NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.6069 8.3349 117.1004 57.6136 65.7514 174.4253 3 H 4.6618 7.7186 115.0359 55.5092 29.1633 173.6069 *5 K 4.4511 9.4791 125.7035 57.8195 34.7797 177.0289 6 H 4.0517 7.9933 115.3493 59.3165 28.5477 177.7115 7 T 3.8726 7.7941 116.8606 66.6872 68.3623 176.4865 8 E 3.9946 8.0664 120.0422 59.1291 28.9825 179.2067 9 L 3.8778 8.0767 119.3154 58.0621 41.6986 179.9245 10 R 3.9593 8.1366 117.5570 58.9574 29.8802 179.0767 11 A 3.9392 8.1381 120.7438 54.7361 18.2280 179.3875 12 A 3.8661 8.0266 119.4309 55.2773 18.4015 180.1398 13 V 3.4874 7.3799 115.6663 66.1764 31.7088 178.1023 14 L 3.7829 8.0464 119.0173 57.9948 41.4395 179.4317 15 D 4.1904 8.2107 118.4655 57.2072 40.6650 178.6139 16 A 4.0004 7.6163 121.3134 55.0700 18.2064 179.8052 17 L 3.9332 7.9291 117.4590 58.0106 41.7308 179.3271 18 E 3.7622 7.9527 119.5617 58.8669 29.1728 178.8329 19 K 3.9324 8.2081 119.6176 59.4883 32.3746 177.7699 20 H 4.5011 8.2430 118.1230 57.8853 29.8528 174.9276 21 D 4.5308 7.7588 120.8832 52.0327 40.7304 175.1575 22 T 4.7161 7.7811 120.5777 63.8260 69.1322 175.4518 23 G 3.9699 9.0306 112.0860 45.2558 0.0000 173.8481 24 A 4.2142 7.6935 121.5271 51.9419 19.5807 176.6925 25 T 4.1795 7.8291 116.3694 62.6409 69.6256 174.2204 26 F 5.5334 8.3794 124.5972 55.6641 42.7164 174.8290 27 F 4.6953 9.4633 119.6086 56.0839 43.0831 173.8371 28 D 5.0500 9.0618 124.0246 52.4771 40.0120 174.8034 29 G 4.1166 8.2119 108.7507 43.1470 0.0000 171.5190 30 R 3.9420 7.8826 121.2488 54.1701 29.8565 174.6859 31 P 4.1078 0.0000 0.0000 62.2173 32.0866 175.6817 32 A 4.6431 7.7958 119.5525 51.6938 21.0118 176.7105 33 V 4.4874 6.8844 113.7723 60.9815 34.4766 174.0502 34 F 4.5371 8.5310 122.8135 55.5573 43.0193 173.3535 35 D 4.7357 7.6893 122.5242 53.7357 43.0726 176.9170 36 E 3.8017 8.4863 122.6620 59.0654 30.5312 175.4429 37 A 4.0686 8.1877 121.7649 55.3043 18.4669 178.3995 38 D 4.4700 8.0081 114.1254 57.3829 41.0649 178.0455 39 F 4.5126 7.4192 116.7624 57.3987 39.3869 173.0880 40 P 4.6047 0.0000 0.0000 62.5503 32.0449 175.2384 41 A 4.9564 8.6690 125.6061 50.3407 21.6391 175.6366 42 V 5.1163 9.0843 121.3442 61.0438 34.6765 174.1397 43 A 5.6064 9.4495 129.1335 50.2266 22.0307 174.8262 44 V 4.9404 9.0076 122.1298 61.2927 34.2968 174.1184 45 Y 4.9685 8.4813 124.8375 56.0575 41.9710 173.3634 46 L 5.5193 8.6730 119.2029 53.3381 44.5796 176.1445 47 T 4.6783 8.4745 111.3394 60.6942 72.6762 174.5715 48 G 4.0450 9.2043 108.9282 45.9009 0.0000 173.5523 49 A 4.7990 8.1498 121.3716 52.7155 18.7474 177.2551 50 E 4.4886 9.6195 119.7926 54.9088 33.7727 173.5618 51 Y 3.1730 7.0754 122.5052 56.2268 39.4257 174.9824 52 T 4.0829 7.9864 117.4927 61.0882 69.7335 174.7629 53 G 3.8642 5.3800 107.9082 45.1447 0.0000 175.9578 54 E 3.9110 7.7766 124.5613 59.9302 29.7725 179.0995 55 E 4.1670 7.9339 110.4352 57.3205 29.5584 179.3160 56 L 4.3650 8.0466 116.6989 56.1413 44.9819 174.6991 57 D 4.3379 8.0427 115.2140 55.2882 38.7842 171.1061 58 S 4.7713 8.9900 116.2221 56.7105 66.3095 173.1823 59 D 5.3170 8.6604 121.6274 54.9732 41.5276 177.7887 60 T 4.3052 7.5335 114.6623 61.3753 69.6994 177.8947 61 W 4.8701 8.8183 124.9542 54.1508 33.4217 174.2475 62 Q 5.0196 9.1849 121.5955 54.9687 32.3488 173.3694 63 A 5.0592 9.2642 125.8147 50.9369 23.7348 174.3815 64 E 4.8120 9.2490 121.3599 54.9779 31.4022 174.5835 65 L 4.9278 9.1553 130.0594 54.0840 43.9783 174.6111 66 H 5.1836 9.1150 123.7576 54.0440 31.9031 173.8086 67 I 4.7700 8.6798 122.4648 59.7578 40.3797 173.4913 68 E 4.8883 9.3082 128.9856 54.1278 32.3026 174.5548 69 V 4.7589 8.2592 126.5380 61.2733 33.8302 174.3296 70 F 5.0291 9.2013 126.1039 55.9567 42.2031 174.3784 71 L 3.6427 8.0621 120.1780 52.2431 46.9091 173.2205 72 P 4.4730 0.0000 0.0000 62.7493 31.9069 177.9029 73 A 3.9008 8.9213 126.2155 55.2492 18.4527 179.1913 74 Q 4.5262 7.7598 111.5123 54.5291 29.2175 181.0975 75 V 3.8433 7.0411 110.9427 61.5035 32.2973 174.4668 76 P 4.3439 0.0000 0.0000 62.3339 32.1941 177.1781 77 A 4.0341 8.7117 122.5798 55.8030 18.0493 180.2759 78 S 4.2433 8.0701 112.7980 61.3402 62.3393 176.2127 79 E 4.0685 8.5266 123.0530 59.1354 29.1310 178.8080 80 L 4.1275 7.9157 117.7913 58.0056 41.9184 178.6797 81 D 4.8496 8.4145 118.6493 56.7609 41.0034 178.4286 82 A 4.2735 8.3242 121.4746 54.7106 18.3820 180.1917 83 W 3.6706 7.9676 123.5140 58.0131 30.4258 177.3083 *85 E 4.3333 8.1409 119.7870 55.2178 30.5720 176.3326 86 S 4.6589 7.9739 109.7776 58.1941 63.9062 173.9223 87 R 4.2986 8.0437 117.9209 58.2999 32.0103 177.0661 88 I 3.9281 7.8193 117.6931 64.6986 37.6123 178.0012 89 Y 4.1479 8.1584 116.1354 60.7112 37.9188 176.1114 90 P 4.4125 0.0000 0.0000 65.6859 31.7448 177.4202 91 V 3.8705 7.4759 116.5984 63.3295 31.0499 177.6778 *93 S 4.3956 8.0789 114.7270 57.6232 64.5345 173.1194 94 D 4.3758 7.9784 119.8893 52.2273 41.8862 174.4018 95 I 4.3982 7.7972 127.0560 57.6593 38.5691 173.7243 96 P 4.1991 0.0000 0.0000 65.4629 31.2188 177.8344 97 A 4.1502 7.9546 117.7134 55.1738 18.4751 179.0331 98 L 3.9797 7.7341 118.2430 58.1427 42.2921 178.7391 99 S 4.0446 8.1086 113.1482 61.7020 62.1468 175.9847 100 D 4.4701 8.4322 119.9101 56.5447 40.5704 177.7971 101 L 4.4648 7.6445 118.0929 54.2924 42.3772 175.5534 102 I 4.7514 7.3353 111.0335 59.1849 40.3399 174.7327 103 T 4.6327 8.2879 109.0930 62.4759 70.7831 173.9499 104 S 4.5640 7.6999 115.3080 57.6699 66.3805 174.0369 *106 V 4.2741 8.1002 117.8250 61.3191 32.5892 175.1296 107 A 4.1882 8.8004 124.2176 52.9082 18.6719 175.9156 108 S 4.4154 8.5591 112.9871 59.1082 64.1959 174.1463 109 G 4.1742 7.6416 103.4423 45.5456 0.0000 170.9633 110 Y 4.8975 8.4107 120.2247 56.2564 41.3657 173.1426 111 D 5.1086 8.4010 126.7463 52.5782 44.4976 175.1021 112 Y 4.9730 8.5370 118.9179 56.6400 39.4644 175.3180 113 R 5.0103 8.9343 123.0814 54.3255 34.7228 174.5049 114 R 4.6938 8.2878 116.2231 54.1128 33.4538 174.0192 115 D 3.3700 7.5074 120.8864 54.0520 40.8700 177.3484 116 D 4.2708 8.6312 128.5500 56.7078 40.3186 175.0490 117 D 4.5628 8.0753 117.3623 54.9246 40.3190 178.5183 118 A 4.4461 8.3855 118.5006 52.7436 20.9423 177.1297 119 G 3.7338 8.3419 101.4163 46.1959 0.0000 174.1114 120 L 4.4611 8.0369 120.4075 54.7624 42.9224 176.5700 121 W 5.5812 7.1268 114.8032 54.9741 32.2041 173.7698 122 S 5.4595 9.4809 114.6890 57.0904 66.5092 172.8572 123 S 4.8116 9.7763 115.1887 57.2364 67.2835 172.4409 124 A 4.5181 8.3386 120.5859 50.1818 21.6984 174.8358 125 D 4.6045 8.5699 123.8126 53.0972 42.8308 174.9148 126 L 4.6984 8.3382 129.8832 53.9558 43.7117 175.3167 127 T 5.0891 8.4390 116.0976 60.0400 72.1433 172.4560 128 Y 5.1595 8.9646 121.2607 56.2484 41.9365 174.5273 129 V 4.6677 8.5530 123.3777 61.7159 32.7773 175.1814 130 I 5.1911 8.9511 120.9560 59.3469 41.4205 174.2829 131 T 5.2639 8.4600 112.7772 60.6089 72.2761 172.3370 132 Y 5.0305 7.7368 119.8889 56.8893 42.1351 174.5142 133 E 4.5472 8.8967 118.0204 56.7332 30.2486 176.2008 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 2 S 8.33 4.61 0.00 3.65 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 3 H 7.72 4.66 0.00 3.09 2.90 0.00 5.89 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 K 9.48 4.45 0.00 1.78 1.69 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.64 1.38 7.81 6 H 7.99 4.05 0.00 3.13 3.26 0.00 5.69 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 7 T 7.79 3.87 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 1.22 0.00 0.00 8 E 8.07 3.99 0.00 2.11 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 2.39 2.39 0.00 9 L 8.08 3.88 0.00 1.74 1.57 0.31 1.02 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 10 R 8.14 3.96 0.00 1.85 1.99 0.00 3.35 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 11 A 8.14 3.94 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 12 A 8.03 3.87 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 13 V 7.38 3.49 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.85 0.00 0.00 14 L 8.05 3.78 0.00 1.68 1.53 0.98 1.36 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 15 D 8.21 4.19 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.62 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.93 3.93 0.00 1.57 1.88 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.95 3.76 0.00 1.29 1.67 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 2.34 2.36 0.00 19 K 8.21 3.93 0.00 1.97 1.89 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81 20 H 8.24 4.50 0.00 3.31 3.54 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.76 4.53 0.00 2.78 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 22 T 7.78 4.72 4.29 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 1.29 0.00 0.00 23 G 9.03 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 0.00 0.00 0.00 24 A 7.69 4.21 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 25 T 7.83 4.18 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 1.17 0.00 0.00 26 F 8.38 5.53 0.00 2.81 2.90 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 27 F 9.46 4.70 0.00 3.06 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 28 D 9.06 5.05 0.00 2.70 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.21 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 30 R 7.88 3.94 0.00 0.67 1.39 0.00 2.89 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 31 P 0.00 4.11 0.00 0.76 0.96 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 0.79 0.59 0.00 32 A 7.80 4.64 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 33 V 6.88 4.49 1.88 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 0.82 0.00 0.00 0.89 0.00 0.00 34 F 8.53 4.54 0.00 2.56 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.69 4.74 0.00 2.40 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 36 E 8.49 3.80 0.00 1.94 1.92 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 2.32 1.94 0.00 37 A 8.19 4.07 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 38 D 8.01 4.47 0.00 2.63 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 39 F 7.42 4.51 0.00 3.19 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 40 P 0.00 4.60 0.00 0.88 1.08 0.00 3.50 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.00 41 A 8.67 4.96 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 42 V 9.08 5.12 2.21 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 1.31 0.00 0.00 1.08 0.00 0.00 43 A 9.45 5.61 1.69 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 0.00 0.00 44 V 9.01 4.94 2.17 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 1.00 0.00 0.00 1.02 0.00 0.00 45 Y 8.48 4.97 0.00 3.11 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 46 L 8.67 5.52 0.00 1.52 1.61 0.61 0.77 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 T 8.47 4.68 4.38 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 1.39 0.00 0.00 48 G 9.20 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 49 A 8.15 4.80 1.62 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 50 E 9.62 4.49 0.00 1.80 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 2.34 2.11 0.00 51 Y 7.08 3.17 0.00 1.49 2.25 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 52 T 7.99 4.08 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 1.01 0.00 0.00 53 G 5.38 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 54 E 7.78 3.91 0.00 2.24 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 2.39 2.35 0.00 55 E 7.93 4.17 0.00 2.03 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 2.23 1.87 0.00 56 L 8.05 4.36 0.00 1.53 1.55 0.89 1.25 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 57 D 8.04 4.34 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.99 4.77 0.00 3.76 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 59 D 8.66 5.32 0.00 2.68 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 60 T 7.53 4.31 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 61 W 8.82 4.87 0.00 2.56 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 62 Q 9.18 5.02 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 63 A 9.26 5.06 1.55 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 0.00 0.00 64 E 9.25 4.81 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 65 L 9.16 4.93 0.00 1.78 1.74 0.87 0.76 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 66 H 9.11 5.18 0.00 1.40 2.68 0.00 5.63 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 67 I 8.68 4.77 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.59 0.97 0.00 0.00 68 E 9.31 4.89 0.00 2.17 1.93 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 1.47 1.84 0.00 69 V 8.26 4.76 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 0.81 0.00 0.00 1.01 0.00 0.00 70 F 9.20 5.03 0.00 2.55 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.06 3.64 0.00 1.29 1.16 0.84 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.47 0.00 1.97 1.98 0.00 3.28 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 73 A 8.92 3.90 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 74 Q 7.76 4.53 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.19 1.92 0.00 75 V 7.04 3.84 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 0.77 0.00 0.00 0.90 0.00 0.00 76 P 0.00 4.34 0.00 2.21 2.17 0.00 3.84 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 2.08 1.97 0.00 77 A 8.71 4.03 1.10 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 0.00 0.00 78 S 8.07 4.24 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 79 E 8.53 4.07 0.00 2.11 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 2.37 2.43 0.00 80 L 7.92 4.13 0.00 2.03 1.82 1.06 0.99 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 81 D 8.41 4.85 0.00 2.97 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 82 A 8.32 4.27 1.52 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 0.00 0.00 83 W 7.97 3.67 0.00 3.60 3.17 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 0.00 *85 E 8.14 4.33 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 86 S 7.97 4.66 0.00 3.90 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 87 R 8.04 4.30 0.00 1.80 1.98 0.00 2.82 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.67 0.00 88 I 7.82 3.93 1.82 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.86 0.00 0.00 89 Y 8.16 4.15 0.00 2.98 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 90 P 0.00 4.41 0.00 1.99 2.15 0.00 3.77 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 2.04 2.16 0.00 91 V 7.48 3.87 2.27 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 0.94 0.00 0.00 0.86 0.00 0.00 *93 S 8.08 4.40 0.00 4.09 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 94 D 7.98 4.38 0.00 2.64 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 95 I 7.80 4.40 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.69 0.87 0.00 0.00 96 P 0.00 4.20 0.00 2.13 2.09 0.00 3.59 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 97 A 7.95 4.15 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 98 L 7.73 3.98 0.00 1.69 1.77 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.11 4.04 0.00 3.90 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 0.00 100 D 8.43 4.47 0.00 2.62 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 0.00 101 L 7.64 4.46 0.00 1.73 1.67 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.34 4.75 2.16 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 1.64 0.70 0.91 0.00 0.00 103 T 8.29 4.63 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 1.27 0.00 0.00 104 S 7.70 4.56 0.00 3.90 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 *106 V 8.10 4.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.98 0.00 0.00 107 A 8.80 4.19 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.56 4.42 0.00 3.83 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 0.00 109 G 7.64 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 0.00 0.00 0.00 0.00 110 Y 8.41 4.90 0.00 3.01 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 0.00 111 D 8.40 5.11 0.00 2.52 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.54 4.97 0.00 2.88 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 0.00 113 R 8.93 5.01 0.00 1.88 1.94 0.00 3.09 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 114 R 8.29 4.69 0.00 1.52 1.81 0.00 2.95 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 115 D 7.51 3.37 0.00 1.58 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 0.00 0.00 0.00 116 D 8.63 4.27 0.00 2.74 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 0.00 117 D 8.08 4.56 0.00 2.69 2.61 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 0.00 0.00 0.00 0.00 118 A 8.39 4.45 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 0.00 119 G 8.34 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 0.00 120 L 8.04 4.46 0.00 1.92 1.91 1.01 1.01 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 0.00 121 W 7.13 5.58 0.00 3.39 3.31 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 0.00 122 S 9.48 5.46 0.00 3.89 4.09 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 0.00 123 S 9.78 4.81 0.00 3.15 3.38 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 0.00 124 A 8.34 4.52 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 0.00 125 D 8.57 4.60 0.00 2.82 2.40 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 0.00 126 L 8.34 4.70 0.00 1.54 1.52 0.79 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.44 5.09 4.04 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 0.81 0.00 0.00 128 Y 8.96 5.16 0.00 2.88 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 0.00 129 V 8.55 4.67 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.96 0.00 0.00 130 I 8.95 5.19 2.07 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 1.62 1.08 0.96 0.00 0.00 131 T 8.46 5.26 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 132 Y 7.74 5.03 0.00 3.17 3.16 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 0.00 133 E 8.90 4.55 0.00 2.03 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 2.48 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.