NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3588 8.1233 123.5836 51.7559 20.3164 177.8219 6 L 3.8590 8.3093 119.2303 57.0203 41.7205 177.9212 7 R 3.8987 8.1869 118.4328 59.6028 30.3284 177.6720 8 E 4.0627 8.1291 118.3715 59.0082 29.7427 178.5163 9 Q 4.0136 8.0458 118.1759 58.7729 28.7535 178.3438 10 L 4.0202 8.1368 121.4326 58.2092 42.0436 178.7978 11 N 4.3883 8.0747 115.8490 56.2349 38.4855 177.2556 12 A 4.0471 7.8035 121.9211 54.8311 18.5985 179.4541 13 L 3.9352 8.1255 118.9682 58.0924 42.1288 179.2015 14 L 4.0540 8.0128 118.9747 57.9943 41.7110 179.2175 15 S 4.2383 8.3485 113.1572 61.6565 62.1721 176.3069 16 S 4.0973 8.2109 115.5559 61.5718 61.7791 175.7430 17 M 3.8394 8.0525 121.4270 58.6128 31.6948 178.8771 18 F 4.2248 8.2453 117.3850 60.4674 38.8696 177.7150 19 A 4.1052 8.0270 119.3727 55.1799 18.3483 179.2202 20 S 4.3729 8.2732 110.7496 58.6111 62.9242 175.3312 21 G 3.9340 7.8463 109.7320 45.8628 0.0000 174.9438 22 L 3.9588 7.4975 120.4112 56.8012 41.7644 177.7483 23 V 5.3407 7.3512 108.6496 58.3069 35.4705 175.0170 24 D 5.2873 8.0310 122.1480 52.1515 41.4431 176.0468 25 E 4.1911 8.8879 116.1555 59.4833 29.7077 179.4749 26 Q 4.0323 8.1328 120.2856 59.1164 29.1051 177.9749 27 F 4.2236 8.2556 121.2826 61.3508 39.4587 176.9082 28 Q 4.0606 8.3182 118.7965 59.3703 28.9760 178.0800 29 Q 4.0368 8.6516 119.5609 58.6892 28.6056 178.6013 30 L 4.0096 7.9346 120.1988 57.9728 41.5284 179.5579 31 Q 3.8582 7.7995 117.8583 59.0614 28.5040 178.9032 32 M 4.0276 7.9641 119.8624 58.2294 31.8027 178.3587 33 L 3.8873 8.2013 119.7782 58.0650 41.9135 178.4284 34 Q 4.1541 8.2136 119.6390 59.5037 28.7821 178.4996 35 E 4.0138 7.6940 117.7652 59.5201 29.6554 178.8473 36 D 4.6183 8.3007 117.1373 55.7874 40.7340 177.7103 37 G 4.0190 7.8162 104.3051 43.1393 0.0000 173.8709 38 G 3.9678 8.0093 107.5002 46.3613 0.0000 173.7212 39 T 4.4333 7.2797 114.5228 60.2485 69.6304 172.2728 40 P 4.2647 0.0000 0.0000 63.9092 32.0639 177.4537 41 G 3.9830 8.9441 109.3811 45.8708 0.0000 175.1167 42 F 4.0442 8.3747 122.2502 61.0815 39.4826 176.9560 43 V 3.4144 8.1328 117.6978 66.0349 31.3370 177.7290 44 A 3.9012 7.9372 119.8380 55.1006 18.1461 179.0557 45 E 3.7489 8.1813 117.7523 59.4037 29.7745 179.2744 46 V 3.3804 7.4303 118.3699 65.8100 31.5111 178.0870 47 V 3.3285 8.1555 118.2960 66.2350 31.2845 178.0750 48 T 3.8635 8.2790 115.7485 66.7309 68.2694 176.5829 49 L 4.0721 8.1295 120.9856 57.5508 41.4853 179.3935 50 F 4.1285 8.1361 121.8536 61.0187 39.5454 176.7101 51 C 4.1448 8.3868 116.3710 63.1740 27.9761 176.1252 52 D 4.3468 8.5480 120.4331 57.6280 40.4716 178.6846 53 D 4.2995 8.4547 119.5679 57.0531 40.7428 178.8154 54 A 3.5701 7.8211 121.5778 54.7661 18.2188 178.7526 55 D 4.1986 7.1093 116.2300 57.8107 41.1555 178.9267 56 R 3.8245 7.8339 118.6971 59.4366 29.9924 178.5078 57 I 3.9251 7.6068 120.9517 63.7986 36.9941 178.5289 58 I 3.6030 7.6542 120.6369 64.3673 36.8322 178.5744 59 S 4.0668 7.6992 115.6498 61.7915 62.6283 176.6762 60 E 3.7905 8.0921 121.1581 59.2916 29.0543 179.5159 61 L 3.9159 7.9733 119.0133 57.6276 41.4502 179.3436 62 A 3.9945 7.9893 119.7437 55.0626 18.5460 179.2726 63 A 4.0476 7.7904 119.0261 55.1780 18.3888 179.7655 64 L 3.9049 7.8862 117.5021 57.8415 41.5533 179.0010 65 L 4.3991 7.7603 115.2368 55.0601 41.8174 176.7177 66 D 4.7810 7.3770 117.1369 53.8800 41.6174 175.9676 67 Q 4.3829 7.5437 116.4595 54.7740 29.7934 174.3646 68 P 4.3529 0.0000 0.0000 64.9758 31.4919 177.2286 69 I 4.4326 7.4410 117.8534 59.1528 39.3753 175.1176 70 V 3.6128 8.1899 125.6438 62.3203 32.2193 176.4028 71 D 4.6088 8.0532 126.7539 52.8632 39.6273 176.4180 72 F 4.2796 8.3085 124.0493 60.0425 39.1769 176.5777 73 D 4.3879 8.1418 118.3158 57.2821 40.8670 178.4947 74 K 3.9615 8.2381 119.7456 59.2626 32.1394 179.0602 75 V 3.6749 7.9304 118.8044 65.9568 31.3850 177.3779 76 D 4.3029 8.5829 117.9647 57.4898 41.0573 178.2446 77 A 3.9200 7.9968 121.1479 55.2885 18.3188 179.2758 78 Y 4.0249 7.8486 115.1768 60.9928 37.8987 178.5689 79 V 3.3569 7.8917 119.3791 66.0239 31.6107 177.4353 80 H 4.0907 8.3822 118.1821 59.4956 29.6060 177.1907 81 Q 3.9237 8.1934 119.6917 58.9490 28.5079 178.6119 82 L 3.9264 8.4878 121.4759 57.7000 41.9203 179.0277 83 K 4.0607 7.9902 120.1821 59.1779 32.1597 179.1252 84 G 3.4949 7.9385 105.9871 47.7914 0.0000 175.3318 85 S 4.2244 8.2144 116.6759 61.3493 62.3045 176.6371 86 S 4.4751 8.5468 116.6517 61.3431 62.8061 176.2055 87 A 3.9996 8.3461 124.8691 54.8951 17.8974 179.6645 88 S 4.1079 8.1442 111.2663 60.8092 63.0488 175.6047 89 V 4.2887 7.0894 111.9155 60.2021 32.0605 175.4710 90 G 3.7967 8.1637 108.1527 46.9027 0.0000 174.5058 91 A 4.3721 7.8457 123.7280 50.8079 17.3357 177.8204 92 Q 3.4857 8.3887 124.2785 59.2908 29.3725 177.9012 93 K 3.8841 7.6745 119.0633 59.2900 32.1537 179.3756 94 V 3.8676 7.5684 119.4625 65.3486 31.3360 177.8991 95 K 3.9955 7.5917 117.8738 59.4051 32.3285 178.5484 96 F 4.7185 7.8478 117.8318 61.2068 38.8633 177.8172 97 T 4.7065 8.0556 116.5687 66.4310 68.0963 176.4785 98 C 4.3338 8.2108 118.6325 62.8755 27.9254 176.0767 99 M 4.1368 8.2803 120.6745 58.3687 31.6839 178.6237 100 Q 4.0570 8.1732 117.7504 58.9604 28.9687 178.3766 101 F 4.2625 8.5187 121.7095 61.5866 39.3135 177.0372 102 R 3.9649 8.4275 118.3479 59.7252 29.8505 178.5394 103 Q 4.0150 7.8903 117.9125 58.9621 28.7760 178.6123 104 L 4.0734 8.4474 120.3124 57.5453 41.6690 178.9741 105 C 4.3417 8.1466 118.9146 62.2835 31.4156 175.5741 106 Q 4.0420 8.2281 119.0768 58.4990 28.3610 177.3170 107 D 4.3768 7.8226 116.6772 53.5309 41.9119 175.6308 108 K 2.0000 7.1431 116.0994 57.9208 29.8271 176.1557 109 N 4.7018 7.4203 118.4750 51.5052 39.4240 174.5023 110 R 4.1784 8.8789 126.0407 59.6664 30.3615 177.6228 111 D 4.4653 8.3165 118.1777 57.4200 40.7846 178.9331 112 G 3.5906 8.5891 106.1731 47.9688 0.0000 175.5132 113 C 3.8559 8.2390 119.2628 62.6571 28.2085 176.3805 114 I 3.7739 7.8865 121.4300 64.3085 36.6498 178.2371 115 M 3.9612 7.9433 118.8918 58.3793 32.0583 178.1250 116 A 3.8388 7.9193 121.2510 54.8990 18.4438 179.3517 117 L 3.9129 7.6985 118.9883 58.2772 42.3158 179.0556 118 A 3.9532 7.9880 120.6280 54.9393 18.1781 179.9456 119 V 3.4913 7.7321 116.9271 66.0949 31.6357 178.2595 120 V 3.7591 8.1458 118.4646 66.1907 31.3311 177.9480 121 R 3.6546 8.0339 118.2057 59.5235 30.0418 178.2487 122 N 4.4082 7.9604 115.8655 56.2244 38.5614 177.3276 123 E 4.0158 8.0909 120.1450 59.0415 29.5685 178.9352 124 F 4.4839 8.8959 121.0584 61.7559 39.4844 176.5969 125 Y 4.0857 8.3814 116.6283 61.1482 37.5075 178.4334 126 D 4.2249 8.0104 118.3400 57.2844 41.3249 178.0810 127 L 3.5535 7.8375 120.7516 57.8994 42.0804 178.7363 128 R 3.9498 7.8879 118.8019 59.6490 29.9426 178.0880 129 N 4.2659 8.1373 116.2175 56.2035 38.3996 177.5042 130 K 3.8516 7.6192 119.7673 59.6368 32.1423 179.4492 131 F 4.3341 8.2513 118.2042 60.7754 38.7998 177.8047 132 Q 4.0772 8.3542 117.7484 59.3380 28.4652 179.0324 133 T 3.9321 7.9143 116.8439 66.5048 68.4099 176.5436 134 M 4.0540 8.8024 121.1539 58.7695 32.3909 178.1161 135 L 4.0128 8.3444 119.4446 58.1525 41.3797 179.6996 136 Q 4.0360 8.2962 117.7861 58.9788 28.6343 178.9250 137 L 4.0677 8.2020 120.1323 57.6201 41.7583 179.4520 138 E 3.9840 8.4462 118.7022 59.5397 29.2469 179.0001 139 Q 4.0258 7.9167 116.8075 59.4243 28.8728 179.1610 140 Q 4.1910 7.6104 116.7993 58.5862 29.0631 177.7593 141 I 3.8234 7.6097 119.9856 64.7595 37.2574 176.5055 142 Q 4.3075 7.8477 121.4494 56.2463 28.6932 176.1625 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 5 A 8.12 4.36 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 6 L 8.31 3.86 0.00 1.80 1.73 0.98 0.50 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 7 R 8.19 3.90 0.00 1.89 1.95 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 8 E 8.13 4.06 0.00 2.09 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 2.41 0.00 9 Q 8.05 4.01 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 10 L 8.14 4.02 0.00 1.87 1.86 0.99 0.66 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 11 N 8.07 4.39 0.00 3.00 2.88 0.00 0.00 6.91 6.99 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 12 A 7.80 4.05 1.40 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 0.00 0.00 13 L 8.13 3.94 0.00 1.92 1.71 1.01 0.50 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 14 L 8.01 4.05 0.00 2.13 1.99 1.08 1.07 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 15 S 8.35 4.24 0.00 3.93 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 16 S 8.21 4.10 0.00 3.95 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 17 M 8.05 3.84 0.00 1.69 1.98 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.35 0.00 18 F 8.25 4.22 0.00 3.24 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.03 4.11 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 20 S 8.27 4.37 0.00 3.89 3.88 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 0.00 0.00 0.00 0.00 21 G 7.85 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 0.00 0.00 0.00 0.00 22 L 7.50 3.96 0.00 1.44 1.43 0.76 0.77 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 23 V 7.35 5.34 1.75 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 0.01 0.00 0.00 -0.12 0.00 0.00 24 D 8.03 5.29 0.00 2.86 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 25 E 8.89 4.19 0.00 2.19 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 2.41 2.46 0.00 26 Q 8.13 4.03 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.58 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 27 F 8.26 4.22 0.00 3.31 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 28 Q 8.32 4.06 0.00 2.39 2.31 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 2.27 2.46 0.00 29 Q 8.65 4.04 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.70 0.00 30 L 7.93 4.01 0.00 1.63 1.57 1.02 0.93 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 31 Q 7.80 3.86 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 32 M 7.96 4.03 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 33 L 8.20 3.89 0.00 1.56 1.98 0.86 0.70 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 34 Q 8.21 4.15 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 35 E 7.69 4.01 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 2.34 2.34 0.00 36 D 8.30 4.62 0.00 2.61 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 37 G 7.82 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 38 G 8.01 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 39 T 7.28 4.43 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 1.23 0.00 0.00 40 P 0.00 4.26 0.00 2.06 2.01 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 41 G 8.94 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 0.00 0.00 0.00 42 F 8.37 4.04 0.00 3.17 3.27 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 43 V 8.13 3.41 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 44 A 7.94 3.90 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 45 E 8.18 3.75 0.00 2.08 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 2.23 2.20 0.00 46 V 7.43 3.38 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.32 0.00 0.00 47 V 8.16 3.33 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 0.30 0.00 0.00 0.39 0.00 0.00 48 T 8.28 3.86 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 1.20 0.00 0.00 49 L 8.13 4.07 0.00 1.83 1.72 0.97 0.99 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 50 F 8.14 4.13 0.00 3.18 3.32 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 51 C 8.39 4.14 0.00 3.22 3.12 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 52 D 8.55 4.35 0.00 2.78 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 53 D 8.45 4.30 0.00 2.62 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 54 A 7.82 3.57 0.30 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 55 D 7.11 4.20 0.00 3.15 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 56 R 7.83 3.82 0.00 1.89 1.96 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 57 I 7.61 3.93 1.72 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 1.63 1.60 0.86 0.00 0.00 58 I 7.65 3.60 1.78 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.41 0.84 0.00 0.00 59 S 7.70 4.07 0.00 3.90 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 60 E 8.09 3.79 0.00 1.46 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 2.06 2.18 0.00 61 L 7.97 3.92 0.00 1.83 1.82 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.99 3.99 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 63 A 7.79 4.05 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 64 L 7.89 3.90 0.00 2.03 1.69 0.92 0.53 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 65 L 7.76 4.40 0.00 1.72 1.71 1.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.38 4.78 0.00 2.70 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 67 Q 7.54 4.38 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.72 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 68 P 0.00 4.35 0.00 2.03 2.11 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 69 I 7.44 4.43 1.86 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 1.31 0.61 0.93 0.00 0.00 70 V 8.19 3.61 1.14 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 -0.33 0.00 0.00 0.73 0.00 0.00 71 D 8.05 4.61 0.00 2.70 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 72 F 8.31 4.28 0.00 3.15 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 73 D 8.14 4.39 0.00 2.85 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 74 K 8.24 3.96 0.00 2.00 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.41 7.81 75 V 7.93 3.67 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 1.06 0.00 0.00 0.95 0.00 0.00 76 D 8.58 4.30 0.00 2.96 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 77 A 8.00 3.92 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 78 Y 7.85 4.02 0.00 3.09 2.83 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 79 V 7.89 3.36 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 0.84 0.00 0.00 -0.05 0.00 0.00 80 H 8.38 4.09 0.00 3.24 3.44 0.00 5.84 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 81 Q 8.19 3.92 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 82 L 8.49 3.93 0.00 1.64 1.76 0.80 0.64 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 83 K 7.99 4.06 0.00 2.02 1.95 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 84 G 7.94 3.49 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 0.00 0.00 0.00 85 S 8.21 4.22 0.00 3.93 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 86 S 8.55 4.48 0.00 4.14 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 0.00 87 A 8.35 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.14 4.11 0.00 4.03 4.14 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 0.00 0.00 0.00 0.00 89 V 7.09 4.29 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 0.63 0.00 0.00 0.33 0.00 0.00 90 G 8.16 3.80 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 0.00 0.00 0.00 91 A 7.85 4.37 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 3.49 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.75 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 93 K 7.67 3.88 0.00 1.79 2.02 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.57 7.81 94 V 7.57 3.87 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 1.29 0.00 0.00 1.12 0.00 0.00 95 K 7.59 4.00 0.00 1.87 1.78 0.00 1.98 0.00 0.00 1.84 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.63 7.81 96 F 7.85 4.72 0.00 3.27 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 97 T 8.06 4.71 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 1.29 0.00 0.00 98 C 8.21 4.33 0.00 3.26 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 99 M 8.28 4.14 0.00 2.14 2.36 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.66 0.00 100 Q 8.17 4.06 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 101 F 8.52 4.26 0.00 3.30 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 0.00 102 R 8.43 3.96 0.00 2.03 2.23 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 103 Q 7.89 4.01 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.64 2.56 0.00 104 L 8.45 4.07 0.00 1.86 1.74 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.15 4.34 0.00 3.38 3.30 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 0.00 106 Q 8.23 4.04 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 107 D 7.82 4.38 0.00 2.72 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 0.00 108 K 7.14 2.00 0.00 1.60 1.16 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.77 1.21 7.81 109 N 7.42 4.70 0.00 2.64 2.79 0.00 0.00 6.90 7.67 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 0.00 110 R 8.88 4.18 0.00 2.19 2.04 0.00 3.28 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 111 D 8.32 4.47 0.00 2.91 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 0.00 112 G 8.59 3.59 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 0.00 0.00 0.00 113 C 8.24 3.86 0.00 3.28 3.18 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 0.00 114 I 7.89 3.77 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 1.39 1.03 0.88 0.00 0.00 115 M 7.94 3.96 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 116 A 7.92 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.70 3.91 0.00 1.69 1.73 1.07 0.96 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 0.00 118 A 7.99 3.95 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 0.00 119 V 7.73 3.49 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 1.08 0.00 0.00 0.97 0.00 0.00 120 V 8.15 3.76 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 0.96 0.00 0.00 1.13 0.00 0.00 121 R 8.03 3.65 0.00 1.92 1.89 0.00 3.07 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.21 0.00 122 N 7.96 4.41 0.00 2.95 2.86 0.00 0.00 7.09 7.00 0.00 0.00 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 E 8.09 4.02 0.00 2.30 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 2.33 2.40 0.00 124 F 8.90 4.48 0.00 2.95 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.38 4.09 0.00 2.94 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 0.00 126 D 8.01 4.22 0.00 2.93 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 0.00 127 L 7.84 3.55 0.00 1.80 1.58 0.53 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 128 R 7.89 3.95 0.00 1.25 1.45 0.00 3.17 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 129 N 8.14 4.27 0.00 2.68 2.79 0.00 0.00 7.09 6.76 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 0.00 130 K 7.62 3.85 0.00 1.72 1.63 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.37 7.81 131 F 8.25 4.33 0.00 3.23 2.88 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 0.00 0.00 0.00 0.00 132 Q 8.35 4.08 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 133 T 7.91 3.93 4.40 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 1.22 0.00 0.00 134 M 8.80 4.05 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.71 0.00 135 L 8.34 4.01 0.00 1.72 1.72 0.89 0.85 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 0.00 136 Q 8.30 4.04 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 137 L 8.20 4.07 0.00 1.88 1.74 0.96 0.79 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 0.00 138 E 8.45 3.98 0.00 2.05 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 2.37 2.40 0.00 139 Q 7.92 4.03 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 140 Q 7.61 4.19 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 141 I 7.61 3.82 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.65 0.93 0.00 0.00 142 Q 7.85 4.31 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.55 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00