NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 L 4.9104 8.2077 122.4922 54.6039 42.8405 178.0673 16 R 4.4430 7.8902 113.4195 56.3016 31.5583 175.2382 17 L 4.3622 8.1327 125.2469 52.9288 44.6683 178.5933 18 L 3.4213 9.2764 111.8010 57.8225 37.9763 174.3591 19 N 3.9508 8.5928 130.6502 53.2371 35.8717 174.8120 20 T 3.9641 8.7482 109.6792 65.4301 68.7635 172.4128 21 N 4.2675 8.2497 121.7997 55.1513 38.3976 180.3297 22 V 4.6320 8.4265 126.3201 59.2342 32.2751 171.7446 23 D 4.7446 9.0944 128.8509 51.9649 42.7458 175.1445 24 G 4.4509 9.7366 105.0549 46.5620 0.0000 173.9682 25 N 4.6716 9.2757 120.2125 52.4173 35.9621 176.6266 26 I 4.4928 7.0688 114.8623 60.2254 36.5381 180.5299 27 K 3.4950 8.3784 126.0945 55.2982 30.8256 175.8123 28 I 3.9259 8.1433 121.5674 61.5988 35.8493 176.6486 29 V 3.4128 8.5245 119.8327 62.2847 29.6240 173.4388 *30 Y 4.4576 7.7189 117.5312 59.4324 38.3866 182.4706 31 A 4.1220 7.9207 125.6003 55.0739 18.6234 179.5279 32 L 4.3929 8.0414 116.2326 55.7921 40.4525 183.0311 33 T 5.0217 7.8465 115.4365 64.0032 69.3642 181.4020 34 T 4.0765 7.5549 114.9355 63.0639 68.8983 177.7151 35 I 4.0394 7.9509 122.0168 62.0641 33.8239 181.1832 36 K 4.9936 6.9774 124.3635 57.6014 30.1124 176.6602 37 G 3.9741 8.7324 117.4065 45.1951 0.0000 173.8871 38 V 4.4063 8.3605 117.9282 58.9800 33.8167 180.0105 39 G 4.4386 8.1416 112.5852 43.5904 0.0000 173.6149 40 R 3.4572 8.8675 122.0975 61.4483 29.2676 174.3645 41 R 4.7133 7.9284 120.0389 60.9177 30.9956 183.0706 *42 Y 4.2688 8.0548 122.9321 63.5429 36.7069 181.4505 43 S 4.2575 9.0880 123.2986 64.4979 62.1615 178.8804 44 N 4.7059 8.6286 125.0505 56.4979 37.4386 179.6255 45 L 4.2471 7.3199 124.9835 61.3744 41.6320 182.0667 46 V 4.0235 8.4001 122.2989 66.1985 31.0811 180.6814 47 C 4.6855 7.5204 118.4692 58.3232 28.2440 177.8189 48 K 4.5270 10.6087 123.4792 57.6912 34.3493 181.9782 49 K 4.1312 8.5171 119.8472 55.8149 31.2436 179.6501 50 A 4.2699 8.3437 123.4363 53.6748 18.2375 178.8544 51 D 4.5052 7.8414 115.3412 54.5949 38.1327 179.3884 52 V 3.9040 7.3665 118.2030 61.7607 32.2389 181.6499 53 D 4.6463 8.7088 126.3126 52.3999 37.8926 174.2652 54 L 3.9279 8.5788 128.7882 57.8637 41.2719 178.1602 *55 H 4.2172 8.6735 116.6820 58.3637 28.0144 178.7103 56 K 4.1553 8.3141 126.5549 54.6334 32.9058 179.6750 57 R 4.7947 8.4388 118.6482 57.0788 32.0518 177.7253 58 A 4.6597 8.9126 126.9979 52.7672 18.4773 181.1591 59 G 3.7749 9.6455 114.5836 50.7995 0.0000 173.7406 60 E 4.2962 7.8368 118.8224 55.0177 30.4296 181.6919 61 L 4.8027 8.2200 128.2330 53.5310 44.1699 171.3774 62 T 3.9665 8.1003 117.7302 61.0980 68.9941 174.0317 63 Q 4.1016 9.0489 127.4896 57.8890 28.4248 176.4324 64 E 4.1462 8.3160 118.9467 59.6540 29.9438 182.3801 65 E 4.4224 9.1181 118.3841 60.6513 29.4916 183.8795 66 L 4.0370 8.7223 126.1881 59.9565 42.5278 180.5593 67 E 4.2330 8.6219 121.6891 62.0445 29.7950 182.7800 68 R 4.3080 9.6769 124.5906 61.6252 29.0063 181.3999 69 I 4.0724 7.7462 122.2335 65.5271 35.2606 181.4921 70 V 4.1711 7.8541 120.9954 64.1558 31.6181 182.5284 71 Q 4.8399 8.9456 122.2891 58.7726 27.4301 184.3391 72 I 3.9244 7.5013 118.2216 66.6390 36.2603 178.6650 73 M 4.5535 8.2923 119.0039 54.8723 30.7417 179.1624 74 Q 5.6237 8.7951 122.5407 56.4866 32.2188 177.7516 75 N 5.0690 8.3408 117.3561 54.4141 43.4313 178.0834 76 P 4.5187 0.0000 0.0000 66.1689 31.3637 181.6223 77 T 4.4232 10.1716 111.1664 61.8004 68.2510 176.0831 *78 H 5.1491 7.7839 120.9147 56.2075 31.7004 176.3594 *79 Y 4.4643 7.1823 115.3943 57.3265 34.1490 173.2322 80 K 4.8688 8.7022 135.0000 51.7589 33.3648 175.3616 81 I 3.3963 8.1041 118.2279 60.8298 34.1042 175.8127 82 P 4.7490 0.0000 0.0000 62.4629 30.6567 178.5301 83 A 3.9494 8.0095 126.2396 52.4668 17.4901 179.0866 *84 W 4.4857 7.6023 122.1434 56.0062 34.3994 177.8816 *85 F 4.7025 7.7987 120.5175 57.6532 38.5549 180.6308 86 L 4.6347 8.4679 122.9070 54.7057 43.8005 174.5769 *94 D 4.4305 8.3326 116.1974 53.2940 39.9429 176.5608 95 G 3.9056 8.5385 116.5091 45.8251 0.0000 169.9712 96 K 4.5030 7.9007 119.2611 55.2761 35.6204 177.9453 97 D 4.9506 7.7124 118.0099 54.1469 47.3800 179.2036 *98 Y 4.6021 7.6659 120.2871 57.2609 39.6516 177.9635 *99 H 4.4884 9.3362 115.8281 56.0508 28.4099 177.9410 100 T 4.7459 7.5128 111.3489 62.1730 69.5992 177.3672 101 L 4.3780 7.5728 125.2371 55.1708 48.0181 172.9417 102 A 5.3066 8.5046 127.6260 54.9142 15.4623 179.2996 *103 N 4.6717 9.1679 122.5896 54.8313 38.1961 177.1653 104 N 4.9412 7.9998 116.6879 53.8913 37.7404 182.8812 105 V 4.1044 7.2175 123.7750 65.3085 31.4429 181.9483 106 E 4.1272 7.9995 118.9207 61.8685 30.1962 182.1290 107 S 4.4071 8.3613 121.8352 64.1492 62.2206 179.6586 108 K 4.2677 7.8365 129.2913 60.0473 31.3261 181.3172 109 L 4.2185 8.2556 125.7163 60.3167 40.6759 182.3979 110 R 4.1909 8.3569 123.4311 62.2234 29.2551 180.8726 111 D 4.6964 8.2452 124.6111 59.3182 39.7027 181.2441 112 D 4.6959 8.3355 124.9119 58.2216 40.0355 180.6728 113 L 4.4639 8.4556 125.1231 58.5493 40.5341 181.2749 114 E 4.4781 7.7493 118.6706 61.9813 30.7240 184.0814 115 R 4.2906 8.0243 123.3794 62.0598 28.2210 180.6550 116 L 4.6447 8.3464 123.9327 58.7568 42.0538 179.8402 117 K 4.5211 7.8935 129.0319 53.2441 32.0290 180.2737 118 K 4.4780 8.4855 135.0000 55.8361 32.8912 177.0343 119 I 3.7387 5.4200 120.4909 61.7992 36.3992 175.6411 120 R 4.0753 7.9393 125.3651 56.3325 29.9332 181.2256 121 A 4.6203 8.3865 127.0824 50.1541 21.5459 176.7973 *122 H 4.0427 9.2074 123.0434 57.8303 28.0113 173.2720 123 R 4.7027 8.0592 113.6128 56.1290 29.5436 180.8665 124 G 4.1157 10.8499 105.2041 47.3323 0.0000 176.2898 125 I 4.1504 7.9356 124.9982 65.0904 35.4847 180.6409 126 R 4.3123 8.2026 121.1320 61.8137 28.9846 183.5240 *127 H 4.5809 9.3490 119.8203 60.8562 28.2298 183.3870 *128 F 4.4214 8.0937 124.4119 62.1889 38.0040 179.3920 *129 W 4.4980 8.0306 123.1088 61.6470 28.1419 179.3555 130 G 4.3392 7.8188 108.8738 45.7996 0.0000 174.3783 131 L 4.3731 7.7457 121.1998 53.3010 42.0105 181.3692 132 R 4.1673 8.3662 119.9079 57.3228 29.7965 179.1083 133 V 3.7448 8.3500 118.4523 64.1483 31.9455 178.4141 134 R 4.7715 7.5134 116.0668 53.8031 34.9650 181.5488 135 G 3.4908 10.1559 107.3176 48.0061 0.0000 176.5213 136 Q 3.1900 9.3978 122.8070 56.6494 25.1108 175.7398 *137 H 4.4920 8.2573 123.8551 53.9938 26.3221 173.8667 138 T 4.4897 7.6935 116.0209 60.4003 68.1818 176.7673 139 K 4.4795 8.2116 131.6228 53.2909 33.0682 173.2969 140 T 4.5968 7.6198 117.5275 62.5683 76.4400 176.6044 141 T 4.3173 7.3854 117.1414 60.7824 69.6647 175.9427 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 15 L 8.21 4.91 0.00 1.45 1.62 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.89 4.44 0.00 1.84 1.69 0.00 3.21 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.00 17 L 8.13 4.36 0.00 1.75 1.48 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 L 9.28 3.42 0.00 1.64 1.85 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.59 3.95 0.00 2.87 2.42 0.00 0.00 6.81 7.71 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 20 T 8.75 3.96 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 1.21 0.00 0.00 21 N 8.25 4.27 0.00 2.42 2.79 0.00 0.00 6.72 7.13 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 22 V 8.43 4.63 2.08 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 0.89 0.00 0.00 0.93 0.00 0.00 23 D 9.09 4.74 0.00 2.36 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 24 G 9.74 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 25 N 9.28 4.67 0.00 2.84 3.13 0.00 0.00 6.33 7.72 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 26 I 7.07 4.49 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 1.27 1.23 0.91 0.00 0.00 27 K 8.38 3.49 0.00 1.75 1.71 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 0.98 7.81 28 I 8.14 3.93 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 1.16 0.53 0.91 0.00 0.00 29 V 8.52 3.41 2.08 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 0.83 0.00 0.00 0.93 0.00 0.00 *30 Y 7.72 4.46 0.00 2.25 2.29 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 31 A 7.92 4.12 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 32 L 8.04 4.39 0.00 1.68 1.55 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.85 5.02 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 1.21 0.00 0.00 34 T 7.55 4.08 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 1.21 0.00 0.00 35 I 7.95 4.04 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 1.16 0.54 0.91 0.00 0.00 36 K 6.98 4.99 0.00 1.70 1.74 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.07 7.81 37 G 8.73 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 38 V 8.36 4.41 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 39 G 8.14 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 0.00 0.00 0.00 0.00 40 R 8.87 3.46 0.00 1.92 1.88 0.00 3.24 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.00 41 R 7.93 4.71 0.00 1.79 1.93 0.00 3.23 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.23 0.00 *42 Y 8.05 4.27 0.00 2.31 2.34 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 43 S 9.09 4.26 0.00 3.61 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 44 N 8.63 4.71 0.00 2.81 2.56 0.00 0.00 6.49 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 45 L 7.32 4.25 0.00 1.64 1.71 0.92 1.12 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 46 V 8.40 4.02 2.08 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 0.71 0.00 0.00 0.93 0.00 0.00 47 C 7.52 4.69 0.00 2.68 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 48 K 10.61 4.53 0.00 1.61 1.74 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.23 7.81 49 K 8.52 4.13 0.00 1.63 1.84 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.27 7.81 50 A 8.34 4.27 1.30 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 0.00 0.00 51 D 7.84 4.51 0.00 2.89 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 52 V 7.37 3.90 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 53 D 8.71 4.65 0.00 2.60 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 54 L 8.58 3.93 0.00 1.65 1.66 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.67 4.22 0.00 2.92 3.04 0.00 7.22 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.31 4.16 0.00 1.39 1.77 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.32 7.81 57 R 8.44 4.79 0.00 1.56 1.12 0.00 3.23 0.00 0.00 3.23 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 58 A 8.91 4.66 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 59 G 9.65 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 0.00 0.00 0.00 60 E 7.84 4.30 0.00 1.95 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 0.00 2.23 2.12 0.00 61 L 8.22 4.80 0.00 1.67 1.46 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.10 3.97 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 1.21 0.00 0.00 63 Q 9.05 4.10 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.87 0.00 0.00 0.00 0.00 0.00 2.37 1.94 0.00 64 E 8.32 4.15 0.00 2.06 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 2.23 1.94 0.00 65 E 9.12 4.42 0.00 1.99 1.62 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 2.25 2.20 0.00 66 L 8.72 4.04 0.00 1.67 1.64 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.62 4.23 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 68 R 9.68 4.31 0.00 1.82 1.96 0.00 3.24 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 69 I 7.75 4.07 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 1.50 0.54 0.91 0.00 0.00 70 V 7.85 4.17 2.08 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 0.90 0.00 0.00 0.93 0.00 0.00 71 Q 8.95 4.84 0.00 2.07 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.47 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 72 I 7.50 3.92 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 1.15 1.60 0.91 0.00 0.00 73 M 8.29 4.55 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 74 Q 8.80 5.62 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.71 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 75 N 8.34 5.07 0.00 2.67 2.67 0.00 0.00 6.76 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.52 0.00 1.99 2.07 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 2.01 1.58 0.00 77 T 10.17 4.42 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 1.21 0.00 0.00 *78 H 7.78 5.15 0.00 2.76 2.92 0.00 7.18 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 Y 7.18 4.46 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.70 4.87 0.00 1.91 1.63 0.00 1.93 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.16 0.98 7.81 81 I 8.10 3.40 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 1.16 1.00 0.91 0.00 0.00 82 P 0.00 4.75 0.00 1.98 2.01 0.00 3.81 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 1.94 1.56 0.00 83 A 8.01 3.95 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 *84 W 7.60 4.49 0.00 2.46 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 0.00 0.00 0.00 *85 F 7.80 4.70 0.00 2.05 1.86 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 86 L 8.47 4.63 0.00 1.62 1.44 0.92 0.84 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 *94 D 8.33 4.43 0.00 2.72 2.58 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 95 G 8.54 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 96 K 7.90 4.50 0.00 1.74 1.52 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 0.95 7.81 97 D 7.71 4.95 0.00 2.63 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *98 Y 7.67 4.60 0.00 2.35 1.43 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 *99 H 9.34 4.49 0.00 2.98 3.27 0.00 7.12 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 T 7.51 4.75 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 1.21 0.00 0.00 101 L 7.57 4.38 0.00 1.59 0.91 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.50 5.31 1.18 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 0.00 0.00 *103 N 9.17 4.67 0.00 2.76 2.73 0.00 0.00 6.31 7.99 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 0.00 104 N 8.00 4.94 0.00 2.62 2.78 0.00 0.00 7.00 7.67 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 0.00 105 V 7.22 4.10 2.08 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 0.71 0.00 0.00 0.93 0.00 0.00 106 E 8.00 4.13 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.00 0.00 107 S 8.36 4.41 0.00 3.72 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 0.00 108 K 7.84 4.27 0.00 1.85 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.32 7.81 109 L 8.26 4.22 0.00 1.63 1.70 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.36 4.19 0.00 1.81 2.01 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 111 D 8.25 4.70 0.00 2.67 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 0.00 112 D 8.34 4.70 0.00 2.68 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 0.00 113 L 8.46 4.46 0.00 1.62 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.75 4.48 0.00 2.03 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 0.00 2.19 2.17 0.00 115 R 8.02 4.29 0.00 1.88 1.93 0.00 3.23 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 116 L 8.35 4.64 0.00 1.65 1.67 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 117 K 7.89 4.52 0.00 1.75 1.70 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.29 7.81 118 K 8.49 4.48 0.00 1.71 1.56 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.20 0.76 7.81 119 I 5.42 3.74 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 1.16 1.10 0.91 0.00 0.00 120 R 7.94 4.08 0.00 1.97 1.89 0.00 3.18 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 121 A 8.39 4.62 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 *122 H 9.21 4.04 0.00 2.94 3.04 0.00 7.15 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 0.00 123 R 8.06 4.70 0.00 1.78 1.77 0.00 3.17 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 124 G 10.85 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.94 4.15 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 1.50 0.70 0.91 0.00 0.00 126 R 8.20 4.31 0.00 1.81 1.97 0.00 3.21 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 *127 H 9.35 4.58 0.00 3.01 3.00 0.00 7.18 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *128 F 8.09 4.42 0.00 2.37 2.23 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 *129 W 8.03 4.50 0.00 2.57 2.25 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 0.00 130 G 7.82 4.34 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 0.00 131 L 7.75 4.37 0.00 1.68 1.46 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.37 4.17 0.00 1.82 1.75 0.00 3.24 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 133 V 8.35 3.74 2.08 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 0.86 0.00 0.00 0.93 0.00 0.00 134 R 7.51 4.77 0.00 1.77 1.70 0.00 3.33 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 135 G 10.16 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.40 3.19 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.47 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 *137 H 8.26 4.49 0.00 2.93 2.92 0.00 7.16 0.00 0.00 0.00 0.00 6.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 T 7.69 4.49 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 1.21 0.00 0.00 139 K 8.21 4.48 0.00 1.70 1.62 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.18 0.91 7.81 140 T 7.62 4.60 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 1.21 0.00 0.00 141 T 7.39 4.32 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.