NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3238 8.1329 112.9179 60.4842 70.2501 175.2047 6 D 4.7820 8.3309 124.9995 56.0664 39.7317 177.8403 7 R 4.2988 8.7229 120.6690 60.0457 30.3145 177.7573 8 T 3.9001 7.5076 113.7854 66.9889 68.3438 176.6069 9 Q 3.9902 7.9278 119.2516 58.8946 28.3708 178.5433 10 E 3.9429 8.4180 120.0237 59.4288 29.4167 179.4343 11 I 3.9641 8.3308 120.3305 64.5218 37.1757 178.5207 12 Q 3.9924 8.4215 119.2002 58.7442 28.5474 178.7328 13 K 3.8513 8.3723 120.9791 59.4328 32.2447 178.5641 14 L 3.8597 8.2154 120.7951 58.2455 42.0183 178.2011 15 H 3.9960 8.3874 118.3247 59.5670 29.5621 177.0524 16 E 3.8538 7.9025 118.6788 59.1635 29.2744 179.1099 17 L 4.0139 7.7077 118.5073 57.0808 42.0669 178.7164 18 I 4.0642 7.2277 110.3884 60.2783 37.7640 177.3801 19 K 3.8084 7.7184 120.7329 59.6773 32.4418 177.4739 20 N 4.6741 7.9270 114.1496 52.6904 38.6151 174.7703 21 I 4.4281 7.3125 120.4926 59.4914 37.6630 175.1694 22 D 4.5057 8.7977 126.6848 56.4231 41.1290 176.4721 23 Y 4.7653 8.2028 115.9097 56.1780 41.1648 174.4898 24 G 3.2159 7.9975 110.8303 46.0678 0.0000 175.2138 *26 F 4.6517 8.5852 130.2168 58.1159 40.5554 172.1592 27 T 5.3972 9.3238 124.2139 62.0487 71.1422 173.7911 28 T 5.1437 9.1121 115.8550 59.7675 72.6443 172.9437 29 V 5.0010 8.3136 121.0502 60.0554 34.0436 174.9857 30 D 4.9623 8.5289 123.3974 51.4612 41.8188 176.6109 31 D 4.3296 8.6298 117.8341 57.5971 40.7040 177.4888 32 D 4.4649 8.2424 116.2025 54.5312 41.2293 177.2262 33 G 3.9138 8.3544 107.9837 45.2992 0.0000 173.9805 34 S 4.3706 8.1109 116.1350 58.1740 64.2731 173.0360 35 L 5.6885 8.1649 122.3004 52.7065 43.5307 175.5190 36 H 4.9546 8.7435 120.1438 53.9193 32.0936 172.7605 37 S 5.3046 8.2956 115.8478 56.8205 65.4947 172.5895 38 Y 4.9346 8.5980 121.7543 55.5218 41.5445 173.6097 39 P 5.1537 0.0000 0.0000 62.2091 32.8569 175.6670 *41 S 4.3159 8.6127 113.6047 57.7570 62.7811 173.7149 42 K 3.9260 8.6580 126.6885 56.5892 33.2943 176.0776 43 S 4.5669 8.5816 117.0605 57.8103 64.3640 175.4082 44 G 4.0651 8.6266 110.7824 45.4896 0.0000 172.5772 45 D 4.7235 8.1400 119.0199 52.6963 42.1404 176.8167 46 I 3.9499 8.1035 117.0492 61.8546 38.3990 175.8989 47 N 4.5769 8.3606 117.4360 52.7245 41.0704 173.8723 48 S 3.7005 8.3526 114.9351 59.4011 63.1922 171.7832 49 E 4.1056 7.6449 116.4881 56.3964 30.9128 177.1261 50 A 4.4777 8.2628 126.7678 51.0401 16.8825 175.9481 51 T 4.9118 7.3774 116.0036 60.9643 72.9317 174.5814 52 L 4.6318 8.5963 125.7464 52.8121 44.7013 175.4742 53 W 5.2297 8.0949 120.7849 54.9351 33.1467 174.3439 54 F 5.2181 9.2020 121.9538 55.6407 42.5291 174.4868 55 F 4.7840 9.1838 122.1397 58.2086 39.7108 174.4107 56 T 4.8871 8.9358 115.3451 61.1367 71.4056 172.0520 57 Y 4.9003 8.8163 122.8100 57.5018 38.6970 176.9459 58 A 4.0076 9.5435 127.6854 55.1841 18.6599 178.6915 59 G 3.9117 8.8488 102.8743 45.7266 0.0000 173.9562 60 S 4.1551 8.1062 116.0206 58.5178 62.8634 174.4547 61 H 4.2262 9.0964 126.3581 59.5580 29.3701 177.4731 62 K 3.8541 7.5674 121.0411 58.9122 32.1826 179.2785 63 V 3.4767 7.6157 119.9992 66.1686 31.4603 177.8673 64 T 3.9324 7.5473 112.5185 65.0140 66.6891 176.0275 65 E 4.0196 8.0992 120.1687 59.5453 29.5823 179.1923 66 I 3.9460 7.9493 119.8643 64.4443 36.9293 178.1482 67 E 4.0281 8.3262 118.8002 59.6410 29.4387 178.5429 68 H 4.8980 7.9123 112.8271 55.9387 28.4316 175.3246 69 H 4.6549 8.2132 121.2488 54.5064 30.7767 172.9679 70 E 4.4520 8.4131 125.2792 58.0926 30.9321 176.9215 71 Q 4.6440 7.3216 119.8851 56.0129 29.4965 176.0106 72 V 4.7163 8.9991 116.6352 59.6711 36.9496 173.6401 73 N 5.2853 8.7192 118.8714 51.9658 42.5294 172.9464 74 V 4.5354 8.7200 125.7104 60.9864 33.6989 174.3472 75 S 5.4135 8.4657 121.8155 56.6724 66.3791 172.8047 76 F 5.1416 9.4078 120.0535 55.9314 42.3236 174.0020 77 S 4.9874 9.0083 119.4663 56.9284 65.5240 174.3226 78 S 4.5366 8.9462 119.8938 55.3485 62.8437 172.2812 79 P 4.2703 0.0000 0.0000 65.1522 31.6177 179.0155 80 E 3.9409 8.3235 117.5053 58.9155 29.3275 177.6921 81 Q 4.4175 7.6955 113.4280 54.7190 30.0912 175.2737 82 Q 3.3800 7.8168 116.5927 56.6753 27.0090 173.8038 83 R 4.9025 7.7137 116.7988 54.9373 34.6064 174.1381 84 Y 5.3216 9.1497 122.2257 56.4174 42.5225 174.4033 85 V 5.1805 9.5356 123.4253 61.3465 35.4237 173.7412 86 S 5.1173 9.9673 122.9338 56.7265 64.8326 172.5147 87 I 4.8490 8.9480 129.0578 59.9109 39.2775 174.7603 88 S 4.9971 8.9633 124.7090 57.4034 65.0664 174.3164 89 G 4.0387 8.0920 109.1839 46.4184 0.0000 171.7187 90 T 5.1946 8.0061 109.3788 59.9446 71.4429 173.6029 91 S 5.7606 8.9847 117.8588 55.8074 65.4899 173.1005 92 Q 4.6838 8.3267 122.9849 53.9156 33.2918 173.7529 93 L 4.7381 8.5059 124.2377 54.9422 42.9889 176.1600 94 V 4.6805 9.0796 118.6277 59.1337 36.5436 175.5463 95 K 4.7089 8.2978 119.1721 55.9576 33.0085 176.3625 96 D 4.3637 8.2557 119.0218 54.3981 41.3686 175.8225 97 R 4.0531 8.6913 126.5511 59.5202 30.6225 178.0632 98 N 4.4077 8.2309 114.8788 56.3079 38.7954 178.0742 99 K 3.9514 8.3506 118.7691 56.3544 31.4422 178.5048 *101 R 4.2491 8.0931 118.8739 55.8229 31.7183 175.9455 102 E 4.0509 8.3491 117.6530 58.8873 29.5957 177.5215 103 L 4.3846 7.8583 116.3007 55.0014 42.4564 177.0052 104 W 4.1720 8.3689 128.5289 57.4774 31.2962 175.0144 105 K 4.4206 6.6932 122.5712 52.9489 35.6585 175.5085 106 P 4.2694 0.0000 0.0000 65.9245 31.0749 178.6234 107 E 3.9616 8.0587 116.8371 59.5142 29.3282 178.9923 108 L 4.4920 7.5608 118.2261 56.8674 40.9166 178.7797 109 Q 4.5774 8.1812 120.6132 59.6355 28.5822 178.6077 110 T 3.6076 7.3882 109.6190 64.3398 68.6379 175.8638 111 W 4.5366 7.9720 119.4071 56.4418 31.0651 176.4601 112 F 5.2025 8.4572 117.8506 53.3075 38.5209 173.5131 113 P 4.5666 0.0000 0.0000 64.6495 31.8390 177.5937 114 K 4.3951 9.1214 116.0347 55.4251 33.1443 177.6165 115 G 3.2314 8.4522 109.8052 46.6785 0.0000 176.4807 116 L 3.8019 7.4270 122.7496 56.0470 41.5745 176.9382 117 D 4.6109 7.6778 118.0542 53.8694 41.1710 176.4216 118 E 4.1324 8.1632 121.3743 55.9546 29.7134 176.3064 119 P 4.2636 0.0000 0.0000 65.0582 31.8098 176.6381 120 D 4.9022 8.1521 115.2373 53.7251 41.4754 175.0440 121 I 4.2809 7.4632 118.1382 61.5859 38.8058 174.7120 122 A 4.6388 8.8526 128.9195 51.4379 23.3630 174.4901 123 L 5.1461 8.9014 117.5036 53.1737 45.6126 176.1676 124 L 5.1817 9.2867 123.1223 53.1179 43.8173 175.6340 125 K 4.3926 8.8695 123.6077 54.9573 35.4132 175.5022 126 V 4.6326 8.3961 122.2948 61.2536 34.5523 174.1202 127 N 4.8113 9.0873 127.1886 52.1350 39.4986 174.7196 128 I 4.0375 8.1573 126.2960 61.5544 37.3619 175.6050 129 N 4.8491 9.4337 124.6718 54.6767 40.6082 174.9445 130 Q 5.0671 7.9037 118.2927 54.4218 33.2639 173.3006 131 V 5.0321 9.3694 125.5821 61.2292 34.7005 173.7278 132 N 5.4821 9.2884 125.2355 51.5773 41.4749 173.2175 133 Y 5.5132 8.2817 120.4033 55.1757 42.5503 174.0004 134 W 5.0917 9.9129 120.1993 55.5024 31.8709 175.8816 135 D 4.7148 9.2310 124.3073 55.0453 42.2280 176.1283 *139 S 4.3362 7.5644 111.2779 60.2997 63.8411 176.1727 140 F 2.9782 8.4273 119.9512 60.2008 42.2130 177.3601 141 K 4.0820 8.3504 125.9311 53.6125 32.9744 177.4524 142 P 3.7156 0.0000 0.0000 61.4777 32.5616 175.4649 143 Q 4.0934 7.7207 119.3193 55.2330 30.2243 175.2842 144 T 5.0249 8.0915 118.0289 61.7746 71.9326 173.3563 145 I 4.4537 9.0894 126.1854 59.6019 40.1691 174.5664 146 S 5.1776 8.5054 122.6695 56.7287 65.0805 174.2308 147 F 4.4463 9.0103 122.0098 57.6043 38.7959 175.2874 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 5 T 8.13 4.32 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 1.21 0.00 0.00 6 D 8.33 4.78 0.00 2.76 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 7 R 8.72 4.30 0.00 1.91 1.99 0.00 3.31 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 8 T 7.51 3.90 4.41 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 1.21 0.00 0.00 9 Q 7.93 3.99 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 10 E 8.42 3.94 0.00 1.98 1.49 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 2.09 2.35 0.00 11 I 8.33 3.96 1.94 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 1.96 1.10 0.93 0.00 0.00 12 Q 8.42 3.99 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 13 K 8.37 3.85 0.00 1.92 1.96 0.00 1.37 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.39 1.28 7.81 14 L 8.22 3.86 0.00 1.94 1.86 0.88 1.03 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 15 H 8.39 4.00 0.00 3.23 3.47 0.00 5.84 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 16 E 7.90 3.85 0.00 2.06 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 2.54 2.47 0.00 17 L 7.71 4.01 0.00 1.62 1.54 0.15 0.26 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 18 I 7.23 4.06 0.81 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.46 0.48 0.00 0.00 19 K 7.72 3.81 0.00 1.75 1.76 0.00 1.48 0.00 0.00 1.47 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.30 7.81 20 N 7.93 4.67 0.00 2.68 2.85 0.00 0.00 6.73 7.45 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 21 I 7.31 4.43 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.56 1.22 0.00 0.00 22 D 8.80 4.51 0.00 2.95 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 23 Y 8.20 4.77 0.00 2.99 2.93 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 24 G 8.00 3.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 F 8.59 4.65 0.00 2.92 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 27 T 9.32 5.40 4.23 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 1.22 0.00 0.00 28 T 9.11 5.14 4.37 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 1.46 0.00 0.00 29 V 8.31 5.00 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 0.35 0.00 0.00 0.91 0.00 0.00 30 D 8.53 4.96 0.00 2.97 2.92 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 31 D 8.63 4.33 0.00 2.69 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 32 D 8.24 4.46 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 33 G 8.35 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 34 S 8.11 4.37 0.00 4.02 3.64 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 35 L 8.16 5.69 0.00 1.42 1.53 0.92 1.09 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 36 H 8.74 4.95 0.00 3.09 2.72 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.30 5.30 0.00 3.77 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 38 Y 8.60 4.93 0.00 2.73 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 39 P 0.00 5.15 0.00 2.15 2.08 0.00 3.51 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.79 0.00 *41 S 8.61 4.32 0.00 2.72 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 42 K 8.66 3.93 0.00 1.47 1.35 0.00 1.46 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.38 1.49 7.81 43 S 8.58 4.57 0.00 3.85 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 44 G 8.63 4.07 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 0.00 0.00 0.00 45 D 8.14 4.72 0.00 2.63 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 46 I 8.10 3.95 1.81 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 0.50 0.83 0.00 0.00 47 N 8.36 4.58 0.00 2.75 2.56 0.00 0.00 7.04 7.52 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 48 S 8.35 3.70 0.00 3.95 3.84 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 49 E 7.64 4.11 0.00 2.23 1.87 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 2.40 1.87 0.00 50 A 8.26 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.38 4.91 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 0.53 0.00 0.00 52 L 8.60 4.63 0.00 1.52 1.24 1.13 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.09 5.23 0.00 3.20 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 54 F 9.20 5.22 0.00 2.98 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 55 F 9.18 4.78 0.00 2.99 2.86 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 0.00 0.00 0.00 56 T 8.94 4.89 4.27 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 1.31 0.00 0.00 57 Y 8.82 4.90 0.00 3.07 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 58 A 9.54 4.01 1.43 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 59 G 8.85 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 60 S 8.11 4.16 0.00 4.15 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 61 H 9.10 4.23 0.00 3.28 3.34 0.00 5.92 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 62 K 7.57 3.85 0.00 1.35 0.74 0.00 1.14 0.00 0.00 0.77 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 0.95 7.81 63 V 7.62 3.48 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 1.07 0.00 0.00 0.89 0.00 0.00 64 T 7.55 3.93 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 1.36 0.00 0.00 65 E 8.10 4.02 0.00 2.24 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 2.45 2.38 0.00 66 I 7.95 3.95 1.87 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.29 0.99 0.00 0.00 67 E 8.33 4.03 0.00 2.02 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 2.51 2.51 0.00 68 H 7.91 4.90 0.00 3.15 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.21 4.65 0.00 3.16 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.41 4.45 0.00 2.21 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 2.31 2.14 0.00 71 Q 7.32 4.64 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 72 V 9.00 4.72 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 0.99 0.00 0.00 0.70 0.00 0.00 73 N 8.72 5.29 0.00 2.69 2.53 0.00 0.00 7.07 7.84 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 74 V 8.72 4.54 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 0.79 0.00 0.00 0.45 0.00 0.00 75 S 8.47 5.41 0.00 3.97 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 0.00 76 F 9.41 5.14 0.00 2.98 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 77 S 9.01 4.99 0.00 3.81 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 0.00 78 S 8.95 4.54 0.00 3.77 3.65 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 0.00 0.00 0.00 79 P 0.00 4.27 0.00 2.31 2.40 0.00 3.80 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 80 E 8.32 3.94 0.00 1.98 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 2.34 2.39 0.00 81 Q 7.70 4.42 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 82 Q 7.82 3.38 0.00 2.47 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 83 R 7.71 4.90 0.00 1.76 1.54 0.00 3.04 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 84 Y 9.15 5.32 0.00 3.14 2.86 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 0.00 0.00 0.00 85 V 9.54 5.18 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 1.19 0.00 0.00 1.05 0.00 0.00 86 S 9.97 5.12 0.00 4.18 4.01 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 87 I 8.95 4.85 2.06 0.00 0.00 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 1.33 0.88 0.90 0.00 0.00 88 S 8.96 5.00 0.00 3.77 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 89 G 8.09 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 0.00 0.00 0.00 0.00 90 T 8.01 5.19 4.35 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 1.18 0.00 0.00 91 S 8.98 5.76 0.00 3.87 3.83 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 0.00 0.00 0.00 92 Q 8.33 4.68 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 93 L 8.51 4.74 0.00 1.64 1.73 0.95 0.93 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 94 V 9.08 4.68 2.17 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 0.76 0.00 0.00 1.17 0.00 0.00 95 K 8.30 4.71 0.00 1.70 1.76 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.40 7.81 96 D 8.26 4.36 0.00 2.66 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 97 R 8.69 4.05 0.00 1.80 1.94 0.00 3.24 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 98 N 8.23 4.41 0.00 2.84 2.79 0.00 0.00 6.73 7.92 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 99 K 8.35 3.95 0.00 1.50 1.26 0.00 1.14 0.00 0.00 0.79 0.00 0.00 2.13 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.30 0.32 7.81 *101 R 8.09 4.25 0.00 2.06 2.10 0.00 3.41 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.20 0.00 102 E 8.35 4.05 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 2.24 2.21 0.00 103 L 7.86 4.38 0.00 1.75 1.81 0.38 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.37 4.17 0.00 3.38 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 0.00 105 K 6.69 4.42 0.00 1.44 1.74 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.48 7.81 106 P 0.00 4.27 0.00 2.13 2.18 0.00 3.50 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 2.25 0.00 107 E 8.06 3.96 0.00 2.02 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 0.00 2.42 2.46 0.00 108 L 7.56 4.49 0.00 0.27 1.52 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.18 4.58 0.00 2.54 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 110 T 7.39 3.61 3.44 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 0.90 0.00 0.00 111 W 7.97 4.54 0.00 3.17 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.46 5.20 0.00 3.50 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 0.00 113 P 0.00 4.57 0.00 2.12 2.18 0.00 4.12 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 2.09 2.13 0.00 114 K 9.12 4.40 0.00 1.99 1.82 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.55 7.81 115 G 8.45 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 0.00 0.00 0.00 116 L 7.43 3.80 0.00 1.25 1.47 0.67 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.68 4.61 0.00 2.78 2.65 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 0.00 0.00 0.00 118 E 8.16 4.13 0.00 2.16 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 0.00 2.64 2.88 0.00 119 P 0.00 4.26 0.00 2.11 2.16 0.00 3.76 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 2.08 2.12 0.00 120 D 8.15 4.90 0.00 2.90 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 0.00 121 I 7.46 4.28 1.74 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.09 0.91 0.00 0.00 122 A 8.85 4.64 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 0.00 123 L 8.90 5.15 0.00 1.67 1.75 0.60 0.14 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 0.00 124 L 9.29 5.18 0.00 1.65 1.68 0.51 0.80 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 0.00 125 K 8.87 4.39 0.00 0.79 0.74 0.00 1.08 0.00 0.00 1.45 0.00 0.00 2.66 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.27 1.08 7.81 126 V 8.40 4.63 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 0.95 0.00 0.00 1.10 0.00 0.00 127 N 9.09 4.81 0.00 2.56 2.66 0.00 0.00 6.60 7.18 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 0.00 128 I 8.16 4.04 1.45 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 1.07 0.31 0.58 0.00 0.00 129 N 9.43 4.85 0.00 2.75 2.87 0.00 0.00 5.99 7.68 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 0.00 130 Q 7.90 5.07 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 131 V 9.37 5.03 2.34 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 0.95 0.00 0.00 1.13 0.00 0.00 132 N 9.29 5.48 0.00 2.62 2.06 0.00 0.00 6.14 8.19 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 0.00 133 Y 8.28 5.51 0.00 3.13 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 0.00 134 W 9.91 5.09 0.00 3.50 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 0.00 135 D 9.23 4.71 0.00 2.81 2.83 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 0.00 0.00 0.00 *139 S 7.56 4.34 0.00 4.16 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 0.00 140 F 8.43 2.98 0.00 3.13 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 0.00 141 K 8.35 4.08 0.00 1.82 1.58 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 0.99 7.81 142 P 0.00 3.72 0.00 1.10 0.49 0.00 3.53 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 1.61 1.62 0.00 143 Q 7.72 4.09 0.00 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 144 T 8.09 5.02 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 1.24 0.00 0.00 145 I 9.09 4.45 1.99 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 1.27 0.88 0.27 0.00 0.00 146 S 8.51 5.18 0.00 3.65 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 0.00 147 F 9.01 4.45 0.00 2.98 2.92 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 * Residues marked with a * may have inaccurate shift predictions.