NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0357 8.0549 120.3898 62.5503 32.6298 174.7176 2 L 4.3477 8.3459 127.4525 52.2543 42.8304 175.8838 3 S 4.5426 9.9360 120.1650 57.0023 66.5727 173.4735 4 P 4.2180 0.0000 0.0000 65.7822 30.9824 178.8993 5 A 4.0522 7.9532 119.0350 54.9862 18.2124 179.2767 6 D 4.5187 8.0140 118.9478 57.0820 40.9497 179.0972 7 K 3.9231 8.0021 118.8933 59.7526 31.9606 179.6216 8 T 3.8945 7.7922 115.5524 66.5915 68.2975 176.5704 9 N 4.3143 8.3439 118.5814 56.2493 38.5530 177.6599 10 V 3.5089 8.0140 119.8547 65.9278 31.6899 178.2218 11 K 3.9665 8.0896 117.9868 59.3671 31.6541 179.2441 12 A 3.9830 7.9986 119.7883 55.0268 18.6465 179.3601 13 A 4.1240 8.2423 119.4070 55.2449 18.6075 179.8154 14 W 4.2087 8.8521 127.2633 60.2030 29.1662 178.3314 15 G 3.7000 8.1902 105.5706 47.3233 0.0000 175.6631 16 K 4.1945 7.7899 119.7487 58.6439 32.2435 179.2759 17 V 3.3901 7.4390 119.3011 64.2897 31.5842 177.9572 18 G 3.9457 7.7181 105.8147 46.4124 0.0000 175.5271 19 A 4.0590 8.5457 127.1945 53.5845 18.2939 178.5249 20 H 4.3165 8.1150 113.5762 55.8347 28.5765 176.5084 21 A 3.8385 7.4819 123.5429 55.9792 17.9303 180.2463 22 G 3.6839 7.9212 101.4300 47.5623 0.0000 174.8396 23 E 3.9720 8.0517 120.9634 59.5269 29.6629 178.4799 24 Y 4.3790 8.4911 117.1888 61.0742 37.9975 178.8002 25 G 3.6931 8.7747 106.9781 47.7492 0.0000 175.6574 26 A 4.0750 8.5034 123.6256 54.8597 18.3504 179.3608 27 E 3.8881 8.4862 117.6948 59.3561 29.7359 178.8213 28 A 3.9771 8.3056 121.0534 55.1322 18.3371 179.6413 29 L 3.5086 7.7839 117.2148 57.7734 41.7315 179.3279 30 E 4.0975 8.3024 119.2391 59.4356 29.5070 179.0075 31 R 3.9066 8.3361 118.5067 59.3391 30.0615 178.7822 32 M 4.1764 7.9487 117.8780 58.8455 32.0375 178.2764 33 F 4.5485 7.9864 118.2869 60.5012 38.8091 177.5388 34 L 4.0738 7.9274 119.0389 58.3410 42.0869 178.8726 35 S 4.0594 7.9720 113.9658 59.8328 64.1624 174.6558 36 F 4.9814 8.1947 120.1975 53.6276 39.2257 173.2324 37 P 4.5483 0.0000 0.0000 65.1771 31.4717 177.8216 38 T 4.0209 8.1779 108.1889 64.9541 68.5054 176.3205 39 T 4.2924 8.4745 112.4561 64.4545 68.6282 176.4825 40 K 4.2414 8.4567 121.8197 59.2824 31.7612 178.9042 41 T 3.9520 7.8193 109.5405 64.6738 68.4443 175.1785 42 Y 4.1725 7.8301 117.4558 58.6034 39.2575 175.1633 43 F 4.8044 8.5421 119.4812 55.8919 39.5877 174.8754 44 P 4.3782 0.0000 0.0000 65.5352 31.7268 177.1699 45 H 4.6801 8.4671 112.3545 55.9178 29.1935 174.9773 46 F 4.6715 7.8485 119.6123 56.4493 40.0460 174.9852 47 D 4.5852 8.9602 124.5366 53.7017 40.7767 175.8923 48 L 4.5744 8.2650 126.5199 54.4072 42.2398 177.1313 49 S 4.3663 8.1187 114.2887 57.7095 63.7211 173.0590 50 H 4.4541 8.5645 121.6894 57.9423 29.8299 175.7083 51 G 3.8078 8.7599 114.6803 45.1696 0.0000 173.8087 52 S 4.0030 7.9503 114.1301 59.0276 63.5774 174.9266 53 A 4.0218 8.5676 130.1505 55.2602 18.2892 179.7952 54 Q 3.7130 7.8316 116.2575 59.0271 28.7060 178.9673 55 V 3.9216 7.9322 121.7364 66.3848 31.6724 178.9091 56 K 4.1318 8.2473 123.7047 59.8721 31.4844 181.5687 57 G 3.8605 8.3240 107.6137 47.8144 0.0000 175.3539 58 H 4.4764 8.6646 120.7991 58.9751 29.8661 177.6102 59 G 3.7001 8.6803 108.1775 47.6630 0.0000 175.6188 60 K 4.0243 8.0686 121.4707 59.2410 32.1944 179.1828 61 K 4.0336 7.8745 119.0895 59.2131 31.9411 179.5881 62 V 3.5615 7.9686 118.3686 65.9416 31.5403 177.9308 63 A 4.3189 8.3127 120.6687 55.5780 18.3085 179.4016 64 D 4.4729 8.6630 117.4522 57.3701 40.7782 178.9212 65 A 4.0666 8.1720 121.5614 55.1251 18.2921 179.6997 66 L 3.8581 7.9693 117.5877 58.1365 41.5896 179.8363 67 T 3.9759 8.1477 115.8210 66.6014 68.1615 176.2425 68 N 4.3687 8.0790 118.0053 56.6404 39.2717 176.5032 69 A 4.1961 8.1953 122.3694 55.1689 18.2246 179.8010 70 V 3.3968 7.9646 116.0116 66.0323 31.6945 177.9594 71 A 4.2272 8.0025 119.0822 54.0484 18.6762 177.1356 72 H 4.9482 8.0163 115.4495 55.1491 29.8120 176.2318 73 V 3.8430 8.1491 120.4983 64.4363 31.3489 176.5487 74 D 4.5806 7.9857 118.5299 55.5768 42.1343 176.0255 75 D 4.7822 7.9856 119.0577 52.4107 41.6629 175.8868 76 M 4.1329 7.9702 122.8959 57.9734 32.6942 176.7014 77 P 4.1043 0.0000 0.0000 65.7411 31.2672 178.3932 78 N 4.5219 8.0522 113.1370 56.3279 38.6539 177.0196 79 A 4.1647 7.9037 120.7431 53.9706 18.5869 178.6804 80 L 4.6476 8.0849 116.5499 54.5727 42.2268 178.2614 81 S 4.3651 7.9848 118.0168 61.0945 62.6169 176.5166 82 A 3.9697 7.9405 123.7056 54.8334 18.1588 179.4918 83 L 4.0741 7.8956 117.0186 57.6892 41.7519 179.5383 84 S 4.0772 8.3455 113.5857 61.3751 62.3897 175.5885 85 D 4.2511 7.9981 120.7678 57.1613 40.9216 178.0535 86 L 3.9014 7.8519 120.6510 58.6849 42.2070 178.7183 87 H 4.4161 8.5955 115.9827 58.2008 28.5096 177.4799 88 A 4.2109 8.5772 124.3961 55.0481 19.0229 178.7414 *89 H 4.4441 7.8582 111.9753 56.7631 28.7630 178.3451 90 K 4.1628 7.8034 120.6806 59.0338 32.2835 178.1626 91 L 4.0918 8.5533 118.7974 55.5439 42.2988 177.3592 92 R 3.7785 8.0181 116.2792 57.0357 27.4305 176.9171 93 V 3.7744 7.8708 116.6046 62.2998 32.6031 174.9977 94 D 4.5325 9.2383 127.8565 53.6737 41.8146 175.1432 95 P 4.4213 0.0000 0.0000 65.7356 31.9886 178.7522 96 V 3.6665 8.5389 118.7417 65.0235 30.9994 178.2427 97 N 4.3163 8.3529 116.9013 55.9898 38.1907 177.3710 98 F 3.8914 8.2955 119.4706 60.1615 38.9577 177.8824 99 K 3.9924 8.0393 117.9003 59.2600 31.9023 179.2582 100 L 3.6331 7.6054 118.8361 57.6315 41.4352 179.3455 101 L 3.9083 7.8734 120.2723 58.1081 41.9938 179.0865 102 S 4.1153 8.2916 115.4018 61.8140 62.6966 176.1305 103 H 4.2233 8.2968 120.8185 59.6753 29.6696 177.1988 104 C 4.0924 8.2930 118.3666 62.5926 27.7894 176.1653 105 L 4.0712 8.1508 121.1370 57.6408 41.1368 179.4277 106 L 4.0130 8.0743 119.0148 57.7466 41.5796 179.6325 107 V 3.3630 7.8421 118.3317 66.2286 31.3467 178.2050 108 T 3.7016 7.7569 115.3125 66.5937 68.3041 176.6844 109 L 3.6958 7.9198 120.7591 57.5999 41.3975 179.4428 110 A 3.3373 7.2709 119.8123 54.7671 18.2294 179.3143 111 A 3.9029 7.6974 118.2330 54.6347 18.4498 178.5933 112 H 4.5464 7.4251 112.8598 55.6551 31.4709 175.3250 113 L 4.8545 8.0615 120.1675 52.1497 41.7958 175.0582 114 P 4.2381 0.0000 0.0000 65.8236 31.8885 178.5925 115 A 4.1675 8.0789 120.5800 54.7596 18.4267 178.4098 116 E 4.1473 8.1229 113.8286 58.9065 30.4220 177.5544 117 F 4.5005 8.0350 122.9634 57.3458 37.9163 174.8787 118 T 4.2649 7.2419 115.2897 60.3805 71.6920 173.7045 119 P 4.1172 0.0000 0.0000 65.6573 31.2968 178.8752 120 A 3.9369 7.8128 119.0215 55.1565 18.3244 179.7264 121 V 3.5129 7.6082 116.6155 66.1260 31.5822 177.6145 122 H 3.6406 8.2120 118.2303 59.1050 29.6303 177.0453 123 A 3.9670 7.8924 122.3467 55.3248 18.0947 179.8236 124 S 4.2079 8.1197 113.6059 61.8279 62.8418 176.9816 125 L 4.2015 8.3654 122.0832 57.7373 41.3448 179.1119 126 D 4.3956 8.3572 118.1185 57.3442 41.1768 178.4770 127 K 4.0066 8.1054 119.0282 59.2688 31.9529 179.0663 128 F 4.2064 8.5229 121.0877 61.5101 39.2853 177.2741 129 L 3.5640 8.2893 118.4787 57.4618 41.3266 179.3982 130 A 3.9260 8.0817 120.8921 55.2049 18.2901 179.9316 131 S 3.9601 8.1322 113.8016 61.5438 62.8333 176.9790 132 V 3.3513 7.5367 121.1129 66.0036 31.2802 178.1998 133 S 3.8223 8.0783 114.9891 61.8726 62.4407 176.8451 134 T 3.6831 7.5564 117.1143 66.4378 68.4382 176.5802 135 V 3.6555 7.5767 120.0659 66.0535 31.4348 178.0472 136 L 4.1780 7.8302 116.8532 56.5574 41.5215 178.2992 137 T 4.2120 7.0349 107.6633 60.5960 69.6382 174.2460 138 S 4.6311 7.1854 117.8445 57.1344 64.4776 173.9266 139 K 4.3714 8.5533 124.1839 55.3034 32.3075 175.4048 140 Y 4.7710 7.8391 122.4625 56.6001 38.6438 176.1220 141 R 4.1365 8.3080 124.7383 57.1093 30.0242 174.9274 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 V 8.05 4.04 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 0.98 0.00 0.00 0.91 0.00 0.00 2 L 8.35 4.35 0.00 1.78 1.60 1.07 0.71 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 3 S 9.94 4.54 0.00 4.02 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.22 0.00 2.17 2.14 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 5 A 7.95 4.05 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 6 D 8.01 4.52 0.00 3.01 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 7 K 8.00 3.92 0.00 1.96 1.84 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 8 T 7.79 3.89 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 9 N 8.34 4.31 0.00 2.88 2.86 0.00 0.00 6.67 7.41 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 10 V 8.01 3.51 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 0.00 0.00 0.89 0.00 0.00 11 K 8.09 3.97 0.00 1.97 1.84 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.54 7.81 12 A 8.00 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.24 4.12 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 14 W 8.85 4.21 0.00 3.42 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 15 G 8.19 3.70 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 0.00 0.00 0.00 16 K 7.79 4.19 0.00 1.90 1.88 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.61 7.81 17 V 7.44 3.39 1.13 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 0.36 0.00 0.00 -0.23 0.00 0.00 18 G 7.72 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.55 4.06 1.12 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 20 H 8.11 4.32 0.00 2.23 1.62 0.00 5.65 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 21 A 7.48 3.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.92 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 23 E 8.05 3.97 0.00 2.02 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 2.51 2.47 0.00 24 Y 8.49 4.38 0.00 2.94 2.93 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 25 G 8.77 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 26 A 8.50 4.08 1.45 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 0.00 0.00 0.00 27 E 8.49 3.89 0.00 2.20 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 2.30 2.35 0.00 28 A 8.31 3.98 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 29 L 7.78 3.51 0.00 1.90 1.51 1.04 0.52 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 30 E 8.30 4.10 0.00 2.13 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 2.36 2.45 0.00 31 R 8.34 3.91 0.00 2.01 1.93 0.00 3.13 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 32 M 7.95 4.18 0.00 1.78 1.94 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 33 F 7.99 4.55 0.00 3.10 2.96 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 34 L 7.93 4.07 0.00 1.90 1.65 0.96 0.77 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 35 S 7.97 4.06 0.00 3.28 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.19 4.98 0.00 3.15 2.94 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 37 P 0.00 4.55 0.00 2.21 2.19 0.00 3.95 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 38 T 8.18 4.02 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 1.29 0.00 0.00 39 T 8.47 4.29 4.44 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 1.38 0.00 0.00 40 K 8.46 4.24 0.00 2.02 1.88 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.75 7.81 41 T 7.82 3.95 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 42 Y 7.83 4.17 0.00 3.11 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 43 F 8.54 4.80 0.00 2.69 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.38 0.00 2.20 2.19 0.00 3.89 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 45 H 8.47 4.68 0.00 3.41 3.50 0.00 5.51 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.85 4.67 0.00 3.07 2.93 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 47 D 8.96 4.59 0.00 2.55 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 48 L 8.26 4.57 0.00 1.51 1.38 0.39 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.12 4.37 0.00 4.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 H 8.56 4.45 0.00 3.17 3.29 0.00 5.94 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.76 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 52 S 7.95 4.00 0.00 3.97 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 53 A 8.57 4.02 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.83 3.71 0.00 1.77 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.86 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 55 V 7.93 3.92 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.10 0.00 0.00 56 K 8.25 4.13 0.00 1.82 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.33 7.81 57 G 8.32 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 58 H 8.66 4.48 0.00 3.82 3.73 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 59 G 8.68 3.70 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 0.00 0.00 0.00 60 K 8.07 4.02 0.00 1.90 2.00 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.50 7.81 61 K 7.87 4.03 0.00 1.95 1.88 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.70 7.81 62 V 7.97 3.56 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 63 A 8.31 4.32 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.66 4.47 0.00 2.79 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 65 A 8.17 4.07 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 66 L 7.97 3.86 0.00 1.60 0.96 0.80 0.56 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 67 T 8.15 3.98 4.59 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 1.40 0.00 0.00 68 N 8.08 4.37 0.00 2.78 3.06 0.00 0.00 7.21 7.53 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 69 A 8.20 4.20 1.48 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 0.00 0.00 70 V 7.96 3.40 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 0.77 0.00 0.00 0.40 0.00 0.00 71 A 8.00 4.23 1.45 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 0.00 0.00 0.00 72 H 8.02 4.95 0.00 3.21 3.29 0.00 5.83 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.15 3.84 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 0.72 0.00 0.00 1.01 0.00 0.00 74 D 7.99 4.58 0.00 2.69 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 75 D 7.99 4.78 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 7.97 4.13 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.78 0.00 77 P 0.00 4.10 0.00 1.93 1.33 0.00 3.46 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 78 N 8.05 4.52 0.00 3.05 2.92 0.00 0.00 6.86 7.35 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 79 A 7.90 4.16 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.08 4.65 0.00 1.76 1.68 0.88 0.64 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 81 S 7.98 4.37 0.00 4.09 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 0.00 82 A 7.94 3.97 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 83 L 7.90 4.07 0.00 1.89 1.81 0.96 0.91 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 84 S 8.35 4.08 0.00 4.10 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.00 4.25 0.00 2.81 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 86 L 7.85 3.90 0.00 1.82 1.83 0.89 1.07 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 87 H 8.60 4.42 0.00 3.53 3.55 0.00 5.85 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 88 A 8.58 4.21 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 *89 H 7.86 4.44 0.00 2.94 2.98 0.00 7.20 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.80 4.16 0.00 1.71 2.04 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.39 7.81 91 L 8.55 4.09 0.00 1.65 1.74 0.73 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 8.02 3.78 0.00 1.99 2.02 0.00 3.23 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 93 V 7.87 3.77 2.33 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 0.32 0.00 0.00 0.77 0.00 0.00 94 D 9.24 4.53 0.00 2.86 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 95 P 0.00 4.42 0.00 2.21 2.04 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 96 V 8.54 3.67 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 0.89 0.00 0.00 97 N 8.35 4.32 0.00 2.76 2.70 0.00 0.00 6.97 8.04 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 98 F 8.30 3.89 0.00 3.24 3.06 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 0.00 0.00 0.00 99 K 8.04 3.99 0.00 1.90 1.81 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.54 7.81 100 L 7.61 3.63 0.00 1.63 1.14 0.62 -0.68 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 0.00 101 L 7.87 3.91 0.00 1.57 1.49 0.80 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.29 4.12 0.00 4.09 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 0.00 103 H 8.30 4.22 0.00 3.32 3.58 0.00 5.78 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 0.00 104 C 8.29 4.09 0.00 3.15 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 0.00 105 L 8.15 4.07 0.00 1.94 1.85 0.95 1.03 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 0.00 106 L 8.07 4.01 0.00 1.92 1.82 1.15 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.84 3.36 2.10 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 0.92 0.00 0.00 0.80 0.00 0.00 108 T 7.76 3.70 4.32 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 1.08 0.00 0.00 109 L 7.92 3.70 0.00 1.64 1.69 1.26 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.27 3.34 0.57 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 0.00 111 A 7.70 3.90 1.15 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 0.00 0.00 112 H 7.43 4.55 0.00 2.56 3.13 0.00 5.60 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.06 4.85 0.00 1.73 1.78 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.24 0.00 2.19 2.18 0.00 3.85 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 A 8.08 4.17 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 0.00 116 E 8.12 4.15 0.00 2.04 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 2.35 2.39 0.00 117 F 8.03 4.50 0.00 3.10 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.24 4.26 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 119 P 0.00 4.12 0.00 2.13 2.10 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 120 A 7.81 3.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.61 3.51 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 1.14 0.00 0.00 0.96 0.00 0.00 122 H 8.21 3.64 0.00 2.24 3.16 0.00 5.66 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 0.00 123 A 7.89 3.97 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 0.00 124 S 8.12 4.21 0.00 4.02 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 0.00 125 L 8.37 4.20 0.00 2.01 1.94 1.19 1.12 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 0.00 126 D 8.36 4.40 0.00 3.02 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 0.00 127 K 8.11 4.01 0.00 2.07 1.87 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.65 7.81 128 F 8.52 4.21 0.00 3.07 3.26 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 0.00 129 L 8.29 3.56 0.00 1.73 1.66 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.08 3.93 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 0.00 131 S 8.13 3.96 0.00 3.91 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 0.00 132 V 7.54 3.35 1.82 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 0.94 0.00 0.00 0.09 0.00 0.00 133 S 8.08 3.82 0.00 3.97 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 0.00 134 T 7.56 3.68 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 1.11 0.00 0.00 135 V 7.58 3.66 2.15 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 1.06 0.00 0.00 0.83 0.00 0.00 136 L 7.83 4.18 0.00 1.48 1.61 0.97 0.81 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 0.00 137 T 7.03 4.21 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 0.32 0.00 0.00 138 S 7.19 4.63 0.00 4.15 3.95 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 0.00 0.00 0.00 139 K 8.55 4.37 0.00 1.72 1.72 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.38 7.81 140 Y 7.84 4.77 0.00 3.13 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 0.00 141 R 8.31 4.14 0.00 1.89 2.15 0.00 3.39 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.