NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *12 W 4.6563 8.1327 121.3304 55.7469 30.2726 175.0067 13 L 3.8040 8.7934 126.0800 56.8774 41.8296 175.3686 14 E 4.0303 8.6657 119.0643 59.5769 29.5420 178.7778 15 G 3.6084 8.2463 105.9758 47.7169 0.0000 175.8763 16 I 4.0301 8.0246 115.8197 63.3498 37.6176 178.5721 17 R 4.2173 7.9286 119.7271 59.2960 30.1728 178.7248 18 K 3.1910 7.7044 118.8727 58.6153 32.0230 178.6991 19 W 3.9913 7.9219 128.8843 60.5070 30.6912 177.2020 20 Y 3.1702 9.0886 120.6434 60.6455 38.0901 177.2056 21 Y 3.8306 8.3632 120.7366 61.1199 38.5773 178.2122 22 N 4.0689 7.6179 115.0184 55.8290 38.6831 177.0995 23 A 3.6037 6.8938 121.4368 54.5861 18.3324 179.0478 24 A 3.5990 7.2368 118.8815 53.7255 18.6790 179.0109 25 G 3.4802 6.9512 103.6981 46.9521 0.0000 175.3515 26 F 4.2131 6.6548 116.5266 59.0034 37.7762 177.0079 27 N 4.5227 6.9717 117.7034 55.7723 37.1080 176.9983 28 K 2.7986 7.2638 120.0935 57.6836 31.6856 178.0235 29 L 4.5938 7.3266 117.5864 53.8220 41.9419 177.1253 30 G 3.9726 8.0098 107.2858 45.7516 0.0000 173.9791 31 L 4.5908 7.6631 118.3703 54.0399 43.0146 175.9542 32 M 4.9458 9.3302 120.5586 53.6252 34.5097 177.2713 33 R 3.0413 9.4507 121.8437 59.9874 29.7258 178.7578 34 D 4.2443 7.9639 117.0867 56.7965 40.5085 178.0113 35 D 4.5903 8.1310 119.1314 56.2719 40.9002 177.4516 36 T 4.2336 7.2254 108.4337 60.4387 69.6654 174.8245 37 I 3.6999 6.6123 121.2974 61.1675 38.6242 174.7976 38 H 4.2768 8.5598 126.4440 55.9613 30.2084 174.5974 39 E 4.1473 8.5935 127.1427 55.7397 29.3083 175.1858 40 N 5.0707 8.0996 122.4476 50.6113 40.5247 174.7367 41 D 4.3308 8.5876 116.4585 57.7315 40.6462 178.5693 42 D 4.3451 8.1131 118.9338 57.4132 40.8690 178.7696 43 V 3.5939 8.3820 118.9576 65.9644 31.5087 178.1245 44 K 3.9468 8.2873 118.4289 59.5109 31.8407 178.9387 45 E 3.9460 8.3809 119.3301 59.1900 29.3216 178.7333 46 A 4.1036 7.9338 120.0583 55.2355 18.8325 179.3952 47 I 3.8589 8.1609 118.7357 64.4740 36.9416 178.6513 48 R 3.9507 7.9020 118.8089 59.0814 29.9937 178.0277 49 R 4.1674 7.4693 115.2633 56.0231 30.7762 176.9146 50 L 3.4726 6.7906 119.4073 53.4767 42.4238 175.9430 51 P 4.4485 0.0000 0.0000 62.3301 33.4069 177.1835 52 E 3.9256 8.7886 119.4900 59.9405 29.4335 179.6725 53 N 4.3488 8.1314 116.0463 56.1728 37.4187 177.0336 54 L 3.8503 7.8356 121.0487 57.2092 41.6880 178.7778 55 Y 3.7981 8.0158 119.5376 60.8721 38.8599 177.6461 56 D 4.4352 8.7114 120.2546 57.4985 40.8340 178.6584 57 D 4.3586 8.2015 119.4478 57.1517 40.7432 178.6896 58 R 3.6836 7.6951 119.2054 59.3074 29.9881 178.4977 59 V 3.3824 7.4795 117.9926 66.1536 31.4461 177.7922 60 F 3.9924 8.2617 120.1222 61.2352 39.1457 177.2940 61 R 3.8329 8.2219 117.8929 59.2327 29.7866 179.1363 62 I 3.6128 7.8329 119.7569 64.1132 37.0727 178.4100 63 K 3.8006 8.0901 120.8384 59.4171 32.0395 178.8737 64 R 3.5872 7.7854 119.1883 59.1361 29.9043 178.4160 65 A 3.9379 7.9425 120.7946 55.0738 18.4042 179.6287 66 L 3.9079 8.2070 117.9896 57.8133 41.4961 179.2779 67 D 4.2924 7.9965 118.1130 57.3201 41.1795 178.3429 68 L 3.9849 7.8355 119.4909 57.7262 41.5939 179.4192 69 S 4.0626 8.1903 113.2379 61.5527 62.1047 175.8772 70 M 4.0506 7.9636 119.9453 58.1746 32.0440 177.4300 71 R 4.3140 7.5646 115.4264 54.9481 30.8231 176.0318 72 Q 3.4595 7.8940 116.7846 57.3879 26.9074 172.9125 73 Q 4.9328 8.4835 114.7578 54.0524 32.4129 174.9074 74 I 4.7749 7.8875 111.9150 59.1805 41.0392 175.0187 75 L 4.5217 8.6205 122.8523 53.4825 42.7417 175.6490 76 P 4.3943 0.0000 0.0000 62.2431 32.1637 177.5917 77 K 2.0000 8.5253 123.2758 58.8325 31.8722 178.4770 78 E 3.9174 7.8013 114.9482 58.5474 29.5529 177.2717 79 Q 4.4818 7.9766 117.2718 55.4023 29.2753 175.9424 80 W 4.7361 7.7578 119.2090 56.5365 29.6780 176.3492 81 T 4.1098 8.6343 119.0743 63.9242 68.7352 173.8869 82 K 4.5714 8.6344 125.2630 55.2123 33.6854 176.4572 83 Y 3.0836 8.9194 125.3737 60.7070 38.5248 178.5461 84 E 3.7659 8.1990 116.5204 58.4613 29.6405 177.4962 85 E 4.3980 7.7223 116.2295 56.0039 30.4694 175.6052 86 D 4.5742 7.6226 119.9491 53.8765 41.6619 175.4119 87 K 4.6177 8.3809 124.8318 54.5286 35.7362 176.5847 88 S 4.4794 8.4086 116.7618 57.4287 60.9234 173.2955 89 Y 4.3797 8.0028 125.6572 58.9104 38.6231 177.8039 90 L 4.2780 7.3706 122.1879 57.0464 42.0187 177.8587 91 E 3.8832 7.9040 119.8434 59.0636 29.5452 177.2483 92 P 4.1132 0.0000 0.0000 65.9671 31.0770 177.9582 93 Y 4.1362 7.7074 115.9237 60.8166 38.0372 177.5178 94 L 3.9989 8.2244 121.4246 57.9542 42.2043 178.7524 95 K 3.8811 8.2615 119.7947 59.5984 32.0106 178.4045 96 E 3.9551 7.8633 118.1794 59.1081 29.5555 178.8633 97 V 3.5998 7.8181 118.3813 66.1274 31.5067 178.1512 98 I 3.7529 7.9858 119.6340 64.2302 36.8920 178.3720 99 R 3.8875 8.0810 119.6192 59.4428 29.9074 178.4174 100 E 3.9620 8.4555 118.6172 59.4801 29.4021 179.3766 101 R 3.9138 8.0500 118.6916 59.3062 30.0571 178.6419 102 K 3.9634 8.3810 118.6484 59.4536 32.0662 178.8224 103 E 4.0411 8.4149 119.5808 59.4727 29.5659 179.1649 104 R 4.0306 8.1041 118.0769 59.3687 29.9139 178.9069 105 E 4.0639 8.3685 117.6848 59.2597 29.6841 179.0476 106 E 4.1201 8.6315 118.9779 59.4258 29.1443 179.2946 107 W 4.0176 8.4319 118.6556 59.8638 28.8998 178.3246 108 A 3.8731 8.1420 119.2798 54.3094 17.8394 179.0872 109 K 4.1791 7.9099 116.4002 58.2423 32.6311 177.0071 110 K 3.9418 7.3184 122.0301 56.9581 32.0862 176.2150 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 *12 W 8.13 4.66 0.00 2.44 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.79 3.80 0.00 1.84 1.74 0.94 0.58 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 14 E 8.67 4.03 0.00 2.16 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 2.47 2.57 0.00 15 G 8.25 3.61 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 0.00 0.00 0.00 16 I 8.02 4.03 2.01 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 1.82 0.87 0.89 0.00 0.00 17 R 7.93 4.22 0.00 2.03 2.08 0.00 3.58 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.77 0.00 18 K 7.70 3.19 0.00 1.21 1.62 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.19 7.81 19 W 7.92 3.99 0.00 3.44 3.41 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 20 Y 9.09 3.17 0.00 3.30 3.20 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 21 Y 8.36 3.83 0.00 3.21 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 22 N 7.62 4.07 0.00 2.70 2.71 0.00 0.00 7.06 6.72 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 23 A 6.89 3.60 0.27 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 24 A 7.24 3.60 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 6.95 3.48 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 26 F 6.65 4.21 0.00 3.16 3.20 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 27 N 6.97 4.52 0.00 3.28 2.78 0.00 0.00 6.30 6.61 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 28 K 7.26 2.80 0.00 1.43 1.22 0.00 1.08 0.00 0.00 0.98 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.30 0.25 7.81 29 L 7.33 4.59 0.00 1.71 1.64 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.01 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 0.00 0.00 0.00 31 L 7.66 4.59 0.00 1.92 1.61 0.90 0.97 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 32 M 9.33 4.95 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 33 R 9.45 3.04 0.00 2.07 2.03 0.00 3.22 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.94 0.00 34 D 7.96 4.24 0.00 2.11 2.11 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 35 D 8.13 4.59 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.23 4.23 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 0.82 0.00 0.00 37 I 6.61 3.70 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 1.16 0.78 0.91 0.00 0.00 38 H 8.56 4.28 0.00 3.09 3.20 0.00 5.97 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.59 4.15 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 40 N 8.10 5.07 0.00 2.89 2.90 0.00 0.00 6.20 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 41 D 8.59 4.33 0.00 2.71 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 42 D 8.11 4.35 0.00 2.84 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 43 V 8.38 3.59 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.03 0.00 0.00 44 K 8.29 3.95 0.00 1.97 1.85 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.59 1.60 7.81 45 E 8.38 3.95 0.00 2.17 2.13 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 2.32 2.40 0.00 46 A 7.93 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.16 3.86 2.07 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 1.46 1.07 1.06 0.00 0.00 48 R 7.90 3.95 0.00 1.99 2.12 0.00 3.23 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 49 R 7.47 4.17 0.00 1.97 2.04 0.00 3.32 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 50 L 6.79 3.47 0.00 1.75 1.51 1.06 0.71 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 P 0.00 4.45 0.00 2.42 2.21 0.00 3.46 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 2.08 2.15 0.00 52 E 8.79 3.93 0.00 1.99 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 2.37 2.33 0.00 53 N 8.13 4.35 0.00 2.90 3.08 0.00 0.00 6.17 6.67 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 54 L 7.84 3.85 0.00 1.67 1.61 1.09 0.73 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 55 Y 8.02 3.80 0.00 3.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.71 4.44 0.00 2.72 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 57 D 8.20 4.36 0.00 2.73 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 58 R 7.70 3.68 0.00 1.64 1.86 0.00 3.04 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.76 0.00 59 V 7.48 3.38 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 1.03 0.00 0.00 0.52 0.00 0.00 60 F 8.26 3.99 0.00 3.20 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 8.22 3.83 0.00 1.99 1.94 0.00 3.42 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 62 I 7.83 3.61 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.84 0.00 0.00 63 K 8.09 3.80 0.00 1.80 1.59 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.36 7.81 64 R 7.79 3.59 0.00 1.13 1.73 0.00 3.20 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 65 A 7.94 3.94 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 66 L 8.21 3.91 0.00 1.60 1.68 0.87 0.76 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 67 D 8.00 4.29 0.00 2.84 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 68 L 7.84 3.98 0.00 1.88 1.90 0.94 0.79 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 69 S 8.19 4.06 0.00 3.85 3.99 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 70 M 7.96 4.05 0.00 2.19 2.06 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 2.60 2.57 0.00 71 R 7.56 4.31 0.00 1.76 1.94 0.00 3.37 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 72 Q 7.89 3.46 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 73 Q 8.48 4.93 0.00 1.84 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 74 I 7.89 4.77 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 0.82 0.00 0.00 75 L 8.62 4.52 0.00 1.88 1.83 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.39 0.00 2.15 1.99 0.00 3.81 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 2.13 2.10 0.00 77 K 8.53 2.00 0.00 0.92 1.27 0.00 0.96 0.00 0.00 1.44 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.80 0.21 7.81 78 E 7.80 3.92 0.00 2.06 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 2.21 2.23 0.00 79 Q 7.98 4.48 0.00 2.29 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 80 W 7.76 4.74 0.00 3.43 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.63 4.11 4.51 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 1.45 0.00 0.00 82 K 8.63 4.57 0.00 1.88 1.79 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.59 1.50 7.81 83 Y 8.92 3.08 0.00 2.57 2.85 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 84 E 8.20 3.77 0.00 1.97 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 0.00 2.38 2.51 0.00 85 E 7.72 4.40 0.00 1.99 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 2.26 2.23 0.00 86 D 7.62 4.57 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.38 4.62 0.00 1.79 1.68 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.34 7.81 88 S 8.41 4.48 0.00 3.78 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.00 4.38 0.00 3.18 3.15 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 0.00 0.00 0.00 90 L 7.37 4.28 0.00 1.11 1.52 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 91 E 7.90 3.88 0.00 2.06 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 2.29 2.33 0.00 92 P 0.00 4.11 0.00 1.85 2.13 0.00 3.79 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 1.77 1.95 0.00 93 Y 7.71 4.14 0.00 3.22 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.22 4.00 0.00 1.78 1.67 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.26 3.88 0.00 1.89 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 96 E 7.86 3.96 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 97 V 7.82 3.60 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 98 I 7.99 3.75 2.02 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 1.42 0.75 0.92 0.00 0.00 99 R 8.08 3.89 0.00 2.09 2.07 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 100 E 8.46 3.96 0.00 2.23 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 2.43 0.00 101 R 8.05 3.91 0.00 1.91 2.07 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 102 K 8.38 3.96 0.00 1.98 1.87 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.61 7.81 103 E 8.41 4.04 0.00 2.17 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 2.46 2.57 0.00 104 R 8.10 4.03 0.00 2.11 1.99 0.00 3.16 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 1.62 1.91 0.00 105 E 8.37 4.06 0.00 2.11 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 2.38 2.64 0.00 106 E 8.63 4.12 0.00 2.21 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 0.00 2.54 2.52 0.00 107 W 8.43 4.02 0.00 3.55 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 0.00 108 A 8.14 3.87 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 K 7.91 4.18 0.00 1.85 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.72 7.81 110 K 7.32 3.94 0.00 1.58 1.60 0.00 0.79 0.00 0.00 1.13 0.00 0.00 2.62 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.26 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.