NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7183 8.2714 118.2147 52.3381 39.0150 174.7712 12 G 3.4321 8.4618 104.1073 47.0663 0.0000 170.6769 13 V 3.6626 8.0443 120.3354 65.9258 31.9839 175.9183 14 H 4.2301 8.8782 118.3651 59.3562 29.7170 177.0385 15 D 4.2542 7.8675 120.8206 57.2710 40.4474 178.3405 16 F 4.0692 8.3433 121.1094 61.5441 39.3504 177.3358 17 I 3.7659 8.0072 119.2035 64.3557 36.8955 178.3796 18 L 3.9783 8.0166 119.9068 57.7726 41.4566 179.6527 19 V 3.5524 7.8599 118.1582 66.2640 31.5140 178.3376 20 R 3.9291 7.6218 117.2425 58.7444 30.0299 178.8524 21 A 4.0056 8.4619 121.4604 55.4229 18.3461 179.8538 22 T 3.9127 8.2459 108.2960 64.6989 68.8561 176.5156 23 A 3.9370 8.1676 123.6638 55.1910 18.3604 179.7397 24 I 3.6896 7.7162 117.8639 64.4388 37.1769 178.7848 25 V 3.6981 7.7024 118.6639 66.2334 31.3198 178.1575 26 L 4.1254 8.3456 118.8980 57.9590 41.3824 179.6819 27 T 3.9326 8.1969 116.0108 66.5916 68.3648 176.6969 28 L 4.1556 8.0807 120.9540 58.0423 41.6184 178.9456 29 Y 3.2989 8.3177 119.5499 60.5384 38.5715 178.2057 30 I 3.6668 8.2178 121.0838 64.1909 37.1889 178.4843 31 I 3.7396 7.9931 120.8559 64.3652 36.9467 177.6036 32 Y 4.1930 8.1850 120.3890 61.1899 38.6274 178.3271 33 M 3.8753 8.0155 119.4713 58.3824 32.0345 178.9792 34 V 3.8376 8.2793 118.9579 65.8092 31.4351 177.8533 35 G 3.7773 8.3089 104.9871 48.3373 0.0000 174.6431 36 F 3.8820 7.9443 123.3875 60.7189 38.9400 176.8463 37 F 3.6639 8.0090 116.7910 60.5132 38.9518 177.2234 38 A 4.5435 7.8278 117.7325 51.6646 19.6306 178.3933 39 T 4.4823 7.5840 109.1899 61.5398 68.9226 174.4029 40 S 4.2862 7.7216 110.7756 58.0769 65.2369 175.5852 41 G 3.5370 8.1927 108.3450 47.4651 0.0000 172.1394 42 E 3.6977 8.2967 118.0317 56.4410 29.7235 178.1603 43 L 4.4030 8.1620 125.2252 53.6587 40.6055 176.8059 44 T 4.1653 7.7963 116.5586 61.5492 69.7425 173.1780 45 Y 4.3461 8.7888 126.0527 60.9454 38.6684 178.3766 46 E 3.8155 8.3900 120.0475 59.5618 29.8637 179.3790 47 V 3.7372 7.8252 111.9096 63.7703 31.6099 178.2114 48 W 4.4037 8.3430 128.4104 60.8109 30.7678 177.9787 49 I 3.7771 8.0614 118.6549 63.6732 37.0901 178.0134 50 G 3.6040 8.0135 106.3043 47.3987 0.0000 175.3443 51 F 4.0730 8.0606 122.8478 61.1298 39.2493 176.9290 52 F 3.9226 7.3097 113.4125 58.5083 38.8380 176.7120 53 A 4.1941 7.4086 119.8702 52.7084 19.3337 177.8933 54 S 4.0345 7.1548 113.0998 58.0611 63.2656 174.7749 55 A 3.9461 8.7772 129.2280 55.2951 18.1328 179.5608 56 F 3.6977 8.2002 118.5299 61.8408 39.3631 177.4171 57 T 3.9064 7.6633 115.2975 66.3635 68.1397 176.9078 58 K 3.8564 7.9645 120.4107 59.4759 32.0455 179.5551 59 V 3.4169 7.7941 118.5253 65.9800 31.3710 177.8476 60 F 4.1968 7.9001 120.3765 61.5953 39.1225 177.2775 61 T 3.5168 8.2290 115.6483 66.4168 68.1593 176.8205 62 L 3.8125 7.7729 120.9995 57.5355 41.5156 179.2687 63 L 4.0517 8.2237 120.3629 58.0032 41.9750 178.8601 64 A 3.8266 8.1257 121.1224 55.1139 18.2005 179.5968 65 L 3.9447 7.8096 117.4754 57.9229 41.6352 179.8493 66 F 4.1467 8.5394 118.0130 60.5989 38.8695 177.8029 67 S 4.2258 8.4611 114.9676 61.7598 62.6099 176.7872 68 I 3.7561 8.2242 122.7825 64.2748 36.7556 177.8934 69 L 4.0268 8.0678 121.0707 58.5022 41.8731 179.2783 70 I 3.8518 7.9090 119.2883 64.6821 37.0547 178.0199 71 H 4.1085 8.9681 119.0789 59.4204 29.8352 177.2590 72 A 4.1043 8.6489 122.7443 54.3411 18.1194 179.5476 73 W 4.4104 8.1329 127.2663 60.8288 30.8925 178.1947 74 I 3.3024 7.7102 119.8151 64.1442 36.5895 178.3241 75 G 3.7143 8.1204 106.5762 48.5055 0.0000 175.5478 76 M 4.1208 8.5333 122.1378 57.4473 31.9523 178.7665 77 W 3.7186 7.8589 128.6855 60.3323 30.4366 178.1132 78 Q 3.6677 8.1105 118.1245 58.6093 28.1370 178.9169 79 V 3.4221 7.5697 119.1468 65.9758 31.5663 178.1360 80 L 3.9665 7.9185 119.1902 57.7732 41.2724 178.9416 81 T 3.8377 7.0852 106.6969 62.7139 68.8869 175.7999 82 D 4.2067 6.8510 120.6010 56.6079 41.3856 177.2661 83 Y 5.0271 7.2209 113.3599 56.7585 39.4970 175.9276 84 V 4.2372 7.6945 119.8994 60.9037 31.8951 175.3646 85 K 4.0315 8.6075 126.5699 58.6487 32.5491 177.0126 86 P 4.2168 0.0000 0.0000 62.5781 31.9638 176.4708 87 L 3.8926 8.6741 124.5833 58.3096 42.1081 178.6255 88 A 4.0021 8.0071 119.9953 55.2328 18.3569 179.1894 89 L 3.9242 7.8689 118.2707 58.1367 42.1821 179.0539 90 R 3.9024 8.0309 118.7018 59.4439 30.0127 178.3361 91 L 4.0949 8.2961 119.2010 58.2239 41.6479 179.5101 92 M 4.0748 8.1013 118.4328 58.4647 31.9094 178.8460 93 L 4.0712 8.0728 119.0616 57.8783 41.7120 179.5777 94 Q 4.3120 8.6730 118.4981 58.8338 28.6078 178.4569 95 L 3.8361 8.2355 121.6250 58.2939 42.0624 179.0951 96 V 3.5527 7.8190 117.9136 66.1583 31.3132 178.0683 97 I 3.6980 7.9590 119.3663 64.3855 36.9409 178.6448 98 V 3.3308 7.9897 119.4668 65.7799 31.2503 178.1114 99 V 3.4386 7.9414 118.0767 65.8619 31.2884 177.6859 100 A 3.7114 8.0122 120.5566 55.1869 18.2186 179.4846 101 L 3.5525 7.7395 117.5348 57.9907 41.7008 180.1138 102 V 3.5740 8.0212 118.4322 65.7197 31.3075 178.3152 103 V 3.6248 8.0269 118.7017 65.9655 31.2740 177.3635 104 Y 4.5118 8.2635 117.0561 61.3477 37.7771 179.0239 105 V 3.5107 7.6724 118.2112 66.2084 31.7907 178.1375 106 I 3.8358 7.9167 119.4981 64.5277 36.9196 177.8272 107 Y 4.2955 9.1038 121.2863 60.6139 38.6305 178.1096 108 G 3.6707 8.4876 106.9126 48.1398 0.0000 175.5629 109 F 3.9284 8.3499 120.1118 60.0668 38.6295 177.9159 110 V 3.6895 7.3974 116.8501 65.5567 31.6836 178.0698 111 V 3.5076 7.8062 118.4590 65.9669 31.4394 178.4957 112 V 3.7926 7.7765 114.5689 64.5268 31.3826 178.8902 *113 W 4.3717 7.7608 120.2578 59.7881 28.0494 179.0973 114 G 4.3135 7.2561 102.2341 45.1775 0.0000 173.9436 115 V 4.0220 7.6197 126.1679 62.7448 31.9344 175.0618 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 11 N 8.27 4.72 0.00 2.97 3.05 0.00 0.00 6.01 6.23 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 12 G 8.46 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.04 3.66 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 1.05 0.00 0.00 0.90 0.00 0.00 14 H 8.88 4.23 0.00 3.35 3.44 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 15 D 7.87 4.25 0.00 2.85 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 16 F 8.34 4.07 0.00 3.25 3.25 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 17 I 8.01 3.77 1.94 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 1.69 0.75 0.95 0.00 0.00 18 L 8.02 3.98 0.00 1.62 1.69 0.71 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.86 3.55 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 0.90 0.00 0.00 0.86 0.00 0.00 20 R 7.62 3.93 0.00 1.66 1.84 0.00 2.21 0.00 0.00 2.68 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.36 0.00 21 A 8.46 4.01 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 22 T 8.25 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 1.30 0.00 0.00 23 A 8.17 3.94 1.46 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 24 I 7.72 3.69 2.04 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 1.43 0.90 0.95 0.00 0.00 25 V 7.70 3.70 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 1.16 0.00 0.00 1.02 0.00 0.00 26 L 8.35 4.13 0.00 1.72 1.75 0.88 0.93 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 27 T 8.20 3.93 4.45 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 1.26 0.00 0.00 28 L 8.08 4.16 0.00 2.20 2.08 1.02 0.88 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 29 Y 8.32 3.30 0.00 2.63 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 30 I 8.22 3.67 2.10 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 1.58 0.65 0.94 0.00 0.00 31 I 7.99 3.74 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 1.00 0.00 0.00 32 Y 8.19 4.19 0.00 3.24 2.94 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 0.00 0.00 0.00 33 M 8.02 3.88 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 34 V 8.28 3.84 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 1.10 0.00 0.00 0.98 0.00 0.00 35 G 8.31 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 0.00 0.00 0.00 36 F 7.94 3.88 0.00 2.31 2.53 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 37 F 8.01 3.66 0.00 3.16 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 38 A 7.83 4.54 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 39 T 7.58 4.48 4.15 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 1.20 0.00 0.00 40 S 7.72 4.29 0.00 3.51 3.10 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 41 G 8.19 3.54 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 0.00 0.00 0.00 42 E 8.30 3.70 0.00 1.97 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 2.31 2.33 0.00 43 L 8.16 4.40 0.00 1.60 1.63 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.80 4.17 4.30 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 1.28 0.00 0.00 45 Y 8.79 4.35 0.00 3.14 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 46 E 8.39 3.82 0.00 2.18 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 2.38 0.00 47 V 7.83 3.74 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 0.78 0.00 0.00 1.13 0.00 0.00 48 W 8.34 4.40 0.00 3.57 3.30 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 49 I 8.06 3.78 1.36 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 1.38 1.11 0.74 0.00 0.00 50 G 8.01 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 51 F 8.06 4.07 0.00 2.60 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 52 F 7.31 3.92 0.00 2.71 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 53 A 7.41 4.19 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 54 S 7.15 4.03 0.00 3.72 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 55 A 8.78 3.95 1.31 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 56 F 8.20 3.70 0.00 3.14 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 57 T 7.66 3.91 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 0.23 0.00 0.00 58 K 7.96 3.86 0.00 1.88 1.76 0.00 1.62 0.00 0.00 1.52 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.60 7.81 59 V 7.79 3.42 1.78 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 0.86 0.00 0.00 0.87 0.00 0.00 60 F 7.90 4.20 0.00 2.80 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 61 T 8.23 3.52 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 1.25 0.00 0.00 62 L 7.77 3.81 0.00 1.54 1.49 0.33 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.22 4.05 0.00 1.78 1.95 0.90 1.03 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 64 A 8.13 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.81 3.94 0.00 1.74 1.61 0.88 0.95 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 66 F 8.54 4.15 0.00 3.24 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 67 S 8.46 4.23 0.00 4.05 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 68 I 8.22 3.76 2.09 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 1.47 0.76 1.08 0.00 0.00 69 L 8.07 4.03 0.00 1.79 2.00 0.91 0.93 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 70 I 7.91 3.85 2.10 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 1.52 0.87 0.98 0.00 0.00 71 H 8.97 4.11 0.00 3.29 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.65 4.10 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 73 W 8.13 4.41 0.00 3.45 3.36 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 74 I 7.71 3.30 1.90 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 1.27 0.78 0.83 0.00 0.00 75 G 8.12 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 76 M 8.53 4.12 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.94 0.00 77 W 7.86 3.72 0.00 1.92 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 78 Q 8.11 3.67 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.75 0.00 79 V 7.57 3.42 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 1.19 0.00 0.00 1.01 0.00 0.00 80 L 7.92 3.97 0.00 1.52 1.60 1.02 0.93 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 81 T 7.09 3.84 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 0.14 0.00 0.00 82 D 6.85 4.21 0.00 1.92 1.57 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 83 Y 7.22 5.03 0.00 2.96 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 84 V 7.69 4.24 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 0.81 0.00 0.00 0.97 0.00 0.00 85 K 8.61 4.03 0.00 1.78 1.83 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.39 7.81 86 P 0.00 4.22 0.00 2.16 2.02 0.00 3.61 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 2.12 2.16 0.00 87 L 8.67 3.89 0.00 1.76 1.68 0.96 1.26 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 88 A 8.01 4.00 1.34 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 0.00 0.00 0.00 89 L 7.87 3.92 0.00 1.78 1.84 0.94 0.87 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 90 R 8.03 3.90 0.00 1.94 2.07 0.00 3.01 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 1.67 1.67 0.00 91 L 8.30 4.09 0.00 1.74 1.76 0.96 0.92 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 92 M 8.10 4.07 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.93 0.00 93 L 8.07 4.07 0.00 1.92 1.78 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.67 4.31 0.00 2.42 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.95 2.74 0.00 95 L 8.24 3.84 0.00 1.81 1.88 0.86 1.05 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 96 V 7.82 3.55 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 1.06 0.00 0.00 0.96 0.00 0.00 97 I 7.96 3.70 2.27 0.00 0.00 1.00 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 0.70 1.17 0.00 0.00 98 V 7.99 3.33 1.74 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 0.74 0.00 0.00 -0.27 0.00 0.00 99 V 7.94 3.44 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 0.93 0.00 0.00 0.91 0.00 0.00 100 A 8.01 3.71 1.10 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 0.00 101 L 7.74 3.55 0.00 1.73 1.72 1.16 1.17 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 0.00 102 V 8.02 3.57 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 0.94 0.00 0.00 0.86 0.00 0.00 103 V 8.03 3.62 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 1.02 0.00 0.00 0.95 0.00 0.00 104 Y 8.26 4.51 0.00 3.15 2.94 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 0.00 0.00 0.00 105 V 7.67 3.51 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 0.53 0.00 0.00 0.73 0.00 0.00 106 I 7.92 3.84 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.12 0.94 0.00 0.00 107 Y 9.10 4.30 0.00 3.12 3.10 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 0.00 108 G 8.49 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 0.00 0.00 0.00 109 F 8.35 3.93 0.00 3.33 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 0.00 110 V 7.40 3.69 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 0.73 0.00 0.00 1.02 0.00 0.00 111 V 7.81 3.51 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 0.78 0.00 0.00 0.27 0.00 0.00 112 V 7.78 3.79 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 0.81 0.00 0.00 0.85 0.00 0.00 *113 W 7.76 4.37 0.00 2.56 2.20 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 0.00 114 G 7.26 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 0.00 115 V 7.62 4.02 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 0.77 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.