NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4944 8.1633 120.3302 54.7175 33.1462 177.1519 2 R 3.7689 8.2395 120.1613 58.8865 30.1444 176.5602 3 A 4.0630 8.7341 121.8973 55.1336 19.1856 179.2754 4 R 3.9110 7.9261 116.4237 59.5170 30.4061 179.1515 5 L 4.3618 7.9805 116.8940 56.6283 41.5745 178.4218 6 Y 4.3623 7.5479 117.2871 60.2511 39.0468 176.6000 7 A 3.7440 7.9915 121.3111 56.1370 18.3756 178.5223 8 A 3.7089 8.0798 116.8619 56.3950 18.2172 179.3781 9 F 3.8603 8.7686 111.6747 60.6526 39.3944 178.4408 10 R 3.6563 8.0438 117.4041 59.5293 30.1471 177.9944 11 Q 3.7895 8.4345 119.5978 59.4243 29.0881 178.4959 12 V 2.7571 7.7847 119.2712 65.6439 31.2995 178.4601 13 G 3.7511 8.2418 106.9312 47.2748 0.0000 175.4666 14 E 4.0697 8.2175 121.8425 59.3198 29.4787 179.4016 15 D 4.3534 8.0845 118.8253 57.0984 40.8255 178.6273 16 L 4.0572 7.8182 120.9405 58.2422 41.9106 178.9022 17 F 4.5517 8.2304 119.1933 61.2434 39.6150 176.5429 18 A 3.8730 8.1166 120.5072 55.3050 17.9870 179.3502 19 Q 4.1343 8.2270 111.7395 55.7453 28.6735 176.7181 20 G 3.9628 7.6585 107.6568 46.6485 0.0000 175.1937 21 L 4.4027 8.0063 120.9227 55.3310 42.5126 177.1199 22 I 4.9542 7.4271 110.1390 58.8210 40.4839 176.1227 23 S 4.5336 8.4865 117.8449 58.4514 63.8387 174.4831 24 A 3.6992 8.6736 122.5305 55.1454 18.3178 179.6637 25 T 4.4403 7.2814 99.5673 61.9422 70.7708 174.3695 26 A 3.9999 8.0502 123.6636 52.7384 18.8578 174.9705 27 G 4.1303 8.9033 111.8932 45.1780 0.0000 172.7697 28 N 5.1573 8.8124 116.8623 51.5672 41.3969 173.0756 29 F 5.7512 7.9457 112.8258 56.3382 42.1467 172.9340 30 S 5.5517 9.3991 113.8496 58.3730 66.8255 173.8150 31 V 4.9825 9.3015 112.6931 59.5104 35.8877 175.7168 32 R 4.0568 8.3265 123.6400 56.5718 30.9032 176.0084 33 T 4.4924 8.1975 111.9740 60.4526 70.8157 174.2274 34 K 4.0383 8.5252 120.3572 57.6509 30.2880 177.9644 35 G 4.1420 8.9807 112.3413 45.4668 0.0000 171.0265 36 G 4.2155 7.2311 111.8040 44.0242 0.0000 171.9722 37 F 4.8236 8.2273 114.4022 55.9791 41.5010 173.1881 38 L 4.5187 8.5987 124.9048 54.2552 43.6106 175.0826 39 I 5.5011 8.0826 123.8940 59.3302 42.8098 173.6676 40 T 4.1633 8.3180 114.9852 60.8579 69.8361 174.8363 41 K 4.1838 8.8522 125.5163 57.1232 33.3262 175.5826 42 S 4.3707 9.0864 116.3303 57.7599 63.9633 171.4526 43 G 3.9294 9.6347 118.2881 44.9419 0.0000 172.4200 44 V 4.2206 7.1543 121.2931 60.9135 34.4038 174.8735 45 Q 4.2260 8.2931 119.9225 55.5342 27.3408 177.2228 46 K 4.2288 8.4981 123.0053 58.0507 32.6646 179.9931 47 A 4.0348 7.9207 121.6923 54.6095 18.8249 178.3491 48 R 4.5497 7.1385 113.2712 54.5944 29.2996 174.9247 49 L 4.7164 7.9997 117.7175 53.1526 43.2750 177.0609 50 T 5.3232 8.4349 112.9141 58.5648 70.8172 173.8184 51 P 4.2278 0.0000 0.0000 65.0908 31.3711 176.5263 52 E 4.5709 7.7103 116.9584 56.8789 29.7410 176.2411 53 D 4.8820 8.0237 116.7718 53.4758 43.7433 175.2776 54 L 4.9299 7.8746 119.0602 52.6224 43.2280 175.8045 55 L 4.7648 8.1883 123.7756 53.4707 43.7496 175.9972 56 E 3.9957 8.6697 122.2995 56.7572 31.0339 176.1791 57 V 4.1196 7.5392 121.1109 61.4500 35.2767 171.2956 58 P 4.9909 0.0000 0.0000 61.5066 33.3141 175.5184 59 L 4.4838 8.0663 118.0960 55.2823 41.7236 178.2659 60 E 4.0118 7.7806 119.0197 57.3775 29.4652 176.7676 61 G 4.1672 7.9666 112.9847 46.5418 0.0000 172.0532 62 P 4.1475 0.0000 0.0000 62.2338 30.4687 176.7213 63 I 4.0537 8.0431 125.7137 58.8745 36.5648 174.1757 64 P 4.1904 0.0000 0.0000 62.6314 31.3038 176.0380 65 E 4.0509 8.5882 120.6549 57.6281 30.0814 176.7196 66 G 3.9487 9.0013 108.2128 45.6092 0.0000 173.5107 67 A 4.2253 7.3100 122.9317 51.4746 18.8051 176.9753 68 S 4.0700 8.5494 116.7739 59.2044 62.6866 176.4909 69 V 3.3444 7.9253 127.7295 65.5594 32.6612 176.7039 70 E 4.4658 8.2820 117.2982 56.8902 29.2281 178.5183 71 S 4.3833 8.4930 118.3991 61.2320 62.6334 176.7065 72 V 3.6756 7.8182 121.1992 65.8157 31.0983 177.8910 73 V 3.5429 7.9234 117.6829 65.8115 31.7041 177.6487 74 H 3.9152 8.1251 115.5011 58.7121 28.7395 177.2315 75 R 3.5584 7.6940 120.4187 59.6622 29.7807 177.9732 76 E 3.9030 7.8337 118.8395 59.4315 29.3890 178.5151 77 V 3.3328 7.4467 118.2762 66.1949 31.2883 177.5122 78 Y 4.1837 7.0859 116.2770 60.9348 37.7978 178.6826 79 R 4.1091 7.7933 119.0942 58.9129 30.3689 179.1096 80 R 4.7064 7.8552 115.8481 54.8967 31.6230 175.8323 81 T 4.6421 7.2167 114.4012 62.4077 72.9118 175.1039 82 G 3.6520 8.7756 110.8023 47.4512 0.0000 174.0500 83 A 4.0262 7.2519 121.1446 50.6956 19.1545 177.0322 84 R 4.8678 8.7674 119.1132 55.8532 32.5620 175.3024 85 A 5.2584 7.8158 120.3338 50.7638 22.9406 175.0290 86 L 5.1393 9.7950 123.9366 53.2393 45.8013 175.1721 87 V 4.7827 9.0154 125.9977 61.3815 34.5806 173.5326 88 H 4.8169 9.7041 128.1683 54.6104 31.7330 171.9423 89 A 5.1774 8.0139 128.7670 49.5381 22.5236 174.4837 90 H 5.2291 8.3467 110.6496 53.5060 28.1870 174.3404 91 P 4.2476 0.0000 0.0000 63.8642 32.2767 176.3904 92 R 3.7618 8.9099 121.2268 60.1352 30.0382 178.3347 93 V 3.5337 7.9498 116.5797 66.4266 31.4923 178.0703 94 A 3.9424 7.9999 119.0880 55.3816 18.6148 179.1717 95 V 3.6809 8.2738 116.2906 66.2830 31.2447 177.7087 96 A 4.2422 8.0892 120.1302 55.7869 17.8191 179.6675 97 L 4.0346 8.0437 116.4222 57.7311 41.5635 180.0616 98 S 4.1338 7.9893 114.9895 61.8422 62.6103 176.5213 99 F 3.9911 7.6207 118.4724 60.7463 38.6366 175.2527 100 H 4.7207 8.0770 112.7313 56.8494 30.5874 175.0548 101 L 4.1584 7.7051 120.4398 55.6927 42.3732 177.5266 102 S 4.7016 8.4823 113.6120 59.2775 64.9373 173.6915 103 R 4.9797 7.7516 117.2072 54.7627 34.5642 174.4765 104 L 4.4655 8.8688 123.7470 53.7076 43.9669 175.7840 105 R 4.5571 8.4057 126.7986 53.8456 30.3378 175.0085 106 P 4.3832 0.0000 0.0000 62.6139 32.0898 176.7280 107 L 4.3978 8.2681 120.7429 56.2485 43.1596 178.0435 108 D 4.4475 7.8449 118.8483 52.9559 40.9075 176.5011 109 L 3.8430 8.6326 124.7298 58.5457 41.8412 178.6480 110 E 4.0137 8.3356 118.4417 59.6559 29.5133 178.8501 111 G 3.8644 8.3960 106.6875 47.4258 0.0000 175.4505 112 Q 4.0468 7.7678 119.0830 58.7404 28.7990 177.7152 113 H 4.2528 8.1922 119.0214 58.2727 29.8403 175.2414 114 Y 4.6208 7.4564 116.6711 58.6644 39.8255 176.7426 115 L 4.7579 7.5907 118.8341 59.1761 41.9286 179.7841 116 K 4.7559 6.8225 117.6309 55.5903 33.1520 175.5883 117 E 4.6040 7.7584 118.2052 54.3569 32.9779 174.4774 118 V 4.5574 8.4416 126.5388 59.3681 33.3210 172.7544 119 P 4.6229 0.0000 0.0000 62.7415 32.6655 175.1780 120 V 4.6952 8.3949 122.7230 61.4106 32.9841 174.8878 121 L 4.9296 9.6524 127.9227 52.8932 44.9532 175.0772 122 A 5.0153 8.2565 122.4652 49.3053 21.6925 174.9250 123 P 4.1727 0.0000 0.0000 62.4465 32.1041 176.0818 *128 A 4.1765 8.1327 120.0312 52.3788 18.3882 175.7441 129 T 4.7666 7.7028 109.9996 59.9164 72.0165 175.5377 130 E 4.0350 8.9809 123.9307 59.1678 29.4323 179.5550 131 E 4.1924 8.2915 119.2301 60.7693 30.1178 183.6996 132 A 4.2083 7.5949 120.7728 54.8250 18.3527 179.3046 133 A 3.7599 7.9812 118.6445 55.6401 18.5538 179.4830 134 L 3.9428 7.9588 116.4546 58.9265 41.7757 178.9060 135 S 4.1737 8.0776 114.0559 59.6875 62.2191 176.8633 136 V 3.3035 7.5204 124.8410 66.3259 32.2224 177.6244 137 A 3.5660 8.6662 118.7773 54.5807 17.8011 179.2437 138 E 3.7491 7.1454 115.7089 58.4091 30.3721 179.2660 139 A 4.0434 7.7571 120.0610 55.3448 18.2091 179.3965 140 L 4.4420 7.5504 113.7595 55.1319 41.3138 178.8752 141 R 4.1032 7.9451 122.3470 58.2019 30.4077 177.0496 142 E 4.3513 7.8354 114.0169 56.4803 30.5232 175.1169 143 H 5.0845 7.7435 115.4533 54.1105 32.1862 174.0786 144 R 4.7271 8.3511 117.3853 56.5320 32.2419 175.8796 145 A 5.2729 7.6745 120.1908 50.8836 22.8811 174.8667 146 C 5.0257 9.2486 115.4735 56.7597 34.1559 172.6406 147 L 4.9420 8.9571 118.6880 53.0322 44.5197 176.0946 148 L 4.5244 8.6325 126.7361 53.0734 42.0761 173.2095 149 R 2.9355 8.5145 124.8380 59.6153 29.4609 174.2054 150 G 4.0302 8.6521 118.7881 44.6773 0.0000 173.2429 151 H 4.6569 8.1848 120.2926 53.2668 27.9533 175.9978 152 G 3.5314 8.1782 118.4497 45.3323 0.0000 169.2354 153 A 5.1985 7.9489 119.0294 49.9321 22.8568 175.2615 154 F 4.9963 9.4065 117.5315 55.6016 42.1833 174.5790 155 A 5.2261 9.1437 125.0124 50.0643 22.1426 175.0122 156 V 4.7532 8.5759 120.1391 61.0964 34.4986 175.2872 157 G 4.2941 9.4430 114.4857 45.0536 0.0000 174.1394 158 L 4.9137 9.5143 117.9638 53.5245 44.3990 177.6880 159 K 3.9499 8.4171 117.6003 56.5115 32.6366 176.2209 160 E 4.0100 8.9930 123.1590 59.2766 30.0561 177.6002 161 A 4.2706 7.7775 121.2925 51.0550 19.2678 175.9059 162 P 4.3056 0.0000 0.0000 65.4740 31.9914 178.2996 163 E 3.9676 8.3750 118.4912 59.7756 29.4198 178.1368 164 E 3.9300 8.8111 118.7748 57.2480 29.3215 179.5427 165 A 4.0887 8.1077 120.6820 54.8971 19.2710 179.5577 166 L 3.8111 8.0151 119.1822 58.4360 42.1666 179.3270 167 L 4.0524 8.4220 119.2747 57.4397 41.4871 179.0292 168 E 3.7983 8.1569 118.7322 59.3823 29.5285 178.6933 169 A 4.0703 8.0846 120.6943 55.2604 18.3976 178.9911 170 Y 4.0793 8.2198 118.4934 60.5788 38.8120 178.3498 171 G 3.1918 8.1431 107.1656 47.6556 0.0000 175.6510 172 L 3.9771 7.6629 121.4755 57.5382 41.6601 179.4189 173 M 3.9408 7.5267 118.3756 58.8117 31.9094 178.2632 174 T 3.7173 7.4235 115.8717 67.1271 68.6756 176.6951 175 T 3.9128 8.3041 117.5696 65.8783 68.1678 176.7249 176 L 3.8913 7.7802 122.3230 58.5523 42.4618 178.2490 177 E 3.9358 8.0181 117.8699 59.5784 29.3132 178.8462 178 E 4.0097 8.0448 118.7274 59.8213 29.5002 179.3927 179 S 4.2690 8.0421 113.7332 60.4013 63.0862 176.5284 180 A 3.9636 8.3964 124.1630 55.3012 18.1366 179.6089 181 Q 3.6007 7.9484 116.0786 59.1029 28.7868 179.1078 182 I 3.8168 7.5292 120.9073 64.4264 36.9097 178.5399 183 L 4.1263 7.6314 118.9591 58.1551 41.6195 178.2430 184 L 3.8613 8.4949 121.2509 56.6008 41.5238 178.0852 185 Y 4.4802 7.5454 115.8362 61.9292 38.1105 178.4958 186 H 4.1312 8.8527 119.1122 59.9669 29.7948 176.4843 187 R 4.0675 8.7307 121.0126 59.1068 29.7388 178.3018 188 L 3.8483 7.8743 115.8724 57.9443 41.8708 179.3246 189 W 4.0787 8.6639 126.7771 61.4774 30.7127 176.6349 190 Q 4.1889 7.4300 123.7974 59.0644 30.7106 179.0670 191 G 3.5963 9.2183 106.6551 46.8586 0.0000 175.5704 192 A 4.3850 5.8000 124.7351 51.6167 18.6488 178.9303 193 G 3.9079 7.2396 120.8428 44.2582 0.0000 171.8787 194 P 4.2936 0.0000 0.0000 63.0825 31.0145 176.2927 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 4.49 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 2 R 8.24 3.77 0.00 1.88 2.00 0.00 3.29 0.00 0.00 3.31 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 3 A 8.73 4.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.93 3.91 0.00 2.05 2.04 0.00 3.16 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 5 L 7.98 4.36 0.00 1.81 1.92 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 7.55 4.36 0.00 3.28 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.99 3.74 1.40 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 0.00 0.00 8 A 8.08 3.71 1.42 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 9 F 8.77 3.86 0.00 3.28 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 10 R 8.04 3.66 0.00 1.14 1.79 0.00 3.10 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.62 0.00 11 Q 8.43 3.79 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.51 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 12 V 7.78 2.76 1.59 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 -0.03 0.00 0.00 0.54 0.00 0.00 13 G 8.24 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.22 4.07 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 15 D 8.08 4.35 0.00 2.26 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 16 L 7.82 4.06 0.00 2.02 1.75 1.17 0.58 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 17 F 8.23 4.55 0.00 3.05 3.27 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 18 A 8.12 3.87 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 19 Q 8.23 4.13 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 20 G 7.66 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 21 L 8.01 4.40 0.00 1.91 1.75 0.93 0.44 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 22 I 7.43 4.95 2.16 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 1.02 0.00 0.00 23 S 8.49 4.53 0.00 4.02 3.93 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 24 A 8.67 3.70 1.14 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 0.00 0.00 25 T 7.28 4.44 4.22 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 1.23 0.00 0.00 26 A 8.05 4.00 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 27 G 8.90 4.13 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 0.00 0.00 0.00 28 N 8.81 5.16 0.00 2.82 2.87 0.00 0.00 6.69 8.39 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 29 F 7.95 5.75 0.00 3.22 3.17 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 30 S 9.40 5.55 0.00 4.52 4.31 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 31 V 9.30 4.98 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 0.74 0.00 0.00 1.10 0.00 0.00 32 R 8.33 4.06 0.00 1.40 1.70 0.00 3.24 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.26 0.00 33 T 8.20 4.49 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 1.25 0.00 0.00 34 K 8.53 4.04 0.00 1.84 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.44 7.81 35 G 8.98 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 0.00 0.00 0.00 36 G 7.23 4.22 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 0.00 37 F 8.23 4.82 0.00 2.87 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 38 L 8.60 4.52 0.00 1.78 1.69 0.80 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.08 5.50 2.21 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.60 1.00 0.00 0.00 40 T 8.32 4.16 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 0.55 0.00 0.00 41 K 8.85 4.18 0.00 1.69 1.79 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.44 7.81 42 S 9.09 4.37 0.00 3.99 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 43 G 9.63 3.93 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 0.00 0.00 0.00 44 V 7.15 4.22 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 0.62 0.00 0.00 0.96 0.00 0.00 45 Q 8.29 4.23 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 46 K 8.50 4.23 0.00 1.87 2.01 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.51 7.81 47 A 7.92 4.03 1.07 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 0.00 0.00 48 R 7.14 4.55 0.00 1.86 1.89 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 57 V 7.54 4.12 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 0.00 0.00 0.65 0.00 0.00 0.74 0.00 0.00 58 P 0.00 4.99 0.00 2.11 2.00 0.00 3.72 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 59 L 8.07 4.48 0.00 1.67 1.84 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.78 4.01 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 61 G 7.97 4.17 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 0.00 62 P 0.00 4.15 0.00 2.04 2.06 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 63 I 8.04 4.05 1.89 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 1.52 0.73 0.93 0.00 0.00 64 P 0.00 4.19 0.00 2.15 2.17 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.98 0.00 0.00 74 H 8.13 3.92 0.00 3.13 3.07 0.00 5.71 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 75 R 7.69 3.56 0.00 2.33 2.05 0.00 3.32 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.12 0.00 76 E 7.83 3.90 0.00 2.15 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 2.24 2.28 0.00 77 V 7.45 3.33 1.61 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 0.51 0.00 0.00 0.54 0.00 0.00 78 Y 7.09 4.18 0.00 2.88 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 79 R 7.79 4.11 0.00 2.04 2.05 0.00 3.47 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 80 R 7.86 4.71 0.00 1.73 1.86 0.00 3.17 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 81 T 7.22 4.64 4.38 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 0.00 115 L 7.59 4.76 0.00 1.78 1.65 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 116 K 6.82 4.76 0.00 1.79 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.50 7.81 117 E 7.76 4.60 0.00 1.89 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 2.09 2.23 0.00 118 V 8.44 4.56 2.06 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 1.05 0.00 0.00 0.96 0.00 0.00 119 P 0.00 4.62 0.00 2.11 2.05 0.00 3.83 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.85 0.00 120 V 8.39 4.70 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 0.81 0.00 0.00 0.97 0.00 0.00 121 L 9.65 4.93 0.00 1.45 1.50 0.88 0.48 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 0.00 122 A 8.26 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.17 0.00 2.18 2.11 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 *128 A 8.13 4.18 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 0.00 129 T 7.70 4.77 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 1.23 0.00 0.00 130 E 8.98 4.03 0.00 1.98 2.06 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 2.33 2.27 0.00 131 E 8.29 4.19 0.00 1.99 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 2.22 2.19 0.00 132 A 7.59 4.21 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 0.00 133 A 7.98 3.76 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 0.00 134 L 7.96 3.94 0.00 1.83 1.71 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.08 4.17 0.00 4.06 3.70 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 0.00 136 V 7.52 3.30 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.77 0.00 0.00 137 A 8.67 3.57 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 0.00 138 E 7.15 3.75 0.00 2.01 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 2.30 2.49 0.00 139 A 7.76 4.04 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 0.00 140 L 7.55 4.44 0.00 1.61 1.61 0.68 1.08 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 0.00 141 R 7.95 4.10 0.00 1.70 1.99 0.00 3.06 0.00 0.00 3.04 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 142 E 7.84 4.35 0.00 1.68 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 2.16 2.17 0.00 143 H 7.74 5.08 0.00 3.22 3.13 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.35 4.73 0.00 1.77 1.94 0.00 3.17 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 145 A 7.67 5.27 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 0.00 146 C 9.25 5.03 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 0.00 147 L 8.96 4.94 0.00 1.53 1.53 0.90 0.58 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 0.00 148 L 8.63 4.52 0.00 1.98 1.67 0.96 0.71 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 0.00 149 R 8.51 2.94 0.00 1.70 1.81 0.00 3.18 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.88 0.00 150 G 8.65 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 0.00 151 H 8.18 4.66 0.00 3.42 3.38 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.18 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 0.00 0.00 0.00 153 A 7.95 5.20 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 0.00 154 F 9.41 5.00 0.00 2.90 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 0.00 155 A 9.14 5.23 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 0.00 156 V 8.58 4.75 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 0.83 0.00 0.00 0.89 0.00 0.00 157 G 9.44 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 0.00 0.00 0.00 0.00 158 L 9.51 4.91 0.00 1.53 1.66 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.42 3.95 0.00 1.79 1.78 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.52 7.81 160 E 8.99 4.01 0.00 1.94 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 2.31 2.28 0.00 161 A 7.78 4.27 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 0.00 162 P 0.00 4.31 0.00 2.32 2.34 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 163 E 8.38 3.97 0.00 2.16 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 2.30 2.41 0.00 164 E 8.81 3.93 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 2.40 2.33 0.00 165 A 8.11 4.09 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 0.00 166 L 8.02 3.81 0.00 1.61 1.72 0.64 -0.28 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 0.00 167 L 8.42 4.05 0.00 1.78 1.74 0.90 0.68 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 0.00 168 E 8.16 3.80 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 169 A 8.08 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 Y 8.22 4.08 0.00 2.78 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 0.00 171 G 8.14 3.19 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 0.00 172 L 7.66 3.98 0.00 1.79 1.67 0.92 0.59 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 0.00 173 M 7.53 3.94 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 174 T 7.42 3.72 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 1.06 0.00 0.00 175 T 8.30 3.91 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 1.34 0.00 0.00 176 L 7.78 3.89 0.00 1.67 1.81 0.90 0.94 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 0.00 177 E 8.02 3.94 0.00 2.02 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 2.31 2.46 0.00 178 E 8.04 4.01 0.00 2.00 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 0.00 2.32 2.41 0.00 179 S 8.04 4.27 0.00 4.17 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 0.00 180 A 8.40 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 7.95 3.60 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.57 0.00 182 I 7.53 3.82 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 1.58 0.83 0.94 0.00 0.00 183 L 7.63 4.13 0.00 1.82 1.69 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 184 L 8.49 3.86 0.00 1.55 1.10 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 185 Y 7.55 4.48 0.00 3.09 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 0.00 186 H 8.85 4.13 0.00 3.22 3.40 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 R 8.73 4.07 0.00 2.09 2.19 0.00 3.27 0.00 0.00 3.18 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 188 L 7.87 3.85 0.00 1.92 1.75 1.08 0.80 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 0.00 189 W 8.66 4.08 0.00 3.40 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 0.00 190 Q 7.43 4.19 0.00 2.22 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 191 G 9.22 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 5.80 4.38 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 0.00 193 G 7.24 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 0.00 194 P 0.00 4.29 0.00 2.13 1.97 0.00 3.65 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 * Residues marked with a * may have inaccurate shift predictions.