NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 3.8831 8.0249 121.4427 60.2432 37.5752 174.8864 3 P 4.2925 0.0000 0.0000 61.1492 32.3635 176.4027 4 R 4.0276 8.7543 121.1445 59.3261 30.9811 178.7391 5 R 3.9103 7.9625 118.2075 59.4865 30.1723 178.2555 6 I 3.8974 7.9403 119.1105 65.0044 37.3045 178.4156 7 T 3.9105 7.6411 115.0258 66.3647 68.1365 176.7867 8 K 3.9915 8.1218 121.6662 59.5664 32.3164 178.8249 9 E 4.0074 8.8369 119.2646 59.6025 29.4141 179.3304 10 T 4.1626 8.5086 118.5803 67.6709 68.5340 177.2930 11 Q 4.0823 8.0654 122.1186 60.2057 28.1897 179.8257 12 N 4.5194 8.5216 119.0515 56.5650 38.7380 177.0495 13 L 4.0806 7.9809 119.5526 57.3317 41.8212 178.9552 14 A 4.1802 7.8148 120.0112 55.2317 18.5471 179.1142 15 N 4.6188 8.2797 114.0109 54.7302 40.0700 175.4657 16 E 4.6195 7.8002 119.9960 53.4108 29.5190 172.8296 17 P 4.5628 0.0000 0.0000 60.9403 33.1319 175.6146 18 P 4.4022 0.0000 0.0000 61.4196 31.9701 174.2761 19 P 4.4284 0.0000 0.0000 64.6321 31.3743 176.6852 20 G 4.0020 9.3017 110.5369 45.1479 0.0000 171.9849 21 I 5.0756 7.7684 119.5461 59.5572 40.4172 174.8844 22 M 4.9434 9.2635 125.6933 53.4720 35.7751 174.6079 23 A 5.1314 8.5866 123.9152 50.6906 22.0738 175.6366 24 V 4.6877 8.6902 115.4825 58.9091 36.0711 173.9491 25 P 4.0788 0.0000 0.0000 62.0988 32.7644 175.6063 26 V 3.7994 7.8027 121.1189 61.3700 32.6344 173.8251 27 P 4.2840 0.0000 0.0000 64.4912 31.5703 176.0641 28 E 3.8324 9.5221 120.1174 56.8103 26.9278 174.7744 29 N 4.7564 8.0634 119.2869 52.5104 39.7028 174.2719 30 Y 4.1391 8.3294 122.1522 58.5069 38.8423 177.5763 31 R 4.1749 7.2401 120.0635 58.2308 31.8425 176.0407 32 H 4.2437 7.9079 120.2368 55.4648 31.2149 174.3204 33 F 5.0475 8.8342 123.6962 55.6817 43.1839 173.4640 34 N 5.3790 9.0650 120.2685 51.6937 40.7787 173.8799 35 I 5.0143 8.8744 124.6826 59.3757 40.8478 174.4676 36 L 5.2331 8.9885 126.2570 53.0578 44.5904 175.3791 37 I 4.9829 8.7340 125.1974 59.2996 39.9416 175.0768 38 N 5.0771 9.2147 125.7309 52.9310 39.1562 175.4103 39 G 4.5621 9.4147 111.2228 45.1957 0.0000 171.7438 40 P 4.6252 0.0000 0.0000 62.2984 32.1856 175.7458 41 D 4.6317 8.4772 121.2120 55.9056 41.2473 177.0136 42 G 3.9586 9.5212 111.3216 45.8373 0.0000 173.1472 43 T 4.7014 7.2357 107.7482 58.5408 71.8449 173.3366 44 P 4.1603 0.0000 0.0000 64.9819 31.5478 177.3726 45 Y 5.0048 7.0809 114.4091 57.4863 38.3566 175.0816 46 E 4.5360 7.4681 121.5850 57.2263 29.9920 177.1785 47 G 4.0437 9.2147 114.2534 45.1669 0.0000 173.5018 48 G 4.5284 7.7500 106.3619 44.6463 0.0000 172.7686 49 T 5.0851 8.1838 117.2700 61.6955 71.2111 173.0474 50 Y 4.7368 9.1966 124.7923 56.0790 40.5583 175.3247 51 K 4.7750 9.1265 124.8152 56.2836 33.6409 176.2421 52 L 5.2479 9.1823 123.6635 52.8901 46.7468 174.9246 53 E 5.0938 8.9348 119.1893 54.4478 32.4673 174.4731 54 L 5.1504 8.5417 124.7394 53.2444 45.2328 174.7031 55 F 5.0631 9.3250 125.2500 55.6922 41.6767 174.5193 56 L 4.5816 8.4822 124.3698 52.4201 42.4244 175.1986 57 P 4.5490 0.0000 0.0000 62.0088 32.3864 177.2026 58 E 4.0247 8.6978 118.0587 59.7496 29.4639 178.7454 59 Q 4.2215 8.0625 115.7598 56.9443 29.3005 175.2754 60 Y 4.5520 7.5928 119.8231 57.8331 39.0577 173.8355 61 P 3.7957 0.0000 0.0000 62.7694 31.6247 176.7292 62 M 4.3113 8.4218 121.7381 57.8342 32.1238 176.5772 63 E 4.7880 7.9087 116.5339 53.4006 32.1014 173.9932 64 P 2.9700 0.0000 0.0000 61.3155 32.0327 174.3675 65 P 4.4583 0.0000 0.0000 62.4211 32.6006 175.5550 66 K 4.5422 8.6840 121.0494 55.0836 34.0507 176.0844 67 V 5.4468 8.4161 123.3465 60.3096 34.8065 174.3720 68 R 4.9356 8.2438 121.7161 54.6213 32.6455 174.1702 69 F 4.5562 9.4473 120.5037 58.0976 39.5374 176.0260 70 L 4.5260 8.9399 122.2921 56.3695 43.1673 177.4303 71 T 4.3642 8.1032 115.3979 62.5211 69.2322 175.4312 72 K 4.1603 8.5942 125.8963 56.7103 32.7193 176.3194 73 I 4.9096 8.3027 121.6222 59.9867 40.8355 174.0662 74 Y 3.9278 8.8478 129.0910 56.4920 37.6894 173.4193 75 H 4.5114 7.7042 125.6232 53.4618 33.2630 172.6373 76 P 4.0729 0.0000 0.0000 64.9537 31.3096 177.1922 77 N 4.6748 8.0670 114.2914 52.6320 38.9015 174.0444 78 I 4.5804 7.2885 119.3636 59.3026 40.1655 175.4567 79 D 4.7029 8.4767 125.7130 51.8896 40.6128 177.2517 80 K 4.1468 8.5292 117.5531 59.2276 32.4823 177.5188 81 L 4.3814 8.2016 117.6575 54.3963 42.1306 177.1708 82 G 4.1857 8.2556 107.8156 46.3711 0.0000 174.0588 83 R 4.4001 8.3902 119.7598 55.8396 30.6742 175.7127 84 I 4.7507 8.0741 113.5354 59.1945 40.4221 175.0546 85 C 4.6316 8.3553 120.6286 57.1432 31.7380 171.6424 86 L 4.7817 7.9258 124.9323 52.2214 44.1149 177.3943 87 D 4.3838 8.9737 123.8146 57.6339 40.8836 178.3375 88 I 4.2406 7.8228 108.5348 61.9224 37.8072 175.8451 89 L 4.6290 7.7466 121.7574 54.5984 42.1252 176.9615 *91 D 4.6789 8.1582 118.8200 54.0905 42.9327 175.7137 92 K 4.4891 7.9113 115.2639 55.7560 32.1838 176.2862 93 W 4.5099 8.0697 129.1963 57.2429 31.4820 175.3333 94 S 4.2382 6.6477 117.3990 55.6483 64.9134 172.9978 95 P 3.9779 0.0000 0.0000 64.5448 31.2761 177.6440 96 A 3.9233 7.2679 120.6962 54.5274 18.4135 178.0517 97 L 4.2419 6.9208 114.9073 54.1995 42.7516 175.5805 98 Q 4.9535 8.8932 118.9420 53.3550 33.0483 176.6728 99 I 3.6838 8.9619 119.5721 64.9198 36.8883 178.6464 100 R 3.9012 8.0620 118.7948 59.8831 29.9535 178.5116 101 T 3.9120 7.8958 115.4861 66.4868 68.4053 176.9118 102 V 3.6339 7.7651 119.6683 66.0650 31.7528 177.9733 103 L 3.9475 7.9134 118.7561 57.8040 41.4419 179.5492 104 L 4.0272 8.0161 118.9968 57.6922 41.4845 179.5669 105 S 4.1170 7.9399 112.9362 61.3282 62.2186 176.2619 106 I 3.6904 7.8965 122.6287 64.3582 36.4667 178.1206 107 Q 3.9558 8.2274 120.1883 59.2691 29.0156 178.3386 108 A 4.2309 8.1966 121.7400 54.9361 18.1359 179.3624 109 L 3.9419 7.6262 118.3682 58.2670 42.2102 178.9587 110 L 4.0296 7.5454 118.2378 57.4683 41.5320 179.0025 111 S 4.6369 7.4125 114.3832 59.1471 64.3572 174.6266 112 S 4.6892 7.4669 116.5989 55.7820 62.7421 171.2104 113 P 4.4567 0.0000 0.0000 62.1675 32.2434 176.7389 114 E 4.5100 9.3740 123.0164 53.5561 29.5853 174.9273 115 P 4.2580 0.0000 0.0000 65.1417 31.8249 178.2239 116 D 4.4517 8.0276 117.7191 56.0117 41.4144 175.9115 117 D 4.8833 7.4115 118.3011 51.7058 40.5320 173.1997 118 P 4.7348 0.0000 0.0000 61.6119 33.3500 176.3512 119 L 4.2581 8.2518 121.0973 55.5362 43.3720 176.1335 120 D 4.7479 7.5666 117.5946 52.2690 42.5101 176.2183 121 S 4.0980 8.4292 124.5675 61.0586 62.5647 176.4879 122 K 3.8959 8.0213 122.0514 59.5939 32.2523 178.8165 123 V 3.5076 8.1813 118.3062 65.9189 31.3391 177.7935 124 A 4.0046 8.2020 120.6613 55.2130 18.1569 179.2260 125 E 3.9510 8.3025 117.8525 59.5125 29.5608 178.5907 126 H 4.2394 8.0688 118.0388 59.4279 29.7818 177.3728 127 F 3.9091 8.0828 117.9543 60.1348 38.6934 177.5752 128 K 4.2133 7.9079 117.6329 59.4733 32.1440 179.1052 129 Q 4.3951 8.2646 117.5044 57.7680 29.7671 176.2607 130 D 4.5655 8.3201 120.2337 51.3904 42.4677 175.0917 131 K 3.8827 8.5448 125.6903 59.0831 32.4628 177.4205 132 N 4.2180 8.0779 116.1497 56.6185 38.4466 176.7550 133 D 4.2354 7.9944 119.0523 57.1137 41.1995 178.0863 134 A 3.3488 7.5965 121.3728 54.9188 18.1172 179.5271 135 E 3.8134 7.9899 117.1827 59.4205 29.4516 179.0163 136 H 4.0410 8.2172 118.4857 59.2810 29.8975 177.4570 137 V 3.3766 7.8055 119.9281 65.9082 31.2682 177.8156 138 A 4.0247 7.9745 120.6435 55.1722 18.3378 179.6281 139 R 4.4943 8.2955 119.0580 59.1063 30.1248 178.8532 140 Q 4.0153 8.1092 118.0832 58.6063 28.7360 178.4169 141 W 4.2577 8.7063 120.2529 59.9325 29.2821 177.9157 142 N 4.5640 8.6816 116.9005 56.7148 38.1747 176.7787 143 K 3.9085 7.7369 119.4621 59.4393 32.4100 178.0671 144 I 3.8056 7.3692 117.1301 62.9702 38.1452 176.4115 145 Y 4.6794 8.1362 115.9641 58.0093 38.9445 175.6970 146 A 4.5946 7.9942 125.8294 52.1147 19.7017 178.9021 147 N 4.2070 8.5757 120.4626 56.8597 37.8522 179.1714 148 N 4.7247 7.5959 121.4932 51.3904 39.3214 176.1532 149 N 4.6565 8.6050 120.9835 53.1009 38.5627 174.7383 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 I 8.02 3.88 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.95 0.59 0.00 0.00 3 P 0.00 4.29 0.00 2.37 2.04 0.00 3.66 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 2.29 2.23 0.00 4 R 8.75 4.03 0.00 1.98 1.94 0.00 3.30 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.25 0.00 5 R 7.96 3.91 0.00 1.96 1.99 0.00 3.25 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.81 0.00 6 I 7.94 3.90 2.06 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 1.91 0.84 1.26 0.00 0.00 7 T 7.64 3.91 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 1.20 0.00 0.00 8 K 8.12 3.99 0.00 2.04 1.94 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.64 7.81 9 E 8.84 4.01 0.00 2.24 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 2.40 2.62 0.00 10 T 8.51 4.16 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 1.30 0.00 0.00 11 Q 8.07 4.08 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 12 N 8.52 4.52 0.00 2.94 3.02 0.00 0.00 7.22 7.04 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 13 L 7.98 4.08 0.00 1.89 1.75 0.81 0.57 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 14 A 7.81 4.18 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 15 N 8.28 4.62 0.00 2.80 2.90 0.00 0.00 6.78 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 16 E 7.80 4.62 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 2.21 2.22 0.00 17 P 0.00 4.56 0.00 2.42 2.20 0.00 3.84 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 2.00 2.00 0.00 18 P 0.00 4.40 0.00 2.21 2.01 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 19 P 0.00 4.43 0.00 2.19 2.10 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 20 G 9.30 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 5.08 2.00 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 1.24 0.74 0.91 0.00 0.00 22 M 9.26 4.94 0.00 1.92 1.93 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 2.52 2.47 0.00 23 A 8.59 5.13 1.22 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 24 V 8.69 4.69 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 0.79 0.00 0.00 0.92 0.00 0.00 25 P 0.00 4.08 0.00 1.71 1.15 0.00 3.66 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 26 V 7.80 3.80 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 0.79 0.00 0.00 0.58 0.00 0.00 27 P 0.00 4.28 0.00 2.03 1.96 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 28 E 9.52 3.83 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 29 N 8.06 4.76 0.00 2.64 2.57 0.00 0.00 6.96 7.09 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 30 Y 8.33 4.14 0.00 3.08 3.01 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 31 R 7.24 4.17 0.00 1.68 2.08 0.00 2.85 0.00 0.00 2.94 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.62 0.00 32 H 7.91 4.24 0.00 3.01 3.01 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.83 5.05 0.00 2.95 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 34 N 9.06 5.38 0.00 2.60 2.69 0.00 0.00 6.66 8.01 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 35 I 8.87 5.01 1.79 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 1.15 0.67 0.90 0.00 0.00 36 L 8.99 5.23 0.00 1.66 1.58 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.73 4.98 1.96 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 1.23 0.76 0.96 0.00 0.00 38 N 9.21 5.08 0.00 2.67 2.85 0.00 0.00 7.04 8.04 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 39 G 9.41 4.56 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 0.00 0.00 0.00 40 P 0.00 4.63 0.00 2.29 2.05 0.00 3.80 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 41 D 8.48 4.63 0.00 2.70 2.64 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 42 G 9.52 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 43 T 7.24 4.70 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 1.36 0.00 0.00 44 P 0.00 4.16 0.00 1.35 2.11 0.00 3.06 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 45 Y 7.08 5.00 0.00 3.17 3.17 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 0.00 46 E 7.47 4.54 0.00 2.22 1.92 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 2.38 2.44 0.00 47 G 9.21 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.75 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.18 5.09 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 1.28 0.00 0.00 50 Y 9.20 4.74 0.00 3.17 3.23 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 51 K 9.13 4.77 0.00 1.78 1.76 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.45 7.81 52 L 9.18 5.25 0.00 1.35 1.24 0.68 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.93 5.09 0.00 1.90 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 2.37 2.32 0.00 54 L 8.54 5.15 0.00 1.59 1.40 0.71 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.33 5.06 0.00 2.92 2.82 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 0.00 0.00 0.00 56 L 8.48 4.58 0.00 1.44 1.38 0.83 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.55 0.00 2.23 2.17 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 58 E 8.70 4.02 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 59 Q 8.06 4.22 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.03 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 60 Y 7.59 4.55 0.00 2.90 3.04 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 0.00 0.00 0.00 61 P 0.00 3.80 0.00 1.93 1.16 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 62 M 8.42 4.31 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.75 0.00 63 E 7.91 4.79 0.00 1.95 1.79 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 2.24 2.30 0.00 64 P 0.00 2.97 0.00 1.70 1.33 0.00 3.61 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 65 P 0.00 4.46 0.00 1.72 1.75 0.00 3.01 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 66 K 8.68 4.54 0.00 1.76 1.72 0.00 1.40 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.34 7.81 67 V 8.42 5.45 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 0.74 0.00 0.00 0.82 0.00 0.00 68 R 8.24 4.94 0.00 1.98 1.99 0.00 3.26 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 69 F 9.45 4.56 0.00 3.04 3.27 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 70 L 8.94 4.53 0.00 1.56 1.77 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.10 4.36 4.62 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 1.26 0.00 0.00 72 K 8.59 4.16 0.00 0.94 1.30 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.64 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.20 1.13 7.81 73 I 8.30 4.91 1.78 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 0.94 0.64 0.28 0.00 0.00 74 Y 8.85 3.93 0.00 1.92 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 75 H 7.70 4.51 0.00 2.85 2.74 0.00 5.73 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 76 P 0.00 4.07 0.00 1.99 1.89 0.00 2.67 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 1.56 1.10 0.00 77 N 8.07 4.67 0.00 2.65 2.80 0.00 0.00 6.70 7.45 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 78 I 7.29 4.58 1.58 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.30 0.77 0.00 0.00 79 D 8.48 4.70 0.00 2.93 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 80 K 8.53 4.15 0.00 2.23 2.07 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.03 7.81 81 L 8.20 4.38 0.00 1.79 1.76 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.26 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 0.00 0.00 0.00 0.00 83 R 8.39 4.40 0.00 2.28 1.87 0.00 3.06 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 84 I 8.07 4.75 1.89 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 1.34 0.68 1.06 0.00 0.00 85 C 8.36 4.63 0.00 2.89 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 86 L 7.93 4.78 0.00 1.72 1.55 0.93 1.07 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 87 D 8.97 4.38 0.00 2.72 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 88 I 7.82 4.24 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.65 0.96 0.00 0.00 89 L 7.75 4.63 0.00 1.75 1.61 0.88 1.19 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 *91 D 8.16 4.68 0.00 2.67 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 92 K 7.91 4.49 0.00 1.97 1.83 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.38 7.81 93 W 8.07 4.51 0.00 3.52 3.01 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 94 S 6.65 4.24 0.00 3.59 3.23 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 95 P 0.00 3.98 0.00 1.92 1.95 0.00 3.51 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.15 0.00 96 A 7.27 3.92 1.12 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 97 L 6.92 4.24 0.00 0.79 1.47 0.85 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.89 4.95 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 99 I 8.96 3.68 1.73 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.77 0.56 0.00 0.00 100 R 8.06 3.90 0.00 1.88 1.95 0.00 3.19 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 101 T 7.90 3.91 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 1.23 0.00 0.00 102 V 7.77 3.63 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 1.03 0.00 0.00 1.14 0.00 0.00 103 L 7.91 3.95 0.00 1.72 1.66 0.85 0.45 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 0.00 104 L 8.02 4.03 0.00 1.92 1.72 0.97 0.76 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 0.00 105 S 7.94 4.12 0.00 4.07 4.04 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 0.00 0.00 0.00 106 I 7.90 3.69 1.93 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.85 0.00 0.00 107 Q 8.23 3.96 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 108 A 8.20 4.23 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 0.00 109 L 7.63 3.94 0.00 1.77 1.90 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.55 4.03 0.00 1.71 1.64 0.82 0.39 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 0.00 111 S 7.41 4.64 0.00 4.12 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 0.00 112 S 7.47 4.69 0.00 3.85 3.76 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 0.00 113 P 0.00 4.46 0.00 1.74 1.41 0.00 3.60 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 1.94 2.05 0.00 114 E 9.37 4.51 0.00 1.85 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 2.18 2.32 0.00 115 P 0.00 4.26 0.00 2.18 2.14 0.00 3.71 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 1.98 2.00 0.00 116 D 8.03 4.45 0.00 2.68 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 0.00 117 D 7.41 4.88 0.00 2.57 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.73 0.00 2.17 2.09 0.00 3.77 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 1.93 2.00 0.00 119 L 8.25 4.26 0.00 1.57 1.65 0.91 1.13 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 0.00 120 D 7.57 4.75 0.00 2.64 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 0.00 121 S 8.43 4.10 0.00 3.90 3.89 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 0.00 122 K 8.02 3.90 0.00 1.83 1.94 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.52 7.81 123 V 8.18 3.51 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 0.36 0.00 0.00 0.65 0.00 0.00 124 A 8.20 4.00 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 0.00 125 E 8.30 3.95 0.00 2.24 2.00 0.00 0.00 0.00 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 0.00 126 H 8.07 4.24 0.00 3.29 3.53 0.00 5.66 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 0.00 127 F 8.08 3.91 0.00 3.18 3.07 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 0.00 128 K 7.91 4.21 0.00 1.92 1.89 0.00 1.72 0.00 0.00 1.97 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.62 7.81 129 Q 8.26 4.40 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 130 D 8.32 4.57 0.00 2.62 2.49 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 0.00 131 K 8.54 3.88 0.00 1.87 1.78 0.00 1.84 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.64 7.81 132 N 8.08 4.22 0.00 2.72 2.81 0.00 0.00 6.71 8.08 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 0.00 133 D 7.99 4.24 0.00 2.75 2.64 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 0.00 134 A 7.60 3.35 0.07 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 0.00 135 E 7.99 3.81 0.00 2.09 1.94 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 2.40 2.44 0.00 136 H 8.22 4.04 0.00 3.27 3.35 0.00 5.79 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 0.00 137 V 7.81 3.38 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.81 0.00 0.00 138 A 7.97 4.02 1.56 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 0.00 0.00 139 R 8.30 4.49 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 140 Q 8.11 4.02 0.00 2.36 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 141 W 8.71 4.26 0.00 3.72 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 0.00 142 N 8.68 4.56 0.00 3.30 3.19 0.00 0.00 6.88 5.26 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 0.00 143 K 7.74 3.91 0.00 1.95 1.95 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 144 I 7.37 3.81 1.55 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.71 -0.12 0.00 0.00 145 Y 8.14 4.68 0.00 3.11 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 0.00 146 A 7.99 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 N 8.58 4.21 0.00 2.75 2.75 0.00 0.00 6.57 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.60 4.72 0.00 2.68 2.60 0.00 0.00 6.70 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.61 4.66 0.00 2.85 2.86 0.00 0.00 7.02 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 * Residues marked with a * may have inaccurate shift predictions.