NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1870 8.1233 123.5790 52.1396 20.4048 178.4187 *2 N 4.5831 8.0260 120.5362 54.1414 41.2240 177.7016 3 R 3.8931 7.9034 116.5341 59.4186 30.0686 179.0794 4 I 3.7293 7.7115 119.5623 64.2784 36.9472 178.3642 5 E 3.7917 7.9411 119.0473 59.5339 29.3054 178.8844 6 H 3.5272 7.8338 116.2380 58.7443 28.5760 177.1838 7 Y 4.1440 7.6238 121.2028 61.0100 38.5632 177.8367 8 H 3.9812 8.3007 117.3498 58.8851 28.7216 177.3848 9 D 4.3226 8.0822 120.8683 57.3787 40.6644 179.0727 10 W 4.6294 8.0523 119.2145 59.3962 29.0236 178.7131 11 L 3.9573 8.0778 119.4584 57.9836 41.1133 179.6782 12 R 3.9557 8.0815 117.8904 59.4141 29.7270 178.8703 13 D 4.4189 8.2704 117.7868 57.3782 40.8953 178.4206 14 A 3.9822 7.8320 120.3748 55.1422 18.6548 178.9069 15 H 4.2988 8.3495 116.7321 59.0905 29.9856 178.5701 16 A 4.6279 7.9478 123.2762 51.8680 18.2358 179.0689 *18 E 4.3907 8.2491 122.7587 58.0208 32.0220 178.7695 19 K 3.9564 8.0174 118.3228 59.3540 31.7560 178.9769 20 Q 3.9425 8.0004 118.7845 59.2147 29.0363 178.0657 21 A 3.6285 7.8209 120.1679 54.8971 18.8377 178.7010 22 E 4.0215 8.2791 117.9130 59.2902 29.6814 179.4080 23 S 3.9893 7.6233 109.6245 58.9119 61.9499 175.5397 *25 L 4.2043 7.7902 120.7660 54.4365 43.7245 178.0481 26 E 4.0564 8.0609 117.8103 59.7297 29.1984 180.7159 27 S 4.1009 8.0147 110.3785 58.7610 61.9783 175.5529 *29 A 4.3373 8.1617 123.6508 51.6458 20.0358 180.0986 30 S 4.2148 8.0665 111.3257 61.4095 63.1597 175.9755 31 R 4.2644 7.4395 116.1079 56.2444 29.7188 180.5832 32 I 4.2530 7.2931 116.9104 61.4783 36.1844 175.2081 33 D 4.8924 8.6024 124.1644 53.2469 40.3074 176.4480 34 N 5.1085 8.0410 117.0019 53.3772 40.3456 174.2813 35 Y 5.1082 7.9061 117.0253 53.7362 39.8332 172.7033 36 P 4.2981 0.0000 0.0000 65.6768 31.8819 177.5639 37 E 3.9878 8.4917 116.5031 59.1574 29.3765 179.1163 38 L 3.4930 7.3666 119.9392 57.9485 42.1835 178.7471 39 R 3.7755 8.4259 118.8652 59.2366 29.9351 178.2038 40 A 4.0030 8.0659 120.6933 55.2172 18.3031 179.4040 41 R 3.3676 7.5429 117.0891 59.5165 29.8064 178.7827 42 I 3.6022 7.6319 119.4843 64.4355 37.1332 178.2848 43 E 3.8965 8.3211 119.7237 59.3547 29.2607 179.2260 44 Q 3.8827 8.1570 119.7508 59.4769 29.1390 177.8634 45 H 4.8425 8.3674 120.9404 58.4820 29.8537 176.9276 46 L 3.8967 8.1118 122.5883 58.1025 41.7449 178.9213 47 S 4.0541 7.9768 112.9525 61.4036 62.4620 175.8698 48 E 3.9347 8.0956 121.2043 59.8697 29.2215 179.5850 49 T 4.0229 8.2765 115.9713 66.5826 68.3333 176.9062 50 K 3.9774 8.1019 120.4387 59.4271 31.9241 178.9360 51 N 4.3216 8.0021 117.4935 56.5648 38.8106 176.7986 52 Q 4.1250 8.2907 119.8948 59.2565 28.7580 179.2393 53 I 3.7352 7.8286 120.5959 64.3945 37.2233 178.7099 54 V 3.6153 7.5866 119.1846 65.9547 31.3225 178.1803 55 Q 3.9934 8.4289 118.2003 59.0000 28.5786 178.6018 56 L 4.0660 8.3596 120.3966 57.9426 41.6495 179.4699 57 E 4.0814 8.5199 118.8932 59.5384 29.3576 179.5123 58 T 3.9443 7.8540 109.7992 64.7519 68.8392 176.8992 59 I 3.7491 7.8168 122.6826 63.9630 37.1277 178.1710 60 L 3.8938 8.2893 120.2692 58.0092 41.4222 179.2784 61 D 4.3299 8.0841 118.4644 57.6910 40.6003 179.3383 62 R 3.9628 7.9440 116.8797 58.7568 30.0837 177.8659 63 N 4.6674 7.9736 113.8983 52.0710 39.0003 174.2324 64 D 4.3436 8.2409 119.4541 55.3891 40.2312 172.6747 65 I 4.5926 7.5030 108.6063 58.7239 40.6495 174.2331 66 S 4.7745 8.0642 115.7882 55.8955 65.8680 174.5044 67 R 3.8844 8.2713 118.5750 56.6230 29.6452 176.5397 68 S 4.4169 8.3875 113.3585 57.3118 63.4816 174.8226 69 V 3.5750 8.3949 128.9048 66.2676 31.1709 177.9032 70 I 3.7119 7.6284 117.4950 64.4074 37.1304 178.0951 71 K 4.1559 7.5322 117.5384 59.6167 32.1580 178.7975 72 D 4.7249 8.2106 119.0918 55.8079 40.6068 176.4491 73 S 4.6447 7.8715 117.9297 56.8544 65.3448 173.7686 *92 E 4.3324 8.7215 125.1922 56.2847 31.3844 178.3529 93 I 3.8584 7.5477 117.6737 63.8031 37.9035 178.1023 94 V 3.4807 7.1496 118.7921 65.8953 31.4283 178.0433 95 K 4.0487 7.8560 117.9206 59.3097 31.8227 179.3478 96 G 3.6463 8.5506 106.4798 48.0121 0.0000 175.9768 97 S 4.2251 8.3374 117.5745 61.2056 62.8486 176.7164 98 I 3.7717 7.9157 122.5598 64.7078 36.9135 178.5918 99 S 4.3176 8.4795 116.2601 61.5500 62.6284 177.1107 100 G 3.6843 8.5384 108.7187 47.9304 0.0000 174.9491 101 Y 4.2114 8.2779 122.3431 60.5808 38.7234 178.5347 102 V 3.4903 8.1272 119.0222 65.9178 31.6191 177.7363 103 F 3.9426 8.4898 120.4566 61.3346 39.1821 176.9380 104 E 4.0791 8.5173 118.2683 59.6121 29.1673 179.4112 105 Q 3.8108 8.0649 118.2057 58.5455 28.5935 178.5408 106 F 4.1137 8.1543 121.9613 61.3310 39.3366 176.8878 107 E 3.4670 7.8581 118.0914 59.3297 29.2286 179.4395 108 I 3.6920 7.9235 119.6227 64.4022 37.2347 178.3861 109 A 3.8931 8.0002 121.5553 55.3338 18.1175 179.4675 110 C 3.7111 7.9081 115.6078 63.0948 27.9912 176.0472 111 Y 4.1889 8.0949 118.6081 60.9683 37.2327 178.3012 112 T 3.8581 8.0574 117.0449 66.7486 68.5579 176.5419 113 S 3.9841 7.9791 114.9409 61.1922 62.3434 175.8905 114 L 4.1738 8.1201 123.4232 58.0794 41.8238 178.9322 115 L 4.0455 8.4420 119.1902 57.8216 41.5772 179.3421 116 A 4.0078 7.8439 120.5264 55.1083 18.2339 179.5790 117 A 4.0655 8.4277 119.1933 55.2095 18.5210 179.7680 118 A 3.0087 8.4861 119.7636 54.9035 18.6110 180.0431 119 K 3.8535 8.0900 117.0300 59.5113 31.9043 179.0980 120 N 4.3323 8.0305 115.9442 56.7046 39.0378 176.5085 121 A 4.1274 8.0022 120.6382 52.7517 18.4927 178.0714 122 G 3.6761 7.2314 103.8349 46.8934 0.0000 174.8145 123 D 4.6645 7.5742 118.4300 53.4100 38.2254 177.0628 124 T 3.8723 7.6004 119.2145 66.6901 68.8170 175.9825 125 A 4.0372 8.1069 121.6060 55.1835 18.5334 178.8505 126 S 4.4849 8.1521 111.7126 59.4714 63.2299 176.4836 127 I 3.7272 7.5409 123.7654 64.1137 36.8990 176.4629 128 P 4.3238 0.0000 0.0000 65.6650 31.1616 178.9366 129 T 3.8638 7.8192 114.3072 66.7054 68.4237 176.7763 130 I 3.6570 7.9555 121.8187 64.3337 37.0799 178.3807 131 E 3.9042 8.6600 119.7541 59.1718 29.2443 179.2841 132 A 3.9526 7.9443 120.8963 55.0950 18.4543 179.7173 133 I 3.8913 7.5253 119.5824 63.8785 37.0570 178.2543 134 L 3.8529 7.7416 121.2610 58.4542 41.7751 178.8696 135 N 4.3255 8.3070 116.2260 56.1215 38.2853 177.2316 136 E 4.0190 8.1543 120.1118 59.5346 29.3770 179.2269 137 E 4.0288 7.9590 117.1263 59.3220 29.7593 179.2063 138 K 4.1611 8.2880 118.6584 59.7912 32.1380 180.0557 139 H 4.4287 8.2824 113.3588 56.4340 28.4900 177.1944 *141 A 4.4185 7.9268 125.4031 52.4622 20.5778 179.1699 142 D 4.4468 8.5038 115.0833 57.4974 40.9316 178.4607 143 W 4.0449 8.2013 127.2181 60.3780 31.1575 177.6043 144 L 4.4142 8.2795 118.4328 58.1176 41.2699 179.2597 145 I 3.4042 8.0950 118.6187 64.0433 37.6247 177.8989 146 Q 3.9237 7.9297 118.0378 58.2410 28.7258 177.3921 147 H 4.5717 7.4631 114.6848 55.5672 29.2553 176.6295 148 I 3.7370 7.3591 123.0536 63.8860 36.8887 176.3942 149 P 4.2273 0.0000 0.0000 65.6355 31.1044 178.6909 150 Q 3.9883 7.9855 116.4495 59.1386 28.6784 178.5995 151 T 3.9361 8.2527 116.8854 66.9732 68.4902 176.8137 152 T 3.9179 8.1509 117.6867 66.5530 68.4529 176.3238 153 E 3.9270 8.2934 121.1550 59.2119 29.7088 178.8531 154 K 3.8495 8.2364 118.7328 59.5211 32.1628 178.9565 155 F 4.1243 8.4111 120.7623 61.3781 39.1794 177.1261 156 L 3.8916 8.2576 118.5798 57.7778 41.4189 179.5522 157 I 3.6484 7.8758 119.8252 64.4070 37.0036 178.5020 158 R 3.8299 7.9667 119.7477 59.2870 29.6525 178.6219 159 S 3.8528 7.5251 113.2556 61.1191 62.8000 176.0765 160 E 3.9898 7.5660 122.1808 59.4503 29.5956 178.3131 161 T 4.0238 7.7632 116.7484 67.1787 68.6195 174.5826 162 D 4.5119 8.0416 122.8326 53.3055 39.9305 177.7426 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 0 A 8.12 4.19 1.29 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 *2 N 8.03 4.58 0.00 2.77 2.88 0.00 0.00 6.99 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 3 R 7.90 3.89 0.00 1.95 1.95 0.00 3.37 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 4 I 7.71 3.73 1.79 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 1.66 0.92 0.75 0.00 0.00 5 E 7.94 3.79 0.00 1.84 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 0.00 2.33 2.31 0.00 6 H 7.83 3.53 0.00 2.86 1.87 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.62 4.14 0.00 2.94 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 8 H 8.30 3.98 0.00 3.25 3.22 0.00 5.70 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 9 D 8.08 4.32 0.00 2.51 2.68 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 10 W 8.05 4.63 0.00 3.61 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 11 L 8.08 3.96 0.00 1.67 1.60 0.45 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.08 3.96 0.00 2.02 1.99 0.00 3.11 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 13 D 8.27 4.42 0.00 2.89 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 14 A 7.83 3.98 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 15 H 8.35 4.30 0.00 3.25 3.48 0.00 5.60 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 16 A 7.95 4.63 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 *18 E 8.25 4.39 0.00 2.18 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 2.62 2.40 0.00 19 K 8.02 3.96 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.56 7.81 20 Q 8.00 3.94 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 21 A 7.82 3.63 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 22 E 8.28 4.02 0.00 2.13 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 2.47 2.28 0.00 23 S 7.62 3.99 0.00 3.91 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 *25 L 7.79 4.20 0.00 1.69 1.71 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.06 4.06 0.00 2.17 1.98 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 2.30 2.43 0.00 27 S 8.01 4.10 0.00 3.84 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 *29 A 8.16 4.34 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 30 S 8.07 4.21 0.00 4.03 4.01 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 31 R 7.44 4.26 0.00 1.89 1.86 0.00 3.26 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 1.52 1.46 0.00 32 I 7.29 4.25 1.90 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 1.40 1.00 1.01 0.00 0.00 33 D 8.60 4.89 0.00 2.79 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 34 N 8.04 5.11 0.00 2.67 2.82 0.00 0.00 6.75 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.91 5.11 0.00 3.00 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 36 P 0.00 4.30 0.00 2.31 2.19 0.00 3.82 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 2.21 2.29 0.00 37 E 8.49 3.99 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 38 L 7.37 3.49 0.00 0.91 1.52 1.03 0.98 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 39 R 8.43 3.78 0.00 1.88 1.90 0.00 3.29 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 40 A 8.07 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.54 3.37 0.00 0.67 1.08 0.00 2.72 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 42 I 7.63 3.60 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.46 0.87 0.00 0.00 43 E 8.32 3.90 0.00 2.06 1.95 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 2.29 2.35 0.00 44 Q 8.16 3.88 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 45 H 8.37 4.84 0.00 3.28 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.11 3.90 0.00 1.75 1.80 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.98 4.05 0.00 3.92 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 48 E 8.10 3.93 0.00 2.17 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 0.00 2.40 2.34 0.00 49 T 8.28 4.02 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 1.23 0.00 0.00 50 K 8.10 3.98 0.00 1.92 1.84 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.63 1.64 7.81 51 N 8.00 4.32 0.00 2.76 2.94 0.00 0.00 7.15 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 52 Q 8.29 4.12 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.64 0.00 53 I 7.83 3.74 2.04 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 1.36 0.70 0.93 0.00 0.00 54 V 7.59 3.62 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 1.03 0.00 0.00 0.98 0.00 0.00 55 Q 8.43 3.99 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 56 L 8.36 4.07 0.00 1.87 1.81 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.52 4.08 0.00 2.24 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 2.34 2.50 0.00 58 T 7.85 3.94 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 1.25 0.00 0.00 59 I 7.82 3.75 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.79 0.96 0.00 0.00 60 L 8.29 3.89 0.00 1.77 1.84 0.82 0.93 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 61 D 8.08 4.33 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.94 3.96 0.00 1.96 2.02 0.00 3.17 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 63 N 7.97 4.67 0.00 2.73 2.70 0.00 0.00 6.98 8.05 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 64 D 8.24 4.34 0.00 2.73 2.69 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 65 I 7.50 4.59 1.77 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 1.10 0.73 0.75 0.00 0.00 66 S 8.06 4.77 0.00 3.80 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 67 R 8.27 3.88 0.00 1.89 1.68 0.00 3.21 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 68 S 8.39 4.42 0.00 3.91 3.80 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 69 V 8.39 3.57 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 1.02 0.00 0.00 0.93 0.00 0.00 70 I 7.63 3.71 1.88 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 1.65 0.65 0.92 0.00 0.00 71 K 7.53 4.16 0.00 1.76 1.92 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.51 7.81 72 D 8.21 4.72 0.00 2.90 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 73 S 7.87 4.64 0.00 3.82 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 *92 E 8.72 4.33 0.00 2.07 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 2.33 2.28 0.00 93 I 7.55 3.86 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.43 1.01 0.00 0.00 94 V 7.15 3.48 1.72 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 0.92 0.00 0.00 0.53 0.00 0.00 95 K 7.86 4.05 0.00 1.75 1.81 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.40 7.81 96 G 8.55 3.65 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 97 S 8.34 4.23 0.00 4.04 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 98 I 7.92 3.77 2.03 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 1.51 0.84 0.96 0.00 0.00 99 S 8.48 4.32 0.00 4.04 3.96 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 0.00 100 G 8.54 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 0.00 101 Y 8.28 4.21 0.00 3.11 3.21 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 0.00 102 V 8.13 3.49 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 1.01 0.00 0.00 1.08 0.00 0.00 103 F 8.49 3.94 0.00 3.28 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 0.00 104 E 8.52 4.08 0.00 2.09 1.98 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 2.68 2.56 0.00 105 Q 8.06 3.81 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 106 F 8.15 4.11 0.00 2.72 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 0.00 107 E 7.86 3.47 0.00 2.22 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 2.16 2.34 0.00 108 I 7.92 3.69 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.88 0.00 0.00 109 A 8.00 3.89 1.26 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 0.00 0.00 110 C 7.91 3.71 0.00 2.28 2.36 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 0.00 111 Y 8.09 4.19 0.00 3.00 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 0.00 112 T 8.06 3.86 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 1.18 0.00 0.00 113 S 7.98 3.98 0.00 3.66 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.12 4.17 0.00 1.96 1.95 1.12 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.44 4.05 0.00 1.98 1.73 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.84 4.01 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 0.00 117 A 8.43 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.49 3.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.09 3.85 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.52 7.81 120 N 8.03 4.33 0.00 2.72 2.98 0.00 0.00 7.26 7.52 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 0.00 121 A 8.00 4.13 1.01 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 0.00 0.00 122 G 7.23 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 0.00 123 D 7.57 4.66 0.00 2.85 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.60 3.87 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 1.21 0.00 0.00 125 A 8.11 4.04 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 0.00 126 S 8.15 4.48 0.00 4.16 4.01 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 0.00 127 I 7.54 3.73 2.04 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 1.53 0.66 0.93 0.00 0.00 128 P 0.00 4.32 0.00 2.15 2.09 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 129 T 7.82 3.86 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 130 I 7.96 3.66 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.87 1.00 0.00 0.00 131 E 8.66 3.90 0.00 2.17 1.98 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 2.33 2.44 0.00 132 A 7.94 3.95 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 0.00 133 I 7.53 3.89 1.38 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.64 0.32 0.00 0.00 134 L 7.74 3.85 0.00 1.65 1.84 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.31 4.33 0.00 2.78 2.90 0.00 0.00 7.06 7.23 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 0.00 136 E 8.15 4.02 0.00 2.24 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 2.34 2.49 0.00 137 E 7.96 4.03 0.00 2.11 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 2.63 2.67 0.00 138 K 8.29 4.16 0.00 1.91 1.82 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.61 7.81 139 H 8.28 4.43 0.00 3.33 3.35 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 *141 A 7.93 4.42 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 0.00 142 D 8.50 4.45 0.00 2.82 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 0.00 143 W 8.20 4.04 0.00 3.51 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.28 4.41 0.00 2.21 1.92 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 145 I 8.10 3.40 1.25 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.01 0.97 0.00 0.00 146 Q 7.93 3.92 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 147 H 7.46 4.57 0.00 2.60 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.36 3.74 1.90 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 0.85 0.00 0.00 149 P 0.00 4.23 0.00 2.10 2.06 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 150 Q 7.99 3.99 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 151 T 8.25 3.94 4.49 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 1.35 0.00 0.00 152 T 8.15 3.92 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 0.00 153 E 8.29 3.93 0.00 2.15 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 2.28 2.37 0.00 154 K 8.24 3.85 0.00 1.99 1.80 0.00 1.61 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.32 1.35 7.81 155 F 8.41 4.12 0.00 3.16 3.24 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 0.00 156 L 8.26 3.89 0.00 1.90 1.70 0.97 0.79 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 0.00 157 I 7.88 3.65 1.96 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 1.37 0.88 0.87 0.00 0.00 158 R 7.97 3.83 0.00 1.88 1.88 0.00 3.09 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 159 S 7.53 3.85 0.00 3.81 3.45 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 0.00 160 E 7.57 3.99 0.00 1.88 2.11 0.00 0.00 0.00 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 0.00 161 T 7.76 4.02 4.19 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 1.18 0.00 0.00 162 D 8.04 4.51 0.00 2.69 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.