NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.2955 8.3033 121.5035 55.8997 32.0044 177.5162 10 R 3.9462 7.9314 117.6394 57.7164 30.3774 176.5375 11 D 4.4383 8.3822 117.8042 57.3341 41.5883 177.7074 12 L 3.4835 7.7766 120.3583 57.7165 42.0177 178.6126 13 L 3.9979 7.6135 119.1271 57.8942 41.5454 179.6436 14 V 3.7038 7.7692 117.8102 66.2294 31.6007 177.8597 15 E 4.0404 8.3075 118.2286 59.4052 29.1739 179.4759 16 L 3.9714 8.1127 119.1620 57.6568 41.7314 179.6067 17 W 4.8900 8.4310 120.2810 59.2997 28.7358 178.7785 18 K 4.1210 8.4303 117.7069 59.0803 31.5706 178.2838 19 A 4.4346 7.6716 117.9156 52.1474 18.6718 177.8619 20 G 3.7720 8.0871 106.1456 45.0766 0.0000 173.3371 21 F 4.4650 8.2457 118.5938 55.5291 41.0972 174.9863 22 A 2.5800 8.1305 125.2298 50.7393 19.2251 176.3052 23 A 5.1396 7.3557 123.8096 50.1103 22.5681 175.0310 24 I 4.8264 8.7101 113.4126 59.1278 41.3902 174.7947 25 R 4.7272 8.5854 122.4746 55.7535 31.2723 176.0172 26 V 3.6345 8.3233 123.2254 62.9056 31.9585 174.3965 27 A 3.8528 8.9204 132.2583 53.9882 18.3911 177.0795 *32 S 4.2000 8.0314 107.9537 56.0798 64.1034 173.1510 33 P 4.1008 0.0000 0.0000 64.4675 31.1776 176.3909 34 F 5.1934 7.0392 113.9664 54.4049 41.9785 173.3559 35 P 4.5025 0.0000 0.0000 63.1981 31.7428 175.9735 36 C 4.0441 8.0806 114.8608 56.4713 31.9926 172.3552 37 P 4.4761 0.0000 0.0000 62.1269 33.1038 174.8917 38 D 4.5952 8.5162 116.5697 56.4571 42.1728 177.2925 39 I 4.9945 7.4267 117.3042 59.3817 41.8130 174.6095 40 V 4.7907 8.5159 124.8641 61.1317 34.6091 174.1708 41 A 5.1398 8.9180 127.5192 50.7035 23.1281 175.0179 42 G 4.4896 9.1260 105.7802 44.8509 0.0000 173.1454 43 N 4.6548 8.4149 117.7485 51.8770 37.8649 175.3014 44 G 3.9228 8.1634 108.6863 45.4220 0.0000 174.3018 45 R 4.2936 7.7227 116.3272 57.3971 32.1329 175.5421 46 T 4.6533 8.3133 114.4071 61.6959 71.0931 172.5994 47 Y 5.3689 8.4850 122.0233 56.2299 41.8590 174.4527 48 L 5.3953 9.3794 122.2827 52.8653 45.8739 175.2869 49 A 5.0759 9.1975 124.8573 50.2480 21.7908 174.9965 50 I 5.0110 8.6358 123.5591 59.6613 40.8069 174.3404 51 E 4.8048 9.0866 128.4145 54.9873 31.1578 174.5955 52 V 4.7828 9.0772 127.8034 61.2806 33.2616 175.0450 53 K 4.8235 9.5326 126.9461 54.8980 36.1720 175.0157 54 M 5.1370 8.7918 123.1885 53.6672 34.6725 175.2450 55 R 4.6837 8.5728 121.1789 54.4476 34.5779 176.6810 56 K 3.9499 8.8201 121.0573 59.1235 32.5076 176.8913 57 E 4.5548 7.3365 113.3495 55.1058 31.6663 174.6278 58 L 4.2755 7.9890 119.6429 53.8509 42.7590 175.0738 59 P 4.5836 0.0000 0.0000 62.0036 32.8336 175.3242 60 L 4.4238 8.3022 123.9384 54.2564 43.5045 174.7427 61 Y 5.0889 8.6084 123.6642 56.4530 39.9723 174.9634 62 L 5.0583 8.9994 123.6014 52.6811 45.5810 176.7180 63 S 4.6132 8.7652 117.0053 57.7839 64.1985 174.9719 64 A 4.4435 8.8123 123.8475 55.7322 18.0080 179.9273 65 D 4.3489 8.1387 116.8664 57.4546 40.9829 178.4687 66 E 3.9108 8.3730 119.8052 59.3390 29.6304 179.0955 67 V 3.4868 7.7557 118.1593 65.8622 31.4295 177.8038 68 E 3.9558 8.5718 118.8127 59.4925 29.2995 179.1423 69 Q 3.9881 8.3558 119.7396 59.0290 29.0453 177.9956 70 L 3.9663 8.0422 121.3944 58.2708 42.0695 179.2039 71 V 3.6106 8.0406 118.3190 66.1993 31.4570 178.1888 72 T 3.8938 8.2634 115.8280 66.4778 68.2844 176.4562 73 F 4.0449 8.5350 122.4341 61.2560 39.4194 176.9671 74 A 4.1100 8.4629 120.6171 55.2486 17.3156 179.5874 75 R 3.9225 8.4348 117.6629 59.5089 29.9368 179.0685 76 G 3.6855 7.8522 104.5591 47.6904 0.0000 175.2464 77 F 3.8698 8.0743 122.7399 58.4020 40.4923 175.3400 78 G 3.6192 8.3112 104.9189 45.5279 0.0000 171.3195 79 A 5.1493 8.1673 118.1115 50.3845 23.6826 176.7204 80 E 4.5717 9.4230 118.8885 55.3000 31.0522 175.7477 81 A 4.9336 8.4790 126.1104 51.6009 20.3829 175.7299 82 Y 4.9110 9.0915 119.5582 56.2488 42.9649 174.4111 83 V 4.7835 9.1523 122.7891 61.4293 33.8060 174.1638 84 A 5.0284 9.0164 130.2063 50.1563 21.3156 175.1022 85 L 5.2928 9.3792 124.9881 53.1045 45.5277 174.8515 86 K 4.3156 8.6390 127.5383 54.3905 34.3331 174.8120 87 L 5.2323 7.9672 126.1628 51.0895 45.2038 174.2448 88 P 4.2769 0.0000 0.0000 64.3679 31.6200 177.0658 89 R 4.0177 8.7878 119.8745 56.3104 27.4929 175.9416 90 K 4.7177 7.4960 116.2106 54.0191 35.2834 176.4636 91 K 4.2340 8.4334 120.8544 55.7717 32.7310 176.9852 92 W 4.4117 8.7262 120.7510 57.7791 29.6604 175.7540 93 R 4.9095 9.0259 122.2063 54.3920 33.2583 174.4914 94 F 5.2674 9.2620 121.7708 55.6979 42.0638 174.4757 95 F 5.0852 9.6853 122.3483 54.8938 41.8109 173.4170 96 P 4.2167 0.0000 0.0000 61.4613 32.0355 177.7537 97 V 3.4784 8.2021 120.3592 66.2216 31.4591 178.0162 98 Q 4.2509 7.8553 116.5494 57.9312 28.7959 176.9260 99 M 4.3063 7.9920 117.5889 57.5361 32.4012 177.0365 100 L 4.1968 7.4960 118.5547 54.7644 42.6322 176.7163 101 E 4.2449 9.0097 124.3736 55.8626 30.9758 175.1624 102 R 4.3159 8.6146 128.0531 55.5067 30.9084 175.8056 103 T 4.4141 7.7667 118.9591 60.3522 71.2083 173.4726 104 E 3.9714 8.6753 119.4922 59.9457 29.4299 178.0787 105 K 4.5107 7.8147 114.1562 56.1414 34.4926 174.4961 106 N 5.3131 7.9363 117.4452 51.3694 42.6629 172.9917 107 F 5.3111 9.1935 116.7447 56.4834 43.5175 174.4125 108 K 4.9019 9.1777 120.6253 55.2760 36.2977 175.0408 109 I 4.6313 8.6272 127.0897 59.9008 39.7177 174.1781 110 D 5.2836 8.0616 128.7243 51.5752 42.1999 176.6074 111 E 4.0174 8.9080 117.0244 59.7268 29.3457 178.9169 112 S 4.3906 8.1257 113.3802 60.5453 63.6982 176.1468 113 V 3.9293 7.8227 121.4843 65.4356 31.5440 176.9217 114 Y 4.4037 8.2523 119.4751 60.5429 38.3916 176.4577 115 P 4.2999 0.0000 0.0000 65.5248 31.4605 178.1046 116 L 4.2299 8.1287 116.8418 55.8445 41.9287 177.7269 117 G 2.7121 7.2447 106.3511 46.3478 0.0000 173.7043 118 L 4.4366 8.5474 124.2801 54.3810 43.4821 176.2329 119 E 4.8060 8.8189 121.0072 55.0804 31.8206 177.2618 120 I 2.9928 8.5742 120.3802 64.1777 37.9119 177.6198 121 A 3.9788 8.0122 121.0431 55.4569 17.8997 179.3565 122 E 3.9254 7.9184 116.0273 59.3302 29.5898 179.3088 123 V 3.5903 7.4859 116.9135 65.7550 31.5983 177.5891 124 A 4.3644 7.7738 119.4650 54.7732 18.4499 177.5329 125 G 3.6410 7.9763 109.5669 46.1599 0.0000 172.7521 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 9 E 8.30 4.30 0.00 2.08 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 2.27 2.29 0.00 10 R 7.93 3.95 0.00 2.02 1.97 0.00 3.22 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 11 D 8.38 4.44 0.00 2.93 2.96 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 12 L 7.78 3.48 0.00 0.50 1.38 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.61 4.00 0.00 1.94 1.86 0.97 0.84 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 14 V 7.77 3.70 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 1.17 0.00 0.00 1.00 0.00 0.00 15 E 8.31 4.04 0.00 2.18 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 2.69 2.74 0.00 16 L 8.11 3.97 0.00 1.82 1.56 0.73 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17 W 8.43 4.89 0.00 3.39 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 18 K 8.43 4.12 0.00 1.95 1.94 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.79 7.81 19 A 7.67 4.43 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 20 G 8.09 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 21 F 8.25 4.46 0.00 2.77 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 22 A 8.13 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.36 5.14 1.05 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 0.00 0.00 24 I 8.71 4.83 1.94 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 1.30 0.89 1.05 0.00 0.00 25 R 8.59 4.73 0.00 1.73 1.89 0.00 3.20 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 26 V 8.32 3.63 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 0.68 0.00 0.00 0.82 0.00 0.00 27 A 8.92 3.85 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 *32 S 8.03 4.20 0.00 3.91 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 33 P 0.00 4.10 0.00 0.50 1.52 0.00 3.52 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 34 F 7.04 5.19 0.00 3.15 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 35 P 0.00 4.50 0.00 2.29 2.12 0.00 4.00 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 36 C 8.08 4.04 0.00 2.80 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 37 P 0.00 4.48 0.00 2.17 1.93 0.00 2.70 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 1.33 1.25 0.00 38 D 8.52 4.60 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.43 4.99 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.81 0.00 0.00 40 V 8.52 4.79 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 0.78 0.00 0.00 0.68 0.00 0.00 41 A 8.92 5.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.13 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.41 4.65 0.00 2.24 1.74 0.00 0.00 7.17 7.16 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 44 G 8.16 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 45 R 7.72 4.29 0.00 1.62 1.90 0.00 3.11 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.55 0.00 46 T 8.31 4.65 4.29 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 0.00 0.00 1.36 0.00 0.00 47 Y 8.48 5.37 0.00 3.18 3.04 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 0.00 0.00 0.00 0.00 48 L 9.38 5.40 0.00 1.31 1.39 -0.17 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.20 5.08 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 50 I 8.64 5.01 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.91 0.88 0.00 0.00 51 E 9.09 4.80 0.00 2.08 1.82 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 2.35 2.24 0.00 52 V 9.08 4.78 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 0.88 0.00 0.00 0.80 0.00 0.00 53 K 9.53 4.82 0.00 1.70 1.66 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.56 7.81 54 M 8.79 5.14 0.00 1.79 1.96 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.32 0.00 55 R 8.57 4.68 0.00 1.61 1.69 0.00 3.28 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 56 K 8.82 3.95 0.00 1.71 1.82 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.34 7.81 57 E 7.34 4.55 0.00 1.94 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 2.10 2.25 0.00 58 L 7.99 4.28 0.00 1.55 1.50 0.68 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.58 0.00 1.19 1.66 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 60 L 8.30 4.42 0.00 1.68 1.37 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.61 5.09 0.00 2.90 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 62 L 9.00 5.06 0.00 1.67 1.57 0.90 0.74 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 63 S 8.77 4.61 0.00 4.06 4.04 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 0.00 0.00 0.00 0.00 64 A 8.81 4.44 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 0.00 0.00 65 D 8.14 4.35 0.00 2.82 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 66 E 8.37 3.91 0.00 2.07 2.13 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 2.30 2.32 0.00 67 V 7.76 3.49 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 0.34 0.00 0.00 0.66 0.00 0.00 68 E 8.57 3.96 0.00 2.27 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 2.41 2.56 0.00 69 Q 8.36 3.99 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 70 L 8.04 3.97 0.00 1.87 1.80 0.96 0.72 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 71 V 8.04 3.61 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 1.08 0.00 0.00 0.90 0.00 0.00 72 T 8.26 3.89 4.45 0.00 0.00 0.00 0.00 0.00 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 73 F 8.54 4.04 0.00 3.21 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 74 A 8.46 4.11 1.55 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 75 R 8.43 3.92 0.00 1.97 2.07 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 76 G 7.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.07 3.87 0.00 2.06 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 78 G 8.31 3.62 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 0.00 0.00 0.00 79 A 8.17 5.15 1.41 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 0.00 0.00 0.00 80 E 9.42 4.57 0.00 2.19 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 2.37 2.40 0.00 81 A 8.48 4.93 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 82 Y 9.09 4.91 0.00 2.91 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 83 V 9.15 4.78 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 1.02 0.00 0.00 0.93 0.00 0.00 84 A 9.02 5.03 0.77 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 85 L 9.38 5.29 0.00 1.82 1.82 0.91 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.64 4.32 0.00 0.79 0.74 0.00 0.90 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.55 0.87 7.81 87 L 7.97 5.23 0.00 1.49 1.36 0.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.28 0.00 1.97 1.94 0.00 3.69 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 2.05 2.04 0.00 89 R 8.79 4.02 0.00 1.95 2.08 0.00 3.29 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 90 K 7.50 4.72 0.00 1.76 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.51 7.81 91 K 8.43 4.23 0.00 1.81 1.86 0.00 1.82 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.51 7.81 92 W 8.73 4.41 0.00 3.23 2.92 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 93 R 9.03 4.91 0.00 1.85 1.33 0.00 2.95 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.26 0.00 94 F 9.26 5.27 0.00 2.73 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 95 F 9.69 5.09 0.00 2.91 2.99 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 0.00 0.00 0.00 96 P 0.00 4.22 0.00 2.04 1.59 0.00 3.94 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.86 0.00 97 V 8.20 3.48 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 0.80 0.00 0.00 0.79 0.00 0.00 98 Q 7.86 4.25 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 99 M 7.99 4.31 0.00 2.26 2.48 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 2.70 2.60 0.00 100 L 7.50 4.20 0.00 1.75 1.77 0.67 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 101 E 9.01 4.24 0.00 2.16 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 2.30 0.00 102 R 8.61 4.32 0.00 1.84 1.75 0.00 3.20 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.82 0.00 103 T 7.77 4.41 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 0.00 104 E 8.68 3.97 0.00 1.92 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 2.30 2.40 0.00 105 K 7.81 4.51 0.00 1.56 1.77 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.39 7.81 106 N 7.94 5.31 0.00 2.71 3.03 0.00 0.00 6.66 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 0.00 107 F 9.19 5.31 0.00 2.89 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 0.00 108 K 9.18 4.90 0.00 1.69 1.52 0.00 1.31 0.00 0.00 1.44 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.11 0.98 7.81 109 I 8.63 4.63 1.61 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.31 0.52 0.00 0.00 110 D 8.06 5.28 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.91 4.02 0.00 1.96 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 2.27 2.29 0.00 112 S 8.13 4.39 0.00 4.07 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 0.00 113 V 7.82 3.93 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 1.14 0.00 0.00 0.99 0.00 0.00 114 Y 8.25 4.40 0.00 3.24 3.04 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 0.00 0.00 0.00 0.00 115 P 0.00 4.30 0.00 2.11 2.17 0.00 3.85 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 116 L 8.13 4.23 0.00 1.81 1.77 1.00 0.80 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 0.00 117 G 7.24 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 0.00 0.00 0.00 118 L 8.55 4.44 0.00 1.61 1.55 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.82 4.81 0.00 1.94 1.91 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 2.30 2.23 0.00 120 I 8.57 2.99 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.77 0.93 0.00 0.00 121 A 8.01 3.98 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 0.00 122 E 7.92 3.93 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 2.32 2.39 0.00 123 V 7.49 3.59 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.36 0.00 0.00 124 A 7.77 4.36 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 0.00 125 G 7.98 3.64 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.