NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4181 8.3193 115.2922 58.6299 63.3865 173.4336 2 T 4.2287 8.4683 115.0799 61.6531 69.6469 173.5182 3 L 4.6514 9.1824 124.0618 55.5583 44.9777 177.7311 4 K 4.8020 8.0148 117.8108 55.7983 33.4445 176.9503 5 G 3.8431 7.7137 109.1352 46.4635 0.0000 171.6803 6 A 4.7869 8.0685 119.6263 50.7049 22.5193 176.0939 7 L 4.7674 9.1340 121.2337 53.6759 45.8755 175.0286 8 S 5.2159 8.7388 119.7617 56.4859 65.8569 173.1033 9 V 4.6711 8.9037 125.0581 59.7604 34.5766 174.1133 10 K 5.1674 8.6977 124.3514 54.8035 34.7373 174.6094 11 F 4.9309 8.3427 120.5711 56.4392 41.7407 172.2009 12 D 5.3290 8.8076 118.1379 52.5905 43.6779 176.2725 13 V 4.4287 8.3156 113.9869 59.4094 35.3174 177.3168 14 K 4.0337 9.3565 123.0159 59.4381 32.2779 178.0323 15 C 4.4740 8.3904 116.0423 58.9482 28.7921 172.5335 16 P 4.4538 0.0000 0.0000 62.0733 33.0290 177.7670 17 A 4.0713 8.4806 122.7974 55.5901 18.4480 179.9790 18 D 4.4343 8.1339 116.9085 57.4090 40.9614 178.8835 19 K 3.9872 8.0839 119.5266 59.4360 32.3798 178.3638 20 F 4.0160 8.4872 120.9777 61.2790 39.2872 176.7421 21 F 4.1821 8.9759 120.5536 61.5088 39.2160 177.1326 22 S 4.0172 8.5051 114.5478 61.5642 62.5917 176.4365 23 A 3.8855 8.0248 123.3479 55.1083 18.1606 179.4454 24 F 4.1618 7.7999 118.8443 61.4629 39.2804 177.2378 25 V 3.0501 7.2000 116.5557 66.0146 31.4647 177.2760 26 E 3.9286 8.1052 118.8494 59.2458 29.5144 178.2373 27 D 4.3353 8.2490 118.2932 57.0013 41.0355 177.7062 28 T 3.7360 7.1832 108.4802 63.2838 68.7303 175.6117 29 N 4.4088 7.7817 119.4280 54.6075 38.5573 174.8356 30 R 4.2320 7.1081 119.7932 53.7086 30.8651 174.7655 31 P 4.1441 0.0000 0.0000 62.8907 31.8074 176.4080 32 F 4.6028 8.4220 117.8688 57.9108 39.5974 175.3060 33 E 4.7390 7.6755 117.9277 54.5383 32.3037 175.6792 34 K 3.7619 8.8550 121.0489 59.6710 31.9735 177.2708 35 N 4.8422 8.0926 112.2745 52.8883 38.7245 175.1044 36 G 4.0269 7.8643 107.8594 44.8335 0.0000 173.6054 37 K 4.6719 8.8250 120.7661 54.7960 35.4020 175.5065 38 T 4.9856 8.6265 122.7921 61.8184 71.4827 173.0181 39 E 4.7365 9.2191 125.8491 54.4268 32.8627 175.2365 40 I 4.3248 8.4846 125.5187 61.3816 37.1958 175.4276 41 E 4.5701 9.4008 127.1986 57.5055 30.9360 176.5601 42 A 4.9103 7.8561 118.9446 50.6300 22.3218 176.1599 43 V 4.7878 8.2002 119.6065 60.5652 34.8679 173.5130 44 D 4.7089 9.5189 123.4001 52.7506 43.4738 175.8862 45 L 4.3628 8.9010 126.3231 56.5365 42.1691 178.5717 46 V 3.8916 7.9162 118.3862 65.0184 31.9547 177.8368 47 K 3.8590 8.2439 116.9439 56.9808 32.5960 176.7581 48 K 2.0000 7.0741 118.7553 57.3952 29.6086 173.4658 49 T 5.5034 7.1435 107.9660 59.0419 73.4051 173.8299 *51 T 4.8402 8.1987 116.5946 63.5193 70.1662 173.4409 52 I 5.0726 9.0992 119.5277 59.3791 41.2104 175.0753 53 Q 4.7920 9.0307 126.4454 54.8552 32.0211 173.8404 *55 S 4.8447 7.8018 113.7068 57.5516 64.9893 173.0112 56 G 4.6511 8.3197 112.5481 44.3150 0.0000 173.6603 57 S 4.1720 8.3652 116.3379 61.3111 63.0018 176.5455 58 E 4.1427 8.6726 122.1254 59.3002 29.3743 178.6765 59 I 3.8234 8.3307 118.5946 64.5597 36.9780 177.3754 60 Q 4.9359 8.1966 118.4937 56.9947 28.3355 178.2742 61 K 3.9900 8.1393 119.8733 58.5059 32.1388 177.0436 62 Y 4.0912 7.4189 112.9532 58.1142 40.1200 175.7188 63 F 5.2626 8.1932 118.3696 55.2404 41.8093 176.1007 64 K 4.1906 8.9842 125.6686 59.3591 32.7769 177.9422 65 T 4.7646 7.9971 115.7480 61.6888 72.7753 172.9108 66 L 5.1341 8.7175 127.3612 53.2478 44.8631 175.4443 67 K 4.9841 9.4932 125.6401 54.5275 36.2251 175.2736 68 G 3.9398 9.4003 110.0419 44.3405 0.0000 171.7363 69 S 5.2543 8.4622 120.8605 56.5751 65.9406 173.0151 70 I 5.3065 8.8166 123.5831 59.4557 41.1061 173.9131 71 A 5.0456 9.0484 128.7446 50.3416 22.2427 174.9321 72 V 4.8276 8.5834 123.2870 61.2589 33.6975 175.0650 73 T 4.7407 8.7656 117.4177 58.9772 72.2230 171.6570 74 P 4.6196 0.0000 0.0000 63.2235 31.6574 176.6523 75 I 3.5180 8.6319 125.5972 65.6227 37.3466 176.7850 76 G 4.1244 8.2008 107.4977 45.3870 0.0000 174.7047 77 V 4.0371 5.4500 124.7987 62.5119 34.0683 172.7116 78 G 3.9460 8.8226 115.9303 46.8616 0.0000 172.8944 79 D 4.6768 8.4204 117.3026 53.3602 42.5387 177.1429 80 G 4.0322 8.8015 105.7983 44.4033 0.0000 172.0616 81 S 4.9161 8.4172 113.6880 57.1046 67.7272 173.3143 82 H 4.9760 8.9068 120.8103 55.2103 30.3801 174.4392 83 V 4.3773 8.1978 122.7167 60.8433 34.1406 174.0959 84 V 4.7650 8.5896 128.2907 60.8566 33.7658 173.8898 85 W 5.3904 9.1755 135.0000 55.9360 33.6598 174.0403 86 T 4.6553 7.9194 123.3097 61.5892 71.7621 172.8239 87 F 5.0985 8.7419 125.8138 56.8260 40.8293 174.3587 88 H 5.1640 9.3201 122.0162 53.9814 30.8988 173.9232 89 F 5.3887 8.3631 117.5971 55.2294 42.1772 172.9259 90 E 5.3221 9.1868 120.6644 54.3805 31.9524 175.5567 91 K 4.7542 9.3631 127.2233 56.5066 32.5908 177.9347 92 V 3.9451 8.3464 117.0746 64.5204 32.0948 176.2392 93 H 4.9465 7.5953 113.5747 53.5467 31.3030 174.2069 94 K 4.0966 8.6558 119.0212 59.5598 32.4094 177.4838 95 D 4.6446 8.1167 117.3190 54.4210 41.3376 176.6089 96 I 3.6455 7.1997 120.9737 61.4942 37.4999 175.8762 97 D 4.5812 8.3888 124.3575 53.9097 41.4419 176.0813 98 D 4.3405 8.4100 121.6077 53.8638 42.0728 176.1308 99 P 4.5929 0.0000 0.0000 62.9488 28.7560 177.6119 100 H 4.1879 7.8477 118.3902 59.8102 29.3092 177.8189 101 S 4.1251 7.9981 116.3424 61.8046 62.7273 176.6591 102 I 3.7281 7.6751 121.9585 64.4442 36.8536 178.2284 103 I 4.0957 8.2680 119.6214 63.9604 37.8325 177.4321 104 D 4.3340 8.4285 119.2661 57.3714 40.9746 178.0330 105 E 3.9857 8.3759 119.0868 59.4581 29.3646 179.4996 106 S 3.7817 8.3409 115.4488 61.4303 62.8063 176.7157 107 V 3.2055 7.8333 120.8279 66.0211 31.1747 178.1665 108 K 3.8691 7.9525 117.9767 59.5259 31.7774 178.6817 109 Y 3.9830 8.0634 119.9522 60.8074 38.6596 178.2227 110 F 4.2442 8.3295 119.0680 60.5346 38.9927 177.8989 111 K 4.0969 8.4744 118.5611 59.2924 31.7156 179.6383 112 K 4.0117 8.1280 119.0311 59.0054 31.9262 179.0509 113 L 3.7740 7.9018 120.9495 58.1233 41.8875 178.3869 114 D 4.6276 8.5368 117.9476 57.8339 40.6675 178.2944 115 E 3.9873 8.3157 118.6710 59.1898 29.2430 179.1947 116 A 4.0574 8.3777 121.4363 54.9840 18.2793 179.3588 117 I 4.0145 7.6251 109.7140 62.9133 38.2321 177.6356 118 L 4.1419 8.1763 122.0764 57.5309 42.0351 177.6712 119 N 4.7932 7.7263 112.7985 53.3867 39.4623 175.2926 120 F 4.3373 7.9294 127.0996 58.3538 39.6933 174.6031 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 S 8.32 4.42 0.00 3.86 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.47 4.23 4.28 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 1.24 0.00 0.00 3 L 9.18 4.65 0.00 1.65 1.94 0.96 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 4 K 8.01 4.80 0.00 1.61 1.66 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.42 1.46 7.81 5 G 7.71 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.07 4.79 0.99 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 0.00 0.00 7 L 9.13 4.77 0.00 1.91 1.66 0.96 0.80 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 8 S 8.74 5.22 0.00 3.77 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 9 V 8.90 4.67 2.21 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 0.94 0.00 0.00 1.08 0.00 0.00 10 K 8.70 5.17 0.00 1.73 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.68 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.27 7.81 11 F 8.34 4.93 0.00 3.15 3.08 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 12 D 8.81 5.33 0.00 2.55 2.51 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 13 V 8.32 4.43 1.94 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 0.30 0.00 0.00 0.12 0.00 0.00 14 K 9.36 4.03 0.00 1.80 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.39 7.81 15 C 8.39 4.47 0.00 3.08 3.04 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 0.00 0.00 0.00 16 P 0.00 4.45 0.00 2.20 1.98 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 17 A 8.48 4.07 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 18 D 8.13 4.43 0.00 2.76 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 19 K 8.08 3.99 0.00 1.90 2.08 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.59 1.56 7.81 20 F 8.49 4.02 0.00 3.34 3.28 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 21 F 8.98 4.18 0.00 3.27 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 22 S 8.51 4.02 0.00 4.06 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 23 A 8.02 3.89 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 24 F 7.80 4.16 0.00 2.85 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.20 3.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.16 0.00 0.00 26 E 8.11 3.93 0.00 2.10 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 0.00 2.23 2.27 0.00 27 D 8.25 4.34 0.00 2.95 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 28 T 7.18 3.74 4.07 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 0.64 0.00 0.00 29 N 7.78 4.41 0.00 2.77 2.84 0.00 0.00 6.91 7.76 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 30 R 7.11 4.23 0.00 1.68 1.68 0.00 3.11 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 31 P 0.00 4.14 0.00 2.10 1.98 0.00 3.54 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 1.96 2.03 0.00 32 F 8.42 4.60 0.00 3.09 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 33 E 7.68 4.74 0.00 2.14 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 2.34 2.42 0.00 34 K 8.86 3.76 0.00 1.74 1.92 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.50 7.81 35 N 8.09 4.84 0.00 2.76 2.81 0.00 0.00 6.84 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.86 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 0.00 0.00 0.00 37 K 8.82 4.67 0.00 1.71 1.65 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.41 7.81 38 T 8.63 4.99 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 1.29 0.00 0.00 39 E 9.22 4.74 0.00 1.90 1.83 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 2.22 2.27 0.00 40 I 8.48 4.32 1.89 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 1.35 0.46 0.98 0.00 0.00 41 E 9.40 4.57 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 42 A 7.86 4.91 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 43 V 8.20 4.79 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 0.73 0.00 0.00 1.21 0.00 0.00 44 D 9.52 4.71 0.00 2.68 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 45 L 8.90 4.36 0.00 1.74 1.81 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.92 3.89 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 47 K 8.24 3.86 0.00 1.72 1.77 0.00 2.04 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.36 7.81 48 K 7.07 2.00 0.00 1.99 1.19 0.00 1.45 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.21 1.08 7.81 49 T 7.14 5.50 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 1.18 0.00 0.00 *51 T 8.20 4.84 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 52 I 9.10 5.07 2.03 0.00 0.00 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 1.66 1.41 1.04 0.00 0.00 53 Q 9.03 4.79 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.44 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 *55 S 7.80 4.84 0.00 4.11 4.10 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 56 G 8.32 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.37 4.17 0.00 4.04 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 58 E 8.67 4.14 0.00 2.41 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 2.37 2.50 0.00 59 I 8.33 3.82 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 1.09 0.00 0.00 60 Q 8.20 4.94 0.00 2.45 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 61 K 8.14 3.99 0.00 1.51 1.24 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.62 7.81 62 Y 7.42 4.09 0.00 2.65 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 0.00 0.00 0.00 63 F 8.19 5.26 0.00 3.16 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.98 4.19 0.00 1.83 1.93 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.62 7.81 65 T 8.00 4.76 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 1.31 0.00 0.00 66 L 8.72 5.13 0.00 1.51 1.50 0.16 0.20 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 67 K 9.49 4.98 0.00 1.71 1.67 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.38 7.81 68 G 9.40 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 69 S 8.46 5.25 0.00 3.66 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 70 I 8.82 5.31 2.49 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 1.50 0.00 0.00 71 A 9.05 5.05 1.19 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 0.00 0.00 72 V 8.58 4.83 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 0.92 0.00 0.00 1.25 0.00 0.00 73 T 8.77 4.74 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 1.16 0.00 0.00 74 P 0.00 4.62 0.00 1.92 1.99 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 75 I 8.63 3.52 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.11 0.83 0.00 0.00 76 G 8.20 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 5.45 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 0.73 0.00 0.00 0.92 0.00 0.00 78 G 8.82 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 79 D 8.42 4.68 0.00 2.68 2.64 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 80 G 8.80 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 0.00 0.00 0.00 81 S 8.42 4.92 0.00 3.39 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 82 H 8.91 4.98 0.00 2.94 3.02 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.20 4.38 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 0.29 0.00 0.00 0.22 0.00 0.00 84 V 8.59 4.76 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 0.92 0.00 0.00 0.86 0.00 0.00 85 W 9.18 5.39 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.92 4.66 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 0.85 0.00 0.00 87 F 8.74 5.10 0.00 2.96 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 9.32 5.16 0.00 2.94 3.07 0.00 5.57 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.36 5.39 0.00 2.87 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 90 E 9.19 5.32 0.00 2.11 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 0.00 2.28 2.34 0.00 91 K 9.36 4.75 0.00 1.76 1.83 0.00 1.92 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.76 7.81 92 V 8.35 3.95 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 0.64 0.00 0.00 0.81 0.00 0.00 93 H 7.60 4.95 0.00 3.29 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.66 4.10 0.00 1.93 2.04 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.51 7.81 95 D 8.12 4.64 0.00 2.78 2.79 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 96 I 7.20 3.65 1.73 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.53 0.52 0.00 0.00 97 D 8.39 4.58 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.41 4.34 0.00 2.73 2.57 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 99 P 0.00 4.59 0.00 2.03 1.87 0.00 3.45 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.37 0.00 100 H 7.85 4.19 0.00 3.22 3.41 0.00 5.62 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 0.00 101 S 8.00 4.13 0.00 3.82 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 0.00 102 I 7.68 3.73 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.85 0.00 0.00 103 I 8.27 4.10 2.34 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 1.64 1.44 1.08 0.00 0.00 104 D 8.43 4.33 0.00 2.96 2.79 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 0.00 105 E 8.38 3.99 0.00 2.22 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 2.54 2.49 0.00 106 S 8.34 3.78 0.00 4.09 3.38 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 0.00 107 V 7.83 3.21 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 0.47 0.00 0.00 0.81 0.00 0.00 108 K 7.95 3.87 0.00 1.99 1.83 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.65 7.81 109 Y 8.06 3.98 0.00 2.82 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 0.00 110 F 8.33 4.24 0.00 3.26 3.34 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 0.00 111 K 8.47 4.10 0.00 1.74 1.85 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.50 7.81 112 K 8.13 4.01 0.00 1.87 1.80 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 113 L 7.90 3.77 0.00 1.28 1.77 0.77 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.54 4.63 0.00 3.06 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 0.00 115 E 8.32 3.99 0.00 2.06 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 2.57 2.49 0.00 116 A 8.38 4.06 1.37 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 0.00 0.00 0.00 117 I 7.63 4.01 1.94 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 1.82 0.80 0.87 0.00 0.00 118 L 8.18 4.14 0.00 1.98 1.79 0.96 1.16 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 0.00 119 N 7.73 4.79 0.00 2.94 2.87 0.00 0.00 6.99 7.33 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 0.00 120 F 7.93 4.34 0.00 3.15 2.98 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 * Residues marked with a * may have inaccurate shift predictions.