NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -5 H 4.7385 8.4449 117.8028 55.8688 29.5400 172.6921 -4 H 4.1080 7.8585 118.0349 55.3900 29.7956 173.8575 -3 H 4.5332 9.3757 121.1544 55.5314 30.4400 174.2447 -2 H 4.9030 8.5848 120.5541 53.7844 30.2955 174.1017 -1 H 4.9952 8.6317 120.9444 54.2175 31.2651 172.5719 0 H 5.1566 8.3825 121.3724 54.0868 33.2511 172.0739 -3 Q 4.1432 9.2757 122.7544 56.2314 30.8400 176.1447 -2 A 4.4930 8.4048 126.1541 51.2844 20.3955 177.8017 -1 R 4.6052 8.4417 123.2444 55.2175 33.1651 174.7719 0 W 5.0866 8.2125 124.4724 56.5868 33.8511 174.0739 6 I 3.9023 7.5254 119.3516 60.5193 37.5409 174.9603 7 G 3.0937 6.2670 106.5721 45.2062 0.0000 174.6469 8 N 4.2011 8.8761 117.9483 54.9385 37.9844 174.9407 *11 F 5.3762 7.4750 114.1842 57.6988 40.8331 173.2350 12 H 5.3564 8.9825 121.3168 54.3772 32.5681 172.6434 13 V 4.5098 8.7890 125.1946 61.0270 34.4833 173.9344 14 R 4.9168 8.4132 128.1635 54.7331 31.0383 176.0657 15 T 4.1937 8.9438 117.6176 61.0761 69.7351 175.0869 16 D 4.2950 8.6290 122.2052 57.4288 41.2873 177.4802 17 S 4.2351 7.9222 110.8476 58.9273 63.4386 172.8525 18 N 4.2595 8.2634 117.3529 54.8662 35.4375 173.3132 19 H 5.0763 8.2282 113.4737 54.1548 33.9575 173.6507 20 D 5.2332 8.7116 120.0612 53.6415 42.2967 176.2148 21 V 4.4520 8.7590 121.9699 61.3316 34.8945 174.4885 22 L 5.4676 8.3194 126.8232 52.1312 45.2387 174.2488 *24 D 4.5370 8.3336 118.3130 55.2414 43.1088 173.5242 25 T 4.8824 7.9281 113.5200 59.8848 71.7035 172.5073 26 K 4.3012 8.6269 120.6210 56.6362 32.8340 178.6996 27 E 4.7561 8.8404 121.5970 59.0804 29.7411 179.3719 28 E 4.0428 8.2709 117.2305 58.6700 29.6107 177.9673 29 V 4.2911 7.7845 110.0271 61.3350 32.0749 176.2159 30 G 4.0545 8.2158 107.3683 45.3221 0.0000 174.6900 31 G 4.0722 8.2485 109.6386 44.4201 0.0000 174.4457 32 K 4.3716 8.6530 116.7821 54.9967 33.4941 175.9704 33 D 4.3176 8.1361 117.7167 55.8485 39.8404 173.5029 34 A 4.5960 8.2257 117.3802 51.6459 20.1328 175.9506 35 A 4.4633 7.2536 117.3186 50.8284 21.8800 174.5907 36 P 4.6002 0.0000 0.0000 62.2809 32.2304 177.7650 37 R 4.5184 8.9297 121.2896 54.8705 31.9453 176.2552 38 P 4.2061 0.0000 0.0000 66.0151 31.4266 178.8908 39 L 3.9798 7.8906 118.3154 58.0038 41.9600 178.5575 40 E 3.9925 8.1762 118.3020 59.4067 29.3649 179.1777 41 L 3.9532 7.8398 119.0004 57.4958 41.6379 179.4740 42 V 3.5151 7.8471 118.2665 66.2334 31.2452 178.2030 43 L 3.8625 7.6758 117.0016 57.8601 41.4896 179.3075 44 T 4.0593 7.9294 115.1417 66.5274 68.6271 176.4484 45 G 3.8402 8.3514 107.9097 47.7452 0.0000 176.5812 46 L 4.2453 7.8298 119.0293 54.9735 41.1853 179.3743 *48 G 3.8647 8.0528 110.1441 45.9217 0.0000 175.5843 49 C 3.9845 8.3377 117.1985 62.9345 28.4943 175.3501 50 T 4.4020 7.3543 113.6818 64.2445 67.2523 177.3218 51 G 4.0763 7.6451 108.5063 46.2470 0.0000 174.9492 *53 D 4.6582 8.2945 120.5119 54.1720 42.9816 178.3018 54 V 3.5516 8.1367 118.0593 65.9113 31.3996 177.9566 55 V 3.6069 8.1110 118.1254 66.2928 31.3039 177.8242 56 S 4.1243 8.1543 112.1053 61.4963 62.0106 176.1013 57 I 3.7405 7.7789 121.3785 64.5014 37.2335 178.1860 58 L 4.1275 8.3096 120.2405 57.5551 41.1428 179.5327 59 R 3.9459 8.1272 118.4382 59.1142 30.1016 179.8137 60 K 4.0817 7.8950 116.8997 56.3691 32.4004 176.7701 *62 K 4.2832 7.9839 114.1908 56.3057 33.5284 176.7559 63 V 4.5706 7.7479 109.5111 60.9604 33.0845 177.8374 64 I 3.9077 7.8564 120.8719 63.4849 38.0860 176.5752 65 D 4.5100 8.1905 118.8940 55.8879 39.5220 177.1106 66 Q 4.3115 7.8243 121.2182 54.4219 27.2185 175.8565 *68 K 4.4052 7.9256 119.5124 56.0876 34.6873 175.9943 69 D 4.8748 7.8141 115.7517 53.2428 45.8707 174.7125 70 F 5.4392 8.4181 122.8979 57.2728 42.4460 173.3560 71 R 4.2244 8.9900 121.8672 54.4836 33.3652 173.6721 72 I 4.6575 7.7486 119.8935 59.4292 39.9591 174.8613 73 E 4.6662 8.9251 125.4573 54.4000 32.7998 174.6530 74 I 4.9615 8.3806 123.4042 59.2176 40.7770 174.2352 75 E 4.9247 9.4052 128.3506 54.7506 32.7248 174.4968 76 Y 5.5433 8.1910 121.1156 55.5280 41.8623 174.1083 77 E 4.8344 9.5077 119.0556 54.8129 33.7042 175.0556 78 R 4.9515 8.3349 122.4187 54.7867 33.1500 174.6905 79 T 4.0391 8.6339 118.9906 62.8428 69.1021 174.4650 80 E 4.2780 8.7721 120.0540 57.9244 31.0211 178.3641 81 E 4.3384 7.7594 113.4839 55.2332 30.7427 178.5713 82 H 4.6465 8.3651 118.9030 54.5842 29.5579 173.8375 83 P 4.4142 0.0000 0.0000 62.7110 31.8986 175.9492 84 R 4.3697 8.5298 121.4524 55.6739 30.7924 175.7725 85 I 4.6839 8.4285 117.6658 58.5786 41.2627 174.9884 86 F 4.6093 8.9956 123.5028 58.2708 39.1730 175.7387 87 T 4.8230 8.8976 113.9380 61.7265 70.6120 175.2433 88 K 4.8411 7.9358 119.9274 53.9469 37.0532 175.6550 89 V 4.9508 8.4509 122.7778 61.7337 35.0608 173.0309 90 H 5.4463 9.6235 127.7140 54.3414 33.2036 171.8226 91 L 5.0805 8.9264 125.2944 52.8459 44.7534 175.3137 92 K 4.9062 8.9483 123.5495 54.9775 34.5850 174.8611 93 Y 4.8001 9.1258 123.3486 56.5343 39.9305 174.7937 94 I 4.9107 8.6752 126.4699 59.4578 40.1555 174.9465 95 F 5.5006 9.6064 126.0794 55.4747 43.0602 174.4549 96 K 5.2180 9.0743 123.2821 54.0934 34.2691 174.8774 97 F 5.1585 9.0338 125.9382 55.6853 41.6528 175.2838 98 D 4.3884 9.2232 122.5255 55.3389 41.3187 177.2011 99 G 3.7794 8.7581 116.3691 44.2700 0.0000 171.1073 100 E 3.8508 8.5295 119.6624 55.5973 29.8862 175.9238 101 P 3.7370 0.0000 0.0000 61.6419 32.3232 175.9804 102 P 4.3267 0.0000 0.0000 61.8859 28.2602 177.0512 103 K 3.8690 7.3770 126.0966 59.7154 32.5767 178.2695 104 D 4.3559 7.9070 118.6784 57.3185 40.6848 178.9513 105 K 3.9139 7.7746 118.4250 59.2703 32.0803 179.4288 106 V 3.3638 7.7592 118.6313 65.9725 31.3542 177.8318 107 E 3.9159 8.5114 118.6759 59.3455 29.2443 179.3666 108 K 3.8388 8.0947 119.3025 59.3455 32.2852 178.7186 109 A 3.8432 8.2079 121.4857 55.0821 18.2028 179.8563 110 V 3.1015 7.7790 116.8376 66.0398 31.5700 178.2721 111 Q 3.8958 8.1190 117.9603 58.7781 28.4909 178.5184 112 L 3.6222 7.9481 120.3498 57.8810 41.1337 179.3928 113 S 3.8163 7.5273 112.4761 61.6275 62.2567 176.3979 114 Q 3.8939 8.0789 120.6624 58.2503 28.2929 177.6300 115 E 4.4649 8.5121 117.4394 56.2318 31.0545 176.9074 116 K 4.3646 7.6739 118.0733 58.4333 33.2775 177.0730 117 Y 4.3908 8.2928 115.2386 59.1933 38.2404 175.4468 118 C 4.7200 8.1626 115.7285 59.3693 25.9299 175.3143 119 S 4.2189 8.2878 116.3292 61.0950 63.1675 176.7246 120 V 4.0437 7.7707 118.3941 65.1370 30.6094 177.9894 121 S 4.1383 7.9621 113.7297 61.0961 62.4810 176.0240 122 A 4.0810 8.3270 122.8082 53.7284 18.1653 178.5191 123 I 4.2278 6.8500 116.2471 61.3704 38.6482 175.6085 124 L 4.3988 7.3032 121.2940 52.8656 42.7224 176.0954 125 K 4.2039 8.4641 126.3073 56.5442 32.3373 176.0286 126 C 5.0279 8.3203 122.3178 58.1887 34.8923 173.8928 127 S 4.5478 8.9225 120.2580 58.2853 62.7619 173.5379 128 S 4.9778 7.5543 115.8264 56.0649 66.0186 173.2119 129 K 4.1261 8.5056 122.3904 56.1997 32.4567 176.6484 130 V 4.0870 8.4783 126.4771 63.5876 32.0165 175.0885 131 T 4.9615 9.0360 118.1799 60.5651 71.8891 172.4806 132 Y 5.8551 8.1399 119.1973 56.9424 41.2856 172.9689 133 E 4.8833 8.8896 116.2710 55.3947 33.4693 173.6353 134 I 5.1275 8.3946 120.6251 59.5944 40.0335 175.2305 135 V 4.3999 8.9301 126.8627 61.1761 34.2727 173.5226 136 Y 5.4878 8.5445 124.4563 56.4949 39.9736 174.4323 137 E 4.8063 9.6814 123.5556 54.6363 33.1611 176.2442 138 N 4.6003 8.6913 118.2748 53.6186 38.8807 175.2434 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 H 8.44 4.74 0.00 3.11 3.28 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -4 H 7.86 4.11 0.00 3.25 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 9.38 4.53 0.00 3.14 3.06 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.58 4.90 0.00 3.09 3.23 0.00 5.72 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.63 5.00 0.00 3.16 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.38 5.16 0.00 3.09 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 Q 9.28 4.14 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 -2 A 8.40 4.49 1.35 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 -1 R 8.44 4.61 0.00 1.73 1.77 0.00 2.21 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 0 W 8.21 5.09 0.00 3.09 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 6 I 7.53 3.90 1.64 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.84 0.00 0.00 7 G 6.27 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 0.00 0.00 0.00 8 N 8.88 4.20 0.00 2.85 3.15 0.00 0.00 6.93 7.45 0.00 0.00 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 F 7.47 5.38 0.00 3.09 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 12 H 8.98 5.36 0.00 3.11 3.16 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.79 4.51 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.01 0.00 0.00 14 R 8.41 4.92 0.00 1.84 1.82 0.00 3.38 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 15 T 8.94 4.19 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 1.27 0.00 0.00 16 D 8.63 4.29 0.00 2.66 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 17 S 7.92 4.24 0.00 4.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.26 4.26 0.00 2.84 2.91 0.00 0.00 6.70 8.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.23 5.08 0.00 3.04 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.71 5.23 0.00 2.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.76 4.45 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 1.04 0.00 0.00 0.94 0.00 0.00 22 L 8.32 5.47 0.00 1.57 1.63 1.04 1.22 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 *24 D 8.33 4.54 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.93 4.88 4.30 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 1.27 0.00 0.00 26 K 8.63 4.30 0.00 1.77 1.93 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.50 7.81 27 E 8.84 4.76 0.00 2.04 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 2.62 2.31 0.00 28 E 8.27 4.04 0.00 1.95 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 2.32 2.41 0.00 29 V 7.78 4.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.99 0.00 0.00 30 G 8.22 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.25 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 0.00 0.00 0.00 32 K 8.65 4.37 0.00 1.90 1.79 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.46 7.81 33 D 8.14 4.32 0.00 2.71 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 34 A 8.23 4.60 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 35 A 7.25 4.46 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 36 P 0.00 4.60 0.00 2.06 2.00 0.00 3.91 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 37 R 8.93 4.52 0.00 1.81 1.86 0.00 3.35 0.00 0.00 3.46 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 38 P 0.00 4.21 0.00 2.12 2.05 0.00 3.61 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 39 L 7.89 3.98 0.00 1.76 1.67 0.99 0.93 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 40 E 8.18 3.99 0.00 2.26 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 2.43 2.43 0.00 41 L 7.84 3.95 0.00 1.85 1.69 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.85 3.52 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 0.93 0.00 0.00 0.96 0.00 0.00 43 L 7.68 3.86 0.00 1.60 1.62 0.51 0.35 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 44 T 7.93 4.06 4.39 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 1.17 0.00 0.00 45 G 8.35 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 46 L 7.83 4.25 0.00 1.76 1.59 0.71 0.70 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 *48 G 8.05 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 0.00 0.00 0.00 49 C 8.34 3.98 0.00 3.12 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.35 4.40 4.32 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 1.28 0.00 0.00 51 G 7.65 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 D 8.29 4.66 0.00 3.11 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 54 V 8.14 3.55 2.43 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 0.84 0.00 0.00 1.06 0.00 0.00 55 V 8.11 3.61 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 1.11 0.00 0.00 1.25 0.00 0.00 56 S 8.15 4.12 0.00 3.99 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.78 3.74 2.03 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.85 0.88 0.00 0.00 58 L 8.31 4.13 0.00 1.68 1.76 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.13 3.95 0.00 1.92 2.14 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 60 K 7.90 4.08 0.00 1.90 1.99 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.50 7.81 *62 K 7.98 4.28 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.65 7.81 63 V 7.75 4.57 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.94 0.00 0.00 64 I 7.86 3.91 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.94 0.00 0.00 65 D 8.19 4.51 0.00 3.11 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 66 Q 7.82 4.31 0.00 2.65 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.41 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 *68 K 7.93 4.41 0.00 1.87 1.92 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 69 D 7.81 4.87 0.00 2.61 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 70 F 8.42 5.44 0.00 2.87 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 71 R 8.99 4.22 0.00 1.60 1.74 0.00 2.66 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.41 0.00 72 I 7.75 4.66 1.54 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.10 0.53 0.00 0.00 73 E 8.93 4.67 0.00 1.79 1.75 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 2.12 2.10 0.00 74 I 8.38 4.96 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.07 0.97 0.00 0.00 75 E 9.41 4.92 0.00 1.97 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 0.00 2.20 2.24 0.00 76 Y 8.19 5.54 0.00 3.37 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.51 4.83 0.00 1.90 1.84 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 2.21 2.35 0.00 78 R 8.33 4.95 0.00 1.26 1.61 0.00 2.21 0.00 0.00 2.89 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.07 0.00 79 T 8.63 4.04 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 1.19 0.00 0.00 80 E 8.77 4.28 0.00 2.00 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 2.16 1.85 0.00 81 E 7.76 4.34 0.00 1.98 1.76 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 2.22 1.89 0.00 82 H 8.37 4.65 0.00 3.14 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.41 0.00 2.19 2.06 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 84 R 8.53 4.37 0.00 1.68 1.82 0.00 3.19 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 85 I 8.43 4.68 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 0.96 0.93 0.00 0.00 86 F 9.00 4.61 0.00 3.30 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 87 T 8.90 4.82 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 1.23 0.00 0.00 88 K 7.94 4.84 0.00 1.75 1.75 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.31 7.81 89 V 8.45 4.95 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 1.04 0.00 0.00 0.95 0.00 0.00 90 H 9.62 5.45 0.00 3.30 3.15 0.00 5.77 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.93 5.08 0.00 1.59 1.13 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.95 4.91 0.00 1.59 1.71 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.62 1.43 7.81 93 Y 9.13 4.80 0.00 3.21 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 94 I 8.68 4.91 1.78 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 1.22 0.81 0.93 0.00 0.00 95 F 9.61 5.50 0.00 3.29 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 96 K 9.07 5.22 0.00 1.87 1.69 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.45 7.81 97 F 9.03 5.16 0.00 2.96 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 98 D 9.22 4.39 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 99 G 8.76 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.53 3.85 0.00 1.85 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 0.00 2.17 2.21 0.00 101 P 0.00 3.74 0.00 1.13 1.31 0.00 3.40 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.95 0.00 102 P 0.00 4.33 0.00 2.01 1.95 0.00 2.20 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 103 K 7.38 3.87 0.00 1.65 1.83 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.13 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.68 1.07 7.81 104 D 7.91 4.36 0.00 2.60 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 0.00 105 K 7.77 3.91 0.00 1.80 1.77 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.40 7.81 106 V 7.76 3.36 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.62 0.00 0.00 107 E 8.51 3.92 0.00 2.16 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 2.37 2.47 0.00 108 K 8.09 3.84 0.00 1.91 1.90 0.00 1.45 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 109 A 8.21 3.84 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 0.00 110 V 7.78 3.10 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 0.29 0.00 0.00 0.63 0.00 0.00 111 Q 8.12 3.90 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.52 0.00 0.00 0.00 0.00 0.00 2.55 2.57 0.00 112 L 7.95 3.62 0.00 1.52 0.92 0.83 0.54 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 0.00 113 S 7.53 3.82 0.00 3.76 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 0.00 114 Q 8.08 3.89 0.00 1.68 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.36 0.00 0.00 0.00 0.00 0.00 1.82 1.16 0.00 115 E 8.51 4.46 0.00 1.94 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 2.37 2.50 0.00 116 K 7.67 4.36 0.00 1.68 1.91 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.52 7.81 117 Y 8.29 4.39 0.00 3.05 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 0.00 118 C 8.16 4.72 0.00 3.14 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 0.00 119 S 8.29 4.22 0.00 3.94 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 0.00 120 V 7.77 4.04 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 1.11 0.00 0.00 0.95 0.00 0.00 121 S 7.96 4.14 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 0.00 122 A 8.33 4.08 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 0.00 123 I 6.85 4.23 1.95 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 1.38 0.65 0.85 0.00 0.00 124 L 7.30 4.40 0.00 1.39 1.43 0.37 0.01 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 0.00 125 K 8.46 4.20 0.00 1.83 1.77 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.43 7.81 126 C 8.32 5.03 0.00 2.92 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 0.00 127 S 8.92 4.55 0.00 4.09 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 S 7.55 4.98 0.00 4.18 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 0.00 129 K 8.51 4.13 0.00 1.77 1.80 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 130 V 8.48 4.09 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 1.04 0.00 0.00 0.95 0.00 0.00 131 T 9.04 4.96 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 1.33 0.00 0.00 132 Y 8.14 5.86 0.00 3.34 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 0.00 133 E 8.89 4.88 0.00 2.09 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 0.00 2.39 2.45 0.00 134 I 8.39 5.13 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.71 0.00 0.00 135 V 8.93 4.40 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 1.02 0.00 0.00 0.97 0.00 0.00 136 Y 8.54 5.49 0.00 3.07 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 0.00 137 E 9.68 4.81 0.00 1.94 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 2.29 2.33 0.00 138 N 8.69 4.60 0.00 2.74 2.77 0.00 0.00 6.81 7.56 0.00 0.00 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.