NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 G 3.9677 8.3544 109.7440 45.1442 0.0000 172.4246 39 F 4.0457 8.7370 121.5447 56.8826 39.9705 173.3400 40 D 4.6442 7.3536 127.8192 51.7558 41.8812 174.4517 41 P 4.6096 0.0000 0.0000 62.8421 31.5238 178.9557 *43 R 4.1230 8.1950 120.2997 57.6687 31.9838 176.4330 44 Y 3.8652 8.0416 117.9796 60.6962 38.7357 177.9142 45 A 4.1373 8.4863 121.9583 55.1959 18.4854 179.6112 46 R 3.6304 7.8441 116.6678 59.5025 30.0025 178.4181 47 E 3.9029 7.8809 117.2156 59.4314 29.5118 179.0535 48 L 4.1822 7.8860 118.0170 57.3722 41.8752 179.1075 49 W 4.6641 8.3178 128.4157 60.4713 30.6261 178.6928 50 F 4.3355 7.7217 114.9386 58.3316 38.2971 176.8314 *52 L 4.1957 7.8070 121.8421 55.2737 43.6105 177.9289 53 Q 3.8036 7.9014 116.5692 59.0339 29.0140 177.7501 54 D 4.5392 7.6653 119.2812 54.6556 38.1217 176.2202 *57 N 4.5412 8.0388 118.4686 53.1097 40.8024 175.9288 58 E 3.9199 7.8991 115.3763 56.5725 29.8365 177.2077 59 G 3.9814 8.5436 107.7038 45.6170 0.0000 172.9733 60 L 4.4608 8.1594 126.1937 54.1202 45.3152 176.1083 61 G 3.9854 8.6785 112.3403 45.7161 0.0000 172.9774 62 Y 4.2942 8.6986 119.8732 56.4905 39.2327 174.7214 63 D 4.6487 8.7159 120.5509 54.5462 42.1049 176.5444 64 A 4.0974 8.9248 130.0857 55.5648 18.3992 179.5783 65 V 3.5384 7.8163 115.8597 66.1180 31.7284 177.5782 66 E 3.9197 8.7204 119.3019 59.2185 29.4187 178.8464 67 V 3.0937 7.5237 118.0614 65.9848 31.6215 178.0224 68 L 4.0524 8.0662 118.6340 57.9029 41.5127 179.2246 69 N 4.3965 8.4816 116.6565 56.7633 38.4433 177.6393 70 T 4.2838 8.0603 118.4215 66.1141 68.3481 176.8390 71 L 4.0730 8.0833 120.2378 57.9537 41.6816 179.0359 72 D 4.5745 8.1242 118.1359 57.0805 40.8021 178.4102 73 E 4.3744 8.2540 119.0798 58.1073 30.6374 176.4916 74 N 5.0695 8.7445 118.8956 50.7204 40.7904 172.3338 75 P 4.2341 0.0000 0.0000 65.3106 31.6261 177.6360 76 E 4.0412 8.1675 116.7491 59.2327 29.2346 178.9315 77 L 3.8803 7.9695 119.2101 57.9225 42.2128 178.4987 78 A 4.3286 7.9291 119.6953 55.5968 18.7058 178.8335 79 H 4.3978 8.4217 116.3586 58.4620 28.6179 177.9454 80 Q 3.8691 7.6747 115.2529 57.5877 28.7008 176.8535 *82 F 4.2728 7.9346 115.9192 56.5501 41.4337 175.2388 83 A 4.7430 7.2995 124.1553 50.0572 19.7789 175.8539 *85 V 4.0000 8.0894 113.9842 63.2882 32.5392 175.7413 86 V 4.3077 8.3278 125.1907 61.8028 34.0960 176.3167 87 G 3.8249 8.7701 116.4977 46.2343 0.0000 174.4443 88 V 4.3265 8.2363 113.9660 60.6122 30.9549 174.8228 89 S 4.7456 7.7591 116.9466 56.8886 66.4069 174.4023 90 N 4.7133 8.5444 115.5031 53.3046 38.6505 175.1367 91 Y 4.3681 7.4683 116.2765 57.8394 39.0290 175.3807 92 R 4.5212 8.7463 121.0255 54.6315 34.3117 173.6883 93 Y 4.9499 8.5523 121.1113 56.5285 40.3033 174.1757 94 Y 4.6932 8.9724 122.4562 56.0046 41.3177 174.6306 95 I 4.9597 8.4756 122.3643 59.2639 41.1224 173.9804 96 I 5.3879 9.3299 123.1357 59.2031 41.0399 174.3867 97 Q 4.7281 9.4494 121.0309 54.6319 32.4127 175.3235 98 G 3.3944 6.3264 106.4153 45.6072 0.0000 171.2777 99 V 4.8455 8.3499 118.6355 61.0552 34.1025 176.0732 100 G 4.4809 9.5298 114.0496 44.4695 0.0000 170.6903 101 E 5.1740 8.5392 121.4457 54.2206 31.8687 175.0786 102 I 4.2027 8.8091 128.7783 62.0085 37.4857 176.6129 103 V 4.1240 8.9618 127.7477 64.1064 33.1246 175.7666 104 E 4.7566 7.9306 119.6957 54.8721 33.0094 174.3169 105 I 4.6349 8.2929 126.4043 60.0219 39.3774 175.2334 *107 D 4.6809 8.6085 122.7846 53.8688 42.6380 176.4730 108 D 4.9163 9.0818 115.7801 51.6525 40.0164 176.2757 109 G 4.0758 7.0013 106.6024 45.9110 0.0000 171.1654 110 I 4.9372 7.7402 112.4364 59.0959 40.7374 174.6431 111 L 4.9866 8.9723 125.6610 54.2062 43.4290 175.7964 112 V 4.8888 8.3630 124.3461 60.7778 34.5750 175.4019 *114 V 4.2767 8.5834 116.3207 62.7280 33.2464 177.0069 115 R 4.7088 8.2708 117.3614 54.3742 33.4958 174.7270 116 E 4.2648 8.4514 119.4562 56.5073 30.6018 176.3948 117 N 4.8488 8.5491 114.2364 54.5407 36.7913 175.7296 118 R 4.3601 7.0155 119.0542 55.8513 29.9128 176.4656 *120 V 3.8887 8.0387 117.1970 61.2080 32.4805 173.4197 121 P 4.3754 0.0000 0.0000 63.2362 31.9993 177.4115 122 D 4.5104 8.7158 120.8150 56.9334 42.0225 176.4263 123 L 5.1206 8.1262 116.8985 52.7922 46.2616 175.8539 124 F 5.2820 9.2579 126.0507 56.7892 41.1045 174.6366 125 L 4.7448 8.8850 129.0380 53.6038 42.0578 176.1479 126 S 4.9015 7.9276 117.8381 55.8301 66.1483 173.4648 127 N 4.5736 8.6141 116.0383 52.9151 37.6646 176.2613 128 H 4.5339 7.7542 121.1180 55.2948 28.0797 173.5748 129 I 4.1747 6.8932 120.2263 59.1355 37.6551 175.1707 130 F 4.7306 8.0317 122.9182 56.3995 43.0492 177.2675 131 G 3.7908 8.6739 109.7326 45.5539 0.0000 174.0136 132 N 4.7208 8.4963 120.6921 53.0375 39.3921 176.5415 133 G 3.9606 8.2905 108.0668 48.2494 0.0000 176.1449 134 I 3.7920 7.6433 121.4348 64.3753 37.3708 178.8999 135 V 3.7556 7.6962 112.7178 64.4609 31.2112 178.3095 136 N 4.2094 8.2585 115.7922 55.9522 38.3433 177.1184 137 A 4.2565 8.0297 121.8487 54.7606 18.5853 178.9812 138 T 4.3306 8.0280 106.8128 61.3796 69.6114 176.1855 139 G 3.9620 7.9930 108.7068 45.9067 0.0000 174.6311 140 I 3.9215 7.6495 114.3791 62.7303 37.9463 175.9283 141 A 5.1960 7.4796 120.7672 49.8047 22.0747 175.5166 *144 E 4.2646 8.5775 118.0053 56.2665 31.2947 177.2830 145 D 4.2995 7.7655 117.6738 55.4864 41.2404 175.7013 146 F 4.7124 7.4954 116.7547 55.4205 41.8352 175.0997 147 D 4.5444 8.5397 122.9491 55.9415 41.0517 177.1173 148 R 4.6774 7.4490 114.2118 53.2143 32.6493 175.9909 149 I 3.6743 8.3327 119.6714 64.3352 37.9691 178.1037 150 I 3.6142 7.6672 119.0362 63.9784 37.7904 177.4820 151 D 4.1376 7.6119 119.4978 56.9670 40.4424 178.3904 152 F 2.8655 7.4414 120.4423 60.9173 39.2985 176.6434 153 N 3.9063 7.9014 115.8987 56.3520 38.2934 177.4751 154 L 3.9211 8.1143 120.6071 57.9172 41.5778 179.7618 155 T 3.8720 7.8142 115.5143 66.5531 68.3304 176.4452 156 A 3.8467 7.8280 122.7567 55.3879 18.1121 179.7196 157 T 3.6860 7.7359 113.2342 66.9206 68.6269 176.3752 158 E 4.0269 8.1274 119.2889 59.1993 29.7339 178.8808 159 L 4.0397 8.0832 120.5198 57.9655 41.9172 179.6714 160 N 3.9511 7.8404 114.0326 53.5927 38.9855 176.1972 *162 I 3.9394 7.7321 122.4986 61.4951 39.1185 179.1481 163 V 3.4569 6.9754 118.1538 63.1144 30.9468 177.5956 *165 E 4.1918 8.3732 118.9290 55.6910 30.9804 177.4170 166 E 4.4994 8.3586 114.8981 56.6316 30.2029 176.7018 167 V 4.2205 7.3342 116.2722 64.6386 33.3141 177.3121 168 V 3.5898 7.8094 117.5258 66.1251 31.4039 177.9869 169 N 4.3425 7.9652 114.8585 56.2111 38.5649 176.7304 170 S 4.2509 7.6790 113.2156 61.5791 62.6893 175.8869 171 F 4.8813 8.0159 124.1392 60.6146 39.0201 178.0337 172 L 4.2427 8.0506 116.8309 55.2894 41.4466 179.0595 *174 Q 4.2188 8.1153 120.3327 55.9746 30.8063 177.6917 175 L 3.8350 7.7130 117.3609 57.7874 41.6524 180.2812 176 S 4.2632 7.4516 113.3003 58.0310 60.6807 175.1889 *178 G 3.8044 8.1941 108.1580 45.9582 0.0000 175.2038 179 A 4.0518 8.2281 123.5850 54.6451 18.4650 177.5975 180 G 3.9587 7.0078 100.5440 46.0685 0.0000 171.4422 181 S 4.4635 8.4692 112.7340 56.9566 65.5971 173.3381 182 V 3.7640 8.2787 119.6827 65.2307 31.2671 176.2479 183 G 4.0615 9.2397 116.0548 45.3127 0.0000 174.0249 184 S 4.4625 8.1638 115.8108 58.5337 64.4772 173.1663 185 L 5.1002 8.4435 121.7419 53.5439 43.8282 175.6828 186 V 4.9363 9.0013 123.2702 60.9874 34.5750 174.8413 187 R 4.7517 9.1091 128.2793 56.3189 31.2525 175.7963 188 F 6.3000 8.8988 117.5036 54.5319 42.2122 173.3648 189 I 5.2699 8.7304 119.6024 59.7553 40.6154 174.3517 190 A 5.3219 9.6562 127.6264 50.5476 23.3781 174.6943 191 V 5.1828 8.9482 119.3776 61.2445 34.7004 174.5907 192 F 5.4498 8.8673 120.7677 55.8744 41.9112 173.0423 193 T 5.0990 8.8138 115.7343 61.8564 71.0895 173.4970 194 L 4.9644 8.9551 125.4980 51.8247 45.7067 176.5584 195 L 4.3154 8.2352 124.7351 55.1122 40.3140 178.0694 *197 D 4.5009 8.6956 116.3601 53.2377 42.1731 174.4694 198 E 4.2467 7.9952 120.9139 55.0691 30.3676 176.1661 199 E 4.0483 8.5125 125.2707 56.3419 30.0699 177.1045 200 I 3.7767 7.9005 123.8010 61.0298 38.1803 174.6860 *202 Y 4.4524 7.9068 117.9140 57.2198 38.6965 173.7289 203 P 4.9528 0.0000 0.0000 62.1762 32.5906 176.1834 204 I 3.8114 8.5985 124.9883 60.9867 38.1307 174.7358 205 E 4.8770 8.7786 128.6009 55.7290 30.4275 175.3386 206 A 5.0041 8.9455 127.7814 50.2824 23.5015 174.7913 207 I 4.4506 8.8929 121.9510 59.4030 38.4986 173.5145 208 P 4.9264 0.0000 0.0000 62.7111 31.5615 176.1914 209 L 4.7692 9.2001 123.7668 55.7162 43.3488 176.2503 210 Y 4.8457 7.8738 119.6783 56.2148 42.5024 173.7912 211 L 4.7144 7.4931 126.0119 53.7037 45.3502 174.9259 212 E 4.8635 8.8550 123.0883 54.4411 34.4119 175.0807 213 I 4.3439 8.6940 124.5219 61.6947 38.0209 176.0970 214 Q 4.3092 9.1116 125.0920 56.1849 28.3100 175.8468 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 38 G 8.35 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 39 F 8.74 4.05 0.00 3.16 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 40 D 7.35 4.64 0.00 2.55 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 0.00 0.00 0.00 0.00 41 P 0.00 4.61 0.00 2.41 2.49 0.00 3.52 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 *43 R 8.19 4.12 0.00 1.90 1.99 0.00 3.16 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 44 Y 8.04 3.87 0.00 3.12 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 45 A 8.49 4.14 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 46 R 7.84 3.63 0.00 1.80 1.95 0.00 3.12 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 0.00 47 E 7.88 3.90 0.00 1.94 1.89 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 2.36 2.43 0.00 48 L 7.89 4.18 0.00 1.93 1.89 1.32 0.98 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 49 W 8.32 4.66 0.00 3.36 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 50 F 7.72 4.34 0.00 3.20 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 *52 L 7.81 4.20 0.00 1.86 1.85 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.90 3.80 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.16 0.00 0.00 0.00 0.00 0.00 1.27 1.24 0.00 54 D 7.67 4.54 0.00 2.67 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 *57 N 8.04 4.54 0.00 2.82 2.84 0.00 0.00 7.28 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 58 E 7.90 3.92 0.00 2.18 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 0.00 2.34 2.12 0.00 59 G 8.54 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 0.00 0.00 0.00 60 L 8.16 4.46 0.00 1.46 1.41 0.88 1.20 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 61 G 8.68 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 62 Y 8.70 4.29 0.00 2.98 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 63 D 8.72 4.65 0.00 2.81 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 64 A 8.92 4.10 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 65 V 7.82 3.54 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 nan 0.00 0.00 1.00 0.00 0.00 66 E 8.72 3.92 0.00 2.09 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 0.00 2.43 2.45 0.00 67 V 7.52 3.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.24 0.00 0.00 68 L 8.07 4.05 0.00 1.79 1.81 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.48 4.40 0.00 2.97 2.91 0.00 0.00 7.06 7.82 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 70 T 8.06 4.28 4.70 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 1.36 0.00 0.00 71 L 8.08 4.07 0.00 1.87 1.76 0.78 1.00 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 72 D 8.12 4.57 0.00 2.88 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 73 E 8.25 4.37 0.00 2.20 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 2.35 2.63 0.00 74 N 8.74 5.07 0.00 2.65 2.66 0.00 0.00 7.27 8.11 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 75 P 0.00 4.23 0.00 2.20 2.10 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.38 0.00 76 E 8.17 4.04 0.00 2.11 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 2.42 2.33 0.00 77 L 7.97 3.88 0.00 1.62 1.88 0.84 1.09 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 78 A 7.93 4.33 1.58 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 0.00 0.00 79 H 8.42 4.40 0.00 3.27 3.33 0.00 5.64 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 80 Q 7.67 3.87 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 *82 F 7.93 4.27 0.00 3.24 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 83 A 7.30 4.74 0.64 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 0.00 0.00 *85 V 8.09 4.00 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 0.86 0.00 0.00 0.95 0.00 0.00 86 V 8.33 4.31 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.83 0.00 0.00 87 G 8.77 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.24 4.33 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 0.91 0.00 0.00 0.95 0.00 0.00 89 S 7.76 4.75 0.00 4.14 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.54 4.71 0.00 2.57 2.70 0.00 0.00 6.93 7.46 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 91 Y 7.47 4.37 0.00 2.94 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 92 R 8.75 4.52 0.00 1.67 1.63 0.00 3.15 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.29 0.00 93 Y 8.55 4.95 0.00 2.94 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 94 Y 8.97 4.69 0.00 1.48 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 0.00 0.00 0.00 95 I 8.48 4.96 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 2.04 0.99 0.00 0.00 96 I 9.33 5.39 2.10 0.00 0.00 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 1.73 1.62 1.21 0.00 0.00 97 Q 9.45 4.73 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 98 G 6.33 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 0.00 0.00 0.00 99 V 8.35 4.85 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 0.90 0.00 0.00 0.90 0.00 0.00 100 G 9.53 4.48 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 0.00 101 E 8.54 5.17 0.00 2.10 1.85 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 2.33 2.49 0.00 102 I 8.81 4.20 2.08 0.00 0.00 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 1.22 0.77 0.97 0.00 0.00 103 V 8.96 4.12 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 0.72 0.00 0.00 1.00 0.00 0.00 104 E 7.93 4.76 0.00 2.02 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 2.27 2.33 0.00 105 I 8.29 4.63 1.89 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 1.40 0.78 0.94 0.00 0.00 *107 D 8.61 4.68 0.00 2.74 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 0.00 108 D 9.08 4.92 0.00 3.07 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.00 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 0.00 110 I 7.74 4.94 1.97 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 1.26 1.20 1.08 0.00 0.00 111 L 8.97 4.99 0.00 1.63 1.63 0.79 0.82 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 0.00 112 V 8.36 4.89 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 1.23 0.00 0.00 0.91 0.00 0.00 *114 V 8.58 4.28 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 0.95 0.00 0.00 1.16 0.00 0.00 115 R 8.27 4.71 0.00 1.73 1.72 0.00 3.17 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 116 E 8.45 4.26 0.00 1.98 1.85 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 2.38 2.27 0.00 117 N 8.55 4.85 0.00 2.84 2.88 0.00 0.00 6.87 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 0.00 118 R 7.02 4.36 0.00 1.51 1.55 0.00 3.00 0.00 0.00 3.04 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 *120 V 8.04 3.89 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 0.70 0.00 0.00 0.94 0.00 0.00 121 P 0.00 4.38 0.00 2.17 2.07 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 122 D 8.72 4.51 0.00 2.60 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 0.00 123 L 8.13 5.12 0.00 1.41 1.33 0.61 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 124 F 9.26 5.28 0.00 2.92 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 0.00 125 L 8.89 4.74 0.00 1.47 1.44 0.53 0.41 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 0.00 126 S 7.93 4.90 0.00 3.33 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 0.00 127 N 8.61 4.57 0.00 2.64 2.89 0.00 0.00 6.92 8.75 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 0.00 128 H 7.75 4.53 0.00 3.17 3.43 0.00 5.91 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 6.89 4.17 1.58 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 1.31 0.50 0.79 0.00 0.00 130 F 8.03 4.73 0.00 2.89 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 0.00 131 G 8.67 3.79 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 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8.23 4.05 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 0.00 180 G 7.01 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 0.00 0.00 0.00 181 S 8.47 4.46 0.00 3.93 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 0.00 182 V 8.28 3.76 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 0.88 0.00 0.00 0.98 0.00 0.00 183 G 9.24 4.06 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 0.00 0.00 0.00 184 S 8.16 4.46 0.00 3.88 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 0.00 185 L 8.44 5.10 0.00 1.65 1.64 0.96 0.80 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 0.00 186 V 9.00 4.94 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 0.99 0.00 0.00 1.15 0.00 0.00 187 R 9.11 4.75 0.00 2.03 2.04 0.00 3.17 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 188 F 8.90 6.30 0.00 3.07 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 0.00 189 I 8.73 5.27 2.03 0.00 0.00 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 1.21 0.70 1.03 0.00 0.00 190 A 9.66 5.32 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 0.00 191 V 8.95 5.18 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 1.15 0.00 0.00 1.05 0.00 0.00 192 F 8.87 5.45 0.00 3.11 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 T 8.81 5.10 4.36 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 1.11 0.00 0.00 194 L 8.96 4.96 0.00 1.74 1.61 0.97 0.63 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 0.00 195 L 8.24 4.32 0.00 1.38 0.72 0.13 1.10 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 *197 D 8.70 4.50 0.00 2.70 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 0.00 198 E 8.00 4.25 0.00 1.96 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 2.28 2.25 0.00 199 E 8.51 4.05 0.00 1.98 1.86 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 2.31 2.33 0.00 200 I 7.90 3.78 1.77 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 1.39 0.69 0.32 0.00 0.00 *202 Y 7.91 4.45 0.00 2.97 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 0.00 203 P 0.00 4.95 0.00 1.99 2.10 0.00 3.71 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 204 I 8.60 3.81 1.48 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.11 0.17 0.00 0.00 205 E 8.78 4.88 0.00 2.12 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 2.27 2.41 0.00 206 A 8.95 5.00 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 0.00 207 I 8.89 4.45 1.94 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 1.29 0.69 0.91 0.00 0.00 208 P 0.00 4.93 0.00 2.03 2.00 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 209 L 9.20 4.77 0.00 1.71 2.04 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 210 Y 7.87 4.85 0.00 3.12 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 0.00 211 L 7.49 4.71 0.00 1.00 0.24 0.50 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 212 E 8.86 4.86 0.00 1.87 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 1.47 2.34 0.00 213 I 8.69 4.34 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.87 0.97 0.00 0.00 214 Q 9.11 4.31 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.