NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.5404 8.2845 120.7734 54.3282 42.8031 177.6846 5 T 4.2351 9.6358 121.0211 60.9013 70.7467 169.4102 6 E 4.3261 9.0022 122.3422 60.3456 29.8457 180.0825 7 E 3.9648 8.0642 118.2709 61.2005 29.9051 183.3623 8 Q 3.8360 7.8619 118.9146 58.4745 28.7510 178.4803 9 I 3.8807 7.5553 120.2259 64.5204 37.1983 177.8151 10 A 4.0269 7.8947 121.4016 55.7960 18.0940 179.6872 11 E 4.2983 7.9108 117.8005 59.0013 29.4861 179.6766 12 F 4.7636 8.5885 118.3346 60.5455 38.9868 177.9188 13 K 4.3950 8.7188 118.3218 59.5995 31.6879 178.9453 14 E 4.0265 8.3204 118.6611 59.6527 28.8467 179.2669 15 A 4.2177 8.4467 120.5284 55.4570 18.4963 179.4265 16 F 3.1465 8.6056 119.2465 61.0533 39.2566 177.0790 17 S 4.3862 8.0893 111.6765 59.9901 63.0389 175.6595 18 L 3.8903 7.4524 124.0562 57.9270 41.8365 178.2027 19 F 4.3376 6.9153 113.1562 59.3716 40.9167 177.2860 20 D 4.5235 7.8243 119.5682 53.4917 37.2796 176.6177 21 K 4.0118 7.9318 121.9884 58.6965 32.8660 178.2327 22 D 4.4779 7.9997 115.9675 53.1032 39.9107 176.7370 23 G 4.0135 7.9305 108.0618 46.6475 0.0000 174.7480 24 D 4.3852 8.5170 121.0391 54.2400 39.6791 177.1342 25 G 4.3346 9.0017 107.5019 45.1278 0.0000 173.2052 26 T 5.1683 8.6315 109.1003 59.9115 72.4471 173.4364 27 I 4.5485 8.8454 124.7542 60.1419 39.0574 175.7716 28 T 4.7160 9.0849 118.6629 60.4866 70.8615 176.0666 29 T 3.8598 8.5640 112.3365 65.0674 68.3852 176.5055 30 K 4.0273 7.9588 120.6627 59.3120 32.1305 179.0538 31 E 3.9932 8.0813 118.5382 59.0471 29.2975 179.0042 32 L 4.2306 8.1842 120.6216 58.3275 42.2082 179.2845 33 G 3.6683 8.5148 105.9179 48.0477 0.0000 175.6723 34 T 3.8754 8.1179 118.0651 66.4560 68.5872 176.7939 35 V 3.5144 7.9838 120.0473 66.2734 31.5347 177.8055 36 M 4.1163 8.4484 118.6651 58.6998 31.9049 179.0110 37 R 4.7901 8.4231 119.6242 58.8413 30.0145 179.2754 38 S 4.2346 7.9371 112.8985 60.7043 63.1246 175.5553 39 L 4.3809 7.4282 120.2003 54.7405 41.7660 177.3005 40 G 4.0228 7.9315 107.5432 45.1906 0.0000 173.5640 41 Q 4.6434 8.0152 118.7586 54.3922 30.8293 174.3035 42 N 5.4618 8.1064 117.4182 50.8625 38.8214 171.8020 43 P 4.5994 0.0000 0.0000 61.9159 32.7545 177.3475 44 T 4.2260 9.2669 113.3954 61.1095 70.9115 175.4561 45 E 3.9319 8.8314 120.1561 59.9312 29.1494 179.3073 46 A 3.9798 7.9156 120.8764 54.8947 18.5388 179.2581 47 E 3.9179 8.0482 116.6305 59.5969 29.5425 179.6149 48 L 4.0369 7.8930 118.9144 57.8188 41.5724 179.5945 49 Q 3.9805 8.0794 117.9961 59.0800 28.7482 178.6334 50 D 4.3285 8.4659 120.2322 57.5906 40.6371 178.6992 51 M 4.0272 8.2116 118.3805 58.5690 32.2308 178.6317 52 I 3.8202 7.6908 119.8659 64.3520 37.0805 177.9130 53 N 4.4521 8.4176 119.0173 56.5035 38.8543 176.9762 54 E 4.1746 7.9691 119.4091 60.1960 29.7888 182.8698 55 V 4.5155 7.6106 114.3177 61.2458 32.6548 176.1409 56 D 4.8530 7.7242 121.8115 52.6852 39.6427 175.8998 57 A 3.9940 8.8681 127.3688 54.4434 18.7262 178.6168 58 D 4.5576 8.3762 112.0676 52.6865 39.9451 176.6651 59 G 3.9642 7.8941 107.4436 46.8214 0.0000 173.7173 60 N 4.6335 8.8376 115.0365 52.3869 37.1808 176.5053 61 G 3.9305 9.5234 107.8885 46.0424 0.0000 173.0277 62 T 4.8827 7.9312 108.5331 59.8098 72.5057 173.0108 63 I 5.3647 8.5806 121.3517 58.9373 40.0577 175.8850 64 D 5.0548 8.7906 126.8164 52.0442 42.3842 176.7935 65 F 3.5022 8.8879 119.2880 61.1192 39.1118 175.2884 66 P 4.2158 0.0000 0.0000 65.8919 30.5874 178.1138 67 E 4.0028 8.5565 118.4275 59.0268 29.3254 178.9667 68 F 4.2507 8.4549 121.1645 60.9806 39.2101 177.2487 69 L 3.4714 7.5505 118.2102 57.8078 41.5484 179.2252 70 T 3.8825 7.5493 115.3462 66.6604 68.0234 176.5316 71 M 3.8881 7.3007 119.5956 58.7157 31.8247 178.6736 72 M 4.0674 7.3727 116.1468 57.0011 32.1589 177.5273 73 A 4.4723 7.1735 118.8908 51.1829 19.9622 177.0314 74 R 4.0724 7.1094 118.7295 55.4646 30.8050 177.5475 *75 K 4.0102 8.7122 126.8524 55.4579 32.3849 173.8913 *76 M 4.2234 8.9643 121.0319 58.6269 31.3618 179.7547 *77 K 4.1005 8.1241 121.6758 57.6904 32.2592 180.5188 *79 T 4.4223 7.8151 111.8735 60.8020 70.8345 176.4473 80 D 5.0316 7.8219 115.7602 52.7461 41.9408 182.5981 81 S 4.4195 8.0841 117.1874 62.0002 63.3503 175.6179 82 E 4.0199 8.2809 122.5108 59.5348 29.1518 178.7381 83 E 4.1512 8.2968 120.2688 60.0155 29.6374 179.6017 84 E 4.0750 7.8480 117.1088 61.1523 29.6811 181.3880 85 I 4.1857 8.9347 121.8005 64.2359 37.1266 178.4478 86 R 4.1442 8.6517 119.4267 59.6795 29.9205 178.7728 87 E 4.0336 8.6420 118.1059 59.5330 29.4864 179.4210 88 A 4.2360 8.2042 120.7589 55.1381 18.4914 179.2387 89 F 3.0959 8.6220 119.3948 61.3838 39.1058 177.6429 90 R 3.8734 7.5508 116.7149 59.1880 29.9303 178.9449 91 V 3.7119 7.4729 116.7376 65.9049 31.6155 177.8727 92 F 4.1165 8.1434 116.5445 59.7674 40.3276 176.6489 93 D 4.4419 7.8464 120.1725 52.4528 37.7509 176.3992 94 K 3.8360 7.9153 122.4457 58.9217 32.6932 177.8635 95 D 4.5306 8.2297 114.9291 52.5258 39.6829 176.6143 96 G 3.9625 8.1204 107.5129 46.7428 0.0000 174.3225 97 N 4.5288 8.6041 114.9290 53.1929 37.1556 176.0118 98 G 4.0213 9.8179 109.0423 45.3679 0.0000 172.3559 99 Y 5.2549 7.9321 116.4471 56.1736 41.6052 174.9966 100 I 4.4752 9.3102 126.2966 60.7089 38.5045 176.0033 101 S 4.9218 9.3257 122.5261 57.0315 65.1011 175.1401 102 A 3.9924 8.8881 121.7122 55.6186 17.8854 179.8843 103 A 3.9272 7.9163 118.4000 55.3744 18.4500 179.5663 104 E 3.9849 8.1269 116.7443 59.3043 29.5066 179.3398 105 L 4.0194 8.3300 120.7900 58.0932 42.1694 178.7208 106 R 3.8539 8.3290 119.0746 59.9943 29.8517 177.8677 107 H 4.0720 7.9747 115.6242 58.9353 28.6361 177.7789 108 V 3.3366 7.3994 119.6064 66.2339 31.2720 177.7794 109 M 3.9919 7.9268 118.2163 58.7625 31.5619 178.7248 110 T 4.5796 7.8517 116.9558 66.4275 68.5120 176.4710 111 N 4.0184 8.1739 116.5131 55.7440 38.5773 176.7739 112 L 4.2349 7.7364 119.1165 54.7285 42.0693 177.2106 113 G 4.0196 8.7137 106.9225 45.3987 0.0000 174.2612 114 E 4.2952 8.9090 123.5259 56.7228 30.1308 177.7678 115 K 4.7858 8.1682 126.2952 54.4237 33.3802 175.1560 116 L 4.4527 7.4971 116.1447 53.4914 44.3435 176.5903 117 T 4.7258 7.7576 111.5094 59.4927 72.6507 175.5850 118 D 4.3349 8.5064 122.4971 58.3385 40.8926 179.2075 119 E 3.9570 8.3228 118.2437 61.5933 29.4695 180.8070 120 E 4.3414 8.1566 118.0437 58.9043 29.5178 179.5507 121 V 3.5551 7.5394 118.1622 66.0850 31.6844 177.6105 122 D 4.3577 8.2544 118.8059 57.5489 40.7247 178.3243 123 E 3.9433 8.5603 119.9672 59.9459 29.3967 178.9700 124 M 4.1408 8.0239 118.4191 58.2946 31.8563 178.8884 125 I 3.7591 7.7526 120.1097 64.3697 37.0990 178.3485 126 R 3.9172 8.3366 118.6065 59.6618 29.9626 178.1383 127 E 4.1189 8.1147 117.0767 58.9603 29.5966 178.4614 128 A 4.4595 7.7160 118.7056 52.5563 19.2754 177.7340 129 D 4.6088 7.3819 117.0373 52.7868 40.8785 176.1240 130 I 3.8834 8.1205 126.7613 64.2480 37.5008 177.8856 131 D 4.3777 8.4581 117.9061 54.5756 39.4447 177.3698 132 G 3.9250 8.3055 107.9681 45.6581 0.0000 173.6294 133 D 4.4627 8.4414 117.4870 53.3866 39.6307 177.4849 134 G 3.9502 9.2734 108.8923 45.6817 0.0000 172.6939 135 Q 4.5597 8.5969 117.4403 54.2521 33.1297 174.3146 136 V 4.5132 8.6778 118.7537 61.3270 32.2697 175.1334 137 N 5.1173 9.3127 128.5275 51.4204 40.0361 175.0202 138 Y 2.9844 7.9759 119.6049 60.6857 38.6180 177.6818 139 E 3.5511 7.9677 118.9488 59.1010 29.4012 178.9587 140 E 3.9941 8.7383 118.5759 58.9420 29.7929 178.8721 141 F 4.2036 8.1204 120.9329 61.1611 39.4413 177.0317 142 V 3.2634 7.5741 118.3296 66.4932 31.1806 178.1430 143 Q 4.0240 7.6321 118.0576 58.2299 28.2842 178.1579 144 M 4.0980 7.6682 118.3807 57.7040 32.3048 177.0126 145 M 4.3087 7.1648 116.5050 55.1107 33.0362 176.4527 146 T 4.3650 7.0490 107.4672 61.0903 69.3186 174.5669 147 A 4.2325 7.7598 130.2684 52.8202 19.1640 177.7454 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 4 L 8.28 4.54 0.00 1.68 1.54 0.92 0.51 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 5 T 9.64 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 1.21 0.00 0.00 6 E 9.00 4.33 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 7 E 8.06 3.96 0.00 1.97 1.96 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 2.31 1.97 0.00 8 Q 7.86 3.84 0.00 2.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 9 I 7.56 3.88 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.90 1.01 0.00 0.00 10 A 7.89 4.03 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 11 E 7.91 4.30 0.00 1.91 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 2.51 2.27 0.00 12 F 8.59 4.76 0.00 3.54 3.22 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 13 K 8.72 4.40 0.00 2.07 1.98 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.85 7.81 14 E 8.32 4.03 0.00 2.25 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 0.00 2.39 2.62 0.00 15 A 8.45 4.22 1.85 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 0.00 0.00 16 F 8.61 3.15 0.00 3.07 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 17 S 8.09 4.39 0.00 4.13 4.18 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 18 L 7.45 3.89 0.00 1.46 1.60 0.74 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19 F 6.92 4.34 0.00 2.74 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 20 D 7.82 4.52 0.00 2.01 2.45 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 21 K 7.93 4.01 0.00 1.76 1.83 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.61 1.34 7.81 22 D 8.00 4.48 0.00 2.80 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 7.93 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 24 D 8.52 4.39 0.00 2.85 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 9.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.63 5.17 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 1.29 0.00 0.00 27 I 8.85 4.55 1.75 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.46 0.77 0.00 0.00 28 T 9.08 4.72 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 1.22 0.00 0.00 29 T 8.56 3.86 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 K 7.96 4.03 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.53 7.81 31 E 8.08 3.99 0.00 2.16 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 0.00 2.32 2.31 0.00 32 L 8.18 4.23 0.00 1.92 1.82 0.66 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.51 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.12 3.88 4.42 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 1.20 0.00 0.00 35 V 7.98 3.51 2.48 0.00 0.00 0.00 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 0.79 0.00 0.00 36 M 8.45 4.12 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.05 0.00 37 R 8.42 4.79 0.00 2.00 1.98 0.00 3.14 0.00 0.00 3.45 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 38 S 7.94 4.23 0.00 4.01 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 39 L 7.43 4.38 0.00 1.83 1.78 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.93 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.02 4.64 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 42 N 8.11 5.46 0.00 2.61 2.68 0.00 0.00 7.05 7.69 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 43 P 0.00 4.60 0.00 2.09 1.98 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 44 T 9.27 4.23 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 1.26 0.00 0.00 45 E 8.83 3.93 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 46 A 7.92 3.98 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 47 E 8.05 3.92 0.00 2.23 2.01 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 2.33 2.35 0.00 48 L 7.89 4.04 0.00 1.84 1.71 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.08 3.98 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 50 D 8.47 4.33 0.00 2.84 2.71 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 51 M 8.21 4.03 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.57 0.00 52 I 7.69 3.82 1.99 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 1.36 0.66 0.96 0.00 0.00 53 N 8.42 4.45 0.00 2.89 2.83 0.00 0.00 7.14 8.36 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 54 E 7.97 4.17 0.00 2.14 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 2.26 2.20 0.00 55 V 7.61 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 0.94 0.00 0.00 0.91 0.00 0.00 56 D 7.72 4.85 0.00 2.87 2.60 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 57 A 8.87 3.99 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 58 D 8.38 4.56 0.00 2.80 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 59 G 7.89 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 60 N 8.84 4.63 0.00 2.85 2.93 0.00 0.00 6.89 6.93 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 61 G 9.52 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 62 T 7.93 4.88 4.39 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 1.23 0.00 0.00 63 I 8.58 5.36 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.85 1.08 0.00 0.00 64 D 8.79 5.05 0.00 2.87 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 65 F 8.89 3.50 0.00 2.69 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 66 P 0.00 4.22 0.00 2.31 2.33 0.00 3.92 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.09 0.00 67 E 8.56 4.00 0.00 2.34 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 2.34 2.50 0.00 68 F 8.45 4.25 0.00 3.37 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 69 L 7.55 3.47 0.00 1.60 1.33 0.86 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.55 3.88 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 1.14 0.00 0.00 71 M 7.30 3.89 0.00 1.74 1.89 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 72 M 7.37 4.07 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 1.64 0.00 73 A 7.17 4.47 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 74 R 7.11 4.07 0.00 1.80 1.84 0.00 3.15 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 1.61 1.69 0.00 *75 K 8.71 4.01 0.00 1.77 1.62 0.00 1.83 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 1.37 1.03 7.81 *76 M 8.96 4.22 0.00 2.02 2.04 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 2.53 2.13 0.00 *77 K 8.12 4.10 0.00 1.77 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.00 7.81 *79 T 7.82 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 80 D 7.82 5.03 0.00 2.54 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 81 S 8.08 4.42 0.00 4.05 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 0.00 82 E 8.28 4.02 0.00 2.08 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 2.45 2.51 0.00 83 E 8.30 4.15 0.00 2.05 2.01 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 2.42 2.33 0.00 84 E 7.85 4.07 0.00 2.03 1.96 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 2.24 2.22 0.00 85 I 8.93 4.19 2.05 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.48 1.07 0.00 0.00 86 R 8.65 4.14 0.00 2.07 2.00 0.00 3.10 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.97 0.00 87 E 8.64 4.03 0.00 2.25 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 0.00 2.38 2.53 0.00 88 A 8.20 4.24 1.74 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 89 F 8.62 3.10 0.00 3.05 3.26 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 90 R 7.55 3.87 0.00 2.04 1.98 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 91 V 7.47 3.71 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.06 0.00 0.00 92 F 8.14 4.12 0.00 2.65 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 93 D 7.85 4.44 0.00 1.74 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.92 3.84 0.00 1.99 1.81 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.01 7.81 95 D 8.23 4.53 0.00 2.80 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 96 G 8.12 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 97 N 8.60 4.53 0.00 2.98 3.01 0.00 0.00 7.06 6.35 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 98 G 9.82 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.93 5.25 0.00 3.03 2.90 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 0.00 100 I 9.31 4.48 1.97 0.00 0.00 0.48 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 0.30 1.05 0.00 0.00 101 S 9.33 4.92 0.00 3.91 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 0.00 102 A 8.89 3.99 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 0.00 103 A 7.92 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.98 0.00 2.24 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 2.33 2.34 0.00 105 L 8.33 4.02 0.00 1.96 1.92 1.19 1.04 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 0.00 106 R 8.33 3.85 0.00 1.96 2.04 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 107 H 7.97 4.07 0.00 3.34 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.40 3.34 1.88 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 0.47 0.00 0.00 0.20 0.00 0.00 109 M 7.93 3.99 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.95 0.00 110 T 7.85 4.58 4.39 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 1.19 0.00 0.00 111 N 8.17 4.02 0.00 2.73 2.82 0.00 0.00 7.16 8.52 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 0.00 112 L 7.74 4.23 0.00 1.80 1.68 0.94 1.16 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 0.00 113 G 8.71 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.91 4.30 0.00 2.07 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 2.32 2.40 0.00 115 K 8.17 4.79 0.00 1.70 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 0.98 7.81 116 L 7.50 4.45 0.00 1.59 1.39 0.92 0.85 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 0.00 117 T 7.76 4.73 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 1.29 0.00 0.00 118 D 8.51 4.33 0.00 2.74 2.75 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 0.00 119 E 8.32 3.96 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 0.00 120 E 8.16 4.34 0.00 2.18 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 2.33 2.32 0.00 121 V 7.54 3.56 2.26 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 1.08 0.00 0.00 1.04 0.00 0.00 122 D 8.25 4.36 0.00 2.89 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 0.00 123 E 8.56 3.94 0.00 2.24 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 0.00 2.32 2.38 0.00 124 M 8.02 4.14 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.61 0.00 125 I 7.75 3.76 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.23 0.99 0.00 0.00 126 R 8.34 3.92 0.00 1.88 2.18 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 127 E 8.11 4.12 0.00 2.11 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 2.34 2.33 0.00 128 A 7.72 4.46 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 D 7.38 4.61 0.00 2.84 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 0.00 130 I 8.12 3.88 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.65 0.91 0.00 0.00 131 D 8.46 4.38 0.00 2.79 2.83 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 0.00 0.00 0.00 132 G 8.31 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 0.00 133 D 8.44 4.46 0.00 2.76 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 0.00 134 G 9.27 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.60 4.56 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 136 V 8.68 4.51 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 1.22 0.00 0.00 1.04 0.00 0.00 137 N 9.31 5.12 0.00 2.82 3.04 0.00 0.00 6.46 7.47 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 0.00 138 Y 7.98 2.98 0.00 1.87 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 0.00 139 E 7.97 3.55 0.00 1.94 1.88 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 2.39 2.32 0.00 140 E 8.74 3.99 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 141 F 8.12 4.20 0.00 3.27 3.18 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 0.00 142 V 7.57 3.26 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 0.81 0.00 0.00 0.22 0.00 0.00 143 Q 7.63 4.02 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 144 M 7.67 4.10 0.00 1.86 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 145 M 7.16 4.31 0.00 1.66 1.72 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.62 0.00 146 T 7.05 4.36 4.18 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 1.20 0.00 0.00 147 A 7.76 4.23 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.