NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 N 4.2721 8.4093 119.1873 53.4483 39.7355 173.1273 *45 Y 4.9878 7.8670 120.8547 57.1039 40.0924 173.4240 46 S 5.1985 9.0687 113.8526 57.2149 66.8582 172.1774 47 Y 5.4024 8.0624 116.9102 56.2478 40.9304 173.5456 48 K 4.6143 9.3472 121.1121 54.5868 35.6244 174.6660 49 K 4.7550 8.9989 128.8804 55.6822 33.5286 176.1436 50 I 4.4036 8.6825 128.2122 59.9486 39.8641 176.8684 51 G 3.7444 8.1268 118.3163 46.9241 0.0000 172.5616 52 N 4.6664 8.7961 123.2615 52.3797 37.7352 173.9075 53 K 5.1459 7.8749 118.4210 55.0233 36.4567 174.4648 54 Y 5.2535 9.2051 119.9928 56.4286 41.2954 174.8143 55 I 4.7040 9.1424 125.8440 60.1973 38.9067 174.7930 56 V 4.5801 9.0878 128.4214 61.0629 33.8348 174.2478 57 S 5.1787 9.1794 124.0338 56.6718 63.5355 173.1116 58 I 4.4598 8.6143 128.8730 60.8847 37.6636 176.4814 59 N 4.5472 8.7705 122.8269 52.8695 39.0700 174.7835 60 N 4.3513 8.4893 119.0051 54.9966 39.6330 174.5074 61 H 4.4216 8.2922 117.1199 56.9985 27.0954 174.8355 62 T 4.5932 7.1297 115.9146 61.5130 70.8619 173.4768 63 E 4.5705 8.5443 125.4369 55.8675 30.5007 177.6874 64 I 3.6749 8.8282 129.1637 64.3140 37.1323 178.7516 65 V 3.4463 7.8997 118.6541 65.6926 31.4093 177.5586 66 K 3.7832 8.5902 119.5513 59.7152 31.9214 178.4761 67 A 4.1201 8.0855 120.7088 55.2463 18.3341 179.6606 68 L 3.8270 8.2514 117.9471 57.7691 41.5680 179.4319 69 N 4.2704 8.3843 116.4540 56.2437 38.5036 177.1955 70 A 3.9915 8.2860 122.3865 55.1270 18.4811 179.3950 71 F 3.6540 8.3935 120.7425 61.0315 39.3677 177.1837 72 C 3.9577 8.1246 116.2269 62.5821 27.7230 176.3578 73 K 3.9065 8.1804 120.3003 59.5495 31.4579 179.3501 74 E 3.9301 8.3200 117.9329 58.3937 29.4654 178.4531 75 K 4.0767 7.4582 116.1409 54.7825 32.8378 176.3691 76 G 3.8483 7.3413 107.4760 46.4040 0.0000 174.3577 77 I 4.0488 7.6560 120.1856 60.3954 37.9918 176.8107 78 L 4.1861 8.7280 126.2994 57.4250 42.0225 177.1107 79 S 4.9274 6.3299 109.7558 57.5283 65.6152 174.5150 80 G 3.4578 7.2100 106.2765 45.2134 0.0000 171.0173 81 S 5.2187 7.3155 112.3856 56.5676 67.1166 173.0496 82 I 5.1801 8.5968 120.6800 59.8903 40.9510 174.3274 83 N 6.1223 8.8574 122.7324 50.5796 43.6116 174.4094 84 G 3.8692 7.9854 106.5753 46.7857 0.0000 170.8848 85 I 5.0333 7.4488 112.2425 58.8347 41.8782 175.3049 86 G 3.6801 6.7487 107.1255 45.7820 0.0000 170.8294 87 A 5.1824 7.9532 120.0399 50.1018 22.4449 175.7984 88 I 5.1272 8.3108 112.5468 59.3831 41.3452 175.6438 89 G 4.2901 9.1518 109.1980 45.5358 0.0000 172.2958 90 E 5.2335 7.8539 120.2997 55.0864 33.4666 173.3953 91 L 5.2588 9.0492 127.0165 53.9784 46.3658 174.5706 92 T 5.2689 9.3402 122.3858 61.8953 71.6696 172.9502 93 L 5.2661 9.1080 126.2794 52.9074 45.2490 175.2948 94 R 5.1887 8.8404 122.4222 54.5755 32.4270 174.7757 95 F 4.7522 9.6627 128.6922 56.4684 41.8606 173.2850 96 F 5.2090 8.2606 128.7596 56.6777 41.0696 174.3776 97 N 4.5701 8.5741 126.1134 51.1562 39.0262 173.6758 98 P 3.7368 0.0000 0.0000 65.7351 31.9050 179.0307 99 K 4.0809 8.2852 120.7756 57.4763 31.6007 182.7948 100 T 4.2642 7.8151 106.8278 60.6427 69.6691 175.5204 101 K 3.8248 8.1433 120.0703 56.6701 30.4723 175.7672 102 A 4.4713 7.6368 121.7207 52.2022 19.5055 176.7596 103 Y 5.4545 8.0416 117.0335 55.3927 41.7023 173.8529 104 D 4.9285 9.5040 121.4935 52.6552 44.2289 174.0261 105 D 5.4818 8.9302 125.8134 52.7193 42.7805 175.2884 106 K 4.4368 9.1183 126.2397 54.7642 34.5867 174.8017 107 T 5.0200 8.2529 123.7127 61.9676 70.5364 173.5414 108 F 4.6805 9.4306 126.0530 56.1252 41.3001 175.4276 109 R 5.2508 8.2943 122.1286 53.2842 30.6556 173.9600 110 E 4.7631 8.4196 119.0409 55.4185 33.5851 175.3472 111 Q 4.6321 8.5023 121.5643 55.0854 30.6697 174.5937 *113 E 4.2156 8.4579 120.5825 56.1575 31.7291 175.3475 114 I 4.5118 8.8501 126.2426 61.0980 37.1699 176.8368 115 S 4.3918 8.8006 123.7899 60.7962 64.0541 174.4565 116 N 4.8511 7.8463 116.8484 52.4126 42.3956 172.7124 117 L 5.2413 8.9521 128.1468 53.5897 45.2571 174.9367 118 T 5.1489 8.6173 122.2408 62.0937 72.0813 173.5091 119 G 4.2809 8.6643 112.4383 45.8716 0.0000 171.1702 120 N 5.7146 9.0657 116.2768 51.2572 41.5136 173.4199 121 I 5.2121 8.6886 120.2901 60.0676 40.7602 175.4149 122 S 5.1219 8.7971 119.3695 58.3300 66.3078 171.4536 123 S 5.4182 8.5692 114.3076 56.6932 66.5326 174.2980 *125 N 4.2909 8.5171 110.6973 53.9238 39.6208 175.5237 126 E 3.9391 8.4022 114.6868 56.8240 28.1708 174.6528 127 Q 4.4318 7.4172 117.8856 54.0952 30.0458 175.1501 128 V 3.9769 8.3811 121.6976 64.1242 32.3059 174.4950 129 Y 4.5255 9.1739 127.8489 55.9543 41.5347 173.6679 130 L 5.1761 8.2265 126.6477 53.4054 44.0940 175.7913 131 H 4.8833 9.1660 122.5286 54.5313 32.5655 171.9068 132 L 5.1835 8.5913 125.5263 53.2633 45.2553 175.7003 133 H 5.5679 9.2494 120.1479 54.3971 32.8574 172.5882 134 I 5.0969 8.5981 118.2799 60.3596 42.0155 173.3251 135 T 5.1960 9.1403 123.9443 61.9348 71.8460 173.5334 136 V 4.9228 9.0407 118.7222 59.5099 36.2672 174.5318 137 G 4.3132 8.9464 110.1912 44.7686 0.0000 174.1626 138 R 4.4363 8.5756 123.9098 54.5757 31.8669 177.4311 139 S 3.8292 8.3751 112.5421 60.8570 62.9924 174.5269 140 D 4.5274 7.7979 118.9222 52.8565 39.3334 176.8271 141 Y 3.6635 7.5092 116.2209 58.3752 36.7118 170.0384 142 S 4.2415 8.2854 115.4614 58.2428 63.7419 172.8352 143 A 5.1723 8.2970 124.0005 50.6245 20.7048 176.1791 144 L 4.8715 8.5790 120.3788 53.1634 45.2916 175.5134 145 A 5.0057 7.8343 121.3829 50.5469 22.3799 177.0369 146 G 3.8324 7.9088 106.1984 46.2146 0.0000 170.2342 147 H 4.5820 8.0707 120.2857 55.7933 30.9544 175.2176 148 L 4.4563 8.7917 129.2550 54.9330 42.0149 175.9631 149 L 4.5498 8.6806 126.6590 56.4473 43.2938 176.8115 150 S 4.8519 7.7206 110.1426 57.8411 66.3594 173.7350 151 A 4.9600 9.2715 120.7921 51.2261 23.1708 175.3208 152 I 4.7736 8.4210 123.3542 59.3609 39.3250 175.2951 153 Q 4.4239 9.0014 129.8531 56.5728 30.1292 175.2174 154 N 4.9392 9.3083 124.3713 49.0588 39.0027 173.2483 155 G 3.8769 8.5256 117.1947 44.2345 0.0000 171.6949 156 A 4.4837 8.3402 128.7108 51.1485 21.5101 176.9106 157 G 4.6525 8.1775 105.9542 46.2431 0.0000 172.1197 158 E 4.9781 8.5773 127.8262 54.0421 32.3538 175.3259 159 F 5.2775 9.1715 123.6096 55.4076 43.4743 174.4525 160 V 4.6814 8.8953 122.5491 61.2737 33.7490 174.4354 161 V 4.7301 8.9537 128.9449 61.2708 33.5806 173.7135 162 E 4.8528 8.9754 130.2283 55.1038 31.2792 174.0828 163 D 5.1993 8.9665 127.7630 53.2571 41.6496 175.7729 164 Y 4.5161 8.9674 124.2644 57.9355 39.2651 176.2192 165 S 3.9828 8.5313 114.5006 59.2492 61.0417 172.3423 166 E 4.6224 7.7814 118.3645 54.4821 32.9406 175.9157 167 R 4.1515 8.6274 124.6188 56.3115 31.0113 175.5824 168 I 4.7123 8.2477 124.5439 60.0615 41.4117 174.1611 169 S 5.8978 8.7842 120.7911 55.9546 65.7077 172.3627 170 R 5.1048 8.3070 120.3164 54.5669 33.9700 175.1829 171 T 4.6486 8.6171 116.9882 61.6132 72.4989 173.0495 172 Y 4.5801 8.7113 127.3679 57.8417 40.3425 173.8932 173 N 4.7609 8.5900 126.5623 51.1492 39.5635 173.6635 174 P 3.9567 0.0000 0.0000 65.4985 31.9223 177.7042 175 D 4.4571 7.9325 118.3621 56.9262 40.8235 177.4484 176 L 4.1960 7.9780 117.3705 54.9115 42.2155 177.2293 177 G 4.0767 8.1330 105.8942 45.9516 0.0000 172.9900 178 L 4.7298 7.1037 117.2499 52.4592 46.3367 175.5596 179 N 5.1198 8.6420 119.0889 52.4092 39.3212 174.4743 180 I 4.3418 8.1357 125.1973 58.9883 40.1611 175.1195 181 Y 4.5105 8.3232 122.7372 59.0838 38.1631 176.5126 182 D 4.3523 8.8636 121.9992 52.5297 42.0665 175.6162 183 F 4.6189 8.1857 124.3711 59.3284 39.3836 176.6474 184 E 4.3468 7.8134 117.7887 56.7532 29.8973 176.5573 185 R 4.1780 7.5997 119.5570 56.2095 29.7465 176.1765 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 43 N 8.41 4.27 0.00 2.60 2.72 0.00 0.00 6.99 6.66 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 *45 Y 7.87 4.99 0.00 3.24 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 46 S 9.07 5.20 0.00 3.91 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 47 Y 8.06 5.40 0.00 3.20 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 48 K 9.35 4.61 0.00 1.83 1.71 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.38 7.81 49 K 9.00 4.75 0.00 2.16 1.81 0.00 1.95 0.00 0.00 1.76 0.00 0.00 2.62 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 0.86 7.81 50 I 8.68 4.40 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 1.24 0.62 0.90 0.00 0.00 51 G 8.13 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.80 4.67 0.00 3.07 3.05 0.00 0.00 5.72 7.20 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 53 K 7.87 5.15 0.00 1.80 1.71 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.38 7.81 54 Y 9.21 5.25 0.00 2.82 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 55 I 9.14 4.70 1.94 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 1.16 1.02 0.93 0.00 0.00 56 V 9.09 4.58 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 0.59 0.00 0.00 -0.01 0.00 0.00 57 S 9.18 5.18 0.00 3.94 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 58 I 8.61 4.46 2.26 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.85 1.03 0.00 0.00 59 N 8.77 4.55 0.00 2.74 2.77 0.00 0.00 6.92 8.00 0.00 0.00 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 N 8.49 4.35 0.00 2.73 2.53 0.00 0.00 7.02 7.89 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 61 H 8.29 4.42 0.00 3.40 3.37 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.13 4.59 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 1.25 0.00 0.00 63 E 8.54 4.57 0.00 2.01 1.84 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 2.48 2.34 0.00 64 I 8.83 3.67 1.83 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 1.44 0.52 0.55 0.00 0.00 65 V 7.90 3.45 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 1.07 0.00 0.00 0.91 0.00 0.00 66 K 8.59 3.78 0.00 1.94 2.04 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 67 A 8.09 4.12 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 68 L 8.25 3.83 0.00 1.52 1.58 0.42 0.14 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 69 N 8.38 4.27 0.00 2.93 2.83 0.00 0.00 6.89 7.61 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 70 A 8.29 3.99 1.53 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 0.00 0.00 71 F 8.39 3.65 0.00 2.41 2.90 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 72 C 8.12 3.96 0.00 3.10 2.91 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 73 K 8.18 3.91 0.00 1.89 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.61 7.81 74 E 8.32 3.93 0.00 1.73 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 2.54 2.56 0.00 75 K 7.46 4.08 0.00 0.99 1.33 0.00 1.40 0.00 0.00 0.80 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 G 7.34 3.85 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 0.00 77 I 7.66 4.05 1.81 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 1.32 0.40 0.95 0.00 0.00 78 L 8.73 4.19 0.00 1.68 1.77 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 79 S 6.33 4.93 0.00 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 0.00 80 G 7.21 3.46 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 0.00 81 S 7.32 5.22 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.60 5.18 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.99 0.86 0.00 0.00 83 N 8.86 6.12 0.00 2.64 2.68 0.00 0.00 6.64 7.06 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 84 G 7.99 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 85 I 7.45 5.03 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.04 0.90 0.00 0.00 86 G 6.75 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 87 A 7.95 5.18 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 88 I 8.31 5.13 2.14 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 1.30 0.94 0.97 0.00 0.00 89 G 9.15 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 0.00 0.00 0.00 0.00 90 E 7.85 5.23 0.00 2.06 1.77 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 2.33 2.44 0.00 91 L 9.05 5.26 0.00 1.84 1.60 1.00 0.44 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 92 T 9.34 5.27 4.27 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 1.29 0.00 0.00 93 L 9.11 5.27 0.00 1.76 1.67 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.84 5.19 0.00 1.86 1.80 0.00 3.18 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 95 F 9.66 4.75 0.00 3.24 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 96 F 8.26 5.21 0.00 2.90 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 97 N 8.57 4.57 0.00 2.76 2.64 0.00 0.00 6.61 7.25 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 98 P 0.00 3.74 0.00 2.15 2.18 0.00 3.64 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 99 K 8.29 4.08 0.00 1.81 1.76 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.25 7.81 100 T 7.82 4.26 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 1.19 0.00 0.00 101 K 8.14 3.82 0.00 2.03 2.22 0.00 1.97 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.61 7.81 102 A 7.64 4.47 1.23 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 0.00 103 Y 8.04 5.45 0.00 3.08 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 0.00 104 D 9.50 4.93 0.00 2.89 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 0.00 105 D 8.93 5.48 0.00 2.64 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 0.00 106 K 9.12 4.44 0.00 1.73 1.60 0.00 1.45 0.00 0.00 1.52 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.99 7.81 107 T 8.25 5.02 4.17 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 1.26 0.00 0.00 108 F 9.43 4.68 0.00 2.98 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 0.00 109 R 8.29 5.25 0.00 1.66 1.85 0.00 3.25 0.00 0.00 3.27 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 110 E 8.42 4.76 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 2.19 2.17 0.00 111 Q 8.50 4.63 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 *113 E 8.46 4.22 0.00 1.96 1.91 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 2.28 2.31 0.00 114 I 8.85 4.51 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 1.02 0.00 0.00 115 S 8.80 4.39 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.85 4.85 0.00 2.77 2.67 0.00 0.00 6.66 6.66 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 0.00 117 L 8.95 5.24 0.00 1.91 1.71 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.62 5.15 4.27 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 1.23 0.00 0.00 119 G 8.66 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 0.00 0.00 0.00 0.00 120 N 9.07 5.71 0.00 2.97 2.99 0.00 0.00 7.21 7.97 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 0.00 121 I 8.69 5.21 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.26 0.92 0.00 0.00 122 S 8.80 5.12 0.00 4.22 4.26 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 0.00 123 S 8.57 5.42 0.00 3.95 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 *125 N 8.52 4.29 0.00 2.84 2.91 0.00 0.00 6.91 7.66 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 0.00 126 E 8.40 3.94 0.00 2.13 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 2.21 2.32 0.00 127 Q 7.42 4.43 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 128 V 8.38 3.98 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 0.76 0.00 0.00 0.91 0.00 0.00 129 Y 9.17 4.53 0.00 3.03 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 5.18 0.00 1.43 1.50 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 131 H 9.17 4.88 0.00 3.30 3.33 0.00 5.54 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.59 5.18 0.00 1.61 1.51 0.84 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 133 H 9.25 5.57 0.00 3.00 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 8.60 5.10 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.39 0.94 0.00 0.00 135 T 9.14 5.20 4.26 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 1.27 0.00 0.00 136 V 9.04 4.92 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 0.70 0.00 0.00 0.79 0.00 0.00 137 G 8.95 4.31 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 0.00 138 R 8.58 4.44 0.00 1.97 1.81 0.00 3.00 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 139 S 8.38 3.83 0.00 3.84 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 0.00 140 D 7.80 4.53 0.00 2.81 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 0.00 141 Y 7.51 3.66 0.00 3.20 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 0.00 142 S 8.29 4.24 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.30 5.17 1.23 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 0.00 144 L 8.58 4.87 0.00 1.33 1.30 -0.10 0.82 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 0.00 145 A 7.83 5.01 1.20 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 0.00 0.00 146 G 7.91 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 0.00 0.00 0.00 147 H 8.07 4.58 0.00 3.14 3.42 0.00 5.86 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.79 4.46 0.00 1.70 1.77 1.00 1.07 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 0.00 149 L 8.68 4.55 0.00 1.65 1.65 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.72 4.85 0.00 3.94 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 0.00 151 A 9.27 4.96 1.24 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 0.00 0.00 0.00 152 I 8.42 4.77 1.91 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 1.14 0.80 0.95 0.00 0.00 153 Q 9.00 4.42 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 154 N 9.31 4.94 0.00 2.71 2.67 0.00 0.00 7.19 7.72 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 0.00 155 G 8.53 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 0.00 0.00 0.00 156 A 8.34 4.48 1.24 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 0.00 0.00 0.00 157 G 8.18 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 0.00 158 E 8.58 4.98 0.00 1.60 1.70 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 2.12 2.11 0.00 159 F 9.17 5.28 0.00 2.82 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 0.00 160 V 8.90 4.68 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 0.97 0.00 0.00 0.94 0.00 0.00 161 V 8.95 4.73 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 0.84 0.00 0.00 0.74 0.00 0.00 162 E 8.98 4.85 0.00 2.15 1.80 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 2.40 2.46 0.00 163 D 8.97 5.20 0.00 2.88 2.77 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 0.00 164 Y 8.97 4.52 0.00 2.94 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 0.00 165 S 8.53 3.98 0.00 4.06 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 0.00 166 E 7.78 4.62 0.00 2.03 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 2.45 2.35 0.00 167 R 8.63 4.15 0.00 1.80 1.86 0.00 3.21 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 168 I 8.25 4.71 2.02 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 1.31 0.88 1.02 0.00 0.00 169 S 8.78 5.90 0.00 3.89 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 0.00 170 R 8.31 5.10 0.00 1.35 1.55 0.00 2.21 0.00 0.00 2.62 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.45 0.00 171 T 8.62 4.65 4.18 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 1.20 0.00 0.00 172 Y 8.71 4.58 0.00 3.12 2.82 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 0.00 173 N 8.59 4.76 0.00 2.56 2.51 0.00 0.00 6.62 7.75 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 0.00 174 P 0.00 3.96 0.00 2.24 2.32 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 175 D 7.93 4.46 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.98 4.20 0.00 1.49 1.69 0.86 0.89 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 0.00 177 G 8.13 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 0.00 178 L 7.10 4.73 0.00 1.39 1.33 0.87 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 179 N 8.64 5.12 0.00 2.38 2.43 0.00 0.00 6.82 7.45 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 0.00 180 I 8.14 4.34 1.74 0.00 0.00 0.74 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 0.96 0.82 0.00 0.00 181 Y 8.32 4.51 0.00 2.45 1.67 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 0.00 0.00 0.00 0.00 182 D 8.86 4.35 0.00 2.50 2.41 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 0.00 183 F 8.19 4.62 0.00 3.07 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 0.00 184 E 7.81 4.35 0.00 2.09 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 2.37 2.41 0.00 185 R 7.60 4.18 0.00 1.96 2.02 0.00 3.24 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.