NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.0612 8.4181 114.6848 58.3806 64.0659 175.1838 2 V 3.7515 7.7805 119.8961 62.1894 31.3346 172.2152 3 V 3.5921 8.3543 120.7998 66.1268 32.0346 178.7246 4 E 4.0096 7.8759 117.8553 59.2677 29.3165 178.9608 5 L 4.1110 7.9361 120.1001 57.9421 42.1369 179.1547 6 G 3.6508 8.0404 105.4505 47.8152 0.0000 175.5547 7 K 3.9771 8.2239 121.7009 59.5103 32.0998 179.0367 8 M 4.0093 8.2737 118.7610 58.6770 31.7698 179.0707 9 I 3.7095 7.7758 119.7509 64.3024 37.2706 178.5562 10 I 4.4081 7.5330 114.9005 63.7414 37.1865 177.9601 11 Q 4.0127 7.8729 118.9385 58.9581 28.6948 178.7867 12 E 4.1919 8.3645 118.2582 58.5476 29.7207 178.3127 13 T 4.4341 8.4358 108.3948 61.0071 70.5968 175.8565 14 G 3.8100 8.6444 110.2776 45.3555 0.0000 172.9677 *16 K 4.5514 7.5323 117.8657 55.9969 33.3265 174.9446 17 S 4.5655 8.3712 117.3603 57.4340 63.3009 172.5354 18 P 4.4627 0.0000 0.0000 65.3611 31.2825 175.4789 19 F 4.9798 8.2459 118.5152 56.0431 40.5508 173.0875 20 P 4.3384 0.0000 0.0000 61.6681 31.3479 176.4864 21 S 4.3941 7.5487 116.0227 60.8257 62.4350 174.5691 22 Y 5.1716 8.5578 115.6604 57.5068 39.7783 177.0816 23 T 4.2309 8.1438 110.0655 63.9008 69.2132 176.0946 24 S 4.4424 7.7137 116.0027 58.5163 63.5556 172.6406 25 Y 4.7245 7.6167 122.2519 58.4412 39.6995 175.5290 26 G 3.5867 7.9516 116.2907 46.9648 0.0000 174.0833 27 C 4.2744 9.8955 118.1629 60.3053 29.2074 174.4988 28 F 5.0547 8.7512 116.3117 56.6379 40.7346 175.2377 29 C 4.4019 7.8388 119.1975 61.0281 28.0316 173.6776 30 G 3.8817 8.4757 113.0236 47.2022 0.0000 174.0562 31 G 3.9969 7.5493 104.7763 45.0091 0.0000 172.2196 32 G 3.8558 7.8841 104.2316 43.6658 0.0000 173.6179 33 E 4.8674 8.8553 121.6282 55.8203 32.1596 175.3997 34 R 5.0650 8.0258 118.7266 53.4974 32.6629 175.1496 35 G 4.2636 8.6453 110.6949 45.5054 0.0000 172.2172 36 P 5.0296 0.0000 0.0000 61.3848 32.0757 174.4841 37 P 4.7850 0.0000 0.0000 62.7483 31.7555 177.2233 38 L 3.8944 8.8115 122.0788 57.4680 41.9794 176.2741 39 D 4.4068 7.6975 115.0109 51.8007 42.1569 175.4233 40 A 3.9780 8.6145 120.0809 56.3207 17.9050 179.5934 41 T 3.7386 8.0864 113.1539 67.1111 68.5353 175.9039 42 D 4.4796 8.5436 119.4544 57.6402 41.2502 178.5898 43 R 3.9140 8.3465 118.6553 59.0274 29.9048 178.8807 44 C 4.0739 7.9768 117.0004 62.8862 28.0533 175.8512 45 C 4.0548 7.7841 118.3126 62.6559 27.7491 175.8156 46 L 3.6771 8.0615 123.0257 57.1934 41.3834 178.7691 47 A 3.8496 7.7086 120.6224 55.4524 18.3698 178.8778 48 H 3.8775 8.1849 116.9112 59.5616 29.9602 177.5707 49 S 3.9318 8.0858 115.9080 61.5504 62.9310 176.2233 50 C 4.3937 8.1439 120.3896 62.5172 27.8179 175.5110 51 C 4.0789 8.1788 120.6569 62.8853 31.1970 175.3617 52 Y 4.3906 7.9490 118.0735 61.1551 37.1613 178.1902 53 D 4.5989 7.9097 118.6636 56.4288 40.9630 177.5734 54 T 4.4298 7.5952 109.0523 61.4252 69.4949 174.7472 55 L 4.8325 7.5856 121.5336 53.9153 42.3574 175.9935 56 P 4.2221 0.0000 0.0000 65.3240 31.8419 176.6622 *59 D 4.4486 8.0094 117.9469 54.2298 43.0827 174.1017 *61 C 4.8993 7.3648 113.8892 59.9344 29.5867 172.2770 *67 S 4.7274 7.9744 110.4544 58.1292 63.2302 172.2513 68 P 3.8639 0.0000 0.0000 65.4542 31.2626 178.6506 69 K 4.4166 7.7947 113.6576 57.8766 32.2008 177.6508 70 T 4.3775 7.3560 105.9860 62.1509 70.7104 173.5497 71 D 4.3198 8.0913 121.4719 54.0808 40.9960 176.1211 72 R 4.2489 8.3898 125.9990 56.7227 30.8310 175.1313 73 Y 4.8819 7.4520 116.2978 56.6656 40.5059 172.7527 74 K 5.0158 9.5162 118.6180 54.9794 36.3163 175.3983 75 Y 5.4018 8.1635 119.1931 55.5781 41.7476 174.0707 76 K 4.6299 9.4203 119.9039 54.9258 34.5700 177.7962 77 R 3.9497 8.9807 124.3851 59.2652 31.1829 177.4491 78 E 3.5466 7.9281 117.5689 57.4684 28.7029 175.9531 79 N 4.5413 8.5415 108.9764 52.3279 37.5705 176.2748 80 G 3.9821 8.0002 105.0680 45.5673 0.0000 171.3115 81 E 4.5035 7.5239 119.3336 53.7417 30.7888 175.4678 82 I 3.9324 8.4189 127.1356 62.2979 37.9663 175.5396 83 I 4.5161 9.2967 127.3181 59.5872 39.7250 175.2830 84 C 4.8386 8.7886 125.0239 59.4813 29.1500 173.2216 85 E 4.4682 8.0606 119.3106 55.3113 31.2214 175.6208 86 N 5.0975 8.2874 114.0303 53.0231 40.3173 176.4902 87 S 4.2729 8.5007 115.3783 60.9192 63.3051 174.2243 88 T 4.7077 7.4173 109.4025 58.8506 71.9902 174.5244 89 S 3.8712 8.4996 116.1699 61.6305 62.8423 175.8357 *91 C 4.5991 7.9300 116.5451 59.7167 30.1509 176.4595 92 K 3.9966 8.0448 119.1194 58.9665 31.4582 179.4318 93 K 3.7758 7.7140 119.6988 59.4891 32.2038 178.9774 94 R 3.8688 8.2786 118.6268 59.3823 30.0597 179.1213 95 I 3.6556 7.9272 119.6488 64.6294 37.1150 177.9098 96 C 3.7150 7.3719 120.6298 61.8146 31.1221 175.5818 97 E 3.9872 8.2514 120.0712 59.4568 28.8576 179.1404 98 C 4.2034 8.0047 116.5812 62.7170 28.1775 175.8705 99 D 4.3565 8.3073 120.4868 57.2523 40.4426 178.3498 100 K 3.6541 8.3339 120.2970 59.7342 32.1297 178.2619 101 A 3.9452 7.9089 120.9059 55.3184 18.1626 180.0347 102 V 3.4806 7.6268 117.1576 64.6162 31.4370 178.6158 103 A 3.7940 7.8519 121.4578 55.0400 18.3163 179.8937 104 V 3.5555 7.9759 116.9537 65.8574 31.2666 177.9361 105 C 4.0434 7.7619 118.0559 62.2867 31.8772 175.0275 106 L 4.0005 7.9655 120.9303 57.7583 41.1351 179.3645 107 R 3.8600 7.8331 118.3955 59.5571 29.8707 178.4464 108 K 3.9586 7.9086 117.5980 58.5672 32.2586 176.8009 109 N 5.2484 7.4983 114.3087 52.1514 39.2783 176.5497 110 L 4.2175 8.0820 122.0189 57.5257 41.6254 178.6279 111 N 4.7163 8.2376 114.8973 54.3529 37.3368 175.7818 112 T 4.6713 7.9346 106.8894 61.0555 70.6065 173.2134 113 Y 4.0120 8.0499 124.5650 58.3369 39.1715 174.3489 114 N 4.6069 8.8521 126.4293 51.5483 39.6858 175.6616 115 K 4.0836 8.8030 125.8303 58.8796 32.3105 177.7769 116 K 4.4931 7.9183 115.9263 56.3091 32.3484 176.1430 117 Y 4.6999 7.5434 117.2024 58.1575 39.2048 177.8284 118 T 3.8512 7.8061 117.3439 66.5574 68.5475 172.9382 119 Y 4.5939 7.9042 121.3173 56.3395 39.5585 174.3539 120 Y 4.2981 8.0414 125.5594 54.5054 41.1769 173.5722 121 P 3.8983 0.0000 0.0000 62.7540 31.8051 177.1700 122 N 4.1018 8.8778 123.3554 56.4114 39.1514 176.1115 *124 F 4.8652 7.8414 110.0144 56.0582 39.5022 175.2257 125 W 4.1820 7.4412 120.4479 57.8035 29.2554 176.4477 126 C 4.4796 8.0371 117.1004 58.5625 26.3729 173.2685 127 K 4.2984 8.3442 123.5529 56.3530 32.7660 177.4161 128 G 4.1202 7.7972 106.4806 45.9665 0.0000 172.8731 129 D 4.7902 8.5694 120.0263 53.7611 42.1130 176.3242 130 I 4.0272 8.1954 120.8072 61.2329 37.4143 176.3137 131 E 4.0213 9.6530 130.2871 56.3362 30.0488 176.0426 132 K 4.6052 8.3846 124.9210 54.8941 34.3062 176.1261 133 C 4.2522 8.5363 119.0373 60.0949 28.1895 173.6150 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 8.42 5.06 0.00 4.12 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 V 7.78 3.75 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 0.71 0.00 0.00 0.99 0.00 0.00 3 V 8.35 3.59 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 1.10 0.00 0.00 0.91 0.00 0.00 4 E 7.88 4.01 0.00 1.76 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 1.47 2.11 0.00 5 L 7.94 4.11 0.00 1.91 1.74 0.91 1.20 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 6 G 8.04 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.22 3.98 0.00 2.15 2.05 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.71 7.81 8 M 8.27 4.01 0.00 1.93 2.26 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 1.93 0.00 9 I 7.78 3.71 2.08 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 0.89 1.08 0.00 0.00 10 I 7.53 4.41 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.31 0.96 0.00 0.00 11 Q 7.87 4.01 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.04 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 12 E 8.36 4.19 0.00 1.98 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 2.45 2.40 0.00 13 T 8.44 4.43 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 1.29 0.00 0.00 14 G 8.64 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 *16 K 7.53 4.55 0.00 1.74 1.52 0.00 1.25 0.00 0.00 0.73 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.17 7.81 17 S 8.37 4.57 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.46 0.00 2.36 2.26 0.00 3.73 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 2.29 2.23 0.00 19 F 8.25 4.98 0.00 3.08 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 20 P 0.00 4.34 0.00 1.92 1.01 0.00 3.33 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 21 S 7.55 4.39 0.00 3.76 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 5.17 0.00 3.16 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 23 T 8.14 4.23 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 24 S 7.71 4.44 0.00 3.50 3.65 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 0.00 0.00 0.00 0.00 25 Y 7.62 4.72 0.00 3.27 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 26 G 7.95 3.59 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 0.00 0.00 0.00 27 C 9.90 4.27 0.00 2.32 2.39 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 28 F 8.75 5.05 0.00 3.14 3.02 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 0.00 29 C 7.84 4.40 0.00 3.31 3.30 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 30 G 8.48 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 31 G 7.55 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 0.00 0.00 0.00 32 G 7.88 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 33 E 8.86 4.87 0.00 1.96 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 2.36 2.36 0.00 34 R 8.03 5.06 0.00 1.66 1.94 0.00 3.17 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 35 G 8.65 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 0.00 0.00 0.00 0.00 36 P 0.00 5.03 0.00 2.24 2.13 0.00 3.79 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 2.00 2.00 0.00 37 P 0.00 4.78 0.00 2.13 2.18 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.29 0.00 38 L 8.81 3.89 0.00 1.17 0.87 -1.25 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.70 4.41 0.00 2.95 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 40 A 8.61 3.98 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 41 T 8.09 3.74 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 0.57 0.00 0.00 42 D 8.54 4.48 0.00 3.06 2.86 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 43 R 8.35 3.91 0.00 2.03 1.90 0.00 3.16 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 44 C 7.98 4.07 0.00 2.99 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 45 C 7.78 4.05 0.00 3.14 3.02 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 0.00 46 L 8.06 3.68 0.00 0.46 1.19 0.27 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.71 3.85 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 48 H 8.18 3.88 0.00 3.08 3.35 0.00 5.79 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 49 S 8.09 3.93 0.00 4.09 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 50 C 8.14 4.39 0.00 3.11 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 51 C 8.18 4.08 0.00 3.11 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 52 Y 7.95 4.39 0.00 3.14 2.93 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 53 D 7.91 4.60 0.00 2.91 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 54 T 7.60 4.43 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 1.31 0.00 0.00 55 L 7.59 4.83 0.00 1.68 1.61 0.88 1.00 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 56 P 0.00 4.22 0.00 2.17 2.19 0.00 3.88 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 *59 D 8.01 4.45 0.00 2.71 2.72 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 0.00 0.00 0.00 0.00 *61 C 7.36 4.90 0.00 3.01 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *67 S 7.97 4.73 0.00 3.88 3.83 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 68 P 0.00 3.86 0.00 1.10 0.49 0.00 3.39 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 69 K 7.79 4.42 0.00 1.76 1.92 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.23 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.47 7.81 70 T 7.36 4.38 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 1.21 0.00 0.00 71 D 8.09 4.32 0.00 2.68 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 72 R 8.39 4.25 0.00 1.84 1.81 0.00 3.62 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 73 Y 7.45 4.88 0.00 3.30 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 74 K 9.52 5.02 0.00 1.73 1.68 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.39 7.81 75 Y 8.16 5.40 0.00 3.09 3.02 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 0.00 76 K 9.42 4.63 0.00 1.70 1.76 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.56 7.81 77 R 8.98 3.95 0.00 1.86 2.06 0.00 3.89 0.00 0.00 3.48 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 78 E 7.93 3.55 0.00 2.13 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 2.19 2.30 0.00 79 N 8.54 4.54 0.00 2.81 2.71 0.00 0.00 6.87 8.31 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 80 G 8.00 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 81 E 7.52 4.50 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 82 I 8.42 3.93 1.78 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 1.24 0.59 0.66 0.00 0.00 83 I 9.30 4.52 2.06 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 1.25 1.37 0.94 0.00 0.00 84 C 8.79 4.84 0.00 2.89 2.77 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 85 E 8.06 4.47 0.00 2.14 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 2.60 2.29 0.00 86 N 8.29 5.10 0.00 2.65 2.78 0.00 0.00 6.90 7.57 0.00 0.00 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 S 8.50 4.27 0.00 4.03 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.42 4.71 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 89 S 8.50 3.87 0.00 3.86 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 7.93 4.60 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 92 K 8.04 4.00 0.00 1.96 1.87 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.24 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.76 1.49 7.81 93 K 7.71 3.78 0.00 1.91 1.92 0.00 1.47 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.47 7.81 94 R 8.28 3.87 0.00 1.89 1.94 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 95 I 7.93 3.66 1.84 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 1.26 0.94 1.04 0.00 0.00 96 C 7.37 3.72 0.00 1.81 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 97 E 8.25 3.99 0.00 2.13 1.95 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 2.47 2.45 0.00 98 C 8.00 4.20 0.00 3.36 3.06 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 99 D 8.31 4.36 0.00 3.03 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.33 3.65 0.00 1.68 1.97 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.40 7.81 101 A 7.91 3.95 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 0.00 102 V 7.63 3.48 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 0.72 0.00 0.00 0.69 0.00 0.00 103 A 7.85 3.79 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 0.00 104 V 7.98 3.56 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 0.95 0.00 0.00 0.93 0.00 0.00 105 C 7.76 4.04 0.00 3.15 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 0.00 106 L 7.97 4.00 0.00 1.64 1.42 0.02 0.38 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 0.00 107 R 7.83 3.86 0.00 1.98 2.07 0.00 3.10 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 108 K 7.91 3.96 0.00 1.81 2.04 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 109 N 7.50 5.25 0.00 2.89 2.79 0.00 0.00 7.15 6.09 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 0.00 110 L 8.08 4.22 0.00 1.81 1.74 0.94 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.24 4.72 0.00 2.89 3.09 0.00 0.00 5.77 7.22 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 0.00 112 T 7.93 4.67 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 1.25 0.00 0.00 113 Y 8.05 4.01 0.00 3.19 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 0.00 114 N 8.85 4.61 0.00 2.54 2.10 0.00 0.00 6.76 6.58 0.00 0.00 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 8.80 4.08 0.00 1.80 1.91 0.00 2.02 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.68 7.81 116 K 7.92 4.49 0.00 1.65 1.83 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.39 7.81 117 Y 7.54 4.70 0.00 2.17 1.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 3.85 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 119 Y 7.90 4.59 0.00 2.71 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 0.00 120 Y 8.04 4.30 0.00 2.83 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 0.00 121 P 0.00 3.90 0.00 0.49 1.72 0.00 2.20 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.44 0.00 122 N 8.88 4.10 0.00 2.76 2.84 0.00 0.00 6.92 7.71 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 *124 F 7.84 4.87 0.00 3.32 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 0.00 125 W 7.44 4.18 0.00 2.84 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.04 4.48 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 0.00 127 K 8.34 4.30 0.00 1.73 1.86 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.34 7.81 128 G 7.80 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 0.00 0.00 0.00 0.00 129 D 8.57 4.79 0.00 2.61 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 0.00 130 I 8.20 4.03 1.90 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 1.26 0.77 0.95 0.00 0.00 131 E 9.65 4.02 0.00 2.26 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 2.14 2.29 0.00 132 K 8.38 4.61 0.00 1.75 1.69 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.50 7.81 133 C 8.54 4.25 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.