NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.4741 8.3644 120.1906 54.2401 42.1679 175.6543 3 C 4.5405 8.4649 125.8808 52.3968 44.9370 170.4486 4 P 4.7514 0.0000 0.0000 62.0176 33.0577 175.5771 5 D 4.9237 8.5768 121.5640 54.9827 41.7201 175.4735 6 S 4.7015 8.7774 114.3618 57.3595 67.1229 172.8147 7 S 5.0173 8.2959 114.8197 56.8875 65.1982 172.5534 8 E 4.8150 9.0906 124.0207 55.0404 33.5941 173.5892 9 E 5.3420 8.7266 118.5659 54.7343 32.4850 175.9949 10 V 4.5838 8.8333 121.6040 61.2812 35.3518 174.1332 11 V 4.9265 8.6101 126.2700 61.1942 34.2988 174.4653 12 G 4.3188 9.1658 112.8208 44.5991 0.0000 171.0200 13 V 4.7341 8.0571 119.5316 60.4352 34.1608 175.2716 14 S 4.4472 8.7185 123.4382 60.6511 63.0747 174.9177 15 G 4.0377 9.3126 114.1384 44.6878 0.0000 173.2684 16 K 4.6598 7.5719 118.8373 53.8453 34.9101 174.4568 17 P 4.9841 0.0000 0.0000 62.7963 32.3864 175.9540 18 V 4.4684 8.5206 120.8935 61.1360 35.1346 173.9429 19 Q 4.7411 8.6079 126.9947 54.3773 31.8254 175.0037 20 L 4.2283 9.0111 127.3535 52.7951 42.3425 173.7916 21 R 4.9991 8.2260 123.0207 53.5920 31.4381 173.8391 22 P 4.9121 0.0000 0.0000 62.7425 32.4574 175.3650 23 S 4.7254 8.2892 114.4793 57.2459 66.2616 173.6516 24 N 4.0829 8.4766 117.0790 54.3829 35.3389 173.2971 25 I 4.3987 7.1825 110.8000 59.5041 40.3995 175.3877 26 Q 4.7017 8.4126 118.7989 54.3915 31.4548 175.8076 27 T 4.6237 8.4040 109.3768 61.0164 70.3241 173.7468 28 K 4.0413 8.0840 124.2425 56.4630 32.6834 175.8955 29 D 4.3139 8.6622 127.9431 55.9593 39.3404 172.6104 30 V 4.7345 7.2632 109.7786 59.7806 35.8748 176.8188 31 S 4.7546 8.7554 118.4452 56.8613 66.0865 173.5166 32 V 4.5389 8.3977 121.8961 61.1115 34.6199 173.9525 33 Q 4.9920 8.9310 128.6183 54.0639 32.3156 173.6561 34 W 5.4001 8.9761 126.0753 54.8635 32.0539 175.0018 35 K 5.2242 9.4875 122.4462 55.2659 36.4568 174.8176 36 K 4.8193 8.8775 121.2987 54.5500 35.6164 175.4974 37 T 4.4225 8.6319 124.2496 63.3820 69.0442 174.1435 38 E 4.1119 9.3234 127.6117 55.8673 31.0986 175.9571 39 Q 3.9190 8.5531 127.2911 57.4525 29.5605 176.4219 40 G 3.9359 10.1206 113.0749 45.5781 0.0000 172.2811 41 S 4.4489 7.4978 112.8135 57.9912 65.8062 173.4970 42 H 4.8170 8.4582 115.4321 55.8171 29.1493 175.6228 43 R 4.2663 7.9030 119.9309 56.1746 31.2588 175.5176 44 K 5.0181 8.4703 120.3767 54.7898 34.7812 175.7592 45 I 4.2624 8.9304 126.0898 60.2298 38.5051 174.7348 46 E 4.3540 8.9388 129.1570 56.5716 29.9176 175.9063 47 I 4.7121 9.2179 128.2070 63.1628 39.1653 175.5714 48 L 4.9404 7.6120 122.0133 53.7057 45.6645 174.1863 49 N 5.1826 9.1046 124.3023 52.2165 41.6193 173.6769 50 W 4.8944 9.5292 135.0000 55.9345 31.7204 175.4893 51 Y 4.7817 8.1095 121.9995 56.2678 39.3505 174.0905 52 N 4.8585 7.4076 116.4043 52.5139 39.7407 173.4988 53 D 4.5355 8.6234 116.6085 56.0022 41.2043 177.0187 54 G 3.8620 7.7627 108.4107 43.6458 0.0000 171.3832 55 P 4.2653 0.0000 0.0000 63.6379 31.7183 176.5862 56 S 4.7092 8.5089 117.1338 59.5365 63.8289 174.6838 57 W 4.5232 7.9838 119.4252 57.1186 29.3129 177.8666 58 S 4.5261 9.1492 120.2459 60.9782 63.1771 174.5225 59 N 4.7312 7.5161 116.8248 50.3759 41.7897 175.2842 60 V 3.5969 8.5411 125.7431 65.0775 31.0977 178.5621 61 S 4.1202 8.9208 114.9674 61.3159 62.5282 176.5444 62 F 4.5114 8.4247 121.8438 60.0610 38.4291 177.3463 63 S 3.1683 7.2142 113.2516 59.6856 62.7222 174.9778 64 D 4.6323 7.3355 121.2967 53.3996 39.8601 176.2974 65 I 4.0213 7.2244 121.0615 62.5116 39.4833 174.9953 66 Y 5.2176 7.8926 117.2663 56.0061 41.1027 175.5558 67 G 4.5416 9.0630 108.1586 43.8233 0.0000 171.9415 68 F 5.3735 8.8428 122.2709 56.3189 42.8375 173.0459 69 D 4.5266 7.6981 125.6813 52.6637 41.9841 176.6687 70 Y 4.0074 8.5308 124.1619 59.9729 38.4766 177.6273 71 G 3.7905 8.7456 109.6635 47.8433 0.0000 174.5996 72 D 4.4205 8.0469 116.0590 51.7563 40.1447 176.5541 73 F 4.0696 8.5413 117.2362 58.0482 37.4169 174.8612 74 A 4.5267 8.3036 123.8597 52.2764 19.4367 176.7005 75 L 4.9393 8.3442 124.0076 53.2628 44.0476 175.4721 76 S 5.1276 9.0501 120.0184 56.5407 67.0545 172.5752 77 I 4.4860 8.4116 121.9817 59.4839 39.1008 176.5961 78 K 3.8536 8.7213 129.1563 59.1905 32.7887 177.0370 79 S 4.4114 7.7364 116.9159 56.2907 64.9075 172.6578 80 A 4.4293 9.0089 130.8286 51.9632 19.4082 176.1853 81 K 4.8207 9.5039 120.1007 54.6432 36.3336 177.3501 82 L 3.9827 8.6381 120.2243 58.1726 41.6303 179.6005 83 Q 4.2340 7.9243 115.2031 57.7702 28.8902 176.7397 84 D 4.6451 8.1685 117.7507 56.1015 41.0957 177.1268 85 S 4.4259 7.8676 115.9503 58.8308 63.6451 174.8578 86 G 3.8688 8.0210 110.0734 44.5614 0.0000 170.6237 87 H 5.4108 8.5138 120.0947 54.9736 31.6302 174.1862 88 Y 5.2590 9.4142 123.4813 56.1539 41.4113 174.4429 89 L 5.2070 9.4345 124.6071 53.3155 45.6740 174.5574 90 L 4.2168 8.7574 128.7278 53.1244 44.0051 174.6065 91 E 5.0178 8.9090 126.0323 54.5277 32.7227 174.8403 92 I 4.7527 8.6219 125.3949 59.7305 40.1600 174.6243 93 T 5.0414 8.7152 124.1006 61.7633 71.5682 174.0277 94 N 5.1684 8.7174 124.5745 51.4345 39.8296 176.0700 95 T 3.8362 8.5382 108.2391 64.5321 68.8830 175.4887 96 G 3.6396 8.1047 108.7500 45.8315 0.0000 174.3943 97 G 3.9062 8.1763 108.2189 45.0852 0.0000 174.3870 98 K 4.0562 8.1298 120.5835 56.2790 32.5881 175.8273 99 V 4.8434 8.2030 122.7291 61.1999 34.0169 174.7810 100 C 4.9802 9.0730 128.1970 55.0465 46.5641 171.7503 101 N 5.3582 9.4473 123.9277 51.4664 40.9171 173.6909 102 K 4.8128 9.0364 124.3077 54.8661 34.5219 174.9120 103 N 5.4694 8.9126 123.6406 51.7103 41.3197 174.4812 104 F 5.2123 9.4672 120.8313 55.8765 43.4761 173.4028 105 Q 5.1380 9.4670 125.6818 54.5471 30.8612 173.6393 106 L 5.2392 9.3905 129.7556 53.3312 44.5656 174.5639 107 L 5.0663 8.9874 128.1774 53.3577 44.6909 174.7456 108 I 4.9240 8.7625 127.5147 59.5931 39.2268 175.8020 109 L 4.4083 8.5467 125.5641 54.8447 41.4932 176.3877 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 D 8.36 4.47 0.00 2.63 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 3 C 8.46 4.54 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 4 P 0.00 4.75 0.00 2.10 2.02 0.00 4.02 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 1.97 1.99 0.00 5 D 8.58 4.92 0.00 2.54 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 6 S 8.78 4.70 0.00 3.76 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 7 S 8.30 5.02 0.00 3.81 3.68 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 8 E 9.09 4.82 0.00 1.98 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 1.64 2.32 0.00 9 E 8.73 5.34 0.00 1.88 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 2.26 2.30 0.00 10 V 8.83 4.58 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 1.04 0.00 0.00 1.15 0.00 0.00 11 V 8.61 4.93 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 0.93 0.00 0.00 0.96 0.00 0.00 12 G 9.17 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 13 V 8.06 4.73 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 0.99 0.00 0.00 0.93 0.00 0.00 14 S 8.72 4.45 0.00 3.88 3.80 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 15 G 9.31 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 16 K 7.57 4.66 0.00 1.95 1.68 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.42 7.81 17 P 0.00 4.98 0.00 1.89 1.94 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 18 V 8.52 4.47 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 0.82 0.00 0.00 0.87 0.00 0.00 19 Q 8.61 4.74 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.86 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 20 L 9.01 4.23 0.00 0.79 0.16 -0.06 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.23 5.00 0.00 1.82 1.89 0.00 3.25 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 22 P 0.00 4.91 0.00 2.40 2.37 0.00 3.98 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 23 S 8.29 4.73 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 24 N 8.48 4.08 0.00 2.84 2.83 0.00 0.00 6.87 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 25 I 7.18 4.40 1.90 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.43 1.00 0.00 0.00 26 Q 8.41 4.70 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 27 T 8.40 4.62 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 0.94 0.00 0.00 28 K 8.08 4.04 0.00 1.72 1.78 0.00 1.82 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.48 7.81 29 D 8.66 4.31 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.26 4.73 2.00 0.00 0.00 0.00 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 0.89 0.00 0.00 31 S 8.76 4.75 0.00 3.64 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 32 V 8.40 4.54 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 -0.02 0.00 0.00 33 Q 8.93 4.99 0.00 2.06 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 34 W 8.98 5.40 0.00 3.15 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 35 K 9.49 5.22 0.00 1.92 1.91 0.00 1.28 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.42 7.81 36 K 8.88 4.82 0.00 1.26 1.40 0.00 1.24 0.00 0.00 1.46 0.00 0.00 2.47 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.96 0.27 7.81 37 T 8.63 4.42 4.25 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 1.32 0.00 0.00 38 E 9.32 4.11 0.00 2.01 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 2.30 2.27 0.00 39 Q 8.55 3.92 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 40 G 10.12 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 0.00 0.00 0.00 41 S 7.50 4.45 0.00 3.88 3.82 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 42 H 8.46 4.82 0.00 3.17 3.34 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.90 4.27 0.00 1.94 1.86 0.00 3.09 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 44 K 8.47 5.02 0.00 1.63 1.73 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.40 7.81 45 I 8.93 4.26 1.89 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 1.17 0.71 1.07 0.00 0.00 46 E 8.94 4.35 0.00 2.04 1.94 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 2.38 2.50 0.00 47 I 9.22 4.71 2.02 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.68 0.70 0.00 0.00 48 L 7.61 4.94 0.00 1.06 1.06 -1.02 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 49 N 9.10 5.18 0.00 2.91 2.86 0.00 0.00 6.97 8.55 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 50 W 9.53 4.89 0.00 3.17 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 51 Y 8.11 4.78 0.00 2.97 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 52 N 7.41 4.86 0.00 2.74 2.78 0.00 0.00 6.18 8.06 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 53 D 8.62 4.54 0.00 2.71 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 54 G 7.76 3.86 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 0.00 0.00 0.00 55 P 0.00 4.27 0.00 2.06 2.08 0.00 3.64 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 2.04 2.14 0.00 56 S 8.51 4.71 0.00 3.43 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 57 W 7.98 4.52 0.00 3.33 3.28 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 0.00 58 S 9.15 4.53 0.00 3.87 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 59 N 7.52 4.73 0.00 1.88 1.42 0.00 0.00 6.80 7.59 0.00 0.00 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 V 8.54 3.60 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 0.92 0.00 0.00 0.92 0.00 0.00 61 S 8.92 4.12 0.00 4.10 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 0.00 62 F 8.42 4.51 0.00 3.24 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 63 S 7.21 3.17 0.00 3.65 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 64 D 7.34 4.63 0.00 2.69 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 65 I 7.22 4.02 1.07 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.52 -0.20 0.00 0.00 66 Y 7.89 5.22 0.00 2.83 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 67 G 9.06 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 0.00 0.00 0.00 0.00 68 F 8.84 5.37 0.00 2.52 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 69 D 7.70 4.53 0.00 2.61 2.44 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 70 Y 8.53 4.01 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 71 G 8.75 3.79 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 0.00 0.00 0.00 72 D 8.05 4.42 0.00 2.67 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 73 F 8.54 4.07 0.00 3.32 3.46 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 74 A 8.30 4.53 1.30 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 0.00 0.00 75 L 8.34 4.94 0.00 0.27 0.13 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 76 S 9.05 5.13 0.00 3.88 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 77 I 8.41 4.49 1.78 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 1.20 0.94 0.82 0.00 0.00 78 K 8.72 3.85 0.00 1.67 1.70 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.33 7.81 79 S 7.74 4.41 0.00 3.81 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 9.01 4.43 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 81 K 9.50 4.82 0.00 1.71 1.83 0.00 1.26 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.35 7.81 82 L 8.64 3.98 0.00 1.73 1.78 0.92 0.88 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 83 Q 7.92 4.23 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 84 D 8.17 4.65 0.00 2.82 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 85 S 7.87 4.43 0.00 3.99 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 86 G 8.02 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 87 H 8.51 5.41 0.00 3.44 3.22 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 88 Y 9.41 5.26 0.00 3.13 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 89 L 9.43 5.21 0.00 1.80 1.54 1.03 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.76 4.22 0.00 0.27 1.12 0.22 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.91 5.02 0.00 1.78 1.71 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 2.14 2.17 0.00 92 I 8.62 4.75 1.88 0.00 0.00 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 1.16 0.73 0.96 0.00 0.00 93 T 8.72 5.04 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 1.15 0.00 0.00 94 N 8.72 5.17 0.00 2.82 2.95 0.00 0.00 6.36 6.82 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 95 T 8.54 3.84 4.22 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 1.30 0.00 0.00 96 G 8.10 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 0.00 0.00 0.00 97 G 8.18 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 98 K 8.13 4.06 0.00 1.93 1.73 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.36 7.81 99 V 8.20 4.84 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 0.73 0.00 0.00 0.95 0.00 0.00 100 C 9.07 4.98 0.00 3.02 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 0.00 101 N 9.45 5.36 0.00 2.82 2.67 0.00 0.00 6.46 7.69 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 0.00 102 K 9.04 4.81 0.00 1.68 1.72 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.58 7.81 103 N 8.91 5.47 0.00 2.70 2.81 0.00 0.00 6.39 7.83 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 0.00 104 F 9.47 5.21 0.00 3.05 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 Q 9.47 5.14 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 106 L 9.39 5.24 0.00 1.80 1.87 0.94 0.29 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 0.00 107 L 8.99 5.07 0.00 1.81 1.51 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.76 4.92 1.89 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 1.27 1.19 0.91 0.00 0.00 109 L 8.55 4.41 0.00 1.49 1.54 0.93 0.75 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