NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 E 4.3454 8.4449 120.2296 56.4289 31.6471 176.6661 15 E 4.1379 8.0037 116.0099 56.6525 30.0512 174.0079 16 S 5.3697 7.7239 114.1094 56.5798 67.2977 172.3124 17 F 5.0512 8.1540 114.7726 55.5770 42.0924 172.8479 18 L 4.9149 8.5825 118.4042 53.0513 44.3932 174.8849 19 Y 5.5086 8.8963 124.6990 55.9066 41.5727 173.7838 20 F 5.0528 9.3053 129.9347 56.6660 40.7319 174.4086 21 A 4.3224 8.1248 129.2902 50.0717 21.2185 176.2503 22 Y 4.6104 7.5980 117.4234 56.0644 40.7391 175.6609 23 G 4.0788 6.7809 109.2029 45.5591 0.0000 177.5129 24 S 3.9406 8.3931 119.0299 60.6702 62.9974 175.3262 25 N 4.7450 7.9701 116.1148 53.7190 38.1980 175.8234 26 L 4.2302 7.8733 120.4953 56.9980 42.1256 177.7242 27 L 4.5808 7.7710 120.6476 53.9686 43.5638 177.2352 28 T 3.9324 9.1815 123.9743 66.9310 68.2809 176.6922 29 E 4.0349 8.0910 119.0912 59.0904 29.8383 179.0557 30 R 4.0295 7.8586 118.4009 59.5791 30.3901 178.2101 31 I 3.6368 7.6564 118.3156 64.3564 37.5965 177.3190 32 H 4.4122 7.9163 115.7255 57.7371 28.4836 177.2802 33 L 4.1088 7.4665 120.8896 57.8365 41.6493 178.9446 34 R 4.4041 7.8141 114.5035 56.1325 32.4928 176.3729 35 N 5.0288 7.9875 115.7667 50.8113 38.6406 173.4390 36 P 4.2670 0.0000 0.0000 64.8266 32.0668 178.1280 37 S 4.4800 7.8270 111.7560 57.8172 63.4925 173.9953 38 A 4.2409 7.8396 125.0149 52.3878 18.7333 176.8317 39 A 5.0877 8.8486 124.1275 49.6444 21.7627 175.5538 40 F 3.6320 9.5069 124.8149 59.5003 39.3332 173.2131 41 F 4.6168 7.4462 126.4659 58.7823 41.1150 174.5388 42 C 4.1288 6.6250 110.2689 57.2251 32.6096 172.0117 43 V 4.6789 8.1570 119.2412 62.2188 32.8542 174.4305 44 A 4.9566 9.2580 127.6434 50.6732 23.5284 174.4844 45 R 3.7984 8.2219 119.6822 53.9453 32.7234 174.2683 46 L 4.3195 8.5239 129.1577 53.3631 43.3400 175.2444 47 Q 4.2770 8.4652 128.0511 56.2959 30.2701 174.8459 48 D 4.6668 9.1466 123.5230 55.6408 38.8981 173.2670 49 F 5.0618 8.1418 115.2881 55.4228 42.8526 174.4417 50 K 4.4642 8.5368 122.9752 54.1763 34.7361 174.9996 51 L 4.4265 8.4255 129.3277 55.2496 43.0830 174.9727 52 D 5.0358 8.7492 124.2193 52.9901 45.9906 173.3868 53 F 5.2848 8.6283 117.4887 55.9693 43.5638 174.4460 54 G 4.4486 8.9755 108.0541 46.2061 0.0000 171.7795 55 N 5.2864 9.2472 117.9952 51.1122 40.2545 174.9121 56 S 4.4583 8.6833 119.8073 59.2455 63.6884 174.1455 57 Q 3.4950 9.8812 126.0279 56.9443 26.7706 175.2814 58 G 3.9685 8.3761 103.4107 45.5968 0.0000 174.3712 59 K 4.3587 7.8929 119.7652 55.2858 33.0946 176.6340 60 T 4.2404 8.3678 120.8901 62.7502 69.2316 174.4612 61 S 4.0225 8.7901 120.7463 59.3574 62.5347 174.5129 62 Q 4.1487 8.4882 125.1994 56.8780 29.3218 177.0767 63 T 3.7751 7.6795 114.7920 65.6979 68.7453 175.7918 64 W 4.5922 8.0066 118.3367 56.2463 29.9767 175.8864 65 H 3.8361 7.5983 114.6526 56.1666 26.0980 173.8385 66 G 3.9917 7.5398 103.5242 45.5520 0.0000 174.0693 67 G 4.5568 9.0059 107.8060 46.0639 0.0000 173.2657 68 I 4.2732 8.4327 116.3005 58.3573 40.8983 174.6294 69 A 4.3498 9.0018 124.9301 52.5224 19.1759 176.6325 70 T 5.3879 8.6306 114.4959 61.0073 71.7549 172.0710 71 I 5.1601 8.2191 115.6786 59.1403 40.8396 174.3489 72 F 5.2341 8.3607 117.5479 55.1852 41.8701 173.5979 73 Q 3.6880 8.6142 119.0085 56.0736 29.5252 176.4322 74 S 4.4118 8.7138 115.2735 57.0182 65.2324 172.4345 75 P 4.5580 0.0000 0.0000 64.2777 31.5911 176.6540 76 G 4.0297 9.9381 111.7404 45.2545 0.0000 173.4566 77 D 4.9791 7.7755 119.3364 53.6931 42.6814 175.3388 78 E 5.1412 8.5378 116.7196 54.9500 33.1885 174.5952 79 V 4.5235 8.4533 120.4929 61.0889 34.3622 174.5084 80 W 4.8864 7.3845 127.4669 56.1208 30.8766 175.9026 81 G 3.8108 9.2331 108.7737 45.8369 0.0000 171.0589 82 V 4.6510 7.8770 119.5541 60.9684 33.9255 175.4439 83 V 4.4563 8.6453 128.5029 61.8239 32.8601 174.5432 84 W 5.2597 9.3369 128.1147 54.9735 32.0242 175.2770 85 K 4.8522 9.2993 124.7986 54.0314 34.5796 174.6985 *87 N 4.8322 8.3744 120.7385 53.0154 39.9575 175.4232 88 K 4.2633 8.9067 124.5362 59.5374 31.8446 179.6405 89 S 4.2092 9.2085 114.6633 61.0619 63.0554 175.2216 90 N 4.6200 8.5620 119.3375 53.9256 38.8815 176.1888 91 L 3.7607 7.7286 121.9995 59.1566 42.1771 178.5010 92 N 4.3129 8.0536 115.7390 56.2912 38.4450 177.0951 93 S 4.0511 8.0151 114.0458 61.3983 62.6114 175.9061 94 L 3.7929 8.0148 122.9379 58.1155 41.9395 178.5410 95 D 4.3660 8.2020 118.9557 57.3337 40.8382 178.4503 96 E 3.9251 8.2017 119.8139 59.3456 29.4198 178.8433 97 Q 3.9873 8.0167 117.3975 58.5631 28.7563 177.6795 98 E 4.1407 7.5043 116.6270 54.7770 29.3765 176.2997 99 G 4.0831 8.0883 107.2627 46.1573 0.0000 176.6160 100 V 4.4329 7.6526 119.3920 65.1230 31.8146 178.2221 101 K 3.9963 8.1246 117.5991 59.3156 31.9420 177.7871 102 S 4.3561 7.7757 109.9368 58.1267 63.6163 173.1260 103 G 3.4492 7.7650 109.6448 46.1268 0.0000 172.3507 *105 Y 4.7171 7.2403 118.9419 58.2336 40.7054 174.9666 106 V 4.7579 8.8779 120.8148 59.7717 34.1634 175.5166 107 V 3.9390 8.6197 123.7311 63.3240 32.0072 174.8397 108 I 4.7288 8.8057 120.4913 59.0386 41.5380 173.3910 109 E 5.0710 8.6545 122.8010 54.5810 31.6643 175.1935 110 V 4.5364 8.6561 118.5243 59.4969 36.6735 174.4772 111 K 4.8826 8.4439 121.3009 54.9575 34.0758 176.1078 112 V 4.3515 8.5373 118.1662 59.1952 35.4811 174.5318 113 A 5.2040 8.1739 123.8355 50.1383 21.8965 176.8183 114 T 4.6367 8.6083 112.6470 60.5773 69.7661 175.5199 115 Q 4.2677 8.6028 119.7508 58.5301 28.7373 177.3005 116 E 4.2323 8.2178 115.4511 56.2038 29.8276 176.7754 117 G 3.8156 8.0994 107.1381 45.7066 0.0000 173.1241 118 K 4.3080 7.7959 121.3314 55.1965 33.4848 175.2814 119 E 4.8153 8.6833 128.3995 55.5436 30.9668 175.2735 120 I 4.6642 8.8021 126.6718 59.8512 41.3348 174.3808 121 T 4.7087 8.5308 123.4743 63.0730 69.4713 173.9801 122 C 5.1156 9.1348 123.3442 57.7799 33.1149 173.1747 123 R 4.6152 9.3183 122.2264 56.5975 31.2890 175.6192 124 S 4.7087 8.6737 119.1867 58.0270 66.1208 171.5499 125 Y 5.5160 8.7781 114.8903 55.9890 41.8929 174.3100 126 L 5.0278 9.1122 126.1244 55.6721 44.4121 179.3286 *128 T 4.4680 8.8263 106.9769 60.9928 70.3760 173.5044 129 N 4.9260 7.8621 121.4118 53.0921 40.7823 172.1564 130 Y 5.3037 8.0417 122.2180 55.9430 41.5254 173.5597 131 E 4.5594 9.0453 119.8195 54.2957 32.0114 175.9044 132 S 4.6820 8.6516 119.8246 59.7161 63.8245 174.1074 133 A 4.6631 9.2780 123.2159 50.1789 23.1220 174.1956 134 P 4.7461 0.0000 0.0000 62.1377 32.9221 174.1902 135 P 5.2085 0.0000 0.0000 61.5989 33.0672 175.9388 136 S 4.9367 8.6161 115.0112 57.5422 64.0451 173.2834 137 P 4.2680 0.0000 0.0000 66.1767 30.9860 179.0538 138 Q 4.1377 8.2553 116.2092 59.0939 28.7905 177.8795 139 Y 3.8546 8.1989 120.1369 60.5272 38.7828 177.7871 140 K 3.6867 8.3824 120.8623 59.6144 31.9864 178.7823 141 K 3.9694 7.9557 117.4734 59.4833 32.0299 179.1239 142 I 3.8894 7.6203 119.0896 64.2856 37.2345 178.1781 143 I 3.7880 7.4168 120.5700 64.5045 36.9554 179.9405 144 C 4.4413 8.0577 115.8670 59.9756 27.8793 176.1666 *146 G 3.8620 8.1168 110.9366 45.6713 0.0000 175.7054 147 A 3.9847 8.3222 123.8231 54.8904 18.9283 179.6514 148 K 4.0828 8.3443 116.2458 59.1824 32.5684 178.2568 149 E 3.8488 8.3598 117.8206 59.2140 29.2861 177.2509 150 N 4.4615 8.2646 112.3732 52.3079 38.9649 174.7929 151 G 3.7399 7.6314 105.3716 46.4739 0.0000 174.6600 152 L 4.0863 7.7687 117.9853 53.2882 42.7188 176.6154 153 P 4.0995 0.0000 0.0000 62.6911 33.0847 177.7425 154 L 3.9275 8.2459 120.5622 58.0373 41.5475 179.5509 155 E 3.9214 8.0383 118.7424 59.3683 29.5546 178.1201 156 Y 4.0540 7.8074 119.2299 60.6477 38.7992 177.4493 157 Q 3.9694 8.1666 119.1129 58.9877 28.6363 178.6735 158 E 3.9429 8.3199 119.6635 59.1763 29.2226 179.4931 159 K 3.8863 7.4051 117.4384 59.4386 32.5121 179.0357 160 L 4.0436 7.7084 119.1894 57.7673 41.3349 179.7991 161 K 4.0426 8.0708 116.9226 58.6809 32.0296 178.3351 162 A 4.2796 7.4127 119.0940 51.6751 19.1078 177.5603 163 I 3.7679 7.0310 119.1969 60.9829 37.7236 175.5298 164 E 4.2720 8.5820 124.9333 54.7312 29.8995 174.8433 165 P 4.6252 0.0000 0.0000 61.4157 32.9319 175.0438 166 N 4.7707 8.8362 116.8358 52.4451 38.9168 174.9588 167 D 4.8869 8.4207 117.7913 53.4379 39.7532 175.3571 168 Y 4.1693 8.4919 122.1014 58.7101 38.9579 175.3928 169 T 4.4142 7.7419 115.1832 61.0089 69.9274 174.7824 170 G 3.4323 5.3800 111.2249 44.6387 0.0000 172.6055 171 K 4.0874 8.5086 121.0609 56.3002 32.6074 177.8562 172 V 4.3710 7.7673 119.7705 59.1740 34.1041 176.0427 173 S 4.1424 8.2113 115.1142 58.9618 64.1604 174.6434 174 E 3.9221 8.8888 124.7054 60.0330 29.1944 179.8494 175 E 3.9999 8.1158 116.5880 59.3609 29.7515 179.1182 176 I 3.7671 7.5722 120.4578 64.3182 37.1292 178.1236 177 E 4.0447 8.5955 119.8523 59.5391 29.3472 179.2478 178 D 4.3521 8.2748 118.8568 57.3781 40.6764 178.7505 179 I 3.7327 7.2821 119.2137 64.4754 37.2024 178.3192 180 I 3.8791 7.5017 118.6846 64.3668 37.0877 178.0239 181 K 4.0477 7.9724 118.4534 59.5604 32.0883 177.4053 182 K 4.2982 7.8042 121.2730 57.2474 32.9822 176.3372 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 14 E 8.44 4.35 0.00 1.99 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 2.22 2.35 0.00 15 E 8.00 4.14 0.00 2.13 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 2.39 2.41 0.00 16 S 7.72 5.37 0.00 3.70 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 17 F 8.15 5.05 0.00 3.03 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 18 L 8.58 4.91 0.00 1.53 1.42 0.52 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.90 5.51 0.00 3.25 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 20 F 9.31 5.05 0.00 2.90 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 21 A 8.12 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.60 4.61 0.00 3.07 2.79 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 23 G 6.78 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.39 3.94 0.00 3.98 3.61 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 25 N 7.97 4.74 0.00 2.79 2.90 0.00 0.00 6.95 7.85 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 26 L 7.87 4.23 0.00 1.73 1.80 1.05 1.01 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 27 L 7.77 4.58 0.00 1.95 1.69 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 T 9.18 3.93 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 1.24 0.00 0.00 29 E 8.09 4.03 0.00 1.95 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 2.34 2.46 0.00 30 R 7.86 4.03 0.00 2.00 2.12 0.00 3.34 0.00 0.00 3.53 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 31 I 7.66 3.64 1.36 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.90 -0.11 0.00 0.00 32 H 7.92 4.41 0.00 3.21 3.29 0.00 5.74 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 33 L 7.47 4.11 0.00 1.73 1.72 0.94 0.90 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 34 R 7.81 4.40 0.00 1.79 1.92 0.00 3.27 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 35 N 7.99 5.03 0.00 2.67 2.61 0.00 0.00 6.59 7.55 0.00 0.00 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 P 0.00 4.27 0.00 2.10 2.22 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 37 S 7.83 4.48 0.00 3.99 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.84 4.24 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 39 A 8.85 5.09 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 40 F 9.51 3.63 0.00 2.88 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 41 F 7.45 4.62 0.00 2.82 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 42 C 6.62 4.13 0.00 2.81 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 4.68 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 1.20 0.00 0.00 1.16 0.00 0.00 44 A 9.26 4.96 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 45 R 8.22 3.80 0.00 0.67 0.80 0.00 3.06 0.00 0.00 2.60 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 46 L 8.52 4.32 0.00 1.03 1.36 0.49 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.47 4.28 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 48 D 9.15 4.67 0.00 2.86 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 49 F 8.14 5.06 0.00 2.68 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 50 K 8.54 4.46 0.00 1.42 0.74 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.10 1.25 7.81 51 L 8.43 4.43 0.00 1.71 1.57 0.84 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.75 5.04 0.00 3.06 2.62 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 53 F 8.63 5.28 0.00 3.21 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.98 4.45 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 0.00 55 N 9.25 5.29 0.00 2.76 2.94 0.00 0.00 7.08 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 56 S 8.68 4.46 0.00 3.79 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 57 Q 9.88 3.49 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 58 G 8.38 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.89 4.36 0.00 1.86 1.76 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.59 7.81 60 T 8.37 4.24 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 1.20 0.00 0.00 61 S 8.79 4.02 0.00 3.89 3.94 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 62 Q 8.49 4.15 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 63 T 7.68 3.78 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 0.28 0.00 0.00 64 W 8.01 4.59 0.00 3.03 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 65 H 7.60 3.84 0.00 2.20 2.34 0.00 5.90 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 66 G 7.54 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 67 G 9.01 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.43 4.27 1.76 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.95 0.52 0.00 0.00 69 A 9.00 4.35 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 70 T 8.63 5.39 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 0.69 0.00 0.00 71 I 8.22 5.16 1.84 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.87 0.03 0.00 0.00 72 F 8.36 5.23 0.00 3.11 3.23 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 73 Q 8.61 3.69 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.03 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.00 74 S 8.71 4.41 0.00 3.92 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.56 0.00 2.06 1.97 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 76 G 9.94 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 77 D 7.78 4.98 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.54 5.14 0.00 1.74 1.83 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 2.34 2.49 0.00 79 V 8.45 4.52 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 1.01 0.00 0.00 0.91 0.00 0.00 80 W 7.38 4.89 0.00 1.84 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 81 G 9.23 3.81 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 0.00 0.00 0.00 82 V 7.88 4.65 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 -0.23 0.00 0.00 0.95 0.00 0.00 83 V 8.65 4.46 2.14 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 0.84 0.00 0.00 1.04 0.00 0.00 84 W 9.34 5.26 0.00 3.42 3.14 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 85 K 9.30 4.85 0.00 1.68 1.71 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 0.99 7.81 *87 N 8.37 4.83 0.00 2.81 2.75 0.00 0.00 6.88 6.75 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 88 K 8.91 4.26 0.00 2.06 1.90 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.67 7.81 89 S 9.21 4.21 0.00 4.00 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 90 N 8.56 4.62 0.00 2.82 3.12 0.00 0.00 6.68 6.21 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 91 L 7.73 3.76 0.00 1.95 1.53 -0.35 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.05 4.31 0.00 2.75 2.83 0.00 0.00 6.69 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 93 S 8.02 4.05 0.00 3.86 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 94 L 8.01 3.79 0.00 1.77 1.79 0.44 0.85 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 95 D 8.20 4.37 0.00 2.99 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.20 3.93 0.00 1.98 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 2.28 2.47 0.00 97 Q 8.02 3.99 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 98 E 7.50 4.14 0.00 1.26 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.02 0.00 0.00 108 I 8.81 4.73 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.52 1.00 0.00 0.00 109 E 8.65 5.07 0.00 1.93 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 2.14 2.26 0.00 110 V 8.66 4.54 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 0.34 0.00 0.00 0.65 0.00 0.00 111 K 8.44 4.88 0.00 1.51 1.62 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.36 7.81 112 V 8.54 4.35 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 0.72 0.00 0.00 113 A 8.17 5.20 1.05 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 0.00 0.00 114 T 8.61 4.64 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 1.22 0.00 0.00 115 Q 8.60 4.27 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.06 0.00 0.00 0.00 0.00 0.00 2.54 2.76 0.00 116 E 8.22 4.23 0.00 1.93 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 2.28 2.36 0.00 117 G 8.10 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.80 4.31 0.00 1.88 1.67 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.37 7.81 119 E 8.68 4.82 0.00 1.97 1.78 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 2.20 2.25 0.00 120 I 8.80 4.66 1.83 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 1.34 0.68 0.89 0.00 0.00 121 T 8.53 4.71 4.21 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 1.18 0.00 0.00 122 C 9.13 5.12 0.00 2.76 2.86 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 0.00 123 R 9.32 4.62 0.00 1.89 2.12 0.00 2.74 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.37 0.00 124 S 8.67 4.71 0.00 4.10 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 0.00 125 Y 8.78 5.52 0.00 2.81 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 0.00 126 L 9.11 5.03 0.00 2.03 1.49 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 *128 T 8.83 4.47 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 1.30 0.00 0.00 129 N 7.86 4.93 0.00 2.77 2.72 0.00 0.00 6.73 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 0.00 130 Y 8.04 5.30 0.00 3.00 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 0.00 131 E 9.05 4.56 0.00 1.97 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 2.18 2.23 0.00 132 S 8.65 4.68 0.00 3.81 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 9.28 4.66 1.27 0.00 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0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.78 7.81 142 I 7.62 3.89 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.08 0.92 0.00 0.00 143 I 7.42 3.79 1.84 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.16 0.91 0.00 0.00 144 C 8.06 4.44 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 *146 G 8.12 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 0.00 147 A 8.32 3.98 1.44 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 0.00 0.00 0.00 148 K 8.34 4.08 0.00 1.90 1.80 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.32 7.81 149 E 8.36 3.85 0.00 1.96 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 0.00 2.26 2.35 0.00 150 N 8.26 4.46 0.00 2.86 2.79 0.00 0.00 7.10 7.80 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 0.00 151 G 7.63 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.77 4.09 0.00 1.83 1.61 0.99 1.09 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 0.00 153 P 0.00 4.10 0.00 1.52 1.49 0.00 2.61 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.97 0.00 154 L 8.25 3.93 0.00 1.62 1.67 0.88 0.74 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 0.00 155 E 8.04 3.92 0.00 2.02 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 2.42 2.38 0.00 156 Y 7.81 4.05 0.00 2.93 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 0.00 157 Q 8.17 3.97 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 158 E 8.32 3.94 0.00 2.12 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 2.48 2.47 0.00 159 K 7.41 3.89 0.00 1.51 1.68 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.72 7.81 160 L 7.71 4.04 0.00 1.73 1.66 1.04 0.54 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 0.00 161 K 8.07 4.04 0.00 1.81 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.56 7.81 162 A 7.41 4.28 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 0.00 163 I 7.03 3.77 1.81 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 1.34 0.80 0.67 0.00 0.00 164 E 8.58 4.27 0.00 1.96 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 2.28 2.29 0.00 165 P 0.00 4.63 0.00 2.19 2.03 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 166 N 8.84 4.77 0.00 2.86 2.96 0.00 0.00 6.87 8.57 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 0.00 167 D 8.42 4.89 0.00 2.81 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 0.00 168 Y 8.49 4.17 0.00 3.02 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 0.00 169 T 7.74 4.41 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 1.18 0.00 0.00 170 G 5.38 3.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 K 8.51 4.09 0.00 1.75 1.78 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 172 V 7.77 4.37 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 0.93 0.00 0.00 1.06 0.00 0.00 173 S 8.21 4.14 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.89 3.92 0.00 2.01 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 2.41 2.39 0.00 175 E 8.12 4.00 0.00 2.18 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 0.00 2.31 2.35 0.00 176 I 7.57 3.77 1.92 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.93 1.06 0.00 0.00 177 E 8.60 4.04 0.00 2.10 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 0.00 2.51 2.52 0.00 178 D 8.27 4.35 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 I 7.28 3.73 2.08 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 1.55 0.62 0.96 0.00 0.00 180 I 7.50 3.88 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.56 0.96 0.00 0.00 181 K 7.97 4.05 0.00 1.85 1.92 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.73 7.81 182 K 7.80 4.30 0.00 1.96 1.80 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.69 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.