NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 F 5.1007 8.3249 115.9769 56.9377 39.7218 173.5287 5 V 4.4789 8.9717 111.5018 59.3058 35.8906 173.3651 6 I 5.0994 8.4648 125.2305 59.8844 39.0441 174.8614 7 R 4.8580 8.8826 122.4983 53.7994 33.3748 172.8125 8 P 4.9705 0.0000 0.0000 62.5051 32.0677 176.3699 9 A 4.7119 8.9308 125.3353 52.2330 19.6169 176.5191 10 T 4.8074 9.7184 108.9786 58.9132 72.1701 175.0318 11 A 2.5874 7.9944 122.6653 54.9758 17.8020 179.7137 12 A 3.9036 7.1427 117.8001 55.1873 18.6959 178.9739 13 D 4.4485 8.0054 116.0600 55.9522 41.0376 177.9857 14 C 4.0082 7.9142 118.4482 62.9854 28.1913 176.0915 15 S 4.1489 7.8761 114.0043 61.5434 62.1491 175.8082 16 D 4.2264 7.8949 121.0895 57.2673 40.5262 178.5567 17 I 3.2763 7.7719 120.4037 64.2117 37.1062 178.2447 18 L 3.7678 7.6185 120.6239 57.9440 41.8640 178.8786 19 R 3.7855 7.6733 118.2569 59.4731 29.9196 178.5784 20 L 3.9478 7.7005 118.6962 57.6035 41.5118 179.3257 21 I 3.6553 7.5520 120.1435 64.5208 36.8300 178.6525 22 K 3.9180 7.7608 117.8210 59.2173 31.8472 179.1049 23 E 3.9301 7.4159 117.8801 59.1941 29.6866 178.7034 24 L 3.6274 7.2530 120.1757 57.6216 41.5419 179.8000 25 A 4.0946 7.9898 120.1571 52.4946 18.2208 178.5191 *27 Y 4.3166 7.8978 123.6982 58.8907 40.4893 175.3964 28 E 4.2823 8.0380 116.6488 55.6075 29.9602 175.2271 29 Y 3.3848 6.5459 117.0441 58.4497 34.9898 169.0276 *31 E 4.3338 7.7944 119.7558 56.0601 31.9921 178.5394 32 E 4.0786 8.1771 118.1341 57.9986 29.8460 176.8065 33 Q 4.2110 7.8423 115.4194 56.5392 29.3261 176.1157 34 V 3.8165 7.3666 118.3516 62.6152 30.0920 175.3094 35 I 4.2538 7.9187 126.7491 61.0829 38.1915 176.7602 36 L 4.3918 7.6604 120.4948 54.7234 42.2011 176.4560 37 T 4.7088 8.1362 111.1157 59.3978 73.1844 175.1106 38 E 3.9553 8.5835 120.1273 58.9932 29.3261 179.6624 39 K 3.9760 7.9310 119.7527 59.4826 32.4035 178.4643 40 D 4.3748 7.9995 119.1755 57.4537 40.9244 178.5597 41 L 4.2376 8.2822 119.8508 57.9725 41.5294 179.5311 42 L 4.2069 7.9335 119.8384 58.3025 41.8604 178.8697 43 E 4.1362 8.2967 117.5360 59.1859 29.5954 178.3730 44 D 4.9446 8.9962 117.7713 55.5095 41.2782 177.2966 45 G 3.2210 8.0016 106.0087 45.1648 0.0000 173.5165 46 F 4.6559 7.7195 118.5219 57.2460 39.9948 175.6474 *51 F 4.3516 8.1929 118.6194 57.0922 40.7448 174.1577 52 Y 5.0253 6.8284 116.6735 56.5161 40.6062 173.3711 53 H 4.6258 9.0515 116.5985 54.0534 32.5630 173.1118 54 C 5.3831 8.5862 117.9089 58.1188 32.2788 172.7970 55 L 5.3344 9.3567 122.3173 53.2586 44.4804 175.9628 56 V 5.0711 8.9684 114.6566 59.6201 36.2877 174.4644 57 A 5.0797 8.9020 125.8169 50.6187 20.6968 175.4062 58 E 5.0815 9.3381 124.4622 54.9476 32.0215 175.4493 59 V 4.9053 8.4581 119.7834 59.0126 33.8594 174.6726 60 P 4.3479 0.0000 0.0000 65.1337 31.5035 177.0489 *64 W 5.0189 7.6633 116.6523 56.2211 30.1829 175.0005 65 T 4.5526 8.4517 110.8443 60.4651 68.8377 173.5347 66 P 4.2517 0.0000 0.0000 65.3777 31.3275 177.2687 67 E 4.3371 8.2281 113.1936 56.1014 29.8722 176.4102 68 G 4.1530 8.5162 107.9149 46.1118 0.0000 173.2887 69 H 4.3685 8.1907 117.2298 54.8640 29.6389 176.0343 70 S 4.1732 7.8672 116.4651 58.3761 64.9162 173.1962 71 I 4.6266 7.4260 121.8978 60.1597 37.7199 175.7676 72 V 4.1268 8.2998 119.4649 60.7361 32.8411 175.5231 73 G 4.3024 7.7718 106.8127 45.8580 0.0000 172.1337 74 F 5.5571 9.0034 114.4157 56.3121 41.9586 172.9465 75 A 5.0304 9.1158 119.9745 50.0181 22.6685 174.3719 *77 Y 4.7949 8.3449 112.8983 57.8441 40.1952 173.1556 78 Y 4.8550 8.0808 116.4606 56.5367 41.9033 173.0879 79 F 5.5394 8.9640 118.2374 56.5263 41.1900 175.4478 80 T 5.0476 9.1383 111.6827 60.3838 72.7181 171.5056 81 Y 5.1487 8.5702 120.7673 56.1222 42.2386 173.7193 82 D 5.0108 8.3503 125.5707 51.8092 43.3788 175.1364 83 P 4.6950 0.0000 0.0000 64.8673 31.7975 177.5380 84 W 4.3365 9.1555 118.3295 58.3316 29.3226 177.0804 85 I 4.4994 8.1252 106.8825 59.8494 38.9345 175.9556 86 G 3.2290 8.2876 107.9124 43.6986 0.0000 172.6977 87 K 4.5841 8.4722 119.6954 57.0043 33.1873 176.3558 88 L 5.1467 9.2788 123.8629 52.8510 46.1657 174.9033 89 L 4.9403 8.4965 123.2865 53.6831 43.9029 174.8633 90 Y 4.5436 8.9801 127.6895 55.6251 41.2748 173.9096 91 L 4.4867 7.9751 129.8424 53.8941 42.0688 175.8240 92 E 4.3865 8.8568 128.1340 58.8126 30.2759 176.2815 93 D 4.8405 7.6318 116.1210 53.0646 45.0151 173.7814 94 F 5.0681 8.2954 123.3086 57.0845 42.4917 173.2392 95 F 4.4324 8.6385 127.2437 55.9453 43.0903 171.8581 96 V 3.9776 6.7307 124.8760 63.4221 33.7445 176.4875 *98 S 4.3985 8.9516 111.6116 58.5500 64.0943 175.1012 99 D 4.4939 8.1745 115.9285 55.9642 40.6339 176.3701 100 Y 4.4254 7.7989 116.1103 57.5568 38.7869 175.6163 101 R 3.9980 7.4329 119.4556 55.6592 31.0975 176.4326 102 G 3.9734 9.5485 109.1577 46.5645 0.0000 174.9258 103 F 3.2060 8.5249 122.5003 56.9312 38.7476 175.3850 104 G 4.5735 8.8034 118.8217 46.9562 0.0000 176.2133 105 I 3.1701 7.7691 121.0204 63.3060 37.2313 178.5473 106 G 3.7301 7.8333 105.8638 48.0419 0.0000 175.1920 107 S 4.2377 8.1468 115.3834 61.1975 62.4529 175.7633 108 E 4.0854 9.0014 122.3750 59.1883 29.3075 178.8174 109 I 3.7111 8.4238 120.4236 64.3887 37.1043 178.3445 110 L 3.8366 7.9796 119.7431 57.6430 41.3711 179.7900 111 K 3.9413 8.0893 118.5162 59.2945 31.9847 178.9591 112 N 4.5375 8.2577 118.7647 56.2570 38.9126 176.9274 113 L 3.7254 8.1403 120.7714 57.8719 41.3918 179.7382 114 S 4.0794 7.9793 114.5524 61.6033 62.6750 176.4531 115 Q 4.1157 7.9875 120.9106 58.7719 28.4219 178.8354 116 V 3.7110 7.8564 119.0890 65.7577 31.4722 179.1774 117 A 3.9653 7.9231 119.0967 52.5465 17.9773 179.3848 *119 R 4.1800 8.0133 122.0900 57.8780 32.0183 175.9356 120 C 4.3344 8.1913 110.0684 55.3628 42.2713 173.4115 121 R 3.7421 7.7716 118.1865 57.4415 27.0775 176.8814 122 C 5.1769 8.5758 114.7985 56.0773 40.8840 174.6167 123 S 4.3068 8.5860 118.3906 59.3707 64.3041 174.1921 124 S 4.2240 7.3422 116.8698 58.4743 67.3621 172.8375 *126 H 4.5892 8.7425 114.4822 55.9428 30.4028 172.1811 127 F 4.1662 6.9867 113.0253 56.5472 39.9230 172.8669 128 L 4.7539 8.5865 119.0022 53.0101 43.8987 176.4633 129 V 4.4843 7.9176 119.5904 60.6538 34.8970 175.1613 130 A 3.7249 8.3056 128.9653 51.7653 18.9257 178.0420 131 E 3.7965 7.9794 121.3941 59.0604 29.5328 178.4330 132 W 4.7108 6.6632 111.7641 56.6126 29.1658 177.1948 133 N 4.8327 7.7063 120.4527 52.7209 35.0694 174.8043 134 E 4.0649 8.1673 124.2831 58.6957 30.1727 176.9655 135 P 4.2774 0.0000 0.0000 65.8206 31.4434 178.8493 136 S 4.0057 8.0342 113.3845 61.3969 62.8189 176.4484 137 I 3.9359 8.2498 122.9900 64.7440 36.8197 178.2819 138 N 4.4189 8.7146 117.6120 56.0969 37.7043 177.1973 139 F 4.0046 8.2330 122.1053 61.6553 39.4595 176.9101 140 Y 4.4606 8.4505 116.6402 61.0941 37.7775 178.3902 141 K 4.1139 8.6964 119.8594 59.4683 31.9155 179.5001 142 R 4.0610 8.2001 117.5111 58.1662 29.9591 178.0817 143 R 4.4399 6.9748 116.5728 55.5675 30.5403 176.8374 144 G 3.9908 7.9867 107.0455 44.8334 0.0000 174.3207 145 A 4.2236 7.8458 122.7000 52.0669 18.9967 177.3291 146 S 4.6357 8.1434 114.1292 55.9434 65.9978 174.2046 147 D 4.5113 8.3508 121.6295 53.4638 41.4162 177.1086 148 L 4.0440 8.2444 128.4608 57.5956 41.6913 179.4812 149 S 4.2955 8.1037 114.9910 61.3343 62.4404 176.6441 150 S 4.0927 8.6273 118.2473 61.5497 62.6221 176.4631 151 E 3.9313 8.2617 120.1011 58.7470 29.3599 178.4374 152 E 4.3097 7.9230 114.8457 54.9230 30.3494 176.7755 153 G 3.8738 7.2340 106.5636 45.5330 0.0000 174.2978 154 W 4.5945 7.4868 118.8380 56.5493 29.6777 175.7753 155 R 4.7511 8.6798 120.2653 54.2037 32.8863 174.8151 156 L 4.3988 8.6765 124.4651 54.5378 42.7420 175.8392 157 F 4.8049 8.8524 124.3816 55.5487 41.7866 174.8528 158 K 4.6938 8.2788 120.2520 55.3134 35.3761 175.8822 159 I 4.4439 8.1863 121.0491 59.5903 39.4252 175.4237 160 D 4.7491 8.6828 125.6615 53.1076 42.0103 177.4484 161 K 3.8547 8.8692 120.4515 60.6964 31.8621 178.7140 162 E 3.9145 8.1365 118.0123 59.3166 29.0851 178.5165 163 Y 4.2146 7.6735 116.5648 60.3442 38.1100 177.5877 164 L 4.2043 7.8420 119.0539 57.6584 42.1419 178.7929 165 L 4.1977 8.3571 119.3882 57.7137 41.6387 180.3678 166 K 3.8458 7.6461 114.5941 57.3006 31.7138 178.5289 *168 A 4.2657 7.9196 124.2185 52.1748 20.1413 178.5913 169 T 4.2168 7.9245 102.6139 60.8943 69.6301 174.7577 170 E 4.1067 7.9160 126.9198 57.1337 30.0114 173.9854 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 4 F 8.32 5.10 0.00 3.21 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 5 V 8.97 4.48 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 0.75 0.00 0.00 1.10 0.00 0.00 6 I 8.46 5.10 1.98 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.97 0.99 0.00 0.00 7 R 8.88 4.86 0.00 1.91 2.04 0.00 2.84 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 8 P 0.00 4.97 0.00 2.06 2.13 0.00 3.76 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 2.11 2.20 0.00 9 A 8.93 4.71 1.49 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 10 T 9.72 4.81 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 1.27 0.00 0.00 11 A 7.99 2.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.14 3.90 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 13 D 8.01 4.45 0.00 2.88 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 14 C 7.91 4.01 0.00 3.01 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 15 S 7.88 4.15 0.00 3.83 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 16 D 7.89 4.23 0.00 2.83 2.58 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 17 I 7.77 3.28 1.78 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 1.57 1.07 0.62 0.00 0.00 18 L 7.62 3.77 0.00 1.71 1.71 0.88 0.61 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 19 R 7.67 3.79 0.00 1.84 1.96 0.00 2.98 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 20 L 7.70 3.95 0.00 1.40 1.87 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.55 3.66 1.86 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 1.51 0.31 0.86 0.00 0.00 22 K 7.76 3.92 0.00 1.78 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.52 7.81 23 E 7.42 3.93 0.00 1.61 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 2.30 2.39 0.00 24 L 7.25 3.63 0.00 1.26 1.67 1.05 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.99 4.09 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 *27 Y 7.90 4.32 0.00 2.91 3.20 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 0.00 28 E 8.04 4.28 0.00 2.04 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 2.57 2.50 0.00 29 Y 6.55 3.38 0.00 3.23 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 *31 E 7.79 4.33 0.00 2.14 2.22 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 2.26 2.30 0.00 32 E 8.18 4.08 0.00 1.96 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 2.30 2.33 0.00 33 Q 7.84 4.21 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 34 V 7.37 3.82 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 0.71 0.00 0.00 0.95 0.00 0.00 35 I 7.92 4.25 1.86 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 1.40 0.92 0.90 0.00 0.00 36 L 7.66 4.39 0.00 1.59 1.56 0.85 0.81 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 37 T 8.14 4.71 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 38 E 8.58 3.96 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 2.54 2.33 0.00 39 K 7.93 3.98 0.00 1.82 1.80 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.54 7.81 40 D 8.00 4.37 0.00 2.92 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 41 L 8.28 4.24 0.00 1.93 1.96 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.93 4.21 0.00 2.03 1.76 0.88 0.74 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 43 E 8.30 4.14 0.00 2.06 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 2.39 2.72 0.00 44 D 9.00 4.94 0.00 2.96 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 45 G 8.00 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 0.00 0.00 0.00 46 F 7.72 4.66 0.00 3.03 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 *51 F 8.19 4.35 0.00 3.18 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 52 Y 6.83 5.03 0.00 3.03 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 53 H 9.05 4.63 0.00 1.40 2.68 0.00 5.59 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 54 C 8.59 5.38 0.00 3.07 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 55 L 9.36 5.33 0.00 1.66 1.65 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.97 5.07 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 0.90 0.00 0.00 1.01 0.00 0.00 57 A 8.90 5.08 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 0.00 0.00 0.00 0.00 0.00 58 E 9.34 5.08 0.00 2.08 1.88 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 2.32 2.44 0.00 59 V 8.46 4.91 2.32 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 0.89 0.00 0.00 1.14 0.00 0.00 60 P 0.00 4.35 0.00 2.11 2.16 0.00 3.87 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 2.10 2.19 0.00 *64 W 7.66 5.02 0.00 3.31 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 65 T 8.45 4.55 4.45 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 1.27 0.00 0.00 66 P 0.00 4.25 0.00 2.11 2.22 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 67 E 8.23 4.34 0.00 2.03 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 1.99 2.17 0.00 68 G 8.52 4.15 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 0.00 69 H 8.19 4.37 0.00 3.13 3.02 0.00 5.62 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.87 4.17 0.00 3.75 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 71 I 7.43 4.63 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.81 0.89 0.00 0.00 72 V 8.30 4.13 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 -0.26 0.00 0.00 0.62 0.00 0.00 73 G 7.77 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 0.00 0.00 0.00 0.00 74 F 9.00 5.56 0.00 3.29 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 75 A 9.12 5.03 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 0.00 0.00 0.00 0.00 0.00 *77 Y 8.34 4.79 0.00 3.06 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 78 Y 8.08 4.86 0.00 3.13 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 79 F 8.96 5.54 0.00 3.17 3.17 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 0.00 0.00 0.00 80 T 9.14 5.05 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 1.44 0.00 0.00 81 Y 8.57 5.15 0.00 2.95 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 82 D 8.35 5.01 0.00 2.65 2.37 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 83 P 0.00 4.69 0.00 2.07 2.14 0.00 4.19 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 2.33 2.29 0.00 84 W 9.16 4.34 0.00 3.52 3.14 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 85 I 8.13 4.50 1.87 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 1.54 0.61 0.99 0.00 0.00 86 G 8.29 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 0.00 0.00 0.00 87 K 8.47 4.58 0.00 1.76 1.84 0.00 1.56 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.75 7.81 88 L 9.28 5.15 0.00 1.58 1.48 0.69 0.35 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 89 L 8.50 4.94 0.00 1.73 1.53 0.45 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 8.98 4.54 0.00 3.04 2.35 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 91 L 7.98 4.49 0.00 1.42 1.33 0.75 0.45 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 92 E 8.86 4.39 0.00 2.09 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 0.00 2.56 2.56 0.00 93 D 7.63 4.84 0.00 2.80 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 94 F 8.30 5.07 0.00 2.61 2.78 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 95 F 8.64 4.43 0.00 3.06 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 96 V 6.73 3.98 1.50 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 0.62 0.00 0.00 0.51 0.00 0.00 *98 S 8.95 4.40 0.00 3.96 3.90 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 99 D 8.17 4.49 0.00 2.62 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.80 4.43 0.00 2.86 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 0.00 101 R 7.43 4.00 0.00 1.70 1.64 0.00 2.81 0.00 0.00 2.74 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.45 0.00 102 G 9.55 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 0.00 103 F 8.52 3.21 0.00 3.11 3.39 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 0.00 104 G 8.80 4.57 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 0.00 105 I 7.77 3.17 1.52 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.31 0.58 0.00 0.00 106 G 7.83 3.73 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 0.00 0.00 0.00 107 S 8.15 4.24 0.00 3.97 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 0.00 108 E 9.00 4.09 0.00 2.53 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 2.60 2.54 0.00 109 I 8.42 3.71 2.12 0.00 0.00 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 1.57 0.70 0.69 0.00 0.00 110 L 7.98 3.84 0.00 1.81 1.64 0.79 0.58 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 0.00 111 K 8.09 3.94 0.00 1.96 1.86 0.00 1.86 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.78 7.81 112 N 8.26 4.54 0.00 2.87 2.93 0.00 0.00 6.82 6.26 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 0.00 113 L 8.14 3.73 0.00 1.63 1.42 0.54 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.98 4.08 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 7.99 4.12 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 116 V 7.86 3.71 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 1.02 0.00 0.00 0.89 0.00 0.00 117 A 7.92 3.97 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 R 8.01 4.18 0.00 1.85 2.05 0.00 3.38 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 120 C 8.19 4.33 0.00 2.94 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 0.00 121 R 7.77 3.74 0.00 1.97 2.05 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 122 C 8.58 5.18 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 0.00 123 S 8.59 4.31 0.00 3.97 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 0.00 124 S 7.34 4.22 0.00 3.90 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 *126 H 8.74 4.59 0.00 3.17 3.09 0.00 5.90 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 6.99 4.17 0.00 2.67 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 0.00 128 L 8.59 4.75 0.00 1.71 1.64 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.92 4.48 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 0.95 0.00 0.00 1.19 0.00 0.00 130 A 8.31 3.72 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 0.00 131 E 7.98 3.80 0.00 1.79 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 0.00 2.19 2.28 0.00 132 W 6.66 4.71 0.00 3.43 3.40 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 0.00 133 N 7.71 4.83 0.00 2.74 2.84 0.00 0.00 7.18 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 0.00 134 E 8.17 4.06 0.00 2.11 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 2.51 2.43 0.00 135 P 0.00 4.28 0.00 2.16 2.07 0.00 3.67 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 2.23 2.24 0.00 136 S 8.03 4.01 0.00 4.07 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 0.00 137 I 8.25 3.94 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.92 0.99 0.00 0.00 138 N 8.71 4.42 0.00 2.82 2.91 0.00 0.00 6.70 7.78 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 0.00 139 F 8.23 4.00 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 8.45 4.46 0.00 3.23 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 0.00 141 K 8.70 4.11 0.00 1.94 1.91 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.72 7.81 142 R 8.20 4.06 0.00 1.85 1.92 0.00 3.15 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 143 R 6.97 4.44 0.00 2.00 1.85 0.00 2.35 0.00 0.00 2.92 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.35 0.00 144 G 7.99 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 0.00 0.00 0.00 145 A 7.85 4.22 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 0.00 146 S 8.14 4.64 0.00 3.91 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 0.00 147 D 8.35 4.51 0.00 2.71 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 0.00 148 L 8.24 4.04 0.00 1.72 1.89 0.70 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.10 4.30 0.00 4.02 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 0.00 150 S 8.63 4.09 0.00 3.98 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 0.00 151 E 8.26 3.93 0.00 1.95 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 2.47 2.46 0.00 152 E 7.92 4.31 0.00 1.72 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 2.14 2.23 0.00 153 G 7.23 3.87 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 0.00 0.00 0.00 154 W 7.49 4.59 0.00 3.31 3.13 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 0.00 0.00 0.00 155 R 8.68 4.75 0.00 2.20 1.98 0.00 3.42 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 156 L 8.68 4.40 0.00 1.66 1.62 0.98 0.76 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 0.00 157 F 8.85 4.80 0.00 3.00 2.99 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 0.00 158 K 8.28 4.69 0.00 1.83 1.74 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.46 7.81 159 I 8.19 4.44 1.93 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 1.42 0.74 1.02 0.00 0.00 160 D 8.68 4.75 0.00 2.87 2.65 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 0.00 161 K 8.87 3.85 0.00 1.96 2.09 0.00 1.49 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.50 7.81 162 E 8.14 3.91 0.00 1.93 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 2.13 1.47 0.00 163 Y 7.67 4.21 0.00 3.23 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 0.00 164 L 7.84 4.20 0.00 1.78 1.75 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.36 4.20 0.00 1.88 1.70 0.88 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 0.00 166 K 7.65 3.85 0.00 2.00 1.88 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.63 7.81 *168 A 7.92 4.27 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 0.00 169 T 7.92 4.22 4.24 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 0.00 0.00 1.24 0.00 0.00 170 E 7.92 4.11 0.00 2.19 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 2.24 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.