NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.7517 8.0748 110.3375 61.8669 69.9658 173.4642 4 R 4.0877 8.3982 120.0825 56.1236 30.8022 175.4484 5 L 4.3400 8.1373 121.0413 54.2795 45.3212 175.1686 6 E 4.3779 8.6441 128.2572 55.0564 28.0082 177.2826 7 W 4.3555 8.4122 120.9453 59.0622 28.4266 178.2842 8 A 3.3074 6.8864 120.7637 54.4935 17.7245 179.3084 9 K 3.9448 7.5958 115.6534 59.3187 32.3459 178.9722 10 A 4.3495 7.7674 119.8595 53.9303 19.6303 178.0806 11 S 4.5825 8.2728 114.9242 54.5323 62.6892 171.9691 12 P 4.3425 0.0000 0.0000 65.6324 31.1917 177.4097 13 D 4.3554 8.1623 116.6369 57.0633 40.5764 178.2305 14 A 4.0933 7.7058 120.1551 55.5263 18.5378 178.5484 15 Y 4.0847 7.8314 116.0479 60.8821 39.0064 178.0169 16 A 4.1102 8.3696 121.4836 54.9871 18.4729 180.2780 17 A 4.2182 8.0666 116.7960 52.8939 18.2005 179.2925 *19 L 4.4446 8.0223 123.1210 56.2602 43.9489 179.5390 20 G 3.7138 8.1737 105.4945 47.8417 0.0000 175.7001 21 L 4.0588 7.5924 119.6144 57.8982 41.6008 179.4796 22 E 4.1888 8.2499 118.0096 59.1501 29.2341 179.4350 23 K 3.9712 8.0878 117.9764 59.3497 32.4739 178.8951 24 A 4.1716 8.0802 121.3238 55.1067 18.3440 179.6565 25 L 4.0608 8.1668 117.9356 58.5449 40.4297 179.1378 26 A 4.0098 8.1563 121.3372 54.5092 18.3238 178.6655 27 K 4.2639 7.6273 114.1516 55.7808 32.8269 177.0395 28 A 4.3902 7.3162 123.0131 51.7142 19.0017 178.2703 29 G 3.7349 8.8001 108.7347 47.3000 0.0000 174.4996 30 L 4.0374 7.7186 122.2014 54.6317 42.7156 176.9300 31 E 3.9226 8.9888 124.7188 56.9561 30.3957 177.6749 32 R 3.8178 8.8039 124.0646 59.4863 30.0352 176.4308 33 P 4.2909 0.0000 0.0000 65.5407 31.1714 178.3829 34 L 4.0019 7.8404 118.6311 58.1802 42.1062 178.7316 35 I 3.7139 7.6527 119.7993 64.5790 36.9221 178.3026 36 E 3.9149 8.6012 119.7711 59.1668 29.1403 179.4076 37 L 4.0020 7.8204 118.8609 57.6831 41.7140 179.5417 38 V 3.5660 8.0161 118.3015 66.2704 31.4592 177.6505 39 Y 3.8825 8.4461 116.4856 60.9587 37.7601 178.3688 40 L 3.9981 8.3405 121.4876 58.1658 42.2743 178.8194 41 R 4.1767 8.1290 120.1607 59.2465 30.0310 178.4670 42 T 3.8602 7.9677 115.3321 66.9643 68.4541 176.8368 43 S 4.3318 8.2614 116.8404 61.4330 62.8671 176.9550 44 Q 3.9949 8.0995 120.9369 59.1380 28.3339 178.5909 45 I 3.8457 7.6351 119.2884 64.2242 37.2739 177.4076 46 N 4.7126 8.2134 114.0738 52.1657 39.0550 175.0441 47 G 3.7678 7.7211 107.9869 47.1410 0.0000 175.0991 48 C 4.5211 8.0614 120.9178 57.4557 32.0015 172.3522 49 A 4.0220 8.4058 130.9961 54.8696 17.9372 178.1157 50 Y 4.0528 8.1033 116.9580 61.3772 39.0028 177.9488 51 C 4.3055 8.1991 115.5561 62.5114 28.6176 175.7189 52 V 3.8207 8.0866 120.1884 66.0562 31.1336 178.0685 53 N 4.2512 7.9466 112.9023 55.3081 38.7892 175.6772 *55 H 4.6207 8.1970 117.1734 55.3596 31.2373 175.6216 56 A 3.9987 8.2468 121.5496 55.1826 18.0937 179.3091 57 N 4.2495 8.1382 114.9762 56.6798 38.5767 177.4473 58 D 4.2740 7.9894 119.4716 57.1559 40.7330 178.4957 59 A 3.9747 7.8189 120.3691 55.0641 18.7261 179.3805 60 R 4.3299 8.3436 118.7253 59.0162 30.0555 178.9556 61 K 4.0725 8.1382 116.7232 59.1405 32.4898 177.7496 62 A 4.5180 7.2598 120.2732 51.8099 19.1578 175.3420 63 G 3.4883 8.3473 104.7499 45.3466 0.0000 171.8387 64 E 4.0994 9.6821 120.7377 57.0210 30.4515 173.2407 65 T 4.6725 7.8720 117.4607 59.7145 71.6096 174.6461 66 E 3.9863 8.7338 127.2114 59.2865 29.2168 179.0160 67 Q 3.7722 7.9692 119.3094 59.4023 29.0471 178.8285 68 R 3.9271 7.6245 118.1660 58.9168 30.1109 178.5872 69 L 4.1082 7.8175 118.1695 57.9457 41.7494 179.2829 70 Q 4.2113 8.3825 116.1319 58.3700 29.1230 177.3040 71 A 4.5271 7.8863 121.1645 52.9671 19.1307 178.6940 72 L 4.1138 8.0471 119.6682 58.5762 41.9562 178.8128 73 C 4.5527 8.3463 111.9025 60.3506 29.7591 174.1948 74 V 4.4690 7.9725 115.4735 60.3821 32.7026 177.5961 75 W 4.6234 8.3310 120.5929 59.8229 27.9841 178.1477 76 Q 3.1198 6.9569 116.8093 58.1251 28.0074 177.1287 77 E 4.5796 7.6413 115.0542 56.1826 29.8873 175.6617 78 T 4.4849 7.5719 107.8879 59.3254 71.3976 171.6702 79 P 4.6367 0.0000 0.0000 63.1457 31.4607 176.1232 80 Y 4.4405 7.0007 114.5016 59.1328 38.0902 175.4024 81 F 5.1181 7.7947 118.4683 55.0973 42.3121 175.6969 82 T 4.2191 8.7044 115.1967 61.0219 70.6879 173.9499 83 P 4.2540 0.0000 0.0000 65.7266 31.1862 179.0316 84 R 3.5414 7.8170 116.9848 59.4987 30.1697 178.3692 85 E 4.0377 8.2263 118.3338 59.3594 29.3650 179.6300 86 R 3.5624 8.2833 118.2458 58.8651 30.1556 178.7493 87 A 4.0541 7.9850 120.4783 55.2241 18.2874 179.6019 88 A 3.9936 7.9517 119.3892 55.1598 18.3448 179.8374 89 L 3.6369 7.5986 117.2704 57.3197 41.4915 179.4149 90 A 4.3443 8.0866 121.0248 54.8398 18.3746 179.4266 91 W 4.2505 8.3511 126.9142 61.1045 30.8545 178.2378 92 T 3.8212 8.2750 115.8625 66.7040 67.6450 176.4593 93 E 4.0264 8.3635 119.5919 59.6549 29.6005 179.1959 94 Q 4.0927 8.0742 118.0748 58.8295 28.5509 178.5508 95 L 3.8506 7.6379 118.5289 56.8880 41.7651 178.8145 96 A 4.1068 7.8672 120.3994 54.0742 18.5991 178.7137 97 R 4.5563 7.3601 116.0837 55.8018 31.1842 178.4110 98 L 3.8923 7.9413 123.0139 58.2834 41.8649 177.9190 99 S 4.1679 8.0169 111.7509 60.6357 62.9582 174.7103 100 Q 4.2831 8.6036 118.6693 55.7450 29.3291 176.7243 101 G 3.6606 6.2144 103.5380 45.3395 0.0000 171.7232 102 A 4.6732 7.7965 123.4062 49.9921 20.4907 177.3307 103 L 4.1129 8.1262 120.4737 54.1375 42.5271 176.6006 104 P 4.2333 0.0000 0.0000 65.6567 32.7216 176.1199 105 H 4.8442 8.1584 112.7470 54.7741 37.3924 173.6320 106 G 3.9926 9.7893 118.5340 47.1084 0.0000 176.4632 107 L 4.0558 8.3588 122.0599 57.7253 42.1505 178.3568 108 L 3.6168 8.1893 119.8401 58.4325 41.7900 178.3584 109 D 4.3665 8.1582 116.6616 57.7147 40.9127 178.4276 110 E 4.6500 8.2008 120.1210 58.7324 29.4255 179.1192 111 L 4.0631 7.9995 120.5229 58.2399 41.9165 179.2382 112 R 4.2676 7.9628 118.2095 58.2570 30.1748 178.4679 113 E 4.0524 8.0365 118.3276 58.5364 29.1300 177.9997 114 H 4.5143 7.9848 113.8305 55.3725 30.9984 174.0948 115 F 5.0567 8.1330 117.4316 54.9419 42.0729 174.6574 116 D 4.6289 9.0147 124.5653 52.9574 41.6497 177.4477 117 D 4.3913 8.5032 119.0245 56.9594 40.7217 179.0448 118 K 3.9461 8.0572 120.1314 59.4324 32.3055 178.4149 119 E 4.1675 8.9728 119.6097 59.6027 29.4291 179.5387 120 I 3.4537 7.8881 112.6434 63.4933 37.4973 178.2277 121 A 3.9912 8.0030 122.8422 55.1158 18.1928 179.4518 122 E 3.9044 8.2573 117.1500 59.3331 29.4397 179.1865 123 L 3.9010 8.1657 120.7926 58.7432 42.1397 179.3368 124 T 4.1275 8.2238 115.4578 66.0916 68.3046 176.7483 125 L 3.9428 8.2318 122.6292 58.0434 42.1362 178.5273 126 A 4.2505 8.6558 121.0735 55.5004 18.3017 179.5144 127 V 3.4875 8.1140 116.6731 66.5758 31.5494 178.4991 128 S 4.0603 8.2121 114.3763 61.2730 62.5954 176.6371 129 A 3.9306 8.2291 123.6536 55.2569 18.2359 179.5432 130 I 3.4347 7.5821 117.2443 64.1609 37.6375 177.7733 131 N 4.3315 8.0481 116.3967 56.0394 38.6366 177.0593 132 A 4.0267 7.9924 122.1265 55.0552 18.4876 179.6118 133 W 4.5195 8.5313 117.8759 60.2485 29.0362 178.3621 134 N 4.4160 8.8384 116.7475 56.6328 37.8745 177.6634 135 R 3.8152 7.7984 118.8490 59.0056 29.8557 179.1482 136 F 3.7832 7.9221 116.3949 60.2664 39.0429 177.3849 137 G 3.9359 8.2801 104.1656 47.9373 0.0000 175.6358 138 V 3.9537 7.9515 120.0896 65.3744 31.6670 178.5371 139 G 3.5187 7.8844 103.4599 46.1429 0.0000 172.9581 *141 G 3.5375 7.9787 108.3651 44.8999 0.0000 172.4642 *143 Q 4.2325 8.4643 124.9116 54.9803 30.1293 172.9349 144 P 4.6355 0.0000 0.0000 63.2051 31.3750 176.0521 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 T 8.07 4.75 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 1.16 0.00 0.00 4 R 8.40 4.09 0.00 1.93 2.04 0.00 3.25 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.88 0.00 5 L 8.14 4.34 0.00 1.48 1.63 0.97 1.07 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 6 E 8.64 4.38 0.00 2.06 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 2.32 2.28 0.00 7 W 8.41 4.36 0.00 3.73 3.41 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 8 A 6.89 3.31 0.16 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 9 K 7.60 3.94 0.00 1.85 1.82 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.32 7.81 10 A 7.77 4.35 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 11 S 8.27 4.58 0.00 3.92 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 12 P 0.00 4.34 0.00 2.21 2.13 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 13 D 8.16 4.36 0.00 2.74 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 14 A 7.71 4.09 1.66 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 15 Y 7.83 4.08 0.00 2.44 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 16 A 8.37 4.11 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 17 A 8.07 4.22 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.44 0.00 1.77 1.72 0.75 0.85 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 20 G 8.17 3.71 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 21 L 7.59 4.06 0.00 1.86 1.82 0.81 0.86 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 22 E 8.25 4.19 0.00 2.24 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 2.92 2.59 0.00 23 K 8.09 3.97 0.00 1.87 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.65 7.81 24 A 8.08 4.17 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 25 L 8.17 4.06 0.00 1.98 1.99 0.87 0.91 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 26 A 8.16 4.01 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 27 K 7.63 4.26 0.00 1.95 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.45 7.81 28 A 7.32 4.39 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 29 G 8.80 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 30 L 7.72 4.04 0.00 1.86 1.61 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.99 3.92 0.00 2.13 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 2.44 2.48 0.00 32 R 8.80 3.82 0.00 1.89 1.93 0.00 3.17 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 33 P 0.00 4.29 0.00 2.22 2.11 0.00 3.59 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 2.12 2.15 0.00 34 L 7.84 4.00 0.00 1.78 1.88 1.11 1.05 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 35 I 7.65 3.71 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.60 0.63 0.00 0.00 36 E 8.60 3.91 0.00 1.95 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 2.48 2.46 0.00 37 L 7.82 4.00 0.00 1.85 1.65 1.08 1.41 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 38 V 8.02 3.57 2.38 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 1.12 0.00 0.00 0.97 0.00 0.00 39 Y 8.45 3.88 0.00 3.17 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 40 L 8.34 4.00 0.00 1.87 1.80 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.13 4.18 0.00 1.97 1.92 0.00 3.57 0.00 0.00 3.57 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 42 T 7.97 3.86 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 1.14 0.00 0.00 43 S 8.26 4.33 0.00 4.12 3.97 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 44 Q 8.10 3.99 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 45 I 7.64 3.85 2.02 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 1.56 0.60 0.91 0.00 0.00 46 N 8.21 4.71 0.00 2.79 2.85 0.00 0.00 7.04 7.08 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 47 G 7.72 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 48 C 8.06 4.52 0.00 3.07 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 49 A 8.41 4.02 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 50 Y 8.10 4.05 0.00 3.02 3.14 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 0.00 51 C 8.20 4.31 0.00 3.24 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 52 V 8.09 3.82 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 1.02 0.00 0.00 1.06 0.00 0.00 53 N 7.95 4.25 0.00 2.83 2.78 0.00 0.00 7.28 7.49 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 *55 H 8.20 4.62 0.00 3.43 3.45 0.00 5.67 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 56 A 8.25 4.00 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 57 N 8.14 4.25 0.00 2.73 2.83 0.00 0.00 7.10 7.43 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 58 D 7.99 4.27 0.00 2.64 2.66 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 59 A 7.82 3.97 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 60 R 8.34 4.33 0.00 1.96 2.12 0.00 3.13 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 61 K 8.14 4.07 0.00 1.92 1.91 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.67 1.43 7.81 62 A 7.26 4.52 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 63 G 8.35 3.49 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 64 E 9.68 4.10 0.00 2.24 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 0.00 2.26 2.35 0.00 65 T 7.87 4.67 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 1.10 0.00 0.00 66 E 8.73 3.99 0.00 1.98 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 2.29 0.00 67 Q 7.97 3.77 0.00 1.86 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 1.16 1.65 0.00 68 R 7.62 3.93 0.00 1.83 2.00 0.00 3.04 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.36 0.00 69 L 7.82 4.11 0.00 1.77 1.78 0.99 0.80 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 70 Q 8.38 4.21 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.68 2.43 0.00 71 A 7.89 4.53 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.11 0.00 2.18 1.84 0.66 0.72 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 73 C 8.35 4.55 0.00 3.23 3.25 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 74 V 7.97 4.47 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 0.89 0.00 0.00 1.11 0.00 0.00 75 W 8.33 4.62 0.00 2.97 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 76 Q 6.96 3.12 0.00 1.47 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.56 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 77 E 7.64 4.58 0.00 1.91 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 2.11 2.27 0.00 78 T 7.57 4.48 3.60 0.00 0.00 0.00 0.00 0.00 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 79 P 0.00 4.64 0.00 2.12 2.09 0.00 2.33 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 80 Y 7.00 4.44 0.00 2.27 2.44 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 81 F 7.79 5.12 0.00 3.15 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 82 T 8.70 4.22 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 1.29 0.00 0.00 83 P 0.00 4.25 0.00 2.22 2.21 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 84 R 7.82 3.54 0.00 1.69 1.83 0.00 2.93 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 1.60 0.81 0.00 85 E 8.23 4.04 0.00 2.36 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 2.42 2.43 0.00 86 R 8.28 3.56 0.00 2.09 2.22 0.00 3.47 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 87 A 7.98 4.05 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 88 A 7.95 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.64 0.00 0.27 0.13 -0.25 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.09 4.34 1.66 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 91 W 8.35 4.25 0.00 3.49 3.24 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 92 T 8.27 3.82 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 1.23 0.00 0.00 93 E 8.36 4.03 0.00 2.24 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 0.00 2.73 3.05 0.00 94 Q 8.07 4.09 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.64 2.58 0.00 95 L 7.64 3.85 0.00 1.35 1.43 -0.08 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.87 4.11 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 97 R 7.36 4.56 0.00 1.80 1.88 0.00 3.13 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 1.54 1.76 0.00 98 L 7.94 3.89 0.00 1.83 1.59 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.02 4.17 0.00 3.98 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 0.00 100 Q 8.60 4.28 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 101 G 6.21 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 0.00 102 A 7.80 4.67 1.22 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 0.00 0.00 0.00 103 L 8.13 4.11 0.00 1.70 1.62 0.77 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.23 0.00 2.03 2.00 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 105 H 8.16 4.84 0.00 3.27 3.02 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 9.79 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 0.00 107 L 8.36 4.06 0.00 1.95 2.05 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.19 3.62 0.00 1.95 1.72 0.68 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 109 D 8.16 4.37 0.00 2.87 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 0.00 110 E 8.20 4.65 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 2.38 2.52 0.00 111 L 8.00 4.06 0.00 1.66 1.59 0.62 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.96 4.27 0.00 2.00 1.96 0.00 3.13 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 113 E 8.04 4.05 0.00 2.14 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 0.00 2.27 2.31 0.00 114 H 7.98 4.51 0.00 2.61 2.73 0.00 5.64 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 0.00 115 F 8.13 5.06 0.00 3.04 2.81 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 0.00 116 D 9.01 4.63 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.50 4.39 0.00 2.79 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 0.00 118 K 8.06 3.95 0.00 1.83 1.97 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.54 7.81 119 E 8.97 4.17 0.00 2.43 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 2.46 2.41 0.00 120 I 7.89 3.45 1.45 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.92 0.00 0.00 121 A 8.00 3.99 1.43 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 0.00 0.00 0.00 122 E 8.26 3.90 0.00 2.16 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 2.34 2.48 0.00 123 L 8.17 3.90 0.00 1.48 1.67 0.91 0.08 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 0.00 124 T 8.22 4.13 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 125 L 8.23 3.94 0.00 1.86 1.83 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.66 4.25 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 0.00 127 V 8.11 3.49 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 0.89 0.00 0.00 1.00 0.00 0.00 128 S 8.21 4.06 0.00 4.04 3.86 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 0.00 0.00 0.00 129 A 8.23 3.93 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.58 3.43 0.56 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.00 0.72 0.00 0.00 131 N 8.05 4.33 0.00 2.89 2.80 0.00 0.00 7.02 6.86 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 0.00 132 A 7.99 4.03 1.27 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 0.00 133 W 8.53 4.52 0.00 3.49 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 0.00 134 N 8.84 4.42 0.00 2.86 2.90 0.00 0.00 7.05 7.44 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 0.00 135 R 7.80 3.82 0.00 1.80 1.66 0.00 3.26 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 136 F 7.92 3.78 0.00 3.05 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 0.00 137 G 8.28 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 0.00 138 V 7.95 3.95 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 0.84 0.00 0.00 1.06 0.00 0.00 139 G 7.88 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 *141 G 7.98 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *143 Q 8.46 4.23 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 144 P 0.00 4.64 0.00 2.23 2.03 0.00 3.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 * Residues marked with a * may have inaccurate shift predictions.