NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3920 8.1233 123.5896 51.4819 20.2578 177.4021 2 L 3.9415 8.6228 119.5724 58.0774 40.9346 178.6759 3 R 3.9298 8.7765 118.8123 59.1092 30.1966 178.4593 4 D 4.3719 7.6811 118.3603 57.4306 41.2077 178.6322 5 R 4.1319 7.8994 118.1097 59.0598 29.9995 179.0322 6 V 3.1871 7.8628 118.0781 65.3494 31.1674 178.0417 7 K 3.9858 7.4380 118.1081 59.0210 32.0963 178.3817 8 K 4.2675 7.6619 117.2453 56.4542 32.0698 176.6034 9 L 4.1922 6.7677 120.3846 55.6465 42.3429 176.4177 10 K 4.6034 9.2895 124.0898 56.0982 35.8193 175.9233 11 L 5.0253 7.8123 121.3950 53.0659 45.7492 174.6179 12 L 5.1558 8.9151 128.2506 53.5528 44.7047 175.9476 13 I 4.7384 8.4494 127.3403 59.4009 39.3505 176.2919 *15 D 4.3455 8.5443 121.3607 52.9493 42.3067 175.6868 16 I 3.3774 7.5377 122.0331 62.2107 35.5357 172.8139 17 D 4.4770 7.7587 125.4571 56.0992 40.5687 177.1061 18 G 4.4114 8.9891 112.5975 45.4349 0.0000 172.9998 19 V 4.1165 7.5852 116.6335 64.3119 33.3173 176.9583 20 L 4.4988 7.9068 116.7052 55.4633 42.2259 176.9529 21 T 4.7547 7.4179 115.0384 61.8540 72.3446 174.0070 22 D 4.5755 8.7362 122.7903 53.7782 40.1999 177.1274 23 G 4.0149 8.2317 108.2790 45.3306 0.0000 174.1316 24 K 3.9102 7.8538 119.6861 56.2622 32.2985 175.7817 25 L 4.7549 8.3492 126.0428 53.5836 44.0112 174.7281 26 Y 4.8015 8.8421 124.3443 56.6464 39.7224 174.2255 27 Y 5.0522 8.1378 121.4919 55.9470 41.4133 175.3395 *33 T 4.4275 8.4799 117.7188 64.0779 68.4933 173.2073 34 I 4.4606 8.4068 120.1014 60.0708 38.0657 176.6195 35 K 4.3263 7.9867 119.4315 57.8243 33.2809 175.9577 36 V 4.2663 7.5307 112.2584 61.3778 35.2832 171.2337 *37 F 4.8455 8.1718 118.6967 55.8817 40.8213 173.6948 38 N 4.7548 8.4631 119.0051 53.2725 39.9871 176.3666 39 V 4.1554 8.2006 124.2872 63.8205 32.0786 178.3540 40 L 3.9709 8.0998 119.8709 58.1141 41.5542 179.2622 41 D 4.4747 8.3339 118.2152 57.1879 40.8291 178.8328 42 G 3.6523 7.6139 104.6488 47.9311 0.0000 175.8314 43 I 3.9622 7.8168 122.1113 63.7862 37.1383 178.6325 44 G 3.6761 8.4648 107.1705 47.8149 0.0000 175.8440 45 I 3.7075 8.0049 122.2452 64.0169 37.1255 178.4733 46 K 3.8935 7.9116 119.2323 59.6264 31.7227 179.0359 47 L 3.9568 7.7215 118.8952 58.1578 42.2436 178.7598 48 L 4.1591 7.9754 118.9831 57.8785 41.3968 179.4551 49 Q 4.0811 7.9774 117.0269 58.2475 28.9598 177.9252 50 K 4.3613 8.0922 121.2829 56.3098 32.4348 177.3938 *52 G 3.8235 7.8454 103.2723 44.9244 0.0000 172.5716 53 I 4.5003 7.6054 120.8065 59.8009 38.3438 176.0625 54 T 4.1491 8.7042 124.4873 63.3917 69.6864 173.5109 55 L 5.1935 8.6737 124.5378 53.0029 44.5436 175.4608 56 A 5.1281 8.8095 123.8597 50.2867 23.5537 175.1603 57 V 4.3376 8.6846 117.9634 60.4783 34.9820 174.3351 58 I 5.0235 8.5487 125.5219 59.4463 38.2214 173.9048 59 S 4.6747 9.1777 122.0289 56.5898 63.8807 174.9561 60 G 3.6679 8.7792 113.4726 48.9165 0.0000 173.6999 61 R 4.4519 7.3448 118.5415 55.3948 30.7820 176.3025 62 D 4.7818 8.4289 125.9233 53.2046 40.8684 176.4680 63 S 4.7509 7.5089 125.7390 57.4599 61.1007 176.3099 *66 L 4.2485 8.5503 121.7029 54.2841 43.1152 177.6488 67 I 3.9945 7.5582 118.8678 64.8014 36.9506 178.0563 68 T 3.8710 7.8497 116.7843 66.5576 68.3087 176.3122 69 R 4.0777 7.9350 120.1494 59.2635 30.0610 178.5119 70 L 3.9277 7.4605 119.1430 57.7269 41.8550 179.1663 71 K 3.8248 8.5188 118.8088 59.8839 31.8611 178.8426 72 E 3.9694 8.3395 117.9799 59.0643 29.6245 178.1679 73 L 4.3420 7.6838 117.0744 55.1003 41.9418 177.6090 74 G 4.0781 7.5664 107.4038 45.1892 0.0000 173.8299 75 V 3.6575 7.7294 119.9012 62.5883 31.2383 174.9563 76 E 4.2166 8.0740 128.5136 58.3339 29.1457 176.1841 77 E 4.3434 8.2580 117.4123 56.3095 31.5320 175.7833 78 I 4.9150 8.1326 124.5076 59.7773 40.5236 174.2718 79 Y 4.8793 9.4447 125.6560 56.2919 40.7677 175.1011 80 T 5.0484 7.9984 113.1237 59.8207 72.1606 174.2058 81 G 3.8080 8.8756 111.0421 46.0269 0.0000 173.6209 *85 K 4.0276 7.6018 119.2156 55.7604 34.4002 176.1735 86 L 4.0690 8.2662 126.7284 58.1484 41.9847 179.1378 87 E 3.9986 8.0696 116.2928 59.4514 29.7412 178.8131 88 I 3.5545 7.6020 120.2871 64.1076 36.7292 177.3974 89 Y 4.1677 7.9965 120.3375 61.0383 38.4444 178.2684 90 E 3.7808 8.3328 119.1302 58.9582 29.4522 179.5186 91 K 3.9707 7.6065 118.9440 59.4941 32.0936 179.4512 92 I 3.9411 7.5384 119.6544 64.1624 37.1692 178.1546 93 K 3.8421 7.7639 120.6059 59.4272 31.8021 178.4373 94 E 3.9847 7.9847 119.4131 58.7083 29.3873 178.3794 95 K 3.7619 7.8698 119.3737 59.2955 32.2524 176.8184 96 Y 4.3253 8.0018 112.8963 57.0308 38.7393 175.5027 97 S 3.7262 7.4191 115.6121 59.9877 60.7850 171.6425 98 L 4.9901 7.9308 117.9853 52.7711 45.4417 177.4365 99 K 4.4396 9.1774 120.8850 55.3104 33.6556 177.8756 100 D 4.7232 9.2079 119.9238 56.9450 40.7647 179.5835 101 E 4.0787 8.2553 114.8570 58.8324 29.7219 177.2484 102 E 4.6327 8.1265 116.6982 55.6791 30.3388 175.1660 103 I 5.0869 7.8333 120.8250 59.4560 40.2749 174.9302 104 G 4.7365 9.4229 112.1975 44.7380 0.0000 172.0168 105 F 4.9614 8.9257 122.7331 56.9760 42.6783 172.8624 106 I 4.7116 8.3940 128.6200 59.9352 38.5515 174.8415 107 G 4.6823 9.5236 116.5077 44.8416 0.0000 172.5022 108 D 4.9120 8.9766 113.3783 53.1020 42.1134 174.2874 109 D 5.2704 7.8304 119.8565 52.2606 43.6821 177.1799 110 V 3.6891 8.1908 124.4083 64.6474 31.2438 178.4030 111 V 3.6778 7.4611 116.5714 64.9730 31.8340 177.0600 112 D 4.2282 7.9869 118.3317 56.6350 40.4581 178.2696 113 I 3.6485 7.0134 120.2649 64.6688 36.2959 177.7965 114 E 4.0543 7.8983 118.5641 58.9201 29.4968 179.2569 115 V 3.5022 6.9024 117.3898 62.7287 30.8666 177.7848 *117 K 4.2398 8.0830 119.1625 55.7493 34.0427 177.7159 118 K 4.1202 7.2369 117.8232 58.9822 32.3058 178.2493 119 V 4.1475 7.1703 110.0514 61.1721 31.9721 176.6791 120 G 3.8336 8.6419 110.3472 47.5668 0.0000 173.8918 121 F 5.2476 8.1376 122.0398 55.9385 38.8215 172.0127 122 P 4.9893 0.0000 0.0000 62.3142 33.3535 176.7529 123 V 4.8135 9.1282 124.1220 60.8236 34.4735 173.8945 124 A 5.4696 8.3453 128.3576 49.2437 21.9632 176.4652 125 V 4.5295 8.1460 113.6116 60.3639 32.8829 177.5480 126 R 3.7715 8.3525 122.6295 59.3604 29.8822 177.2754 127 N 4.7594 7.9263 111.6017 52.3204 37.5976 174.7645 128 A 4.1765 7.3995 121.8932 52.0546 19.2272 179.2930 129 V 3.7456 8.1091 120.1358 61.5946 33.3488 176.8309 130 E 3.8488 8.8327 121.7927 59.6715 29.1757 178.5789 131 E 3.8654 8.2337 117.5472 59.6752 29.6396 178.7993 132 V 3.7105 7.6533 117.2667 66.0567 31.5727 178.1133 133 R 3.9511 8.0661 117.9639 58.5428 29.6462 178.3320 134 K 4.1931 7.9465 115.8834 57.6180 33.1510 177.5619 135 V 3.8887 7.3465 118.3324 63.2748 31.9962 175.5741 136 A 4.4996 7.1884 122.6085 51.9474 19.3105 177.7744 137 V 3.9760 8.4094 121.6920 63.7794 32.8159 176.0767 138 Y 4.7945 7.6966 121.8849 55.6819 42.0857 173.7742 139 I 4.8171 7.6401 127.1614 59.4475 39.2592 175.7814 140 T 4.0447 8.3827 117.6029 61.5600 69.6524 175.4625 141 Q 4.0306 9.6097 124.1396 58.0178 29.7886 176.6319 142 R 4.3991 8.1539 116.8904 55.3595 31.0441 176.9624 143 N 4.4128 8.4449 117.7848 53.9304 38.9594 174.3405 144 G 3.8298 7.2994 109.2351 48.9188 0.0000 172.3267 145 G 4.1204 8.5456 113.5719 45.5717 0.0000 173.8295 146 E 4.2067 7.7829 116.1513 56.2761 30.2317 176.4262 147 G 4.6514 8.2689 109.2239 45.3438 0.0000 176.3422 148 A 4.0193 8.5239 123.5125 54.8474 18.5488 179.4259 149 L 3.9144 8.0417 118.3644 58.1062 42.1672 179.0695 150 R 3.8783 8.1040 118.3452 59.2540 30.1645 177.7265 151 E 3.9274 8.0058 118.6861 59.3717 29.5244 178.8732 152 V 3.6310 8.1716 118.0489 66.2510 31.8070 177.8849 153 A 3.9823 8.1479 120.2419 54.8898 18.2566 178.8374 154 E 4.1262 8.2598 117.5395 58.3653 29.8106 178.3915 155 L 3.9696 7.9687 120.7924 58.0321 41.9372 178.7636 156 I 3.5549 7.7860 119.0144 64.6569 37.1060 177.5966 157 H 4.2442 7.9299 117.4559 59.1349 29.8048 176.7908 158 F 4.2131 7.9716 120.9317 61.2472 39.3952 175.2952 159 L 4.2694 8.0050 121.6590 55.0084 41.5958 176.7348 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 A 8.12 4.39 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.62 3.94 0.00 1.84 1.82 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.78 3.93 0.00 1.85 1.96 0.00 3.14 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 4 D 7.68 4.37 0.00 2.61 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 5 R 7.90 4.13 0.00 2.10 2.27 0.00 3.30 0.00 0.00 3.78 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.94 0.00 6 V 7.86 3.19 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 0.79 0.00 0.00 0.41 0.00 0.00 7 K 7.44 3.99 0.00 1.89 2.06 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.49 7.81 8 K 7.66 4.27 0.00 2.07 1.84 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.61 7.81 9 L 6.77 4.19 0.00 1.63 1.59 1.07 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 10 K 9.29 4.60 0.00 1.67 1.75 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.54 7.81 11 L 7.81 5.03 0.00 1.56 1.42 0.29 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.92 5.16 0.00 1.81 1.48 1.06 0.96 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 13 I 8.45 4.74 1.60 0.00 0.00 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 1.30 1.65 0.81 0.00 0.00 *15 D 8.54 4.35 0.00 2.70 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.54 3.38 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 1.42 0.53 0.92 0.00 0.00 17 D 7.76 4.48 0.00 2.69 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 18 G 8.99 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 4.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 20 L 7.91 4.50 0.00 1.81 1.70 0.92 1.10 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 21 T 7.42 4.75 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 22 D 8.74 4.58 0.00 2.80 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 23 G 8.23 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 0.00 0.00 0.00 24 K 7.85 3.91 0.00 2.06 1.35 0.00 1.96 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.34 7.81 25 L 8.35 4.75 0.00 1.65 1.61 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.84 4.80 0.00 3.02 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 27 Y 8.14 5.05 0.00 2.97 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 *33 T 8.48 4.43 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 1.30 0.00 0.00 34 I 8.41 4.46 1.87 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 1.41 0.61 0.94 0.00 0.00 35 K 7.99 4.33 0.00 2.12 2.17 0.00 1.50 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.59 7.81 36 V 7.53 4.27 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 0.63 0.00 0.00 0.90 0.00 0.00 *37 F 8.17 4.85 0.00 2.48 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 0.00 0.00 0.00 38 N 8.46 4.75 0.00 2.82 2.67 0.00 0.00 6.63 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 39 V 8.20 4.16 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 0.78 0.00 0.00 0.93 0.00 0.00 40 L 8.10 3.97 0.00 1.89 1.78 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.33 4.47 0.00 2.69 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 42 G 7.61 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 43 I 7.82 3.96 1.97 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 1.45 0.69 0.91 0.00 0.00 44 G 8.46 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.00 3.71 2.02 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 0.91 0.00 0.00 46 K 7.91 3.89 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.63 7.81 47 L 7.72 3.96 0.00 1.76 1.87 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.98 4.16 0.00 1.89 1.69 0.94 0.93 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 49 Q 7.98 4.08 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.67 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 50 K 8.09 4.36 0.00 1.82 1.80 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.45 7.81 *52 G 7.85 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 0.00 0.00 0.00 53 I 7.61 4.50 1.97 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 1.19 0.61 0.89 0.00 0.00 54 T 8.70 4.15 3.93 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 0.89 0.00 0.00 55 L 8.67 5.19 0.00 1.56 1.52 0.91 0.82 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 56 A 8.81 5.13 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 57 V 8.68 4.34 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 0.93 0.00 0.00 0.95 0.00 0.00 58 I 8.55 5.02 2.07 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 1.02 0.00 0.00 59 S 9.18 4.67 0.00 3.92 3.75 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 60 G 8.78 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 61 R 7.34 4.45 0.00 2.06 1.85 0.00 3.26 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 62 D 8.43 4.78 0.00 2.67 2.59 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 63 S 7.51 4.75 0.00 4.02 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 *66 L 8.55 4.25 0.00 1.74 1.73 0.94 0.96 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 67 I 7.56 3.99 1.87 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 1.64 0.61 0.91 0.00 0.00 68 T 7.85 3.87 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 69 R 7.94 4.08 0.00 1.88 1.93 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 70 L 7.46 3.93 0.00 2.18 1.69 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.52 3.82 0.00 1.87 1.88 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.59 1.61 7.81 72 E 8.34 3.97 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 73 L 7.68 4.34 0.00 1.80 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.57 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.73 3.66 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 0.80 0.00 0.00 0.93 0.00 0.00 76 E 8.07 4.22 0.00 2.13 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 2.38 2.37 0.00 77 E 8.26 4.34 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.75 0.00 78 I 8.13 4.92 1.80 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 1.34 0.59 0.90 0.00 0.00 79 Y 9.44 4.88 0.00 2.97 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 80 T 8.00 5.05 4.36 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 1.24 0.00 0.00 81 G 8.88 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 *85 K 7.60 4.03 0.00 1.88 1.73 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.50 7.81 86 L 8.27 4.07 0.00 1.78 1.65 0.99 0.89 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 87 E 8.07 4.00 0.00 2.15 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 0.00 2.28 2.39 0.00 88 I 7.60 3.55 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 1.40 0.84 0.19 0.00 0.00 89 Y 8.00 4.17 0.00 3.00 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 90 E 8.33 3.78 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 2.56 2.52 0.00 91 K 7.61 3.97 0.00 1.94 1.88 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.35 7.81 92 I 7.54 3.94 2.00 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 1.78 0.74 1.00 0.00 0.00 93 K 7.76 3.84 0.00 1.45 1.70 0.00 1.65 0.00 0.00 1.11 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.40 7.81 94 E 7.98 3.98 0.00 2.13 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 95 K 7.87 3.76 0.00 1.87 1.95 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.86 1.23 7.81 96 Y 8.00 4.33 0.00 3.03 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 97 S 7.42 3.73 0.00 3.96 3.89 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 98 L 7.93 4.99 0.00 1.64 1.57 0.93 0.72 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 99 K 9.18 4.44 0.00 1.79 1.76 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.42 7.81 100 D 9.21 4.72 0.00 2.81 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 0.00 101 E 8.26 4.08 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 102 E 8.13 4.63 0.00 2.24 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 2.42 2.25 0.00 103 I 7.83 5.09 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.24 1.18 0.00 0.00 104 G 9.42 4.74 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 0.00 0.00 0.00 105 F 8.93 4.96 0.00 3.08 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 0.00 106 I 8.39 4.71 1.87 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 1.14 0.99 0.87 0.00 0.00 107 G 9.52 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.98 4.91 0.00 2.83 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 0.00 109 D 7.83 5.27 0.00 2.78 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 0.00 110 V 8.19 3.69 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 0.79 0.00 0.00 0.90 0.00 0.00 111 V 7.46 3.68 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 112 D 7.99 4.23 0.00 2.99 2.38 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 0.00 113 I 7.01 3.65 1.92 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 1.45 0.39 0.84 0.00 0.00 114 E 7.90 4.05 0.00 1.86 1.90 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 2.32 2.25 0.00 115 V 6.90 3.50 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 0.07 0.00 0.00 0.68 0.00 0.00 *117 K 8.08 4.24 0.00 1.87 1.84 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.57 7.81 118 K 7.24 4.12 0.00 1.85 1.86 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.44 7.81 119 V 7.17 4.15 2.34 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 0.59 0.00 0.00 1.05 0.00 0.00 120 G 8.64 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 0.00 0.00 0.00 121 F 8.14 5.25 0.00 3.10 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 0.00 122 P 0.00 4.99 0.00 2.10 2.13 0.00 3.69 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 2.16 1.93 0.00 123 V 9.13 4.81 2.02 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 1.00 0.00 0.00 0.41 0.00 0.00 124 A 8.35 5.47 1.17 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 0.00 125 V 8.15 4.53 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 0.80 0.00 0.00 1.04 0.00 0.00 126 R 8.35 3.77 0.00 1.97 2.14 0.00 3.25 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 127 N 7.93 4.76 0.00 2.83 2.96 0.00 0.00 5.97 7.26 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 0.00 128 A 7.40 4.18 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 0.00 129 V 8.11 3.75 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 0.79 0.00 0.00 0.92 0.00 0.00 130 E 8.83 3.85 0.00 2.07 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 2.36 2.43 0.00 131 E 8.23 3.87 0.00 1.95 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 2.28 2.43 0.00 132 V 7.65 3.71 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 1.00 0.00 0.00 0.94 0.00 0.00 133 R 8.07 3.95 0.00 2.00 1.92 0.00 3.11 0.00 0.00 3.44 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 134 K 7.95 4.19 0.00 1.85 1.90 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.34 7.81 135 V 7.35 3.89 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.88 0.00 0.00 136 A 7.19 4.50 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 0.00 137 V 8.41 3.98 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 0.68 0.00 0.00 1.04 0.00 0.00 138 Y 7.70 4.79 0.00 3.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.64 4.82 1.64 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 1.28 0.61 0.77 0.00 0.00 140 T 8.38 4.04 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 1.30 0.00 0.00 141 Q 9.61 4.03 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 142 R 8.15 4.40 0.00 2.04 1.83 0.00 3.19 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 143 N 8.44 4.41 0.00 2.69 2.86 0.00 0.00 7.14 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 0.00 144 G 7.30 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 0.00 0.00 0.00 145 G 8.55 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 0.00 146 E 7.78 4.21 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 147 G 8.27 4.65 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 0.00 148 A 8.52 4.02 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 0.00 149 L 8.04 3.91 0.00 1.70 1.86 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.10 3.88 0.00 2.10 2.11 0.00 3.30 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 151 E 8.01 3.93 0.00 2.14 2.23 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 2.53 2.45 0.00 152 V 8.17 3.63 2.30 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 1.25 0.00 0.00 1.09 0.00 0.00 153 A 8.15 3.98 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 0.00 0.00 154 E 8.26 4.13 0.00 2.37 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 2.29 2.30 0.00 155 L 7.97 3.97 0.00 1.82 1.72 0.75 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 156 I 7.79 3.55 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.62 0.81 0.00 0.00 157 H 7.93 4.24 0.00 3.25 3.38 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 F 7.97 4.21 0.00 3.21 3.22 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 0.00 159 L 8.01 4.27 0.00 1.79 1.52 1.15 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.