NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1387 8.0932 114.7983 57.7949 64.4668 174.4077 2 L 4.1399 8.3531 121.2063 57.5186 40.9852 178.5788 3 L 4.1273 8.5462 119.8869 57.4748 41.4818 178.8713 4 E 4.1810 8.3086 118.8443 59.1207 29.5408 178.7484 5 F 4.6999 8.4554 120.4200 61.5500 39.5081 177.2979 6 G 3.5239 8.6846 105.7379 47.3088 0.0000 175.7465 7 K 3.9968 7.7223 120.6079 59.7370 32.3255 178.7883 8 M 4.1110 8.2458 118.9626 58.4428 31.7726 178.7050 9 I 3.5644 7.5801 119.8210 64.4706 37.3019 178.2942 10 L 4.3074 7.7976 122.2396 57.4784 41.5978 178.9809 11 E 3.9335 7.9637 117.8941 59.6454 29.6304 178.8867 12 E 4.1566 8.6069 117.7045 58.6239 29.5931 178.4487 13 T 4.4321 8.3408 108.4947 60.8913 70.7196 175.7929 14 G 3.7935 7.8626 109.3578 45.3733 0.0000 172.9716 *16 K 4.7644 7.4374 117.5530 56.0891 33.2631 174.7369 17 L 4.2869 8.2557 120.7249 53.9993 42.9170 176.7650 18 A 4.1397 8.8722 126.9611 55.1532 18.3434 177.2224 19 I 4.6492 7.4992 114.6431 59.6545 38.9154 174.2204 20 P 4.4285 0.0000 0.0000 66.2764 31.8051 179.1041 21 S 4.4864 7.6028 111.9838 61.8170 62.7760 175.2995 22 Y 4.6327 7.8008 113.8757 57.4453 38.6779 176.2041 23 S 4.4076 8.0815 114.5780 58.4046 64.7180 174.4851 24 S 4.6485 7.6515 116.7318 57.7741 62.5026 172.9568 25 Y 4.6883 7.8689 120.8745 57.3683 41.3691 175.0900 26 G 3.7670 8.2623 116.8925 46.7585 0.0000 173.0757 27 C 4.5967 9.3776 116.3536 57.4579 41.1828 174.7934 28 Y 4.1313 8.3744 114.9724 58.1639 39.5696 174.9943 29 C 4.5848 8.1687 116.9070 59.7864 40.0204 171.4543 30 G 3.3493 6.9438 118.5449 44.3217 0.0000 173.6322 31 W 4.7625 8.2111 123.0492 56.8618 31.4504 176.5209 32 G 3.8124 8.5017 106.6281 48.3558 0.0000 173.1550 33 G 3.6561 7.8648 108.2480 44.7255 0.0000 172.5821 34 K 4.5175 7.4122 117.8272 56.3387 37.4212 178.4561 35 G 3.9389 8.8598 107.7214 44.9257 0.0000 172.1269 36 T 4.5329 8.2043 116.7959 60.7545 70.6598 172.2713 37 P 4.4786 0.0000 0.0000 63.3940 31.8030 176.3241 38 K 4.0876 8.5679 120.4366 57.7319 32.8733 175.6684 39 D 4.3261 7.3939 116.0778 51.1553 41.8890 175.5576 40 A 3.9863 8.7434 120.2099 56.2436 17.8589 179.9148 41 T 3.9928 7.8949 113.2497 66.8484 68.6753 176.3378 42 D 4.5799 8.7817 120.2582 57.3992 41.1246 178.5685 43 R 4.0039 8.3830 119.0489 59.2710 29.9240 178.0628 44 C 4.1695 8.3415 116.4794 60.2791 34.3982 175.2848 45 C 4.2608 8.1406 115.8758 58.7504 38.3289 175.9797 46 F 3.8665 7.9678 122.3969 61.2181 39.0078 177.4038 47 V 3.3048 8.1569 118.2822 65.8831 31.2204 177.5005 48 H 3.8481 7.7103 118.4492 59.0541 29.6061 176.3739 49 D 4.3617 7.3505 116.6764 54.4519 39.6159 176.8956 50 C 4.2355 7.3692 118.8916 59.9593 34.4381 174.9358 51 C 4.1320 7.8650 120.2150 59.7837 41.4942 175.0523 52 Y 4.2076 7.9954 117.8261 60.0634 37.2256 177.7357 53 G 3.8437 7.6120 107.7403 47.0686 0.0000 174.1979 54 N 4.6346 7.8270 115.4777 53.5724 39.3701 175.3045 55 L 4.7751 6.9908 116.9340 53.1662 41.4127 175.1100 56 P 4.2056 0.0000 0.0000 65.5617 32.3060 178.6730 *59 D 4.7363 7.8481 114.4929 53.3074 41.1219 175.2325 *61 C 5.3133 7.9010 116.8912 57.3727 35.6951 172.5788 *67 N 4.6853 7.9672 115.4084 52.0048 37.0436 172.6508 68 P 4.0018 0.0000 0.0000 66.1804 32.1649 178.6042 69 K 4.0842 8.2021 118.8998 58.6593 32.2461 178.0223 70 S 4.5359 7.7820 110.2446 58.4395 65.0498 173.8652 71 D 4.3349 7.8326 120.6437 54.3325 41.1563 175.4765 72 R 4.4720 8.7312 125.5422 54.5038 31.1903 175.1476 73 Y 4.9495 7.7801 119.3051 54.9540 41.3283 174.3680 74 K 4.9981 8.5760 118.0599 54.9684 35.7808 175.0756 75 Y 5.5369 8.2557 120.0803 56.1993 41.8053 173.2469 76 K 4.5215 9.2741 118.2002 56.3741 36.4555 174.3696 77 R 5.8136 8.5024 117.7886 53.9145 33.2551 176.3998 78 V 4.1612 7.8576 120.9843 61.8733 33.6164 175.1068 79 N 3.9294 9.6508 126.9004 54.5359 35.6547 175.7532 80 G 3.8758 8.3204 103.3522 45.7304 0.0000 173.4107 81 A 4.7283 7.4799 121.9977 50.1908 21.3455 176.7761 82 I 4.3986 8.2595 122.1008 61.3372 38.1030 175.8040 83 V 4.4356 9.2040 126.7222 61.1968 34.8289 173.5799 84 C 4.8798 8.9026 125.6766 56.3981 40.5311 173.5399 85 E 4.3033 8.8666 124.1320 56.0753 29.7143 177.0487 86 K 4.1074 8.5330 122.0492 56.2412 33.8621 176.3392 *88 G 4.3548 8.1488 111.4943 45.4196 0.0000 173.4910 89 T 4.1994 8.5483 114.0385 61.1213 71.1374 175.5212 90 S 4.0710 8.6524 116.5240 62.0234 62.2783 177.2853 91 C 4.2248 8.0925 118.3046 60.1768 35.4658 175.4672 92 E 3.9976 8.0018 119.4636 59.8728 29.1775 179.5325 93 N 4.2423 8.2124 116.0843 56.3360 38.7123 177.8321 94 R 3.8545 8.0171 119.4497 59.1679 30.1686 179.0205 95 I 3.6049 8.1242 120.0029 64.6003 37.0126 177.6626 96 C 3.4511 7.6168 118.9797 59.3281 41.1788 175.4635 97 E 3.5999 7.8978 120.0857 59.3459 29.0433 178.6439 98 C 4.1303 7.9328 116.3218 60.1061 41.2234 175.9817 99 D 3.8119 7.8102 120.2633 56.9491 40.4790 178.4615 100 K 3.6737 8.5021 120.6800 59.6250 32.0677 178.4920 101 A 3.8536 7.8286 120.4612 55.0053 18.2658 179.3873 102 A 3.4645 7.7013 118.8161 55.1656 18.4018 179.7524 103 A 3.7251 8.0082 119.3160 55.2780 18.3831 179.9813 104 I 3.6432 7.5619 118.2314 64.4999 36.6010 177.7889 105 C 4.2008 8.1910 119.5756 59.7174 43.1857 175.7029 106 F 4.4970 7.6762 118.5259 60.5701 38.8083 177.3655 107 R 4.1021 7.8714 118.0854 59.4742 29.7540 178.4884 108 Q 4.2274 8.2469 116.4339 57.7712 28.7951 176.8259 109 N 5.0490 7.4975 115.6368 52.8797 39.2537 176.4038 110 L 4.1880 7.8819 120.8083 57.2635 41.9427 179.1646 111 N 4.2868 8.3443 117.1063 56.1833 38.9858 175.3434 112 T 4.4319 7.5657 104.7412 61.1351 69.5660 173.7297 113 Y 4.0741 7.7596 125.1583 58.1056 38.7554 174.9397 114 S 5.0982 8.4801 121.2495 56.2317 66.0707 175.3241 115 K 4.1225 8.5298 121.1983 58.3220 32.1011 178.9697 116 K 3.9843 7.7522 117.1588 58.6902 32.8376 176.9785 117 Y 4.1662 7.0176 116.5232 57.8030 38.2388 175.1528 118 M 4.5147 7.4391 120.2992 55.9447 32.7606 176.0548 119 L 3.6497 9.0161 122.0967 55.6364 40.0035 174.6873 120 Y 4.0962 7.9808 118.2225 56.8706 39.6902 173.6623 121 P 4.0890 0.0000 0.0000 62.0212 32.3569 176.7737 122 D 4.0904 8.5342 121.9742 57.2150 41.1740 178.1226 *124 F 4.8459 7.8218 110.6732 56.3373 39.5062 175.0991 125 L 4.3081 6.9932 120.1133 54.9338 41.6623 175.8486 126 C 4.8925 7.8224 117.6509 55.1492 41.3565 174.2557 127 K 4.3194 8.7957 131.1164 56.0186 30.2129 180.9464 128 G 3.9671 8.7073 122.8388 44.9650 0.0000 171.2907 129 E 4.7824 8.5215 116.9247 54.1950 31.0591 175.2461 130 L 4.8005 8.4734 124.3644 53.1029 44.8977 175.2215 131 K 4.6898 8.3610 123.6653 54.7133 36.1842 175.2426 *133 C 4.8162 8.5755 113.3875 55.9480 42.9197 173.7038 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 S 8.09 5.14 0.00 4.18 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 2 L 8.35 4.14 0.00 1.93 1.96 1.30 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.55 4.13 0.00 1.78 1.72 0.97 0.85 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 4 E 8.31 4.18 0.00 1.84 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 1.83 2.27 0.00 5 F 8.46 4.70 0.00 3.38 3.33 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 6 G 8.68 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 7 K 7.72 4.00 0.00 2.13 2.18 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.27 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.76 1.54 7.81 8 M 8.25 4.11 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 1.91 0.00 9 I 7.58 3.56 1.83 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.36 0.67 0.00 0.00 10 L 7.80 4.31 0.00 1.77 1.82 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.96 3.93 0.00 2.23 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 0.00 2.40 2.52 0.00 12 E 8.61 4.16 0.00 1.93 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 2.46 2.42 0.00 13 T 8.34 4.43 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 14 G 7.86 3.79 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 0.00 0.00 0.00 *16 K 7.44 4.76 0.00 1.85 1.66 0.00 1.29 0.00 0.00 1.51 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.23 7.81 17 L 8.26 4.29 0.00 1.74 1.68 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.87 4.14 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 19 I 7.50 4.65 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.78 0.99 0.00 0.00 20 P 0.00 4.43 0.00 2.19 2.10 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 21 S 7.60 4.49 0.00 3.82 3.37 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 22 Y 7.80 4.63 0.00 2.71 2.54 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 23 S 8.08 4.41 0.00 4.01 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 24 S 7.65 4.65 0.00 3.99 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 0.00 25 Y 7.87 4.69 0.00 2.98 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 26 G 8.26 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 27 C 9.38 4.60 0.00 3.13 3.15 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 28 Y 8.37 4.13 0.00 3.16 3.09 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 29 C 8.17 4.58 0.00 3.28 3.35 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 30 G 6.94 3.35 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 0.00 31 W 8.21 4.76 0.00 3.55 3.19 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 0.00 0.00 0.00 0.00 32 G 8.50 3.81 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 0.00 0.00 0.00 33 G 7.86 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 34 K 7.41 4.52 0.00 1.58 1.64 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 35 G 8.86 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 36 T 8.20 4.53 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 1.13 0.00 0.00 37 P 0.00 4.48 0.00 1.84 1.91 0.00 3.33 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.50 0.00 38 K 8.57 4.09 0.00 0.88 1.23 0.00 2.01 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 0.84 7.81 39 D 7.39 4.33 0.00 2.69 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 40 A 8.74 3.99 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 41 T 7.89 3.99 4.02 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 0.84 0.00 0.00 42 D 8.78 4.58 0.00 2.93 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 43 R 8.38 4.00 0.00 2.05 1.97 0.00 3.14 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.87 0.00 44 C 8.34 4.17 0.00 3.47 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 45 C 8.14 4.26 0.00 3.33 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 46 F 7.97 3.87 0.00 2.49 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 47 V 8.16 3.30 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 0.83 0.00 0.00 1.00 0.00 0.00 48 H 7.71 3.85 0.00 3.06 3.26 0.00 5.63 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 49 D 7.35 4.36 0.00 2.88 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 50 C 7.37 4.24 0.00 2.77 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 51 C 7.86 4.13 0.00 3.01 3.08 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 52 Y 8.00 4.21 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 53 G 7.61 3.84 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 0.00 0.00 0.00 54 N 7.83 4.63 0.00 2.84 2.83 0.00 0.00 6.79 8.35 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 55 L 6.99 4.78 0.00 1.56 1.52 0.83 0.93 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 56 P 0.00 4.21 0.00 2.17 2.09 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 *59 D 7.85 4.74 0.00 2.83 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 *61 C 7.90 5.31 0.00 2.93 3.09 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 *67 N 7.97 4.69 0.00 2.94 3.00 0.00 0.00 6.71 7.76 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 68 P 0.00 4.00 0.00 1.12 0.69 0.00 3.36 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.65 0.00 69 K 8.20 4.08 0.00 1.88 1.84 0.00 1.69 0.00 0.00 1.92 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.52 7.81 70 S 7.78 4.54 0.00 3.97 3.93 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 D 7.83 4.33 0.00 2.67 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 72 R 8.73 4.47 0.00 1.81 1.75 0.00 3.23 0.00 0.00 2.38 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 73 Y 7.78 4.95 0.00 3.04 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 74 K 8.58 5.00 0.00 1.76 1.72 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.44 7.81 75 Y 8.26 5.54 0.00 3.12 3.08 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 76 K 9.27 4.52 0.00 1.78 1.92 0.00 1.42 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.45 7.81 77 R 8.50 5.81 0.00 1.72 1.89 0.00 3.27 0.00 0.00 3.87 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 78 V 7.86 4.16 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 1.05 0.00 0.00 0.95 0.00 0.00 79 N 9.65 3.93 0.00 2.91 2.88 0.00 0.00 7.18 7.65 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 80 G 8.32 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 0.00 0.00 0.00 81 A 7.48 4.73 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 82 I 8.26 4.40 1.81 0.00 0.00 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 1.20 0.58 0.70 0.00 0.00 83 V 9.20 4.44 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 1.08 0.00 0.00 1.01 0.00 0.00 84 C 8.90 4.88 0.00 2.85 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 85 E 8.87 4.30 0.00 2.04 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 2.41 2.45 0.00 86 K 8.53 4.11 0.00 1.84 1.67 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.54 7.81 *88 G 8.15 4.35 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 0.00 89 T 8.55 4.20 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 90 S 8.65 4.07 0.00 3.89 3.90 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 91 C 8.09 4.22 0.00 2.99 3.09 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 92 E 8.00 4.00 0.00 2.19 2.16 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 2.54 2.41 0.00 93 N 8.21 4.24 0.00 2.92 2.80 0.00 0.00 7.06 6.94 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 94 R 8.02 3.85 0.00 1.91 1.91 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 95 I 8.12 3.60 1.83 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 1.19 0.75 0.95 0.00 0.00 96 C 7.62 3.45 0.00 1.79 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 97 E 7.90 3.60 0.00 2.11 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 2.45 2.42 0.00 98 C 7.93 4.13 0.00 3.25 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 99 D 7.81 3.81 0.00 2.79 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 0.00 100 K 8.50 3.67 0.00 1.68 1.86 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.35 1.37 7.81 101 A 7.83 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 0.00 102 A 7.70 3.46 1.13 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 0.00 103 A 8.01 3.73 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 0.00 104 I 7.56 3.64 1.91 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 1.36 0.61 0.87 0.00 0.00 105 C 8.19 4.20 0.00 2.99 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 0.00 106 F 7.68 4.50 0.00 3.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.87 4.10 0.00 1.97 2.06 0.00 3.10 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 Q 8.25 4.23 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 109 N 7.50 5.05 0.00 2.94 2.85 0.00 0.00 6.83 6.62 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 0.00 110 L 7.88 4.19 0.00 1.86 1.72 0.97 0.32 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 0.00 111 N 8.34 4.29 0.00 2.70 2.89 0.00 0.00 6.91 7.70 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 0.00 112 T 7.57 4.43 4.31 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 1.26 0.00 0.00 113 Y 7.76 4.07 0.00 3.10 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 0.00 114 S 8.48 5.10 0.00 3.98 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 0.00 115 K 8.53 4.12 0.00 1.83 1.88 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.62 1.52 7.81 116 K 7.75 3.98 0.00 1.54 1.73 0.00 1.19 0.00 0.00 1.50 0.00 0.00 2.57 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.05 0.35 7.81 117 Y 7.02 4.17 0.00 1.76 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 M 7.44 4.51 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 119 L 9.02 3.65 0.00 1.72 1.73 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.98 4.10 0.00 2.94 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 0.00 121 P 0.00 4.09 0.00 0.73 1.16 0.00 2.58 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 122 D 8.53 4.09 0.00 2.63 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 *124 F 7.82 4.85 0.00 3.14 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 0.00 125 L 6.99 4.31 0.00 1.12 1.54 0.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.82 4.89 0.00 3.12 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 0.00 127 K 8.80 4.32 0.00 1.78 1.11 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.64 1.43 7.81 128 G 8.71 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 0.00 0.00 0.00 129 E 8.52 4.78 0.00 2.11 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 2.21 2.28 0.00 130 L 8.47 4.80 0.00 1.58 1.66 0.86 -0.05 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 0.00 131 K 8.36 4.69 0.00 1.82 1.70 0.00 1.81 0.00 0.00 1.94 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.38 7.81 *133 C 8.58 4.82 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.