NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5200 0.0000 0.0000 61.9756 33.5030 175.4447 3 N 4.9118 8.3847 117.3118 51.8593 42.6946 171.3749 4 T 5.1424 9.3999 122.3232 61.8523 71.8753 173.0117 5 I 4.6810 8.6889 125.8183 59.5260 40.9277 174.7452 6 R 5.0852 8.5791 123.5271 54.5281 33.6087 174.9020 7 L 4.9985 9.0360 122.5254 53.3429 46.1472 175.0405 8 H 5.4009 8.6659 120.6963 54.9669 33.1721 172.4799 9 R 4.5630 8.8307 122.5836 55.0394 35.1109 173.8062 10 V 4.6752 8.2280 121.9465 61.3462 33.2421 174.8246 11 L 4.8942 9.0095 127.3059 52.4094 44.8813 177.1855 12 S 4.7701 8.9239 119.1857 56.0341 61.7993 173.4242 13 A 4.6833 7.0558 123.1171 49.9723 22.7119 174.2708 14 P 4.5284 0.0000 0.0000 61.7509 32.5016 175.6398 15 P 4.2303 0.0000 0.0000 66.1534 31.2367 178.3510 16 E 3.9611 8.1848 117.3079 59.2469 29.6376 178.7071 17 R 3.9375 8.1780 118.8517 59.3373 29.9445 178.6635 18 V 3.5860 7.7510 116.6067 66.0300 31.9047 176.6774 19 Y 4.3394 8.4029 119.5999 60.9815 38.5887 178.1265 20 R 3.9273 8.4308 119.2055 59.6220 29.9446 178.2799 21 A 4.2492 7.8134 118.9521 54.6743 18.3991 178.8593 22 F 4.6205 8.1434 114.7554 58.8315 39.3050 176.2749 23 L 4.4660 7.5418 116.8174 55.4311 44.0124 176.1140 24 D 4.3484 8.5193 119.5270 53.6461 41.3967 174.6232 25 P 4.1935 0.0000 0.0000 66.0010 31.3756 178.5704 26 L 4.0216 8.2204 117.3809 57.4796 41.4477 179.4491 27 A 4.1568 8.0689 120.3569 55.1415 18.5191 179.3823 28 L 3.3243 8.3023 117.7375 57.8758 41.4795 179.7412 29 A 3.9294 7.7975 119.2418 54.4751 18.2557 179.1804 30 K 4.0751 7.3322 116.8621 58.6421 32.6026 178.1828 31 W 4.7531 8.1522 116.0865 57.6397 28.5628 178.5613 32 L 3.0046 6.7733 119.5988 56.5732 41.1153 175.9617 33 P 2.9700 0.0000 0.0000 61.2875 31.6999 174.4333 34 P 4.3689 0.0000 0.0000 61.8663 31.9583 175.0935 35 E 4.1417 8.5652 119.2115 58.2390 29.6465 178.3541 36 G 3.8501 9.0024 110.4550 45.2783 0.0000 172.5010 37 F 5.3054 7.7891 117.3523 55.6357 42.0426 175.0382 38 V 4.5738 8.7705 113.7349 59.7087 35.7025 174.0977 39 C 5.4160 8.5199 121.2960 57.6063 34.4328 172.7487 40 K 4.5348 8.9510 127.3408 54.6177 33.7210 175.2832 41 V 3.9708 8.4345 128.0661 62.1488 31.5155 175.3374 42 L 4.3622 8.6709 128.7808 56.3974 42.6921 176.8232 43 E 4.7357 7.6958 117.8767 54.6317 33.0151 174.9370 44 H 4.9305 7.9208 120.2936 54.9465 27.9494 174.6319 45 D 4.5648 9.2393 121.3844 54.2076 40.8257 175.2482 46 A 4.0322 8.2195 127.7503 49.7092 17.0279 176.7315 47 R 4.4624 7.2886 116.1346 54.1665 32.2749 175.6727 48 V 3.9027 8.3173 119.7382 64.9672 31.6519 175.9256 49 G 4.1037 9.3245 117.1388 45.1683 0.0000 173.9011 50 G 4.1176 8.8187 106.9157 45.7717 0.0000 172.7741 51 A 5.5308 8.6102 122.7140 50.2901 22.1821 175.3966 52 Y 5.1882 8.3522 117.0137 55.4293 41.9074 174.1889 53 K 4.8990 9.2752 121.1955 54.9107 36.6216 174.3509 *55 E 4.4291 8.6122 121.4631 56.3248 31.4513 174.2420 56 F 5.7075 9.4530 122.4292 56.2357 41.3905 174.6712 57 L 5.5926 9.0480 122.9269 52.7165 44.9347 175.6715 58 A 3.6936 9.0714 126.4444 51.6349 18.7665 177.9609 59 F 3.9833 8.9908 126.6212 61.4743 39.4423 176.6769 60 A 3.9989 8.1196 120.4988 54.5530 18.6135 178.1424 61 S 4.3040 7.8789 108.6391 59.8926 64.0949 175.3816 62 G 3.9659 8.2768 107.1141 44.0804 0.0000 173.2972 63 Q 4.0780 8.1569 122.3460 56.5951 29.8677 175.8209 64 K 4.9501 8.6297 125.2591 56.4178 34.1809 176.8940 65 H 4.8366 9.3154 119.8159 54.8182 31.7335 172.0036 66 A 5.0217 8.5030 125.0861 50.6964 21.4049 175.4830 67 F 4.9822 7.6152 113.6354 56.3660 41.5597 172.8134 68 G 3.1418 7.4284 105.6920 45.7749 0.0000 172.4980 69 G 4.1209 5.5838 104.6096 45.7370 0.0000 172.1045 70 R 5.1393 7.7738 118.6197 54.5334 35.0010 174.4117 71 Y 4.7910 8.8479 119.5612 58.1313 38.5877 176.2650 72 L 4.5940 9.5259 123.8849 55.5716 44.0622 176.8331 73 E 4.7912 8.1195 116.9852 55.0821 34.2654 174.9742 74 L 5.1171 8.6137 123.4558 53.7668 44.3903 174.6156 75 V 4.1748 8.9961 124.4759 59.9805 33.2907 172.5631 76 P 2.0000 0.0000 0.0000 63.2907 31.2895 176.8797 77 G 3.9125 7.3658 110.1561 45.9911 0.0000 173.1417 78 E 4.7235 8.4025 117.5801 56.3485 34.1630 175.5923 79 R 5.1888 7.7854 117.5043 55.1915 34.0278 173.8244 80 I 5.2360 8.9943 125.6120 59.9452 41.9259 174.1100 81 R 5.1831 9.2632 126.6038 54.9783 33.7593 173.2422 82 Y 5.4802 8.2905 123.0696 56.0173 41.9000 174.2242 83 T 4.7235 8.8783 111.3616 61.0695 71.4592 172.9099 84 D 4.9558 8.8379 120.3241 53.1718 45.1599 174.4070 85 R 4.2663 8.9583 124.3634 54.2546 33.5709 174.2970 86 F 4.4840 8.4226 122.8386 57.1851 39.4445 176.7932 87 D 4.5888 8.3707 124.1940 54.4586 38.2968 176.2804 *93 G 3.7508 7.5487 107.4966 45.5565 0.0000 170.0580 94 D 4.7831 7.9253 119.9362 53.2147 43.8606 173.2316 *96 I 4.1687 8.1904 118.0397 61.5505 38.9284 174.8426 97 T 4.9917 8.2782 117.2527 59.8228 71.5363 172.9992 98 T 4.9258 8.8490 116.0417 59.7817 71.9107 172.6038 99 I 4.8431 9.1982 128.0939 59.5189 39.8018 174.6300 100 T 5.0442 8.6956 116.7009 59.8315 71.2387 172.9176 101 L 5.4014 9.1667 124.7401 53.0906 45.4181 175.2784 102 A 4.7621 8.5358 121.9263 49.7187 22.9237 174.2150 103 P 4.6697 0.0000 0.0000 62.9658 32.4434 175.9310 104 L 4.6310 8.2048 120.3369 53.3013 45.9221 176.8027 105 S 4.0642 8.9073 116.3447 61.7971 62.2892 175.7076 106 C 4.2848 8.0851 113.5732 58.9660 29.6307 174.0538 107 G 4.3167 6.3167 114.2564 45.0490 0.0000 172.1751 108 A 4.8081 7.2780 118.7743 50.2765 24.2029 175.1102 109 D 5.0942 8.9920 120.5980 52.4747 43.5364 174.9074 110 L 5.3286 9.0608 128.1212 53.2216 45.2479 175.1040 111 S 5.1604 8.8991 119.9415 56.6713 66.6526 172.8761 112 I 4.9909 8.9862 123.5867 59.3229 40.9483 174.7215 113 V 4.6700 8.4074 125.3737 59.9003 34.3196 174.1114 114 Q 4.9017 8.9781 127.3497 54.3816 30.9910 174.2471 115 E 4.7118 9.4487 127.0557 54.8592 32.3955 175.8330 116 G 3.8698 8.6021 106.6729 46.7353 0.0000 173.9326 117 I 4.0126 7.8432 121.3449 59.6848 37.9168 174.3833 118 P 4.5429 0.0000 0.0000 62.6643 31.7434 177.3249 119 D 4.4234 8.6892 121.3499 56.8779 40.9884 177.7988 120 A 4.0243 8.0319 121.0731 54.0440 18.5733 177.0735 121 I 4.2563 7.3458 117.0920 58.7307 38.1919 174.0296 122 P 4.3338 0.0000 0.0000 62.0793 31.8483 175.6287 123 P 4.3053 0.0000 0.0000 65.6993 31.1937 178.4382 124 E 4.2492 8.3038 115.9990 59.7152 29.4298 178.9184 125 N 4.4744 8.2869 117.3483 56.1582 38.5457 177.2360 126 C 4.2037 7.9585 117.9241 62.9029 28.1719 175.5660 127 Y 4.3094 8.1124 118.4738 60.9993 37.5895 178.1877 128 L 4.2067 8.3026 120.1793 57.7445 41.7461 179.8164 129 G 3.5494 8.3211 105.6188 47.6997 0.0000 175.7989 130 W 4.2428 8.2591 121.8800 59.5212 29.0914 178.5706 131 Q 4.0892 8.7805 118.4057 59.1628 28.1341 179.1920 132 Q 4.0366 8.1196 118.4375 59.1218 28.7844 178.7529 133 S 4.4960 8.1565 117.4890 61.2690 62.9377 176.9142 134 L 4.1789 9.1451 122.2285 57.5426 41.4053 179.5630 135 K 4.0069 8.0788 119.4217 59.6535 32.1602 179.0136 136 Q 4.0840 8.2008 118.4454 58.6010 28.5157 178.4684 137 L 3.4681 8.3303 121.7349 57.9290 42.0124 178.7628 138 A 3.8684 7.9343 120.4628 55.2497 18.0612 179.4610 139 A 3.9138 7.6880 117.8783 55.0898 18.4659 179.2907 140 L 4.0834 7.4942 118.0082 57.7472 42.3280 178.7562 141 V 3.9578 7.6732 117.7146 63.8052 32.0228 177.8900 142 E 4.3162 8.0634 120.0394 57.2265 29.5955 176.0458 143 P 4.2944 0.0000 0.0000 63.3722 32.1733 175.9275 144 D 4.7764 8.5961 119.4000 55.0614 40.7151 173.9542 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 P 0.00 4.52 0.00 2.33 2.15 0.00 3.87 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 2.10 0.00 3 N 8.38 4.91 0.00 2.82 2.59 0.00 0.00 7.04 6.34 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 4 T 9.40 5.14 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 1.24 0.00 0.00 5 I 8.69 4.68 1.66 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.52 0.39 0.00 0.00 6 R 8.58 5.09 0.00 1.66 1.79 0.00 3.12 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 7 L 9.04 5.00 0.00 1.29 1.46 0.19 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.67 5.40 0.00 3.08 3.11 0.00 5.75 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.83 4.56 0.00 1.71 1.70 0.00 3.19 0.00 0.00 3.12 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 10 V 8.23 4.68 2.06 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 0.79 0.00 0.00 0.92 0.00 0.00 11 L 9.01 4.89 0.00 1.53 1.48 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.92 4.77 0.00 3.87 3.81 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 13 A 7.06 4.68 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 14 P 0.00 4.53 0.00 2.24 2.19 0.00 3.75 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 2.08 1.99 0.00 15 P 0.00 4.23 0.00 2.17 2.30 0.00 3.60 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 2.12 2.19 0.00 16 E 8.18 3.96 0.00 2.06 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 2.39 2.47 0.00 17 R 8.18 3.94 0.00 1.96 2.02 0.00 3.30 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 18 V 7.75 3.59 2.31 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 1.04 0.00 0.00 0.99 0.00 0.00 19 Y 8.40 4.34 0.00 3.22 3.24 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 20 R 8.43 3.93 0.00 2.24 2.14 0.00 3.20 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 21 A 7.81 4.25 1.23 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 0.00 0.00 22 F 8.14 4.62 0.00 3.23 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 23 L 7.54 4.47 0.00 1.47 1.53 0.44 0.78 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 24 D 8.52 4.35 0.00 2.77 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 25 P 0.00 4.19 0.00 2.06 1.93 0.00 3.57 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 26 L 8.22 4.02 0.00 1.79 1.71 0.92 0.89 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 27 A 8.07 4.16 1.52 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 0.00 0.00 28 L 8.30 3.32 0.00 1.72 1.51 0.90 0.37 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 29 A 7.80 3.93 1.33 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 0.00 0.00 30 K 7.33 4.08 0.00 1.90 2.03 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 31 W 8.15 4.75 0.00 3.54 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 32 L 6.77 3.00 0.00 1.35 1.50 0.82 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 2.97 0.00 1.86 1.24 0.00 3.44 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.93 0.00 34 P 0.00 4.37 0.00 2.14 2.11 0.00 2.81 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 35 E 8.57 4.14 0.00 2.10 1.90 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 2.36 2.29 0.00 36 G 9.00 3.85 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 0.00 0.00 0.00 37 F 7.79 5.31 0.00 2.88 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 38 V 8.77 4.57 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 0.65 0.00 0.00 1.14 0.00 0.00 39 C 8.52 5.42 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.95 4.53 0.00 1.79 1.69 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.38 7.81 41 V 8.43 3.97 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 0.89 0.00 0.00 0.90 0.00 0.00 42 L 8.67 4.36 0.00 1.68 1.65 0.85 0.69 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 43 E 7.70 4.74 0.00 1.95 1.72 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 2.47 2.28 0.00 44 H 7.92 4.93 0.00 3.17 3.31 0.00 5.77 0.00 0.00 0.00 0.00 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 9.24 4.56 0.00 2.81 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 A 8.22 4.03 1.09 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 47 R 7.29 4.46 0.00 1.97 1.98 0.00 3.00 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.71 0.00 48 V 8.32 3.90 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 0.91 0.00 0.00 1.00 0.00 0.00 49 G 9.32 4.10 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 0.00 50 G 8.82 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 0.00 0.00 0.00 0.00 51 A 8.61 5.53 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.35 5.19 0.00 2.97 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 53 K 9.28 4.90 0.00 1.56 1.49 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.15 1.10 7.81 *55 E 8.61 4.43 0.00 2.16 2.06 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 2.36 2.41 0.00 56 F 9.45 5.71 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 57 L 9.05 5.59 0.00 1.67 1.65 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 58 A 9.07 3.69 1.06 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 0.00 0.00 59 F 8.99 3.98 0.00 2.96 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 60 A 8.12 4.00 1.23 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 0.00 0.00 61 S 7.88 4.30 0.00 3.95 3.94 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 62 G 8.28 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 63 Q 8.16 4.08 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 64 K 8.63 4.95 0.00 1.71 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.50 7.81 65 H 9.32 4.84 0.00 3.34 3.27 0.00 5.79 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 66 A 8.50 5.02 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.62 4.98 0.00 3.03 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 68 G 7.43 3.14 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 69 G 5.58 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 0.00 0.00 0.00 0.00 70 R 7.77 5.14 0.00 1.77 1.83 0.00 3.10 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 71 Y 8.85 4.79 0.00 3.25 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 72 L 9.53 4.59 0.00 1.54 1.75 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.12 4.79 0.00 1.93 1.83 0.00 0.00 0.00 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 74 L 8.61 5.12 0.00 1.55 1.71 0.73 0.81 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 75 V 9.00 4.17 2.07 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 1.00 0.00 0.00 0.94 0.00 0.00 76 P 0.00 2.00 0.00 1.80 1.63 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 77 G 7.37 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.40 4.72 0.00 1.92 1.88 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 2.17 2.16 0.00 79 R 7.79 5.19 0.00 1.89 1.72 0.00 3.26 0.00 0.00 3.57 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 80 I 8.99 5.24 1.79 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.99 1.19 0.00 0.00 81 R 9.26 5.18 0.00 1.83 1.75 0.00 3.09 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 82 Y 8.29 5.48 0.00 3.01 2.78 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 83 T 8.88 4.72 4.54 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 1.25 0.00 0.00 84 D 8.84 4.96 0.00 2.92 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 0.00 0.00 0.00 0.00 85 R 8.96 4.27 0.00 1.63 1.75 0.00 3.14 0.00 0.00 3.12 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.53 0.00 86 F 8.42 4.48 0.00 2.97 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 87 D 8.37 4.59 0.00 2.74 2.67 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 *93 G 7.55 3.75 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 0.00 0.00 0.00 94 D 7.93 4.78 0.00 2.58 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 *96 I 8.19 4.17 1.82 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 1.37 0.73 0.84 0.00 0.00 97 T 8.28 4.99 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 1.16 0.00 0.00 98 T 8.85 4.93 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 1.12 0.00 0.00 99 I 9.20 4.84 1.51 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 1.10 0.66 0.37 0.00 0.00 100 T 8.70 5.04 4.21 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 0.00 0.00 1.16 0.00 0.00 101 L 9.17 5.40 0.00 1.69 1.58 1.04 0.72 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 0.00 102 A 8.54 4.76 1.19 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 0.00 103 P 0.00 4.67 0.00 1.94 1.99 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 104 L 8.20 4.63 0.00 1.65 1.49 0.95 0.69 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 0.00 105 S 8.91 4.06 0.00 3.82 3.90 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 0.00 106 C 8.09 4.28 0.00 3.14 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 0.00 107 G 6.32 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 0.00 0.00 0.00 0.00 108 A 7.28 4.81 1.27 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 0.00 109 D 8.99 5.09 0.00 2.74 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 0.00 110 L 9.06 5.33 0.00 1.74 1.61 0.91 0.74 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 0.00 111 S 8.90 5.16 0.00 3.88 3.92 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 0.00 0.00 0.00 112 I 8.99 4.99 1.42 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.61 0.40 0.00 0.00 113 V 8.41 4.67 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 0.87 0.00 0.00 0.88 0.00 0.00 114 Q 8.98 4.90 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 115 E 9.45 4.71 0.00 1.79 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 2.22 2.19 0.00 116 G 8.60 3.87 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 0.00 0.00 0.00 117 I 7.84 4.01 1.96 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 1.34 1.29 0.96 0.00 0.00 118 P 0.00 4.54 0.00 2.20 2.01 0.00 3.72 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.20 0.00 119 D 8.69 4.42 0.00 2.65 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 0.00 120 A 8.03 4.02 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 121 I 7.35 4.26 1.95 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.78 0.86 0.00 0.00 122 P 0.00 4.33 0.00 2.20 2.02 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 123 P 0.00 4.31 0.00 2.27 2.17 0.00 3.65 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 2.17 2.19 0.00 124 E 8.30 4.25 0.00 2.29 2.31 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 2.42 2.47 0.00 125 N 8.29 4.47 0.00 2.90 2.92 0.00 0.00 6.99 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 0.00 126 C 7.96 4.20 0.00 3.06 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 0.00 127 Y 8.11 4.31 0.00 3.27 3.02 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 0.00 0.00 0.00 128 L 8.30 4.21 0.00 1.95 1.79 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.32 3.55 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 0.00 0.00 0.00 130 W 8.26 4.24 0.00 3.65 3.34 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 0.00 131 Q 8.78 4.09 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.73 0.00 132 Q 8.12 4.04 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 133 S 8.16 4.50 0.00 4.14 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 0.00 134 L 9.15 4.18 0.00 1.90 1.83 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.08 4.01 0.00 1.99 2.06 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 136 Q 8.20 4.08 0.00 2.64 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 137 L 8.33 3.47 0.00 0.60 1.48 -0.50 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.93 3.87 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 0.00 139 A 7.69 3.91 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.49 4.08 0.00 1.65 1.79 0.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.67 3.96 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 0.79 0.00 0.00 0.92 0.00 0.00 142 E 8.06 4.32 0.00 2.06 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 2.42 2.25 0.00 143 P 0.00 4.29 0.00 2.03 1.98 0.00 3.91 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 144 D 8.60 4.78 0.00 2.83 2.67 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 * Residues marked with a * may have inaccurate shift predictions.