NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 R 4.2630 8.2544 119.7093 57.0665 31.9024 174.8115 19 R 3.0826 8.6422 120.8073 57.4530 29.8280 175.2378 20 R 3.7670 9.2716 117.0034 56.5366 31.8333 175.3048 21 Y 4.7736 7.9747 118.0744 58.4309 39.4028 174.9284 22 K 4.9607 9.6021 124.3478 54.6754 35.3130 174.7619 23 V 4.8567 9.0925 127.2766 60.9995 34.7866 173.6713 24 L 4.8711 8.9416 130.4071 53.9826 43.8100 174.9821 25 V 4.8743 8.8617 126.6273 61.2051 33.7098 174.2115 26 A 4.9600 9.1653 129.1465 50.2621 22.8248 175.5403 27 K 5.0541 8.1115 120.3699 54.3181 34.4206 176.2489 *29 G 3.9773 8.2742 108.3075 45.3307 0.0000 173.0276 30 L 4.0337 8.8091 124.6447 54.7670 42.0660 177.3167 31 D 4.5564 8.5019 123.0805 53.1753 39.8027 175.0132 32 G 4.1975 7.7994 113.8243 43.5836 0.0000 168.7474 33 H 4.4950 8.7217 117.2741 55.1687 28.7302 175.1760 34 D 4.8057 8.3627 125.5695 52.4569 40.5421 176.1724 35 R 4.2116 8.3606 125.0094 58.4616 30.2261 178.2289 36 G 3.8366 8.2309 105.0549 47.9353 0.0000 175.3343 37 A 3.9002 8.0396 122.7940 54.6694 18.3633 179.6166 38 K 3.4016 7.9306 117.6873 59.4867 32.3253 179.0409 39 V 3.5027 7.3401 117.1643 65.8689 31.3995 178.2348 40 V 3.4661 7.9782 118.1181 65.7346 31.4694 177.8149 41 A 3.8003 7.7236 120.5530 55.2425 18.0938 179.6882 42 R 3.8696 8.1708 117.1291 59.2992 30.0885 178.5778 43 A 3.9791 8.0802 120.8705 54.9692 18.3218 179.6248 44 L 4.0387 8.1050 117.7769 57.8145 41.5544 179.9461 45 R 4.3040 7.7776 119.1429 58.9282 29.8615 178.8104 46 D 4.4059 8.3372 117.4669 56.6495 40.7248 177.4944 47 A 4.6340 7.7727 120.0578 51.7726 19.1143 177.9597 48 G 3.8031 8.1532 107.0866 46.7453 0.0000 174.4364 49 F 4.5442 8.0832 118.5897 56.6279 40.8864 174.4172 50 E 4.3889 9.1148 123.3733 55.9222 30.7077 175.4052 51 V 4.8749 8.4436 126.4295 61.1247 34.3529 174.4687 52 V 4.2269 8.8377 128.7475 61.9394 32.8718 174.3269 53 Y 5.2775 8.6127 129.6674 56.6979 40.8247 175.2106 54 T 3.8634 8.5340 117.9554 62.1868 69.5617 176.1682 55 G 3.4972 6.7130 108.7216 44.6301 0.0000 172.8585 56 L 4.6973 6.9830 118.6263 52.0817 44.2425 176.3454 57 R 4.2513 8.4759 122.5985 57.1338 30.5052 175.5411 58 Q 4.9864 8.6773 123.7543 54.2000 32.9482 175.1736 59 T 4.2685 8.9652 111.9070 60.6236 70.3482 173.9828 60 P 4.2550 0.0000 0.0000 65.8556 31.0318 178.8178 61 E 4.0161 8.0257 115.2802 59.4660 29.8612 178.6529 62 Q 4.1099 7.6883 118.0663 58.5088 28.9313 178.8371 63 V 3.7670 7.9889 119.0643 65.8469 31.6977 178.7819 64 A 4.0367 7.7921 116.7402 52.9418 18.0423 178.7991 *66 A 4.1500 7.9560 124.4423 53.6138 20.8160 179.8632 67 A 3.9981 8.3485 119.0169 55.3926 18.6885 180.0336 68 V 3.7528 7.7674 115.0036 65.6654 31.9428 178.2954 69 Q 4.0128 8.1307 117.8650 58.5906 28.6264 176.7621 70 E 4.2418 8.6089 115.0450 55.6022 30.4076 175.2551 71 D 4.3128 7.5111 118.2054 55.2823 39.9782 173.2256 72 V 4.0244 7.7300 111.6723 61.6076 32.7910 176.6268 73 D 4.7360 9.0693 121.3588 56.1989 41.8382 177.6564 74 V 4.6114 7.5831 116.9298 61.3363 35.5172 173.5748 75 I 4.7391 8.8417 128.5203 59.6884 39.3046 174.6638 76 G 4.3340 9.5462 115.2992 44.4637 0.0000 172.0348 77 V 4.9815 8.7007 126.2248 61.1516 34.3698 174.3870 78 S 5.1262 9.0803 121.5484 56.6828 64.7194 172.6571 79 I 4.6398 8.5492 129.1237 59.3937 38.5014 176.7057 80 L 4.0194 8.7714 128.7601 58.4059 41.0485 177.1862 81 N 4.5103 6.9919 113.6525 51.6288 41.8265 174.3658 82 G 3.6274 7.7959 109.5085 46.3763 0.0000 172.3657 83 A 4.4599 7.5813 120.9408 50.5116 18.0920 177.4574 84 H 4.1726 8.4694 118.3771 59.1819 29.3095 177.5108 85 L 4.1474 7.9463 117.7438 57.9977 42.0505 177.9724 86 H 4.3361 8.2267 117.9759 59.0311 30.2855 176.9318 87 L 3.9505 7.9624 115.9706 55.5554 40.8497 178.4295 *89 K 4.2087 8.0339 121.7339 56.5678 34.0705 177.2878 90 R 4.0163 7.7916 117.4933 59.1580 30.1972 178.8861 91 L 4.0267 7.9441 117.1550 55.5150 41.5447 178.2468 *93 A 4.2280 8.1071 121.9282 51.5691 20.5866 179.8586 94 K 3.9528 7.9751 116.0957 59.3009 32.1048 178.8914 95 L 3.9356 8.0823 119.5946 57.9927 41.7119 179.4017 96 R 4.0325 7.9954 117.8172 59.4454 29.7359 177.6523 97 E 3.9445 8.1820 118.1593 59.4354 29.7361 178.2745 98 L 4.3561 7.7611 115.0890 54.4233 41.7519 177.3653 99 G 3.8905 7.7017 106.1808 46.4631 0.0000 174.1383 100 A 4.7599 8.1374 122.1224 51.5279 19.4083 178.6218 101 D 4.6969 8.1705 118.4206 55.6782 40.1109 176.5412 102 D 4.5328 7.7981 118.9671 55.5252 41.5621 176.3671 103 I 3.9795 7.3145 121.0533 60.4337 37.4108 174.4472 104 P 4.4410 0.0000 0.0000 62.7048 32.8664 175.2936 105 V 4.8308 8.3374 121.6594 61.2484 34.4394 174.4501 106 V 4.7503 8.8080 120.4149 59.3456 35.5532 174.2595 107 L 5.0594 8.3428 124.5854 53.2543 45.3389 175.4146 108 G 4.5073 10.7217 113.1861 44.0414 0.0000 173.7587 109 G 4.2675 7.6313 108.0729 45.0536 0.0000 171.8268 110 T 4.4689 7.9194 111.2821 60.2766 68.0718 173.2931 111 I 4.2352 7.7817 128.0405 58.6229 39.1519 174.5258 112 P 4.4107 0.0000 0.0000 62.4574 32.1821 177.4037 113 I 3.6788 8.4776 122.5862 64.1986 36.8606 176.9251 114 P 4.3828 0.0000 0.0000 64.7634 31.4699 177.3394 115 D 4.6282 8.1615 117.2253 55.1405 41.1028 178.5071 116 L 3.9060 7.6621 120.4586 57.8662 41.6479 179.1837 117 E 3.9334 8.0621 117.7747 58.9997 29.2890 177.2650 118 P 4.2519 0.0000 0.0000 65.7725 31.7192 178.3036 119 L 4.1200 7.8914 117.4617 57.9052 41.4971 179.7318 120 R 4.0786 8.0044 117.9890 59.4326 29.7458 179.2948 121 S 4.1224 8.2961 114.4060 61.2601 62.8592 176.1290 122 L 4.2397 7.5432 120.0574 55.7056 41.4108 177.8268 123 G 3.9827 7.8753 107.5954 45.0928 0.0000 173.6935 124 I 3.8714 7.3998 120.2220 61.3733 37.5029 176.3834 125 R 4.2274 8.8056 125.0334 58.6483 30.9310 176.9298 126 E 4.6026 7.7176 116.3809 54.7208 34.3312 174.3541 127 I 4.5714 8.0665 123.4827 59.5617 39.9733 175.2161 128 F 4.9426 9.1496 127.8322 56.0761 39.7718 176.1766 129 L 4.9239 8.3541 123.6315 52.3909 42.6918 176.3909 130 P 4.1936 0.0000 0.0000 66.0554 31.1532 178.0160 131 G 3.8097 7.9545 103.5119 46.4419 0.0000 173.3794 132 T 4.1646 7.8980 118.7494 62.7718 69.2917 175.6297 133 S 4.3747 8.3612 121.3014 57.7899 65.4189 175.2255 134 L 3.9429 8.3832 122.8540 57.9809 41.4258 180.0077 135 G 3.6222 7.9800 105.1220 47.7411 0.0000 175.1954 136 E 3.8993 7.9465 121.1825 58.9760 29.5821 178.7876 137 I 2.8355 7.3924 119.8138 64.3054 37.0196 178.4926 138 I 3.6002 7.5775 120.4045 64.2223 36.9472 178.1558 139 E 3.9808 8.0946 120.0830 59.3120 29.5207 179.0888 140 K 4.0623 8.2841 118.7045 59.3798 32.1533 179.5734 141 V 3.5662 8.0922 118.8394 65.8261 31.3719 177.8377 142 R 4.1429 8.4642 118.9244 59.6391 29.9399 178.3547 143 K 3.9257 8.1756 119.1519 59.5470 32.0896 178.7916 144 L 3.9872 7.9648 119.0826 57.6244 41.5652 179.3005 145 A 3.8336 7.9967 120.8295 54.6436 18.0002 179.3600 146 E 3.7544 7.6219 118.6350 58.7642 29.8269 178.2882 147 E 4.0446 7.8300 118.0352 59.1742 30.0190 178.2698 148 K 4.1066 8.2335 119.8743 59.4879 32.1239 179.3212 149 R 4.2352 7.9275 116.6719 56.6144 29.5850 178.6072 *151 R 4.2004 7.9768 120.9208 56.5655 31.8824 177.0547 152 E 3.9776 8.2346 117.1604 59.6329 29.5039 178.8618 153 E 4.1300 8.4682 117.7378 57.9783 29.8703 176.6432 154 A 4.6472 7.1768 120.2838 51.9876 19.3860 177.8834 155 E 4.4155 7.8173 119.9344 56.4578 32.1356 175.9600 156 A 4.2835 8.3747 125.9382 52.1758 19.3970 175.4884 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 18 R 8.25 4.26 0.00 1.81 1.94 0.00 3.32 0.00 0.00 3.22 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 19 R 8.64 3.08 0.00 1.89 1.71 0.00 3.28 0.00 0.00 3.18 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 20 R 9.27 3.77 0.00 1.80 1.80 0.00 3.42 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 21 Y 7.97 4.77 0.00 2.95 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 22 K 9.60 4.96 0.00 1.90 1.71 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.42 7.81 23 V 9.09 4.86 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 0.96 0.00 0.00 0.80 0.00 0.00 24 L 8.94 4.87 0.00 1.75 1.54 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.86 4.87 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 0.81 0.00 0.00 0.87 0.00 0.00 26 A 9.17 4.96 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 27 K 8.11 5.05 0.00 1.75 1.78 0.00 2.01 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.74 1.46 7.81 *29 G 8.27 3.98 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 0.00 0.00 0.00 30 L 8.81 4.03 0.00 1.61 1.61 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.50 4.56 0.00 2.62 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 32 G 7.80 4.20 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 0.00 33 H 8.72 4.50 0.00 3.19 3.28 0.00 5.67 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 34 D 8.36 4.81 0.00 2.65 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 35 R 8.36 4.21 0.00 1.87 1.97 0.00 3.36 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 36 G 8.23 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 37 A 8.04 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.93 3.40 0.00 1.91 1.82 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.66 7.81 39 V 7.34 3.50 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 0.89 0.00 0.00 0.98 0.00 0.00 40 V 7.98 3.47 2.07 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 0.91 0.00 0.00 0.87 0.00 0.00 41 A 7.72 3.80 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 42 R 8.17 3.87 0.00 1.82 1.99 0.00 3.26 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 43 A 8.08 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.04 0.00 1.85 1.61 0.71 0.16 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 45 R 7.78 4.30 0.00 2.09 2.01 0.00 3.17 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 46 D 8.34 4.41 0.00 2.78 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 47 A 7.77 4.63 1.54 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 48 G 8.15 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 0.00 0.00 0.00 49 F 8.08 4.54 0.00 3.22 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 50 E 9.11 4.39 0.00 2.11 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 2.36 2.30 0.00 51 V 8.44 4.87 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 0.88 0.00 0.00 1.00 0.00 0.00 52 V 8.84 4.23 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 0.97 0.00 0.00 0.98 0.00 0.00 53 Y 8.61 5.28 0.00 3.04 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 54 T 8.53 3.86 4.12 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 1.15 0.00 0.00 55 G 6.71 3.50 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 0.00 0.00 0.00 56 L 6.98 4.70 0.00 1.49 1.51 0.91 1.21 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 57 R 8.48 4.25 0.00 1.82 1.83 0.00 3.37 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 58 Q 8.68 4.99 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 59 T 8.97 4.27 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 1.28 0.00 0.00 60 P 0.00 4.26 0.00 2.15 2.30 0.00 3.58 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 2.08 2.13 0.00 61 E 8.03 4.02 0.00 2.11 2.07 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 2.27 2.33 0.00 62 Q 7.69 4.11 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 63 V 7.99 3.77 2.22 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 1.10 0.00 0.00 0.99 0.00 0.00 64 A 7.79 4.04 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 *66 A 7.96 4.15 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 67 A 8.35 4.00 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 68 V 7.77 3.75 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 0.96 0.00 0.00 1.00 0.00 0.00 69 Q 8.13 4.01 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 70 E 8.61 4.24 0.00 2.02 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 2.34 2.40 0.00 71 D 7.51 4.31 0.00 2.68 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 72 V 7.73 4.02 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 0.76 0.00 0.00 0.97 0.00 0.00 73 D 9.07 4.74 0.00 2.75 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 74 V 7.58 4.61 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 1.11 0.00 0.00 0.93 0.00 0.00 75 I 8.84 4.74 1.86 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 1.17 0.64 0.91 0.00 0.00 76 G 9.55 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 77 V 8.70 4.98 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 0.82 0.00 0.00 0.93 0.00 0.00 78 S 9.08 5.13 0.00 3.93 3.76 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 79 I 8.55 4.64 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.01 0.87 0.00 0.00 80 L 8.77 4.02 0.00 1.75 1.83 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 81 N 6.99 4.51 0.00 2.77 2.62 0.00 0.00 6.99 7.93 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 82 G 7.80 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.58 4.46 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 84 H 8.47 4.17 0.00 3.12 3.39 0.00 5.90 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.95 4.15 0.00 1.66 1.75 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 86 H 8.23 4.34 0.00 3.23 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.96 3.95 0.00 1.87 1.64 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *89 K 8.03 4.21 0.00 1.83 1.99 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.46 7.81 90 R 7.79 4.02 0.00 2.05 1.91 0.00 3.02 0.00 0.00 2.89 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 91 L 7.94 4.03 0.00 1.87 1.60 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 *93 A 8.11 4.23 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 94 K 7.98 3.95 0.00 1.99 1.80 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.51 7.81 95 L 8.08 3.94 0.00 1.71 1.87 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 96 R 8.00 4.03 0.00 1.86 2.07 0.00 3.19 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 97 E 8.18 3.94 0.00 2.11 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 2.33 2.37 0.00 98 L 7.76 4.36 0.00 1.79 1.69 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.70 3.89 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 0.00 0.00 0.00 100 A 8.14 4.76 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.70 0.00 2.79 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 0.00 102 D 7.80 4.53 0.00 2.69 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 0.00 103 I 7.31 3.98 1.95 0.00 0.00 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 1.29 0.59 0.91 0.00 0.00 104 P 0.00 4.44 0.00 2.08 2.15 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 105 V 8.34 4.83 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 0.99 0.00 0.00 0.97 0.00 0.00 106 V 8.81 4.75 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 0.53 0.00 0.00 1.04 0.00 0.00 107 L 8.34 5.06 0.00 1.65 1.32 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 108 G 10.72 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 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 0.00 110 T 7.92 4.47 4.26 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 1.23 0.00 0.00 111 I 7.78 4.24 1.79 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 1.28 0.14 0.80 0.00 0.00 112 P 0.00 4.41 0.00 2.17 1.97 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 113 I 8.48 3.68 1.87 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 1.63 0.60 0.90 0.00 0.00 114 P 0.00 4.38 0.00 2.01 2.11 0.00 3.59 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 2.17 0.00 115 D 8.16 4.63 0.00 2.79 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 0.00 116 L 7.66 3.91 0.00 1.77 1.69 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.06 3.93 0.00 2.04 1.98 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 2.39 2.45 0.00 118 P 0.00 4.25 0.00 2.01 2.13 0.00 3.71 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 2.13 2.19 0.00 119 L 7.89 4.12 0.00 1.90 1.67 0.88 0.94 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 0.00 120 R 8.00 4.08 0.00 1.99 1.95 0.00 3.29 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 121 S 8.30 4.12 0.00 3.94 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 0.00 122 L 7.54 4.24 0.00 1.79 1.70 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.88 3.98 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 0.00 0.00 0.00 124 I 7.40 3.87 1.90 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 1.36 0.53 0.84 0.00 0.00 125 R 8.81 4.23 0.00 1.59 1.93 0.00 3.28 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 1.60 1.71 0.00 126 E 7.72 4.60 0.00 1.22 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 2.22 2.31 0.00 127 I 8.07 4.57 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.46 0.84 0.00 0.00 128 F 9.15 4.94 0.00 2.90 2.84 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 0.00 129 L 8.35 4.92 0.00 1.75 1.61 0.93 1.30 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 0.00 130 P 0.00 4.19 0.00 2.04 2.15 0.00 3.69 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 131 G 7.95 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 0.00 132 T 7.90 4.16 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 1.13 0.00 0.00 133 S 8.36 4.37 0.00 4.00 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 0.00 134 L 8.38 3.94 0.00 1.65 1.69 0.88 0.71 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 0.00 135 G 7.98 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 0.00 136 E 7.95 3.90 0.00 2.04 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 2.30 2.33 0.00 137 I 7.39 2.84 1.66 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 -0.30 -0.25 0.49 0.00 0.00 138 I 7.58 3.60 1.88 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 1.62 0.98 1.06 0.00 0.00 139 E 8.09 3.98 0.00 2.23 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 2.32 2.42 0.00 140 K 8.28 4.06 0.00 2.00 2.01 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.84 7.81 141 V 8.09 3.57 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 0.61 0.00 0.00 0.97 0.00 0.00 142 R 8.46 4.14 0.00 2.29 2.24 0.00 3.23 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 143 K 8.18 3.93 0.00 1.92 1.97 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.64 7.81 144 L 7.96 3.99 0.00 1.93 1.66 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.00 3.83 0.94 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 0.00 146 E 7.62 3.75 0.00 1.92 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 2.34 2.26 0.00 147 E 7.83 4.04 0.00 2.09 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 2.31 2.31 0.00 148 K 8.23 4.11 0.00 1.89 1.91 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.73 7.81 149 R 7.93 4.24 0.00 2.15 2.03 0.00 3.51 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.12 0.00 *151 R 7.98 4.20 0.00 1.99 2.11 0.00 3.19 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 152 E 8.23 3.98 0.00 2.26 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 2.35 2.54 0.00 153 E 8.47 4.13 0.00 2.01 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 2.34 2.28 0.00 154 A 7.18 4.65 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 0.00 155 E 7.82 4.42 0.00 2.15 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 2.24 2.25 0.00 156 A 8.37 4.28 1.19 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.