NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6788 8.4244 119.2019 52.6743 40.0144 173.6901 3 T 4.5041 7.2516 111.2806 60.7836 70.8899 172.1664 4 L 4.5597 9.3102 129.1305 54.3079 44.6389 175.8043 5 T 4.5988 8.1912 116.5476 62.1021 71.3448 173.0759 6 V 4.1350 9.0203 130.3515 62.1969 33.0421 175.4039 7 K 4.8608 8.7037 131.8403 54.7298 32.8966 172.2834 8 M 4.9185 8.8731 125.2006 52.8804 34.5409 174.9943 9 N 5.5317 8.8442 119.3575 51.0845 43.3539 173.7185 9A D 4.4495 8.9351 122.1153 54.6297 42.1867 175.1702 9B A 4.8502 8.6319 125.2968 50.6040 20.5243 176.3876 9C L 4.8677 8.3514 122.1198 52.4378 45.6056 177.6755 9D S 4.3752 8.8029 113.3493 59.8138 63.1098 174.7770 9E S 4.6801 9.1058 114.5195 58.0321 65.2727 171.4363 10 G 4.1027 6.3284 111.7873 44.7837 0.0000 176.6231 11 T 5.0493 8.6459 120.1947 61.3419 71.8478 173.2343 12 G 4.2839 8.5740 112.7676 45.7145 0.0000 174.4114 13 E 4.2255 8.7653 123.3192 56.2097 30.7419 175.5538 14 N 5.1771 8.9848 121.5814 52.8200 39.8428 174.3327 15 I 5.1788 8.0433 118.6560 60.4892 39.2462 174.2571 16 G 4.2004 8.8544 108.8737 44.4831 0.0000 172.6091 17 E 5.2034 8.5683 116.6514 55.4411 34.0203 174.3986 18 I 5.0253 9.1314 121.1696 59.7642 40.4291 174.7913 19 T 4.8368 8.8589 118.4499 60.4234 70.6807 173.8132 20 V 4.5643 8.3436 127.1194 61.2426 33.4867 174.7305 21 S 4.9797 8.7293 121.2593 56.6197 67.1495 172.3457 22 E 4.9789 8.5701 119.8988 55.1707 31.6439 175.4912 23 T 4.9947 8.7098 112.7980 58.9335 72.0945 173.1283 24 P 4.1554 0.0000 0.0000 64.6914 30.9838 176.9543 25 Y 4.4460 9.1015 114.4021 57.4016 39.2832 175.9055 26 G 4.1113 7.0942 106.8988 43.9822 0.0000 172.3008 27 L 4.6330 8.3415 119.9925 54.4221 43.3358 175.9359 28 L 5.1209 8.9616 125.1823 53.4400 44.8256 175.0489 29 F 4.8562 10.0024 126.5859 56.5969 40.5657 175.3637 30 T 4.7907 8.7805 123.1561 61.2615 69.4466 172.8986 31 P 4.8854 0.0000 0.0000 62.2119 32.8638 175.9808 32 H 5.0406 8.7595 119.4471 55.1186 29.2287 171.3317 33 L 5.3350 8.1613 121.8525 53.5834 45.5218 176.2977 34 N 4.7264 9.0229 116.6009 52.0321 41.2574 174.5804 35 G 3.9248 8.6354 104.5039 46.6837 0.0000 173.5342 36 L 4.5553 7.6064 118.7085 52.2440 44.1399 176.2694 37 T 4.3225 7.7037 110.5091 60.4578 69.6240 173.0078 38 P 4.4652 0.0000 0.0000 63.9816 32.3832 175.0159 39 G 3.7432 8.2097 105.9466 44.1981 0.0000 171.7596 40 I 4.8682 8.3167 119.6556 60.2486 39.2363 174.7189 41 H 5.1385 9.0874 123.9241 53.4013 32.2880 173.7108 42 G 4.0328 9.1601 110.2642 46.7318 0.0000 172.3275 43 F 5.9588 8.5347 125.3199 55.8943 42.4703 172.8453 44 H 4.7294 8.3209 121.9610 53.9528 33.9629 172.5257 45 V 4.7505 8.3734 120.7670 62.0202 32.3796 174.8557 46 H 5.1758 8.5891 124.6077 54.5838 30.6190 175.1868 47 T 4.0639 8.9948 118.2598 67.1291 68.8801 174.3301 48 N 4.7842 8.1482 117.5633 51.5152 39.8286 173.2979 49 P 4.6754 0.0000 0.0000 62.9672 31.4901 176.2710 50 S 4.6928 7.8812 110.8650 57.0100 65.8480 174.2488 51 C 5.0206 8.5513 121.2855 56.8397 41.1659 173.7936 52 M 4.6558 7.8008 120.5353 54.4803 32.7453 174.3992 53 P 4.9110 0.0000 0.0000 62.8454 32.4965 175.8239 53A G 4.3059 8.7783 107.8114 44.8639 0.0000 171.5574 53B M 4.9622 8.5962 122.3842 54.9313 33.6275 177.1493 53C K 4.1234 9.2358 122.2641 55.7507 36.2200 175.8476 53D D 4.2357 9.8531 124.4759 53.2575 37.1752 169.7978 53E G 3.9272 9.0048 105.7132 47.1630 0.0000 174.9589 53F K 4.6506 7.5091 119.7201 53.6507 36.7631 177.3295 53G E 4.5941 8.7880 122.8160 55.9343 30.7702 176.5340 53H V 4.2523 9.2103 125.3085 60.3169 33.9241 172.7712 54 P 4.4641 0.0000 0.0000 63.9615 32.4776 176.3674 55 A 4.3433 8.8617 124.1089 51.6740 16.6826 178.6446 56 L 4.0024 7.4772 122.0821 59.9423 42.1806 178.9108 57 M 4.2260 7.9632 116.2883 56.9612 32.0411 177.1225 58 A 4.1609 7.5191 121.8775 52.2900 19.0858 178.8467 59 G 4.1229 7.8940 104.3660 44.8565 0.0000 172.1491 60 G 4.0177 8.0877 106.3316 45.5169 0.0000 172.8420 61 H 4.7545 8.3527 116.5108 54.9873 29.9365 175.3112 62 L 3.7499 8.8190 124.6539 55.9297 43.1148 175.4262 63 D 5.2508 8.4080 126.1474 51.2928 41.3367 173.6588 64 P 4.2611 0.0000 0.0000 64.8530 31.8346 177.1553 65 E 4.3615 8.3394 117.7161 55.9072 29.4636 176.7281 66 K 4.0140 7.8272 118.9264 55.5703 29.4898 180.0186 67 T 3.9254 8.2744 112.2851 63.8073 69.0989 176.0965 68 G 4.2556 8.8094 107.9637 45.3961 0.0000 173.0434 68A K 4.4568 7.5102 118.0820 54.4289 35.3981 175.2057 69 H 4.6044 9.4050 123.0158 54.8565 29.2766 174.5006 70 L 4.6706 7.3262 126.9540 53.0359 41.4034 178.1908 71 G 3.3312 7.7195 108.6532 43.9071 0.0000 173.1006 72 P 3.9234 0.0000 0.0000 62.9021 31.3357 176.2408 73 Y 4.7038 6.8685 115.0601 58.2776 40.1208 175.2073 74 N 4.7764 7.1901 117.4507 53.0257 40.0575 173.4859 75 D 4.7066 8.4425 116.5110 54.7324 43.4870 177.6132 76 K 4.4512 8.6590 119.8580 54.1907 31.4675 181.1014 77 G 4.2177 7.2926 107.1461 44.3764 0.0000 172.5716 78 H 4.0916 9.2022 116.1037 55.8484 28.7489 176.6055 79 L 3.9789 8.6458 126.5361 57.6314 42.3369 177.5931 80 G 3.7029 8.1857 106.2939 45.9742 0.0000 172.5963 81 D 4.8012 7.9909 121.3645 54.2422 41.3520 175.9980 82 L 4.3299 7.6889 123.2909 52.1039 43.9710 174.9895 83 P 4.4698 0.0000 0.0000 62.1427 32.1358 177.0041 84 G 3.9130 8.7891 110.0602 46.6428 0.0000 173.0295 85 L 4.2152 9.1229 127.0672 54.6732 43.3546 175.6741 86 V 4.2626 8.4384 126.6847 61.8610 32.5889 174.8377 87 V 4.4581 8.6471 129.1382 60.9820 33.4988 175.4151 88 N 4.8232 9.7094 126.5529 52.6982 39.1119 176.0320 89 A 4.0554 8.4811 122.3700 54.7183 18.4977 178.1103 90 D 4.6764 8.1036 114.0311 53.1057 39.8154 177.5367 91 G 4.3772 8.3085 107.4496 46.1743 0.0000 173.8413 92 T 4.7440 7.8342 116.2949 61.9397 70.2378 173.7537 93 A 5.2278 8.2559 126.9077 50.7778 20.7842 177.0012 94 T 5.2397 8.3759 109.8573 60.5851 70.8378 173.6982 95 Y 4.0638 8.1951 123.2290 57.0627 38.9361 173.7086 96 P 4.6440 0.0000 0.0000 62.6450 32.4414 175.7522 97 L 4.8721 9.1010 123.2941 52.8954 44.9194 175.0189 98 L 5.0790 8.8425 125.6453 53.6430 43.3812 175.7096 99 A 4.5747 9.1773 129.4117 49.5899 19.3353 174.9680 100 P 4.5730 0.0000 0.0000 65.7677 31.8648 178.2763 101 R 4.1794 8.2486 114.3355 58.3976 30.3935 177.4049 102 L 4.0889 7.5112 116.7847 54.6459 42.3240 177.9356 93 K 5.2278 8.3059 123.5078 54.4778 34.7842 175.8012 94 S 5.3597 8.5359 111.9573 57.0851 64.8378 173.5982 95 L 3.8538 8.2351 124.7290 54.2627 43.5361 175.4086 96 S 4.6940 8.6077 122.4456 57.6450 64.1414 173.0522 97 E 4.8821 9.3610 121.6941 54.3954 32.4195 174.0189 98 L 5.0790 8.8425 125.6453 53.6430 43.3812 175.7096 99 K 4.5747 9.2273 126.0117 53.2899 33.3353 173.7680 100 G 4.1130 8.8116 108.0271 47.5677 0.0000 175.8763 101 H 4.5694 8.4386 112.0355 57.3976 28.4935 175.2049 102 S 4.2189 7.6612 110.6847 57.8459 63.7240 174.9356 115 L 4.8710 8.8249 121.0242 53.3460 44.0279 175.2571 116 M 4.9708 9.3076 123.2050 53.7318 35.7403 174.1671 117 I 4.9584 8.7458 125.8894 60.1082 40.1343 175.2627 118 H 5.1819 9.1243 125.1385 54.6162 29.9438 175.8148 119 K 4.0458 9.2598 121.7200 59.5862 32.7124 177.1604 120 G 3.9051 8.7331 107.5067 44.9537 0.0000 172.8368 121 G 4.1793 8.1936 111.9728 45.0610 0.0000 173.1930 122 D 4.6385 8.5191 120.9815 54.8800 43.2504 175.3566 123 N 4.3505 8.6452 123.6768 52.1607 37.7368 174.6688 124 Y 3.6631 8.8988 116.1701 58.8754 35.9967 169.0242 125 S 4.9172 7.5853 110.2054 58.3787 65.0033 174.1609 *130 D 4.7344 8.5151 123.5667 53.6318 42.3569 175.2085 131 K 4.7231 7.7008 118.4230 53.8321 35.6055 174.5283 132 P 4.2728 0.0000 0.0000 65.6319 31.8066 176.5664 133 A 4.1423 7.6447 123.6041 50.0466 19.2805 175.5249 134 P 4.5421 0.0000 0.0000 63.2316 31.7597 176.1062 135 L 3.4610 9.5743 117.9031 55.9836 39.3121 176.7548 136 G 4.4622 8.5730 105.5237 45.2560 0.0000 175.3991 137 G 3.7092 8.1804 107.1075 46.2276 0.0000 175.6134 138 G 3.6586 7.7904 110.8399 46.1783 0.0000 175.5649 139 G 3.7456 7.9973 107.4010 44.9981 0.0000 172.6657 140 A 4.2509 8.4683 122.3060 52.6910 19.9707 177.1105 141 R 4.5441 8.4495 118.1513 55.3656 30.8604 176.1488 142 F 4.5635 9.4103 126.9134 59.7101 41.0576 175.3671 143 A 5.0878 7.8991 118.5010 50.3985 22.8770 175.2813 144 C 5.4319 8.4167 119.5340 54.2074 49.6385 173.1553 145 G 4.4010 8.1047 104.9652 45.2370 0.0000 173.1507 146 V 4.1402 8.6488 126.4056 62.9549 32.6458 175.8443 147 I 4.1679 8.2353 126.0394 61.5217 36.8664 175.6677 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 2 N 8.42 4.68 0.00 2.66 2.83 0.00 0.00 6.74 6.82 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 3 T 7.25 4.50 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 1.19 0.00 0.00 4 L 9.31 4.56 0.00 1.63 1.55 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.19 4.60 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 6 V 9.02 4.13 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 0.85 0.00 0.00 1.02 0.00 0.00 7 K 8.70 4.86 0.00 1.58 1.58 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.32 1.03 7.81 8 M 8.87 4.92 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 9 N 8.84 5.53 0.00 2.57 2.61 0.00 0.00 6.79 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9A D 8.94 4.45 0.00 2.40 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 0.00 0.00 0.00 9B A 8.63 4.85 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9C L 8.35 4.87 0.00 1.55 1.52 0.87 0.47 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 9D S 8.80 4.38 0.00 3.97 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 9E S 9.11 4.68 0.00 3.96 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 10 G 6.33 4.10 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 0.00 0.00 0.00 11 T 8.65 5.05 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 1.18 0.00 0.00 12 G 8.57 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.77 4.23 0.00 2.05 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 2.58 2.30 0.00 14 N 8.98 5.18 0.00 2.76 2.77 0.00 0.00 7.15 7.94 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 15 I 8.04 5.18 2.17 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 1.29 0.75 0.98 0.00 0.00 16 G 8.85 4.20 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 0.00 17 E 8.57 5.20 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.46 0.00 18 I 9.13 5.03 2.06 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 1.32 0.90 1.19 0.00 0.00 19 T 8.86 4.84 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 20 V 8.34 4.56 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 0.36 0.00 0.00 0.67 0.00 0.00 21 S 8.73 4.98 0.00 3.84 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 22 E 8.57 4.98 0.00 1.91 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 2.28 2.25 0.00 23 T 8.71 4.99 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 1.29 0.00 0.00 24 P 0.00 4.16 0.00 1.07 1.77 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 25 Y 9.10 4.45 0.00 3.13 3.03 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 26 G 7.09 4.11 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 0.00 0.00 0.00 27 L 8.34 4.63 0.00 1.76 1.47 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.96 5.12 0.00 1.72 1.48 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 F 10.00 4.86 0.00 3.21 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 30 T 8.78 4.79 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 1.22 0.00 0.00 31 P 0.00 4.89 0.00 2.04 1.97 0.00 3.76 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 1.90 1.94 0.00 32 H 8.76 5.04 0.00 3.22 3.28 0.00 5.75 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 33 L 8.16 5.33 0.00 1.61 1.63 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.02 4.73 0.00 2.79 2.84 0.00 0.00 7.31 6.51 0.00 0.00 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 G 8.64 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.61 4.56 0.00 1.58 1.27 0.85 0.49 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 37 T 7.70 4.32 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 1.05 0.00 0.00 38 P 0.00 4.47 0.00 2.03 2.00 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 39 G 8.21 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 40 I 8.32 4.87 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.00 0.89 0.00 0.00 41 H 9.09 5.14 0.00 3.03 3.27 0.00 5.82 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 42 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 43 F 8.53 5.96 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.32 4.73 0.00 2.96 3.06 0.00 5.86 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.37 4.75 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 1.40 0.00 0.00 0.84 0.00 0.00 46 H 8.59 5.18 0.00 3.05 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.99 4.06 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 1.24 0.00 0.00 48 N 8.15 4.78 0.00 2.77 2.76 0.00 0.00 7.19 7.62 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 49 P 0.00 4.68 0.00 2.04 2.06 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 50 S 7.88 4.69 0.00 3.79 3.63 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 51 C 8.55 5.02 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.80 4.66 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 53 P 0.00 4.91 0.00 2.02 2.01 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.25 0.00 53A G 8.78 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53B M 8.60 4.96 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 53C K 9.24 4.12 0.00 1.64 1.62 0.00 1.96 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.22 1.19 7.81 53D D 9.85 4.24 0.00 2.82 2.61 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 53E G 9.00 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 53F K 7.51 4.65 0.00 1.41 1.62 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.28 1.28 7.81 53G E 8.79 4.59 0.00 1.85 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 2.31 2.33 0.00 53H V 9.21 4.25 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 0.99 0.00 0.00 0.94 0.00 0.00 54 P 0.00 4.46 0.00 2.10 2.11 0.00 3.80 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 55 A 8.86 4.34 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 56 L 7.48 4.00 0.00 2.01 1.79 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 M 7.96 4.23 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.79 0.00 58 A 7.52 4.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.89 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 60 G 8.09 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 61 H 8.35 4.75 0.00 2.75 3.09 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.82 3.75 0.00 1.59 1.50 0.70 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.41 5.25 0.00 2.73 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.26 0.00 2.07 2.10 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 65 E 8.34 4.36 0.00 1.95 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 2.27 2.29 0.00 66 K 7.83 4.01 0.00 1.88 1.68 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.23 7.81 67 T 8.27 3.93 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 1.21 0.00 0.00 68 G 8.81 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 0.00 0.00 0.00 68A K 7.51 4.46 0.00 1.80 1.61 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.56 7.81 69 H 9.40 4.60 0.00 2.99 3.43 0.00 5.72 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.33 4.67 0.00 1.54 1.55 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.72 3.33 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 72 P 0.00 3.92 0.00 1.54 1.68 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.04 0.00 73 Y 6.87 4.70 0.00 2.96 2.93 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 74 N 7.19 4.78 0.00 2.93 2.69 0.00 0.00 6.93 8.35 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 75 D 8.44 4.71 0.00 2.68 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 76 K 8.66 4.45 0.00 1.77 1.67 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.25 7.81 77 G 7.29 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 9.20 4.09 0.00 3.53 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.65 3.98 0.00 1.57 1.81 0.91 1.08 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 80 G 8.19 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 7.99 4.80 0.00 2.69 2.39 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 82 L 7.69 4.33 0.00 1.27 1.22 0.64 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.47 0.00 2.09 2.14 0.00 3.69 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.95 0.00 84 G 8.79 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 85 L 9.12 4.22 0.00 1.39 1.47 0.53 0.45 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 86 V 8.44 4.26 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 0.63 0.00 0.00 0.81 0.00 0.00 87 V 8.65 4.46 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 0.95 0.00 0.00 0.82 0.00 0.00 88 N 9.71 4.82 0.00 2.89 2.72 0.00 0.00 6.45 7.23 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 89 A 8.48 4.06 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.10 4.68 0.00 2.78 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 91 G 8.31 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 0.00 0.00 0.00 0.00 92 T 7.83 4.74 4.48 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 0.00 0.00 0.00 1.20 0.00 0.00 93 A 8.26 5.23 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 94 T 8.38 5.24 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 95 Y 8.20 4.06 0.00 2.91 2.96 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 96 P 0.00 4.64 0.00 1.77 1.91 0.00 3.13 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 97 L 9.10 4.87 0.00 1.78 1.71 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.84 5.08 0.00 1.70 1.67 1.10 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 A 9.18 4.57 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 0.00 100 P 0.00 4.57 0.00 2.18 2.27 0.00 4.05 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 101 R 8.25 4.18 0.00 1.78 2.03 0.00 3.24 0.00 0.00 4.01 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 102 L 7.51 4.09 0.00 1.86 1.65 1.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.31 5.23 0.00 1.49 1.59 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.32 7.81 94 S 8.54 5.36 0.00 3.96 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 95 L 8.24 3.85 0.00 1.50 1.60 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.61 4.69 0.00 3.37 3.84 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 97 E 9.36 4.88 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 98 L 8.84 5.08 0.00 1.70 1.67 1.10 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.23 4.57 0.00 1.82 1.55 0.00 0.61 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.38 7.81 100 G 8.81 4.11 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 0.00 0.00 0.00 101 H 8.44 4.57 0.00 3.21 3.43 0.00 8.62 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.66 4.22 0.00 4.13 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 0.00 115 L 8.82 4.87 0.00 1.76 1.81 1.24 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 116 M 9.31 4.97 0.00 1.98 1.63 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 117 I 8.75 4.96 1.99 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 1.32 0.76 0.94 0.00 0.00 118 H 9.12 5.18 0.00 3.09 3.56 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.26 4.05 0.00 1.99 1.88 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.46 7.81 120 G 8.73 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 0.00 121 G 8.19 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 0.00 0.00 0.00 122 D 8.52 4.64 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 123 N 8.65 4.35 0.00 2.81 2.93 0.00 0.00 6.23 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 0.00 124 Y 8.90 3.66 0.00 3.21 2.93 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 0.00 125 S 7.59 4.92 0.00 3.85 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 *130 D 8.52 4.73 0.00 2.78 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 0.00 131 K 7.70 4.72 0.00 1.64 1.65 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.35 7.81 132 P 0.00 4.27 0.00 2.17 2.14 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 133 A 7.64 4.14 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 0.00 134 P 0.00 4.54 0.00 2.21 2.18 0.00 4.01 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 135 L 9.57 3.46 0.00 1.86 1.61 0.87 0.96 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 0.00 136 G 8.57 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.18 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 0.00 0.00 0.00 138 G 7.79 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 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 0.00 140 A 8.47 4.25 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 0.00 141 R 8.45 4.54 0.00 1.69 1.82 0.00 3.38 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 142 F 9.41 4.56 0.00 3.18 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.90 5.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 C 8.42 5.43 0.00 2.93 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 0.00 145 G 8.10 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.65 4.14 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 0.87 0.00 0.00 0.99 0.00 0.00 147 I 8.24 4.17 2.09 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 1.28 0.87 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.