NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3780 8.3044 120.3479 55.1888 33.2360 174.8749 2 T 3.8297 8.5027 121.5615 61.9769 68.0279 171.7540 3 T 4.7290 9.0335 125.1436 61.7054 73.2644 172.7435 4 I 4.6294 8.0148 124.1207 59.2319 39.9099 175.4699 5 N 4.4812 9.4398 124.0024 52.3703 38.9757 173.4718 6 P 4.3295 0.0000 0.0000 62.6080 32.0775 175.7268 7 T 4.1670 8.0645 112.7265 59.8297 70.3394 174.4323 8 N 4.4696 8.3075 124.6297 52.9873 39.1487 174.8387 9 Y 4.2306 8.2750 127.0085 60.7965 38.1916 178.2330 10 T 3.8893 7.8430 116.7773 66.4497 68.5929 176.2796 11 L 3.9460 7.8142 121.7927 57.9574 42.2153 178.4855 12 L 3.9412 7.9622 120.2739 58.2850 42.0772 179.1736 13 K 4.1324 8.3902 118.5347 59.1259 31.9480 179.3477 14 K 3.9448 8.0194 119.8047 59.7259 32.2032 179.0023 15 Q 3.9964 8.3745 118.2909 58.6668 28.6261 178.4341 16 A 3.9662 8.5107 122.0972 55.2190 18.2365 179.4724 17 A 3.9613 7.7705 117.6557 55.5580 18.6323 179.7627 18 S 4.2042 8.0376 113.5459 61.5036 62.6599 176.5407 19 L 4.0262 8.3637 122.6435 57.5384 42.2017 178.3542 20 I 4.3570 7.2745 110.2882 59.5217 37.9753 174.6062 21 E 4.0948 7.3471 121.9155 58.0870 29.7764 176.2943 22 D 4.4806 8.8684 123.7533 54.9528 38.4210 173.1013 23 E 4.7506 7.7458 117.2551 55.0534 32.1037 175.7857 24 H 5.0425 8.3864 114.9246 53.4912 31.5391 173.6679 25 H 4.0867 8.2319 119.4905 56.1858 30.3721 174.7616 26 M 3.8945 8.4689 128.0851 58.9674 32.1940 177.9286 27 I 3.6449 7.6092 119.0449 64.3131 37.2465 178.0809 28 A 3.9879 8.2206 121.0122 55.1830 18.2728 179.6072 29 I 3.5884 7.7606 118.1560 64.6232 37.2535 178.7369 30 L 3.5189 8.1167 120.1439 57.5131 41.1584 179.8649 31 S 4.0914 8.3700 115.4939 61.8371 62.8586 176.5191 32 N 4.3465 8.3122 119.2036 56.6128 38.1894 177.5068 33 M 4.1757 8.6793 120.8434 58.2515 32.0093 178.8495 34 S 4.1360 8.5231 114.4062 61.4226 63.0582 176.5996 35 A 3.9077 7.8020 124.4818 54.7577 17.9436 179.3232 36 L 3.9423 7.8355 117.7278 58.2042 42.4501 179.0006 37 L 4.1538 8.1772 119.0120 57.9014 41.4216 178.8260 38 N 4.2906 8.0060 115.5896 56.9336 38.9349 176.1428 39 D 4.6000 8.5008 118.5923 55.7781 41.0071 176.6759 40 N 4.9875 7.8388 115.0574 52.3711 39.6966 173.7853 41 L 4.6809 7.7854 117.9737 52.9298 44.6487 175.6906 42 D 4.6765 8.5385 122.5453 53.6201 42.8990 174.6213 43 Q 3.5231 8.5498 120.3239 57.4831 27.1028 172.9883 44 I 4.7110 7.6909 107.6412 58.9224 40.6735 174.1286 45 N 4.9641 8.9291 119.5518 54.2500 41.1905 174.4651 46 W 5.1087 8.0166 125.8272 56.4627 34.5158 173.6610 47 V 4.8877 7.5332 125.4260 60.9482 34.5543 174.1805 48 G 3.5857 8.3156 111.3959 45.9106 0.0000 171.7009 49 F 5.7536 8.7155 117.2992 55.9597 43.4887 174.0862 50 Y 5.1563 9.0335 117.5889 56.3216 41.7642 174.5220 51 L 5.2542 8.9426 123.2484 52.8094 44.8278 175.9299 52 L 4.6898 8.7204 123.9203 54.6088 42.3703 176.6958 53 E 4.3078 9.1338 123.5553 54.9542 31.5392 175.4011 54 Q 3.4031 9.4475 128.1977 57.6688 26.6383 174.3228 55 N 4.1382 7.8604 110.9935 53.3722 36.5629 175.5432 56 E 4.6065 7.6444 117.1468 55.2465 34.3274 174.8070 57 L 4.7995 8.6484 127.8849 54.6895 42.9902 175.9411 58 I 5.0487 8.9173 125.3325 58.8836 40.1898 174.9721 59 L 3.4800 9.0260 129.3254 56.0989 42.3879 176.4650 60 G 4.4858 8.1714 113.1245 43.9765 0.0000 170.0702 61 P 4.5595 0.0000 0.0000 63.5864 32.2695 175.6300 62 F 4.8539 7.8240 116.3427 56.0945 40.9366 172.9908 63 Q 4.2192 10.0538 119.3224 53.4741 30.9418 176.2956 64 G 3.9518 8.1267 112.0244 45.5327 0.0000 171.7225 65 H 4.9459 8.4828 118.2293 54.0733 30.0129 173.2587 66 P 4.4892 0.0000 0.0000 63.4689 31.5726 175.5542 67 A 4.6679 8.0343 122.9534 49.6958 22.3118 175.4788 68 C 4.1861 8.2894 116.9402 60.3195 28.7936 174.9475 69 V 4.0510 8.4880 123.8250 65.6034 32.3730 175.2253 70 H 5.6273 8.0770 113.7732 53.9369 32.0531 173.2031 71 I 4.5349 8.7686 121.1925 58.7163 40.7157 173.1570 72 P 4.6526 0.0000 0.0000 62.2164 32.6079 176.2027 73 I 3.7683 8.3301 122.8566 63.2199 37.4690 176.7841 74 G 3.9543 9.1832 111.9890 45.3647 0.0000 173.3664 75 K 4.3521 7.8465 120.2631 55.2885 34.0602 177.6945 76 G 4.1805 8.7414 113.3951 44.7773 0.0000 173.9278 77 V 2.8331 7.4979 116.3922 65.8568 31.0960 177.8924 78 C 4.0217 7.6700 115.9711 62.8326 28.0753 176.2381 79 G 3.5755 7.7255 106.7036 48.0519 0.0000 175.8740 80 T 4.3459 8.3500 119.0940 65.7295 68.4140 176.7193 81 A 4.2793 7.8785 124.2250 54.5212 18.1231 179.9520 82 V 3.4899 7.3406 116.0814 66.0174 31.8852 177.6609 83 S 4.2707 7.9243 112.9576 61.4233 61.7411 175.7985 84 E 4.1034 8.8012 120.3007 56.5101 29.4758 177.6893 85 R 4.1850 7.8258 116.2993 56.5290 28.5124 175.7453 86 R 4.8659 7.4302 111.3453 54.6973 33.2977 174.1740 87 T 4.2168 8.6539 116.3659 64.8364 69.2951 173.2625 88 Q 4.6649 9.3467 124.5247 54.0288 31.7816 174.6665 89 V 4.7022 8.5612 123.7010 61.2406 33.8229 174.5555 90 V 4.4551 9.0517 129.2223 61.1817 32.9004 176.2462 91 A 4.0878 8.8493 130.1903 54.4567 20.0929 176.1288 92 D 4.7577 7.9426 114.8917 53.0898 42.2506 175.7107 93 V 3.6859 8.8624 122.3683 64.4596 31.7542 178.8629 94 H 4.3043 7.9642 115.9601 58.2175 28.5291 176.0898 95 Q 4.4122 7.8566 116.4043 55.6881 29.4483 175.7490 96 F 4.1301 8.2154 122.0701 56.8985 40.0812 174.1856 97 K 3.7272 7.6615 127.0932 58.1700 31.8979 176.3082 98 G 3.9495 9.0017 113.0568 46.2945 0.0000 172.6672 99 H 4.2320 8.2286 119.6220 55.8051 30.2560 175.0200 100 I 4.2804 7.6726 118.4878 58.5011 39.1723 174.8276 101 A 3.9574 8.6497 128.5634 52.9173 18.3791 176.4865 102 C 4.6667 8.5760 115.2056 57.0721 31.7477 173.3887 103 D 4.6919 7.8384 119.4729 51.9017 42.4916 175.7574 104 A 4.1288 8.8521 130.3422 54.6492 18.1826 177.3456 105 N 4.8825 8.9979 113.5174 53.0658 39.0982 174.2567 106 S 4.6112 7.8889 114.5980 56.9401 62.0169 172.6071 107 K 4.4313 9.4274 129.6029 56.9696 34.3959 175.7773 108 S 5.2220 7.7348 112.5191 56.8415 66.9296 172.4083 109 E 5.3691 9.1011 120.0221 55.5054 33.6418 173.5764 110 I 4.9239 8.6715 124.6151 59.1242 41.8602 174.0213 111 V 4.8197 8.9242 128.6045 61.0810 34.7133 173.9798 112 V 4.6825 8.6111 128.2435 60.3056 33.7259 173.0912 113 P 4.6985 0.0000 0.0000 62.6558 32.3120 175.6487 114 I 4.7481 8.6814 124.3295 59.6075 39.8395 174.7542 115 F 5.4791 9.9826 125.4661 55.7798 42.2646 175.1545 116 K 4.5217 9.1628 121.7396 56.4997 35.2046 176.0272 117 D 4.5158 9.7805 125.7249 55.7341 38.4652 173.6775 118 D 4.6011 8.5340 112.8375 54.7990 38.4525 173.9296 119 K 4.7539 8.1186 119.6254 54.3181 35.1362 175.4353 120 I 3.8489 8.4302 126.5296 61.2478 37.5212 175.7197 121 I 4.2950 8.7396 118.5241 60.2457 39.8089 175.4225 122 G 3.9464 7.0271 107.6763 47.0098 0.0000 171.8428 123 V 5.1013 8.1398 111.3806 59.7859 36.7534 174.1752 124 L 4.8262 9.1868 125.4354 53.6268 43.9346 174.5792 125 D 5.3537 9.3395 126.0164 52.5545 44.4321 174.5029 126 I 5.3640 8.7466 126.0333 59.8291 41.3627 174.0540 127 D 5.7492 9.3921 125.7608 51.6217 43.2227 174.4838 128 A 5.1997 9.2754 120.1539 49.5310 22.9923 174.9482 129 P 4.7508 0.0000 0.0000 62.2668 31.7128 175.9415 130 I 4.6898 7.1113 111.3070 59.0872 40.6591 174.9996 131 T 4.1719 8.2765 111.3591 62.5922 69.5173 173.6391 132 D 4.4092 8.5343 121.1060 55.4758 39.0565 175.5625 133 R 3.6821 7.6291 120.1183 58.2436 30.3519 175.9960 134 F 5.0387 7.8209 116.7303 55.9717 40.1032 175.2338 135 D 4.9587 8.7165 128.0250 52.1942 43.0308 176.3227 136 D 4.3689 8.5858 117.6236 57.6930 40.6455 178.4100 137 N 4.2244 8.2029 117.1711 56.7241 39.0810 176.4220 138 D 4.2871 8.7339 120.5842 57.2355 40.9833 178.6418 139 K 3.7878 8.1357 119.9286 59.5012 32.2289 178.0032 140 E 3.8146 8.0717 119.3673 59.9991 29.4810 178.7511 141 H 4.1910 7.7023 115.7902 58.5741 28.6254 177.9054 142 L 4.0165 7.9599 121.2487 57.7253 41.3973 179.3308 143 E 4.0004 8.3437 118.4902 59.2916 29.3680 179.2560 144 A 4.0513 7.8004 120.4804 55.0796 18.4977 179.7751 145 I 3.7192 7.9089 118.5814 64.5376 37.1982 178.7875 146 V 3.7231 8.0193 119.1298 65.9851 31.3133 178.2265 147 K 4.1567 8.0835 118.3081 59.4904 31.6134 179.3596 148 I 3.7530 7.5051 119.3963 64.2592 37.2952 178.3214 149 I 3.8567 7.6667 120.3985 64.5299 36.9681 178.0512 150 E 4.0042 8.6719 119.7419 59.7238 29.0903 179.6026 151 K 3.9099 8.0406 117.2302 59.6799 32.5545 178.8266 152 Q 4.2742 8.2160 117.3555 57.7249 28.6033 177.7209 153 L 4.3455 7.7125 118.1490 55.8781 42.2157 176.2731 154 A 4.1783 8.0197 126.1605 52.5729 18.3152 176.9842 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 4.38 0.00 1.99 2.05 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 2.47 2.53 0.00 2 T 8.50 3.83 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 1.19 0.00 0.00 3 T 9.03 4.73 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 1.20 0.00 0.00 4 I 8.01 4.63 1.84 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 1.34 0.42 0.87 0.00 0.00 5 N 9.44 4.48 0.00 2.63 2.73 0.00 0.00 7.10 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 6 P 0.00 4.33 0.00 2.01 1.97 0.00 3.62 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 2.01 2.06 0.00 7 T 8.06 4.17 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 1.15 0.00 0.00 8 N 8.31 4.47 0.00 2.76 2.70 0.00 0.00 7.23 7.56 0.00 0.00 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 8.27 4.23 0.00 2.79 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.84 3.89 4.26 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 1.23 0.00 0.00 11 L 7.81 3.95 0.00 1.88 1.74 0.90 0.52 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 12 L 7.96 3.94 0.00 1.87 1.87 0.94 0.56 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 13 K 8.39 4.13 0.00 1.93 1.89 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.77 7.81 14 K 8.02 3.94 0.00 2.04 2.03 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 15 Q 8.37 4.00 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 16 A 8.51 3.97 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 0.00 0.00 0.00 0.00 0.00 17 A 7.77 3.96 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 18 S 8.04 4.20 0.00 4.05 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 19 L 8.36 4.03 0.00 1.66 1.92 0.91 1.04 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 20 I 7.27 4.36 1.84 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 1.64 0.52 0.90 0.00 0.00 21 E 7.35 4.09 0.00 2.12 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 2.31 2.28 0.00 22 D 8.87 4.48 0.00 2.85 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 23 E 7.75 4.75 0.00 2.06 1.78 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 2.33 2.34 0.00 24 H 8.39 5.04 0.00 3.06 3.25 0.00 5.95 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 25 H 8.23 4.09 0.00 3.25 3.20 0.00 5.87 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.47 3.89 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 27 I 7.61 3.64 1.93 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 1.55 0.43 0.91 0.00 0.00 28 A 8.22 3.99 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 29 I 7.76 3.59 1.93 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 0.62 0.82 0.00 0.00 30 L 8.12 3.52 0.00 1.53 1.37 0.61 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.37 4.09 0.00 3.94 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 32 N 8.31 4.35 0.00 2.85 2.86 0.00 0.00 7.13 7.62 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 33 M 8.68 4.18 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.81 0.00 34 S 8.52 4.14 0.00 3.97 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 0.00 35 A 7.80 3.91 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 36 L 7.84 3.94 0.00 1.65 1.88 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.18 4.15 0.00 1.91 1.72 1.01 0.62 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 38 N 8.01 4.29 0.00 2.76 2.96 0.00 0.00 7.35 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 39 D 8.50 4.60 0.00 2.81 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 40 N 7.84 4.99 0.00 2.78 2.71 0.00 0.00 6.74 7.34 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 41 L 7.79 4.68 0.00 1.63 1.61 1.07 1.12 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 42 D 8.54 4.68 0.00 2.58 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.55 3.52 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.56 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 44 I 7.69 4.71 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.18 1.09 0.00 0.00 45 N 8.93 4.96 0.00 2.74 3.23 0.00 0.00 6.90 7.82 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 46 W 8.02 5.11 0.00 3.38 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 47 V 7.53 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 0.68 0.00 0.00 0.80 0.00 0.00 48 G 8.32 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.72 5.75 0.00 2.95 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 50 Y 9.03 5.16 0.00 3.00 2.87 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 51 L 8.94 5.25 0.00 1.65 1.57 1.00 0.79 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 52 L 8.72 4.69 0.00 1.51 1.60 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.13 4.31 0.00 1.92 1.80 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 2.20 2.26 0.00 54 Q 9.45 3.40 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 55 N 7.86 4.14 0.00 2.85 2.86 0.00 0.00 6.95 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 56 E 7.64 4.61 0.00 1.89 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 2.23 2.37 0.00 57 L 8.65 4.80 0.00 1.86 1.66 0.73 0.50 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 58 I 8.92 5.05 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.97 0.00 0.00 59 L 9.03 3.48 0.00 1.75 1.61 0.60 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.17 4.49 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 61 P 0.00 4.56 0.00 2.17 1.98 0.00 3.71 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 2.09 2.10 0.00 62 F 7.82 4.85 0.00 1.65 2.55 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 63 Q 10.05 4.22 0.00 1.73 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.92 0.00 0.00 0.00 0.00 0.00 2.11 2.40 0.00 64 G 8.13 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 65 H 8.48 4.95 0.00 3.33 3.33 0.00 5.75 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 66 P 0.00 4.49 0.00 2.12 2.14 0.00 3.76 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 2.14 2.29 0.00 67 A 8.03 4.67 0.78 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 0.00 0.00 68 C 8.29 4.19 0.00 2.92 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 69 V 8.49 4.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.99 0.00 0.00 70 H 8.08 5.63 0.00 3.29 3.23 0.00 5.52 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 71 I 8.77 4.53 1.59 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.73 0.71 0.00 0.00 72 P 0.00 4.65 0.00 2.11 2.19 0.00 3.63 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 2.04 1.98 0.00 73 I 8.33 3.77 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 1.33 0.52 0.96 0.00 0.00 74 G 9.18 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 75 K 7.85 4.35 0.00 1.82 1.69 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.47 7.81 76 G 8.74 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 0.00 0.00 0.00 0.00 77 V 7.50 2.83 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 0.79 0.00 0.00 0.21 0.00 0.00 78 C 7.67 4.02 0.00 2.64 2.61 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 79 G 7.73 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 80 T 8.35 4.35 4.51 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 1.38 0.00 0.00 81 A 7.88 4.28 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 82 V 7.34 3.49 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 0.85 0.00 0.00 0.91 0.00 0.00 83 S 7.92 4.27 0.00 4.05 4.11 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 84 E 8.80 4.10 0.00 2.23 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 0.00 2.35 2.31 0.00 85 R 7.83 4.18 0.00 2.05 2.21 0.00 3.21 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 86 R 7.43 4.87 0.00 1.90 2.03 0.00 2.83 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 87 T 8.65 4.22 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 1.20 0.00 0.00 88 Q 9.35 4.66 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 89 V 8.56 4.70 2.12 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 0.88 0.00 0.00 0.93 0.00 0.00 90 V 9.05 4.46 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 1.13 0.00 0.00 0.97 0.00 0.00 91 A 8.85 4.09 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 92 D 7.94 4.76 0.00 2.66 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 93 V 8.86 3.69 1.77 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 0.61 0.00 0.00 0.86 0.00 0.00 94 H 7.96 4.30 0.00 3.22 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.86 4.41 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 96 F 8.22 4.13 0.00 3.02 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 97 K 7.66 3.73 0.00 1.35 1.47 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.50 7.81 98 G 9.00 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 99 H 8.23 4.23 0.00 3.39 3.31 0.00 5.90 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.67 4.28 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.04 0.93 0.00 0.00 101 A 8.65 3.96 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 0.00 102 C 8.58 4.67 0.00 2.96 2.92 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 0.00 103 D 7.84 4.69 0.00 2.57 2.50 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 0.00 104 A 8.85 4.13 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 0.00 105 N 9.00 4.88 0.00 2.75 2.82 0.00 0.00 6.35 7.11 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 0.00 106 S 7.89 4.61 0.00 3.83 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 0.00 107 K 9.43 4.43 0.00 1.81 1.91 0.00 1.36 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.34 7.81 108 S 7.73 5.22 0.00 4.06 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.10 5.37 0.00 2.03 1.72 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 2.12 2.38 0.00 110 I 8.67 4.92 1.17 0.00 0.00 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 0.87 1.34 -0.32 0.00 0.00 111 V 8.92 4.82 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 0.71 0.00 0.00 0.84 0.00 0.00 112 V 8.61 4.68 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 0.77 0.00 0.00 0.88 0.00 0.00 113 P 0.00 4.70 0.00 1.98 1.71 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 114 I 8.68 4.75 1.95 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.95 0.95 0.00 0.00 115 F 9.98 5.48 0.00 2.79 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 0.00 116 K 9.16 4.52 0.00 1.74 1.62 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.43 7.81 117 D 9.78 4.52 0.00 2.84 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 0.00 118 D 8.53 4.60 0.00 2.87 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 0.00 119 K 8.12 4.75 0.00 1.79 1.78 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.41 7.81 120 I 8.43 3.85 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.53 0.68 0.00 0.00 121 I 8.74 4.29 1.86 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 1.31 1.30 0.96 0.00 0.00 122 G 7.03 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 0.00 123 V 8.14 5.10 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 0.76 0.00 0.00 1.00 0.00 0.00 124 L 9.19 4.83 0.00 1.83 1.54 0.36 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 125 D 9.34 5.35 0.00 2.86 2.86 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 0.00 126 I 8.75 5.36 1.61 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.45 1.17 0.00 0.00 127 D 9.39 5.75 0.00 2.99 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 0.00 128 A 9.28 5.20 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 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.75 0.00 2.20 2.18 0.00 3.47 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.91 0.00 130 I 7.11 4.69 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.88 0.00 0.00 131 T 8.28 4.17 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 0.00 132 D 8.53 4.41 0.00 2.80 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 0.00 133 R 7.63 3.68 0.00 1.40 1.31 0.00 2.99 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.50 0.00 134 F 7.82 5.04 0.00 3.12 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 0.00 135 D 8.72 4.96 0.00 3.00 2.87 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 0.00 136 D 8.59 4.37 0.00 2.72 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 N 8.20 4.22 0.00 2.81 3.05 0.00 0.00 7.23 8.49 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 0.00 138 D 8.73 4.29 0.00 3.09 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 0.00 139 K 8.14 3.79 0.00 1.83 1.95 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 140 E 8.07 3.81 0.00 2.06 1.80 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 2.15 2.28 0.00 141 H 7.70 4.19 0.00 1.92 2.74 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.96 4.02 0.00 1.66 1.67 0.87 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.34 4.00 0.00 2.15 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 2.33 2.58 0.00 144 A 7.80 4.05 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 I 7.91 3.72 2.11 0.00 0.00 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 1.78 1.49 1.00 0.00 0.00 146 V 8.02 3.72 2.32 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 1.11 0.00 0.00 1.09 0.00 0.00 147 K 8.08 4.16 0.00 2.08 1.87 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.73 7.81 148 I 7.51 3.75 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.93 0.00 0.00 149 I 7.67 3.86 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.12 0.83 0.00 0.00 150 E 8.67 4.00 0.00 2.18 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 0.00 2.58 2.61 0.00 151 K 8.04 3.91 0.00 1.94 1.91 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.81 1.66 7.81 152 Q 8.22 4.27 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.52 2.67 0.00 153 L 7.71 4.35 0.00 1.72 1.71 0.87 0.73 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 0.00 154 A 8.02 4.18 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