NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9730 8.3549 109.7372 45.5384 0.0000 172.5123 2 L 4.4892 7.9988 118.3899 50.7067 44.0876 175.8693 3 S 4.5068 8.6788 116.8835 57.9650 66.2088 174.7381 4 D 4.6778 8.6971 121.1773 57.3613 41.0139 178.4739 5 G 3.6179 8.0740 106.1070 47.6742 0.0000 175.4797 6 E 3.9287 7.9605 120.4525 59.0610 29.3942 179.5028 7 W 4.3221 8.2324 118.9895 59.8704 29.0604 178.6726 8 Q 4.1169 8.5541 118.2705 58.8401 28.0494 178.7566 9 Q 4.0486 8.0589 119.2455 59.0950 28.7351 179.1096 10 V 3.7571 7.9081 113.4858 64.5014 31.3726 178.7121 11 L 4.1689 8.2386 118.0292 57.5162 41.5235 178.7981 12 N 4.5283 8.4109 117.7449 56.6315 38.9540 177.4111 13 V 3.6222 8.1474 120.8159 64.5050 31.5531 178.1619 14 W 4.1061 8.7171 129.1893 59.9322 30.2382 178.1335 15 G 3.6573 7.7194 105.1062 47.4663 0.0000 175.5431 16 K 4.0135 7.9150 120.8823 59.1181 31.9685 179.6249 17 V 2.8281 6.9056 118.1616 65.6070 31.1930 177.7454 18 E 3.8821 7.4312 116.5944 58.5963 29.2529 178.7190 19 A 4.2941 7.2175 119.6960 54.1974 18.8507 177.2000 20 D 4.4822 7.8052 116.0014 52.6147 42.8817 175.4746 21 I 3.7904 8.0366 120.0067 63.2503 37.9123 177.9015 22 A 4.0553 7.9793 122.2874 54.8379 18.1015 179.5932 23 G 3.5697 8.3701 105.6019 47.6974 0.0000 175.7053 24 H 4.1595 8.1210 118.4808 58.3456 28.7429 178.1289 25 G 3.6008 8.4186 108.2226 47.8733 0.0000 175.7482 26 Q 3.9224 8.2654 120.7744 58.7372 28.5111 178.2235 27 E 3.8297 7.8363 121.2326 58.8488 29.6301 178.8314 28 V 3.5056 7.6807 118.2149 66.1093 31.5425 177.9429 29 L 3.3773 7.6886 118.4709 57.6395 41.2900 179.6385 30 I 3.6413 7.6025 119.6266 64.1793 37.0201 178.2474 31 R 3.8001 7.9936 119.6283 59.4404 29.9013 177.9966 32 L 3.9132 7.8329 119.8395 58.4924 41.6442 179.0134 33 F 4.5580 8.2963 117.9853 60.8083 38.6277 177.8658 34 T 4.1081 8.2759 109.2315 64.5996 68.8611 176.9163 35 G 3.6928 7.9832 107.7683 46.3395 0.0000 173.5916 36 H 4.7606 8.1048 117.6390 51.8033 29.5460 171.7507 37 P 4.5385 0.0000 0.0000 64.6130 31.6136 177.4750 38 E 4.0721 8.2916 116.1534 59.5349 29.3734 179.2174 39 T 3.9006 8.2294 111.4261 64.5024 68.7460 176.3004 40 L 3.5149 7.8140 123.2943 57.8927 41.7546 178.7747 41 E 3.9947 7.6784 116.5799 59.1058 29.4327 178.9684 42 K 4.4201 8.0978 117.0390 57.1432 32.8094 177.5653 43 F 4.4901 8.2063 119.4123 55.5258 39.0630 175.6840 44 D 4.4019 8.4860 124.4107 57.3742 40.8912 178.5386 45 E 4.0122 7.7992 116.5405 58.0046 29.7459 177.1749 46 F 5.0851 7.7400 115.3451 56.7565 40.3562 176.6955 47 K 4.0984 8.1914 119.9250 58.7050 32.3927 177.1536 48 H 4.5851 8.2093 114.1740 56.4966 29.4518 176.0538 49 L 4.4551 7.4767 122.9463 53.6828 39.7347 176.5524 50 K 4.1483 8.5559 119.5531 57.6228 33.1590 177.9993 51 T 4.6840 7.6201 109.1400 59.0011 72.7230 174.1838 52 E 3.8695 8.7099 122.0856 59.8308 29.3572 179.1614 53 A 3.9652 7.8986 118.4565 55.0685 18.7718 179.0338 54 E 4.0397 7.9694 117.3611 59.7445 29.4281 179.2092 55 M 3.9525 8.0058 118.7260 58.5049 31.8621 178.7867 56 K 3.8952 8.0981 118.0555 58.9601 32.2758 177.4839 57 A 4.6615 7.3458 118.6590 50.7139 19.0019 176.3703 58 S 4.6076 7.3744 115.5759 57.2310 63.8531 174.9760 59 E 4.1048 8.7370 128.1969 59.1205 29.2494 178.9595 60 D 4.4494 8.1141 119.1290 57.1509 40.9597 178.1844 61 L 3.2094 7.7384 120.4135 57.8389 42.1580 178.9232 62 K 3.8578 7.7830 119.1189 59.5643 32.0660 178.6311 63 E 4.0271 8.5050 119.1472 59.4619 29.3839 178.7121 64 H 4.3473 8.5609 118.5553 59.3203 29.9975 177.4633 65 G 3.6623 8.2516 107.5497 48.0772 0.0000 175.8250 66 T 3.8379 7.7493 117.5414 66.4202 68.5051 176.6394 67 V 3.5903 7.7072 120.1890 66.2456 31.4581 177.9126 68 V 3.6092 7.7571 117.4544 66.3898 31.3377 178.0816 69 L 4.2048 8.0130 118.4609 57.9148 41.5403 179.5075 70 T 3.9564 8.3268 113.2847 64.8839 67.3560 176.1338 71 A 3.9663 8.2170 122.8392 55.1353 18.4232 179.2949 72 L 3.7651 8.0811 118.9771 58.0857 42.0926 179.2179 73 G 3.1612 8.2481 105.8856 47.6623 0.0000 175.6601 74 G 3.6382 7.6244 106.8344 47.5837 0.0000 175.5070 75 I 3.8523 7.4433 121.9688 64.0697 37.1561 178.5511 76 L 3.9371 7.7564 119.9422 57.5772 41.1849 179.3377 77 K 4.0334 7.5409 116.4463 57.9283 32.3107 178.4770 78 K 3.9781 7.7663 118.5766 55.6340 32.7278 176.4142 79 K 2.0000 8.0651 118.2091 56.3940 29.7501 175.9517 80 G 3.9426 7.5753 106.0259 45.9260 0.0000 173.9593 81 H 4.6248 7.1603 119.0231 55.0588 27.2353 174.7480 82 H 5.4696 7.6516 111.8358 53.9237 29.8667 176.4005 83 E 3.9666 8.6043 120.9867 60.5111 28.8768 178.6331 84 A 4.0422 7.9481 119.9850 54.5028 17.1611 178.8320 85 E 4.1540 8.0642 116.6889 59.0922 29.8722 178.7493 86 L 4.2248 8.3257 120.8722 57.5727 42.0502 178.4575 87 K 3.7969 8.0601 120.0837 59.1685 31.9966 176.5761 88 P 4.2343 0.0000 0.0000 66.1332 30.9392 178.1491 89 L 4.0261 7.4809 117.7919 57.2118 41.4578 179.3030 90 A 4.1239 8.4380 121.0765 55.3522 18.2885 179.6114 91 Q 3.8591 8.3070 116.9312 59.1850 28.7450 179.4383 92 S 4.0008 8.4092 115.5573 61.8623 63.1060 176.2603 93 H 4.1227 8.7099 119.7958 57.9024 27.1548 177.6722 94 A 2.5800 7.9035 123.0653 54.4114 18.3089 179.4428 95 T 3.9288 7.5659 106.5290 62.8123 69.3100 175.4257 96 K 4.1515 7.4181 120.4447 58.3246 33.3389 176.9495 97 H 4.2765 7.8900 114.3627 56.2747 29.4588 175.6079 98 K 3.5518 6.7757 115.1494 57.2457 29.3587 175.9604 99 I 4.3432 7.7781 117.9850 58.8700 38.0012 174.9930 100 P 4.6539 0.0000 0.0000 62.1726 32.0133 177.7836 101 I 3.5807 8.4512 120.3217 64.0102 37.7688 178.1407 102 K 3.6935 7.8729 120.2149 59.6253 31.9503 178.1475 103 Y 4.2494 7.9188 116.7941 60.7444 37.7345 178.3609 104 L 4.2004 7.9116 120.4417 57.4480 41.7053 178.9852 105 E 3.9577 7.9020 118.9080 59.2985 29.7267 178.5038 106 F 4.5056 7.9153 117.8333 60.9883 39.0386 177.6391 107 I 3.8308 8.0991 118.0118 64.0493 37.6082 178.1059 108 S 4.2082 8.3387 116.2521 61.7783 62.7040 176.4195 109 D 4.4527 8.4272 121.3792 57.1467 40.4452 178.6033 110 A 4.0527 8.2618 121.4227 55.2131 18.3728 179.7020 111 I 3.6566 7.8775 118.2005 64.7085 37.1243 178.7292 112 I 3.8695 7.6461 120.6194 64.5445 36.8637 177.9252 113 H 4.1451 8.3914 119.0655 59.4965 29.7222 177.5509 114 V 3.5822 8.1409 120.1665 65.8792 31.2946 177.9502 115 L 3.8395 8.0253 118.9162 58.0838 41.1130 179.2204 116 H 4.4793 7.9270 114.9270 58.6746 28.6919 177.5285 117 S 4.2001 8.0143 114.7068 60.9496 62.3371 175.7170 118 K 4.1499 8.0228 119.6124 57.3300 33.5975 176.6760 119 H 4.9352 8.0705 115.7757 53.4505 29.1754 171.7632 120 P 4.6114 0.0000 0.0000 64.2690 31.8922 177.6185 121 G 4.0155 9.1758 111.6387 45.4263 0.0000 173.2830 122 D 4.6677 7.9464 117.4870 54.2498 41.5526 176.6880 123 F 4.9098 7.9411 122.0284 56.0014 38.7562 175.6590 124 G 3.7809 8.2398 113.2238 43.8899 0.0000 171.0773 125 A 3.9266 8.4465 122.9557 54.8942 18.3021 180.0592 126 D 4.1601 7.9135 116.9056 56.5936 39.7126 178.3629 127 A 4.0207 7.9274 122.2598 54.7783 18.3465 179.0997 128 Q 3.6564 8.2733 118.3249 59.0354 29.0174 178.7451 129 G 3.5587 7.9152 106.3835 47.8249 0.0000 175.4951 130 A 3.8541 7.8999 123.8356 54.8530 18.4421 179.3634 131 M 4.0206 8.3630 116.9518 59.0607 32.3467 178.4707 132 T 3.9144 8.1454 115.9387 66.6296 68.6031 176.5777 133 K 4.1260 8.1854 121.3122 58.8615 32.0942 179.1900 134 A 3.8678 7.8043 120.8494 55.2544 18.2959 179.7598 135 L 4.0995 8.1275 117.4453 57.8063 41.3934 179.6015 136 E 4.0086 8.3951 118.7897 59.1139 29.3444 178.9165 137 L 4.0285 8.1485 120.5071 58.2223 42.3207 178.4379 138 F 4.0705 8.2896 120.4123 61.5835 39.2765 176.9557 139 R 3.5935 8.2436 117.8634 59.4343 29.9618 178.0129 140 N 4.2490 8.6505 117.0036 56.8700 38.7631 176.6668 141 D 4.3799 8.4626 120.6600 57.2126 40.7583 178.9065 142 I 3.5670 7.3872 119.9504 63.9762 36.9470 178.0684 143 A 3.7270 8.1975 121.8394 55.0760 18.2912 179.3435 144 A 3.9403 7.8162 118.9336 55.5605 18.4396 180.1266 145 K 4.0587 7.7751 116.6480 59.5831 32.0476 179.2640 146 Y 4.2070 8.3616 117.3915 60.9373 37.8218 178.4870 147 K 3.9265 8.4813 120.8022 59.5118 32.0954 178.0835 148 E 3.9434 7.7898 117.6827 59.5530 29.6593 178.4652 149 L 4.2767 7.8537 115.5355 54.6426 41.8806 177.2133 150 G 3.8589 7.8591 106.9881 46.6166 0.0000 174.8636 151 F 4.4926 8.2279 124.0022 55.9370 37.8949 174.8277 152 Q 3.9416 8.0291 126.6328 58.0455 29.3146 177.5112 153 G 3.5058 7.1639 109.1092 45.4228 0.0000 172.5129 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 G 8.35 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 2 L 8.00 4.49 0.00 0.38 0.67 0.46 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.68 4.51 0.00 4.07 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 4 D 8.70 4.68 0.00 2.90 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 5 G 8.07 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 6 E 7.96 3.93 0.00 2.06 1.73 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 2.23 2.27 0.00 7 W 8.23 4.32 0.00 3.55 3.19 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 0.00 0.00 0.00 0.00 8 Q 8.55 4.12 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 9 Q 8.06 4.05 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 10 V 7.91 3.76 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 0.79 0.00 0.00 1.20 0.00 0.00 11 L 8.24 4.17 0.00 1.71 1.82 0.92 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.41 4.53 0.00 2.96 2.99 0.00 0.00 6.84 7.29 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 13 V 8.15 3.62 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 0.94 0.00 0.00 0.77 0.00 0.00 14 W 8.72 4.11 0.00 3.59 3.29 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 15 G 7.72 3.66 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 0.00 0.00 0.00 16 K 7.91 4.01 0.00 1.66 1.52 0.00 1.41 0.00 0.00 1.24 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.32 7.81 17 V 6.91 2.83 0.67 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 0.14 0.00 0.00 0.24 0.00 0.00 18 E 7.43 3.88 0.00 2.02 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 2.30 2.11 0.00 19 A 7.22 4.29 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 20 D 7.81 4.48 0.00 2.67 2.50 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 0.00 0.00 0.00 0.00 21 I 8.04 3.79 1.80 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 1.58 0.88 0.88 0.00 0.00 22 A 7.98 4.06 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 23 G 8.37 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.12 4.16 0.00 3.13 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.42 3.60 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 0.00 0.00 0.00 26 Q 8.27 3.92 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 27 E 7.84 3.83 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 28 V 7.68 3.51 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 1.02 0.00 0.00 0.94 0.00 0.00 29 L 7.69 3.38 0.00 1.58 1.05 0.76 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.60 3.64 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.78 0.88 0.00 0.00 31 R 7.99 3.80 0.00 2.01 2.15 0.00 3.07 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 32 L 7.83 3.91 0.00 1.74 1.41 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.30 4.56 0.00 3.10 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 34 T 8.28 4.11 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 1.23 0.00 0.00 35 G 7.98 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 0.00 0.00 0.00 36 H 8.10 4.76 0.00 3.12 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.54 0.00 2.15 2.11 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 38 E 8.29 4.07 0.00 2.29 2.31 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 2.28 2.56 0.00 39 T 8.23 3.90 4.42 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 0.63 0.00 0.00 40 L 7.81 3.51 0.00 1.31 1.72 -0.13 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.68 3.99 0.00 2.31 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 0.00 2.38 2.55 0.00 42 K 8.10 4.42 0.00 1.92 1.74 0.00 1.93 0.00 0.00 1.79 0.00 0.00 3.23 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.72 1.93 7.81 43 F 8.21 4.49 0.00 3.24 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 44 D 8.49 4.40 0.00 2.58 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 45 E 7.80 4.01 0.00 1.16 1.21 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 2.11 2.25 0.00 46 F 7.74 5.09 0.00 2.96 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 47 K 8.19 4.10 0.00 1.87 2.22 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.46 7.81 48 H 8.21 4.59 0.00 3.31 3.46 0.00 5.51 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 49 L 7.48 4.46 0.00 1.63 1.58 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.56 4.15 0.00 1.76 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 51 T 7.62 4.68 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 52 E 8.71 3.87 0.00 2.04 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 2.38 0.00 53 A 7.90 3.97 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 54 E 7.97 4.04 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 2.32 2.33 0.00 55 M 8.01 3.95 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 56 K 8.10 3.90 0.00 1.82 1.89 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 57 A 7.35 4.66 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 58 S 7.37 4.61 0.00 3.79 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 59 E 8.74 4.10 0.00 2.04 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 0.00 2.41 2.35 0.00 60 D 8.11 4.45 0.00 2.92 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 61 L 7.74 3.21 0.00 1.19 1.57 0.69 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.78 3.86 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 63 E 8.51 4.03 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 2.36 2.49 0.00 64 H 8.56 4.35 0.00 3.61 3.49 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.25 3.66 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 0.00 0.00 0.00 66 T 7.75 3.84 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 1.23 0.00 0.00 67 V 7.71 3.59 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 1.04 0.00 0.00 1.02 0.00 0.00 68 V 7.76 3.61 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 1.02 0.00 0.00 0.99 0.00 0.00 69 L 8.01 4.20 0.00 1.83 1.88 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.33 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 1.42 0.00 0.00 71 A 8.22 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 72 L 8.08 3.77 0.00 1.60 1.72 0.15 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.25 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 0.00 0.00 0.00 74 G 7.62 3.64 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 0.00 0.00 0.00 75 I 7.44 3.85 1.93 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 1.54 0.50 0.98 0.00 0.00 76 L 7.76 3.94 0.00 1.31 1.50 0.18 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.54 4.03 0.00 1.63 1.77 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.43 7.81 78 K 7.77 3.98 0.00 1.78 1.79 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.57 7.81 79 K 8.07 2.00 0.00 1.21 0.74 0.00 1.32 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.58 1.04 7.81 80 G 7.58 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.16 4.62 0.00 3.09 3.20 0.00 5.60 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.65 5.47 0.00 3.26 3.41 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.60 3.97 0.00 2.20 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 2.38 2.35 0.00 84 A 7.95 4.04 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 85 E 8.06 4.15 0.00 2.21 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 0.00 2.38 2.42 0.00 86 L 8.33 4.22 0.00 1.78 1.69 0.61 0.38 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 87 K 8.06 3.80 0.00 2.13 1.81 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.52 7.81 88 P 0.00 4.23 0.00 2.32 2.32 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.09 0.00 89 L 7.48 4.03 0.00 2.03 1.76 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.44 4.12 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 91 Q 8.31 3.86 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 92 S 8.41 4.00 0.00 3.94 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 93 H 8.71 4.12 0.00 3.50 3.57 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.90 2.58 0.29 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 95 T 7.57 3.93 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 1.04 0.00 0.00 96 K 7.42 4.15 0.00 1.51 1.56 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 1.31 7.81 97 H 7.89 4.28 0.00 3.05 3.17 0.00 5.86 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 98 K 6.78 3.55 0.00 1.89 2.00 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.53 7.81 99 I 7.78 4.34 2.10 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 1.37 0.97 1.19 0.00 0.00 100 P 0.00 4.65 0.00 1.75 1.81 0.00 2.55 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 1.22 1.78 0.00 101 I 8.45 3.58 1.70 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 0.84 0.00 0.00 102 K 7.87 3.69 0.00 1.69 1.57 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.13 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.61 0.91 7.81 103 Y 7.92 4.25 0.00 3.18 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.91 4.20 0.00 1.88 1.78 0.73 0.94 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 0.00 105 E 7.90 3.96 0.00 1.97 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 2.47 2.44 0.00 106 F 7.92 4.51 0.00 3.26 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 0.00 107 I 8.10 3.83 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.38 1.10 0.00 0.00 108 S 8.34 4.21 0.00 4.15 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 0.00 109 D 8.43 4.45 0.00 2.98 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 0.00 110 A 8.26 4.05 1.41 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 0.00 111 I 7.88 3.66 2.09 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 1.56 0.76 0.97 0.00 0.00 112 I 7.65 3.87 2.14 0.00 0.00 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 1.72 1.80 1.16 0.00 0.00 113 H 8.39 4.15 0.00 3.33 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.14 3.58 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 1.02 0.00 0.00 115 L 8.03 3.84 0.00 1.24 0.53 0.44 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.93 4.48 0.00 3.30 3.39 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.01 4.20 0.00 3.77 3.96 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 0.00 118 K 8.02 4.15 0.00 1.67 1.48 0.00 1.69 0.00 0.00 1.41 0.00 0.00 2.40 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.27 1.34 7.81 119 H 8.07 4.94 0.00 3.22 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.61 0.00 2.19 2.10 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 121 G 9.18 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 0.00 122 D 7.95 4.67 0.00 2.93 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 0.00 123 F 7.94 4.91 0.00 2.72 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 0.00 124 G 8.24 3.78 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 0.00 0.00 0.00 125 A 8.45 3.93 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 0.00 126 D 7.91 4.16 0.00 2.86 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 0.00 127 A 7.93 4.02 1.58 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 0.00 0.00 128 Q 8.27 3.66 0.00 1.24 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 129 G 7.92 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 0.00 130 A 7.90 3.85 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.36 4.02 0.00 2.40 2.29 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.76 0.00 132 T 8.15 3.91 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 1.23 0.00 0.00 133 K 8.19 4.13 0.00 1.81 1.70 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.48 7.81 134 A 7.80 3.87 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 0.00 135 L 8.13 4.10 0.00 1.90 1.80 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.40 4.01 0.00 2.17 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 2.35 2.56 0.00 137 L 8.15 4.03 0.00 1.94 1.99 1.22 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.29 4.07 0.00 3.13 3.33 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 0.00 139 R 8.24 3.59 0.00 2.19 2.07 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 140 N 8.65 4.25 0.00 2.90 2.78 0.00 0.00 7.28 8.40 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 0.00 141 D 8.46 4.38 0.00 2.68 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 0.00 142 I 7.39 3.57 1.48 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 1.13 0.13 0.41 0.00 0.00 143 A 8.20 3.73 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.82 3.94 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 0.00 145 K 7.78 4.06 0.00 1.99 1.93 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.64 7.81 146 Y 8.36 4.21 0.00 3.09 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 0.00 147 K 8.48 3.93 0.00 1.85 2.02 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.79 3.94 0.00 2.20 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 2.34 2.38 0.00 149 L 7.85 4.28 0.00 1.80 1.65 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.86 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 0.00 151 F 8.23 4.49 0.00 2.74 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 0.00 152 Q 8.03 3.94 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 153 G 7.16 3.51 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 0.00 0.00 0.00