NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4617 8.3049 120.3505 55.1766 33.4286 174.4370 2 K 4.5380 8.4353 122.4791 52.6356 35.4328 174.1759 3 S 4.8890 9.3107 118.2072 56.6939 66.8342 172.7666 4 R 5.8671 8.9114 120.7945 53.5067 34.4288 174.2018 5 I 4.7795 8.3758 113.7898 59.3929 40.6992 174.2928 6 I 5.3343 8.6972 123.8784 59.7887 40.4608 175.1388 7 V 4.5250 8.7716 119.1189 59.5463 35.2813 174.7524 8 R 5.2474 8.5984 122.5542 54.9489 33.0119 174.7158 9 T 4.8396 9.0518 116.7245 61.3107 71.8168 171.7665 10 S 5.1997 8.5726 116.3933 57.0355 65.6284 172.7591 11 F 5.2075 8.4122 118.9321 55.7738 41.1393 172.5579 12 D 5.6120 9.0207 119.5137 52.9213 43.7996 175.1921 13 A 4.6181 9.1521 122.2490 50.9108 23.2988 174.9145 14 A 5.1258 8.5934 122.0581 51.0574 22.1107 176.0503 15 H 4.7915 7.9063 113.8537 57.6309 31.4861 172.5998 16 A 4.3431 8.3620 119.8173 52.9709 22.9019 174.9526 *27 H 4.5891 8.1691 110.2636 56.2441 30.4429 172.8488 28 G 4.4835 8.2374 104.5821 45.1395 0.0000 170.9430 29 H 4.9467 9.2924 116.5354 54.3022 34.3429 172.7502 30 T 4.4591 7.9546 115.9378 62.0612 70.2717 173.8130 31 F 4.7142 8.5186 126.4962 56.0987 41.1360 175.0778 32 F 5.2333 9.1512 121.7056 55.6626 41.6167 174.0126 33 L 5.3999 9.2091 126.2615 53.2372 44.9534 174.5484 34 E 5.1768 9.5211 126.5451 54.4822 32.8581 174.2350 35 V 4.9701 8.9980 126.6425 61.0169 34.7325 173.7649 36 A 5.3374 9.1990 129.6082 50.2502 21.8252 174.8148 37 I 4.8366 8.6563 123.6998 59.5231 39.9270 174.3430 38 E 4.9885 9.1635 129.2555 55.0340 31.4004 175.1413 39 G 4.1408 8.1911 112.3756 46.2314 0.0000 172.4810 40 E 4.4253 8.1960 118.8787 55.3186 30.5242 176.3436 41 I 4.1738 8.0692 122.9044 60.7191 37.7219 175.7783 42 K 4.3714 8.1472 124.8650 55.5469 35.0197 176.0401 43 N 4.1940 9.8408 120.4012 54.5406 37.2542 174.9509 44 G 4.0881 9.7512 103.5509 44.9783 0.0000 173.4701 45 Y 4.8248 7.4396 116.7827 55.3962 41.2185 176.3709 46 V 3.6884 8.4582 121.0916 65.1447 31.9821 176.0641 47 M 4.7938 7.6503 115.2150 52.8811 35.1919 173.8843 48 D 4.0679 8.9474 124.3248 54.6683 42.4232 177.0980 49 F 4.6125 8.6810 125.7068 61.1142 39.0775 177.7407 50 L 4.0778 8.0676 117.8721 57.6806 41.3991 179.1301 51 E 3.9681 8.6876 118.7445 59.3712 29.4745 179.2382 52 L 3.9593 7.8872 119.8210 58.2739 42.2350 178.8364 53 R 4.0671 8.2403 118.6599 59.3741 29.8801 178.7106 54 K 3.9886 8.5601 118.5725 59.5138 31.6403 179.2104 55 I 3.6670 7.9560 120.3050 64.5270 37.0730 178.7321 56 V 3.6331 8.3386 119.1666 66.0963 31.5828 177.7334 57 E 4.7866 8.3232 118.6865 57.9378 29.1552 178.9044 58 E 4.0661 7.9763 118.6768 59.1509 29.6872 178.8512 59 I 3.9324 7.5062 119.5755 64.4775 37.2929 178.4945 60 T 3.6677 8.0784 110.3018 64.0697 67.1220 176.5757 61 K 3.9830 7.9832 122.6956 59.2555 31.9768 177.8819 62 E 3.8736 7.8907 116.9603 57.5961 29.7809 177.1553 63 L 4.2994 7.7466 119.0814 55.2026 43.7007 176.3804 64 D 4.5387 7.4221 117.2369 56.4921 41.2872 177.1157 65 H 4.0985 9.5627 122.1744 56.8970 28.2144 174.1104 66 R 4.5472 7.6856 118.4061 54.9300 33.1630 176.0045 67 N 4.6857 8.3997 118.3632 52.9370 38.6944 175.8204 68 L 4.1333 8.9996 128.1680 57.7339 41.9619 179.1692 69 N 4.9991 8.2602 114.0879 54.3458 38.6163 175.8175 70 N 4.5391 7.8989 116.4240 54.6287 39.4895 175.4138 71 I 4.1342 7.6381 116.9291 61.4566 39.3020 175.6293 72 F 4.8359 8.6011 118.7726 55.3073 41.1279 176.3221 73 E 4.0205 8.8943 125.3608 58.7098 29.7678 176.3040 74 N 4.9058 7.7777 116.2075 50.9857 39.6884 172.7447 75 P 4.1068 0.0000 0.0000 61.8210 30.4786 177.6386 76 T 4.1212 7.2337 109.6507 62.2037 71.4904 174.9385 77 T 3.8333 8.3167 118.3338 66.8000 68.3687 176.6225 78 E 3.9227 8.0413 119.8048 59.6802 29.5449 179.0361 79 N 4.4171 7.9488 115.8665 56.4660 38.5730 177.6249 80 I 3.4913 7.6920 121.0171 64.0713 36.9839 178.3524 81 A 4.1347 8.1587 121.8886 55.1259 18.2295 179.7288 82 L 4.1144 8.4289 117.9104 57.5597 41.6821 179.2967 83 W 4.2674 8.7715 128.7254 60.7625 30.6943 178.1135 84 I 3.7412 8.4291 119.6453 64.3735 36.6538 178.4741 85 G 3.8186 8.4827 106.8273 48.0576 0.0000 175.5271 86 E 3.8140 8.2277 120.6596 59.2898 29.3365 179.7318 87 R 3.7762 7.1806 115.9342 58.6149 30.2243 178.9242 88 I 3.8194 7.5596 120.2059 64.2910 36.9535 178.4723 89 R 3.7881 7.4699 117.6564 58.9387 29.8776 178.0042 90 D 4.4214 7.5220 115.9823 55.3621 41.4276 176.5924 91 K 4.4076 7.4425 116.3301 56.2971 33.5290 176.6350 92 L 4.1635 7.5689 119.2900 53.5296 42.4983 175.1008 93 P 4.4991 0.0000 0.0000 61.7694 32.1190 175.3787 94 P 4.0034 0.0000 0.0000 65.5935 31.1691 177.0326 95 Y 4.5588 7.8702 112.4736 57.5968 38.0142 174.9400 96 V 4.7845 7.1958 111.9724 59.3929 35.7561 174.8739 97 K 4.5313 9.2063 122.5692 54.2836 35.8092 174.9935 98 L 4.2098 8.4314 128.9358 55.5892 42.0647 175.9399 99 K 4.5211 9.2048 128.7985 58.5071 33.6717 176.2607 100 R 5.4155 7.8829 118.1047 55.0827 34.1143 173.6620 101 V 4.9656 9.3117 124.2099 61.2605 35.0869 174.1322 102 V 4.7174 9.0992 127.7215 60.9596 34.4828 173.6899 103 L 5.2022 8.8220 130.3000 53.2372 44.7239 174.7846 104 W 5.0756 9.7628 127.4507 55.3787 31.1453 175.3096 105 E 4.1355 9.5497 127.9866 56.4063 28.7131 176.0590 106 G 3.8929 8.4460 114.3569 44.3338 0.0000 170.8709 107 K 4.0963 8.4483 115.9542 57.4101 32.6278 177.4089 108 D 5.0117 8.1578 116.2001 53.7659 41.6289 175.2167 109 N 5.1588 8.3681 117.3586 51.8115 42.6464 173.7434 110 G 3.8198 8.4631 109.4283 44.7589 0.0000 171.3924 111 V 4.4390 8.3627 119.2144 60.6703 34.7532 173.7828 112 E 4.9649 8.5861 127.1517 54.3441 32.1526 174.4518 113 L 4.4923 9.1931 127.1740 52.7258 44.4223 175.0878 114 E 4.9810 8.0696 123.6749 54.0225 32.6267 175.2672 115 W 4.3570 9.3925 125.8530 56.7901 29.1317 175.6958 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 8.30 4.46 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 2 K 8.44 4.54 0.00 1.84 1.68 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.51 7.81 3 S 9.31 4.89 0.00 3.86 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 4 R 8.91 5.87 0.00 1.72 1.95 0.00 3.27 0.00 0.00 4.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 5 I 8.38 4.78 2.11 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.02 0.77 0.00 0.00 6 I 8.70 5.33 1.96 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 1.45 0.80 1.06 0.00 0.00 7 V 8.77 4.52 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 0.82 0.00 0.00 1.07 0.00 0.00 8 R 8.60 5.25 0.00 1.68 1.88 0.00 3.18 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 9 T 9.05 4.84 4.34 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 1.39 0.00 0.00 10 S 8.57 5.20 0.00 4.00 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 11 F 8.41 5.21 0.00 3.31 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 12 D 9.02 5.61 0.00 2.71 2.62 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 13 A 9.15 4.62 1.53 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 14 A 8.59 5.13 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 15 H 7.91 4.79 0.00 3.12 3.30 0.00 5.61 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.36 4.34 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 H 8.17 4.59 0.00 3.20 3.47 0.00 5.60 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 28 G 8.24 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 0.00 0.00 0.00 0.00 29 H 9.29 4.95 0.00 2.30 2.48 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.95 4.46 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 0.54 0.00 0.00 31 F 8.52 4.71 0.00 1.51 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 9.15 5.23 0.00 3.15 2.99 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 0.00 0.00 0.00 33 L 9.21 5.40 0.00 2.00 1.72 1.16 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 E 9.52 5.18 0.00 2.23 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 2.31 2.33 0.00 35 V 9.00 4.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.04 0.00 0.00 36 A 9.20 5.34 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 37 I 8.66 4.84 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.35 0.94 0.00 0.00 38 E 9.16 4.99 0.00 2.05 1.84 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 2.27 2.43 0.00 39 G 8.19 4.14 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 0.00 0.00 0.00 40 E 8.20 4.43 0.00 2.00 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 2.36 2.32 0.00 41 I 8.07 4.17 1.83 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 1.39 0.45 0.88 0.00 0.00 42 K 8.15 4.37 0.00 1.42 1.43 0.00 1.69 0.00 0.00 1.46 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.18 1.29 7.81 43 N 9.84 4.19 0.00 2.72 2.68 0.00 0.00 7.26 7.98 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 44 G 9.75 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 0.00 0.00 0.00 45 Y 7.44 4.82 0.00 2.94 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 46 V 8.46 3.69 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.92 0.00 0.00 47 M 7.65 4.79 0.00 2.03 1.92 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 2.58 0.00 48 D 8.95 4.07 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.68 4.61 0.00 3.09 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 50 L 8.07 4.08 0.00 1.76 1.74 0.95 1.00 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 51 E 8.69 3.97 0.00 2.22 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 2.36 2.47 0.00 52 L 7.89 3.96 0.00 1.89 1.93 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.24 4.07 0.00 2.04 2.19 0.00 3.17 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 54 K 8.56 3.99 0.00 2.01 2.02 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.72 7.81 55 I 7.96 3.67 2.04 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 1.40 1.24 0.89 0.00 0.00 56 V 8.34 3.63 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 1.13 0.00 0.00 1.07 0.00 0.00 57 E 8.32 4.79 0.00 2.14 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 2.49 0.00 58 E 7.98 4.07 0.00 2.15 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 2.35 2.56 0.00 59 I 7.51 3.93 2.02 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.03 0.77 0.00 0.00 60 T 8.08 3.67 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 1.40 0.00 0.00 61 K 7.98 3.98 0.00 2.18 1.86 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.65 7.81 62 E 7.89 3.87 0.00 2.35 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 2.41 2.40 0.00 63 L 7.75 4.30 0.00 1.09 1.24 0.25 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.42 4.54 0.00 2.79 2.27 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 65 H 9.56 4.10 0.00 3.32 3.49 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.69 4.55 0.00 1.98 1.82 0.00 3.34 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 67 N 8.40 4.69 0.00 2.81 2.72 0.00 0.00 6.91 6.66 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 68 L 9.00 4.13 0.00 1.99 1.67 0.90 0.37 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 69 N 8.26 5.00 0.00 2.99 2.88 0.00 0.00 7.23 6.92 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 70 N 7.90 4.54 0.00 2.68 2.97 0.00 0.00 6.99 7.96 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 71 I 7.64 4.13 1.55 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.17 0.00 0.00 72 F 8.60 4.84 0.00 2.95 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 73 E 8.89 4.02 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 74 N 7.78 4.91 0.00 2.67 2.69 0.00 0.00 6.99 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 75 P 0.00 4.11 0.00 1.99 2.02 0.00 3.84 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 76 T 7.23 4.12 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 1.27 0.00 0.00 77 T 8.32 3.83 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 78 E 8.04 3.92 0.00 2.03 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 2.37 2.42 0.00 79 N 7.95 4.42 0.00 2.68 3.02 0.00 0.00 7.12 6.74 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 80 I 7.69 3.49 1.74 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.26 0.64 0.00 0.00 81 A 8.16 4.13 1.44 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 0.00 0.00 0.00 82 L 8.43 4.11 0.00 2.04 1.89 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 83 W 8.77 4.27 0.00 3.88 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 84 I 8.43 3.74 2.05 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.21 1.01 0.00 0.00 85 G 8.48 3.82 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 0.00 86 E 8.23 3.81 0.00 2.15 1.84 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 2.34 2.47 0.00 87 R 7.18 3.78 0.00 1.19 1.60 0.00 2.21 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.09 0.00 88 I 7.56 3.82 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.69 0.85 0.00 0.00 89 R 7.47 3.79 0.00 1.82 1.79 0.00 2.83 0.00 0.00 2.42 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.25 0.00 90 D 7.52 4.42 0.00 2.49 2.66 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 91 K 7.44 4.41 0.00 1.71 1.76 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.48 7.81 92 L 7.57 4.16 0.00 1.56 1.55 0.82 1.02 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 93 P 0.00 4.50 0.00 2.27 2.20 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 94 P 0.00 4.00 0.00 1.57 1.78 0.00 3.66 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 1.95 2.01 0.00 95 Y 7.87 4.56 0.00 2.95 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 96 V 7.20 4.78 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.97 0.00 0.00 97 K 9.21 4.53 0.00 1.70 1.58 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.35 7.81 98 L 8.43 4.21 0.00 1.40 1.05 0.95 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.20 4.52 0.00 2.02 2.03 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.53 7.81 100 R 7.88 5.42 0.00 2.00 1.81 0.00 3.36 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 101 V 9.31 4.97 2.37 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 1.04 0.00 0.00 1.21 0.00 0.00 102 V 9.10 4.72 2.23 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 0.79 0.00 0.00 1.00 0.00 0.00 103 L 8.82 5.20 0.00 1.83 1.49 1.09 1.02 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 0.00 104 W 9.76 5.08 0.00 3.55 3.45 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 0.00 105 E 9.55 4.14 0.00 2.04 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 1.74 1.72 0.00 106 G 8.45 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 0.00 0.00 0.00 107 K 8.45 4.10 0.00 1.69 1.67 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.94 1.44 7.81 108 D 8.16 5.01 0.00 2.67 2.70 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 0.00 109 N 8.37 5.16 0.00 2.65 2.70 0.00 0.00 6.69 7.60 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 0.00 110 G 8.46 3.82 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 0.00 111 V 8.36 4.44 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 0.95 0.00 0.00 0.92 0.00 0.00 112 E 8.59 4.96 0.00 1.79 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 113 L 9.19 4.49 0.00 1.41 0.65 1.06 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 0.00 114 E 8.07 4.98 0.00 1.82 1.61 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 2.15 2.45 0.00 115 W 9.39 4.36 0.00 3.49 2.97 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 * Residues marked with a * may have inaccurate shift predictions.