NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3673 8.1627 118.3293 55.1971 33.4062 173.8525 2 V 4.5345 8.0989 121.1575 60.8875 32.2282 174.7304 3 F 4.2761 9.9401 128.8938 57.5803 40.2495 174.7733 4 E 4.3227 8.8572 120.7745 55.4918 31.0521 176.9236 5 R 3.3077 8.9843 121.8817 60.7255 30.0262 179.4654 6 C 4.3365 8.0349 115.2903 59.6856 35.6160 175.7413 7 E 3.9027 8.0912 120.7288 59.1983 29.2659 178.4646 8 L 3.5177 7.9896 120.1391 57.7657 42.0328 178.6134 9 A 3.9223 7.8375 120.7139 55.4723 18.3708 179.9261 10 R 3.9042 8.0470 116.3730 59.5108 30.1852 179.5636 11 T 3.8295 7.7044 115.5057 66.6290 68.5719 176.7648 12 L 3.8592 8.0733 121.2823 57.5038 41.5799 179.5052 13 K 3.9003 7.9922 119.6345 59.5786 31.9499 178.8966 14 R 3.9523 7.7100 117.6853 59.0331 30.0310 177.5135 15 L 4.3359 7.4390 115.9427 54.1199 41.7634 176.8097 16 G 3.8377 7.8051 106.8933 47.0486 0.0000 175.1746 17 M 3.9215 7.7436 120.9348 56.3691 32.4637 175.9729 18 D 4.4600 8.0245 118.2497 55.6566 41.3266 175.8932 19 G 3.9501 9.3035 115.4160 45.5126 0.0000 171.6484 20 Y 4.2062 8.2752 122.1410 58.7500 38.9503 176.3596 21 R 3.5753 9.0343 126.7550 57.2524 27.7996 177.2733 22 G 3.8144 8.1194 103.7024 45.5711 0.0000 174.0476 23 I 4.0836 7.6921 122.2789 59.1206 37.9432 175.8280 24 S 4.6617 8.3328 120.4399 57.7380 63.9776 174.8799 25 L 4.2087 8.9005 123.5448 58.6994 41.7777 179.4674 26 A 4.1858 8.1816 119.9352 55.1895 18.2276 179.2532 27 N 4.4673 8.1989 115.3619 56.2866 38.5819 177.6906 28 W 4.2042 8.0291 119.9346 59.9467 29.1943 178.3752 29 M 4.1642 8.4353 118.8138 58.5658 31.5502 177.9498 30 C 3.2075 8.0993 118.6199 59.0422 44.7530 175.3929 31 L 3.9791 8.2273 121.7968 58.2603 41.7597 178.8198 32 A 4.1683 8.3916 120.8689 54.9252 18.4120 179.4315 33 K 2.8294 8.1549 118.0868 59.3252 32.0480 179.0196 34 W 4.3358 7.6022 116.7022 58.9008 29.1254 178.2652 35 E 4.3757 8.3112 118.7005 58.4826 29.5833 177.5682 36 S 4.5310 7.9213 109.4105 56.5395 64.7748 174.2712 37 G 3.5825 8.0011 108.5751 47.0591 0.0000 173.1956 38 Y 3.6791 7.7063 112.9973 58.7507 35.3521 168.8800 39 N 5.3503 7.5834 118.2329 51.9203 40.2089 175.4643 40 T 4.1110 8.9032 117.1282 63.7446 69.2101 175.9121 41 R 4.4972 7.9850 116.8808 55.6070 30.1421 176.1997 42 A 4.3073 7.6603 121.5539 52.7623 19.2342 176.9853 43 T 4.9896 8.4432 111.6682 59.9428 72.4954 173.2497 44 N 4.8365 8.8748 122.0730 52.3875 41.8684 172.4382 45 Y 4.6123 8.7412 128.2928 57.3773 40.7357 173.9409 46 N 4.6043 8.4896 124.9183 51.0917 38.5084 175.1603 47 A 3.6727 8.3226 127.3289 54.8357 18.7851 179.3999 48 G 3.7209 7.9520 103.9256 48.0235 0.0000 173.7212 49 D 4.6685 7.3235 114.8486 51.9920 40.5399 175.5239 50 R 3.9613 8.1750 116.5705 56.9708 28.1875 175.8122 51 S 4.9932 7.6494 111.4637 56.9936 66.4130 172.8108 52 T 5.0823 8.7009 116.3791 61.9478 72.4427 172.6746 53 D 5.4521 9.0063 125.3801 53.2196 43.1345 175.0511 54 Y 4.8699 9.1709 121.0131 57.4403 41.5557 177.3328 55 G 4.3549 9.0910 112.1581 46.0361 0.0000 173.3820 56 I 3.8459 8.2356 116.7938 62.8582 37.8020 177.1794 57 F 4.7641 7.9826 115.3772 56.3887 39.9291 175.2746 58 Q 3.6023 7.9977 119.1614 57.1162 26.5154 173.9679 59 I 4.4334 8.1544 119.0743 60.9898 39.3931 176.8384 60 N 5.3158 9.2135 125.9750 53.4159 39.8202 175.6245 61 S 4.7781 9.0013 120.3507 59.9627 63.3110 175.3463 62 R 3.7581 8.8387 122.5855 58.6846 30.3663 177.6314 63 Y 4.2577 7.6755 114.7906 58.0886 40.6537 177.3301 64 W 4.6984 8.0598 118.9872 57.8895 30.2369 173.7626 65 C 5.5982 7.9526 110.6469 53.4139 45.7657 171.8445 66 N 4.8995 8.8192 119.6700 52.2172 39.5424 174.8604 67 D 4.8232 8.5788 123.2569 52.3045 40.4425 178.1323 68 G 4.0718 8.3945 108.7395 45.9711 0.0000 174.7599 69 K 4.4345 7.8780 116.0206 56.6901 33.0894 175.9122 70 T 4.4489 7.7442 116.9880 61.7259 69.5214 172.9269 71 P 4.3176 0.0000 0.0000 63.5915 32.0543 176.1666 72 G 3.9273 8.4766 108.7076 46.4492 0.0000 172.8100 73 A 4.6611 7.7422 118.4557 50.4853 20.8933 177.7796 74 V 4.2933 8.4297 112.9280 59.2649 35.3167 175.7791 75 N 4.9278 8.0266 118.2851 51.7578 37.6312 174.3555 76 A 3.9572 8.8572 125.2610 55.1271 19.1015 178.6192 77 C 4.5422 8.5567 110.7930 57.5644 41.0294 173.0591 78 H 4.0459 7.8296 116.6153 56.5209 26.4282 174.0069 79 L 4.8145 8.2945 117.5293 52.9485 46.5380 176.5695 80 S 4.6667 8.3545 115.1803 57.9631 63.3450 176.0498 81 C 4.1312 8.6563 124.1196 59.6703 40.4691 176.3263 82 S 3.9145 7.6847 115.0617 61.3779 61.6400 176.0090 83 A 4.0310 7.7400 122.3697 54.5881 17.7681 177.9762 84 L 4.4292 7.7576 116.1784 55.1358 41.7107 177.6785 85 L 5.0166 7.8701 117.3359 54.5144 42.4057 176.7640 86 Q 4.3553 7.8176 117.7720 55.4036 29.5370 175.9573 87 D 4.3914 8.5214 119.8709 57.1283 41.1335 176.6912 88 N 4.5423 8.0278 118.1886 53.2433 38.9934 174.5365 89 I 4.2208 8.4460 119.1802 61.1012 37.9545 177.0222 90 A 3.9305 8.4729 125.0715 55.9915 18.2059 180.1608 91 D 4.3004 8.0728 116.5279 57.3786 40.9697 178.6584 92 A 4.1178 7.9907 120.9166 55.0975 18.3521 179.7697 93 V 3.4080 8.1064 116.7534 66.0585 31.7496 178.1435 94 A 3.8265 7.9130 120.5799 55.2150 18.0553 178.8524 95 C 4.2365 8.3464 116.8579 59.6738 38.5645 175.5788 96 A 3.9078 8.0931 122.4637 55.0447 17.6028 179.7663 97 K 3.7847 7.7004 116.3243 59.4325 32.3450 179.2068 98 R 4.0741 7.6982 118.5055 59.3359 29.9938 178.4551 99 V 2.2930 7.5375 118.2649 65.8587 30.9861 177.9979 100 V 3.8898 7.6825 109.6225 62.5868 31.3084 177.7897 101 R 4.0972 7.7269 118.3559 57.4186 30.5363 176.0070 102 D 4.7249 7.3714 118.5906 52.9624 41.8199 175.1814 103 P 4.2350 0.0000 0.0000 66.3586 31.2680 177.8860 104 Q 4.0167 8.1530 117.3303 56.4755 30.0938 177.1094 105 G 3.6954 7.8174 106.8442 46.9715 0.0000 176.5572 106 I 3.5540 7.7891 121.0720 63.4888 37.9060 177.7941 107 R 4.2584 7.3193 117.4059 57.8581 29.9420 177.5109 108 A 3.9049 7.6543 120.8683 54.0094 18.6650 177.4895 109 W 4.7282 8.1199 116.4589 55.2652 30.0221 177.4689 110 V 3.7412 8.7086 123.7377 65.9802 30.8985 177.6414 111 A 4.0669 8.2894 120.1744 54.6918 18.1060 179.2440 112 W 3.9441 8.4213 127.1039 60.6593 30.5652 178.4191 113 R 3.6699 8.1521 116.4102 59.2175 29.6480 178.4259 114 N 4.3620 7.9485 115.2970 55.6166 38.7562 176.8664 115 R 4.1211 7.6373 113.4958 55.9386 30.6433 175.4476 116 C 4.5362 7.6625 116.5872 58.2177 42.5512 174.3357 117 Q 3.3337 6.4495 118.7271 57.3381 28.6961 175.4727 118 N 4.1886 8.6967 119.7509 54.0163 36.2841 173.8145 119 R 4.4847 7.3499 115.9825 54.0810 32.7376 175.8003 120 D 4.5500 8.4301 119.1262 54.1630 40.3488 175.8531 121 V 4.5633 8.2024 118.9878 61.1585 32.3742 178.3579 122 R 4.0335 8.1313 122.5053 59.3343 30.0457 178.8819 123 Q 4.0017 8.0873 114.4920 59.2524 28.3732 177.6357 124 Y 4.3092 7.7833 115.4529 60.0433 38.1488 176.7660 125 V 4.4017 7.8716 110.9498 60.6605 32.9691 175.4872 126 Q 4.1331 8.0115 120.1829 57.2297 28.8341 176.9232 127 G 3.9492 8.8789 110.1019 46.0869 0.0000 174.6196 128 C 4.4100 8.0066 115.8260 56.8745 40.5680 174.0517 129 G 3.8677 8.1398 107.2213 46.6976 0.0000 174.1560 130 V 4.0021 7.8822 118.0929 61.0767 32.0413 175.8375 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 8.16 4.37 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.39 0.00 2 V 8.10 4.53 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 0.95 0.00 0.00 3 F 9.94 4.28 0.00 2.89 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 4 E 8.86 4.32 0.00 1.90 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 2.30 2.24 0.00 5 R 8.98 3.31 0.00 1.94 1.93 0.00 3.43 0.00 0.00 3.48 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 6 C 8.03 4.34 0.00 3.00 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 7 E 8.09 3.90 0.00 2.07 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 0.00 2.62 2.44 0.00 8 L 7.99 3.52 0.00 1.36 1.38 -0.15 0.53 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 9 A 7.84 3.92 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 10 R 8.05 3.90 0.00 1.87 1.99 0.00 3.13 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 11 T 7.70 3.83 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 12 L 8.07 3.86 0.00 1.72 1.58 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.99 3.90 0.00 1.93 1.94 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.71 3.95 0.00 2.00 2.06 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 15 L 7.44 4.34 0.00 1.69 1.54 0.83 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.81 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 0.00 0.00 0.00 17 M 7.74 3.92 0.00 1.35 1.96 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 18 D 8.02 4.46 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.30 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 0.00 0.00 0.00 20 Y 8.28 4.21 0.00 3.32 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 21 R 9.03 3.58 0.00 1.86 1.82 0.00 3.19 0.00 0.00 2.95 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.33 0.00 22 G 8.12 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 0.00 0.00 0.00 23 I 7.69 4.08 1.82 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 0.91 0.94 -0.18 0.00 0.00 24 S 8.33 4.66 0.00 4.06 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 0.00 25 L 8.90 4.21 0.00 2.09 1.82 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.18 4.19 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 27 N 8.20 4.47 0.00 2.83 2.74 0.00 0.00 6.90 7.81 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 28 W 8.03 4.20 0.00 3.56 3.13 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 0.00 29 M 8.44 4.16 0.00 2.17 2.37 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.92 0.00 30 C 8.10 3.21 0.00 2.58 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.23 3.98 0.00 1.85 1.85 0.58 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.39 4.17 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 33 K 8.15 2.83 0.00 1.54 1.75 0.00 0.68 0.00 0.00 1.02 0.00 0.00 2.56 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.11 0.21 7.81 34 W 7.60 4.34 0.00 3.37 3.26 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 35 E 8.31 4.38 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 2.58 2.37 0.00 36 S 7.92 4.53 0.00 4.07 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 0.00 37 G 8.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.68 0.00 3.25 2.98 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 39 N 7.58 5.35 0.00 2.92 2.80 0.00 0.00 7.02 7.10 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 40 T 8.90 4.11 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 1.45 0.00 0.00 41 R 7.98 4.50 0.00 1.98 2.09 0.00 3.14 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 42 A 7.66 4.31 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 43 T 8.44 4.99 4.08 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 1.38 0.00 0.00 44 N 8.87 4.84 0.00 3.03 2.67 0.00 0.00 6.85 7.32 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 45 Y 8.74 4.61 0.00 2.97 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 46 N 8.49 4.60 0.00 2.65 2.59 0.00 0.00 6.57 7.07 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 47 A 8.32 3.67 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 48 G 7.95 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 49 D 7.32 4.67 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 3.96 0.00 2.03 2.19 0.00 3.12 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 51 S 7.65 4.99 0.00 3.95 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 52 T 8.70 5.08 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 53 D 9.01 5.45 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 54 Y 9.17 4.87 0.00 2.95 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 55 G 9.09 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 0.00 0.00 0.00 0.00 56 I 8.24 3.85 1.69 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.78 0.11 0.00 0.00 57 F 7.98 4.76 0.00 3.21 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.00 3.60 0.00 2.53 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.70 0.00 59 I 8.15 4.43 2.15 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 1.14 0.00 0.00 60 N 9.21 5.32 0.00 3.08 3.03 0.00 0.00 6.98 7.33 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 61 S 9.00 4.78 0.00 4.09 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 62 R 8.84 3.76 0.00 1.59 1.31 0.00 2.61 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 63 Y 7.68 4.26 0.00 1.56 1.74 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 64 W 8.06 4.70 0.00 3.68 3.31 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 65 C 7.95 5.60 0.00 3.18 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 66 N 8.82 4.90 0.00 2.80 2.71 0.00 0.00 7.07 8.04 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 67 D 8.58 4.82 0.00 2.97 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 68 G 8.39 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 69 K 7.88 4.43 0.00 1.88 1.92 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.46 7.81 70 T 7.74 4.45 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 1.16 0.00 0.00 71 P 0.00 4.32 0.00 2.01 1.97 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 72 G 8.48 3.93 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 0.00 0.00 0.00 73 A 7.74 4.66 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 74 V 8.43 4.29 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 0.62 0.00 0.00 0.86 0.00 0.00 75 N 8.03 4.93 0.00 2.76 2.59 0.00 0.00 6.75 7.98 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 76 A 8.86 3.96 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 77 C 8.56 4.54 0.00 3.29 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 78 H 7.83 4.05 0.00 3.30 3.36 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.29 4.81 0.00 1.68 1.50 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.35 4.67 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.66 4.13 0.00 2.27 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 82 S 7.68 3.91 0.00 3.78 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 83 A 7.74 4.03 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 84 L 7.76 4.43 0.00 1.92 1.81 1.07 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.87 5.02 0.00 1.75 1.71 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.82 4.36 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 87 D 8.52 4.39 0.00 2.63 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 88 N 8.03 4.54 0.00 2.69 2.76 0.00 0.00 6.97 7.94 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 89 I 8.45 4.22 1.77 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 1.57 0.37 0.99 0.00 0.00 90 A 8.47 3.93 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 91 D 8.07 4.30 0.00 2.75 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 92 A 7.99 4.12 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 93 V 8.11 3.41 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 0.77 0.00 0.00 0.90 0.00 0.00 94 A 7.91 3.83 1.34 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 0.00 0.00 95 C 8.35 4.24 0.00 3.16 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 96 A 8.09 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.70 3.78 0.00 1.66 1.47 0.00 1.30 0.00 0.00 0.85 0.00 0.00 2.22 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.95 7.81 98 R 7.70 4.07 0.00 2.01 2.14 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 99 V 7.54 2.29 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 -0.19 0.00 0.00 -0.66 0.00 0.00 100 V 7.68 3.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.44 0.00 0.00 101 R 7.73 4.10 0.00 2.19 2.06 0.00 3.34 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 102 D 7.37 4.72 0.00 3.05 2.59 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 0.00 103 P 0.00 4.24 0.00 2.15 2.20 0.00 3.77 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 1.98 2.01 0.00 104 Q 8.15 4.02 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.83 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 105 G 7.82 3.70 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 0.00 0.00 0.00 106 I 7.79 3.55 1.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.19 -0.50 0.00 0.00 107 R 7.32 4.26 0.00 2.05 2.04 0.00 3.23 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.53 0.00 108 A 7.65 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.12 4.73 0.00 3.59 3.26 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 0.00 110 V 8.71 3.74 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 1.09 0.00 0.00 1.00 0.00 0.00 111 A 8.29 4.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.42 3.94 0.00 3.48 3.49 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 0.00 0.00 0.00 113 R 8.15 3.67 0.00 2.07 1.98 0.00 3.57 0.00 0.00 3.57 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.08 0.00 114 N 7.95 4.36 0.00 2.66 2.70 0.00 0.00 6.93 7.81 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 0.00 115 R 7.64 4.12 0.00 0.93 0.95 0.00 2.71 0.00 0.00 2.79 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.00 116 C 7.66 4.54 0.00 1.68 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 0.00 117 Q 6.45 3.33 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.69 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 118 N 8.70 4.19 0.00 2.81 2.83 0.00 0.00 6.88 7.66 0.00 0.00 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 R 7.35 4.48 0.00 1.89 1.82 0.00 3.26 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 120 D 8.43 4.55 0.00 2.64 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 0.00 121 V 8.20 4.56 2.41 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 0.95 0.00 0.00 1.06 0.00 0.00 122 R 8.13 4.03 0.00 1.93 2.02 0.00 3.31 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 123 Q 8.09 4.00 0.00 1.95 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.12 0.00 0.00 0.00 0.00 0.00 2.03 1.46 0.00 124 Y 7.78 4.31 0.00 3.24 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 4.40 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 1.05 0.00 0.00 1.06 0.00 0.00 126 Q 8.01 4.13 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.52 2.30 0.00 127 G 8.88 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 0.00 0.00 0.00 128 C 8.01 4.41 0.00 3.05 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.14 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 0.00 130 V 7.88 4.00 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 0.82 0.00 0.00 0.96 0.00 0.00