NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3695 8.3044 120.3482 55.6561 32.2773 174.8097 2 N 4.4679 8.0507 124.0577 51.3215 37.4270 172.6221 3 L 3.9670 8.0141 126.2552 57.2034 42.5218 178.2648 4 K 4.0641 7.9542 118.2300 59.7650 32.7950 178.9275 5 Q 4.0218 8.0107 120.2373 58.6695 28.9548 178.0117 6 I 3.6777 8.0914 121.2166 64.0888 37.0825 177.9585 7 A 3.9524 7.8955 121.6215 55.1237 18.1786 179.1816 8 K 3.7653 7.8705 117.7643 60.2224 32.2342 178.5406 9 D 4.3670 8.3091 118.7795 57.6222 40.5872 179.1992 10 T 3.8660 8.2187 116.2503 66.3920 68.4051 176.6781 11 A 3.9814 8.2434 122.9351 55.1414 18.4558 179.5803 12 K 3.8553 8.1809 117.0682 60.2422 32.1727 179.6954 13 T 3.9374 7.9679 115.6821 66.5695 68.3464 176.8450 14 L 4.1043 8.2819 121.2499 57.8812 41.6527 179.5697 15 Q 4.0671 8.4647 118.3367 59.0744 28.6617 178.8194 16 S 4.1705 8.2129 114.2048 61.5860 62.4422 175.5990 17 Y 4.1559 8.1485 122.2694 60.4084 38.5198 177.5322 18 L 4.1157 8.2623 120.0674 57.3883 41.7428 179.3402 19 T 3.8286 8.0888 116.0113 66.7881 68.4720 175.4919 20 Y 4.0945 7.7910 121.4109 61.2331 38.7928 178.6398 21 Q 3.5256 7.9078 118.2258 58.6620 28.8842 178.5618 22 A 3.9644 8.4168 122.1865 54.9312 18.3636 179.4318 23 L 3.8754 8.3527 119.4549 58.2944 42.0965 179.4990 24 R 3.8122 7.5841 116.0061 59.3492 29.3286 178.9004 25 T 3.7734 7.6558 116.2540 66.5251 68.4813 176.7754 26 V 3.6429 7.6602 119.7474 65.5453 31.2962 177.4702 27 L 3.8448 7.6813 119.1802 58.4599 42.1502 178.3196 28 A 4.0564 8.2325 120.4828 55.7388 18.1675 179.2959 29 Q 3.9845 8.5864 115.8844 59.1283 28.8475 179.0455 30 L 4.4838 8.6038 118.0125 55.5393 41.7363 179.0282 31 G 3.7884 8.6036 109.1853 47.8668 0.0000 175.8742 32 E 4.3480 8.1050 118.5923 59.5957 30.2758 180.6965 33 T 4.6017 7.4335 113.6957 64.6770 70.8714 175.3843 34 N 4.9754 7.5780 117.8217 49.7990 39.1600 172.4750 35 P 4.3887 0.0000 0.0000 64.6521 31.7590 175.9943 36 P 4.3623 0.0000 0.0000 66.6564 31.1852 179.1934 37 L 4.1463 7.9512 121.6938 58.7784 40.8681 180.3512 38 A 4.3290 8.3768 124.3016 55.9179 18.2128 180.4570 39 L 4.0279 8.1665 120.5507 59.3737 40.9433 180.8450 40 W 4.3390 8.2687 129.6994 60.3747 30.4633 177.8710 41 L 3.5092 8.7715 120.5217 58.0907 41.3232 177.9790 42 H 4.0382 8.4600 120.1334 60.1887 29.8168 176.9634 43 N 4.4219 8.6182 120.4452 57.5601 37.4924 178.4260 44 F 4.1042 8.2044 125.3900 61.7838 39.4098 177.8252 45 S 4.5474 7.7098 116.5408 61.8373 62.5741 176.5214 46 A 4.2136 7.6214 122.8633 52.7994 19.9596 172.1581 47 G 3.6619 9.2758 113.0938 44.7914 0.0000 175.5147 *50 Q 4.0930 8.8068 125.5154 56.6470 29.9184 171.8450 51 D 4.7624 8.1571 121.1267 51.3430 41.4790 177.1571 52 G 4.0806 9.1792 112.4327 47.6010 0.0000 175.6517 53 E 4.1283 8.2007 119.9919 58.9468 29.5978 179.1867 54 K 3.9997 8.3693 119.8854 59.7351 32.2500 177.6831 55 Y 4.3001 8.2966 119.0991 61.2790 38.4953 177.9304 56 I 3.6836 8.0910 119.5384 64.7272 37.5378 178.0075 57 E 4.0154 8.2389 119.6092 59.4352 29.5809 178.7973 58 E 4.2005 8.3742 118.6769 59.2802 29.6038 179.0155 59 L 3.5854 8.1616 120.8855 57.7981 41.8024 178.8043 60 F 4.0063 8.2242 120.2262 61.1018 39.3573 176.8251 61 L 4.2360 7.5870 116.7017 57.7196 41.4487 178.9081 62 E 4.5165 7.8312 119.0923 57.9630 30.6727 178.5248 63 K 4.3268 8.3971 126.6298 50.9948 33.3630 177.1046 64 P 3.6841 0.0000 0.0000 65.0962 31.1417 178.0952 65 D 4.1842 7.8137 116.7351 56.8604 40.7851 178.4448 66 L 3.9252 7.5328 120.5594 57.7198 42.1376 178.5067 67 A 3.8959 7.6941 120.7776 55.1187 18.2442 179.4717 68 L 3.8614 7.7447 117.7955 58.0020 41.6097 179.8686 69 R 3.8989 7.5549 118.2777 59.2834 29.9731 178.6015 70 I 3.7562 7.6993 119.4396 64.5669 37.2482 178.1158 71 M 4.0896 8.4104 119.9249 58.9580 31.8323 179.0584 72 T 4.0117 8.0577 115.7925 66.4395 68.6235 177.1938 73 V 3.6386 7.8990 120.4915 65.9792 31.6944 178.2296 74 R 4.1185 8.2105 116.0010 59.2286 28.9240 178.1762 75 E 4.0929 7.8509 118.6318 58.8496 29.8781 177.8107 76 H 4.1777 8.3723 118.3921 59.1197 29.9206 177.3759 77 I 3.6222 8.4103 121.7423 64.3005 36.9224 178.0944 78 A 4.0374 8.0049 121.4799 55.5151 18.0285 179.6397 79 E 3.9019 8.2219 115.5747 59.3004 29.5042 178.9962 80 E 4.2195 7.8151 117.8130 58.2525 30.0642 178.0672 81 I 4.4138 7.9249 111.8968 61.8809 38.5230 177.5432 82 A 4.0225 8.1752 123.8193 55.4745 17.9370 179.4565 83 E 3.8182 7.9850 113.4305 59.1138 29.7541 178.4314 84 F 5.3641 7.9300 119.3307 58.3301 39.2308 177.7002 85 L 4.0029 7.8942 119.4168 57.4783 41.4947 177.4223 86 P 4.2571 0.0000 0.0000 65.8765 31.3459 178.5101 87 E 4.0243 8.1616 116.5575 59.7063 29.4784 179.1698 88 M 4.0835 8.1218 118.7667 58.2947 32.0089 179.0291 89 V 3.6288 7.9763 118.2682 65.7192 31.8672 178.0824 90 V 3.5833 8.1986 118.5823 66.4589 31.3562 178.2083 91 T 4.1962 8.2708 109.5564 64.5920 68.5397 176.6671 92 G 3.5523 8.2377 108.8824 47.6054 0.0000 175.9474 93 I 3.7461 7.9242 122.1887 64.2298 37.1446 178.2900 94 Q 3.9547 8.0806 118.9041 59.2022 28.5493 179.1414 95 Q 3.9269 8.4094 120.3249 59.1385 29.0594 178.0605 96 A 4.0284 8.0870 121.8610 55.0934 18.2599 179.0328 97 N 4.2215 8.9334 115.7992 57.1718 38.6792 177.4538 98 M 4.1289 7.8531 119.2875 57.9890 32.0759 178.5766 99 E 3.9746 8.6153 119.4162 59.3745 29.5998 179.5470 100 K 3.9597 7.8314 117.9794 59.6587 32.1640 179.6792 101 R 3.9358 7.7608 118.3240 59.3491 29.9260 179.4318 102 R 3.9859 8.1483 117.9369 59.0727 29.9974 178.9915 103 Q 3.9838 8.6263 118.3327 59.3992 28.7735 178.4197 104 H 4.0734 8.4238 119.2035 59.2490 29.7344 177.0329 105 L 3.9873 8.0900 122.1822 57.9112 41.8192 178.7064 106 E 3.9742 8.4892 121.1018 60.1457 29.6047 179.8161 107 R 3.8638 8.0478 120.5789 62.0022 29.3685 180.4586 108 M 4.1878 7.9427 118.8074 58.8104 32.3469 178.5606 109 T 4.0023 8.3494 118.6739 67.1656 68.3795 177.4727 110 Q 4.0483 8.6456 122.9611 60.3650 28.4316 180.9007 111 V 3.9012 7.7498 119.9192 65.9526 31.4532 178.2789 112 S 4.1997 8.1216 114.9351 60.9391 62.8162 175.9281 113 L 4.5720 7.4644 118.1399 54.4122 41.7811 176.7593 114 S 4.3728 7.7714 120.9159 58.6402 63.1452 173.8896 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.37 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 N 8.05 4.47 0.00 2.91 2.70 0.00 0.00 7.08 5.78 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 3 L 8.01 3.97 0.00 1.72 1.71 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.95 4.06 0.00 1.98 2.06 0.00 1.50 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 5 Q 8.01 4.02 0.00 2.18 2.13 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 2.42 2.66 0.00 6 I 8.09 3.68 2.00 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 0.59 0.90 0.00 0.00 7 A 7.90 3.95 1.38 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 0.00 0.00 8 K 7.87 3.77 0.00 1.87 1.84 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 9 D 8.31 4.37 0.00 2.77 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 10 T 8.22 3.87 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 1.20 0.00 0.00 11 A 8.24 3.98 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 12 K 8.18 3.86 0.00 1.99 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.66 7.81 13 T 7.97 3.94 4.39 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 1.19 0.00 0.00 14 L 8.28 4.10 0.00 1.94 1.78 0.93 1.18 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 15 Q 8.46 4.07 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 16 S 8.21 4.17 0.00 3.95 4.03 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 17 Y 8.15 4.16 0.00 3.21 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 18 L 8.26 4.12 0.00 1.82 1.74 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.09 3.83 4.43 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 1.37 0.00 0.00 20 Y 7.79 4.09 0.00 2.85 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 21 Q 7.91 3.53 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 1.92 2.32 0.00 22 A 8.42 3.96 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 23 L 8.35 3.88 0.00 1.65 1.68 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.58 3.81 0.00 1.91 1.93 0.00 2.21 0.00 0.00 2.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.38 0.00 25 T 7.66 3.77 4.33 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 1.19 0.00 0.00 26 V 7.66 3.64 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 0.81 0.00 0.00 0.97 0.00 0.00 27 L 7.68 3.84 0.00 1.89 1.71 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.23 4.06 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 29 Q 8.59 3.98 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 30 L 8.60 4.48 0.00 1.89 1.72 0.93 1.01 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 31 G 8.60 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.10 4.35 0.00 2.08 1.87 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 2.18 1.95 0.00 33 T 7.43 4.60 4.33 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 1.21 0.00 0.00 34 N 7.58 4.98 0.00 2.78 2.63 0.00 0.00 7.31 7.59 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 35 P 0.00 4.39 0.00 2.21 2.13 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.42 0.00 36 P 0.00 4.36 0.00 2.28 2.33 0.00 3.66 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 2.24 2.04 0.00 37 L 7.95 4.15 0.00 1.67 1.72 0.92 0.75 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 38 A 8.38 4.33 1.46 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 0.00 0.00 0.00 39 L 8.17 4.03 0.00 1.67 1.69 0.92 0.80 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 40 W 8.27 4.34 0.00 3.50 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 41 L 8.77 3.51 0.00 2.06 1.86 0.96 1.03 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 42 H 8.46 4.04 0.00 3.41 3.36 0.00 5.84 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.62 4.42 0.00 2.80 2.73 0.00 0.00 7.12 7.31 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 44 F 8.20 4.10 0.00 1.51 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.71 4.55 0.00 3.71 3.76 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 46 A 7.62 4.21 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 0.00 0.00 0.00 0.00 0.00 47 G 9.28 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 *50 Q 8.81 4.09 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 51 D 8.16 4.76 0.00 2.64 2.53 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 52 G 9.18 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 53 E 8.20 4.13 0.00 2.05 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 2.45 2.35 0.00 54 K 8.37 4.00 0.00 1.96 1.88 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.48 7.81 55 Y 8.30 4.30 0.00 3.19 3.25 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 56 I 8.09 3.68 2.00 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 1.89 0.83 1.08 0.00 0.00 57 E 8.24 4.02 0.00 2.36 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 0.00 2.31 2.36 0.00 58 E 8.37 4.20 0.00 2.37 2.24 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 2.39 2.44 0.00 59 L 8.16 3.59 0.00 1.17 1.56 0.34 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.22 4.01 0.00 3.33 2.97 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 61 L 7.59 4.24 0.00 1.95 1.79 0.98 0.94 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 62 E 7.83 4.52 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.80 0.00 63 K 8.40 4.33 0.00 1.57 1.65 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.24 7.81 64 P 0.00 3.68 0.00 2.02 2.11 0.00 3.45 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 2.10 2.40 0.00 65 D 7.81 4.18 0.00 2.57 2.62 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 66 L 7.53 3.93 0.00 1.67 1.68 0.92 1.50 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 67 A 7.69 3.90 1.03 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 0.00 0.00 68 L 7.74 3.86 0.00 1.71 1.69 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.55 3.90 0.00 1.97 2.07 0.00 3.13 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 70 I 7.70 3.76 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.34 1.03 0.00 0.00 71 M 8.41 4.09 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.69 0.00 72 T 8.06 4.01 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 1.21 0.00 0.00 73 V 7.90 3.64 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.02 0.00 0.00 74 R 8.21 4.12 0.00 2.11 2.32 0.00 3.01 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.69 0.00 75 E 7.85 4.09 0.00 2.33 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 0.00 2.31 2.48 0.00 76 H 8.37 4.18 0.00 3.36 3.50 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.41 3.62 1.89 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 1.46 0.89 0.94 0.00 0.00 78 A 8.00 4.04 1.38 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 0.00 0.00 79 E 8.22 3.90 0.00 2.01 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 2.35 2.51 0.00 80 E 7.82 4.22 0.00 2.00 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 2.31 2.25 0.00 81 I 7.92 4.41 2.00 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 1.71 0.92 1.03 0.00 0.00 82 A 8.18 4.02 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 83 E 7.98 3.82 0.00 1.82 1.87 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 1.56 1.47 0.00 84 F 7.93 5.36 0.00 3.29 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.89 4.00 0.00 1.90 1.76 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.26 0.00 2.16 2.11 0.00 3.70 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 87 E 8.16 4.02 0.00 2.13 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 2.45 2.49 0.00 88 M 8.12 4.08 0.00 2.10 2.34 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 89 V 7.98 3.63 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 90 V 8.20 3.58 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 0.98 0.00 0.00 91 T 8.27 4.20 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 92 G 8.24 3.55 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 0.00 93 I 7.92 3.75 1.87 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 1.51 1.04 0.90 0.00 0.00 94 Q 8.08 3.95 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 95 Q 8.41 3.93 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 96 A 8.09 4.03 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 97 N 8.93 4.22 0.00 3.01 2.90 0.00 0.00 7.04 6.71 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 98 M 7.85 4.13 0.00 2.00 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 99 E 8.62 3.97 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 2.58 2.50 0.00 100 K 7.83 3.96 0.00 1.77 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 101 R 7.76 3.94 0.00 1.80 1.98 0.00 3.11 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 102 R 8.15 3.99 0.00 2.03 1.98 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 103 Q 8.63 3.98 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 104 H 8.42 4.07 0.00 3.25 3.51 0.00 5.78 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 0.00 105 L 8.09 3.99 0.00 1.95 1.83 0.93 1.00 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 0.00 106 E 8.49 3.97 0.00 2.14 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 2.60 2.47 0.00 107 R 8.05 3.86 0.00 1.81 1.97 0.00 3.27 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 108 M 7.94 4.19 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 109 T 8.35 4.00 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 1.20 0.00 0.00 110 Q 8.65 4.05 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 111 V 7.75 3.90 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.96 0.00 0.00 112 S 8.12 4.20 0.00 3.89 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.46 4.57 0.00 1.70 1.67 0.92 0.75 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 0.00 114 S 7.77 4.37 0.00 3.91 3.72 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 * Residues marked with a * may have inaccurate shift predictions.