NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4608 8.2893 120.3310 54.6708 32.9267 177.9290 2 S 4.3362 9.1256 122.0929 57.7158 64.1552 172.6130 3 N 4.9860 9.3539 123.2524 52.2078 42.7673 174.8692 4 T 4.3705 8.5340 119.6753 64.0239 68.9685 174.2330 5 L 4.8078 8.2432 119.9806 54.1197 44.5055 176.6113 6 F 4.8249 7.7156 117.5593 57.7536 42.4182 171.9224 7 D 4.7190 7.5766 123.3574 53.0154 44.4284 173.2958 8 D 4.3151 8.1987 122.3181 53.8160 45.9194 173.7914 9 I 4.9152 7.7500 121.9965 59.4966 39.7843 174.9334 10 F 5.3561 9.4633 125.2457 55.6377 43.0705 173.8073 11 Q 5.1319 9.4581 123.0250 54.1609 31.9340 174.7392 12 V 4.2566 9.2493 127.6669 63.2130 32.0270 176.2017 13 S 4.6417 9.0948 122.7132 59.1550 65.3220 174.5293 14 E 4.9121 8.0285 118.5001 54.1635 33.7892 174.9738 15 V 4.7017 8.4234 122.4209 59.9318 34.2383 174.6791 16 D 4.5419 8.6214 123.5667 52.2606 44.1110 172.4858 17 P 4.7012 0.0000 0.0000 61.1040 30.9191 177.1529 18 G 3.8538 8.2331 121.2384 45.2450 0.0000 171.8900 19 R 3.8105 7.8430 110.9687 57.1210 27.5968 175.9898 20 Y 4.9318 7.7649 114.3514 56.4604 40.9605 174.9260 21 N 5.0625 8.8394 115.2658 53.0808 41.1942 175.5105 22 K 4.6847 8.0872 114.3565 55.3548 34.9505 175.8560 23 V 4.8499 7.8774 119.0089 61.1240 34.5248 174.3284 24 C 5.1033 8.6725 123.0114 57.9733 32.1501 172.9074 25 R 4.7883 8.4398 122.8523 55.4217 31.4936 174.7853 26 I 4.9003 8.9345 126.3105 59.2258 41.2525 173.5321 27 E 5.1078 8.8321 128.3885 54.6929 31.6459 174.8213 28 A 5.2057 9.1163 126.3206 50.0675 22.5655 174.8482 29 A 5.0326 9.1830 123.0789 50.8476 21.6574 175.9716 30 S 4.7857 8.5628 113.8430 56.9894 64.3049 173.6399 31 T 4.1394 7.8943 122.7444 64.6297 68.6694 174.2472 32 T 3.7395 8.9225 126.8282 64.0351 66.8566 172.4669 33 Q 4.2158 7.7137 121.3467 55.7070 28.1258 174.8795 34 D 4.8675 8.6391 122.9041 54.2983 40.8367 176.9751 35 Q 4.6369 7.9569 114.9693 55.6245 29.4338 173.8564 36 C 5.4076 8.4908 117.7834 57.0285 34.3746 173.0127 37 K 4.9789 8.7306 123.7836 55.1666 36.5287 174.5905 38 L 5.0653 8.7756 122.1217 53.6966 45.7486 175.2377 39 T 5.1405 8.7708 121.5503 61.8283 72.5476 172.6722 40 L 5.0793 8.9738 127.3884 53.8180 46.2666 173.8829 41 D 5.2232 8.6644 125.4818 53.5872 42.0533 176.0621 42 I 4.5122 8.7860 124.3505 59.2795 41.2689 174.6236 43 N 5.2271 9.7877 126.3537 53.3437 38.0197 175.1671 44 V 4.0147 8.3508 123.8926 63.9125 31.6299 176.1019 45 E 4.2017 8.4439 120.0629 59.1450 30.1664 177.2452 46 L 4.2293 8.3338 117.9315 56.4578 42.0561 176.7845 47 F 4.8923 8.0847 121.9025 55.1393 39.9574 172.0838 48 P 4.2884 0.0000 0.0000 62.1874 31.7988 176.6635 49 V 3.9106 7.9033 120.3448 61.1540 33.5419 174.7253 50 A 4.5389 8.2483 129.8004 49.9749 20.8815 176.1294 51 A 4.1095 8.2046 122.1334 53.3781 18.9425 177.2451 52 Q 3.6120 8.2390 117.1958 57.3505 27.0503 173.6872 53 D 5.1307 7.8756 115.6647 52.7665 44.2715 175.8327 54 S 5.2328 8.5782 114.9549 56.7857 64.8317 173.3093 55 L 5.0303 9.2927 124.3807 53.0225 46.0193 175.4960 56 T 5.0240 8.2558 116.4948 62.0068 71.4042 173.2961 57 V 4.8543 8.6808 127.0677 61.5545 33.9306 174.8120 58 T 5.0457 8.8888 123.8771 62.3344 71.9825 173.8360 59 I 4.1186 8.3136 120.0104 63.1153 39.4187 177.8698 60 A 3.9325 8.3856 124.5720 52.1776 17.4894 178.4027 61 S 4.7950 7.8757 108.4577 59.4546 65.1776 175.1786 62 S 4.4746 7.6051 113.4382 59.6876 65.9335 175.4423 63 L 3.9958 8.0928 120.5168 53.0998 40.6116 177.5241 *76 T 3.9650 7.4025 113.1627 63.8524 69.0194 173.3113 77 R 4.1247 8.5325 126.9168 54.9385 29.6573 176.7045 78 S 4.3664 8.3523 114.3074 58.0137 63.6385 173.6503 79 W 4.6121 8.4354 130.4350 56.8428 31.3677 175.4263 80 R 4.4117 6.9549 120.4825 53.5092 33.4113 175.4940 81 P 3.9102 0.0000 0.0000 61.4582 31.4943 173.7592 82 P 4.1762 0.0000 0.0000 64.0545 32.2623 176.1037 83 Q 4.0314 8.9070 117.6208 55.7425 26.4901 175.2270 84 A 3.9378 7.3307 120.7768 53.9247 18.9002 179.9962 85 G 3.6231 7.9315 104.0940 48.1353 0.0000 174.0452 86 D 4.5912 7.4636 116.9275 54.5348 41.2698 175.6995 87 R 4.7384 7.4438 116.1735 54.4884 33.2929 175.3610 88 S 4.3536 8.4286 115.2622 57.8633 63.8788 173.9837 89 L 4.4048 8.1948 123.8055 54.1945 42.6679 177.2901 90 A 4.4062 8.4243 131.2456 51.4578 16.3742 178.9872 91 D 5.0243 7.4791 120.3959 52.3047 40.3703 175.0167 92 D 4.7764 8.3792 127.8348 54.9762 41.4543 176.0339 93 Y 4.6965 7.8406 115.5090 56.5413 40.6144 174.8393 94 D 4.6080 8.2208 119.5152 56.1385 41.4043 176.0100 95 Y 4.3243 7.6652 118.9969 56.7456 40.5836 174.2861 96 V 4.9336 7.8522 125.6104 62.1836 34.7316 173.1725 97 M 4.9758 9.2936 126.7459 53.6664 36.3249 173.5411 98 Y 4.7437 8.5939 120.3067 56.1410 42.2806 174.5771 99 G 3.6678 7.5914 111.1263 45.3951 0.0000 171.3388 100 T 4.7811 8.3088 114.8622 61.5089 72.0708 173.4371 101 A 4.4986 8.4580 126.0200 50.8987 20.0176 175.1710 102 Y 4.5737 8.1723 119.8323 58.0404 39.7278 176.2555 103 K 4.5611 6.6545 119.2756 53.7719 35.9939 174.8854 104 F 4.9082 8.6011 121.1303 55.5599 39.2988 174.1165 105 E 4.2888 8.7245 123.4592 55.6245 31.5688 175.0367 106 E 4.6883 8.5705 123.9831 54.0033 31.0387 177.1857 107 V 3.8061 7.7188 129.7363 61.8762 30.2982 174.8739 108 S 4.0038 7.6296 121.7108 58.0830 63.7700 173.8342 109 K 3.8206 7.9706 120.9147 58.2880 33.7812 178.0099 110 D 4.6132 8.3594 110.7614 50.8048 37.8343 174.3484 111 L 4.4741 8.1223 125.8602 55.7204 45.0811 173.5409 112 I 4.6105 8.3555 126.5882 59.1574 41.3804 173.8655 113 A 4.9923 8.6748 127.6751 50.3329 22.3760 175.5322 114 V 4.0382 8.3010 115.6161 59.5863 34.9827 174.6053 115 Y 5.1344 7.1810 120.5765 56.4312 40.8306 174.4272 116 Y 5.1513 9.0273 121.4340 56.1141 42.4367 174.9880 117 S 4.7760 8.9469 115.9947 56.4931 65.2040 174.2051 118 F 4.9605 8.5002 130.5737 56.7479 37.7246 176.6265 119 G 3.9183 9.0122 113.0417 46.0411 0.0000 169.7726 120 G 4.1834 8.1890 108.0622 45.8585 0.0000 173.4195 121 L 4.3226 7.9532 120.8125 54.1440 42.8635 176.7895 122 L 5.2974 10.4944 124.7946 53.8688 44.5851 175.2745 123 M 5.4422 9.1480 119.6244 54.1499 36.2986 173.7661 124 R 4.9196 9.3701 125.6733 54.4977 33.5958 173.3858 125 L 5.1091 8.5577 128.0273 53.1347 45.3105 174.5955 126 E 4.9944 8.7479 125.6163 52.9520 32.9456 174.8572 127 G 4.2369 8.2536 117.0297 45.9157 0.0000 172.9737 128 N 4.4164 7.8890 125.3305 54.3071 44.1470 174.6607 129 Y 4.8279 8.0525 114.0798 57.3759 38.1180 175.5394 130 R 4.6986 7.5339 117.8301 56.5925 30.9720 177.7526 131 N 4.5834 8.3187 116.4665 55.3770 39.3830 176.6399 132 L 4.4794 7.8434 114.5124 54.7124 41.5589 176.5364 133 N 4.5916 7.4775 115.3499 54.8103 39.8116 175.5756 134 N 4.6744 7.7660 126.9336 52.3386 37.5661 175.4422 135 L 4.2461 8.0448 123.7160 53.8745 43.1085 178.7290 136 K 4.3833 7.8636 119.3382 55.3284 30.0039 175.6724 137 Q 4.6667 7.8541 121.5941 53.6435 32.3273 176.0126 138 E 3.8092 8.9786 123.8012 59.0974 30.3964 177.7966 139 N 4.6073 7.3408 120.1444 54.6278 39.2963 174.9558 140 A 4.0086 9.2084 126.4162 54.2834 16.8944 176.9059 141 Y 5.0612 7.7022 120.9432 58.3841 40.9639 174.8392 142 L 4.5607 8.2567 119.0008 54.8794 46.3051 174.6755 143 L 5.0615 8.5081 125.1131 52.9571 45.4596 175.4965 144 I 5.6499 8.9789 123.9128 58.5071 41.1225 174.7815 145 R 4.8204 8.1843 120.7024 55.3197 33.3609 175.4121 146 R 4.2372 8.5370 119.0789 57.0564 30.8749 176.1828 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 8.29 4.46 0.00 2.04 1.64 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 S 9.13 4.34 0.00 3.91 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 3 N 9.35 4.99 0.00 2.85 2.67 0.00 0.00 7.17 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 4 T 8.53 4.37 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 5 L 8.24 4.81 0.00 1.68 1.90 1.02 0.91 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 6 F 7.72 4.82 0.00 3.09 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 7 D 7.58 4.72 0.00 2.56 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 0.00 0.00 0.00 0.00 8 D 8.20 4.32 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.75 4.92 1.78 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 1.34 0.82 0.91 0.00 0.00 10 F 9.46 5.36 0.00 2.99 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 11 Q 9.46 5.13 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 12 V 9.25 4.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.94 0.00 0.00 13 S 9.09 4.64 0.00 3.90 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.03 4.91 0.00 1.89 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 2.29 2.29 0.00 15 V 8.42 4.70 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 0.70 0.00 0.00 0.92 0.00 0.00 16 D 8.62 4.54 0.00 2.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.70 0.00 2.14 2.13 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 18 G 8.23 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 0.00 0.00 0.00 19 R 7.84 3.81 0.00 1.69 1.83 0.00 3.23 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 20 Y 7.76 4.93 0.00 3.07 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 21 N 8.84 5.06 0.00 2.72 2.85 0.00 0.00 6.65 7.61 0.00 0.00 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 8.09 4.68 0.00 1.66 1.78 0.00 1.61 0.00 0.00 2.04 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.42 7.81 23 V 7.88 4.85 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.82 0.00 0.00 24 C 8.67 5.10 0.00 2.89 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 25 R 8.44 4.79 0.00 2.00 1.82 0.00 3.06 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 26 I 8.93 4.90 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.45 0.85 0.00 0.00 27 E 8.83 5.11 0.00 2.03 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 2.25 2.28 0.00 28 A 9.12 5.21 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.18 5.03 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 30 S 8.56 4.79 0.00 3.87 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 31 T 7.89 4.14 4.17 0.00 0.00 0.00 0.00 0.00 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 32 T 8.92 3.74 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 1.18 0.00 0.00 33 Q 7.71 4.22 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.44 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 34 D 8.64 4.87 0.00 2.68 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 35 Q 7.96 4.64 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 36 C 8.49 5.41 0.00 3.07 2.91 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 37 K 8.73 4.98 0.00 1.85 1.89 0.00 1.50 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.41 7.81 38 L 8.78 5.07 0.00 1.04 1.17 0.66 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.77 5.14 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 1.29 0.00 0.00 40 L 8.97 5.08 0.00 1.61 1.33 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.66 5.22 0.00 2.69 2.56 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 42 I 8.79 4.51 1.79 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.03 0.86 0.00 0.00 43 N 9.79 5.23 0.00 2.80 2.84 0.00 0.00 6.72 7.50 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 44 V 8.35 4.01 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 0.78 0.00 0.00 1.00 0.00 0.00 45 E 8.44 4.20 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 46 L 8.33 4.23 0.00 1.71 1.71 0.82 0.60 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 47 F 8.08 4.89 0.00 3.08 3.43 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 48 P 0.00 4.29 0.00 1.90 1.87 0.00 3.48 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 49 V 7.90 3.91 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 0.76 0.00 0.00 0.81 0.00 0.00 50 A 8.25 4.54 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 51 A 8.20 4.11 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 52 Q 8.24 3.61 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 53 D 7.88 5.13 0.00 2.69 2.58 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 0.00 0.00 0.00 0.00 54 S 8.58 5.23 0.00 3.88 3.87 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 55 L 9.29 5.03 0.00 1.65 1.66 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.26 5.02 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 57 V 8.68 4.85 2.42 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 1.08 0.00 0.00 0.94 0.00 0.00 58 T 8.89 5.05 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 1.34 0.00 0.00 59 I 8.31 4.12 2.06 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 1.16 0.84 0.90 0.00 0.00 60 A 8.39 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 61 S 7.88 4.79 0.00 4.20 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 62 S 7.61 4.47 0.00 3.92 3.69 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 63 L 8.09 4.00 0.00 1.62 1.65 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.40 3.96 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 77 R 8.53 4.12 0.00 2.00 2.00 0.00 3.22 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 78 S 8.35 4.37 0.00 4.03 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 79 W 8.44 4.61 0.00 3.17 3.20 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 80 R 6.95 4.41 0.00 1.47 1.50 0.00 3.17 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 81 P 0.00 3.91 0.00 2.05 1.82 0.00 3.42 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 82 P 0.00 4.18 0.00 1.99 1.98 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 83 Q 8.91 4.03 0.00 2.12 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 84 A 7.33 3.94 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 0.00 0.00 0.00 0.00 0.00 85 G 7.93 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 86 D 7.46 4.59 0.00 2.71 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 87 R 7.44 4.74 0.00 1.87 1.75 0.00 3.25 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 88 S 8.43 4.35 0.00 3.97 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 89 L 8.19 4.40 0.00 2.02 1.66 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.42 4.41 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 91 D 7.48 5.02 0.00 2.85 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 92 D 8.38 4.78 0.00 2.29 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.84 4.70 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.22 4.61 0.00 1.99 2.51 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 95 Y 7.67 4.32 0.00 2.54 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.85 4.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.96 0.00 0.00 97 M 9.29 4.98 0.00 1.87 1.39 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.33 0.00 98 Y 8.59 4.74 0.00 2.58 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.59 3.67 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 0.00 0.00 0.00 100 T 8.31 4.78 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 101 A 8.46 4.50 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.17 4.57 0.00 2.86 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 0.00 103 K 6.65 4.56 0.00 1.42 1.70 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.41 1.32 7.81 104 F 8.60 4.91 0.00 2.77 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 0.00 105 E 8.72 4.29 0.00 2.19 1.72 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 2.31 2.34 0.00 106 E 8.57 4.69 0.00 1.85 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 2.19 2.26 0.00 107 V 7.72 3.81 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 0.75 0.00 0.00 0.95 0.00 0.00 108 S 7.63 4.00 0.00 4.10 3.87 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 0.00 109 K 7.97 3.82 0.00 1.94 1.41 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.41 7.81 110 D 8.36 4.61 0.00 2.81 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 0.00 111 L 8.12 4.47 0.00 1.95 1.73 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.36 4.61 1.84 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 1.33 1.27 0.89 0.00 0.00 113 A 8.67 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.30 4.04 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.89 0.00 0.00 115 Y 7.18 5.13 0.00 2.06 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 0.00 116 Y 9.03 5.15 0.00 2.86 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 0.00 0.00 0.00 117 S 8.95 4.78 0.00 3.60 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.50 4.96 0.00 3.16 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 0.00 119 G 9.01 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 0.00 0.00 0.00 120 G 8.19 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.32 0.00 1.77 1.68 0.96 0.57 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 0.00 122 L 10.49 5.30 0.00 1.83 1.72 0.94 0.62 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 0.00 123 M 9.15 5.44 0.00 2.51 2.11 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.75 0.00 124 R 9.37 4.92 0.00 2.02 1.74 0.00 3.28 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.02 0.00 125 L 8.56 5.11 0.00 1.68 1.28 0.92 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.75 4.99 0.00 1.99 1.70 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 2.14 2.14 0.00 127 G 8.25 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 0.00 0.00 0.00 0.00 128 N 7.89 4.42 0.00 2.79 2.93 0.00 0.00 6.67 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 0.00 129 Y 8.05 4.83 0.00 3.15 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 0.00 130 R 7.53 4.70 0.00 1.66 1.77 0.00 2.68 0.00 0.00 2.46 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.98 0.00 131 N 8.32 4.58 0.00 2.72 2.86 0.00 0.00 7.13 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 0.00 132 L 7.84 4.48 0.00 1.66 1.70 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.48 4.59 0.00 2.75 2.98 0.00 0.00 7.06 8.00 0.00 0.00 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 N 7.77 4.67 0.00 2.89 2.98 0.00 0.00 7.23 7.73 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 0.00 135 L 8.04 4.25 0.00 1.66 1.61 0.92 0.90 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 0.00 136 K 7.86 4.38 0.00 1.56 1.71 0.00 0.73 0.00 0.00 1.07 0.00 0.00 2.79 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.10 0.27 7.81 137 Q 7.85 4.67 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 138 E 8.98 3.81 0.00 2.08 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 2.36 2.34 0.00 139 N 7.34 4.61 0.00 2.76 2.89 0.00 0.00 7.25 7.23 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 0.00 140 A 9.21 4.01 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 7.70 5.06 0.00 3.07 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 0.00 142 L 8.26 4.56 0.00 1.73 1.17 0.86 0.21 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 0.00 143 L 8.51 5.06 0.00 0.75 0.39 0.73 0.13 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 0.00 144 I 8.98 5.65 1.69 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 2.01 0.84 0.00 0.00 145 R 8.18 4.82 0.00 1.95 2.19 0.00 2.86 0.00 0.00 2.64 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 146 R 8.54 4.24 0.00 1.94 1.98 0.00 3.17 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.