NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5363 8.4045 120.3692 55.5574 33.4515 175.2691 2 Q 4.6495 8.2829 124.6302 52.3602 31.1216 171.6176 3 G 3.6352 8.5955 105.4787 48.3370 0.0000 175.7349 4 K 3.8396 7.9594 120.4810 60.0415 32.3892 178.8554 5 D 4.0273 7.6776 119.4294 56.9110 40.5903 178.5616 6 I 3.6197 7.2785 118.6090 63.7510 37.9127 177.9205 7 I 3.5547 7.6028 120.9834 64.1717 36.6787 178.2653 8 L 4.0136 7.6736 118.9700 57.5546 41.7168 179.4271 9 G 3.7884 8.0447 105.6349 48.0588 0.0000 175.7595 10 I 3.7618 7.7032 121.4673 63.6096 37.1875 177.6353 11 L 4.5743 7.7717 117.1062 54.9300 41.7245 178.4537 12 S 4.2476 7.7562 115.8736 61.0425 63.0410 175.2876 13 K 4.4160 7.9005 118.9551 56.3933 33.1475 176.4966 14 K 4.6681 7.5351 116.4680 54.4673 36.0652 175.4199 15 E 4.4326 8.6819 122.5194 56.7166 30.2552 176.5873 16 R 4.9029 9.0244 122.2983 54.1581 34.9401 175.1514 17 S 5.2466 8.2768 116.8548 57.8323 64.2061 175.2490 18 G 3.8424 9.0436 107.6584 48.3625 0.0000 175.3436 19 Y 4.4691 7.7528 118.3988 61.1963 37.9040 178.4419 20 E 4.0218 8.5329 120.0178 59.2676 29.6615 178.8372 21 I 3.6753 8.0654 120.0700 64.4069 37.1902 177.9123 22 N 4.2061 8.4726 118.1673 56.5503 38.6834 176.3003 23 D 4.3317 8.4088 119.6233 57.4298 41.2636 178.2936 24 I 3.7536 7.9897 120.3716 64.3474 36.9380 178.2373 25 L 3.8347 7.8716 119.7997 58.3797 42.0497 178.7419 26 Q 4.1551 8.4323 117.0343 58.2502 28.7706 177.3696 27 N 4.8774 8.4914 115.3021 53.2246 40.2724 176.0294 28 Q 4.5831 8.0925 117.2976 57.0808 30.8358 176.7940 29 L 4.4057 7.9400 117.7464 54.2848 41.8442 178.3569 30 S 5.0188 8.2324 113.7203 60.0854 63.1200 174.8070 31 Y 5.0800 8.3923 117.9663 58.1362 38.1430 175.7939 32 F 4.7773 7.3108 112.9075 56.1505 39.3752 174.3962 33 Y 4.1555 7.0891 122.9858 56.4742 39.7592 173.1016 34 D 4.5393 8.1718 127.0270 52.5765 43.0871 174.6300 35 G 4.1619 8.2604 120.7090 44.9068 0.0000 171.0851 36 T 4.3541 8.3424 114.7631 60.8159 70.4351 175.1317 *37 Y 4.0212 8.2832 121.8758 58.5901 37.2362 176.4687 38 G 4.0120 8.7301 109.9852 47.1227 0.0000 175.4872 39 M 4.1515 8.0935 120.9709 57.9738 32.3189 177.0441 40 I 3.4247 7.4232 118.2883 64.2085 38.1186 177.3971 41 Y 4.1310 7.3519 116.8575 60.7693 37.8875 176.4016 42 P 4.3450 0.0000 0.0000 65.8205 31.3477 178.8638 43 T 3.9243 7.8029 114.3125 66.3613 68.3740 176.8893 44 L 3.8035 8.0914 121.3121 57.7574 41.5746 179.7309 45 R 3.9773 8.0233 117.9980 59.2193 29.9759 179.1022 46 K 3.9826 8.0932 119.3957 59.4178 32.1467 178.8710 47 L 4.0051 8.1386 119.5368 57.6361 41.4637 179.2342 48 E 4.3278 8.2390 120.6318 58.6986 29.4438 178.6109 49 K 3.9318 7.9188 118.3787 59.6019 32.3207 177.5584 50 D 4.7204 8.3195 116.2373 53.9272 40.8189 177.0321 51 G 3.9416 7.8457 107.3752 46.1711 0.0000 175.0240 52 K 4.4167 8.2657 121.4290 57.6761 33.3142 176.6870 53 I 5.2671 7.6538 112.2126 59.4050 41.6389 174.1685 54 T 4.7798 9.1614 113.2522 59.8981 71.7313 172.9394 55 K 4.7902 8.5245 123.5586 54.5287 34.9743 174.5155 56 E 4.5794 8.9254 128.3627 54.2786 32.4861 174.4380 57 V 4.5139 8.3023 126.6223 61.4015 33.1172 174.7394 58 V 4.2040 8.8972 129.3670 61.6173 32.9514 174.3741 59 I 4.7995 8.3112 128.7327 59.8356 38.8475 175.3270 60 Q 4.5796 8.3766 124.0669 53.6046 32.5836 174.4130 61 D 4.3567 8.7752 121.3772 55.9955 41.1923 176.8280 62 G 3.9762 8.9848 110.8029 46.0668 0.0000 173.1148 63 R 4.7493 7.5278 116.6788 53.0277 33.8143 173.7697 64 P 4.4506 0.0000 0.0000 62.3682 32.0091 176.2813 65 N 4.6217 8.5921 118.1874 53.8795 39.5020 174.1341 66 K 4.3753 8.7078 122.8163 54.6492 35.3773 174.2986 67 N 5.0632 8.4023 124.3633 51.8867 40.6928 173.6581 68 I 4.6475 8.5487 125.1499 59.7204 39.7547 174.2264 69 Y 5.3024 9.0765 124.6608 56.2062 40.9423 174.7145 70 A 5.0193 8.8067 123.9204 49.8961 22.6412 175.5418 71 I 4.2723 8.6079 122.4079 61.4116 39.1637 175.0967 72 T 4.5267 8.4013 117.6954 60.0087 71.5933 175.2865 73 E 3.9519 8.9333 120.8542 59.8357 29.3845 179.9163 74 S 4.2339 8.1443 113.6607 61.3446 63.0543 176.5477 75 G 3.6020 8.0499 109.3743 47.5453 0.0000 175.8740 76 K 4.0119 8.3357 121.1610 58.9591 31.9838 179.2310 77 K 3.8669 8.2247 120.0545 59.6345 32.0295 178.4537 78 E 3.9369 8.2702 119.5107 58.9744 29.4555 178.5167 79 L 3.9311 8.0399 120.2284 58.1215 42.0029 178.6609 80 A 4.0004 7.9861 119.4854 55.3673 18.6103 179.4334 81 S 4.2187 8.3037 113.6311 62.0098 62.9636 176.2924 82 Y 3.9831 8.2408 122.2057 60.7200 38.3439 177.8987 83 L 4.1776 8.2033 118.0137 56.5632 41.8977 178.2912 84 Q 4.3012 7.7121 116.9929 55.5286 29.2960 176.0210 85 S 4.3521 6.8414 114.7902 57.1660 64.0358 173.7723 86 D 4.3765 8.1700 121.0278 54.0490 41.1182 176.8507 87 V 3.6340 8.0577 122.9484 62.8890 32.1834 175.5566 88 N 4.7713 8.3828 123.9668 52.1001 39.7241 174.7682 89 D 4.5340 8.3886 120.3508 54.1142 41.5422 176.6429 90 E 4.1837 8.6080 120.5763 56.3939 30.3838 176.0709 91 I 4.4576 8.1356 121.5907 59.6367 39.0004 175.2797 92 F 4.7734 8.5448 126.6152 56.7845 41.8402 173.5673 93 K 4.0290 8.0451 126.7583 54.0312 34.6769 176.2276 94 S 4.3744 7.8146 119.1792 56.3146 63.8326 173.6734 95 D 4.3120 8.5262 129.4657 57.1556 41.1607 177.3929 96 F 4.2240 8.3268 120.7847 61.6340 39.3802 176.9667 97 L 3.7309 8.0720 118.3233 57.8132 41.3383 179.1030 98 M 4.1000 7.9927 118.0868 58.8739 31.6405 178.4913 99 R 3.9880 8.1044 118.0187 59.3621 30.2523 179.1274 100 L 3.9300 7.5115 118.2756 57.5944 41.3362 179.2545 101 F 3.7822 8.4302 120.1389 60.4137 39.2731 176.3811 102 F 5.0344 8.2197 115.5000 56.9766 40.2976 176.4362 103 G 4.2031 7.7768 108.6931 45.0423 0.0000 177.3400 104 N 4.1917 8.2535 118.2719 54.9924 38.1009 178.7943 105 S 4.3013 8.0188 112.2493 59.9702 63.6951 174.0669 106 L 3.7860 7.2305 120.5770 55.0439 41.6160 177.5384 107 N 4.7279 8.7530 124.0710 52.9291 39.5412 176.2171 108 D 4.4153 8.5408 122.5021 58.6199 39.7744 177.9754 109 D 4.5397 8.0795 119.7106 57.4699 40.9869 178.3928 110 D 4.3794 9.1645 119.7484 57.2585 40.7811 178.7921 111 L 3.9566 8.0274 120.7300 58.1611 42.1368 178.4506 112 E 3.9501 8.4021 119.5187 59.4548 29.4211 178.6561 113 Q 3.9695 8.3248 119.5211 59.0937 29.1568 178.0556 114 L 4.0970 8.0751 120.0387 57.9533 41.6260 179.6138 115 I 3.8871 8.0984 119.6731 64.5718 37.0900 178.7086 116 R 3.9074 8.2044 118.9350 59.3923 29.8760 179.0535 117 E 3.9652 8.4967 118.6113 59.2401 29.3959 179.0493 118 E 3.7005 8.1285 119.5107 59.0086 29.4941 178.7559 119 I 3.6106 7.8190 120.1242 64.5432 37.1531 178.2103 120 E 4.0838 8.2528 119.2483 59.4502 29.2384 179.6725 121 R 3.8526 7.8112 118.1366 59.1743 30.0206 179.2835 122 K 3.7810 8.0975 118.3256 59.2903 31.9049 179.3062 123 E 3.8784 8.2133 119.0770 59.2703 29.3823 178.9325 124 E 3.8446 8.2121 119.3793 59.2769 29.5970 179.1260 125 K 3.8639 7.8342 118.4739 59.2094 31.9940 179.4404 126 I 3.7280 7.6848 120.3755 64.1771 36.9863 178.2127 127 K 3.8100 8.1390 120.5968 59.5831 32.0364 178.7344 128 R 3.7866 7.9061 118.7606 59.3766 29.9825 178.2562 129 L 3.9273 8.2015 120.4359 58.1727 42.0953 179.0346 130 S 4.0977 8.5833 115.5496 61.6761 62.7699 176.5822 131 E 3.9284 8.3439 121.3972 59.4366 29.1299 179.2002 132 N 3.7570 8.0238 116.5761 55.6476 38.4065 177.1995 133 L 4.1476 7.9590 121.9880 58.1633 42.1738 178.6514 134 E 3.9347 8.1158 119.0897 59.3676 29.5269 178.8611 135 I 3.6618 7.6093 119.6662 64.2785 37.1819 178.3842 136 W 4.5376 8.3174 120.1625 59.9339 28.8620 178.8208 137 K 4.0817 8.4488 118.3992 59.3187 31.3105 179.2790 138 K 3.9692 8.3048 119.2961 59.4174 32.2346 178.3244 139 K 4.3226 8.3568 116.3079 56.2545 32.2171 177.3421 140 G 3.9521 7.8567 107.2471 46.7364 0.0000 174.5044 141 E 4.3737 8.2278 119.9883 56.1818 30.7865 176.4995 142 L 4.0861 7.9066 121.4153 54.9286 42.4950 176.9805 143 T 4.3469 8.6514 117.3686 60.3087 71.5462 173.9084 144 P 4.2338 0.0000 0.0000 66.1427 31.4339 179.1517 145 T 3.9156 7.8016 108.0298 64.7825 68.7852 176.5093 146 Q 3.9263 8.0971 120.9386 58.6482 28.6843 178.2476 147 E 3.9632 8.4889 120.6550 59.3794 29.5688 178.8774 148 I 3.7536 7.6729 119.5701 64.7496 37.1242 178.5216 149 T 3.8655 7.8026 109.9990 64.8344 68.3900 176.6827 150 I 3.5495 7.9140 122.6907 64.0331 37.1601 178.4251 151 K 3.9718 8.2721 119.4439 59.5040 31.8668 178.7367 152 Y 4.0855 8.4424 120.0312 60.6876 38.8015 178.2808 153 G 3.7049 8.6235 106.8984 47.8958 0.0000 175.5752 154 L 4.1102 8.2695 121.7130 57.4183 41.6200 179.3872 155 A 3.9834 8.0024 120.7163 55.1004 18.1290 179.3615 156 Q 3.7668 7.9875 117.8681 59.6087 29.1827 178.2719 157 Y 4.4430 7.7442 117.5224 61.2680 37.9283 178.8406 158 K 4.1065 8.8089 120.0412 59.3005 32.2428 179.6884 159 S 4.1438 8.3493 115.0958 61.6600 63.0651 176.7247 160 T 3.9796 7.8069 113.6805 64.1397 68.5887 176.5378 161 K 3.8639 8.2012 122.5406 59.1840 32.1681 178.5397 162 K 3.8919 8.2417 119.8579 59.5088 32.1184 178.7536 163 V 3.6217 7.7208 118.1504 66.1519 31.3691 178.0762 164 L 4.0878 7.9359 118.4217 57.7543 41.4855 179.2319 165 E 3.9682 8.5027 118.8795 59.6375 29.2164 179.3503 166 E 4.0203 8.4320 117.7207 59.1726 29.7330 178.8051 167 E 4.0931 8.2381 119.4599 59.4043 29.5705 178.9648 168 L 4.0284 7.9822 117.4757 57.5531 41.7255 178.9223 169 A 4.0735 7.8364 119.2619 53.1850 18.4337 177.4854 170 K 4.2136 7.9282 121.5731 56.5560 32.6643 176.2076 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 1 M 8.40 4.54 0.00 2.12 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 2.70 2.71 0.00 2 Q 8.28 4.65 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 3 G 8.60 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.96 3.84 0.00 1.91 2.02 0.00 1.45 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 5 D 7.68 4.03 0.00 2.22 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 0.00 0.00 0.00 6 I 7.28 3.62 1.52 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.16 0.00 0.00 7 I 7.60 3.55 1.70 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.23 0.74 0.00 0.00 8 L 7.67 4.01 0.00 1.66 1.68 0.92 0.75 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 9 G 8.04 3.79 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 0.00 0.00 0.00 10 I 7.70 3.76 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.90 0.00 0.00 11 L 7.77 4.57 0.00 1.59 1.70 0.90 0.95 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 12 S 7.76 4.25 0.00 4.04 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.90 4.42 0.00 1.76 1.89 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.42 7.81 14 K 7.54 4.67 0.00 1.71 1.68 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.43 7.81 15 E 8.68 4.43 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 16 R 9.02 4.90 0.00 1.78 1.81 0.00 3.16 0.00 0.00 3.43 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 17 S 8.28 5.25 0.00 3.83 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 18 G 9.04 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 0.00 0.00 0.00 19 Y 7.75 4.47 0.00 3.06 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 20 E 8.53 4.02 0.00 2.15 2.16 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 2.37 2.42 0.00 21 I 8.07 3.68 1.94 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.76 0.00 0.00 22 N 8.47 4.21 0.00 2.86 3.09 0.00 0.00 6.89 9.22 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 23 D 8.41 4.33 0.00 2.92 2.87 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 24 I 7.99 3.75 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.68 0.98 0.00 0.00 25 L 7.87 3.83 0.00 1.55 1.61 0.62 0.90 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 26 Q 8.43 4.16 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.55 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 27 N 8.49 4.88 0.00 2.92 2.83 0.00 0.00 6.93 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.09 4.58 0.00 2.39 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 29 L 7.94 4.41 0.00 1.38 0.81 0.90 1.32 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 30 S 8.23 5.02 0.00 4.03 4.16 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 31 Y 8.39 5.08 0.00 3.31 3.39 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 32 F 7.31 4.78 0.00 2.90 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 33 Y 7.09 4.16 0.00 2.77 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 34 D 8.17 4.54 0.00 2.82 2.51 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 0.00 0.00 0.00 0.00 35 G 8.26 4.16 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 0.00 36 T 8.34 4.35 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 1.19 0.00 0.00 *37 Y 8.28 4.02 0.00 2.35 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 0.00 0.00 0.00 38 G 8.73 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 39 M 8.09 4.15 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 40 I 7.42 3.42 1.55 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.12 0.01 0.00 0.00 41 Y 7.35 4.13 0.00 3.07 2.95 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 42 P 0.00 4.35 0.00 2.17 2.12 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 43 T 7.80 3.92 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 1.14 0.00 0.00 44 L 8.09 3.80 0.00 1.69 1.39 0.39 0.42 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 45 R 8.02 3.98 0.00 2.09 2.01 0.00 3.15 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 46 K 8.09 3.98 0.00 1.84 1.78 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.47 7.81 47 L 8.14 4.01 0.00 1.82 1.68 0.81 0.83 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 48 E 8.24 4.33 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 2.34 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2.33 0.00 74 S 8.14 4.23 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.05 3.60 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 0.00 0.00 0.00 76 K 8.34 4.01 0.00 1.99 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.57 7.81 77 K 8.22 3.87 0.00 1.92 2.03 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.33 7.81 78 E 8.27 3.94 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 79 L 8.04 3.93 0.00 1.80 1.83 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.99 4.00 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 81 S 8.30 4.22 0.00 4.08 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 82 Y 8.24 3.98 0.00 3.17 3.14 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 91 I 8.14 4.46 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 1.32 0.65 0.90 0.00 0.00 92 F 8.54 4.77 0.00 2.88 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 93 K 8.05 4.03 0.00 1.57 1.55 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.31 7.81 94 S 7.81 4.37 0.00 3.42 3.60 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 95 D 8.53 4.31 0.00 2.83 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 96 F 8.33 4.22 0.00 3.17 3.12 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 97 L 8.07 3.73 0.00 1.79 1.73 1.18 1.02 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 98 M 7.99 4.10 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 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2.99 2.96 0.00 0.00 6.33 8.07 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 0.00 108 D 8.54 4.42 0.00 2.70 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 0.00 109 D 8.08 4.54 0.00 2.83 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 0.00 110 D 9.16 4.38 0.00 2.94 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 0.00 111 L 8.03 3.96 0.00 1.78 1.82 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.40 3.95 0.00 2.18 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 0.00 2.33 2.35 0.00 113 Q 8.32 3.97 0.00 2.37 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 114 L 8.08 4.10 0.00 2.07 2.00 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.10 3.89 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.99 0.99 0.00 0.00 116 R 8.20 3.91 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 117 E 8.50 3.97 0.00 2.01 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 2.33 2.58 0.00 118 E 8.13 3.70 0.00 1.16 1.35 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 1.47 1.94 0.00 119 I 7.82 3.61 1.97 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 1.49 0.53 0.88 0.00 0.00 120 E 8.25 4.08 0.00 2.13 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 2.30 2.50 0.00 121 R 7.81 3.85 0.00 1.93 1.89 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 122 K 8.10 3.78 0.00 1.85 1.80 0.00 1.81 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.56 1.59 7.81 123 E 8.21 3.88 0.00 2.10 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 2.30 2.35 0.00 124 E 8.21 3.84 0.00 2.10 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 2.26 2.45 0.00 125 K 7.83 3.86 0.00 0.95 0.98 0.00 1.40 0.00 0.00 1.50 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.41 7.81 126 I 7.68 3.73 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.59 0.93 0.00 0.00 127 K 8.14 3.81 0.00 1.83 1.97 0.00 1.60 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 128 R 7.91 3.79 0.00 1.98 2.01 0.00 3.24 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 129 L 8.20 3.93 0.00 1.92 1.78 0.29 1.24 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 0.00 130 S 8.58 4.10 0.00 4.03 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 0.00 131 E 8.34 3.93 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 132 N 8.02 3.76 0.00 2.29 1.42 0.00 0.00 6.64 6.02 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 0.00 133 L 7.96 4.15 0.00 1.85 1.86 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.12 3.93 0.00 2.07 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 2.29 2.35 0.00 135 I 7.61 3.66 1.59 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.45 0.83 0.00 0.00 136 W 8.32 4.54 0.00 3.55 3.11 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 0.00 137 K 8.45 4.08 0.00 2.14 1.91 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.54 7.81 138 K 8.30 3.97 0.00 1.85 2.00 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 139 K 8.36 4.32 0.00 1.89 1.92 0.00 1.91 0.00 0.00 1.85 0.00 0.00 3.34 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.69 7.81 140 G 7.86 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 0.00 141 E 8.23 4.37 0.00 2.08 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 2.31 2.47 0.00 142 L 7.91 4.09 0.00 1.71 1.65 0.95 1.03 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 0.00 143 T 8.65 4.35 4.19 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 1.19 0.00 0.00 144 P 0.00 4.23 0.00 2.16 2.14 0.00 3.57 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 2.10 2.14 0.00 145 T 7.80 3.92 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 1.17 0.00 0.00 146 Q 8.10 3.93 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 147 E 8.49 3.96 0.00 2.13 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 0.00 2.34 2.40 0.00 148 I 7.67 3.75 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 1.59 0.58 0.95 0.00 0.00 149 T 7.80 3.87 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 1.09 0.00 0.00 150 I 7.91 3.55 2.04 0.00 0.00 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 1.39 1.01 0.87 0.00 0.00 151 K 8.27 3.97 0.00 2.02 1.90 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.58 7.81 152 Y 8.44 4.09 0.00 3.11 3.12 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 0.00 153 G 8.62 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 0.00 154 L 8.27 4.11 0.00 1.71 1.77 0.94 0.99 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 0.00 155 A 8.00 3.98 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 0.00 156 Q 7.99 3.77 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 157 Y 7.74 4.44 0.00 3.23 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 0.00 158 K 8.81 4.11 0.00 1.82 1.88 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.67 7.81 159 S 8.35 4.14 0.00 4.03 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 7.81 3.98 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 161 K 8.20 3.86 0.00 1.96 2.06 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.44 7.81 162 K 8.24 3.89 0.00 1.99 2.00 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 163 V 7.72 3.62 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 1.03 0.00 0.00 1.02 0.00 0.00 164 L 7.94 4.09 0.00 1.93 1.73 0.77 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.50 3.97 0.00 2.15 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 2.54 0.00 166 E 8.43 4.02 0.00 2.07 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 2.36 2.46 0.00 167 E 8.24 4.09 0.00 2.13 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 0.00 2.35 2.43 0.00 168 L 7.98 4.03 0.00 1.83 1.73 0.93 0.76 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 0.00 169 A 7.84 4.07 1.35 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 0.00 170 K 7.93 4.21 0.00 1.85 2.10 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.