NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 3.4623 8.4045 120.2613 54.8574 33.5346 174.8590 6 R 4.2868 8.2828 119.5081 53.0256 31.2080 171.9907 7 V 3.7833 8.2818 123.5156 63.7081 32.7008 175.8574 8 G 3.9163 9.1286 116.1822 44.7376 0.0000 172.9486 9 E 4.1118 8.2157 122.4033 56.4976 30.4707 175.6014 10 R 5.3668 8.7576 125.8242 54.4720 32.7783 175.1519 11 F 5.0293 9.3990 125.2580 56.6046 42.6334 173.3727 12 T 4.6989 7.5229 119.7002 60.3511 69.4178 172.5867 13 H 4.6102 9.0423 128.1469 54.3852 32.7758 171.7146 14 D 5.2702 8.4043 124.8059 52.8017 43.8110 176.1219 15 F 4.5512 8.4143 123.9536 57.0189 42.5784 173.4976 16 V 3.8493 7.9150 127.6113 62.4899 32.1203 175.6374 17 V 3.3421 8.3499 129.9097 62.0928 31.9601 174.0289 18 P 4.7154 0.0000 0.0000 60.8465 32.5900 175.1958 19 P 4.2102 0.0000 0.0000 65.8426 31.1419 176.4657 20 H 4.2277 7.8375 112.8415 55.2915 28.8601 175.3106 21 K 3.7085 7.5125 118.8137 56.7750 32.7502 176.1195 22 T 5.4756 7.7093 107.3171 58.8258 71.6706 175.2760 23 V 3.3082 8.5894 121.4743 66.1139 31.2037 178.3557 24 R 4.0840 8.0550 114.9811 58.6851 29.5842 177.6754 25 H 4.6512 8.0555 114.9574 57.1529 29.5195 176.3692 26 L 3.6985 7.9200 120.8476 57.5475 42.0849 176.8759 27 Y 4.6687 7.3718 117.1351 53.8984 38.3608 174.0108 28 P 4.6019 0.0000 0.0000 64.3378 31.6113 177.3854 29 E 4.2108 8.3480 114.7202 56.5387 29.4464 175.6026 30 S 4.6458 8.0119 115.9223 56.1444 62.8412 172.5874 31 P 4.3647 0.0000 0.0000 65.7794 31.2867 178.8701 32 E 3.9822 7.3900 113.3508 58.5860 29.6424 177.7642 33 F 4.5035 7.8516 115.7447 57.7941 39.7275 177.5284 34 A 4.1901 7.7712 123.4738 54.4661 18.1873 177.9561 35 E 4.8082 8.1875 112.9278 55.9376 30.6600 176.1490 36 F 4.2240 8.5829 117.9138 56.6490 39.5218 173.3808 37 P 4.2460 0.0000 0.0000 63.5280 31.9836 177.3108 38 E 4.4733 8.5471 122.4818 55.5245 28.3268 176.0568 39 V 4.7996 7.2634 113.8319 58.6787 36.5769 175.6597 40 F 5.0087 9.1387 125.3001 59.3386 39.7737 174.9674 41 A 4.1734 8.9043 128.3077 52.0076 19.2209 177.9898 42 T 3.8921 9.0090 119.4351 67.1191 68.6571 177.0080 43 G 3.4205 7.8442 106.5270 47.7907 0.0000 175.4451 44 F 4.4064 7.6100 119.3161 60.1581 38.9713 177.4861 45 M 4.0350 7.5759 118.2192 58.2640 31.9869 178.2740 46 V 3.6211 8.0326 119.0357 66.1144 31.6303 178.3016 47 G 3.6556 7.9787 104.8641 47.2076 0.0000 175.4919 48 L 4.2649 8.0194 122.8754 58.2942 42.1156 178.8294 49 M 4.1071 8.4448 119.2040 58.1542 31.8528 178.6021 50 E 3.7808 8.2580 118.7668 59.0891 29.6833 178.8009 51 W 4.4376 8.3809 128.3642 60.7110 30.6354 177.6133 52 A 3.8983 7.9703 120.2814 55.5189 17.8557 179.4715 53 C 3.0258 7.5842 114.5723 62.4554 27.8163 176.3145 54 V 3.5409 7.8321 119.0589 66.1998 30.8068 177.9771 55 R 3.8901 8.0120 117.3485 59.1353 29.6324 178.9122 56 A 3.6219 7.1662 119.5866 54.9590 18.6693 178.9924 57 M 4.4770 8.1384 113.9252 56.9448 31.1614 178.3963 58 A 4.0029 7.6145 122.0354 54.8816 18.4102 177.5342 59 P 4.1667 0.0000 0.0000 64.5753 31.4210 176.4796 60 Y 4.5279 7.6990 113.6151 57.6731 39.5061 176.2608 61 L 4.2369 7.4400 119.4069 54.5452 42.6336 176.7004 62 E 4.4211 8.9222 121.6948 54.3563 30.7521 174.3956 63 P 4.3775 0.0000 0.0000 64.7123 31.6822 177.2259 64 G 3.9930 9.2164 111.3808 45.0579 0.0000 172.4467 65 E 5.0372 7.6389 118.5711 54.9365 31.6088 175.7493 66 G 4.3401 8.6534 108.4347 45.4873 0.0000 171.1108 67 S 5.2896 8.4530 112.3947 57.0445 66.1204 173.4436 68 L 4.7689 8.8345 120.8324 52.6815 45.5734 176.0372 69 G 4.2725 8.6747 109.0618 46.4938 0.0000 173.4963 70 T 4.7924 8.8291 113.1087 61.4169 70.9946 174.0482 71 A 4.6110 7.5681 121.6085 51.1001 22.5854 174.9481 72 I 5.0326 8.3752 121.0201 59.5585 41.4989 174.1791 73 C 4.7221 9.2825 128.9538 58.1115 33.8886 172.7819 74 V 5.0843 8.2115 118.0078 60.0708 35.7278 174.7748 75 T 4.5226 8.4844 112.9319 61.0797 71.4882 173.5034 76 H 5.2675 8.6587 121.3029 55.2878 31.6337 172.4385 77 T 4.7377 9.6845 116.0008 61.4250 70.2001 174.0608 78 A 4.6665 8.0014 123.1711 50.5943 22.3693 174.6207 79 A 4.7608 8.4392 121.6339 50.8244 21.0597 176.8862 80 T 4.6174 8.4904 118.4342 61.0194 70.8778 172.3496 81 P 4.8595 0.0000 0.0000 61.3238 33.2323 174.2016 82 P 4.3974 0.0000 0.0000 64.1228 31.6900 176.6435 83 G 4.0062 8.8453 110.0992 45.4220 0.0000 174.3610 84 L 4.2439 7.2086 119.5619 54.5921 43.5258 176.4831 85 T 4.4564 8.2306 118.7458 63.0629 69.9446 173.8251 86 V 4.3632 8.7991 128.1047 62.2199 33.3634 174.6450 87 T 4.7170 8.7459 125.3600 61.9136 70.5112 173.7038 88 V 4.6556 8.5216 127.5439 62.1531 33.5942 174.6539 89 T 5.1027 8.9051 123.7567 61.6429 71.5528 172.7912 90 A 5.2046 9.1707 128.1498 50.1564 21.9129 174.2616 91 E 5.1424 9.4784 124.6981 54.1982 32.3330 174.9776 92 L 3.6448 9.1003 130.5310 55.4386 42.4303 177.2560 93 R 4.4761 8.6427 125.5187 57.3374 32.4294 176.4507 94 S 4.4604 7.3151 110.6917 56.9494 66.4578 175.1598 95 V 4.4300 7.9481 121.0927 61.9758 32.1638 173.5768 96 E 4.0693 8.1345 117.5662 55.7509 30.3822 182.8232 97 G 3.9365 8.5410 121.6936 47.1441 0.0000 173.7555 98 R 4.2964 9.0586 127.1087 56.5576 29.6623 176.8873 99 R 5.2160 7.7648 119.1807 55.9752 32.2908 179.9545 100 L 4.8828 8.7649 123.9555 51.8638 45.5055 175.5533 101 S 4.9942 8.5641 117.0678 56.3027 65.5218 172.4334 102 W 5.2281 9.3337 127.2412 54.7966 32.1482 174.9606 103 R 4.6837 9.0717 125.4477 56.1979 30.6264 175.3765 104 V 5.1840 8.8403 120.3579 59.8357 34.6904 175.0901 105 S 5.2038 9.0196 117.2394 57.0579 66.9629 172.6237 106 A 5.3410 9.1206 122.2287 50.6218 22.6457 174.8129 107 H 5.3335 9.0634 115.6603 53.6024 32.5451 173.4063 108 D 5.3113 8.3666 118.3908 52.4379 39.4979 177.3735 109 G 4.1298 8.6514 110.5798 46.0732 0.0000 175.1825 110 V 4.1187 7.9055 117.0713 63.9773 32.8700 175.4496 111 D 4.8933 8.8708 118.5286 51.8866 44.6616 174.8586 112 E 4.3409 8.8950 122.1243 57.2017 29.9964 176.9004 113 I 4.4289 9.1541 116.2141 60.1004 40.3212 175.4912 114 G 4.4027 7.8639 110.5935 46.1512 0.0000 171.3253 115 S 5.0536 7.0497 111.3838 56.6538 66.3908 177.4280 116 G 4.3559 7.4525 109.8369 46.5360 0.0000 172.4509 117 T 5.3392 8.8608 115.0338 60.3406 73.0257 172.5440 118 H 5.4361 9.5169 121.8222 54.9055 33.5367 171.7667 119 E 5.3426 9.0978 124.8460 54.8303 32.5721 175.2485 120 R 5.2072 9.1082 120.5760 54.4218 35.1276 173.9447 121 A 5.2188 8.8505 123.0328 49.9863 21.9768 175.7577 122 V 4.2956 8.5403 123.7680 62.7600 32.2680 175.3983 123 I 4.7511 8.6193 122.9061 59.8308 41.5804 174.8916 *124 H 4.7584 8.6269 120.2632 53.8575 28.6961 177.3578 125 L 4.1844 9.0076 126.3967 57.0313 41.4746 179.6057 126 E 4.0120 8.1775 118.1023 59.2849 29.5875 179.3643 127 K 4.0224 8.0632 118.1899 59.3163 32.1635 179.0520 128 F 4.1558 8.4837 120.9624 61.4361 39.4049 176.9409 129 N 4.1926 8.6213 116.2049 56.1556 38.0486 177.2408 130 A 3.9229 7.5659 120.9641 55.0626 18.6818 179.2527 131 K 3.9264 7.6677 117.6974 59.6424 32.0967 179.5003 132 V 3.4458 7.3892 112.7472 64.2948 31.3219 178.6429 133 R 3.8535 7.9131 117.6659 59.2562 29.6148 178.8670 134 Q 4.1092 7.6090 117.1451 57.3705 28.6886 176.9149 135 K 4.5164 7.6851 116.9030 56.2408 33.4227 176.4561 136 T 3.9252 7.3383 117.4318 63.3445 68.8549 172.5467 137 P 4.4136 0.0000 0.0000 62.8618 31.3520 176.2542 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 5 M 8.40 3.46 0.00 1.64 1.66 0.00 0.00 0.00 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.81 0.00 6 R 8.28 4.29 0.00 1.71 1.79 0.00 3.28 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 7 V 8.28 3.78 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 0.86 0.00 0.00 0.79 0.00 0.00 8 G 9.13 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 9 E 8.22 4.11 0.00 2.23 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 0.00 2.44 2.38 0.00 10 R 8.76 5.37 0.00 1.78 1.88 0.00 3.24 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 11 F 9.40 5.03 0.00 3.13 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 12 T 7.52 4.70 4.07 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 0.98 0.00 0.00 13 H 9.04 4.61 0.00 2.98 2.91 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.40 5.27 0.00 2.45 2.42 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 15 F 8.41 4.55 0.00 2.81 2.73 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 16 V 7.92 3.85 1.79 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 0.58 0.00 0.00 0.77 0.00 0.00 17 V 8.35 3.34 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 0.70 0.00 0.00 0.36 0.00 0.00 18 P 0.00 4.72 0.00 1.99 2.01 0.00 3.33 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 19 P 0.00 4.21 0.00 2.20 2.22 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 20 H 7.84 4.23 0.00 3.13 3.30 0.00 5.67 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 21 K 7.51 3.71 0.00 1.83 1.67 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.99 1.53 7.81 22 T 7.71 5.48 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 1.43 0.00 0.00 23 V 8.59 3.31 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 0.18 0.00 0.00 1.10 0.00 0.00 24 R 8.06 4.08 0.00 2.04 2.43 0.00 3.19 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.52 0.00 25 H 8.06 4.65 0.00 3.60 3.58 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.92 3.70 0.00 1.09 1.60 -0.27 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.37 4.67 0.00 3.26 2.97 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 0.00 0.00 0.00 28 P 0.00 4.60 0.00 2.07 2.15 0.00 3.71 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 29 E 8.35 4.21 0.00 2.17 2.23 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 2.57 2.36 0.00 30 S 8.01 4.65 0.00 3.93 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 31 P 0.00 4.36 0.00 2.18 2.09 0.00 3.59 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 2.09 2.12 0.00 32 E 7.39 3.98 0.00 1.62 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 2.22 2.25 0.00 33 F 7.85 4.50 0.00 3.01 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.19 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 35 E 8.19 4.81 0.00 2.03 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 2.27 2.36 0.00 36 F 8.58 4.22 0.00 3.18 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 37 P 0.00 4.25 0.00 2.07 2.04 0.00 3.48 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 1.96 2.10 0.00 38 E 8.55 4.47 0.00 2.01 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 2.37 2.32 0.00 39 V 7.26 4.80 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 0.96 0.00 0.00 1.01 0.00 0.00 40 F 9.14 5.01 0.00 3.06 3.17 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 41 A 8.90 4.17 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 42 T 9.01 3.89 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 1.21 0.00 0.00 43 G 7.84 3.42 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 0.00 44 F 7.61 4.41 0.00 2.84 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 45 M 7.58 4.03 0.00 1.95 1.69 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 46 V 8.03 3.62 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 0.91 0.00 0.00 0.92 0.00 0.00 47 G 7.98 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.02 4.26 0.00 2.08 2.01 0.72 1.16 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 49 M 8.44 4.11 0.00 2.06 2.20 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 2.74 2.60 0.00 50 E 8.26 3.78 0.00 2.14 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 1.98 2.43 0.00 51 W 8.38 4.44 0.00 3.47 3.26 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 52 A 7.97 3.90 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 53 C 7.58 3.03 0.00 2.72 1.81 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 3.54 2.28 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 0.85 0.00 0.00 0.92 0.00 0.00 55 R 8.01 3.89 0.00 1.61 1.52 0.00 2.98 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 56 A 7.17 3.62 1.16 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 0.00 0.00 57 M 8.14 4.48 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.87 0.00 58 A 7.61 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.17 0.00 1.35 1.81 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.07 0.00 60 Y 7.70 4.53 0.00 3.13 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 61 L 7.44 4.24 0.00 1.69 1.62 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.92 4.42 0.00 2.29 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 2.32 2.43 0.00 63 P 0.00 4.38 0.00 2.04 2.02 0.00 3.66 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 2.03 2.10 0.00 64 G 9.22 3.99 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 0.00 0.00 0.00 65 E 7.64 5.04 0.00 2.26 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 0.00 2.41 2.25 0.00 66 G 8.65 4.34 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 0.00 67 S 8.45 5.29 0.00 3.84 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 68 L 8.83 4.77 0.00 1.44 1.44 0.49 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.67 4.27 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 0.00 0.00 0.00 70 T 8.83 4.79 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 1.24 0.00 0.00 71 A 7.57 4.61 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 72 I 8.38 5.03 1.92 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 1.22 0.88 0.93 0.00 0.00 73 C 9.28 4.72 0.00 3.02 2.78 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 74 V 8.21 5.08 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 0.79 0.00 0.00 0.93 0.00 0.00 75 T 8.48 4.52 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 1.24 0.00 0.00 76 H 8.66 5.27 0.00 3.13 3.18 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.68 4.74 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 1.25 0.00 0.00 78 A 8.00 4.67 1.29 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 0.00 0.00 0.00 79 A 8.44 4.76 1.25 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 0.00 0.00 0.00 80 T 8.49 4.62 4.38 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 1.12 0.00 0.00 81 P 0.00 4.86 0.00 2.11 2.19 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 82 P 0.00 4.40 0.00 2.02 2.07 0.00 3.65 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 2.03 2.09 0.00 83 G 8.85 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 84 L 7.21 4.24 0.00 1.40 1.66 0.90 0.59 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 85 T 8.23 4.46 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 1.10 0.00 0.00 86 V 8.80 4.36 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 0.99 0.00 0.00 0.67 0.00 0.00 87 T 8.75 4.72 3.85 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 1.12 0.00 0.00 88 V 8.52 4.66 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 0.89 0.00 0.00 0.95 0.00 0.00 89 T 8.91 5.10 4.27 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 1.24 0.00 0.00 90 A 9.17 5.20 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 91 E 9.48 5.14 0.00 2.08 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 0.00 2.23 2.27 0.00 92 L 9.10 3.64 0.00 1.01 1.21 -0.74 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.64 4.48 0.00 1.73 1.88 0.00 3.39 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 94 S 7.32 4.46 0.00 3.76 3.82 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 95 V 7.95 4.43 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 1.07 0.00 0.00 0.69 0.00 0.00 96 E 8.13 4.07 0.00 1.93 1.92 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 2.33 1.93 0.00 97 G 8.54 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 98 R 9.06 4.30 0.00 1.75 1.92 0.00 3.20 0.00 0.00 3.37 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.18 0.00 99 R 7.76 5.22 0.00 1.43 1.80 0.00 3.17 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 100 L 8.76 4.88 0.00 1.65 1.18 0.92 0.19 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 0.00 101 S 8.56 4.99 0.00 3.80 3.55 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 0.00 102 W 9.33 5.23 0.00 3.29 3.12 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 0.00 103 R 9.07 4.68 0.00 1.99 2.03 0.00 3.14 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 104 V 8.84 5.18 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 0.79 0.00 0.00 1.02 0.00 0.00 105 S 9.02 5.20 0.00 3.88 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 0.00 106 A 9.12 5.34 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 0.00 107 H 9.06 5.33 0.00 3.34 3.55 0.00 5.43 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.37 5.31 0.00 2.73 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 0.00 109 G 8.65 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 0.00 0.00 0.00 110 V 7.91 4.12 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 0.86 0.00 0.00 0.93 0.00 0.00 111 D 8.87 4.89 0.00 2.66 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 0.00 112 E 8.89 4.34 0.00 1.98 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 2.28 0.00 113 I 9.15 4.43 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.00 1.10 0.00 0.00 114 G 7.86 4.40 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 0.00 115 S 7.05 5.05 0.00 4.11 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 0.00 116 G 7.45 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.86 5.34 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 118 H 9.52 5.44 0.00 3.22 3.23 0.00 5.56 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.10 5.34 0.00 1.96 1.81 0.00 0.00 0.00 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 2.29 0.00 120 R 9.11 5.21 0.00 1.88 1.82 0.00 3.08 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 121 A 8.85 5.22 1.18 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 0.00 0.00 0.00 122 V 8.54 4.30 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 0.86 0.00 0.00 1.00 0.00 0.00 123 I 8.62 4.75 1.85 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.47 0.83 0.00 0.00 *124 H 8.63 4.76 0.00 2.86 3.00 0.00 7.19 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 9.01 4.18 0.00 1.71 1.80 0.98 1.05 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 0.00 126 E 8.18 4.01 0.00 2.08 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 2.48 0.00 127 K 8.06 4.02 0.00 1.98 1.90 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.54 7.81 128 F 8.48 4.16 0.00 3.17 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 0.00 129 N 8.62 4.19 0.00 2.91 2.84 0.00 0.00 6.96 8.19 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 0.00 130 A 7.57 3.92 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 0.00 131 K 7.67 3.93 0.00 1.78 1.66 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.42 7.81 132 V 7.39 3.45 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 0.03 0.00 0.00 0.80 0.00 0.00 133 R 7.91 3.85 0.00 1.94 1.96 0.00 3.10 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00 134 Q 7.61 4.11 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 135 K 7.69 4.52 0.00 1.78 1.82 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.32 7.81 136 T 7.34 3.93 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 137 P 0.00 4.41 0.00 2.03 1.95 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.