NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5180 8.1633 120.2804 55.1377 34.0295 173.8264 2 K 4.6705 8.4590 124.5135 55.0941 33.8021 171.2803 3 V 4.9568 9.7652 118.7896 59.9281 37.4571 173.7761 4 I 4.8460 8.5684 123.8166 59.6082 39.0711 175.8654 5 L 4.3651 8.3861 127.4244 55.0710 42.5446 175.7834 6 L 4.5912 8.4937 117.0080 56.4444 43.5471 177.0768 7 E 4.2275 7.9464 119.5993 55.0502 30.5335 175.0855 8 P 5.1292 0.0000 0.0000 62.2455 32.0489 175.5323 9 L 4.8138 7.9580 120.0937 52.4276 44.8340 174.8129 10 E 4.2066 8.4869 120.2325 56.7713 30.0436 176.6146 11 N 4.5531 10.2673 123.5997 53.7206 37.9827 174.3824 12 L 4.4528 7.2776 113.8628 55.8801 41.9560 174.1485 13 G 3.7730 8.1093 112.7037 46.7309 0.0000 170.1412 14 D 4.4506 8.1794 121.0938 53.9011 40.9252 177.4648 15 V 3.6982 8.5633 117.6905 61.7634 31.9267 176.1743 16 G 3.9099 8.4180 105.5858 46.4850 0.0000 172.6785 17 Q 4.3104 7.8686 121.5005 54.7162 30.3084 174.9163 18 V 4.4061 8.4264 127.7185 62.6391 32.1018 175.3801 19 V 4.6824 9.1230 127.9490 59.7722 35.1566 174.2067 20 D 5.2091 8.7068 122.4240 52.8802 40.3908 175.7543 21 V 4.6179 8.8899 117.3358 58.5479 35.6787 175.2635 22 K 4.1409 8.7025 122.4249 55.8967 32.8514 175.1548 23 P 4.3554 0.0000 0.0000 65.8734 31.1357 178.5093 24 G 3.7270 8.1925 103.5602 48.1223 0.0000 174.4122 25 Y 4.7550 8.2311 121.9360 60.5739 38.6339 177.7815 26 A 3.8291 8.2524 121.3013 55.3419 18.2680 179.5524 27 R 3.9019 8.2643 115.5382 59.1886 30.4276 178.3535 28 N 4.9445 8.9290 113.1269 53.9490 39.2957 174.5361 29 Y 4.6948 8.4191 120.2723 58.0664 41.9163 176.8253 30 L 3.6736 8.1056 118.2849 58.0199 42.6630 179.7845 31 L 4.0236 8.2696 119.9842 57.6674 42.2356 177.4398 32 P 4.2356 0.0000 0.0000 65.3393 31.3358 177.2406 33 R 4.1532 8.2814 115.1445 55.1914 30.1612 176.2998 34 G 3.8984 7.4740 105.9873 46.9312 0.0000 174.3566 35 L 4.5330 8.1286 117.4651 54.2006 43.3039 176.6080 36 A 4.6498 7.1779 118.8927 51.5737 22.0791 175.1701 37 V 4.4852 8.2875 118.0033 60.8146 35.8763 174.4816 38 L 4.3053 8.4731 124.0427 54.0690 41.7112 178.5618 39 A 4.5028 8.6153 129.6662 52.3123 15.0561 176.4351 40 T 4.4528 7.5799 112.2514 59.4894 71.5613 176.8018 41 E 3.9963 8.7923 125.1115 59.9878 29.6207 179.2174 42 S 4.0678 8.3032 112.0951 62.3089 62.2100 176.0339 43 N 4.3151 8.1033 117.8747 56.0087 38.4417 177.0534 44 L 3.9184 8.7803 123.3270 58.2366 42.0632 179.3647 45 K 3.9466 8.6386 118.5492 60.0433 32.2302 178.8647 46 A 3.9661 7.9504 122.0189 54.4591 18.1023 179.4814 47 L 3.8643 8.3070 119.5127 58.4168 42.2186 178.3980 48 E 3.8431 8.0691 119.0698 60.1226 29.4885 178.0252 49 A 3.9260 8.2215 119.7441 55.8775 18.1256 179.3099 50 R 4.0168 7.8693 116.7807 58.9447 30.6687 178.5838 51 I 4.0097 7.7404 121.2590 63.3870 37.1422 178.0611 52 R 3.8625 8.8650 116.6621 59.7982 29.5145 179.1232 53 A 3.8750 7.6827 122.3520 54.0983 18.5888 178.8055 54 Q 4.1701 8.0122 116.0362 57.3448 29.5527 177.0423 55 A 4.1846 8.2523 121.3656 53.7193 18.6338 178.3938 56 K 4.3815 7.8880 116.6653 58.1317 34.1166 178.4632 57 R 3.9000 7.6960 119.2838 58.3873 30.1423 176.7875 58 L 4.2406 7.7184 117.8077 56.1027 42.5261 177.0857 59 A 4.4957 7.7350 119.0760 52.2772 18.7600 178.2023 60 E 4.1247 7.7459 120.7971 59.9031 29.7537 178.4148 61 R 4.1649 7.8293 114.6436 57.3321 28.9751 177.6089 62 K 4.3834 7.8294 120.0374 57.5204 33.1256 177.4524 63 A 4.2674 8.2622 120.9349 53.8653 18.3881 178.5840 64 E 4.3513 8.0455 114.8535 57.5656 30.4658 177.4812 65 A 4.2213 7.5604 120.4015 53.5768 18.4599 178.4816 66 E 4.3219 7.6322 113.5629 57.2353 30.3804 177.0675 67 R 4.6478 7.2436 115.2839 56.0991 31.1387 176.2516 68 L 4.5653 7.6025 119.4243 56.5034 44.0261 178.2490 69 K 3.9009 7.9066 119.5086 59.8191 32.0742 177.8750 70 E 4.3277 8.2228 115.0621 57.4913 29.8173 176.6336 71 I 4.3647 8.2620 112.3612 62.4322 39.4008 177.8232 72 L 4.2850 7.7840 119.9729 56.1094 41.8262 178.6894 73 E 4.2970 7.8030 119.2403 57.9173 29.7850 177.0976 74 N 4.6353 7.9211 114.3642 54.2254 39.7490 175.1726 75 L 4.3520 8.4622 121.0842 54.3023 42.9643 175.4069 76 T 4.9623 8.1358 114.7974 59.8625 71.4046 173.9762 77 L 3.8534 8.5277 125.1711 58.1374 41.8738 174.9638 78 T 3.9091 7.8459 124.5298 64.3792 64.9989 170.5558 79 I 4.3465 7.7670 126.6785 58.5720 39.2185 175.1430 80 P 4.7201 0.0000 0.0000 62.1869 30.4702 177.3394 81 V 3.5864 7.4084 120.1062 63.3140 32.7195 175.2361 82 R 4.2397 8.7561 128.5004 56.4085 30.6720 174.7451 83 A 5.2229 8.2276 129.3575 51.4881 21.9950 175.4348 84 G 4.0612 8.1197 104.9598 44.9443 0.0000 173.9944 85 E 3.6844 9.2300 129.9095 57.0649 27.1692 175.6967 86 T 4.8657 7.9847 121.9461 64.8873 70.4826 174.3819 87 K 4.1262 7.8180 120.4484 56.8612 33.1637 177.5565 88 I 4.3510 8.1387 127.1629 61.2253 38.4828 174.7704 89 Y 4.2628 8.3223 117.8148 59.0926 38.7740 176.5776 90 G 4.0173 7.8039 107.6818 43.1745 0.0000 171.0808 91 S 4.0925 8.2664 120.0193 56.6021 63.8931 175.0907 92 V 4.1567 8.3410 123.4898 61.0531 32.0735 175.6703 93 T 4.2509 9.4895 117.2950 60.5107 70.5975 175.7325 94 A 3.9507 8.7872 123.7972 55.7218 18.1208 179.9910 95 K 3.7862 8.1751 116.0036 59.6294 32.0019 178.7978 96 D 4.3048 7.3932 116.8162 56.7439 41.0170 178.3737 97 I 3.9530 8.0650 117.8567 62.4370 37.0484 176.4568 98 A 4.4813 7.9508 120.8271 53.7864 20.4445 177.6806 99 E 4.2086 8.8303 118.3823 59.5713 29.5300 178.5533 100 A 4.0841 8.4061 119.8061 53.5839 18.6871 177.7543 101 L 4.2754 7.2977 117.7106 56.8305 43.5686 177.9945 102 S 4.8985 8.8217 115.3204 60.6749 62.0265 175.2814 103 R 4.4169 7.9158 118.6156 56.1015 29.8874 176.7598 104 Q 4.5183 7.9490 119.8526 56.5941 31.3920 175.5275 105 H 4.6872 8.8208 112.4683 58.0293 31.0815 174.1956 106 G 4.3731 8.2730 104.1639 44.3029 0.0000 173.4010 107 V 4.0854 7.7779 120.2661 61.7518 32.6753 174.8606 108 T 4.6980 8.3100 123.5572 62.5217 69.4762 174.3845 109 I 4.5901 7.9404 118.4401 58.9710 40.4253 174.4396 110 D 4.5847 10.6100 125.4738 53.4362 40.6111 176.3849 111 P 4.7003 0.0000 0.0000 62.5290 30.2549 176.7144 112 K 4.7233 9.3953 119.0415 58.8740 39.3063 178.9150 113 R 4.0900 8.1423 117.4009 58.7766 30.2300 178.4563 114 L 4.0556 7.3739 114.1329 56.2339 42.3061 176.4141 115 A 3.5389 7.7495 118.9461 52.8754 15.4345 176.9935 116 L 4.7535 7.5539 122.3316 52.7258 45.0070 175.6009 117 E 4.4545 8.4654 121.9272 57.0777 31.1714 176.1117 118 K 4.4528 7.2959 116.4624 54.7787 35.8590 175.0163 119 P 4.7982 0.0000 0.0000 62.1198 32.0673 180.3445 120 I 2.9685 9.4252 121.8955 62.1022 36.8563 174.7904 121 K 3.6188 9.4099 122.0652 55.5038 29.6259 175.5702 122 E 5.9800 7.5980 122.9674 55.6202 32.2506 175.7059 123 L 4.3182 8.5667 126.9109 54.5560 42.8373 178.3735 124 G 3.5628 6.4368 102.7761 46.0460 0.0000 171.0738 125 E 4.8039 7.5125 117.7616 54.8142 30.1088 173.8602 126 Y 4.9106 8.5333 121.6489 56.6863 40.1547 174.5847 127 V 4.7161 8.5124 122.5774 60.9450 34.1525 174.1477 128 L 4.9859 9.0748 129.3859 54.6674 45.7494 176.3065 129 T 4.6867 8.2483 120.4068 63.9515 72.5997 173.4451 130 Y 5.0194 8.3014 128.5540 57.2235 40.5529 173.8268 131 K 4.6393 7.5273 119.2417 54.3304 36.0259 174.6200 132 P 4.5958 0.0000 0.0000 64.9129 32.9039 175.8013 133 H 4.2960 7.9779 112.6861 54.1440 32.9027 173.9948 134 P 4.0762 0.0000 0.0000 63.0269 31.4007 175.1173 135 E 4.6558 8.5749 122.1579 55.3160 31.5202 176.6186 136 V 4.3573 8.2005 121.4253 58.8392 33.3423 171.8607 137 P 5.2965 0.0000 0.0000 63.4059 31.6949 175.1809 138 I 5.1091 8.1755 126.5796 60.1612 39.0897 174.8228 139 Q 5.0658 8.2605 126.1260 54.3132 32.5041 173.7931 140 L 4.9546 10.1014 124.8183 53.2530 45.5060 175.9452 141 K 5.2193 8.4394 125.9098 53.8142 31.0645 173.8351 142 V 4.3001 8.2443 113.6750 61.7774 32.9120 175.8189 143 S 4.8024 9.1928 121.4074 56.8690 65.4551 172.7349 144 V 4.6184 7.8564 120.3016 61.5722 33.3420 175.2907 145 V 3.1801 8.0404 119.4826 62.1456 31.2325 172.3856 *146 A 4.1219 8.3225 122.3254 52.4037 18.7144 176.4582 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 M 8.16 4.52 0.00 1.97 2.32 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 2 K 8.46 4.67 0.00 1.75 1.72 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.48 7.81 3 V 9.77 4.96 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 0.70 0.00 0.00 0.97 0.00 0.00 4 I 8.57 4.85 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.69 0.90 0.00 0.00 5 L 8.39 4.37 0.00 1.54 1.56 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.49 4.59 0.00 1.47 1.57 0.89 0.95 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 7 E 7.95 4.23 0.00 1.91 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 0.00 2.29 2.34 0.00 8 P 0.00 5.13 0.00 2.18 2.06 0.00 3.31 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 9 L 7.96 4.81 0.00 2.08 1.65 0.95 0.75 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 10 E 8.49 4.21 0.00 1.99 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 2.37 2.25 0.00 11 N 10.27 4.55 0.00 2.91 3.01 0.00 0.00 7.00 7.78 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 12 L 7.28 4.45 0.00 1.85 1.76 0.96 0.72 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 13 G 8.11 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 14 D 8.18 4.45 0.00 2.85 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 15 V 8.56 3.70 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 0.89 0.00 0.00 0.92 0.00 0.00 16 G 8.42 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.87 4.31 0.00 2.41 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 18 V 8.43 4.41 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 0.85 0.00 0.00 0.92 0.00 0.00 19 V 9.12 4.68 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 0.86 0.00 0.00 0.95 0.00 0.00 20 D 8.71 5.21 0.00 2.71 2.73 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 21 V 8.89 4.62 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 0.67 0.00 0.00 0.96 0.00 0.00 22 K 8.70 4.14 0.00 1.93 1.80 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.55 7.81 23 P 0.00 4.36 0.00 2.22 2.15 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 24 G 8.19 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 25 Y 8.23 4.76 0.00 2.96 3.11 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 26 A 8.25 3.83 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 27 R 8.26 3.90 0.00 2.07 2.06 0.00 3.17 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 1.69 1.71 0.00 28 N 8.93 4.94 0.00 2.75 2.93 0.00 0.00 6.80 7.34 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 29 Y 8.42 4.69 0.00 3.19 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 30 L 8.11 3.67 0.00 1.55 1.53 0.41 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.27 4.02 0.00 1.76 1.68 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.24 0.00 2.06 2.10 0.00 3.82 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 33 R 8.28 4.15 0.00 1.42 1.71 0.00 2.29 0.00 0.00 2.99 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 34 G 7.47 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 0.00 0.00 0.00 35 L 8.13 4.53 0.00 1.41 1.60 0.74 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.18 4.65 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 37 V 8.29 4.49 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 1.02 0.00 0.00 0.90 0.00 0.00 38 L 8.47 4.31 0.00 1.54 1.60 0.91 0.78 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 39 A 8.62 4.50 1.25 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 0.00 0.00 40 T 7.58 4.45 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 1.23 0.00 0.00 41 E 8.79 4.00 0.00 2.03 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 0.00 2.41 2.42 0.00 42 S 8.30 4.07 0.00 3.87 3.85 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 43 N 8.10 4.32 0.00 2.77 2.83 0.00 0.00 6.77 6.40 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 44 L 8.78 3.92 0.00 1.67 1.81 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.64 3.95 0.00 1.97 2.04 0.00 1.38 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.84 1.45 7.81 46 A 7.95 3.97 1.44 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 0.00 0.00 47 L 8.31 3.86 0.00 1.72 1.87 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.07 3.84 0.00 2.04 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 2.32 2.51 0.00 49 A 8.22 3.93 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 50 R 7.87 4.02 0.00 1.90 2.01 0.00 3.15 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 51 I 7.74 4.01 2.05 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 1.76 0.94 0.91 0.00 0.00 52 R 8.86 3.86 0.00 2.02 2.18 0.00 2.81 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.65 0.00 53 A 7.68 3.87 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 54 Q 8.01 4.17 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 55 A 8.25 4.18 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 56 K 7.89 4.38 0.00 1.98 2.02 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.39 7.81 57 R 7.70 3.90 0.00 2.00 1.97 0.00 3.24 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 58 L 7.72 4.24 0.00 1.72 1.73 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.73 4.50 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 60 E 7.75 4.12 0.00 2.26 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 0.00 2.35 2.45 0.00 61 R 7.83 4.16 0.00 1.95 1.95 0.00 3.20 0.00 0.00 3.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 62 K 7.83 4.38 0.00 1.81 1.90 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.43 7.81 63 A 8.26 4.27 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 64 E 8.05 4.35 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 2.48 2.31 0.00 65 A 7.56 4.22 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 66 E 7.63 4.32 0.00 1.97 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 67 R 7.24 4.65 0.00 1.83 1.94 0.00 3.36 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 68 L 7.60 4.57 0.00 1.72 1.68 1.00 0.79 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 69 K 7.91 3.90 0.00 1.92 1.84 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.48 7.81 70 E 8.22 4.33 0.00 2.01 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 2.62 2.25 0.00 71 I 8.26 4.36 1.88 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 1.63 0.98 0.92 0.00 0.00 72 L 7.78 4.28 0.00 1.71 1.74 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.80 4.30 0.00 2.00 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 2.33 2.29 0.00 74 N 7.92 4.64 0.00 2.73 2.85 0.00 0.00 6.83 7.85 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 75 L 8.46 4.35 0.00 1.75 1.66 0.97 0.71 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 76 T 8.14 4.96 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 1.22 0.00 0.00 77 L 8.53 3.85 0.00 1.65 1.72 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.85 3.91 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 1.30 0.00 0.00 79 I 7.77 4.35 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.90 0.94 0.00 0.00 80 P 0.00 4.72 0.00 1.93 2.05 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 81 V 7.41 3.59 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 0.96 0.00 0.00 0.97 0.00 0.00 82 R 8.76 4.24 0.00 1.87 1.71 0.00 3.09 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 83 A 8.23 5.22 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 84 G 8.12 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 0.00 0.00 0.00 85 E 9.23 3.68 0.00 2.16 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 2.22 2.27 0.00 86 T 7.98 4.87 4.23 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 1.27 0.00 0.00 87 K 7.82 4.13 0.00 1.76 1.55 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.39 7.81 88 I 8.14 4.35 1.93 0.00 0.00 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 1.46 0.99 1.11 0.00 0.00 89 Y 8.32 4.26 0.00 2.77 3.05 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 90 G 7.80 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 0.00 0.00 0.00 0.00 91 S 8.27 4.09 0.00 4.06 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 92 V 8.34 4.16 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 0.79 0.00 0.00 0.94 0.00 0.00 93 T 9.49 4.25 4.23 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 1.20 0.00 0.00 94 A 8.79 3.95 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 95 K 8.18 3.79 0.00 1.80 1.89 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.55 7.81 96 D 7.39 4.30 0.00 2.80 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 I 8.06 3.95 1.95 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 1.44 0.63 0.86 0.00 0.00 98 A 7.95 4.48 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 99 E 8.83 4.21 0.00 2.06 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 2.30 2.33 0.00 100 A 8.41 4.08 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 0.00 101 L 7.30 4.28 0.00 1.66 1.71 0.78 0.73 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 0.00 102 S 8.82 4.90 0.00 3.81 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 0.00 103 R 7.92 4.42 0.00 1.92 1.91 0.00 3.15 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 104 Q 7.95 4.52 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 105 H 8.82 4.69 0.00 3.08 3.25 0.00 5.71 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 8.27 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 0.00 0.00 0.00 0.00 107 V 7.78 4.09 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 1.00 0.00 0.00 0.96 0.00 0.00 108 T 8.31 4.70 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 1.24 0.00 0.00 109 I 7.94 4.59 1.73 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 1.29 0.43 0.37 0.00 0.00 110 D 10.61 4.58 0.00 3.00 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 0.00 111 P 0.00 4.70 0.00 2.18 2.15 0.00 3.80 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 2.01 2.00 0.00 112 K 9.40 4.72 0.00 1.68 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.43 7.81 113 R 8.14 4.09 0.00 2.05 1.69 0.00 3.15 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 114 L 7.37 4.06 0.00 1.71 1.77 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.75 3.54 1.47 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 0.00 0.00 116 L 7.55 4.75 0.00 1.55 1.51 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.47 4.45 0.00 2.09 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 2.16 2.27 0.00 118 K 7.30 4.45 0.00 1.74 1.63 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 119 P 0.00 4.80 0.00 2.20 2.25 0.00 3.98 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 120 I 9.43 2.97 1.83 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.22 0.95 0.00 0.00 121 K 9.41 3.62 0.00 1.89 1.98 0.00 1.88 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.41 7.81 122 E 7.60 5.98 0.00 2.09 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 2.23 2.03 0.00 123 L 8.57 4.32 0.00 1.68 1.62 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.44 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.51 4.80 0.00 1.77 1.82 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 2.20 2.19 0.00 126 Y 8.53 4.91 0.00 3.00 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 0.00 127 V 8.51 4.72 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 0.84 0.00 0.00 1.00 0.00 0.00 128 L 9.07 4.99 0.00 1.59 1.38 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.25 4.69 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 1.26 0.00 0.00 130 Y 8.30 5.02 0.00 2.84 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 0.00 131 K 7.53 4.64 0.00 1.77 1.56 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.42 7.81 132 P 0.00 4.60 0.00 1.98 1.84 0.00 3.65 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 133 H 7.98 4.30 0.00 3.29 3.18 0.00 5.59 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.08 0.00 1.95 2.05 0.00 3.41 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 135 E 8.57 4.66 0.00 1.85 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 2.28 2.47 0.00 136 V 8.20 4.36 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 1.04 0.00 0.00 1.01 0.00 0.00 137 P 0.00 5.30 0.00 2.16 2.33 0.00 4.01 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 2.33 1.85 0.00 138 I 8.18 5.11 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.07 0.91 0.00 0.00 139 Q 8.26 5.07 0.00 2.22 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 140 L 10.10 4.95 0.00 1.79 1.54 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.44 5.22 0.00 1.73 1.70 0.00 2.00 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.28 7.81 142 V 8.24 4.30 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 0.85 0.00 0.00 1.10 0.00 0.00 143 S 9.19 4.80 0.00 3.83 3.72 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 0.00 144 V 7.86 4.62 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 1.26 0.00 0.00 0.95 0.00 0.00 145 V 8.04 3.18 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 0.78 0.00 0.00 0.92 0.00 0.00 *146 A 8.32 4.12 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 * Residues marked with a * may have inaccurate shift predictions.