NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.4388 8.0176 115.2481 62.0131 68.3731 172.6447 6 Q 5.1591 8.6837 125.2699 50.3530 31.8996 172.5430 7 P 4.5054 0.0000 0.0000 62.1450 33.2702 176.7222 8 P 4.8509 0.0000 0.0000 64.2688 32.7325 175.8175 9 S 5.2787 8.0820 114.6131 55.1701 66.3599 172.9464 *11 A 4.5825 8.7374 123.9040 51.9498 19.9323 175.3811 12 S 5.1634 8.2827 115.6237 56.8418 66.2862 173.5731 13 G 4.1986 8.2973 105.4159 45.8759 0.0000 172.5429 14 T 5.0122 7.9416 111.9455 58.9052 71.4647 172.6169 15 P 4.4971 0.0000 0.0000 64.5295 31.7518 177.0726 16 G 3.9165 8.7498 111.5547 45.0368 0.0000 173.5440 17 Q 4.1789 8.1035 123.7495 56.7118 30.6130 175.4739 18 R 4.8356 8.3593 123.8908 55.3051 31.0457 176.5890 19 V 4.5035 8.8562 124.3174 60.3451 35.3760 174.3021 20 T 4.9898 8.1773 119.1341 61.7713 72.2411 173.4344 21 I 4.6199 8.4375 126.5076 59.4105 40.3887 174.4859 22 S 5.0205 8.7604 121.6615 57.1996 65.4886 173.6165 23 C 5.4187 10.0682 124.5147 54.7809 45.0403 172.7226 24 S 4.9152 9.8856 120.6760 54.6465 65.4180 176.2245 25 G 3.9882 6.8597 108.6405 46.0524 0.0000 174.9111 26 S 4.2935 7.9488 122.7614 56.0909 64.0635 173.1938 27 T 3.5917 8.4576 122.1074 62.8307 66.7683 172.4205 *31 N 4.6178 7.8932 123.7224 53.5595 40.9875 174.0998 32 Y 4.6902 7.8036 119.0533 58.2934 39.4508 175.5057 33 V 4.9717 8.8931 123.3329 61.4460 34.6592 173.9121 34 Y 5.2567 9.4738 124.5229 56.0039 41.8401 174.4918 35 W 5.4298 9.2180 121.2816 55.2605 32.9284 174.2234 36 Y 5.2923 9.7991 121.2232 56.2963 41.6449 174.0669 37 Q 4.3846 9.4723 125.2368 54.5011 31.4678 174.0227 38 Q 4.8059 8.8305 129.2368 53.7305 29.8984 174.1499 39 L 3.8315 8.6707 125.1193 55.8170 42.6699 176.2166 40 P 3.4088 0.0000 0.0000 63.4052 32.3591 175.9277 41 G 4.0264 8.3973 109.0265 45.9044 0.0000 172.9595 42 T 4.5478 7.6377 110.3371 59.1026 71.3692 173.0709 43 A 4.4565 8.0948 122.3477 50.4972 19.7708 175.8948 44 P 4.6325 0.0000 0.0000 62.8235 32.5532 175.8491 45 K 4.7000 9.1924 122.4400 54.2818 35.9668 175.1771 46 L 4.1464 8.8547 129.0779 55.9036 42.0741 175.4628 47 L 4.5228 8.9083 126.2679 56.0492 43.3027 177.0040 48 I 5.1273 7.5856 118.3452 59.6804 41.7168 173.6305 49 Y 5.0389 8.7286 123.7199 55.2670 41.6496 175.2151 50 R 2.5100 8.1305 117.1624 57.2065 27.4369 176.2563 51 D 5.1219 8.1331 126.0103 54.9203 40.2778 177.9199 52 R 4.6574 7.1857 113.8814 56.2894 31.7760 179.2731 53 R 3.9388 7.3116 116.2969 55.9942 30.4735 175.5205 54 R 4.9938 8.1340 120.2820 53.5131 32.1302 174.1901 55 P 4.5769 0.0000 0.0000 62.4470 32.8479 175.6008 56 S 4.1577 8.6829 115.7621 60.4652 62.3483 174.4136 57 G 3.9234 9.3854 114.5113 45.1345 0.0000 173.1706 58 V 4.1260 7.1800 119.4907 60.1233 31.6035 173.3521 59 P 4.3785 0.0000 0.0000 62.6080 32.0993 177.0566 60 D 4.4330 9.0035 121.2154 58.0265 41.0434 178.3270 61 R 3.8939 8.1259 117.1821 59.0818 31.1233 176.7075 62 F 5.0595 8.0425 117.8643 56.3980 39.8924 175.9632 63 S 4.6899 9.2012 117.7244 57.0429 66.3477 173.4159 64 G 4.5615 8.9009 108.0198 43.5959 0.0000 171.6032 65 S 4.9350 9.0032 115.1060 56.4275 67.1033 172.7937 66 K 4.9916 8.6183 120.1265 54.7730 34.3134 175.7752 67 S 4.5223 9.0204 118.8952 57.7581 66.5277 173.7662 68 G 3.7672 8.5094 115.8362 47.4603 0.0000 176.2142 69 T 4.3593 8.0622 106.7612 57.9898 67.9227 174.2777 70 S 5.2496 7.1357 121.3852 58.7481 66.7033 177.1131 71 A 5.4480 8.1068 126.8884 50.5781 21.8440 175.4811 72 S 5.2315 9.4630 113.4296 57.1363 67.5602 173.0292 73 L 4.1413 8.6711 123.9693 53.1058 43.0303 175.0338 74 A 4.6323 8.5497 130.2368 50.9753 20.0986 175.7262 75 I 4.3390 8.5954 124.0060 59.7588 40.6339 174.9083 76 S 4.5887 8.5609 125.2430 56.6485 65.1706 174.3131 77 G 3.7345 7.1946 104.5159 46.9051 0.0000 174.0725 78 L 3.5079 6.9814 118.1406 52.4834 41.1206 175.8249 79 R 5.1349 9.2357 120.6922 53.9380 34.1867 176.5837 80 S 4.2760 8.5112 112.6814 61.3888 63.2462 176.3522 81 E 4.0168 8.1986 119.3114 58.7416 29.2633 177.0957 82 D 4.7731 7.6905 116.5311 54.4605 41.2606 175.8505 83 E 4.3447 8.4089 121.6318 57.2245 30.0184 175.4143 84 A 4.4471 8.4621 127.5727 51.9715 24.1340 173.6580 85 D 5.2444 8.2159 117.7834 53.5610 42.9124 175.8112 86 Y 5.1959 8.8481 121.4943 56.6071 40.4898 174.2136 87 Y 5.4699 9.3569 122.9136 56.3834 40.8321 172.8124 88 C 4.7991 9.3589 118.8823 54.2851 41.8431 172.4874 89 A 5.3904 9.2475 121.9587 50.4932 22.8140 174.7364 90 W 5.6589 8.7268 115.4610 56.1224 32.0414 172.8722 91 Y 3.9695 8.4659 121.7063 55.4129 39.7269 174.4799 92 D 4.3862 8.5049 130.9872 54.5186 40.0332 177.5672 93 R 3.9129 8.1842 128.4389 60.2546 29.5819 175.1713 94 E 4.3293 8.0605 116.4308 59.0921 30.0429 177.3767 95 L 4.2135 8.1709 116.9135 53.9681 42.3857 176.5934 95A S 3.5502 7.6990 113.4147 58.3508 61.1546 171.6194 95B E 4.7019 6.7806 116.1366 54.1932 34.2537 175.2292 96 W 4.6539 8.6356 121.5453 56.3736 30.1499 176.0751 97 V 4.1937 8.4898 123.3657 60.8479 34.7259 173.9139 98 F 5.0961 8.2823 123.7287 55.1088 40.2493 175.6468 99 G 4.2875 9.7717 110.8634 46.7503 0.0000 174.6691 100 G 3.7974 9.0150 108.9195 46.6175 0.0000 175.0171 101 G 3.4974 8.7131 106.1833 45.3888 0.0000 172.8968 102 T 5.0861 8.0372 114.6346 60.0940 71.7573 173.5193 103 K 5.1051 9.2474 129.5167 55.9912 33.2295 175.2701 104 L 5.1880 9.0962 128.8434 53.6721 45.0775 174.8152 105 T 4.8397 8.8246 123.3333 61.8521 70.9102 173.6331 106 V 4.4773 8.4812 127.5205 61.4058 32.0359 175.7714 107 L 5.1550 8.8054 128.7890 54.9636 41.9562 177.7571 108 Q 4.6579 8.4328 115.3235 56.2021 33.3754 172.4617 109 P 4.4807 0.0000 0.0000 61.5351 35.6997 174.5806 110 K 4.4889 7.7622 117.7669 55.5528 34.7008 172.8791 111 A 4.5892 7.6959 122.6511 51.7160 22.6876 176.1453 112 A 4.8922 8.0265 122.4786 50.4315 21.5584 173.9503 113 P 5.1947 0.0000 0.0000 61.4221 33.3386 174.9908 114 S 4.5636 9.1911 119.2387 57.1230 63.5825 172.5989 115 V 4.7918 8.3061 127.2824 61.3952 33.6533 174.7688 116 T 4.4300 8.5218 123.4481 61.5942 72.2205 172.3976 117 L 4.8976 8.3656 128.5111 53.5738 43.6672 175.1580 118 F 5.0125 9.3166 126.5853 55.4892 40.8654 174.4113 119 P 4.8627 0.0000 0.0000 60.8981 33.2948 173.8238 120 P 4.2488 0.0000 0.0000 62.1270 31.6775 177.2026 121 S 4.2180 8.6973 118.8789 58.3761 63.1533 175.4228 122 S 4.1349 8.7284 117.7485 61.9184 62.8079 176.5731 123 E 4.0482 7.7743 120.1130 58.7027 29.2296 178.1397 124 E 3.9678 7.9454 119.1613 58.6102 29.7000 178.4530 125 L 4.6244 7.4398 119.2705 57.0343 41.4009 179.1378 126 Q 4.0939 7.5612 116.9020 58.0571 28.7199 177.5149 127 A 4.1993 7.8019 120.4315 52.1875 18.8755 177.0637 128 N 4.4484 8.0153 114.5823 53.9822 38.1279 173.3069 129 K 4.8089 7.6003 113.4683 54.3093 37.4506 175.3747 130 A 4.2896 8.2123 121.1607 51.6905 22.1144 175.3949 131 T 4.7927 8.2797 119.5555 62.1661 70.8675 174.2554 132 L 4.6322 8.9165 127.0492 53.5386 43.8739 175.7397 133 V 4.8000 8.8767 123.5424 61.3357 34.3210 173.3037 134 C 5.3399 9.8372 129.4494 55.1266 41.6237 172.4344 135 L 4.9186 8.8551 128.1927 53.3956 43.2134 175.7434 136 I 5.0078 9.1099 126.3207 59.5798 39.6530 175.3468 137 S 5.1622 9.0155 120.7046 56.4914 67.3924 173.0609 138 D 4.5766 8.7072 116.4977 55.5433 38.4851 173.6869 139 F 5.2592 7.7750 111.7281 54.3855 41.1927 173.8347 140 Y 5.0107 8.6068 121.8908 55.2559 42.1394 172.7062 141 P 3.3058 0.0000 0.0000 61.4325 32.6156 177.4999 142 G 3.7075 7.8273 110.2981 44.5274 0.0000 172.6530 143 A 4.5006 7.9067 121.8022 51.6206 21.5995 176.0610 144 V 4.7613 8.2888 121.6588 61.8204 35.3975 174.5678 145 T 4.6370 8.6494 121.3043 61.6273 71.3674 173.3188 146 V 4.6979 8.5268 125.4651 61.0935 33.8643 174.1579 147 A 4.8872 8.7716 130.2794 49.9317 21.6525 174.8272 148 W 5.1635 8.8663 121.4374 54.9047 32.3942 175.1281 149 K 5.1045 9.4494 122.1825 54.6300 35.7831 175.0455 150 A 3.8120 8.9147 126.8980 51.7862 20.4529 178.4813 151 D 4.2130 8.6766 126.0158 55.9643 40.0229 175.3202 152 S 4.4557 9.1738 120.4674 59.7606 64.6331 173.0743 153 S 4.4060 7.9436 117.7978 56.7364 62.8480 171.8931 154 P 4.7379 0.0000 0.0000 62.9886 31.6417 176.1081 155 V 4.6044 9.3266 124.7793 60.4683 33.8191 176.1924 156 K 4.5242 8.5242 120.7596 54.7965 34.6128 176.2830 157 A 4.3211 7.9530 120.5121 53.4185 19.1368 177.6253 158 G 3.8563 8.9821 110.7755 44.8713 0.0000 172.6888 159 V 4.3437 6.8561 119.9027 62.2874 32.6186 175.3958 160 E 4.7528 9.5059 127.0666 55.2700 33.4535 174.3624 161 T 5.3078 8.7551 121.2323 61.8904 71.4684 173.9656 162 T 4.6463 8.8828 116.8208 60.6477 70.6053 174.7578 163 T 4.1740 8.4038 113.7802 60.7045 69.7360 172.6375 164 P 4.6456 0.0000 0.0000 63.4027 32.1813 175.9961 165 S 5.0455 8.4237 118.6836 57.0539 66.4627 172.1925 166 K 4.6849 8.4577 121.1616 54.6081 34.9271 177.2288 166 S 4.8349 8.4777 116.4616 56.7081 65.6271 175.2288 169 N 4.7605 8.4671 116.6761 53.8277 40.0078 175.0840 170 N 4.6421 8.3432 116.0113 52.9235 38.5128 173.9638 171 K 4.3602 7.6415 119.3394 56.7693 33.1621 177.3664 *172 Y 4.6876 8.5094 124.9254 57.1835 38.7147 171.9590 173 A 5.2427 7.8583 117.6707 52.1512 22.8087 175.4144 174 A 5.3647 9.5447 123.7382 50.1110 23.5497 174.7188 175 S 5.0779 8.7606 112.1553 56.9070 67.0438 173.3807 176 S 5.0591 8.9798 116.3731 57.2737 65.8887 171.9626 177 Y 5.2637 9.3991 125.1713 56.2644 40.6965 174.2702 178 L 4.5030 8.2227 125.9518 53.1609 44.4503 174.9666 179 S 5.1224 8.2993 122.6639 56.7364 64.7136 173.2894 180 L 5.2155 8.6483 124.6825 54.2429 44.6608 175.8213 181 T 4.4934 9.0060 109.3047 59.9984 70.1545 174.2957 182 P 4.4126 0.0000 0.0000 65.6306 31.1580 178.9202 183 E 4.0926 8.1842 117.3575 59.3532 29.3360 178.8440 184 Q 4.2334 7.5058 117.2272 58.1349 29.0939 178.4926 185 W 4.5155 8.5364 131.8351 60.4058 30.6601 178.1786 186 K 4.2113 7.8053 121.1522 57.1208 31.8389 179.8846 187 S 4.8160 7.8155 113.0548 58.8051 63.4080 173.1105 188 H 4.9634 7.2348 120.2700 54.7393 32.5674 174.5934 189 R 3.9685 8.8242 121.2483 58.9883 29.5485 177.3212 190 S 5.0597 7.6735 111.3999 56.9009 66.9052 171.5681 191 Y 5.2601 9.4469 118.9778 56.5243 42.4218 174.7483 192 S 5.1926 9.5143 119.2636 56.9134 66.9533 172.0147 193 C 4.1507 8.7609 124.4117 54.6029 46.5821 172.4015 194 Q 4.5759 8.0296 126.0151 54.8650 31.8224 173.6398 195 V 4.7552 8.2593 120.1740 59.9315 34.6872 175.2029 196 T 4.9009 8.7771 120.6111 62.0233 71.8255 172.5390 197 H 4.7227 9.5002 126.8001 54.2462 32.8436 173.2498 198 E 3.8956 9.7053 127.5901 57.5566 26.8345 175.9775 199 G 3.9050 8.2391 104.2980 45.4447 0.0000 173.1590 200 S 4.6790 7.8172 115.1265 56.4596 63.9667 172.5834 201 T 4.9086 8.3671 121.2155 59.9907 69.8428 172.8229 202 V 4.3937 8.6188 128.4282 59.7982 33.8762 174.0126 203 E 5.0227 8.8078 126.0410 54.0963 32.0097 174.8940 204 K 4.7543 9.3037 125.7830 55.0414 35.5783 175.1793 205 T 5.3497 8.2437 117.3543 62.4309 72.8453 173.4910 206 V 4.8051 8.9999 115.0530 60.3854 36.8086 173.6917 207 A 4.9289 8.4905 123.5320 48.8960 21.9529 176.1470 208 P 2.9700 0.0000 0.0000 61.1953 30.4408 176.6299 209 T 4.1928 7.3459 112.5835 62.0851 68.6280 173.6772 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 5 T 8.02 4.44 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 1.24 0.00 0.00 6 Q 8.68 5.16 0.00 2.36 2.47 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 7 P 0.00 4.51 0.00 2.51 2.25 0.00 3.53 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 8 P 0.00 4.85 0.00 2.17 2.38 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.83 0.00 9 S 8.08 5.28 0.00 3.86 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 *11 A 8.74 4.58 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 12 S 8.28 5.16 0.00 3.85 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 13 G 8.30 4.20 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 0.00 14 T 7.94 5.01 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 15 P 0.00 4.50 0.00 2.05 2.04 0.00 3.68 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 2.10 0.00 16 G 8.75 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 0.00 0.00 0.00 17 Q 8.10 4.18 0.00 2.22 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 18 R 8.36 4.84 0.00 1.62 1.70 0.00 3.26 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 19 V 8.86 4.50 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 0.98 0.00 0.00 0.85 0.00 0.00 20 T 8.18 4.99 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 1.17 0.00 0.00 21 I 8.44 4.62 1.57 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 1.16 0.00 0.00 22 S 8.76 5.02 0.00 3.96 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 23 C 10.07 5.42 0.00 3.10 3.36 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 24 S 9.89 4.92 0.00 3.85 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 25 G 6.86 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 26 S 7.95 4.29 0.00 3.73 3.67 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 27 T 8.46 3.59 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 1.17 0.00 0.00 *31 N 7.89 4.62 0.00 2.76 2.57 0.00 0.00 7.03 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 32 Y 7.80 4.69 0.00 3.16 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 33 V 8.89 4.97 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 0.87 0.00 0.00 0.97 0.00 0.00 34 Y 9.47 5.26 0.00 2.89 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 35 W 9.22 5.43 0.00 3.27 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 36 Y 9.80 5.29 0.00 3.09 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 37 Q 9.47 4.38 0.00 1.74 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.02 1.56 0.00 38 Q 8.83 4.81 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 39 L 8.67 3.83 0.00 1.63 1.59 0.92 1.12 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 40 P 0.00 3.41 0.00 2.08 1.85 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 41 G 8.40 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 0.00 0.00 0.00 42 T 7.64 4.55 4.23 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.26 2.10 0.00 51 D 8.13 5.12 0.00 2.91 2.95 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 0.00 0.00 0.00 52 R 7.19 4.66 0.00 1.80 1.81 0.00 3.16 0.00 0.00 3.88 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.14 0.00 53 R 7.31 3.94 0.00 0.67 1.14 0.00 3.00 0.00 0.00 3.01 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.33 0.00 54 R 8.13 4.99 0.00 1.68 1.89 0.00 3.67 0.00 0.00 3.66 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 55 P 0.00 4.58 0.00 2.15 2.24 0.00 4.04 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 56 S 8.68 4.16 0.00 3.93 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 57 G 9.39 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 0.00 0.00 0.00 58 V 7.18 4.13 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 0.87 0.00 0.00 1.00 0.00 0.00 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1.97 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 0.73 0.00 0.00 0.80 0.00 0.00 116 T 8.52 4.43 4.04 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 0.58 0.00 0.00 117 L 8.37 4.90 0.00 1.54 1.53 1.23 0.89 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 0.00 118 F 9.32 5.01 0.00 3.04 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 0.00 119 P 0.00 4.86 0.00 2.07 2.34 0.00 3.98 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 2.06 2.18 0.00 120 P 0.00 4.25 0.00 1.41 1.79 0.00 2.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.30 0.00 121 S 8.70 4.22 0.00 3.95 3.95 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 0.00 0.00 0.00 122 S 8.73 4.13 0.00 3.91 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 0.00 123 E 7.77 4.05 0.00 2.09 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 2.27 2.29 0.00 124 E 7.95 3.97 0.00 2.03 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 2.30 2.26 0.00 125 L 7.44 4.62 0.00 1.96 1.71 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 7.56 4.09 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 127 A 7.80 4.20 1.31 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 0.00 128 N 8.02 4.45 0.00 2.89 3.00 0.00 0.00 6.92 6.74 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 0.00 129 K 7.60 4.81 0.00 1.58 1.57 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.30 7.81 130 A 8.21 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 8.28 4.79 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 132 L 8.92 4.63 0.00 1.24 1.72 0.59 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.88 4.80 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 0.94 0.00 0.00 1.13 0.00 0.00 134 C 9.84 5.34 0.00 3.12 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 0.00 135 L 8.86 4.92 0.00 1.75 1.68 1.16 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 136 I 9.11 5.01 2.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.63 0.00 0.00 137 S 9.02 5.16 0.00 3.89 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 0.00 138 D 8.71 4.58 0.00 2.86 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 0.00 139 F 7.78 5.26 0.00 2.83 3.08 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 0.00 140 Y 8.61 5.01 0.00 3.03 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 0.00 141 P 0.00 3.31 0.00 1.81 1.34 0.00 3.88 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 142 G 7.83 3.71 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 0.00 0.00 0.00 143 A 7.91 4.50 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 V 8.29 4.76 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 0.67 0.00 0.00 0.09 0.00 0.00 145 T 8.65 4.64 4.20 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 1.19 0.00 0.00 146 V 8.53 4.70 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 0.82 0.00 0.00 147 A 8.77 4.89 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 0.00 148 W 8.87 5.16 0.00 3.50 3.18 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 0.00 149 K 9.45 5.10 0.00 1.79 1.65 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.37 7.81 150 A 8.91 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.68 4.21 0.00 2.69 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 0.00 0.00 0.00 0.00 152 S 9.17 4.46 0.00 3.77 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 0.00 153 S 7.94 4.41 0.00 3.94 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 0.00 0.00 154 P 0.00 4.74 0.00 2.06 2.04 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 155 V 9.33 4.60 2.17 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 0.93 0.00 0.00 1.06 0.00 0.00 156 K 8.52 4.52 0.00 1.66 1.79 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 0.96 7.81 157 A 7.95 4.32 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 0.00 158 G 8.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 V 6.86 4.34 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 0.94 0.00 0.00 0.81 0.00 0.00 160 E 9.51 4.75 0.00 1.93 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 2.24 2.43 0.00 161 T 8.76 5.31 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 162 T 8.88 4.65 4.32 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 1.36 0.00 0.00 163 T 8.40 4.17 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 1.26 0.00 0.00 164 P 0.00 4.65 0.00 1.97 2.13 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 2.36 2.34 0.00 165 S 8.42 5.05 0.00 3.88 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 0.00 166 K 8.46 4.68 0.00 1.74 1.75 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.45 7.81 166 S 8.48 4.83 0.00 3.79 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 0.00 169 N 8.47 4.76 0.00 2.69 2.90 0.00 0.00 7.31 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 0.00 170 N 8.34 4.64 0.00 2.78 3.12 0.00 0.00 7.08 6.68 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 0.00 171 K 7.64 4.36 0.00 1.67 1.61 0.00 2.04 0.00 0.00 2.05 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.59 7.81 *172 Y 8.51 4.69 0.00 2.03 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 0.00 0.00 0.00 173 A 7.86 5.24 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 0.00 174 A 9.54 5.36 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 S 8.76 5.08 0.00 3.54 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 0.00 176 S 8.98 5.06 0.00 3.97 3.95 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 0.00 0.00 0.00 177 Y 9.40 5.26 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.22 4.50 0.00 0.27 0.72 0.56 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 179 S 8.30 5.12 0.00 3.83 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 0.00 180 L 8.65 5.22 0.00 1.67 1.87 0.65 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 181 T 9.01 4.49 4.44 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 0.00 0.00 0.00 1.24 0.00 0.00 182 P 0.00 4.41 0.00 2.23 2.20 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 183 E 8.18 4.09 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 184 Q 7.51 4.23 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.00 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 185 W 8.54 4.52 0.00 3.30 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 K 7.81 4.21 0.00 1.84 1.69 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.30 7.81 187 S 7.82 4.82 0.00 4.00 4.41 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 0.00 188 H 7.23 4.96 0.00 3.35 3.06 0.00 5.66 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.82 3.97 0.00 1.84 1.84 0.00 3.22 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 190 S 7.67 5.06 0.00 3.82 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 Y 9.45 5.26 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 S 9.51 5.19 0.00 3.70 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 0.00 193 C 8.76 4.15 0.00 1.73 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Q 8.03 4.58 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 195 V 8.26 4.76 1.87 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 0.45 0.00 0.00 0.70 0.00 0.00 196 T 8.78 4.90 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 1.17 0.00 0.00 197 H 9.50 4.72 0.00 2.91 3.03 0.00 5.73 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 E 9.71 3.90 0.00 2.10 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 1.88 2.17 0.00 199 G 8.24 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 0.00 0.00 0.00 200 S 7.82 4.68 0.00 3.86 3.84 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 0.00 201 T 8.37 4.91 4.20 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 1.17 0.00 0.00 202 V 8.62 4.39 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.85 0.00 0.00 203 E 8.81 5.02 0.00 1.88 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 2.09 2.22 0.00 204 K 9.30 4.75 0.00 1.60 1.57 0.00 1.47 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.35 7.81 205 T 8.24 5.35 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 0.00 206 V 9.00 4.81 2.39 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 0.75 0.00 0.00 1.41 0.00 0.00 207 A 8.49 4.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 P 0.00 2.97 0.00 1.54 0.86 0.00 3.54 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.44 0.00 209 T 7.35 4.19 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 1.13 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.