NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3901 8.3044 120.3485 55.0613 32.5568 174.8171 2 S 4.0954 8.4226 121.5059 56.8237 63.2599 172.3435 3 S 4.3233 8.3161 121.0290 57.9466 63.7869 174.5984 4 Q 3.9948 8.6674 123.4416 58.5826 28.3878 177.2618 5 I 4.1292 7.4594 109.4784 60.5839 38.6509 175.8565 6 R 3.9977 7.2585 121.9231 56.2361 30.2424 175.7185 7 Q 4.2458 8.7345 124.2206 56.2735 31.3958 173.1507 8 N 4.1516 8.9522 125.9183 55.3464 37.2135 174.4542 9 Y 4.7141 7.7004 117.8629 54.2674 39.7002 174.6902 10 S 4.1843 8.1316 120.6380 58.4222 65.0472 175.4070 11 T 3.8140 8.3306 113.9018 64.7894 68.4231 176.5949 12 D 4.2383 7.8324 121.6350 57.2501 40.9559 178.5866 13 V 3.4347 7.3118 118.3063 65.7235 31.5148 177.4412 14 E 3.7796 7.4476 118.3687 59.2263 29.4035 178.7090 15 A 3.8714 7.8926 120.2143 55.2773 18.5286 179.3723 16 A 3.9523 8.1901 119.5551 55.2462 18.2488 180.1507 17 V 3.5306 8.2594 117.0309 66.3887 31.7440 177.9492 18 N 4.2505 8.0319 116.1474 56.3111 38.3045 177.2755 19 S 4.0742 8.0834 114.4308 61.4911 62.4825 176.1410 20 L 4.0627 8.0435 122.8577 57.9130 41.6934 179.1051 21 V 3.7693 8.0729 118.8055 65.9224 31.4296 177.4820 22 N 4.3150 8.2937 116.8061 56.7407 38.8748 176.4837 23 L 3.9434 8.1467 121.7035 58.3822 42.0595 178.7065 24 Y 3.8978 8.3840 116.8640 61.0401 37.9164 177.9605 25 L 3.9390 8.4130 120.3935 57.8829 41.5842 179.5041 26 Q 4.0545 8.4554 119.2170 59.2114 29.0644 178.0069 27 A 3.9176 8.0244 121.7884 55.3327 18.4146 179.5134 28 S 4.3291 8.8289 112.0000 61.6847 62.5128 175.6908 29 Y 4.4346 8.2553 122.2529 61.1753 38.5000 177.9874 30 T 3.7306 8.2252 116.8507 67.1711 68.5085 176.0280 31 Y 4.0182 7.7049 118.2218 60.9522 37.9119 178.5682 32 L 4.0909 8.2979 121.3142 58.2390 42.2154 179.0564 33 S 4.2385 8.2011 112.8889 61.4717 62.4988 175.7904 34 L 3.5238 7.8606 122.1570 57.6903 41.0309 179.6412 35 G 3.9274 8.6785 105.0409 48.2791 0.0000 175.3134 36 F 4.3341 8.4344 119.3566 59.1627 39.1691 177.4342 37 Y 4.2768 8.2276 120.1087 60.5900 38.7171 176.9992 38 F 4.2022 8.2268 116.1526 58.4774 38.9347 175.9982 39 D 4.6639 7.5396 117.3719 53.7545 42.0760 176.5342 40 R 4.0926 7.2890 118.8805 56.6269 30.5728 177.4691 41 D 4.6308 8.7282 121.1997 55.6845 39.4696 176.7304 42 D 4.6452 7.9598 117.4689 53.5574 40.3383 176.7018 43 V 3.8414 7.5154 118.2650 63.7211 33.6821 175.4892 44 A 3.8268 8.0584 120.3988 53.6049 16.2259 178.2634 45 L 4.7228 7.9408 122.9042 51.0948 42.9030 177.4242 46 E 4.0145 8.6628 123.4960 59.1227 29.6372 178.2483 47 G 3.4969 7.9504 104.9808 47.9719 0.0000 175.7686 48 V 3.3467 7.5556 121.0193 65.1264 31.4398 177.6854 49 S 4.2229 8.3017 113.2333 61.6795 62.3166 175.3203 50 H 3.9114 8.6004 121.1679 59.4109 29.4314 176.5593 51 F 4.0387 8.4427 122.4954 61.6123 39.0977 177.2246 52 F 4.0817 7.9770 117.0517 60.5155 38.8644 177.9505 53 R 3.9866 8.2043 117.8048 59.2834 29.7069 178.9931 54 E 3.8834 8.0982 118.3856 59.3594 29.4148 179.4044 55 L 3.5551 7.2009 118.7727 57.1549 41.4013 179.4973 56 A 4.1327 7.8056 120.9870 55.2922 18.4101 179.3268 57 E 3.9147 8.0326 117.4791 59.4145 29.5150 178.8723 58 E 3.9277 8.2877 119.0008 59.2883 29.5829 179.4715 59 K 4.3534 8.3820 118.6939 59.1802 32.0851 179.4800 60 R 3.0649 8.0092 119.2162 59.3053 30.1975 178.5197 61 E 3.9167 8.2084 118.2115 58.8410 29.2730 179.8170 62 G 3.4426 7.5745 106.5156 47.9206 0.0000 175.5705 63 Y 4.2789 7.6076 120.5415 59.4123 38.0309 177.8604 64 E 4.0283 7.8510 120.6850 59.4519 29.5852 179.3027 65 R 3.9870 7.9214 118.1976 59.3236 30.1150 178.5944 66 L 4.2276 7.9700 118.6956 57.6486 41.6020 179.3994 67 L 4.0366 8.3321 119.1849 57.5167 41.6137 179.1549 68 K 3.8314 8.2550 119.7680 60.0647 32.1665 178.4944 69 M 3.8629 8.0104 118.0691 58.1761 31.7372 177.9993 70 Q 3.7998 7.9128 119.9684 59.3436 28.8417 178.0821 71 N 4.3052 8.2491 117.4299 56.2715 38.2663 177.5295 72 Q 3.9442 7.6124 118.9366 58.6533 28.9106 178.2464 73 R 3.8062 7.5671 118.1942 56.5980 29.9177 178.0408 74 G 3.9397 7.3046 105.3790 44.9548 0.0000 174.0031 75 G 4.1498 7.2182 107.5983 44.6829 0.0000 173.0256 76 R 4.5476 9.2043 117.7636 53.9173 33.1091 175.7722 77 A 4.8402 8.2644 124.4894 51.0217 19.2791 176.8352 78 L 4.4450 7.9777 121.1039 52.8982 44.4935 176.4757 79 F 4.8064 8.3804 122.2677 56.4707 40.4610 174.7897 80 Q 4.7418 8.2368 120.3473 53.7448 32.7048 174.9814 81 D 4.4408 8.5577 118.7056 54.7255 41.3076 176.4669 82 I 4.3434 8.0166 123.2339 59.3469 37.9296 176.0421 83 K 4.1803 8.5898 126.1184 55.6969 32.5379 177.4799 84 K 3.7880 8.4565 122.3645 55.8283 31.7575 174.9463 85 P 4.2787 0.0000 0.0000 62.6642 31.8498 177.5006 86 A 4.1659 8.7877 123.9611 54.5136 18.4254 177.1569 87 E 4.3213 6.7240 111.9065 54.5302 32.8222 175.1469 88 D 4.6991 7.8313 117.0330 54.0821 43.1178 176.6416 89 E 3.8973 7.0520 117.2829 54.2421 32.8641 175.0573 90 W 4.3672 6.3442 121.8367 55.5739 30.3642 177.9720 91 G 3.6953 7.2759 107.3437 47.2878 0.0000 175.3773 92 K 4.7281 9.1673 124.3203 54.9144 35.0122 177.1226 93 T 4.1869 8.7894 117.3044 67.0769 68.4304 174.8675 94 P 4.3440 0.0000 0.0000 65.5668 31.3880 178.5314 95 D 4.4212 8.2349 117.1588 57.2939 40.9550 178.3437 96 A 4.2362 8.4127 121.3151 55.5348 18.4898 179.3092 97 M 4.2818 8.6855 117.0267 58.8941 32.3275 178.4988 98 K 4.0475 8.2073 118.1794 59.3705 32.1768 179.1267 99 A 4.0034 8.1605 120.5616 55.1296 18.3267 179.2076 100 A 3.8899 8.1147 119.2313 55.8749 18.5426 179.2731 101 M 4.0093 8.7039 116.5313 59.0551 32.1826 178.3936 102 A 4.0251 8.0615 120.7134 54.9167 18.5824 179.2438 103 L 3.8766 8.2459 119.3266 58.4159 42.1530 179.1009 104 E 4.0364 8.6070 118.7569 59.5266 29.4397 179.5377 105 K 4.1460 8.2601 118.4550 59.1084 31.9992 179.3795 106 K 3.8802 8.1101 119.9624 59.4743 32.1324 178.6808 107 L 3.8706 7.9203 119.2145 57.9703 41.5271 178.9275 108 N 4.2971 8.6348 117.1306 57.0019 38.7302 176.5848 109 Q 3.9592 8.1045 120.5251 59.0843 29.1815 177.9029 110 A 4.0009 8.1203 121.9043 55.0812 18.2781 179.7100 111 L 3.9471 8.2683 117.6275 58.1238 41.8120 179.6277 112 L 4.0134 8.3072 119.2349 57.9459 41.4112 179.5728 113 D 4.3395 8.3971 118.9873 57.2407 40.7534 178.4090 114 L 3.9653 8.0086 120.8759 58.3580 42.0400 178.4984 115 H 4.0748 8.6598 118.2376 59.2579 29.8617 177.0051 116 A 4.0517 8.0093 122.5973 55.1990 18.1954 179.3100 117 L 4.0158 8.4485 119.3400 58.0643 42.1070 179.4265 118 G 3.5830 8.2835 105.9512 48.1129 0.0000 175.8631 119 S 4.1434 8.2045 118.1428 60.9909 62.5800 176.6644 120 A 4.0392 7.8632 122.6477 54.9269 18.2186 178.9709 121 R 4.2257 7.8582 113.5919 55.0436 31.6286 176.6675 122 T 3.4957 7.5749 108.4723 63.2420 68.0356 173.5197 123 D 4.9162 8.0678 122.1693 51.6158 41.5274 173.9377 124 P 4.3359 0.0000 0.0000 65.5433 31.3498 178.1356 125 H 4.1106 8.1982 117.6741 59.0799 29.9674 176.7407 126 L 4.0951 7.9541 121.7935 58.4022 41.9263 178.4840 127 C 4.0361 8.0156 116.3754 63.0398 28.1426 175.4613 128 D 4.3955 8.1939 119.3082 57.4277 40.7391 178.0188 129 F 4.1845 8.4620 121.0454 61.5383 39.3153 177.1870 130 L 4.1463 8.3305 118.3024 57.8817 41.2491 179.2163 131 E 3.9928 8.4793 117.7057 59.8886 29.5077 179.4499 132 T 3.9213 8.2026 114.6673 66.3015 68.6887 175.8085 133 H 4.5148 7.7336 114.3690 55.2484 30.2310 174.4003 134 F 4.6245 8.0865 117.4038 58.9675 41.4849 177.0862 135 L 4.0209 8.2934 119.8556 58.4800 41.3664 179.2806 136 D 4.3579 8.0209 116.8647 57.3877 41.4132 177.9361 137 E 3.9783 8.1289 118.6596 59.1268 29.4336 179.1503 138 E 4.0069 8.3514 118.8419 59.4269 29.6551 179.2512 139 V 3.6242 7.6429 117.8319 66.1642 31.6512 178.1873 140 K 3.9956 8.2336 118.1214 59.3217 31.7722 179.1870 141 L 4.0190 7.9309 120.3486 58.1844 42.0867 178.9586 142 I 3.7465 8.3209 120.2365 64.3792 37.0479 178.3612 143 K 4.0049 8.2859 120.4797 59.1728 32.0111 178.8811 144 K 3.9486 7.9732 119.8559 59.8393 32.1645 178.8084 145 M 4.3072 8.5336 119.3895 58.2440 31.8527 179.0089 146 G 3.6293 8.2664 105.9980 47.8659 0.0000 175.4122 147 D 4.3632 8.1307 121.4294 57.4891 40.7695 178.6832 148 H 4.0795 8.0998 116.5305 58.8295 28.6939 177.8818 149 L 4.0217 8.1401 120.7934 58.1613 41.3152 179.7310 150 T 3.9107 8.0018 115.6813 66.7190 68.1265 176.5484 151 N 4.3984 8.0574 117.5717 55.9009 38.7996 177.3328 152 L 4.1126 8.1389 120.6662 58.1215 41.5842 178.7772 153 H 4.0277 8.0421 116.6299 59.5575 29.8429 176.8463 154 R 4.0585 7.6657 118.9308 59.1296 29.8659 176.6749 155 L 4.3303 7.8496 122.6923 54.8896 41.9001 176.4081 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 8.30 4.39 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 S 8.42 4.10 0.00 3.96 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 3 S 8.32 4.32 0.00 3.89 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 4 Q 8.67 3.99 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 5 I 7.46 4.13 1.82 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 1.25 0.59 0.88 0.00 0.00 6 R 7.26 4.00 0.00 1.77 1.90 0.00 3.20 0.00 0.00 3.04 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 7 Q 8.73 4.25 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 8 N 8.95 4.15 0.00 2.87 2.86 0.00 0.00 6.94 7.54 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 9 Y 7.70 4.71 0.00 2.78 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 10 S 8.13 4.18 0.00 4.13 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.33 3.81 4.18 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 1.17 0.00 0.00 12 D 7.83 4.24 0.00 2.62 2.69 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 13 V 7.31 3.43 1.68 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 0.83 0.00 0.00 0.82 0.00 0.00 14 E 7.45 3.78 0.00 1.83 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 2.28 2.56 0.00 15 A 7.89 3.87 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 16 A 8.19 3.95 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 17 V 8.26 3.53 2.27 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 1.14 0.00 0.00 1.08 0.00 0.00 18 N 8.03 4.25 0.00 2.90 2.78 0.00 0.00 6.74 7.55 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 19 S 8.08 4.07 0.00 4.04 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 0.00 20 L 8.04 4.06 0.00 1.98 1.92 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.07 3.77 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 1.19 0.00 0.00 1.05 0.00 0.00 22 N 8.29 4.31 0.00 2.87 3.02 0.00 0.00 6.88 6.15 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 23 L 8.15 3.94 0.00 1.81 1.86 0.88 0.82 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 24 Y 8.38 3.90 0.00 3.58 3.38 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 25 L 8.41 3.94 0.00 1.76 1.59 0.83 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.46 4.05 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 27 A 8.02 3.92 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.83 4.33 0.00 4.22 4.36 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 29 Y 8.26 4.43 0.00 3.18 3.04 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 30 T 8.23 3.73 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 0.68 0.00 0.00 31 Y 7.70 4.02 0.00 3.07 3.17 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 0.00 0.00 0.00 0.00 32 L 8.30 4.09 0.00 2.00 2.22 1.28 0.66 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 33 S 8.20 4.24 0.00 4.05 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 34 L 7.86 3.52 0.00 1.32 0.71 -0.26 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.68 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 36 F 8.43 4.33 0.00 3.35 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.23 4.28 0.00 3.25 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 38 F 8.23 4.20 0.00 3.24 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 39 D 7.54 4.66 0.00 2.56 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 40 R 7.29 4.09 0.00 1.88 1.94 0.00 3.41 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 41 D 8.73 4.63 0.00 2.79 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 42 D 7.96 4.65 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 43 V 7.52 3.84 1.79 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 0.58 0.00 0.00 0.41 0.00 0.00 44 A 8.06 3.83 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 45 L 7.94 4.72 0.00 1.88 1.58 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.66 4.01 0.00 2.04 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 2.39 2.41 0.00 47 G 7.95 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.56 3.35 1.46 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 0.19 0.00 0.00 0.66 0.00 0.00 49 S 8.30 4.22 0.00 4.03 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 50 H 8.60 3.91 0.00 3.36 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.44 4.04 0.00 2.93 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 52 F 7.98 4.08 0.00 3.36 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.20 3.99 0.00 1.86 1.91 0.00 2.59 0.00 0.00 2.95 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 54 E 8.10 3.88 0.00 1.96 1.84 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 2.26 2.44 0.00 55 L 7.20 3.56 0.00 0.87 0.13 0.06 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.81 4.13 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 57 E 8.03 3.91 0.00 2.10 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 0.00 2.27 2.35 0.00 58 E 8.29 3.93 0.00 2.09 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 2.24 2.39 0.00 59 K 8.38 4.35 0.00 2.19 2.27 0.00 1.95 0.00 0.00 2.01 0.00 0.00 2.98 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.88 1.98 7.81 60 R 8.01 3.06 0.00 1.89 2.01 0.00 3.10 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.37 0.00 61 E 8.21 3.92 0.00 2.11 1.86 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 2.23 2.32 0.00 62 G 7.57 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.61 4.28 0.00 3.35 3.38 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 64 E 7.85 4.03 0.00 2.05 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 2.26 2.13 0.00 65 R 7.92 3.99 0.00 2.03 2.22 0.00 2.74 0.00 0.00 2.75 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.74 0.00 66 L 7.97 4.23 0.00 2.02 1.78 0.77 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.33 4.04 0.00 1.98 1.83 1.32 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.26 3.83 0.00 2.09 1.96 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.51 7.81 69 M 8.01 3.86 0.00 1.72 1.31 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.16 0.00 70 Q 7.91 3.80 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 71 N 8.25 4.31 0.00 2.87 2.81 0.00 0.00 7.12 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 72 Q 7.61 3.94 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 73 R 7.57 3.81 0.00 0.67 0.66 0.00 2.84 0.00 0.00 2.67 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.11 0.00 74 G 7.30 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 75 G 7.22 4.15 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 0.00 0.00 0.00 76 R 9.20 4.55 0.00 1.68 1.77 0.00 3.31 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 77 A 8.26 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.98 4.44 0.00 1.47 1.48 0.88 0.79 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 79 F 8.38 4.81 0.00 3.07 2.91 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 80 Q 8.24 4.74 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 81 D 8.56 4.44 0.00 2.69 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 82 I 8.02 4.34 1.87 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.52 1.01 0.00 0.00 83 K 8.59 4.18 0.00 1.77 1.76 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.45 7.81 84 K 8.46 3.79 0.00 1.65 1.78 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.38 7.81 85 P 0.00 4.28 0.00 2.37 2.27 0.00 3.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 86 A 8.79 4.17 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 87 E 6.72 4.32 0.00 1.16 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 1.47 1.47 0.00 88 D 7.83 4.70 0.00 2.41 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.05 3.90 0.00 1.55 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 90 W 6.34 4.37 0.00 2.94 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 91 G 7.28 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 92 K 9.17 4.73 0.00 2.09 1.88 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.56 7.81 93 T 8.79 4.19 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 1.14 0.00 0.00 94 P 0.00 4.34 0.00 2.23 2.16 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 95 D 8.23 4.42 0.00 3.16 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 96 A 8.41 4.24 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 0.00 0.00 0.00 0.00 0.00 97 M 8.69 4.28 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 98 K 8.21 4.05 0.00 2.16 1.93 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.61 7.81 99 A 8.16 4.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.11 3.89 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 0.00 0.00 0.00 0.00 0.00 101 M 8.70 4.01 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.68 0.00 102 A 8.06 4.03 1.46 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 0.00 103 L 8.25 3.88 0.00 1.64 1.88 0.84 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.61 4.04 0.00 2.27 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 0.00 2.71 2.65 0.00 105 K 8.26 4.15 0.00 2.00 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.67 7.81 106 K 8.11 3.88 0.00 2.00 1.85 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 107 L 7.92 3.87 0.00 1.88 1.63 0.72 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.63 4.30 0.00 2.96 3.01 0.00 0.00 6.92 7.16 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 0.00 109 Q 8.10 3.96 0.00 2.35 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 110 A 8.12 4.00 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 0.00 111 L 8.27 3.95 0.00 1.96 1.80 1.15 0.72 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 0.00 112 L 8.31 4.01 0.00 1.83 1.75 0.94 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 0.00 113 D 8.40 4.34 0.00 2.91 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 0.00 114 L 8.01 3.97 0.00 1.89 1.89 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.66 4.07 0.00 3.37 3.49 0.00 5.65 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 0.00 116 A 8.01 4.05 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 0.00 117 L 8.45 4.02 0.00 1.74 1.91 0.90 0.86 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 0.00 118 G 8.28 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 0.00 119 S 8.20 4.14 0.00 3.91 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 0.00 120 A 7.86 4.04 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 0.00 121 R 7.86 4.23 0.00 1.79 1.94 0.00 3.45 0.00 0.00 3.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 122 T 7.57 3.50 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 1.28 0.00 0.00 123 D 8.07 4.92 0.00 2.69 2.58 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 0.00 124 P 0.00 4.34 0.00 2.34 2.33 0.00 3.85 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 2.12 2.06 0.00 125 H 8.20 4.11 0.00 3.25 3.52 0.00 5.68 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 0.00 126 L 7.95 4.10 0.00 2.03 1.91 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 127 C 8.02 4.04 0.00 3.21 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 0.00 128 D 8.19 4.40 0.00 2.89 2.85 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 0.00 129 F 8.46 4.18 0.00 3.16 3.38 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 0.00 130 L 8.33 4.15 0.00 2.09 1.85 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 131 E 8.48 3.99 0.00 2.09 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 2.41 2.73 0.00 132 T 8.20 3.92 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 0.91 0.00 0.00 133 H 7.73 4.51 0.00 2.34 2.67 0.00 5.59 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.09 4.62 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 0.00 135 L 8.29 4.02 0.00 1.71 1.78 0.92 1.01 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 0.00 136 D 8.02 4.36 0.00 2.69 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 0.00 137 E 8.13 3.98 0.00 2.10 1.95 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 2.31 2.36 0.00 138 E 8.35 4.01 0.00 2.35 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 0.00 2.67 2.61 0.00 139 V 7.64 3.62 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 1.05 0.00 0.00 1.02 0.00 0.00 140 K 8.23 4.00 0.00 1.85 1.85 0.00 1.71 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 141 L 7.93 4.02 0.00 1.91 1.86 0.96 0.91 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 0.00 142 I 8.32 3.75 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.95 0.95 0.00 0.00 143 K 8.29 4.00 0.00 1.89 2.05 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 144 K 7.97 3.95 0.00 2.08 2.04 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.49 7.81 145 M 8.53 4.31 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.81 0.00 146 G 8.27 3.63 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 0.00 0.00 0.00 147 D 8.13 4.36 0.00 2.81 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 0.00 148 H 8.10 4.08 0.00 3.30 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.14 4.02 0.00 1.89 1.76 0.98 0.67 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 0.00 150 T 8.00 3.91 4.38 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 1.19 0.00 0.00 151 N 8.06 4.40 0.00 2.66 2.84 0.00 0.00 7.08 7.27 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 0.00 152 L 8.14 4.11 0.00 1.92 1.74 0.93 0.97 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 0.00 153 H 8.04 4.03 0.00 3.19 3.33 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.67 4.06 0.00 1.86 2.24 0.00 3.30 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 155 L 7.85 4.33 0.00 1.82 1.56 0.91 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