NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4648 8.3344 116.7955 58.5806 64.2843 172.6539 1 M 4.5699 8.5116 123.7932 52.6394 35.0131 168.9099 2 V 4.3946 8.5873 125.1535 61.0760 34.9175 173.6582 3 M 4.7190 8.3267 125.8511 52.9821 34.6567 174.6842 4 E 3.9357 8.9055 128.0429 56.7567 30.2710 177.4232 5 K 4.0239 8.6468 126.7618 54.1587 32.2468 173.3143 6 P 4.5237 0.0000 0.0000 61.7905 32.2071 177.0696 7 S 4.3418 8.3384 114.9719 57.6952 64.9958 173.3582 8 P 4.1299 0.0000 0.0000 65.7478 31.0645 178.5862 9 L 3.8489 7.7985 118.6368 58.1183 42.1260 178.7629 10 L 4.1178 7.6340 118.8613 57.7579 40.5175 179.3021 11 V 3.4953 7.6956 120.2226 65.8099 31.4654 177.9891 12 G 3.5219 8.1685 105.8453 47.8569 0.0000 175.5166 13 R 3.8864 7.9654 121.7013 59.0706 30.1128 178.2383 14 E 3.9432 8.1570 119.1003 58.9292 29.5323 178.5540 15 F 3.9273 8.2391 120.8679 61.1771 39.4651 177.2028 16 V 3.2408 7.6785 117.8097 65.8499 31.4295 177.7989 17 R 3.9013 7.8746 118.3155 59.6906 29.9266 178.5330 18 Q 3.9964 7.8562 117.6429 58.9419 28.7101 178.0577 19 Y 3.7951 7.6395 120.8204 61.0257 38.2556 177.8539 20 Y 4.0580 7.9542 117.0087 60.6558 37.9221 178.2997 21 T 3.9752 7.8350 116.9776 66.4673 68.5369 176.5256 22 L 3.8970 7.9375 122.3935 57.8461 41.8652 178.5943 23 L 3.6148 7.5158 119.6414 57.8274 41.9313 178.1654 24 N 4.5286 7.5641 114.9755 56.4701 39.1708 176.7789 25 Q 4.2953 8.1166 118.1468 57.8136 30.4153 177.0632 26 A 4.7071 8.3238 123.3125 49.2669 20.5791 174.5867 27 P 4.2373 0.0000 0.0000 64.9415 31.5476 178.0796 28 D 4.5850 8.1516 117.5061 55.5597 39.5465 176.9939 29 M 4.3234 7.9924 119.3203 55.3947 32.6830 177.4088 30 L 4.0010 7.8304 122.0658 58.2179 42.3989 178.2118 31 H 4.5697 8.3728 114.3291 58.2934 28.0962 177.2972 32 R 3.9635 7.3369 119.7986 58.5890 30.1163 178.2095 33 F 4.5900 8.2730 117.6354 58.5985 38.8606 174.7517 34 Y 5.2614 7.4627 115.1577 56.2997 40.1987 174.7309 35 G 4.3302 8.8841 110.7854 43.3305 0.0000 173.7619 36 K 4.0272 8.7175 117.2089 59.3555 32.4916 177.3782 37 N 4.9119 7.9919 113.7518 52.8574 39.2936 174.8974 38 S 4.8816 8.0657 116.0433 58.6499 63.7837 173.3942 39 S 5.0967 9.0791 118.0917 57.0919 65.8611 172.4698 40 Y 5.2759 8.3679 122.4931 56.3302 42.5399 174.0296 41 V 4.3908 8.1229 125.4853 60.2824 35.0202 173.8122 42 H 4.7933 8.0475 123.5933 54.6110 28.4832 174.4476 43 G 3.7815 9.8136 112.0910 47.8447 0.0000 172.2753 44 G 4.1691 9.9020 106.6587 45.9043 0.0000 172.1359 45 L 5.0376 7.9241 119.0777 52.6028 45.1402 176.7992 46 D 4.3686 8.7457 122.3257 55.4842 40.0712 175.0317 *51 P 4.4789 0.0000 0.0000 61.5919 32.4012 176.8096 52 A 4.2691 8.5950 125.3675 52.1821 19.0998 177.0057 53 D 4.7753 8.5245 118.8620 53.5428 42.2548 176.4575 54 A 4.4109 8.4558 122.2097 51.9958 19.7287 177.1556 55 V 4.4792 8.4716 112.3706 59.7320 35.1250 174.6125 56 Y 5.0992 8.6548 119.8761 57.4474 40.9443 176.6378 57 G 4.1530 9.4912 108.9724 46.0798 0.0000 174.0601 58 Q 4.0471 8.9937 123.7269 59.7494 28.8620 179.7927 59 K 3.9146 8.0510 123.8436 60.1599 31.7783 180.5885 60 E 4.2245 8.1045 119.5251 58.8068 29.3443 179.4724 61 I 3.2877 7.7392 120.0623 64.3963 37.1110 177.5342 62 H 3.9478 8.2055 119.3611 59.5252 29.6050 177.0634 63 R 3.7388 7.6484 119.9638 59.1776 29.7469 178.3887 64 K 3.9054 7.9509 119.4718 59.4406 31.9984 178.9384 65 V 3.9796 7.4934 119.0498 65.8966 31.7696 177.6610 66 M 4.1972 8.1316 118.7202 58.2213 31.5411 178.8860 67 S 4.1672 7.9351 113.5880 61.1059 63.3886 175.9003 68 Q 3.8628 7.8603 120.4948 55.5829 29.5190 174.9009 69 N 4.1683 7.4921 116.2723 54.1397 36.4174 174.6607 70 F 4.5912 7.5946 115.1077 57.6730 40.0624 175.7320 71 T 4.5941 8.9398 120.1319 61.8360 70.3643 173.2763 72 N 4.5099 9.0416 125.4870 54.2577 36.3636 174.2709 73 C 4.6672 8.2787 114.1391 60.4240 29.3207 173.2875 74 H 5.0501 9.2628 122.6734 54.7045 32.3491 172.3636 75 T 5.1028 8.4637 121.1613 61.6879 72.1490 173.7481 76 K 4.3823 9.0831 124.8476 54.5733 34.8442 175.4655 77 I 4.1488 8.2452 126.8765 60.9515 36.9242 176.1732 78 R 4.2754 8.5180 126.8954 58.4061 31.2615 176.7608 79 H 4.8715 8.4501 117.4059 54.7038 33.8938 172.6659 80 V 4.7842 7.9161 123.8354 61.2591 34.2643 173.9659 81 D 5.1311 9.0445 127.4274 52.5604 43.7444 175.1618 82 A 5.1397 8.1573 122.9448 51.1231 22.3862 175.0202 83 H 4.9352 9.1194 117.1394 53.6631 33.7879 172.9775 84 A 4.4678 8.6706 122.7460 52.7537 18.9666 177.2675 85 T 4.6276 8.3318 115.8721 60.4275 70.2569 173.2966 86 L 3.8504 8.6860 118.6471 57.1624 42.4889 176.3029 87 N 4.3479 9.5009 116.2816 55.9100 36.5679 172.9508 88 D 4.4164 8.0050 115.5041 54.9143 39.3351 174.3739 89 G 4.0873 7.9126 107.2718 45.5878 0.0000 173.2901 90 V 5.0094 8.6339 119.2804 60.8710 34.8689 174.3008 91 V 4.7219 8.6554 127.8056 60.1546 33.6536 174.8778 92 V 4.9267 8.8955 124.8624 60.9765 34.6079 173.6411 93 Q 5.0750 9.4170 129.0852 54.3149 31.4933 174.0788 94 V 4.9236 9.1914 126.4957 61.3665 34.8609 173.9621 95 M 4.7146 8.6373 126.8057 53.8209 35.5827 175.2438 96 G 3.9959 6.4214 108.6947 45.8408 0.0000 171.5415 97 L 5.5551 8.4137 119.4004 52.9045 45.5646 175.8362 98 L 5.5297 9.6021 124.4636 53.4473 45.9627 174.9736 99 S 5.3556 9.2796 120.2948 55.5925 66.0317 172.2591 100 N 5.2839 8.8337 121.7926 52.2172 41.7799 173.5770 101 N 4.4108 9.4790 122.7776 55.1259 38.0271 173.5750 102 N 4.2677 8.2788 107.6030 54.2795 36.6423 175.0714 103 Q 4.4413 7.7933 118.3647 54.6110 31.3251 175.1500 104 A 4.1390 8.3785 119.6554 53.0104 19.6375 177.4606 105 L 4.2624 8.5985 121.7614 54.8333 42.3222 176.5708 106 R 4.7924 8.9822 124.1269 54.1394 32.9889 176.1206 107 R 4.7270 8.7136 122.8017 56.3001 31.4239 175.5295 108 F 5.2964 8.8778 117.3657 55.3790 42.2417 173.3307 109 M 4.8095 8.7621 119.0124 53.6866 35.2058 174.5363 110 Q 5.0362 9.3322 124.6738 54.5486 33.4234 173.8333 111 T 5.1159 8.7189 120.4546 61.8179 72.4170 172.9991 112 F 5.4144 9.3792 124.3319 55.5989 43.1227 174.4453 113 V 4.6665 8.7158 121.3909 61.3201 33.8783 174.2319 114 L 4.9277 9.0210 128.2638 53.1079 44.0861 175.6313 115 A 4.9367 8.2949 123.0726 49.2016 22.9593 174.0270 116 P 3.7201 0.0000 0.0000 64.5483 32.3349 176.8270 117 E 3.5967 8.3846 115.7230 56.4683 25.7744 172.9426 *124 F 4.6859 7.5152 117.9120 57.7450 40.7473 174.6282 125 Y 4.9722 8.5439 121.7933 55.1607 41.5161 174.5860 126 V 3.8546 8.7135 121.1131 62.2878 31.7062 175.1223 127 H 4.6661 9.1650 129.4394 58.3886 31.2968 174.8123 128 N 5.5957 8.0245 113.9883 50.5408 43.3264 173.3619 129 D 4.9068 9.3667 122.0036 52.7944 44.3905 174.1765 130 I 4.4772 8.6046 128.6025 59.4769 39.4957 174.6662 131 F 5.1155 8.8928 129.8906 56.2730 42.3917 174.0886 132 R 4.9292 8.2430 123.5581 54.5682 34.7839 174.2146 133 Y 4.7820 8.6093 120.7533 57.5324 39.1327 176.8502 134 Q 4.3304 9.3276 124.2924 59.1180 28.9968 178.1688 135 D 4.7104 8.2750 114.9779 54.7918 39.7154 176.3363 136 E 4.5529 8.0679 118.1708 56.4098 30.3871 176.3224 137 V 4.0656 7.6610 116.8181 63.5517 33.7283 175.3974 138 F 4.6992 8.5994 117.1843 56.9919 40.5202 176.1071 139 G 4.0782 8.9069 111.4594 45.8688 0.0000 173.3187 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 0 S 8.33 4.46 0.00 3.88 3.88 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 1 M 8.51 4.57 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 V 8.59 4.39 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 0.87 0.00 0.00 0.94 0.00 0.00 3 M 8.33 4.72 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 4 E 8.91 3.94 0.00 1.97 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 2.31 2.33 0.00 5 K 8.65 4.02 0.00 1.81 1.61 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.37 1.02 7.81 6 P 0.00 4.52 0.00 2.17 2.10 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 7 S 8.34 4.34 0.00 4.05 4.03 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 8 P 0.00 4.13 0.00 2.11 2.10 0.00 3.58 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 2.15 0.00 9 L 7.80 3.85 0.00 1.66 1.61 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.63 4.12 0.00 1.89 1.88 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.70 3.50 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 0.05 0.00 0.00 0.86 0.00 0.00 12 G 8.17 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.97 3.89 0.00 1.98 1.91 0.00 3.08 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 14 E 8.16 3.94 0.00 2.21 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 2.32 2.38 0.00 15 F 8.24 3.93 0.00 2.94 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 16 V 7.68 3.24 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 1.17 0.00 0.00 1.07 0.00 0.00 17 R 7.87 3.90 0.00 1.94 2.05 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 18 Q 7.86 4.00 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 19 Y 7.64 3.80 0.00 1.50 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 0.00 0.00 0.00 0.00 20 Y 7.95 4.06 0.00 3.21 3.07 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 0.00 0.00 0.00 21 T 7.83 3.98 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 1.22 0.00 0.00 22 L 7.94 3.90 0.00 1.90 1.74 0.84 0.34 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 23 L 7.52 3.61 0.00 1.24 1.64 -0.37 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.56 4.53 0.00 2.96 2.85 0.00 0.00 7.29 6.96 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 25 Q 8.12 4.30 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 26 A 8.32 4.71 1.17 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 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.24 0.00 2.37 2.41 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.31 0.00 28 D 8.15 4.59 0.00 2.91 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 29 M 7.99 4.32 0.00 1.90 2.16 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 30 L 7.83 4.00 0.00 1.87 1.71 0.41 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.37 4.57 0.00 3.43 3.58 0.00 5.51 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.34 3.96 0.00 1.58 1.82 0.00 3.03 0.00 0.00 3.04 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.31 0.00 33 F 8.27 4.59 0.00 2.84 2.67 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 0.00 0.00 0.00 0.00 34 Y 7.46 5.26 0.00 3.10 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 35 G 8.88 4.33 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 0.00 36 K 8.72 4.03 0.00 1.90 1.98 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.49 7.81 37 N 7.99 4.91 0.00 2.80 2.96 0.00 0.00 6.94 7.57 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 38 S 8.07 4.88 0.00 4.18 4.23 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 39 S 9.08 5.10 0.00 3.68 4.16 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 40 Y 8.37 5.28 0.00 2.87 2.58 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 41 V 8.12 4.39 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 0.51 0.00 0.00 0.93 0.00 0.00 42 H 8.05 4.79 0.00 2.66 3.12 0.00 5.87 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 43 G 9.81 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.90 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.92 5.04 0.00 1.61 1.55 0.94 1.13 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 46 D 8.75 4.37 0.00 2.77 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 *51 P 0.00 4.48 0.00 1.98 2.06 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.08 0.00 52 A 8.60 4.27 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 53 D 8.52 4.78 0.00 2.61 2.65 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 54 A 8.46 4.41 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.47 4.48 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 0.77 0.00 0.00 0.99 0.00 0.00 56 Y 8.65 5.10 0.00 2.87 2.90 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 0.00 0.00 0.00 57 G 9.49 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 58 Q 8.99 4.05 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.74 0.00 59 K 8.05 3.91 0.00 1.80 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.45 1.11 7.81 60 E 8.10 4.22 0.00 2.10 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 2.42 2.38 0.00 61 I 7.74 3.29 1.66 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 -0.34 0.00 0.00 62 H 8.21 3.95 0.00 3.06 3.39 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.65 3.74 0.00 1.98 1.85 0.00 3.13 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 64 K 7.95 3.91 0.00 2.00 1.79 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.66 1.64 7.81 65 V 7.49 3.98 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 1.15 0.00 0.00 0.53 0.00 0.00 66 M 8.13 4.20 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 67 S 7.94 4.17 0.00 3.99 4.08 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 68 Q 7.86 3.86 0.00 1.82 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.21 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 69 N 7.49 4.17 0.00 2.68 2.75 0.00 0.00 6.98 7.77 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 70 F 7.59 4.59 0.00 3.02 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 71 T 8.94 4.59 4.28 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 1.30 0.00 0.00 72 N 9.04 4.51 0.00 2.93 2.91 0.00 0.00 7.10 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 73 C 8.28 4.67 0.00 2.94 3.01 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 74 H 9.26 5.05 0.00 3.28 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.46 5.10 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 0.80 0.00 0.00 76 K 9.08 4.38 0.00 1.63 1.69 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.34 7.81 77 I 8.25 4.15 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 0.91 0.00 0.00 78 R 8.52 4.28 0.00 1.70 1.91 0.00 3.33 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 79 H 8.45 4.87 0.00 3.16 3.04 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.92 4.78 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 0.87 0.00 0.00 0.96 0.00 0.00 81 D 9.04 5.13 0.00 2.64 2.57 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 82 A 8.16 5.14 1.12 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 83 H 9.12 4.94 0.00 3.05 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.67 4.47 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 85 T 8.33 4.63 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 1.21 0.00 0.00 86 L 8.69 3.85 0.00 1.73 1.59 0.92 0.59 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 87 N 9.50 4.35 0.00 2.73 2.88 0.00 0.00 7.11 8.47 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 88 D 8.00 4.42 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.09 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 0.00 90 V 8.63 5.01 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 0.83 0.00 0.00 0.78 0.00 0.00 91 V 8.66 4.72 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 0.77 0.00 0.00 1.00 0.00 0.00 92 V 8.90 4.93 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 1.15 0.00 0.00 0.84 0.00 0.00 93 Q 9.42 5.08 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 94 V 9.19 4.92 2.33 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 1.25 0.00 0.00 1.23 0.00 0.00 95 M 8.64 4.71 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 96 G 6.42 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 0.00 0.00 0.00 97 L 8.41 5.56 0.00 1.62 1.61 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 98 L 9.60 5.53 0.00 2.00 1.97 1.10 1.21 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 99 S 9.28 5.36 0.00 4.26 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 0.00 100 N 8.83 5.28 0.00 3.03 2.74 0.00 0.00 6.97 6.71 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 0.00 101 N 9.48 4.41 0.00 2.84 2.82 0.00 0.00 7.22 7.22 0.00 0.00 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 N 8.28 4.27 0.00 2.92 2.89 0.00 0.00 7.17 7.69 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 0.00 103 Q 7.79 4.44 0.00 2.21 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 104 A 8.38 4.14 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 0.00 105 L 8.60 4.26 0.00 1.60 1.72 0.98 1.02 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 0.00 106 R 8.98 4.79 0.00 1.99 1.89 0.00 2.92 0.00 0.00 2.70 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.76 0.00 107 R 8.71 4.73 0.00 1.81 1.80 0.00 3.01 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 108 F 8.88 5.30 0.00 1.85 2.65 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 0.00 109 M 8.76 4.81 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 110 Q 9.33 5.04 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.76 0.00 0.00 0.00 0.00 0.00 1.59 2.12 0.00 111 T 8.72 5.12 4.17 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 0.00 0.00 1.20 0.00 0.00 112 F 9.38 5.41 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 4.67 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 1.01 0.00 0.00 0.94 0.00 0.00 114 L 9.02 4.93 0.00 1.33 1.29 0.22 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.29 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 3.72 0.00 1.92 1.66 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.72 0.00 117 E 8.38 3.60 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.88 0.00 *124 F 7.52 4.69 0.00 2.89 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 0.00 125 Y 8.54 4.97 0.00 3.19 2.98 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 0.00 0.00 0.00 126 V 8.71 3.85 1.50 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 0.95 0.00 0.00 0.41 0.00 0.00 127 H 9.16 4.67 0.00 3.11 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.02 5.60 0.00 2.76 2.69 0.00 0.00 6.99 8.08 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 0.00 129 D 9.37 4.91 0.00 3.16 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 0.00 130 I 8.60 4.48 1.79 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 1.08 0.64 0.85 0.00 0.00 131 F 8.89 5.12 0.00 2.73 2.58 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 0.00 132 R 8.24 4.93 0.00 1.64 1.71 0.00 3.33 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 133 Y 8.61 4.78 0.00 3.13 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 0.00 134 Q 9.33 4.33 0.00 2.22 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.87 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 135 D 8.27 4.71 0.00 2.81 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 0.00 136 E 8.07 4.55 0.00 2.25 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 2.31 0.00 137 V 7.66 4.07 1.89 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 0.23 0.00 0.00 0.86 0.00 0.00 138 F 8.60 4.70 0.00 3.16 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 0.00 139 G 8.91 4.08 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.