NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6301 8.2233 119.5545 52.9018 42.2088 177.5187 3 I 3.7204 7.8860 124.3872 64.9036 37.4393 177.0808 4 I 3.7803 8.6319 121.2156 64.4918 38.1495 176.8857 5 N 4.5780 8.1617 117.3030 55.8142 38.3374 176.3537 6 N 4.7693 8.1137 114.4561 53.6997 39.4905 175.0984 7 R 4.1970 7.9437 119.3747 56.6694 30.4066 175.7385 8 R 4.7465 8.4686 122.9820 54.0783 33.8007 175.4231 9 S 4.5387 8.6582 116.2729 58.5947 62.8289 173.9597 10 I 4.4383 8.5353 127.2454 59.7462 38.6744 175.9509 11 R 4.5366 8.3308 122.2441 55.5706 31.3819 174.3105 12 N 4.7544 6.8464 116.7756 52.2684 42.3329 172.6704 13 Y 5.3936 8.1872 121.9647 55.8730 42.1214 175.3311 14 K 4.3163 9.2514 122.0183 56.4241 32.6347 177.8227 15 G 3.7226 8.7615 109.8221 47.3429 0.0000 174.4508 16 K 3.8442 8.1391 120.8825 56.6720 32.4605 176.4177 17 K 4.2022 8.4806 125.1671 56.2229 32.7336 176.6212 18 V 4.0004 8.1451 121.9846 62.0358 32.3358 176.4616 19 E 4.1215 8.8555 126.7570 56.4447 31.2576 177.9728 20 K 3.8885 8.8027 122.4198 59.8873 32.2098 179.3780 21 E 4.0107 8.1317 117.1100 59.3508 29.4729 179.2692 22 K 4.0065 7.8712 118.9940 59.0276 32.2998 179.0734 23 I 3.5992 7.7948 120.1994 64.4174 37.0045 177.9656 24 E 3.8577 8.1041 119.9092 59.2893 29.4016 178.9516 25 K 3.9209 7.9588 118.3652 59.4142 32.0824 179.2383 26 L 3.8719 8.0132 119.2913 57.8363 41.2988 179.6581 27 L 3.4746 7.3373 117.2894 57.4101 41.5585 179.3199 28 R 3.9119 7.9653 117.4649 59.1110 30.0687 178.5945 29 A 4.0398 7.7818 119.1859 54.8842 18.6766 180.1224 30 A 3.7438 7.3750 116.8272 52.9504 18.4771 178.8773 *32 Q 4.1843 7.9658 117.0037 56.4836 30.6312 175.7634 33 A 4.1627 7.3640 121.5444 51.0784 18.9368 175.9926 34 P 4.6746 0.0000 0.0000 63.0512 32.4133 175.9392 35 S 4.7723 8.2317 111.6921 56.6348 65.7918 173.6625 36 A 4.1147 9.4712 126.9770 53.8202 18.4566 178.3947 37 G 3.6882 9.0940 109.7728 45.2175 0.0000 172.7134 38 N 4.1619 8.2095 115.6869 54.1015 37.8801 175.4491 39 Q 3.8588 8.0392 115.3322 56.8204 29.5108 175.9536 40 Q 2.0000 7.3515 116.3683 55.8649 26.2900 171.6850 41 P 4.4735 0.0000 0.0000 62.3229 33.1460 177.1569 42 W 4.8770 6.5245 117.4395 56.3329 29.5418 175.4376 43 E 4.7020 8.7857 120.5494 54.6895 33.6912 174.4808 44 F 5.2444 8.6069 119.7851 55.8379 42.9249 174.1301 45 I 4.3523 8.5969 124.1778 59.5641 39.2313 174.5917 46 V 4.7286 8.4177 127.1772 61.1518 33.1715 174.5486 47 L 4.9154 9.0739 128.2127 53.1603 44.1560 176.9357 48 E 4.7199 8.8864 120.4880 55.5270 31.5701 175.9629 49 D 4.5009 7.9575 119.7689 53.8947 42.0557 176.6085 50 R 3.9388 8.6302 126.9428 59.1869 30.2096 178.5304 51 E 3.9327 8.1990 118.8171 59.4189 29.7270 178.5339 52 N 4.4015 8.8565 116.8811 56.1997 38.3516 177.5410 53 I 3.7757 7.8903 120.8218 64.4390 37.3892 177.6396 54 D 4.4916 8.4102 119.1213 57.1560 41.0730 178.0586 55 K 3.9053 8.1363 120.2236 59.5686 32.1821 178.5300 56 L 4.1262 8.1353 120.6397 57.8626 41.7515 178.8353 57 S 4.3339 7.7253 113.4580 61.1410 61.6123 175.4938 58 N 4.6052 8.2427 119.2247 54.2510 38.5360 176.7692 59 F 4.5614 8.5855 116.7439 59.1695 38.3934 175.0391 60 S 4.4242 6.7385 116.0118 56.9361 65.1313 174.5011 61 K 4.0074 8.3476 124.6552 56.1168 31.6925 178.2272 62 Y 4.6618 7.7233 114.6609 58.7123 38.5377 175.8559 63 A 4.8411 7.6389 120.2716 51.9426 19.8144 178.9492 64 N 4.5315 8.1890 118.7727 57.1043 38.3586 177.0030 65 S 4.6503 8.1938 117.1020 60.8761 62.5133 176.2809 66 L 4.2181 8.2241 122.0630 57.0850 41.0993 179.2370 67 K 4.3236 8.1582 118.1675 58.3969 32.0416 177.5163 68 T 4.5206 7.5961 106.6671 60.9814 69.9706 174.3092 69 A 3.9878 7.6839 126.7271 51.7062 18.6775 175.7140 70 P 4.6143 0.0000 0.0000 63.8341 32.5019 176.0108 71 L 4.9708 7.6865 121.6462 53.5960 45.9515 174.4458 72 A 5.2369 9.0803 126.5999 50.1765 23.0023 174.8216 73 I 4.8637 8.7553 121.8707 59.4908 40.4833 174.8509 74 V 4.3665 8.9106 128.6740 61.9356 32.8671 174.5318 75 L 4.8272 8.9010 128.6531 53.4593 43.4951 175.7441 76 L 5.3970 8.6756 122.1648 52.9291 46.6569 175.1817 77 A 4.9833 8.8223 122.1954 50.1577 22.6620 174.7081 78 D 4.9048 8.5073 121.3341 52.6235 42.1803 176.5965 79 E 3.7886 8.9587 127.4901 59.8055 30.1265 179.5587 80 E 4.0316 8.6955 117.0215 57.9528 29.6870 177.8274 81 K 4.1310 7.4204 119.6106 54.6770 30.6585 175.8830 *83 K 4.3576 8.0589 121.6136 55.6317 34.2121 176.4300 84 I 4.5682 8.5507 119.7596 58.9372 37.3841 175.8572 85 S 4.3232 8.2805 118.1832 60.6843 63.4874 177.2966 86 E 4.1352 7.4970 119.0938 56.6048 28.1221 177.7661 *88 W 4.9781 8.0833 118.7680 56.5827 29.9865 177.2628 89 E 3.0798 7.1537 117.0618 58.7441 29.4183 178.2866 90 Q 4.1243 7.9999 117.8495 59.1527 29.1846 178.1300 91 D 4.4870 7.6373 113.9877 55.6878 41.1159 178.0867 *93 A 4.3620 8.0776 124.1889 52.2715 20.7677 179.6837 94 A 4.0207 8.3008 117.4116 55.1689 18.3529 179.6620 95 A 3.6611 8.0199 119.0901 55.1361 18.3386 179.6596 96 A 3.6613 7.6472 118.7018 55.2232 18.2893 179.3149 97 E 3.9858 8.2960 117.8711 59.4521 29.6247 178.7029 98 N 4.2620 8.2132 116.5482 56.3039 38.5617 177.2720 99 I 3.5831 7.7283 121.0964 64.4422 37.2459 178.4410 100 L 4.0420 8.0852 119.7498 57.8385 41.4210 179.6771 101 L 4.0263 8.1758 119.0465 57.7791 41.5954 179.1532 102 E 3.9528 8.5239 119.3595 59.0375 29.4406 178.5853 103 A 3.9432 8.4774 121.0807 55.2532 18.4988 179.4071 104 A 4.0745 7.9679 119.0954 55.5822 18.2265 179.0557 105 Y 4.1592 8.0763 117.0179 60.6199 38.8265 177.4979 106 L 4.2408 7.6409 117.1104 54.0101 41.8183 176.3991 107 D 4.4971 7.7135 116.9985 55.3267 38.7187 173.6303 108 L 4.4116 7.9301 118.4592 53.2756 43.9607 176.1783 109 G 4.4379 8.9989 108.0271 45.0790 0.0000 172.4878 110 A 5.9400 8.5920 121.9999 50.8373 23.2137 175.3474 111 V 4.8390 8.2716 117.4513 59.7430 35.2823 174.1156 112 W 4.6712 9.1334 133.8631 57.3804 31.6369 175.2352 113 L 4.8000 9.5586 128.8009 52.8231 42.6036 176.2767 114 G 3.8739 8.9444 111.4226 46.7259 0.0000 170.1701 115 A 4.8554 8.7195 122.4728 52.7937 21.8415 175.5485 116 Q 4.3201 8.4113 117.6266 55.6831 29.8963 175.1946 117 P 4.8527 0.0000 0.0000 62.7687 32.0169 175.7910 118 I 3.9238 8.0179 121.6921 61.5491 37.4568 175.9012 119 E 3.9807 8.8957 126.4940 59.4476 29.5059 178.2585 120 E 3.9763 8.2069 118.7045 59.3469 29.7378 178.9284 121 R 4.3946 7.9335 119.0001 58.7899 30.2638 178.9593 122 V 3.6913 8.0751 118.1297 65.8118 31.5119 177.9324 123 K 3.9554 8.4754 119.6988 59.7243 31.8601 178.4629 124 N 4.3991 8.2314 115.5051 56.4300 38.5335 177.1312 125 L 4.2632 7.9466 119.4671 57.5753 41.9652 179.1539 126 K 4.2201 8.3749 118.7094 59.5242 31.9268 179.5838 127 E 4.4319 8.2353 117.1543 56.7431 29.2694 178.2966 *129 F 4.6152 7.8606 115.5241 56.0857 41.1440 174.6899 130 N 4.1497 7.7655 118.2034 54.5076 37.4962 174.3352 131 L 4.2583 8.0436 117.9275 54.1519 43.0645 178.2216 132 K 4.0222 8.4967 121.4190 56.5353 32.6852 177.8280 133 S 4.0416 8.7595 116.5338 61.5151 62.3844 175.2150 134 N 4.7458 7.9598 115.0172 53.3358 37.6551 173.8794 135 I 4.5376 7.5669 120.9519 59.9862 38.1961 175.2098 136 K 4.4635 8.6989 128.3516 53.8005 33.7286 174.7398 137 P 4.5332 0.0000 0.0000 63.2167 31.7916 174.8948 138 F 5.0908 9.4438 125.7503 59.1843 41.4653 174.8235 139 C 4.9136 7.6675 110.4236 57.5983 33.0322 171.6460 140 V 4.8187 8.6773 118.5644 61.1019 34.3731 174.0600 141 I 5.1375 8.8719 128.4659 59.6083 39.5886 174.8148 142 S 4.9931 8.6607 122.4457 57.5279 64.6645 173.5226 143 V 4.5872 8.0831 121.5446 61.3251 35.4699 174.2375 144 G 3.6923 7.9468 112.3337 45.9012 0.0000 171.5326 145 Y 4.5546 8.0116 117.5746 56.8701 38.9696 174.1666 146 P 4.7335 0.0000 0.0000 63.2238 31.5975 175.9930 147 E 4.3687 8.7738 125.5243 57.8308 30.4978 177.6373 148 N 5.0191 7.6364 116.2793 50.6825 37.1165 173.5245 149 S 4.6456 7.6664 112.0387 59.1029 67.1851 173.8261 150 E 4.7062 8.2023 119.8941 54.5871 33.1693 175.4760 151 N 4.8482 8.7279 119.2774 53.1419 38.7326 174.5067 152 K 4.9151 8.3262 121.8224 54.6453 36.3873 175.6349 153 F 5.1928 8.8015 123.4992 57.2807 39.7407 174.8056 154 I 3.9462 8.2880 128.0373 59.3667 37.9658 175.2312 155 D 4.0323 7.9232 126.1700 53.6402 40.5305 175.7213 156 R 4.4457 8.3964 124.8311 55.6124 30.7303 176.6710 157 F 4.2817 8.2583 121.4532 58.5318 39.9385 174.3303 158 D 4.1471 7.6393 125.5171 52.2212 42.7945 175.5347 159 A 3.5884 7.8733 130.6462 54.4216 18.5977 179.1101 160 K 3.9834 7.9225 114.4718 58.6328 32.0735 178.1003 161 R 4.1045 7.7117 116.6451 56.6259 30.3176 176.1070 162 I 4.2715 7.3582 120.1449 59.8393 38.0656 174.6042 163 H 4.5912 8.6547 122.8906 53.8712 30.3105 174.1887 164 I 4.1153 8.2451 125.6535 60.8331 37.3709 175.6996 165 E 4.2187 9.2065 129.1371 56.6456 28.4918 174.6261 166 K 4.7293 7.4204 114.1823 54.7030 36.0101 175.3696 167 Y 3.9670 8.5677 119.0304 57.9319 38.7057 175.3794 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 2 D 8.22 4.63 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 I 7.89 3.72 1.91 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 1.52 0.53 1.01 0.00 0.00 4 I 8.63 3.78 1.87 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 1.43 0.47 0.94 0.00 0.00 5 N 8.16 4.58 0.00 2.65 2.35 0.00 0.00 7.07 6.92 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 6 N 8.11 4.77 0.00 2.90 2.90 0.00 0.00 6.58 7.79 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 7 R 7.94 4.20 0.00 1.97 1.93 0.00 3.31 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 8 R 8.47 4.75 0.00 1.87 1.81 0.00 3.56 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.98 0.00 9 S 8.66 4.54 0.00 3.90 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 10 I 8.54 4.44 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 0.84 0.00 0.00 11 R 8.33 4.54 0.00 1.77 1.86 0.00 3.12 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 12 N 6.85 4.75 0.00 2.63 2.41 0.00 0.00 6.88 7.56 0.00 0.00 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 Y 8.19 5.39 0.00 3.12 2.92 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 14 K 9.25 4.32 0.00 1.78 1.84 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.55 1.81 7.81 15 G 8.76 3.72 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 0.00 0.00 0.00 16 K 8.14 3.84 0.00 1.71 1.87 0.00 1.48 0.00 0.00 0.77 0.00 0.00 2.51 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.49 1.45 7.81 17 K 8.48 4.20 0.00 1.82 1.76 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.39 7.81 18 V 8.15 4.00 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 0.71 0.00 0.00 0.78 0.00 0.00 19 E 8.86 4.12 0.00 2.14 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 2.44 2.51 0.00 20 K 8.80 3.89 0.00 1.76 1.87 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.46 7.81 21 E 8.13 4.01 0.00 2.28 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 0.00 2.36 1.97 0.00 22 K 7.87 4.01 0.00 1.97 1.85 0.00 1.90 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.55 7.81 23 I 7.79 3.60 1.97 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 1.35 1.09 0.85 0.00 0.00 24 E 8.10 3.86 0.00 2.01 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 2.26 2.30 0.00 25 K 7.96 3.92 0.00 2.01 2.04 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.57 7.81 26 L 8.01 3.87 0.00 1.72 1.57 0.82 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.34 3.47 0.00 1.54 1.32 0.79 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.97 3.91 0.00 1.80 1.91 0.00 3.12 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 1.60 1.72 0.00 29 A 7.78 4.04 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 30 A 7.38 3.74 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 Q 7.97 4.18 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.25 0.00 33 A 7.36 4.16 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.67 0.00 2.25 2.12 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 35 S 8.23 4.77 0.00 4.03 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 36 A 9.47 4.11 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 37 G 9.09 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.21 4.16 0.00 2.79 2.82 0.00 0.00 7.10 6.70 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 39 Q 8.04 3.86 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.58 6.22 0.00 0.00 0.00 0.00 0.00 2.37 2.13 0.00 40 Q 7.35 2.00 0.00 1.75 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.14 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 41 P 0.00 4.47 0.00 1.92 2.04 0.00 2.58 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 42 W 6.52 4.88 0.00 2.53 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 43 E 8.79 4.70 0.00 1.65 1.69 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 2.09 2.30 0.00 44 F 8.61 5.24 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.60 4.35 1.46 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.34 0.75 0.00 0.00 46 V 8.42 4.73 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.91 0.00 0.00 47 L 9.07 4.92 0.00 1.66 1.57 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.89 4.72 0.00 1.91 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 2.18 2.24 0.00 49 D 7.96 4.50 0.00 2.81 2.59 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 50 R 8.63 3.94 0.00 1.88 1.99 0.00 3.45 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 51 E 8.20 3.93 0.00 2.14 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 0.00 2.38 1.97 0.00 52 N 8.86 4.40 0.00 2.93 2.89 0.00 0.00 7.05 7.84 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 53 I 7.89 3.78 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 1.08 0.00 0.00 54 D 8.41 4.49 0.00 2.93 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 55 K 8.14 3.91 0.00 1.95 1.98 0.00 1.65 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 56 L 8.14 4.13 0.00 2.02 1.98 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.73 4.33 0.00 4.17 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 58 N 8.24 4.61 0.00 2.94 2.91 0.00 0.00 6.58 7.50 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 59 F 8.59 4.56 0.00 3.30 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 6.74 4.42 0.00 2.95 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 61 K 8.35 4.01 0.00 1.82 1.70 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.03 7.81 62 Y 7.72 4.66 0.00 2.90 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 63 A 7.64 4.84 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 64 N 8.19 4.53 0.00 2.74 2.89 0.00 0.00 6.76 7.57 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 65 S 8.19 4.65 0.00 4.33 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.22 4.22 0.00 1.97 2.02 1.18 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.16 4.32 0.00 1.88 1.92 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.29 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.58 7.81 68 T 7.60 4.52 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 1.30 0.00 0.00 69 A 7.68 3.99 1.22 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 0.00 0.00 70 P 0.00 4.61 0.00 2.09 2.20 0.00 3.59 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 71 L 7.69 4.97 0.00 1.70 1.52 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 72 A 9.08 5.24 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 73 I 8.76 4.86 1.86 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 1.06 0.63 0.96 0.00 0.00 74 V 8.91 4.37 1.76 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 0.86 0.00 0.00 0.79 0.00 0.00 75 L 8.90 4.83 0.00 1.94 1.70 1.05 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.68 5.40 0.00 1.39 1.48 0.75 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.82 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.51 4.90 0.00 2.58 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 0.00 0.00 0.00 0.00 79 E 8.96 3.79 0.00 1.80 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 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0.00 0.00 7.14 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.95 4.26 0.00 1.69 1.82 0.60 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.37 4.22 0.00 2.00 1.91 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.68 7.81 127 E 8.24 4.43 0.00 2.24 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 2.34 2.45 0.00 *129 F 7.86 4.62 0.00 3.19 3.10 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 0.00 130 N 7.77 4.15 0.00 2.73 2.80 0.00 0.00 7.13 9.12 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 0.00 131 L 8.04 4.26 0.00 1.70 1.58 0.99 0.91 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 0.00 132 K 8.50 4.02 0.00 1.78 1.90 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.43 7.81 133 S 8.76 4.04 0.00 3.81 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 0.00 134 N 7.96 4.75 0.00 2.81 2.97 0.00 0.00 6.65 7.62 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 0.00 135 I 7.57 4.54 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.82 0.82 0.00 0.00 136 K 8.70 4.46 0.00 1.08 1.51 0.00 1.47 0.00 0.00 0.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.21 7.81 137 P 0.00 4.53 0.00 2.01 2.01 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.13 0.00 138 F 9.44 5.09 0.00 3.47 3.31 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 0.00 139 C 7.67 4.91 0.00 3.26 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.68 4.82 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 1.01 0.00 0.00 0.46 0.00 0.00 141 I 8.87 5.14 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.93 0.00 0.00 142 S 8.66 4.99 0.00 3.90 4.09 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 0.00 143 V 8.08 4.59 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 0.83 0.00 0.00 0.85 0.00 0.00 144 G 7.95 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.01 4.55 0.00 3.02 2.97 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 0.00 146 P 0.00 4.73 0.00 2.04 2.09 0.00 3.84 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 2.10 2.23 0.00 147 E 8.77 4.37 0.00 1.88 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 2.30 0.00 148 N 7.64 5.02 0.00 2.81 2.80 0.00 0.00 5.82 7.64 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 0.00 149 S 7.67 4.65 0.00 3.81 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 0.00 150 E 8.20 4.71 0.00 1.91 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 2.23 2.33 0.00 151 N 8.73 4.85 0.00 2.65 2.96 0.00 0.00 6.72 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.33 4.92 0.00 1.76 1.77 0.00 1.20 0.00 0.00 0.76 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.31 7.81 153 F 8.80 5.19 0.00 3.03 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 0.00 154 I 8.29 3.95 1.84 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 1.25 0.73 0.83 0.00 0.00 155 D 7.92 4.03 0.00 1.67 2.30 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 0.00 156 R 8.40 4.45 0.00 1.89 1.95 0.00 3.43 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 157 F 8.26 4.28 0.00 3.01 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 0.00 158 D 7.64 4.15 0.00 2.50 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 7.87 3.59 1.22 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 0.00 0.00 160 K 7.92 3.98 0.00 1.77 1.78 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.41 7.81 161 R 7.71 4.10 0.00 1.77 1.93 0.00 3.29 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 162 I 7.36 4.27 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.46 0.92 0.00 0.00 163 H 8.65 4.59 0.00 3.00 3.27 0.00 5.69 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 0.00 164 I 8.25 4.12 1.86 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 1.38 0.77 0.91 0.00 0.00 165 E 9.21 4.22 0.00 2.14 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 0.00 2.21 2.23 0.00 166 K 7.42 4.73 0.00 1.84 1.75 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.43 7.81 167 Y 8.57 3.97 0.00 2.92 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.