NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.1754 8.1844 120.7670 54.0059 43.0979 175.8775 *2 Q 4.2458 7.7967 119.1751 55.8692 29.8233 173.1609 3 P 4.5248 0.0000 0.0000 62.4653 32.0383 176.1109 4 R 2.8282 8.1924 117.1648 54.7423 30.5709 174.7565 5 P 4.3156 0.0000 0.0000 61.9488 32.3360 176.8231 6 D 4.3407 8.5150 119.5738 57.5074 40.7486 178.0331 7 S 4.3554 7.8543 110.5966 58.8634 63.6094 174.0798 8 A 4.3643 7.4785 123.9738 52.0037 18.8226 177.4562 9 F 4.4595 9.2189 124.3779 58.4714 40.9266 173.9968 10 V 4.4693 7.5460 125.0368 61.2686 33.4680 173.7472 11 H 4.6741 8.7539 128.5226 54.5136 31.6765 173.2222 12 D 4.9175 8.3757 125.8993 53.7770 41.9168 175.8038 13 V 4.2074 8.6172 123.3837 60.8543 34.3663 174.1929 14 R 4.3767 8.5231 128.7279 55.6346 30.2480 175.4926 15 V 4.2829 8.2638 126.6017 61.6238 33.0959 174.5750 16 T 4.7171 9.1434 115.8819 59.2325 72.4567 174.5924 17 W 4.4429 9.2019 130.9192 60.7452 30.5661 178.1127 18 G 3.7199 7.7423 104.8280 47.9642 0.0000 174.1204 19 D 4.5116 8.4066 119.5332 55.6983 41.3586 175.9156 20 C 4.9411 7.6151 117.1895 58.2701 29.6778 173.0619 21 D 4.6122 8.3640 122.8033 51.1194 40.9064 175.5008 22 P 4.1396 0.0000 0.0000 64.5704 31.1429 177.3118 23 A 4.1660 8.0502 120.1822 52.1775 18.5256 177.7954 24 K 3.9290 8.2388 114.7703 56.7920 29.9387 175.5186 25 I 4.8634 7.4094 110.7141 58.4368 41.6800 174.0354 26 A 4.5450 8.9240 125.4525 52.2452 18.7942 177.1386 27 Y 4.3125 8.9662 124.5548 57.9518 39.6427 177.0604 28 T 3.3656 8.3817 123.2049 66.7385 68.2578 176.7509 29 G 3.2889 5.4453 105.3972 47.3356 0.0000 174.4267 30 H 4.4270 7.8132 117.6182 57.1983 29.0063 177.4783 31 L 3.6998 7.2758 121.4615 57.1050 41.2952 177.4716 32 P 4.2349 0.0000 0.0000 65.4350 31.2301 178.4026 33 R 3.8393 7.7345 116.9978 59.5411 30.0876 178.4084 34 F 4.5588 7.6176 117.2238 60.7062 39.0259 177.5367 35 A 4.1615 8.1980 120.4222 55.1765 18.0982 179.7277 36 L 3.9558 8.0790 117.7147 57.8307 41.6351 179.1567 37 E 3.9092 8.5082 119.1670 59.2405 29.5186 178.8168 38 A 3.9976 7.9603 120.3187 55.2442 18.4839 179.7491 39 I 3.3481 7.4860 118.1142 64.3283 37.1202 177.9631 40 D 3.3700 7.6051 119.0128 57.1614 40.8807 178.4158 41 A 3.9732 7.9564 121.1275 54.5058 18.3102 179.4619 42 W 3.2479 8.0470 127.1453 60.2688 30.7375 178.2041 43 W 4.4036 8.1695 118.8984 60.0047 28.1959 178.5987 44 S 4.9008 8.0376 116.4086 61.0785 62.0212 176.4980 45 E 3.3951 7.4927 120.7389 58.8081 29.3195 177.6300 46 Y 4.2736 6.9202 113.8175 58.0773 38.9277 175.9541 47 H 4.7916 9.0579 118.6351 55.6824 31.4273 174.8684 48 G 4.2876 7.0198 110.9634 44.1405 0.0000 169.8103 49 P 4.3159 0.0000 0.0000 64.2374 31.8428 177.1252 50 G 4.0521 8.8568 109.7353 44.2616 0.0000 174.5334 51 G 3.7739 7.9528 109.4940 45.9687 0.0000 176.8257 52 W 4.2479 9.5598 121.0680 59.6360 28.6936 177.4178 53 Y 4.0708 8.2414 119.1824 60.9550 38.2771 177.4191 54 H 4.4973 8.5214 120.4905 58.6990 30.0580 176.6121 55 L 3.8085 8.0953 122.2067 58.2753 41.8469 178.7122 56 E 4.2534 8.5110 120.4585 58.7936 29.5082 178.4512 57 L 4.1527 7.8617 117.1788 56.4337 41.9005 178.0776 58 D 4.6592 8.2657 118.4966 56.0461 41.6057 178.1710 59 T 4.2552 7.7227 112.8452 62.5509 69.3248 174.2618 60 N 4.3975 8.0197 117.7700 53.7564 37.5936 172.5638 61 V 4.7865 7.9281 116.4101 60.6325 33.9924 174.6165 62 G 4.4436 9.0030 115.3686 43.4471 0.0000 172.7363 63 T 5.2426 7.5872 109.3332 57.8500 67.4710 171.8968 64 P 4.2648 0.0000 0.0000 63.5013 33.2041 177.3043 65 F 4.7177 8.7174 120.4471 57.7024 39.2657 175.6958 66 V 4.4654 8.9119 114.8126 61.5336 34.0799 175.8244 67 R 4.8544 7.8654 119.3487 55.0550 33.3764 173.4706 68 L 5.2205 8.3364 124.0576 54.3205 43.8790 174.5761 69 E 4.4472 8.3104 118.0846 55.0603 34.1285 173.3163 *71 D 4.3009 8.4510 117.7520 54.1286 42.5918 174.8203 72 F 5.2729 8.5974 121.7308 56.2854 39.7998 175.3005 73 K 4.5694 9.5878 124.3284 57.3231 33.9719 177.0338 74 S 4.6768 7.8975 111.4771 55.9905 65.2731 171.7123 75 P 4.5616 0.0000 0.0000 62.7476 32.2040 175.6661 76 V 4.6923 8.4781 122.8500 61.8673 33.3572 174.6987 77 T 5.0857 9.0238 117.0903 59.1866 71.1413 172.2786 78 P 4.7549 0.0000 0.0000 63.1027 31.3384 178.8289 79 R 4.0802 7.9176 118.4637 58.7045 30.1551 176.2242 80 H 4.9822 7.3131 110.2179 53.5490 32.9882 173.0491 81 I 3.7540 8.2170 121.9803 61.7487 37.8796 175.6959 82 L 4.2603 8.7926 129.1293 54.1726 43.0827 175.7111 83 K 4.5093 9.0475 128.2300 55.6610 33.4688 176.2345 84 C 4.9487 8.9921 125.4320 58.5656 29.2602 172.8095 85 H 5.0361 9.3777 123.2822 55.7001 29.2308 174.9890 86 T 5.5063 9.8999 120.7270 61.7454 72.3885 173.1606 87 W 5.1177 8.7771 121.5629 54.7693 32.2534 171.6107 88 P 4.1067 0.0000 0.0000 62.8109 31.4205 176.4802 89 T 4.3878 8.4473 119.5424 63.3938 68.3915 174.5213 90 R 4.5392 7.2399 118.9411 55.3657 33.6326 173.5614 91 L 4.9226 8.4634 126.5988 53.4768 44.7033 175.6651 92 G 4.1811 8.6454 119.5719 45.0944 0.0000 172.8122 93 T 4.0543 8.5868 114.6348 65.8361 68.8055 176.3407 94 K 4.4988 8.0932 119.4234 56.4498 34.2367 175.6779 95 S 5.1416 7.8305 111.6682 56.3930 67.0062 172.8087 96 I 4.9927 8.6216 120.3137 59.5227 41.4169 174.0628 97 T 5.0485 8.5852 124.5761 61.8278 71.6123 172.8304 98 F 4.8352 9.3984 125.5348 55.8775 41.5795 175.0876 99 R 4.8081 8.0610 122.3535 54.7911 32.1780 175.6513 100 V 5.0300 8.7766 121.9903 61.4215 35.1226 173.5509 101 D 5.3519 9.5582 128.1025 52.5950 43.4384 175.4005 102 G 3.3477 8.0598 111.6933 44.4363 0.0000 172.6115 103 V 4.9423 8.6820 126.0722 61.0117 35.0344 174.1834 104 Q 4.6656 8.9056 126.4630 54.2730 31.9554 175.2480 105 D 4.2410 9.7549 124.9108 55.2157 39.6402 174.5712 106 G 3.9046 8.2779 104.2268 45.3737 0.0000 174.1634 107 V 3.8382 7.4322 120.9208 62.0497 32.1745 175.1539 108 T 4.4950 8.3397 124.3042 63.4495 68.0786 174.0276 109 C 4.6654 9.0986 126.7778 62.1243 29.4506 174.0957 110 F 5.5578 7.4910 111.4086 55.5067 41.3007 173.8139 111 V 4.9350 8.8495 113.4596 59.7688 34.4845 175.4326 112 G 4.2554 9.7294 111.8358 44.2834 0.0000 171.0869 113 A 5.2311 8.3171 122.3788 49.8328 22.6744 175.2738 114 F 5.2397 9.6572 120.6124 56.1663 43.2522 173.8847 115 T 5.1936 9.4469 121.1201 61.9688 71.1761 173.2188 116 C 5.0224 8.9423 123.3276 58.0342 32.2471 173.9637 117 V 4.8292 7.8921 114.7931 59.2890 34.5918 174.3439 118 F 5.3519 8.6102 119.0837 56.1120 41.8315 175.1604 119 T 5.0374 8.7292 112.2823 59.6582 72.9064 173.4251 120 I 4.3349 8.6624 123.8134 60.8451 37.2837 176.8767 121 A 4.0159 9.1679 132.3638 55.2590 18.3339 179.4351 122 D 4.5003 8.5574 113.5153 55.5249 39.5559 177.0063 123 Q 4.3065 7.9115 117.1487 55.1281 29.8959 174.9318 124 F 3.8508 7.6639 120.1424 59.2818 38.4352 174.8801 125 K 4.5480 7.3525 120.5462 54.2189 35.3467 175.9691 126 S 4.8149 8.6145 123.0406 59.3454 63.4557 173.4705 127 Q 4.7480 8.9205 120.2048 53.7271 31.6788 172.7433 128 P 4.5911 0.0000 0.0000 62.4821 32.3604 175.6974 129 A 2.7620 8.4392 123.3086 51.4632 18.6035 176.2323 130 P 4.2660 0.0000 0.0000 62.2720 32.4961 177.2419 131 D 4.3525 8.8555 122.1454 57.9726 40.2051 179.0889 132 H 4.3223 8.1993 115.0385 58.6336 28.5989 177.6174 133 L 4.1670 7.5015 121.2826 57.4659 41.5909 178.8681 134 R 3.8873 8.1766 118.6749 59.6928 29.7003 178.3894 135 A 4.0501 7.8792 119.2001 55.1202 18.4035 179.2947 136 L 4.2065 7.4922 115.8232 57.5925 41.9450 179.4353 137 I 4.2748 8.0056 119.8283 64.4641 37.3476 177.8847 138 E 3.9511 8.2677 119.3857 59.3001 29.1394 177.7467 139 P 4.3548 0.0000 0.0000 64.6855 31.4539 176.5291 140 H 4.7216 8.1217 113.4477 55.4251 29.4131 174.7361 141 I 4.6473 7.4474 121.5144 59.1167 37.2741 174.3710 142 P 4.3857 0.0000 0.0000 61.7908 31.9957 176.3634 143 A 4.1715 8.6252 121.8102 53.0094 18.1395 177.7370 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 0 L 8.18 4.18 0.00 1.68 1.62 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *2 Q 7.80 4.25 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.97 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 3 P 0.00 4.52 0.00 2.19 2.05 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 4 R 8.19 2.83 0.00 1.23 1.84 0.00 2.84 0.00 0.00 3.46 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.42 0.00 5 P 0.00 4.32 0.00 2.01 1.91 0.00 2.20 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.24 0.00 6 D 8.52 4.34 0.00 2.62 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 7 S 7.85 4.36 0.00 4.02 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 8 A 7.48 4.36 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 9 F 9.22 4.46 0.00 3.56 3.62 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 10 V 7.55 4.47 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 0.60 0.00 0.00 0.66 0.00 0.00 11 H 8.75 4.67 0.00 3.38 3.19 0.00 5.82 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 12 D 8.38 4.92 0.00 2.46 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.21 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 0.43 0.00 0.00 0.93 0.00 0.00 14 R 8.52 4.38 0.00 1.81 1.79 0.00 3.27 0.00 0.00 3.14 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 15 V 8.26 4.28 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 1.06 0.00 0.00 0.66 0.00 0.00 16 T 9.14 4.72 4.36 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 1.26 0.00 0.00 17 W 9.20 4.44 0.00 3.45 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 18 G 7.74 3.72 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 0.00 0.00 0.00 19 D 8.41 4.51 0.00 3.02 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 20 C 7.62 4.94 0.00 2.83 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 21 D 8.36 4.61 0.00 2.75 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 22 P 0.00 4.14 0.00 2.00 2.09 0.00 3.56 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 23 A 8.05 4.17 1.29 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 0.00 0.00 0.00 24 K 8.24 3.93 0.00 1.94 2.00 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.35 7.81 25 I 7.41 4.86 1.91 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 1.29 0.74 0.94 0.00 0.00 26 A 8.92 4.55 1.48 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 27 Y 8.97 4.31 0.00 2.88 2.68 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 28 T 8.38 3.37 3.56 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 0.43 0.00 0.00 29 G 5.45 3.29 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 0.00 0.00 0.00 0.00 30 H 7.81 4.43 0.00 3.01 2.74 0.00 5.63 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.28 3.70 0.00 1.59 1.36 0.81 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.23 0.00 2.06 2.09 0.00 3.42 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 2.13 0.00 33 R 7.73 3.84 0.00 1.78 1.88 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 34 F 7.62 4.56 0.00 3.32 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 35 A 8.20 4.16 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 36 L 8.08 3.96 0.00 2.00 2.00 0.52 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.51 3.91 0.00 2.25 2.30 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 2.36 2.40 0.00 38 A 7.96 4.00 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 39 I 7.49 3.35 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.48 0.48 0.00 0.00 40 D 7.61 3.37 0.00 1.59 2.46 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 41 A 7.96 3.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.05 3.25 0.00 3.47 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 43 W 8.17 4.40 0.00 3.52 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 44 S 8.04 4.90 0.00 3.95 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 45 E 7.49 3.40 0.00 1.16 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 1.47 1.47 0.00 46 Y 6.92 4.27 0.00 1.71 2.42 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 47 H 9.06 4.79 0.00 3.55 3.91 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.02 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 0.00 0.00 0.00 0.00 49 P 0.00 4.32 0.00 2.00 1.98 0.00 3.57 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 2.04 0.00 50 G 8.86 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.95 3.77 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 0.00 0.00 0.00 52 W 9.56 4.25 0.00 3.50 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 53 Y 8.24 4.07 0.00 3.13 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 54 H 8.52 4.50 0.00 3.46 3.53 0.00 5.90 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.10 3.81 0.00 1.85 1.74 0.55 -0.27 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 56 E 8.51 4.25 0.00 1.96 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 2.22 2.15 0.00 57 L 7.86 4.15 0.00 1.41 1.48 -0.09 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.27 4.66 0.00 2.78 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 59 T 7.72 4.26 4.38 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 1.29 0.00 0.00 60 N 8.02 4.40 0.00 2.95 2.84 0.00 0.00 7.09 7.71 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 61 V 7.93 4.79 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 1.03 0.00 0.00 1.02 0.00 0.00 62 G 9.00 4.44 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 0.00 63 T 7.59 5.24 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 0.78 0.00 0.00 64 P 0.00 4.26 0.00 2.10 2.25 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 65 F 8.72 4.72 0.00 2.94 3.09 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 66 V 8.91 4.47 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 0.62 0.00 0.00 0.97 0.00 0.00 67 R 7.87 4.85 0.00 1.86 1.73 0.00 3.11 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 1.56 1.60 0.00 68 L 8.34 5.22 0.00 1.37 1.65 0.86 0.54 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 69 E 8.31 4.45 0.00 1.84 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 1.99 2.06 0.00 *71 D 8.45 4.30 0.00 2.56 2.61 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 72 F 8.60 5.27 0.00 2.97 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 73 K 9.59 4.57 0.00 1.83 1.89 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.54 7.81 74 S 7.90 4.68 0.00 3.83 3.73 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 75 P 0.00 4.56 0.00 2.03 2.01 0.00 3.77 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 2.07 2.12 0.00 76 V 8.48 4.69 2.29 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 1.20 0.00 0.00 1.24 0.00 0.00 77 T 9.02 5.09 4.28 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.75 0.00 2.26 2.30 0.00 3.93 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.14 0.00 79 R 7.92 4.08 0.00 1.62 1.76 0.00 3.26 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 80 H 7.31 4.98 0.00 3.07 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.22 3.75 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.70 0.89 0.00 0.00 82 L 8.79 4.26 0.00 1.66 1.56 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 83 K 9.05 4.51 0.00 1.77 1.63 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.52 7.81 84 C 8.99 4.95 0.00 3.06 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 85 H 9.38 5.04 0.00 3.29 3.44 0.00 5.56 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 9.90 5.51 4.77 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 1.35 0.00 0.00 87 W 8.78 5.12 0.00 3.49 3.39 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 88 P 0.00 4.11 0.00 1.74 1.15 0.00 3.88 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.72 0.00 89 T 8.45 4.39 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 1.12 0.00 0.00 90 R 7.24 4.54 0.00 1.85 1.61 0.00 3.15 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 91 L 8.46 4.92 0.00 1.51 1.47 1.10 1.03 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 92 G 8.65 4.18 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 0.00 0.00 0.00 93 T 8.59 4.05 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 1.20 0.00 0.00 94 K 8.09 4.50 0.00 1.82 1.85 0.00 1.61 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.40 7.81 95 S 7.83 5.14 0.00 3.94 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 96 I 8.62 4.99 2.08 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.55 0.94 0.00 0.00 97 T 8.59 5.05 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 1.16 0.00 0.00 98 F 9.40 4.84 0.00 2.97 2.79 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 0.00 0.00 0.00 99 R 8.06 4.81 0.00 0.67 0.66 0.00 3.29 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.30 0.00 100 V 8.78 5.03 2.45 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 1.24 0.00 0.00 0.92 0.00 0.00 101 D 9.56 5.35 0.00 2.78 2.57 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 0.00 102 G 8.06 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.68 4.94 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 1.01 0.00 0.00 0.84 0.00 0.00 104 Q 8.91 4.67 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.04 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 105 D 9.75 4.24 0.00 2.41 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 0.00 106 G 8.28 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 0.00 0.00 0.00 107 V 7.43 3.84 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 1.06 0.00 0.00 0.93 0.00 0.00 108 T 8.34 4.49 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 1.20 0.00 0.00 109 C 9.10 4.67 0.00 2.97 3.29 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 0.00 110 F 7.49 5.56 0.00 3.14 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 0.00 111 V 8.85 4.93 2.24 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 0.73 0.00 0.00 0.93 0.00 0.00 112 G 9.73 4.26 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 0.00 113 A 8.32 5.23 1.05 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 0.00 0.00 0.00 0.00 0.00 114 F 9.66 5.24 0.00 3.23 3.40 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 0.00 115 T 9.45 5.19 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 1.27 0.00 0.00 116 C 8.94 5.02 0.00 2.57 2.38 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 0.00 117 V 7.89 4.83 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 0.90 0.00 0.00 0.80 0.00 0.00 118 F 8.61 5.35 0.00 3.19 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 0.00 119 T 8.73 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 0.92 0.00 0.00 120 I 8.66 4.33 1.87 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 1.17 1.08 0.95 0.00 0.00 121 A 9.17 4.02 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 0.00 122 D 8.56 4.50 0.00 2.77 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 0.00 123 Q 7.91 4.31 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 124 F 7.66 3.85 0.00 2.94 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 0.00 125 K 7.35 4.55 0.00 1.82 1.57 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.39 7.81 126 S 8.61 4.81 0.00 3.73 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 0.00 127 Q 8.92 4.75 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 128 P 0.00 4.59 0.00 2.03 2.07 0.00 3.76 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 1.95 1.96 0.00 129 A 8.44 2.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.27 0.00 2.01 1.96 0.00 3.02 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 131 D 8.86 4.35 0.00 2.70 2.74 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 0.00 132 H 8.20 4.32 0.00 3.41 3.58 0.00 5.46 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.50 4.17 0.00 1.76 2.03 1.06 1.08 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 0.00 134 R 8.18 3.89 0.00 1.81 2.13 0.00 3.08 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 135 A 7.88 4.05 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 0.00 136 L 7.49 4.21 0.00 2.02 1.88 1.18 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 137 I 8.01 4.27 1.96 0.00 0.00 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 1.69 1.09 0.82 0.00 0.00 138 E 8.27 3.95 0.00 2.09 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 2.34 2.52 0.00 139 P 0.00 4.35 0.00 1.74 2.01 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 140 H 8.12 4.72 0.00 3.40 3.46 0.00 5.65 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 0.00 141 I 7.45 4.65 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.55 0.93 0.00 0.00 142 P 0.00 4.39 0.00 2.07 1.93 0.00 3.96 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.97 0.00 143 A 8.63 4.17 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 * Residues marked with a * may have inaccurate shift predictions.