.00 0.00 0.00 21 K 7.75 4.53 0.00 1.79 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.51 7.81 22 T 8.37 3.80 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 1.22 0.00 0.00 23 L 7.73 4.41 0.00 1.81 1.72 0.97 0.76 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 24 G 8.27 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 0.00 0.00 0.00 25 R 7.77 4.28 0.00 1.99 2.01 0.00 3.20 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 26 L 8.34 4.02 0.00 1.71 1.69 0.91 1.10 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 27 A 8.46 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 28 T 9.24 3.46 4.43 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 0.00 0.00 0.00 1.18 0.00 0.00 29 K 8.23 3.81 0.00 1.85 1.82 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 30 I 7.61 3.61 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.81 0.00 0.00 31 A 8.08 4.30 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 32 T 7.60 3.65 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 1.08 0.00 0.00 33 L 8.11 3.95 0.00 1.67 1.56 0.87 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.15 3.97 0.00 1.81 1.61 0.72 0.71 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 35 R 8.34 4.30 0.00 1.79 1.84 0.00 2.96 0.00 0.00 2.91 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.10 0.00 36 G 7.95 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 37 K 8.14 3.81 0.00 1.25 1.56 0.00 0.77 0.00 0.00 1.34 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.10 1.20 7.81 38 H 8.17 4.46 0.00 3.26 3.29 0.00 5.58 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 6.78 3.93 0.00 1.68 1.49 0.00 3.29 0.00 0.00 3.36 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.53 0.00 40 P 0.00 4.91 0.00 2.24 2.11 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 41 D 8.26 4.57 0.00 2.70 2.75 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 42 W 7.68 4.81 0.00 3.00 3.10 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 0.00 0.00 0.00 0.00 43 T 8.50 4.19 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 1.16 0.00 0.00 44 P 0.00 2.97 0.00 1.75 1.63 0.00 2.68 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.28 0.00 45 N 7.64 4.58 0.00 2.74 2.82 0.00 0.00 5.95 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 46 V 8.97 4.00 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 0.94 0.00 0.00 1.01 0.00 0.00 47 A 8.93 5.37 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 48 M 7.79 4.46 0.00 2.35 2.30 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 2.81 2.76 0.00 49 G 8.18 4.44 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 50 D 7.56 4.58 0.00 2.90 2.79 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 51 F 9.18 3.56 0.00 1.51 1.56 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 52 V 6.74 2.95 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 0.84 0.00 0.00 0.86 0.00 0.00 53 V 7.87 4.62 2.27 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 1.34 0.00 0.00 1.27 0.00 0.00 54 V 8.01 4.76 2.04 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 1.04 0.00 0.00 0.96 0.00 0.00 55 V 8.05 4.87 2.19 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 1.11 0.00 0.00 1.18 0.00 0.00 56 N 8.56 4.29 0.00 2.95 3.23 0.00 0.00 7.13 7.63 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 57 A 7.84 4.65 1.09 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 0.00 0.00 0.00 0.00 0.00 58 D 9.76 3.88 0.00 2.91 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.98 3.96 0.00 2.22 2.00 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.40 7.81 60 I 9.33 4.21 1.89 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 1.32 0.24 0.98 0.00 0.00 61 R 8.24 3.91 0.00 1.98 1.85 0.00 3.25 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 62 V 7.82 4.14 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 0.72 0.00 0.00 0.96 0.00 0.00 63 T 7.63 3.09 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 64 G 7.82 3.63 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 0.00 0.00 0.00 65 K 8.55 4.60 0.00 1.69 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.39 7.81 66 K 7.67 4.41 0.00 1.81 1.83 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.44 7.81 67 L 7.07 4.72 0.00 1.64 1.76 0.92 0.92 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 68 E 9.04 3.86 0.00 2.11 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 2.21 2.48 0.00 69 Q 8.20 4.38 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 70 K 7.90 4.37 0.00 1.96 1.78 0.00 1.60 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.74 1.96 7.81 71 I 8.52 5.32 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.10 1.00 0.00 0.00 72 Y 9.79 4.51 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 73 T 8.85 3.76 4.21 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 1.22 0.00 0.00 74 R 8.08 3.34 0.00 2.05 1.82 0.00 3.06 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 75 Y 10.20 4.75 0.00 3.02 2.80 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 76 S 8.47 4.40 0.00 3.79 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 77 G 7.58 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 0.00 0.00 0.00 78 Y 7.19 5.71 0.00 3.17 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 79 P 0.00 4.47 0.00 2.09 2.03 0.00 3.26 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.00 80 G 7.59 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 0.00 0.00 0.00 81 G 7.74 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 82 L 8.37 4.75 0.00 1.83 1.79 0.93 0.59 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 83 K 7.98 3.62 0.00 1.93 1.88 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.41 7.81 84 K 8.21 4.69 0.00 1.66 1.77 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.49 7.81 85 I 8.98 4.71 2.04 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 1.33 1.27 0.75 0.00 0.00 86 P 0.00 4.70 0.00 2.10 2.17 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 87 L 8.87 3.52 0.00 1.71 1.94 0.90 0.92 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 88 E 7.56 3.73 0.00 2.06 1.94 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 2.33 2.36 0.00 89 K 7.79 3.75 0.00 1.84 1.88 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.61 7.81 90 M 7.56 3.85 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.31 0.00 91 L 7.61 4.01 0.00 1.71 1.69 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.91 4.11 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 93 T 7.85 3.97 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 1.12 0.00 0.00 94 H 8.09 3.92 0.00 3.58 3.44 0.00 5.58 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 95 P 0.00 4.40 0.00 2.25 2.34 0.00 3.78 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 96 E 8.56 3.87 0.00 2.15 2.30 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 2.51 2.42 0.00 97 R 8.16 4.00 0.00 1.95 2.28 0.00 3.24 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.83 0.00 98 V 8.11 3.48 2.19 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 0.91 0.00 0.00 0.99 0.00 0.00 99 L 7.99 4.11 0.00 1.83 1.67 0.89 0.89 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 0.00 100 E 8.24 3.78 0.00 2.17 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 2.22 2.48 0.00 101 H 10.07 4.72 0.00 3.43 3.42 0.00 5.59 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.23 4.78 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 0.00 103 V 8.28 4.29 2.27 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 0.80 0.00 0.00 0.92 0.00 0.00 104 K 8.72 4.05 0.00 1.70 1.75 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.32 0.85 7.81 105 G 8.13 3.95 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 0.00 0.00 0.00 106 M 8.29 4.36 0.00 1.93 2.21 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 107 L 7.22 4.47 0.00 1.80 1.74 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.96 0.00 2.22 1.25 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 109 K 8.25 4.44 0.00 1.80 1.79 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.14 1.18 7.81 110 G 7.64 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 0.00 111 P 0.00 4.26 0.00 2.18 2.10 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 112 L 8.30 4.06 0.00 1.78 1.65 1.03 1.14 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 0.00 113 G 8.08 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 0.00 0.00 0.00 114 R 8.76 3.87 0.00 1.88 2.17 0.00 3.27 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 115 R 8.86 4.00 0.00 2.20 1.91 0.00 3.23 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 116 L 8.51 3.69 0.00 1.81 1.63 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.56 3.77 0.00 2.97 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 0.00 118 K 8.59 4.17 0.00 1.89 1.86 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.80 7.81 119 R 7.66 3.39 0.00 1.51 1.06 0.00 2.21 0.00 0.00 2.51 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.22 0.00 120 L 7.40 3.88 0.00 1.33 1.32 0.59 0.38 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 0.00 121 K 8.05 4.27 0.00 1.84 1.65 0.00 1.59 0.00 0.00 1.36 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.54 7.81 122 V 7.69 4.75 1.85 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 1.12 0.00 0.00 0.82 0.00 0.00 123 Y 8.03 4.83 0.00 2.96 2.87 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 0.00 124 A 8.78 4.34 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 0.00 125 G 9.07 3.96 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 0.00 0.00 0.00 126 P 0.00 4.46 0.00 2.21 2.16 0.00 3.78 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 1.99 2.01 0.00 127 D 7.61 4.41 0.00 2.68 2.68 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 0.00 0.00 0.00 0.00 128 H 7.64 4.57 0.00 3.46 3.51 0.00 5.48 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.64 0.00 2.14 2.08 0.00 3.54 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 130 H 7.89 5.57 0.00 3.47 3.52 0.00 5.52 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.13 3.80 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.27 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 132 A 7.87 4.35 1.01 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 0.00 0.00 133 Q 7.06 3.88 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.43 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 134 R 7.86 4.76 0.00 1.81 1.79 0.00 3.02 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 135 P 0.00 4.28 0.00 2.17 2.31 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.03 0.00 136 E 8.77 4.47 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 137 K 8.94 4.57 0.00 1.73 1.67 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.38 7.81 138 L 8.31 4.32 0.00 1.66 1.60 0.92 0.82 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 *139 E 8.05 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.