NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2839 8.1329 117.3741 63.3160 70.8112 176.2992 6 Q 3.8796 8.2014 123.1169 59.9739 28.7515 182.1907 7 S 4.4261 8.8194 121.6700 62.9282 62.8979 177.7149 8 L 4.1926 8.0910 124.1191 58.7752 41.6438 180.7464 9 R 4.0708 7.7292 122.0711 61.9072 29.1765 181.2188 10 E 4.2061 8.6047 118.1534 61.3004 29.6074 182.6482 11 V 3.7952 7.7999 117.9035 65.9060 31.4908 177.9037 12 I 3.9439 7.6131 120.8852 64.8493 37.1426 178.6237 13 K 4.1247 7.6778 122.5331 59.6240 31.4903 182.0997 14 A 4.3265 8.0126 121.9977 52.1635 18.2251 179.1331 *16 T 4.0508 8.0558 120.0642 65.1247 70.5999 175.6688 17 K 4.3187 9.0115 122.5648 55.3158 33.5701 182.2578 18 A 4.0447 7.8131 122.4770 53.0216 18.9371 177.7955 19 R 4.4201 8.3519 117.8111 57.1999 30.8841 178.0611 20 N 4.7739 7.7161 113.7400 52.8305 38.2128 174.7701 21 F 4.2531 8.8313 117.6830 60.8793 39.5622 177.3644 22 E 4.1569 9.1638 118.2584 58.3280 29.2693 178.7888 23 R 3.9403 7.5842 116.5552 59.1190 29.2004 178.8183 24 V 3.6978 7.0638 111.4269 62.7589 31.6243 176.5639 25 L 4.5424 7.5622 118.6363 54.1959 41.8606 178.3316 26 G 3.7271 7.9381 110.6191 48.7198 0.0000 175.2312 27 K 4.2445 7.9158 116.3884 56.7943 32.5368 177.1826 28 I 4.1680 7.4768 113.8016 60.7060 38.4219 175.3084 29 T 4.6734 8.3527 112.5583 59.7252 71.4591 173.0439 30 L 4.2469 8.5918 126.7427 55.4364 42.6922 175.0249 31 V 4.4044 8.7205 123.2097 63.7931 33.0030 175.4522 32 S 4.8498 7.7386 113.5024 56.6002 66.6868 171.8206 33 A 5.0190 8.3486 122.2460 50.5415 22.0877 174.9152 34 A 4.2829 8.5342 122.2969 50.4815 22.6615 173.5199 35 P 4.9341 0.0000 0.0000 63.5185 31.1943 176.7601 36 G 3.9555 9.2034 110.8351 45.6529 0.0000 171.6290 37 K 5.4826 8.0065 120.7840 54.3716 35.8836 175.0978 38 V 4.8764 8.4046 126.2917 61.1489 35.1841 173.6965 39 I 4.9112 8.7422 128.3092 59.8450 39.8598 174.5203 40 C 5.3558 9.1559 123.8792 58.2200 32.9686 172.6965 41 E 5.2659 8.6586 118.2415 53.7715 33.8534 174.0878 *43 K 4.4565 8.4990 120.0925 56.6339 33.3906 176.1850 44 V 3.9144 8.9250 128.3198 63.0759 32.6696 174.9614 45 E 4.9967 9.0056 125.9147 53.7876 33.5356 176.0721 46 E 3.9275 8.9041 120.2843 59.6383 29.3943 178.8426 47 E 4.0442 8.0123 114.3719 58.6846 29.8563 176.9064 48 H 4.7289 8.4283 116.6113 55.9578 29.4598 175.0826 49 T 4.8849 7.5211 110.4691 60.8136 70.3106 173.9526 50 N 5.0306 8.5175 120.0473 51.1625 39.8881 175.0294 51 A 3.9754 8.6651 120.0091 55.5700 18.4112 178.5240 52 I 4.1162 7.8721 106.5348 60.8375 37.7588 176.4974 53 G 3.8758 8.3427 108.3227 45.8233 0.0000 173.0262 54 T 4.6559 7.8547 109.9184 58.6737 72.4833 172.9870 55 L 4.3274 8.5550 124.0435 56.0042 42.5468 176.2337 56 H 4.2049 9.5022 127.6797 55.8978 30.4837 176.5079 57 G 3.8580 8.8921 112.5790 47.8521 0.0000 175.9154 58 G 3.7538 8.4766 107.6174 47.6027 0.0000 175.5403 59 L 4.0736 8.0360 122.2603 58.2065 42.1546 178.8527 60 T 3.8525 8.1412 115.6025 66.7314 68.4138 176.3396 61 A 4.0292 8.1598 122.5096 55.3811 18.3360 179.8237 62 T 3.8855 8.1241 114.2569 66.8303 68.5753 176.7287 63 L 3.9779 8.6516 121.7407 57.8923 41.7441 179.8347 64 V 3.5473 8.1386 118.3804 65.9241 31.5475 177.4309 65 D 4.1265 8.4426 118.0601 57.5293 40.9090 178.0908 66 N 4.3619 8.2804 115.8593 56.5374 38.7416 177.4927 67 I 3.8753 7.7409 119.8309 64.0717 37.2615 178.1574 68 S 4.3164 8.0347 114.2599 61.4028 62.3212 177.1408 69 T 4.0849 7.6936 117.1039 63.5806 68.1776 176.2918 *71 A 4.2730 7.9973 125.2280 52.3062 20.5360 180.0457 72 L 4.0646 7.5901 115.7060 57.7298 41.3360 179.3989 73 L 4.2262 7.7520 117.2256 56.5523 41.8850 177.8643 74 C 4.5742 7.8433 116.3898 59.0196 28.1257 173.4701 75 T 4.6372 7.1108 119.1157 61.9971 69.7300 175.7264 76 E 3.8905 8.7020 123.1747 59.5682 29.3963 177.9977 77 R 3.8613 8.1500 118.7061 58.4548 30.2356 177.9446 78 G 3.7495 7.6062 102.6939 45.6952 0.0000 172.7635 79 A 4.3073 7.3099 123.9362 50.2964 19.1562 176.4235 80 P 4.2029 0.0000 0.0000 65.0527 31.5518 178.1764 81 G 4.0116 8.0380 101.9200 44.9458 0.0000 172.0900 82 V 4.4359 8.1429 119.0542 60.7002 34.0215 175.2662 83 S 4.3537 8.6837 122.9655 59.2047 62.9254 173.0543 84 V 4.2245 8.6995 123.2776 64.2769 33.2154 174.7387 85 D 4.8994 7.5508 117.3049 52.6468 46.0560 173.3349 *87 N 4.8445 8.5104 115.1163 53.3013 38.9105 173.6064 88 I 4.9325 8.1901 120.4858 59.9511 41.3639 174.4639 89 T 4.5371 8.6980 123.3711 62.0475 70.7469 173.2365 90 Y 4.8517 8.6148 123.9286 56.3820 40.5392 175.2587 *92 S 4.3263 8.3128 115.0988 57.6476 64.7088 171.5818 93 P 4.7262 0.0000 0.0000 62.6304 32.4051 175.8510 94 A 4.8871 8.5757 126.5323 50.7176 20.9220 177.3061 95 K 4.4413 8.8895 123.6709 54.3072 32.6759 173.5372 96 L 4.2199 8.1754 120.5913 57.4232 42.3629 177.4925 97 G 4.0320 9.1587 114.5276 45.3126 0.0000 173.4423 98 E 4.1643 7.8925 121.7126 56.2760 30.9784 175.4163 99 D 5.1980 8.6972 126.3018 53.3881 43.0380 175.3683 100 I 5.1460 8.2421 114.7227 59.0861 41.8363 173.9202 101 V 4.7446 9.0282 123.3780 61.2348 34.2692 174.2306 102 I 4.8772 8.9988 129.1414 60.1507 39.3167 174.6478 103 T 4.9514 9.0916 125.1610 61.6322 70.9978 173.3540 104 A 5.2989 8.9237 128.7142 50.3777 22.0834 174.6478 105 H 5.3648 9.3175 118.5691 53.8985 32.9508 172.9499 106 V 4.2487 8.5964 122.9036 62.3182 31.4580 175.7129 107 L 4.3465 8.8749 128.9808 57.3493 42.4341 177.0327 108 K 4.6367 7.8721 116.8537 56.2291 35.6611 174.2388 109 Q 5.0472 8.5349 119.1086 55.4656 31.4890 174.0961 110 G 4.3488 9.0907 114.9834 45.4717 0.0000 174.4257 111 K 4.1544 8.9436 121.2812 57.2760 32.0967 174.5055 112 T 4.7910 7.8302 106.7214 60.8844 70.9813 173.6303 113 L 5.0784 7.7493 122.0238 52.9307 45.9591 175.0870 114 A 4.9464 8.3358 124.2774 49.9816 22.5859 174.7344 115 F 5.4964 9.5992 120.0909 55.8914 42.6176 174.6136 116 T 5.2741 9.4519 112.1068 60.0810 72.9373 172.4810 117 S 5.1524 9.0698 116.1304 56.6350 66.1437 172.7811 118 V 4.9215 9.0012 126.1523 61.3526 34.7924 173.4521 119 D 5.3189 9.3197 128.1062 52.5990 43.5653 175.1035 120 L 5.2321 8.7965 123.9594 53.4635 43.6959 175.7775 121 T 5.0914 8.9728 113.7666 59.5256 72.8627 172.6840 122 N 4.5905 9.1412 122.9994 53.3828 39.2328 175.1929 123 K 3.6696 8.7783 128.9633 59.8195 32.1435 177.8692 124 A 4.2105 8.3840 122.0269 54.1618 18.6212 178.0400 125 T 4.3021 8.0473 103.4390 60.8025 70.2732 175.8053 126 G 3.9002 9.1167 112.9799 45.7624 0.0000 174.5831 127 K 4.0910 7.7981 124.3227 55.1216 32.8970 181.3496 128 L 4.4155 8.4993 127.1040 54.9320 42.0112 176.3215 129 I 4.7542 9.1524 127.7997 62.8507 38.0820 175.8718 130 A 4.6396 7.4931 120.4205 51.2886 22.6533 174.7883 131 Q 4.7923 8.8132 120.0475 54.5532 32.7932 174.0542 132 G 4.4653 9.2282 112.6624 44.3536 0.0000 171.1432 133 R 5.2330 8.6743 122.0904 54.4475 32.9270 174.4576 134 H 5.2152 9.3931 125.2304 54.7800 33.2372 171.8463 135 T 4.9082 9.0301 122.7553 61.8146 70.7632 173.7143 136 K 4.9110 8.7592 125.4286 54.7320 36.5985 174.4574 137 H 5.2147 9.3899 122.8181 54.7607 31.9034 174.9642 138 L 4.3471 8.0587 124.2707 54.8358 41.6837 176.3336 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 T 8.13 4.28 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 6 Q 8.20 3.88 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 7 S 8.82 4.43 0.00 3.73 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.09 4.19 0.00 1.71 1.78 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.73 4.07 0.00 1.82 1.94 0.00 3.26 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 10 E 8.60 4.21 0.00 1.92 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 2.24 2.18 0.00 11 V 7.80 3.80 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 12 I 7.61 3.94 2.02 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 1.37 0.84 0.93 0.00 0.00 13 K 7.68 4.12 0.00 1.89 1.74 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.34 7.81 14 A 8.01 4.33 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 *16 T 8.06 4.05 4.35 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 1.20 0.00 0.00 17 K 9.01 4.32 0.00 1.58 1.69 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.22 7.81 18 A 7.81 4.04 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 19 R 8.35 4.42 0.00 1.83 1.84 0.00 3.27 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 20 N 7.72 4.77 0.00 3.01 3.07 0.00 0.00 5.93 8.12 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 21 F 8.83 4.25 0.00 3.15 3.13 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 22 E 9.16 4.16 0.00 1.99 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 2.38 2.60 0.00 23 R 7.58 3.94 0.00 1.99 2.32 0.00 2.73 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 24 V 7.06 3.70 1.81 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 0.19 0.00 0.00 0.31 0.00 0.00 25 L 7.56 4.54 0.00 1.77 1.62 0.92 0.82 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 26 G 7.94 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.92 4.24 0.00 1.81 1.89 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.52 7.81 28 I 7.48 4.17 1.85 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 1.57 0.51 0.95 0.00 0.00 29 T 8.35 4.67 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 30 L 8.59 4.25 0.00 1.66 1.59 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.72 4.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.92 0.00 0.00 32 S 7.74 4.85 0.00 3.87 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 33 A 8.35 5.02 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 34 A 8.53 4.28 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 35 P 0.00 4.93 0.00 2.06 2.06 0.00 3.86 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 36 G 9.20 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 37 K 8.01 5.48 0.00 1.80 1.59 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.12 7.81 38 V 8.40 4.88 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 1.04 0.00 0.00 0.94 0.00 0.00 39 I 8.74 4.91 1.86 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 1.20 0.52 0.90 0.00 0.00 40 C 9.16 5.36 0.00 2.80 2.77 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 41 E 8.66 5.27 0.00 1.84 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 2.21 2.06 0.00 *43 K 8.50 4.46 0.00 1.93 1.78 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.58 7.81 44 V 8.93 3.91 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 0.77 0.00 0.00 0.97 0.00 0.00 45 E 9.01 5.00 0.00 1.90 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 0.00 2.28 2.45 0.00 46 E 8.90 3.93 0.00 1.98 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 2.37 2.33 0.00 47 E 8.01 4.04 0.00 2.02 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 2.09 1.86 0.00 48 H 8.43 4.73 0.00 3.28 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.52 4.88 4.26 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 1.32 0.00 0.00 50 N 8.52 5.03 0.00 2.87 2.90 0.00 0.00 7.24 8.76 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 51 A 8.67 3.98 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 52 I 7.87 4.12 1.86 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 1.37 0.72 0.89 0.00 0.00 53 G 8.34 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.85 4.66 4.36 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 1.21 0.00 0.00 55 L 8.56 4.33 0.00 1.78 1.70 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 H 9.50 4.20 0.00 3.44 3.20 0.00 5.84 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 57 G 8.89 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 58 G 8.48 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 59 L 8.04 4.07 0.00 1.83 1.97 0.91 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 60 T 8.14 3.85 4.69 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 1.21 0.00 0.00 61 A 8.16 4.03 1.49 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 62 T 8.12 3.89 4.50 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 0.00 0.00 0.00 1.36 0.00 0.00 63 L 8.65 3.98 0.00 1.85 1.72 0.92 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.14 3.55 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 65 D 8.44 4.13 0.00 2.81 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 66 N 8.28 4.36 0.00 2.85 2.87 0.00 0.00 7.19 7.01 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 67 I 7.74 3.88 1.97 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 1.40 0.60 0.90 0.00 0.00 68 S 8.03 4.32 0.00 3.96 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 69 T 7.69 4.08 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 *71 A 8.00 4.27 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 72 L 7.59 4.06 0.00 1.87 1.87 0.95 0.62 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 73 L 7.75 4.23 0.00 1.65 1.72 0.92 0.82 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 74 C 7.84 4.57 0.00 3.14 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 75 T 7.11 4.64 4.36 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 1.25 0.00 0.00 76 E 8.70 3.89 0.00 1.91 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 2.29 2.36 0.00 77 R 8.15 3.86 0.00 1.87 1.89 0.00 3.30 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 78 G 7.61 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 79 A 7.31 4.31 1.29 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 80 P 0.00 4.20 0.00 2.19 2.19 0.00 3.80 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 1.98 1.96 0.00 81 G 8.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.14 4.44 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 0.96 0.00 0.00 0.93 0.00 0.00 83 S 8.68 4.35 0.00 3.83 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 84 V 8.70 4.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.96 0.00 0.00 85 D 7.55 4.90 0.00 2.62 2.56 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 *87 N 8.51 4.84 0.00 2.88 3.01 0.00 0.00 5.70 7.76 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 88 I 8.19 4.93 1.72 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 1.22 0.61 0.11 0.00 0.00 89 T 8.70 4.54 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 1.21 0.00 0.00 90 Y 8.61 4.85 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *92 S 8.31 4.33 0.00 3.94 4.05 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 93 P 0.00 4.73 0.00 1.97 2.03 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 94 A 8.58 4.89 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 95 K 8.89 4.44 0.00 1.72 1.70 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.25 7.81 96 L 8.18 4.22 0.00 1.60 1.61 0.92 1.15 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 97 G 9.16 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 98 E 7.89 4.16 0.00 2.11 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 2.31 2.30 0.00 99 D 8.70 5.20 0.00 2.64 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 0.00 100 I 8.24 5.15 1.93 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 1.22 0.76 0.92 0.00 0.00 101 V 9.03 4.74 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 1.02 0.00 0.00 0.93 0.00 0.00 102 I 9.00 4.88 1.86 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 1.22 0.51 0.90 0.00 0.00 103 T 9.09 4.95 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 1.17 0.00 0.00 104 A 8.92 5.30 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 0.00 105 H 9.32 5.36 0.00 3.02 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.60 4.25 2.12 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 0.78 0.00 0.00 0.95 0.00 0.00 107 L 8.87 4.35 0.00 1.66 1.72 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.87 4.64 0.00 1.88 1.68 0.00 1.73 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.81 7.81 109 Q 8.53 5.05 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 110 G 9.09 4.35 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 0.00 111 K 8.94 4.15 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 112 T 7.83 4.79 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 1.20 0.00 0.00 113 L 7.75 5.08 0.00 1.54 1.17 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.34 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 9.60 5.50 0.00 2.96 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 0.00 116 T 9.45 5.27 4.38 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 1.24 0.00 0.00 117 S 9.07 5.15 0.00 3.90 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 0.00 118 V 9.00 4.92 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 1.00 0.00 0.00 0.99 0.00 0.00 119 D 9.32 5.32 0.00 2.58 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.80 5.23 0.00 1.54 1.58 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.97 5.09 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 1.27 0.00 0.00 122 N 9.14 4.59 0.00 2.77 2.75 0.00 0.00 6.99 6.37 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 0.00 123 K 8.78 3.67 0.00 1.82 1.85 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.43 7.81 124 A 8.38 4.21 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 0.00 125 T 8.05 4.30 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 0.00 126 G 9.12 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.80 4.09 0.00 1.48 1.71 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.38 1.27 7.81 128 L 8.50 4.42 0.00 1.63 1.62 0.92 1.04 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 0.00 129 I 9.15 4.75 2.01 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 1.13 0.28 0.99 0.00 0.00 130 A 7.49 4.64 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 0.00 131 Q 8.81 4.79 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 132 G 9.23 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.67 5.23 0.00 1.84 1.82 0.00 3.24 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 134 H 9.39 5.22 0.00 3.19 3.12 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 9.03 4.91 4.26 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 1.09 0.00 0.00 136 K 8.76 4.91 0.00 1.48 1.64 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.95 1.09 7.81 137 H 9.39 5.21 0.00 3.15 3.12 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.06 4.35 0.00 1.41 1.42 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.