NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5041 0.0000 0.0000 61.9363 33.4367 175.2149 3 E 4.3176 8.9130 125.5612 56.1077 30.1135 174.7479 4 I 4.1607 9.5247 130.0184 61.2907 38.7237 175.2435 5 R 4.4872 8.6138 125.0857 55.3182 31.9330 175.0653 6 L 4.8886 8.3750 123.1079 53.4756 43.0624 176.2330 7 R 4.2474 9.4993 126.4168 58.8116 30.3365 175.7931 8 H 4.8422 7.7388 111.6481 54.4659 32.4939 171.3997 9 V 4.1271 8.1287 119.0144 62.1557 31.2993 175.7202 10 V 3.9779 8.8819 129.6363 65.6843 32.1316 175.9245 11 S 4.6586 7.6483 112.1854 57.8443 66.2100 173.4934 12 C 4.9379 8.1848 120.6509 58.3895 33.5108 174.0060 13 S 4.3696 9.3622 122.4360 61.2548 63.4245 174.7523 14 S 4.6076 8.0415 110.8131 57.5942 64.8324 174.0788 15 Q 5.5837 8.3441 122.6985 55.9535 30.9354 173.3188 16 D 4.7561 8.4594 119.1231 53.1448 42.5057 176.6282 17 S 4.3044 8.5715 117.6787 60.9255 63.5904 175.5072 18 T 4.1930 8.0891 109.6775 63.8231 69.7665 175.6105 19 H 4.9464 8.1130 122.3217 53.0793 27.3666 174.2222 20 C 5.0228 7.7028 118.0134 56.2422 32.1981 175.5268 21 A 3.5495 9.8526 125.6443 55.9065 17.5148 180.4441 22 E 3.8849 8.2214 116.1327 61.2955 29.4311 181.4633 23 N 4.7189 8.0269 113.9782 55.6760 38.6479 176.3436 24 L 4.4585 7.8856 119.1754 55.5410 42.1829 177.7330 25 L 4.1275 7.7434 121.4430 57.3032 41.8216 178.3485 26 K 4.6051 7.7803 119.0841 52.3431 35.2770 180.1449 27 A 4.2167 8.7581 128.9591 54.3444 18.7526 179.6378 28 D 4.1497 8.0389 114.1466 56.5490 38.7471 183.2155 29 T 3.7123 7.3369 113.7211 64.9067 68.5493 175.3784 30 Y 4.0002 6.9667 115.7208 58.8290 35.8924 169.2954 31 R 4.7438 7.3227 118.0749 54.5926 32.2642 175.8651 32 K 4.9484 8.4317 119.6552 54.6591 35.7718 174.6226 33 W 5.2000 8.9042 132.1406 56.0016 32.8739 174.9585 34 R 4.5977 8.9407 124.9892 53.6784 33.8566 174.6355 35 A 4.1712 7.7694 122.4762 51.7164 18.9319 178.9158 36 A 4.2811 8.7919 124.3034 54.6790 18.7368 178.4430 37 K 4.6279 7.2214 112.7748 54.3127 36.2794 176.1619 38 A 4.2908 8.3233 123.9708 53.4718 18.8871 178.3364 39 G 3.9329 8.9705 108.6686 45.2254 0.0000 173.3774 40 E 4.2831 7.8954 119.5845 55.5364 29.8421 176.7591 41 K 4.3157 8.8287 124.7066 59.2760 33.1850 177.0190 42 T 5.5612 7.8178 107.4541 60.3368 72.0793 173.1140 43 I 4.8808 8.9981 115.3265 60.0055 41.8483 173.5423 44 S 5.3398 9.3306 116.1500 57.5278 66.2986 173.1154 45 V 4.6587 8.4385 116.9644 59.7446 36.4402 173.8881 46 V 4.5625 8.5673 124.6447 61.1540 33.7185 174.1961 47 L 4.9344 8.9960 128.3161 53.0508 44.4522 175.1011 48 Q 4.8539 8.9659 124.9242 54.6634 30.3754 175.1313 49 L 4.5712 8.6481 127.2412 54.6521 42.0621 177.2709 50 E 4.3063 8.7651 121.7951 58.9517 29.8727 177.2616 51 K 4.7428 7.7260 115.6406 54.5999 36.3338 175.8457 52 E 4.3998 8.6921 122.1746 56.5995 30.1388 175.6119 53 E 4.8141 9.6499 125.3018 55.0320 35.1665 173.7078 54 Q 4.8235 8.6619 123.0547 55.5204 30.7985 174.2685 55 I 4.7609 8.5684 127.3173 60.9776 37.8141 174.7641 56 H 4.7421 9.8018 127.7495 57.9340 31.1297 174.9119 57 S 5.0375 7.9674 110.4604 57.0242 66.4775 173.0267 58 V 4.7764 8.9787 123.5349 61.5152 34.7038 173.5068 59 D 5.4874 9.2187 128.4554 52.8164 43.3436 175.4866 60 I 4.3725 8.9755 123.9118 59.3707 40.5803 174.7014 61 G 3.4915 7.6372 115.3596 44.2623 0.0000 172.9213 62 N 4.6667 8.8787 125.9021 52.7022 40.9137 174.1631 63 D 4.7131 8.0377 115.4702 53.3534 41.1091 176.3067 64 G 4.1033 8.8043 107.1004 45.4162 0.0000 173.2356 65 S 4.1492 7.6733 114.9333 58.1154 63.8856 173.8018 66 A 4.3510 8.7056 124.9852 53.2873 20.4462 177.3824 67 F 5.5160 7.9136 112.1212 55.8547 43.7133 174.5230 68 V 4.9137 9.2001 121.0491 61.2381 35.0237 173.6895 69 E 5.0626 9.7157 128.2190 54.3092 33.1668 174.3826 70 V 4.8514 8.5492 125.3900 61.1680 34.4481 174.3032 71 L 5.2291 9.2255 127.2821 53.1450 45.5281 175.7641 72 V 4.6020 8.6156 113.7270 59.9227 35.6531 175.3622 73 G 3.9295 8.5004 109.4323 45.5596 0.0000 171.1488 74 S 6.1098 8.5697 113.3753 55.5175 64.8114 174.6385 75 S 4.2847 9.2751 118.8988 59.7458 63.6179 174.3883 76 A 4.0326 7.8202 125.5634 52.9690 18.4551 177.2713 77 G 3.7121 9.2536 110.9970 46.3166 0.0000 175.2864 78 G 3.7995 8.4265 109.8623 44.3916 0.0000 173.4794 79 A 4.3579 8.2467 121.4236 50.8938 19.9178 176.4055 80 G 4.0589 8.8020 112.5157 44.4350 0.0000 174.0054 81 E 3.9484 8.7598 117.6385 59.9495 29.3844 179.6434 82 Q 4.2460 8.0645 113.2535 56.4665 28.3685 176.1865 83 D 4.6044 7.7271 119.4683 55.2661 42.3397 176.3111 84 Y 4.2848 7.2745 117.7197 57.4157 38.4870 175.3775 85 E 4.2769 8.7894 125.9345 55.4693 31.5048 175.3398 86 V 3.9377 8.2009 125.5461 62.9217 32.0151 174.7855 87 L 4.3335 9.0102 130.2767 56.4625 43.9106 175.5118 88 L 4.9693 7.5595 123.4973 52.6895 43.8173 175.7788 89 V 4.0462 8.4406 126.2715 61.7261 32.3253 175.8309 90 T 4.0461 8.3955 117.9131 64.7045 68.7930 173.2826 91 S 4.9824 9.2922 122.6298 56.6335 66.3141 173.5546 92 S 4.9079 8.7931 118.3180 58.2543 62.7244 173.5618 93 F 4.6957 9.0167 122.6152 57.1527 41.1484 174.9084 94 M 4.6835 7.6644 116.5960 53.2383 35.1063 174.7410 95 S 4.3118 8.7734 121.5521 56.7205 65.8296 173.7029 96 P 3.4487 0.0000 0.0000 65.5289 30.9310 179.1319 97 S 4.0311 7.7314 113.2218 61.6253 62.7610 176.4583 98 E 3.9263 7.9829 121.1173 59.5901 28.9988 179.5428 99 S 4.0575 8.1834 114.1911 61.8175 62.9614 176.8139 100 R 4.0963 8.3217 120.3966 58.6603 29.9358 178.4174 101 S 4.5662 8.1346 111.8926 57.9549 63.6781 175.1228 102 G 3.8601 8.5458 110.8386 46.0658 0.0000 173.4338 103 S 4.2987 7.9094 114.8549 58.8498 64.1866 174.0862 104 N 4.1612 8.5787 120.5685 54.2101 35.6631 172.7369 105 P 4.5192 0.0000 0.0000 63.6500 33.1753 178.9367 106 N 5.0490 7.9484 115.1487 51.8178 39.8451 174.7274 107 R 4.0110 8.0820 120.7166 57.3178 30.9533 175.1467 108 V 5.0551 8.5064 125.6321 60.1695 33.5860 175.3381 109 R 4.4767 9.2061 122.9773 54.4602 33.8571 173.7744 110 M 4.7914 8.2327 122.7959 53.9435 34.5123 175.2956 111 F 4.6433 9.3328 124.0344 55.7550 42.4702 175.2877 112 G 4.2791 8.4755 114.0530 43.7452 0.0000 171.0150 113 P 4.3623 0.0000 0.0000 65.3073 31.3305 178.5365 114 D 4.2462 8.0585 116.3089 55.0380 39.7881 177.0383 115 K 4.3965 7.8976 117.5393 56.4823 32.8380 176.5320 116 L 4.6199 7.0851 118.7518 53.2527 43.0829 176.6850 117 V 3.8879 8.5594 115.3213 61.4865 31.9649 177.9775 118 R 4.1102 8.6546 123.2383 57.9973 29.9382 178.8855 119 A 4.0250 7.9855 119.9310 55.2237 18.7291 179.0368 120 A 4.4412 8.0672 118.6618 55.2863 18.4279 179.3311 121 A 4.2678 8.2690 117.9007 54.4400 18.4886 178.9385 122 E 4.1205 7.9617 117.8137 57.9085 29.9556 176.6839 123 K 4.2929 7.5657 117.4781 55.3888 34.0101 176.2203 124 R 4.7217 7.6570 119.3614 54.6804 32.1399 175.9542 125 W 5.4285 9.1593 121.7001 55.3400 34.4270 174.9644 126 D 5.0217 8.9172 116.2866 52.9753 41.2856 174.8856 127 R 5.2246 8.4569 118.4784 54.7084 34.4339 174.8141 128 V 4.5759 8.5872 121.4159 61.2995 35.0606 173.5457 129 K 4.6916 9.0814 130.2381 54.7340 34.3131 174.6790 130 I 4.8790 8.6145 128.6223 59.5542 39.9352 174.5275 131 V 4.8876 9.1275 127.7233 61.3143 33.7931 173.9697 132 C 5.4506 9.2377 125.4640 58.1776 31.2962 173.1893 133 S 5.0776 9.1939 118.3592 57.1408 66.6982 173.3790 134 Q 4.0788 8.3991 124.0801 54.5544 28.8677 172.4057 135 P 4.2977 0.0000 0.0000 63.1572 32.1744 176.6450 136 Y 4.5722 7.5246 114.6967 58.5260 38.4995 175.7064 137 S 4.5357 7.7855 113.7951 57.2354 65.2636 173.4116 138 K 4.5618 8.5824 125.5207 56.3835 32.3770 176.9483 139 D 4.5581 7.8038 121.2972 56.6445 41.0004 176.7588 140 S 4.7519 7.5675 112.4791 55.7727 66.9822 171.9808 141 P 4.4392 0.0000 0.0000 62.8050 31.8677 175.6960 142 F 5.0699 7.4828 114.5738 55.3033 41.8590 173.9766 143 G 3.6054 7.4482 110.7087 46.1572 0.0000 173.1806 144 L 4.7843 7.8384 123.4794 53.1104 45.2812 177.4790 145 S 4.4585 9.3803 117.5273 60.8180 63.3167 173.5924 146 F 5.1486 7.5007 112.4659 56.3795 41.2694 173.0704 147 V 4.8103 8.3839 117.4989 60.5838 34.1201 173.8723 148 R 4.6242 8.9365 123.4122 54.3889 33.3579 174.4981 149 F 5.3064 8.7576 122.0881 56.2495 41.9542 174.4611 150 H 5.5436 8.9984 118.3282 54.1497 32.7930 173.4702 151 S 5.5611 9.1186 117.3644 56.0511 64.6859 172.1217 152 P 4.2953 0.0000 0.0000 62.0600 31.9159 175.1581 153 P 4.3923 0.0000 0.0000 62.8947 31.3765 176.3574 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 P 0.00 4.50 0.00 2.13 2.07 0.00 3.84 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 2.03 2.11 0.00 3 E 8.91 4.32 0.00 2.13 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 2.44 2.38 0.00 4 I 9.52 4.16 2.02 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.95 0.00 0.00 5 R 8.61 4.49 0.00 1.87 1.85 0.00 3.11 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 6 L 8.38 4.89 0.00 1.65 1.58 1.10 0.92 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 7 R 9.50 4.25 0.00 1.80 2.14 0.00 3.30 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 8 H 7.74 4.84 0.00 3.17 3.32 0.00 5.50 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.13 4.13 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 0.66 0.00 0.00 0.83 0.00 0.00 10 V 8.88 3.98 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 0.82 0.00 0.00 0.81 0.00 0.00 11 S 7.65 4.66 0.00 3.86 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 12 C 8.18 4.94 0.00 2.75 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 S 9.36 4.37 0.00 3.89 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 14 S 8.04 4.61 0.00 3.84 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 15 Q 8.34 5.58 0.00 2.42 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 16 D 8.46 4.76 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.57 4.30 0.00 4.02 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 18 T 8.09 4.19 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 19 H 8.11 4.95 0.00 3.31 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 7.70 5.02 0.00 3.30 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 9.85 3.55 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 22 E 8.22 3.88 0.00 1.98 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 2.32 1.99 0.00 23 N 8.03 4.72 0.00 3.06 3.08 0.00 0.00 6.99 7.90 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 24 L 7.89 4.46 0.00 1.65 1.77 0.89 1.31 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 25 L 7.74 4.13 0.00 1.59 1.74 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.78 4.61 0.00 1.62 1.61 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 0.97 7.81 27 A 8.76 4.22 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 28 D 8.04 4.15 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.34 3.71 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 1.18 0.00 0.00 30 Y 6.97 4.00 0.00 3.34 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 31 R 7.32 4.74 0.00 1.96 2.00 0.00 3.15 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 32 K 8.43 4.95 0.00 1.74 1.82 0.00 1.62 0.00 0.00 1.97 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.50 7.81 33 W 8.90 5.20 0.00 3.47 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 34 R 8.94 4.60 0.00 1.64 1.53 0.00 3.02 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.36 0.00 35 A 7.77 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.79 4.28 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 37 K 7.22 4.63 0.00 1.86 1.65 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.51 7.81 38 A 8.32 4.29 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 39 G 8.97 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 40 E 7.90 4.28 0.00 2.00 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 2.32 2.32 0.00 41 K 8.83 4.32 0.00 1.71 1.83 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.42 7.81 42 T 7.82 5.56 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 1.22 0.00 0.00 43 I 9.00 4.88 1.89 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 0.87 0.45 0.63 0.00 0.00 44 S 9.33 5.34 0.00 3.91 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 45 V 8.44 4.66 1.54 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 -0.78 0.00 0.00 0.29 0.00 0.00 46 V 8.57 4.56 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 0.98 0.00 0.00 0.68 0.00 0.00 47 L 9.00 4.93 0.00 1.46 1.45 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.97 4.85 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 49 L 8.65 4.57 0.00 1.66 1.58 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.77 4.31 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 51 K 7.73 4.74 0.00 1.69 1.72 0.00 1.59 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.43 7.81 52 E 8.69 4.40 0.00 1.99 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 2.37 2.34 0.00 53 E 9.65 4.81 0.00 1.92 1.81 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 2.25 2.49 0.00 54 Q 8.66 4.82 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 55 I 8.57 4.76 2.04 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 1.37 0.85 1.18 0.00 0.00 56 H 9.80 4.74 0.00 3.20 3.55 0.00 5.94 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.97 5.04 0.00 3.99 3.78 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 58 V 8.98 4.78 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 0.83 0.00 0.00 1.14 0.00 0.00 59 D 9.22 5.49 0.00 2.82 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 60 I 8.98 4.37 2.32 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 1.38 1.63 0.54 0.00 0.00 61 G 7.64 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 0.00 0.00 0.00 62 N 8.88 4.67 0.00 2.92 2.90 0.00 0.00 6.27 8.09 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 63 D 8.04 4.71 0.00 2.83 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 64 G 8.80 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 0.00 0.00 0.00 0.00 65 S 7.67 4.15 0.00 3.95 3.88 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 66 A 8.71 4.35 1.13 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 0.00 0.00 67 F 7.91 5.52 0.00 2.93 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 68 V 9.20 4.91 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 0.94 0.00 0.00 0.41 0.00 0.00 69 E 9.72 5.06 0.00 1.99 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 2.33 0.00 70 V 8.55 4.85 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 1.13 0.00 0.00 0.99 0.00 0.00 71 L 9.23 5.23 0.00 1.47 1.64 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.62 4.60 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 0.00 0.00 0.40 0.00 0.00 -0.12 0.00 0.00 73 G 8.50 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 74 S 8.57 6.11 0.00 3.96 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 9.28 4.28 0.00 4.03 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 0.00 76 A 7.82 4.03 1.25 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 0.00 0.00 0.00 77 G 9.25 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 0.00 0.00 0.00 78 G 8.43 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 79 A 8.25 4.36 1.13 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 0.00 0.00 80 G 8.80 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.76 3.95 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 82 Q 8.06 4.25 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 83 D 7.73 4.60 0.00 2.65 2.36 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 84 Y 7.27 4.28 0.00 3.03 2.77 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 85 E 8.79 4.28 0.00 1.78 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 2.35 2.29 0.00 86 V 8.20 3.94 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 0.76 0.00 0.00 0.96 0.00 0.00 87 L 9.01 4.33 0.00 1.64 1.68 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.56 4.97 0.00 1.65 1.38 0.47 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.44 4.05 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 0.76 0.00 0.00 0.92 0.00 0.00 90 T 8.40 4.05 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 1.16 0.00 0.00 91 S 9.29 4.98 0.00 3.87 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 92 S 8.79 4.91 0.00 3.98 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 93 F 9.02 4.70 0.00 2.83 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 94 M 7.66 4.68 0.00 1.86 2.06 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 95 S 8.77 4.31 0.00 3.92 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 96 P 0.00 3.45 0.00 1.84 1.51 0.00 3.27 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.68 0.00 97 S 7.73 4.03 0.00 3.78 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 98 E 7.98 3.93 0.00 2.11 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 2.28 2.29 0.00 99 S 8.18 4.06 0.00 4.01 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 0.00 100 R 8.32 4.10 0.00 1.95 1.98 0.00 3.15 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 101 S 8.13 4.57 0.00 4.02 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 0.00 102 G 8.55 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 0.00 103 S 7.91 4.30 0.00 3.85 3.78 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 0.00 104 N 8.58 4.16 0.00 2.80 2.84 0.00 0.00 7.03 8.02 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 0.00 105 P 0.00 4.52 0.00 2.07 2.08 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.33 0.00 106 N 7.95 5.05 0.00 2.62 2.86 0.00 0.00 7.19 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 0.00 107 R 8.08 4.01 0.00 1.94 1.99 0.00 3.30 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 108 V 8.51 5.06 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 0.92 0.00 0.00 1.08 0.00 0.00 109 R 9.21 4.48 0.00 1.61 1.09 0.00 2.58 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.22 0.00 110 M 8.23 4.79 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 111 F 9.33 4.64 0.00 3.13 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 8.48 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 0.00 0.00 0.00 0.00 113 P 0.00 4.36 0.00 2.17 2.05 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 114 D 8.06 4.25 0.00 2.81 2.82 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 0.00 115 K 7.90 4.40 0.00 2.00 2.11 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.46 7.81 116 L 7.09 4.62 0.00 1.52 1.77 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.56 3.89 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 0.75 0.00 0.00 1.04 0.00 0.00 118 R 8.65 4.11 0.00 1.89 2.01 0.00 3.16 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 119 A 7.99 4.02 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 0.00 120 A 8.07 4.44 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 0.00 121 A 8.27 4.27 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 0.00 122 E 7.96 4.12 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 123 K 7.57 4.29 0.00 1.05 1.12 0.00 1.91 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.55 7.81 124 R 7.66 4.72 0.00 1.44 1.71 0.00 3.09 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 125 W 9.16 5.43 0.00 3.18 3.25 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 0.00 126 D 8.92 5.02 0.00 2.67 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 0.00 127 R 8.46 5.22 0.00 1.86 1.99 0.00 3.29 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 128 V 8.59 4.58 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 0.57 0.00 0.00 0.41 0.00 0.00 129 K 9.08 4.69 0.00 0.95 1.21 0.00 0.63 0.00 0.00 1.05 0.00 0.00 2.65 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.08 1.04 7.81 130 I 8.61 4.88 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 1.07 0.00 0.00 131 V 9.13 4.89 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 1.00 0.00 0.00 0.89 0.00 0.00 132 C 9.24 5.45 0.00 3.00 2.96 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 0.00 133 S 9.19 5.08 0.00 3.86 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 0.00 134 Q 8.40 4.08 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.91 0.00 0.00 0.00 0.00 0.00 1.89 2.29 0.00 135 P 0.00 4.30 0.00 1.41 1.80 0.00 3.02 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 136 Y 7.52 4.57 0.00 3.08 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 0.00 137 S 7.79 4.54 0.00 3.85 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 0.00 138 K 8.58 4.56 0.00 1.77 1.80 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 139 D 7.80 4.56 0.00 2.62 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 0.00 140 S 7.57 4.75 0.00 3.82 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 0.00 141 P 0.00 4.44 0.00 1.97 2.06 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 142 F 7.48 5.07 0.00 3.14 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 0.00 143 G 7.45 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 0.00 144 L 7.84 4.78 0.00 1.77 1.53 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 145 S 9.38 4.46 0.00 4.05 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 0.00 146 F 7.50 5.15 0.00 3.22 3.18 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 0.00 147 V 8.38 4.81 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.64 0.00 0.00 148 R 8.94 4.62 0.00 1.96 1.77 0.00 3.18 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 149 F 8.76 5.31 0.00 3.01 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 0.00 150 H 9.00 5.54 0.00 3.18 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 S 9.12 5.56 0.00 3.88 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 0.00 152 P 0.00 4.30 0.00 1.98 2.07 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 153 P 0.00 4.39 0.00 2.01 1.93 0.00 3.61 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00