NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4106 8.2893 120.3486 55.3825 33.1075 174.6740 2 N 4.6839 8.5877 124.0042 51.3386 39.0019 172.9786 3 I 4.5893 8.7995 121.1514 59.5831 41.8894 176.3166 4 I 4.3656 8.3276 123.9513 59.6404 38.4104 175.1259 5 K 4.4584 8.5980 124.7882 54.3857 34.0875 176.1929 6 A 4.5988 8.3770 126.1991 50.7071 21.2010 174.9886 7 N 5.0661 8.1754 116.6964 51.9468 41.8167 175.5607 8 V 3.9236 8.1177 114.1474 62.5407 32.3497 176.2931 9 A 4.2473 8.1595 123.6814 52.0418 18.7048 177.9110 10 A 4.5910 8.2854 121.9147 51.3517 21.4444 174.0664 11 P 4.6756 0.0000 0.0000 64.7556 32.2352 178.7169 12 D 4.7520 8.0706 115.8789 54.2726 40.5942 175.7778 13 A 4.5929 7.6274 124.7050 51.8964 20.0964 178.2572 14 R 4.8368 9.3810 121.1364 55.1014 32.5887 175.7063 15 V 4.9393 8.9410 124.3957 59.9960 34.8425 173.9502 16 A 4.9290 8.4520 128.4188 50.0661 21.6025 175.1702 17 I 4.7960 8.7016 123.4758 59.5341 39.7079 174.6774 18 T 4.7689 8.6443 117.7194 59.9768 70.8352 173.3497 19 I 5.1588 8.3085 126.5348 58.2629 40.5232 174.4570 20 A 5.0934 8.4153 127.7092 51.1572 19.3416 177.9184 21 R 4.4490 9.2757 119.4474 58.4261 30.2767 176.9832 22 F 4.5924 8.1949 121.3835 59.8549 39.7042 174.3365 23 N 4.6595 9.8626 123.8151 54.5152 35.5946 176.0895 24 Q 4.1543 8.3014 120.4601 59.4793 28.0596 177.9636 25 F 3.7571 8.4913 121.4524 61.2008 39.4669 176.4211 26 I 4.2008 8.2821 118.6478 63.6728 37.1721 177.8211 27 N 4.3921 8.2455 116.6254 56.1642 38.2859 176.9825 28 D 4.4929 8.8610 121.2926 57.6180 41.0185 178.7570 29 S 4.0604 7.9660 112.9868 61.1028 62.3558 175.4756 30 L 4.0716 7.7609 123.0863 58.6066 41.6525 178.3257 31 L 3.8614 8.3505 120.5160 57.6741 41.9717 178.6091 32 D 4.5069 8.5048 118.6179 57.3407 40.9962 179.7525 33 G 3.6102 8.1512 105.7408 47.7794 0.0000 175.3339 34 A 3.9058 7.8038 123.2901 54.6716 18.4818 179.4041 35 V 3.4578 7.9160 116.8019 66.2643 31.5789 177.4155 36 D 4.2929 8.1634 117.2058 57.6728 40.9919 177.6269 37 A 3.9128 8.4037 121.0351 55.8458 18.3410 179.0255 38 L 3.8491 8.4902 116.4417 59.3773 41.8314 179.8270 39 T 4.1921 8.3451 110.9638 63.9782 68.5937 176.2378 40 R 3.8545 8.1758 123.9477 58.3171 30.6741 178.0633 41 I 4.0687 7.9949 117.1034 63.5566 37.7833 177.1159 42 G 3.7999 7.9533 106.5289 45.1387 0.0000 174.1886 43 Q 3.7919 8.2710 117.7850 56.3666 26.6281 173.2209 44 V 3.7937 7.5379 119.1880 62.2953 32.1540 175.3408 45 K 4.3238 8.5965 129.0481 56.3595 32.5136 176.6126 46 D 4.6620 8.8108 124.2495 54.0680 39.1086 176.1944 47 D 4.7833 7.9737 117.3080 53.7686 40.1616 176.3362 48 N 4.7111 8.5247 117.7919 53.6464 39.3009 174.0685 49 I 4.8970 7.5806 120.2880 60.2076 38.5082 175.1723 50 T 4.6980 8.8388 117.3436 59.7044 71.8561 172.9786 51 V 4.6106 8.4306 124.0188 61.0477 34.0356 174.5380 52 V 4.3084 8.9727 128.8791 60.7987 33.7104 174.5116 53 W 4.9108 8.9861 129.0999 56.5563 29.5719 176.5026 54 V 4.4392 8.6433 119.0527 59.1433 33.7554 175.1453 55 P 4.3158 0.0000 0.0000 65.3368 31.5712 176.7869 56 G 4.5159 7.9989 108.7998 42.6407 0.0000 174.0755 57 A 4.0742 8.5011 120.8134 54.9072 18.0719 179.3241 58 Y 4.2126 8.1705 117.1232 60.7273 39.1802 177.4482 59 E 4.1271 8.2447 118.8516 57.8446 29.6312 178.5015 60 L 3.8854 7.5329 119.5195 58.0515 41.6122 177.2043 61 P 4.1924 0.0000 0.0000 64.8157 31.2114 177.9666 62 L 3.9376 7.7441 118.0210 58.4551 42.2094 179.1792 63 A 3.9841 7.8541 120.3065 55.6185 18.3385 179.8349 64 T 3.8242 8.1810 108.4224 64.5334 68.7097 176.1211 65 E 3.8423 9.0617 123.1120 59.1935 29.5687 178.2906 66 A 4.0044 8.0226 120.5618 55.5614 18.1871 179.4667 67 L 4.0615 7.5572 114.8183 58.0654 42.0090 179.5372 68 A 4.2213 8.2590 120.5978 55.1554 18.1941 179.8053 69 K 3.9252 8.2498 116.3092 59.6512 32.1637 179.0025 70 S 4.1926 8.2077 112.9782 59.4667 62.0502 175.9732 71 G 3.9615 8.5366 110.4495 46.3704 0.0000 176.1868 72 K 3.8925 7.7174 120.4317 56.3983 31.8276 182.1792 73 Y 5.1030 6.9598 113.9774 56.8096 40.5690 175.4536 74 D 4.7415 9.2441 121.8981 55.9357 41.8344 176.3850 75 A 4.5629 7.4116 117.4731 51.1947 22.5803 175.0602 76 V 4.7053 8.2479 119.7377 61.0323 34.6072 174.5193 77 V 4.3654 8.7174 128.2701 61.5692 33.3651 174.2111 78 A 4.9112 8.5773 130.3705 49.7781 20.6953 175.2547 79 L 4.9658 8.7980 123.8786 53.4033 44.4223 176.4031 80 G 4.1981 7.7971 108.4801 45.9774 0.0000 172.0193 81 T 5.0976 8.5659 116.2844 61.4827 71.7997 174.2759 82 V 4.2163 9.1170 125.3600 61.3202 34.0622 173.8406 83 I 4.7373 8.1771 128.7327 59.5338 38.6320 176.0004 84 R 3.6424 8.4852 128.0170 56.6179 30.2450 176.3833 85 G 4.4004 8.3635 116.2607 44.3835 0.0000 173.0598 86 G 3.6453 8.7773 107.7699 47.4459 0.0000 173.3132 87 T 4.5300 7.5881 108.3382 59.6732 71.5045 173.5214 88 A 4.4490 8.3700 121.3380 52.7698 18.7994 178.6828 89 H 4.2683 8.3697 119.9447 60.2999 29.8420 176.8894 90 F 4.0209 8.4988 121.9218 61.5967 38.9641 176.6982 91 E 3.6259 8.0555 118.4684 59.4737 29.3571 178.3577 92 Y 4.3264 7.3863 115.9432 60.7229 38.2499 177.5436 93 V 3.6856 7.6706 119.3071 65.8093 31.6433 177.8002 94 A 4.0782 7.8216 120.1480 55.1230 18.0701 179.7545 95 G 3.5992 8.0981 104.6443 47.8332 0.0000 176.1188 96 G 3.8466 8.6339 108.3301 45.8324 0.0000 174.8303 97 A 4.2611 7.8487 122.6850 54.3590 19.6438 179.1890 98 S 4.1208 8.1836 111.6849 61.8147 62.3807 176.2390 99 N 4.4276 8.5121 119.4570 56.0101 38.3341 177.3149 100 G 3.7482 7.7029 106.2528 48.1161 0.0000 175.3761 101 L 3.9944 8.0406 121.5480 57.2812 41.9075 179.6625 102 A 3.9839 7.9842 120.5074 55.0647 18.2527 179.5912 103 S 3.9586 8.3069 111.7643 61.5224 62.4721 176.1545 104 V 3.5484 7.7933 120.7336 66.2593 31.1252 177.7213 105 A 4.3075 7.8574 121.3072 54.8152 18.0121 179.4388 106 Q 3.9044 7.6495 116.2970 59.1728 29.1413 177.8419 107 D 4.5200 8.0462 119.4574 57.1140 41.2458 178.5623 108 S 4.3269 8.2805 112.8958 58.8584 63.3994 175.6543 109 G 3.8978 8.1171 109.4466 45.6875 0.0000 173.7407 110 V 3.9455 7.4327 121.0985 61.6775 32.9748 173.6309 111 P 4.4896 0.0000 0.0000 62.6577 32.5360 175.1555 112 V 4.9064 8.3822 123.3791 61.0297 34.0185 174.2588 113 A 4.4414 8.9574 130.4706 51.0057 20.4119 176.2536 114 F 4.8193 9.0142 126.6035 56.1614 38.5358 175.9067 115 G 3.9792 8.0593 118.0280 44.9576 0.0000 170.9567 116 V 4.6316 6.1000 117.6674 60.5726 33.8361 176.0377 117 L 4.2670 8.8611 129.6164 55.1210 42.7937 176.6252 118 T 5.4681 8.7651 112.7467 58.7445 69.0449 172.5880 119 T 4.6224 8.2125 120.7958 60.9484 72.1137 174.8906 120 E 4.1257 9.8213 120.6705 57.2612 30.5160 177.2356 121 S 4.7120 7.5891 112.0114 55.5992 67.6331 174.8022 122 I 3.6843 8.2336 123.1452 64.2560 36.8428 177.9808 123 E 3.9168 8.2491 119.8658 59.7865 29.1274 178.9893 124 Q 4.1766 7.8987 116.0048 58.8076 29.1065 178.2619 125 A 4.1631 7.8026 121.9567 55.3821 18.3236 179.6982 126 I 3.7447 7.8842 118.2132 64.6871 37.1306 178.5435 127 E 4.5522 8.0578 120.1851 58.0946 29.2445 178.4532 128 R 4.5423 7.9067 115.5894 55.6636 30.5404 176.6765 129 A 4.8284 7.2342 121.9200 52.6917 19.4926 177.0729 130 G 4.4558 7.9182 107.9979 48.2049 0.0000 175.4365 131 T 4.6197 7.5173 115.5601 60.0815 68.8146 175.7318 132 K 3.7918 9.2283 117.1102 59.3407 31.7474 177.7926 133 A 4.5708 7.7927 119.2693 52.0423 20.0084 178.9527 134 G 3.7370 8.1210 110.3358 47.3713 0.0000 173.9343 135 N 5.2927 8.2456 117.9571 50.9447 40.9456 175.5278 136 K 3.9767 8.9667 129.0574 59.1493 32.0762 179.0715 137 G 4.0903 8.2567 107.6674 47.3966 0.0000 175.5988 138 A 4.0420 7.8658 123.3563 54.2912 18.4426 179.2054 139 E 3.8276 8.5246 118.0435 59.4192 29.7383 178.9615 140 A 4.0450 8.5767 122.2573 54.3155 18.3863 179.3792 141 A 3.8762 8.1592 119.4584 55.3197 18.4136 179.7633 142 L 3.9001 8.0900 117.7602 58.3189 41.3300 180.0099 143 T 3.8298 8.1388 109.2628 64.6557 68.4470 175.9851 144 A 3.9903 7.9396 123.8786 55.1025 18.3577 179.0349 145 L 3.8677 7.9155 116.7081 58.2155 41.8108 179.2835 146 E 4.1723 8.4064 120.1680 59.1412 29.4282 179.0903 147 M 4.0570 7.9755 117.9177 58.3392 31.9627 178.4348 148 I 3.6962 7.7043 119.9535 64.8879 37.3120 178.2052 149 N 4.3418 7.9839 116.5723 56.1245 38.1413 177.5882 150 V 3.5812 7.9558 119.2386 66.3196 31.7645 177.7708 151 L 4.0707 8.4996 119.0404 57.5704 41.3074 179.4072 152 K 3.9935 8.1770 119.3806 59.4317 32.3669 177.1582 153 A 4.4722 8.0379 120.1821 51.7431 19.3779 177.2649 154 I 3.9072 7.9374 121.1733 63.1456 37.6981 174.0237 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 1 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.68 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.80 4.59 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 1.41 0.67 0.91 0.00 0.00 4 I 8.33 4.37 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 1.41 0.60 0.91 0.00 0.00 5 K 8.60 4.46 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.38 4.60 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 7 N 8.18 5.07 0.00 2.73 2.64 0.00 0.00 6.86 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 8 V 8.12 3.92 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 0.86 0.00 0.00 0.93 0.00 0.00 9 A 8.16 4.25 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 10 A 8.29 4.59 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 11 P 0.00 4.68 0.00 2.23 2.37 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.07 4.75 0.00 2.69 2.72 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 13 A 7.63 4.59 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 14 R 9.38 4.84 0.00 1.43 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.94 4.94 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 0.88 0.00 0.00 0.95 0.00 0.00 16 A 8.45 4.93 0.27 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 17 I 8.70 4.80 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.74 0.00 0.00 18 T 8.64 4.77 4.13 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 0.00 0.00 0.00 1.09 0.00 0.00 19 I 8.31 5.16 0.74 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 0.79 -0.15 0.44 0.00 0.00 20 A 8.42 5.09 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 21 R 9.28 4.45 0.00 2.10 2.52 0.00 2.87 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 22 F 8.19 4.59 0.00 3.17 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 23 N 9.86 4.66 0.00 2.97 2.99 0.00 0.00 6.88 8.16 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 24 Q 8.30 4.15 0.00 2.54 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.49 3.76 0.00 3.12 3.19 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 26 I 8.28 4.20 2.11 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 1.66 1.15 0.95 0.00 0.00 27 N 8.25 4.39 0.00 2.87 2.91 0.00 0.00 7.10 8.08 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 28 D 8.86 4.49 0.00 2.67 2.72 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 29 S 7.97 4.06 0.00 3.81 3.96 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 0.00 0.00 0.00 30 L 7.76 4.07 0.00 1.93 1.63 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.35 3.86 0.00 1.79 1.78 0.77 1.16 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 32 D 8.50 4.51 0.00 2.87 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 33 G 8.15 3.61 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 0.00 0.00 0.00 34 A 7.80 3.91 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 35 V 7.92 3.46 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 0.97 0.00 0.00 0.91 0.00 0.00 36 D 8.16 4.29 0.00 2.82 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 37 A 8.40 3.91 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 38 L 8.49 3.85 0.00 1.85 1.72 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.35 4.19 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 1.22 0.00 0.00 40 R 8.18 3.85 0.00 1.81 2.25 0.00 3.24 0.00 0.00 3.46 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 41 I 7.99 4.07 2.08 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 1.23 0.96 0.91 0.00 0.00 42 G 7.95 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 0.00 0.00 0.00 43 Q 8.27 3.79 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 V 7.54 3.79 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 0.93 0.00 0.00 1.04 0.00 0.00 45 K 8.60 4.32 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.66 0.00 2.83 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 47 D 7.97 4.78 0.00 2.79 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 48 N 8.52 4.71 0.00 2.88 2.99 0.00 0.00 6.91 7.23 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 49 I 7.58 4.90 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.84 4.70 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 1.52 0.00 0.00 51 V 8.43 4.61 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 0.50 0.00 0.00 0.83 0.00 0.00 52 V 8.97 4.31 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.99 4.91 0.00 3.21 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 V 8.64 4.44 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 0.86 0.00 0.00 1.04 0.00 0.00 55 P 0.00 4.32 0.00 2.19 2.33 0.00 3.74 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 2.16 2.04 0.00 56 G 8.00 4.52 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 0.00 57 A 8.50 4.07 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 58 Y 8.17 4.21 0.00 2.92 3.11 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 0.00 0.00 0.00 0.00 59 E 8.24 4.13 0.00 2.00 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 0.00 2.65 2.58 0.00 60 L 7.53 3.89 0.00 1.78 1.71 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.19 0.00 2.03 1.86 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 62 L 7.74 3.94 0.00 1.63 1.67 0.92 0.88 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 63 A 7.85 3.98 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 64 T 8.18 3.82 4.19 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 1.18 0.00 0.00 65 E 9.06 3.84 0.00 2.03 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 0.00 2.31 2.34 0.00 66 A 8.02 4.00 1.41 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 0.00 0.00 67 L 7.56 4.06 0.00 1.77 1.66 0.63 0.74 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 68 A 8.26 4.22 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 69 K 8.25 3.93 0.00 1.85 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.60 7.81 70 S 8.21 4.19 0.00 3.91 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 0.00 71 G 8.54 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.72 3.89 0.00 1.82 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.29 7.81 73 Y 6.96 5.10 0.00 3.08 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 74 D 9.24 4.74 0.00 2.55 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 75 A 7.41 4.56 1.22 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 76 V 8.25 4.71 2.03 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 0.92 0.00 0.00 0.85 0.00 0.00 77 V 8.72 4.37 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 0.89 0.00 0.00 0.88 0.00 0.00 78 A 8.58 4.91 1.18 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 79 L 8.80 4.97 0.00 1.51 1.40 0.80 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.80 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 0.00 0.00 0.00 81 T 8.57 5.10 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 1.19 0.00 0.00 82 V 9.12 4.22 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 0.88 0.00 0.00 0.87 0.00 0.00 83 I 8.18 4.74 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.88 0.00 0.00 84 R 8.49 3.64 0.00 0.67 1.38 0.00 3.07 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.00 85 G 8.36 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 0.00 0.00 0.00 0.00 86 G 8.78 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 0.00 0.00 0.00 87 T 7.59 4.53 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 1.24 0.00 0.00 88 A 8.37 4.45 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 89 H 8.37 4.27 0.00 3.31 3.41 0.00 5.62 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 90 F 8.50 4.02 0.00 3.11 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 91 E 8.06 3.63 0.00 1.94 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 2.02 2.19 0.00 92 Y 7.39 4.33 0.00 2.98 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 93 V 7.67 3.69 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 1.05 0.00 0.00 0.73 0.00 0.00 94 A 7.82 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.10 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 96 G 8.63 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 97 A 7.85 4.26 1.44 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 98 S 8.18 4.12 0.00 3.69 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 99 N 8.51 4.43 0.00 2.79 2.83 0.00 0.00 6.94 8.42 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 0.00 100 G 7.70 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 0.00 101 L 8.04 3.99 0.00 1.88 1.82 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.98 3.98 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 0.00 103 S 8.31 3.96 0.00 3.98 4.02 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 0.00 104 V 7.79 3.55 2.23 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 1.03 0.00 0.00 0.91 0.00 0.00 105 A 7.86 4.31 1.41 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 0.00 0.00 106 Q 7.65 3.90 0.00 2.09 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.05 4.52 0.00 2.70 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 0.00 108 S 8.28 4.33 0.00 4.03 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 0.00 109 G 8.12 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 0.00 110 V 7.43 3.95 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 0.96 0.00 0.00 0.98 0.00 0.00 111 P 0.00 4.49 0.00 2.12 1.96 0.00 3.77 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 2.09 0.00 112 V 8.38 4.91 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 0.81 0.00 0.00 0.99 0.00 0.00 113 A 8.96 4.44 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 0.00 114 F 9.01 4.82 0.00 3.00 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 0.00 115 G 8.06 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 116 V 6.10 4.63 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 0.68 0.00 0.00 -0.11 0.00 0.00 117 L 8.86 4.27 0.00 1.59 1.58 0.92 0.27 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 0.00 118 T 8.77 5.47 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 1.24 0.00 0.00 119 T 8.21 4.62 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 1.23 0.00 0.00 120 E 9.82 4.13 0.00 1.94 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 2.30 0.00 121 S 7.59 4.71 0.00 3.95 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 0.00 122 I 8.23 3.68 1.84 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 1.48 0.63 0.87 0.00 0.00 123 E 8.25 3.92 0.00 2.07 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 2.38 2.49 0.00 124 Q 7.90 4.18 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 125 A 7.80 4.16 1.38 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 0.00 0.00 126 I 7.88 3.74 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.13 0.99 0.00 0.00 127 E 8.06 4.55 0.00 2.25 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 0.00 2.34 2.40 0.00 128 R 7.91 4.54 0.00 1.88 1.94 0.00 3.12 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 129 A 7.23 4.83 1.28 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 0.00 0.00 130 G 7.92 4.46 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 0.00 131 T 7.52 4.62 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 1.27 0.00 0.00 132 K 9.23 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.79 4.57 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 0.00 134 G 8.12 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 0.00 0.00 0.00 135 N 8.25 5.29 0.00 2.69 2.65 0.00 0.00 6.93 7.40 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 0.00 136 K 8.97 3.98 0.00 1.81 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.26 4.09 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 0.00 138 A 7.87 4.04 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 E 8.52 3.83 0.00 2.03 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 2.31 2.33 0.00 140 A 8.58 4.05 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 0.00 141 A 8.16 3.88 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 0.00 142 L 8.09 3.90 0.00 1.99 1.73 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.14 3.83 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 1.29 0.00 0.00 144 A 7.94 3.99 1.40 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 0.00 0.00 145 L 7.92 3.87 0.00 1.86 1.88 1.01 0.86 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 0.00 146 E 8.41 4.17 0.00 2.01 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 0.00 2.32 2.24 0.00 147 M 7.98 4.06 0.00 2.11 2.37 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 148 I 7.70 3.70 2.06 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 1.68 0.78 0.92 0.00 0.00 149 N 7.98 4.34 0.00 2.84 2.86 0.00 0.00 6.73 9.02 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 0.00 150 V 7.96 3.58 2.23 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 0.83 0.00 0.00 0.97 0.00 0.00 151 L 8.50 4.07 0.00 1.93 1.67 0.92 0.67 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 0.00 152 K 8.18 3.99 0.00 1.84 2.07 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 153 A 8.04 4.47 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 0.00 154 I 7.94 3.91 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 1.16 0.73 0.91 0.00 0.00