NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4205 8.1633 120.3487 55.8886 32.8747 176.4601 2 Q 4.4948 8.4639 114.5639 55.3920 29.1399 175.9231 3 L 3.9220 8.5470 123.4124 58.1997 42.6567 178.3954 4 L 4.0037 7.8230 118.6105 57.6418 41.7103 179.1341 5 S 4.2113 7.5969 114.8734 61.8140 62.5881 177.0020 6 G 3.6786 8.3355 109.3747 47.2461 0.0000 175.7232 7 I 3.8249 7.5522 121.6415 64.1352 37.2937 178.5130 8 V 3.6013 7.9908 119.2976 65.9299 31.4611 177.8470 9 Q 3.9450 8.3679 119.6430 59.3385 28.8493 178.1259 10 Q 4.0261 7.9654 120.3587 59.0769 29.0974 177.9512 11 Q 4.0059 8.2377 119.3030 58.6488 28.6553 178.3126 12 N 4.2723 8.0023 118.0597 56.5801 39.0368 176.2340 13 N 4.2554 7.9658 118.0611 56.9389 39.0414 176.7209 14 L 3.9972 8.2428 120.5206 57.7268 41.6414 179.3073 15 L 3.9932 8.0610 120.2905 58.1518 41.9932 179.1646 16 R 3.8961 8.1292 117.8930 59.2320 29.9462 178.9205 17 A 4.0158 7.9807 120.5673 55.2116 18.3091 179.7878 18 I 3.6988 7.9085 118.3756 64.4552 37.1416 178.5473 19 E 3.9493 8.4765 119.4523 59.3661 29.4083 179.2859 20 A 4.0408 8.0563 120.8676 55.1576 18.4122 179.8090 21 Q 3.9535 8.3331 116.7460 59.0293 28.7574 178.3319 22 Q 3.9951 8.2990 120.8439 59.5430 29.1236 177.9474 23 H 4.0193 8.2683 118.9773 59.3343 29.8916 176.8374 24 L 3.9836 7.8744 121.5219 58.1891 41.8703 178.6076 25 L 4.1148 8.3150 120.6857 57.1706 41.5476 179.1879 26 Q 4.0161 8.4204 119.5088 59.3520 28.8935 178.2258 27 L 4.0334 7.7160 119.7521 58.3772 41.3224 179.8855 28 T 3.9953 8.1662 109.3298 64.7669 68.6976 176.6498 29 V 3.8435 8.3425 121.5076 65.5387 31.6338 177.6413 30 W 4.2609 8.9975 128.6839 60.6548 30.5623 178.0809 31 G 3.7586 8.6832 105.8005 47.8659 0.0000 175.7930 32 I 3.8144 8.0839 122.1205 64.2250 37.3619 178.5079 33 K 3.9231 8.2860 119.3381 59.7173 31.7279 179.3924 34 Q 3.8823 8.1173 118.0751 59.0125 28.6302 178.8764 35 L 3.9363 7.9663 119.9910 57.4599 41.6194 179.0881 36 Q 3.3624 8.5539 119.8992 58.9382 28.5776 178.5459 37 A 3.7971 7.3545 119.8760 55.2622 18.5640 179.3250 38 R 3.8750 7.3989 115.5170 59.3547 30.1907 178.1692 39 I 3.8409 7.6993 118.3675 60.7495 38.7311 175.7303 40 L 3.3464 7.5116 118.0844 56.0187 39.4175 175.1517 41 A 4.5084 6.7651 120.4953 51.1937 19.5727 176.8045 *48 T 4.5176 7.6104 114.2849 61.7153 71.5118 176.9792 49 T 4.0403 7.9259 111.2098 63.4471 69.3331 175.8879 50 W 4.5492 8.3620 121.9008 59.1133 30.1605 178.3638 51 M 4.2937 8.1386 118.9096 58.5108 31.2971 178.5028 52 E 4.1001 8.2608 118.2591 58.7086 29.6707 178.8968 53 W 3.9112 7.8643 127.4119 60.5247 30.7849 177.6009 54 D 4.1993 8.7123 117.9856 57.1594 40.5539 178.2175 55 R 3.9195 7.9163 119.2706 59.2908 30.0793 178.3366 56 E 4.0133 8.1244 118.5079 59.2539 29.4025 179.1132 57 I 3.4230 7.5382 120.1400 64.5931 37.1816 178.1522 58 N 4.3388 7.9697 116.8961 56.3878 38.4233 177.3138 59 N 4.2913 8.5046 118.1785 56.6751 38.6800 177.1095 60 Y 3.8632 8.3283 117.6732 60.6182 37.9377 178.4281 61 T 3.8668 7.9573 117.3040 66.4573 68.5054 176.6934 62 S 4.0276 7.9507 117.0940 61.6541 62.8444 176.4253 63 L 3.8481 7.6226 122.4223 58.4255 41.6764 179.0902 64 I 3.7071 7.8638 119.4791 64.7409 37.0283 178.0053 65 H 4.2096 8.2566 116.9419 59.0424 28.4689 177.8455 66 S 4.1137 8.3617 117.0478 61.6778 62.6608 176.8439 67 L 3.9772 8.1189 121.5730 57.8947 41.4084 179.5686 68 I 3.6967 8.0721 120.0627 64.3261 37.0624 178.0391 69 E 3.8797 8.1556 119.9361 59.4114 29.5911 178.3053 70 E 3.9433 8.4902 119.6476 59.6412 29.5152 179.0620 71 S 4.3216 8.5528 115.4673 61.5675 62.9460 176.6640 72 Q 3.9852 8.2398 120.8604 59.0491 28.5780 178.5743 73 N 4.3469 8.2342 117.4980 56.3868 38.4949 177.3276 74 Q 3.9843 8.2411 121.0079 58.8161 29.0342 177.6944 75 Q 3.9442 8.3447 121.0615 59.2700 29.0125 178.2103 76 E 3.9426 7.9947 119.0152 59.4709 29.5384 179.4981 77 K 3.9237 7.8745 117.9008 59.6152 31.8153 178.9852 78 N 4.3090 8.4366 116.9110 56.5776 38.5120 177.2922 79 E 3.9879 8.4573 119.9965 59.4708 29.4684 179.3576 80 Q 4.0175 8.4516 118.4690 59.1978 28.5715 178.9459 81 E 4.0757 8.0720 118.4124 59.0762 29.4730 179.2293 82 L 4.1461 7.5607 118.1423 57.8386 41.8605 179.1253 83 L 4.1183 7.8203 117.6162 57.6525 41.5947 178.9371 84 E 4.0115 8.4719 118.9038 58.6274 29.5551 176.8117 *85 G 3.8877 7.9346 109.3544 45.2840 0.0000 172.6354 *89 G 4.0011 8.3666 109.0500 45.5324 0.0000 176.9297 90 Q 4.0775 9.1551 128.0818 58.0918 28.9262 176.7912 91 L 3.9077 7.8180 121.4591 58.0292 42.3482 178.3003 92 L 3.9366 7.9534 118.4197 58.0781 41.5123 179.1786 93 S 4.1825 7.9510 112.2902 61.7304 62.2200 176.6322 94 G 3.6846 8.1612 109.4098 47.3025 0.0000 175.6856 95 I 3.7366 8.2059 122.5359 64.1095 37.1525 178.7303 96 V 3.6117 7.9538 119.2736 65.9624 31.3901 177.9213 97 Q 3.9780 8.3859 119.6775 59.1885 28.8121 177.9918 98 Q 4.0526 8.3462 120.7481 58.8568 28.9501 178.0881 99 Q 4.0228 7.8942 119.0967 58.7099 28.6667 177.8660 100 N 4.2959 8.1260 118.0234 56.6934 38.9726 176.6825 101 N 4.3204 8.1991 117.8928 56.3743 38.5955 177.4561 102 L 4.0059 7.7718 120.0272 57.5268 41.6933 179.2169 103 L 3.9390 8.2414 120.6634 58.3444 42.0010 179.2405 104 R 4.2596 8.5250 119.2364 58.6144 29.8877 178.9544 105 A 3.9957 7.9612 120.5222 55.3003 18.4030 179.6129 106 I 3.6792 7.9661 118.4501 64.6506 36.9829 178.5917 107 E 3.9661 8.3501 119.1018 59.4306 29.3724 179.3001 108 A 4.2690 8.3088 120.9551 55.3348 18.4657 179.7461 109 Q 4.0334 8.5913 117.0946 59.0281 28.6934 178.6988 110 Q 4.0227 8.3680 120.8611 59.3858 29.0891 177.7581 111 H 4.1075 8.2555 119.3387 59.0433 29.8403 177.2259 112 L 3.8415 7.9468 120.7253 57.7436 41.4831 179.1965 113 L 4.0624 8.3873 119.1316 58.2951 41.6396 179.6781 114 Q 4.1246 8.2659 117.6485 59.1526 28.5748 179.1552 115 L 4.2035 8.1064 120.2096 57.8926 41.5026 179.7050 116 T 4.3142 8.2413 109.9813 64.8272 68.7560 176.6422 117 V 3.8758 8.4405 121.8215 65.6403 31.5696 177.4737 118 W 4.3296 8.6112 128.0593 60.6565 30.4907 177.8137 119 G 3.4632 8.7046 105.4610 48.0445 0.0000 175.5733 120 I 3.7706 8.1975 122.5493 63.9796 37.0321 178.7256 121 K 3.8895 8.3105 119.4433 59.4529 31.6191 179.4489 122 Q 3.6710 7.3096 117.2612 58.9134 28.5610 178.6119 123 L 4.0225 7.7768 120.1778 57.4360 41.8029 179.2229 124 Q 3.6829 8.0926 116.9223 57.6377 28.3700 176.3022 125 A 4.4555 7.2290 122.2210 52.4395 20.3207 177.9071 126 R 4.5625 7.5291 118.9353 56.7871 33.9849 176.2330 127 I 4.2192 7.4399 112.9717 61.8758 39.0061 177.5334 *137 T 4.4733 8.3142 116.6605 62.2320 70.1057 177.4299 138 W 4.2967 9.0140 118.0574 58.3121 29.2641 177.4364 139 M 4.2767 8.1962 118.9253 58.4018 31.7967 177.4296 140 E 3.9391 8.2315 119.1857 58.8640 29.8167 178.3724 141 W 3.9569 7.7517 128.0688 60.5576 30.7289 177.3120 142 D 4.2899 8.8569 119.2583 57.6204 40.3918 178.8638 143 R 3.8397 8.0202 118.7138 59.6520 30.0142 178.3409 144 E 3.9296 8.0719 118.0778 59.3435 29.3831 179.1118 145 I 3.4845 7.5821 120.1374 64.6261 37.0909 178.1226 146 N 4.2824 8.2337 117.1138 56.3383 38.4252 177.2115 147 N 4.1677 8.0590 117.6892 56.6803 38.5829 177.1772 148 Y 4.0150 7.8486 117.9592 61.0760 37.8921 178.4767 149 T 3.8938 8.3253 117.1825 66.9331 68.7223 176.7864 150 S 4.1216 8.3852 117.3352 61.3199 62.6900 176.6703 151 L 3.9101 7.8241 122.8589 58.3070 41.9468 179.0558 152 I 3.7145 7.9966 119.9507 64.6413 37.0117 177.7955 153 H 4.0834 8.4231 119.1196 59.4741 29.6686 177.2743 154 S 4.1660 8.0645 114.3740 61.1967 62.1586 176.1375 155 L 4.0468 8.1784 122.1280 57.6665 41.3531 179.3955 156 I 3.6791 8.3549 120.1938 64.3780 37.0977 178.1119 157 E 3.8928 8.1396 120.1881 59.1688 29.4630 178.4920 158 E 3.9478 8.3036 119.4644 59.3837 29.7044 178.9771 159 S 4.4702 8.2283 116.6795 61.1102 62.8156 176.7517 160 Q 4.0121 8.2077 120.9753 58.9451 28.4118 178.4038 161 N 4.3673 8.1298 117.5179 56.2109 38.5839 177.3642 162 Q 3.9191 8.1751 121.0792 59.0967 29.1042 177.7231 163 Q 3.9565 8.1816 120.6968 59.2096 28.9285 178.1695 164 E 3.8726 8.1890 120.0650 59.1189 29.7737 178.4098 165 K 3.8334 8.1106 119.6812 59.8808 32.1051 178.3526 166 N 4.3627 8.6819 116.7703 56.2617 38.5005 177.3359 167 E 3.9529 8.5227 120.3239 59.3988 29.0828 178.9089 168 Q 3.9685 8.2449 119.7726 59.5792 29.0601 178.6051 169 E 4.0072 8.2662 119.2902 59.2949 29.2291 179.1419 170 L 4.0300 7.6179 119.5499 57.7553 42.1412 178.8872 171 L 4.1410 7.5420 118.0367 58.3195 41.7112 178.7083 172 E 4.0592 7.7187 116.9140 60.0217 29.5904 178.9927 *177 G 3.8620 7.7377 106.8978 45.6475 0.0000 172.4828 178 Q 4.0224 8.5753 116.5850 58.7247 28.6311 178.1476 179 L 4.6201 7.7944 122.2373 57.6798 42.0712 178.7649 180 L 3.9762 7.9161 118.1210 58.0535 41.5313 179.5109 181 S 4.2179 7.7855 113.8976 61.7769 62.7829 177.1264 182 G 3.8021 8.1520 109.3268 46.6500 0.0000 176.0479 183 I 3.6991 8.2201 122.6131 64.3914 37.0444 178.5845 184 V 3.5915 8.0734 119.3983 66.1188 31.3643 177.8534 185 Q 3.9572 8.4670 119.6108 59.1084 28.5701 177.9694 186 Q 4.0375 8.2656 120.8140 58.7993 29.1202 177.9535 187 Q 4.0238 7.9864 119.0234 58.9739 28.7105 178.4991 188 N 4.3315 7.9209 117.5102 56.3093 38.6019 176.8690 189 N 4.2855 8.0781 117.8407 56.6532 38.7350 177.3232 190 L 4.0045 7.9076 119.8997 57.7061 41.7299 179.5015 191 L 3.9554 7.8724 119.9772 58.2663 42.0942 179.0708 192 R 3.9464 8.2007 117.8890 59.3411 29.9051 178.9563 193 A 4.0394 8.0312 120.4235 55.1100 18.3004 179.7591 194 I 3.6400 7.8960 118.3577 64.6067 36.6974 178.2858 195 E 3.8962 8.3712 119.8777 59.2414 29.4420 178.7529 196 A 4.2075 8.2072 120.9563 55.1041 18.4332 179.5888 197 Q 3.9460 8.3540 116.9599 58.9498 28.7722 178.4536 198 Q 3.9147 8.2759 120.9155 59.7818 28.9893 178.5883 199 H 3.9048 7.6080 115.6989 58.8272 28.7818 177.6143 200 L 3.8835 7.5599 120.4960 57.8064 41.3587 179.6335 201 L 4.0451 8.3064 119.0642 58.0987 41.6562 179.5046 202 Q 4.0629 8.0856 117.8130 59.1209 28.5988 179.2229 203 L 4.2586 8.0048 120.1845 58.0542 41.6884 179.6750 204 T 4.4088 8.1663 109.6347 64.7338 68.8427 176.6925 205 V 3.6846 8.2564 121.4507 65.7078 31.5348 177.6661 206 W 4.1933 8.5952 127.9498 60.5671 30.5719 178.0579 207 G 3.4249 8.7002 105.5681 47.8174 0.0000 175.7486 208 I 3.7838 8.0092 122.2379 64.1441 37.0140 178.7195 209 K 3.8563 8.0095 119.3057 59.4124 31.5523 179.1932 210 Q 3.6043 7.3893 119.1210 58.5967 29.4142 177.8885 211 L 4.1541 7.9016 120.5240 57.7230 41.7662 179.2289 212 Q 4.0155 8.3424 117.7294 59.1837 28.1328 178.0195 213 A 4.1598 7.4161 118.7771 52.9393 18.2698 177.6812 214 R 4.4934 7.8185 115.5954 55.5420 32.3338 175.9489 215 I 4.0250 6.9383 110.6676 60.4406 38.9880 175.6756 216 L 3.9027 8.3390 122.3776 55.7444 42.7994 174.1329 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.42 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 2 Q 8.46 4.49 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 3 L 8.55 3.92 0.00 1.75 1.66 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.82 4.00 0.00 1.73 1.69 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.60 4.21 0.00 4.21 4.14 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 6 G 8.34 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 7 I 7.55 3.82 2.01 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 1.41 1.08 0.91 0.00 0.00 8 V 7.99 3.60 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 0.93 0.00 0.00 9 Q 8.37 3.95 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 10 Q 7.97 4.03 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 11 Q 8.24 4.01 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 12 N 8.00 4.27 0.00 2.79 2.99 0.00 0.00 6.74 6.41 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 13 N 7.97 4.26 0.00 2.91 2.92 0.00 0.00 7.29 5.95 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 14 L 8.24 4.00 0.00 1.84 1.71 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.06 3.99 0.00 1.77 1.88 0.93 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 16 R 8.13 3.90 0.00 2.18 1.96 0.00 3.17 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 17 A 7.98 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.91 3.70 2.01 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 1.54 0.72 0.96 0.00 0.00 19 E 8.48 3.95 0.00 2.18 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 2.33 2.46 0.00 20 A 8.06 4.04 1.39 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 21 Q 8.33 3.95 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 22 Q 8.30 4.00 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 23 H 8.27 4.02 0.00 3.31 3.51 0.00 5.84 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 24 L 7.87 3.98 0.00 1.85 1.70 0.97 0.60 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 25 L 8.31 4.11 0.00 2.02 1.78 0.97 0.70 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 26 Q 8.42 4.02 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 27 L 7.72 4.03 0.00 2.05 1.79 0.80 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.17 4.00 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 1.39 0.00 0.00 29 V 8.34 3.84 2.44 0.00 0.00 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 1.10 0.00 0.00 30 W 9.00 4.26 0.00 3.60 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 31 G 8.68 3.76 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 0.00 0.00 0.00 32 I 8.08 3.81 2.35 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.04 1.11 0.00 0.00 33 K 8.29 3.92 0.00 1.79 1.76 0.00 1.52 0.00 0.00 1.45 0.00 0.00 3.31 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.82 1.98 7.81 34 Q 8.12 3.88 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 35 L 7.97 3.94 0.00 1.76 1.61 0.91 0.62 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 36 Q 8.55 3.36 0.00 1.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.76 2.03 0.00 37 A 7.35 3.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.96 3.87 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 1.10 0.00 0.00 62 S 7.95 4.03 0.00 3.97 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 63 L 7.62 3.85 0.00 1.56 1.61 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.86 3.71 1.90 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 1.58 0.78 1.04 0.00 0.00 65 H 8.26 4.21 0.00 3.36 3.33 0.00 5.65 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 66 S 8.36 4.11 0.00 3.98 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 67 L 8.12 3.98 0.00 1.84 1.72 0.93 1.06 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 68 I 8.07 3.70 1.88 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 0.91 0.91 0.00 0.00 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0.00 0.00 1.61 1.76 7.81 122 Q 7.31 3.67 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 123 L 7.78 4.02 0.00 1.72 1.57 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.09 3.68 0.00 1.10 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.05 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 125 A 7.23 4.46 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.53 4.56 0.00 1.77 1.79 0.00 3.17 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 127 I 7.44 4.22 1.70 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 1.25 0.57 0.83 0.00 0.00 *137 T 8.31 4.47 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 138 W 9.01 4.30 0.00 3.51 3.52 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 0.00 0.00 0.00 0.00 139 M 8.20 4.28 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.66 0.00 140 E 8.23 3.94 0.00 2.12 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 0.00 2.27 2.34 0.00 141 W 7.75 3.96 0.00 3.01 3.53 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 0.00 142 D 8.86 4.29 0.00 3.00 2.80 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 0.00 143 R 8.02 3.84 0.00 2.01 2.06 0.00 3.06 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 144 E 8.07 3.93 0.00 2.05 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 2.29 2.48 0.00 145 I 7.58 3.48 1.62 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 -0.36 0.70 0.00 0.00 146 N 8.23 4.28 0.00 2.66 2.82 0.00 0.00 7.13 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 0.00 147 N 8.06 4.17 0.00 2.64 2.51 0.00 0.00 7.07 6.80 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 0.00 148 Y 7.85 4.01 0.00 3.08 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 0.00 149 T 8.33 3.89 4.35 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 1.23 0.00 0.00 150 S 8.39 4.12 0.00 3.91 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 0.00 151 L 7.82 3.91 0.00 1.78 1.82 0.90 0.99 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 0.00 152 I 8.00 3.71 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 1.00 0.00 0.00 153 H 8.42 4.08 0.00 3.31 3.46 0.00 5.58 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.06 4.17 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.18 4.05 0.00 1.86 1.71 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.35 3.68 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 1.41 0.76 0.88 0.00 0.00 157 E 8.14 3.89 0.00 2.16 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 2.29 2.27 0.00 158 E 8.30 3.95 0.00 2.22 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 2.30 2.39 0.00 159 S 8.23 4.47 0.00 4.05 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 0.00 160 Q 8.21 4.01 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 161 N 8.13 4.37 0.00 2.89 2.86 0.00 0.00 6.66 7.87 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 0.00 162 Q 8.18 3.92 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 163 Q 8.18 3.96 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 164 E 8.19 3.87 0.00 2.09 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 2.30 2.31 0.00 165 K 8.11 3.83 0.00 2.02 1.92 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 166 N 8.68 4.36 0.00 2.89 2.85 0.00 0.00 7.11 7.58 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 0.00 167 E 8.52 3.95 0.00 2.10 1.99 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 2.33 2.31 0.00 168 Q 8.24 3.97 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 169 E 8.27 4.01 0.00 2.20 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 2.42 0.00 170 L 7.62 4.03 0.00 1.78 1.89 0.92 1.05 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 0.00 171 L 7.54 4.14 0.00 1.79 1.71 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 172 E 7.72 4.06 0.00 1.97 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 2.34 2.44 0.00 *177 G 7.74 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 0.00 0.00 0.00 178 Q 8.58 4.02 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.82 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 179 L 7.79 4.62 0.00 1.70 1.67 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 180 L 7.92 3.98 0.00 1.72 1.71 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 181 S 7.79 4.22 0.00 4.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 8.15 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 0.00 0.00 0.00 183 I 8.22 3.70 2.07 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 1.41 1.22 0.91 0.00 0.00 184 V 8.07 3.59 2.20 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 0.99 0.00 0.00 0.95 0.00 0.00 185 Q 8.47 3.96 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 186 Q 8.27 4.04 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 187 Q 7.99 4.02 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 188 N 7.92 4.33 0.00 2.81 2.87 0.00 0.00 7.04 6.78 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 0.00 189 N 8.08 4.29 0.00 3.03 2.89 0.00 0.00 7.07 6.88 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 0.00 190 L 7.91 4.00 0.00 1.71 1.73 0.93 0.59 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 0.00 191 L 7.87 3.96 0.00 1.80 1.85 0.93 0.94 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 0.00 192 R 8.20 3.95 0.00 2.02 2.00 0.00 3.36 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 193 A 8.03 4.04 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 0.00 194 I 7.90 3.64 2.00 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 1.42 0.78 0.92 0.00 0.00 195 E 8.37 3.90 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 196 A 8.21 4.21 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 197 Q 8.35 3.95 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 198 Q 8.28 3.91 0.00 2.11 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 199 H 7.61 3.90 0.00 2.81 2.25 0.00 5.88 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 0.00 200 L 7.56 3.88 0.00 1.93 1.73 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 201 L 8.31 4.05 0.00 1.92 1.75 1.01 1.05 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 0.00 202 Q 8.09 4.06 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 203 L 8.00 4.26 0.00 1.88 1.77 0.77 0.54 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 0.00 204 T 8.17 4.41 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 205 V 8.26 3.68 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 1.07 0.00 0.00 1.08 0.00 0.00 206 W 8.60 4.19 0.00 3.68 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 G 8.70 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 I 8.01 3.78 1.94 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 1.64 0.99 0.96 0.00 0.00 209 K 8.01 3.86 0.00 1.74 1.65 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.54 7.81 210 Q 7.39 3.60 0.00 1.18 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 1.16 1.95 0.00 211 L 7.90 4.15 0.00 1.87 1.63 0.88 0.52 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 0.00 212 Q 8.34 4.02 0.00 2.27 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 213 A 7.42 4.16 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 0.00 214 R 7.82 4.49 0.00 1.91 1.88 0.00 3.39 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.49 0.00 215 I 6.94 4.03 1.81 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 1.27 0.51 0.84 0.00 0.00 216 L 8.34 3.90 0.00 1.74 1.65 0.89 0.83 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 * Residues marked with a * may have inaccurate shift predictions.