NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4195 8.3044 120.3587 55.1747 33.5293 175.6558 2 F 4.1625 8.2036 120.7001 57.6593 40.3461 172.5988 3 K 4.0459 7.1608 126.4881 53.9336 36.2696 173.9329 4 P 4.3574 0.0000 0.0000 62.0771 33.3335 175.0162 5 H 4.5854 9.6628 118.4909 55.2217 30.0866 174.7108 6 V 5.1261 8.6383 123.4993 61.4533 33.9423 174.3740 7 T 5.3142 9.2789 117.1218 60.1253 72.7104 173.0606 8 V 5.3505 8.8338 114.8012 59.8896 35.4462 174.6588 9 A 5.2919 9.3719 123.6532 50.6322 23.2395 174.6885 10 C 5.2667 8.4304 116.7363 57.9889 31.1811 174.3342 11 V 3.9758 9.1647 125.3389 62.1105 32.2599 174.8494 12 V 4.8567 8.4125 129.2168 61.5970 33.4456 173.5541 13 H 5.2836 9.0907 128.0782 54.2943 32.7059 172.4870 14 A 4.3430 9.1452 126.7400 52.2228 22.7521 176.3882 15 E 3.6739 9.2239 115.7629 58.2105 27.7740 175.3254 16 G 3.9457 7.8321 112.1452 46.7455 0.0000 170.9995 17 K 4.8850 7.6368 117.7202 54.2793 36.7766 175.2298 18 F 5.3827 9.5869 122.7468 55.4262 41.9949 174.5346 19 L 3.7138 8.5747 126.2999 54.6932 42.2883 176.1899 20 V 4.4641 8.4259 126.3823 61.0347 35.1240 174.3276 21 V 4.6081 8.2465 119.8986 59.5704 34.3199 174.3438 22 E 5.1561 8.6845 125.6034 55.2155 31.4455 174.3180 23 E 4.9154 9.0225 125.4715 55.3587 33.8660 173.7383 24 T 4.9784 7.7657 120.6664 62.0949 68.8214 174.2957 25 I 3.9029 8.7203 129.0666 61.9990 38.7477 175.6826 26 N 4.6554 7.6029 128.5586 52.9973 37.9682 174.6595 27 G 4.0134 9.1603 113.1965 45.0661 0.0000 171.5653 28 K 4.6370 7.5465 118.4303 54.1751 36.1300 175.2722 29 A 4.6468 8.8096 126.7572 52.1144 18.7369 176.4463 30 L 4.9722 9.8968 122.6803 53.4321 45.7365 175.9004 31 W 5.6094 9.1581 121.2757 55.4801 31.7197 174.8544 32 N 5.3125 8.8277 120.7040 51.6857 42.7071 173.5651 33 Q 4.3394 8.5582 120.7227 55.1451 30.4509 173.5815 34 P 4.5458 0.0000 0.0000 63.2611 32.0080 175.1816 35 A 4.9502 8.9978 126.7334 50.0022 22.7224 174.4317 36 G 4.1040 7.7465 105.9700 45.7298 0.0000 171.7431 37 H 4.9304 8.6297 116.4636 55.3682 29.3442 175.7915 38 L 4.2664 9.2131 125.5753 55.3104 42.6578 175.9511 39 E 4.8197 8.7351 124.5723 53.9251 32.1546 175.6566 40 A 3.9849 8.3924 123.2779 54.0054 18.7908 177.6516 41 D 4.5901 8.9494 119.8654 55.0284 38.2498 173.3070 42 E 5.0010 7.7399 119.3862 54.2235 32.6894 175.4577 43 T 3.6563 8.8738 121.6848 62.5404 70.5945 175.9435 44 L 3.8089 8.0901 123.7831 58.4282 41.6480 180.3756 45 V 3.0918 7.4743 111.3259 64.3958 31.4458 178.3526 46 E 3.8346 7.9732 117.5179 59.0751 29.3006 178.9138 47 A 4.3859 8.5637 122.3349 54.6555 18.4497 179.5735 48 A 3.9671 7.9356 118.8924 55.1918 18.4263 179.6625 49 A 3.9253 8.1371 119.5426 55.1921 18.3977 179.8373 50 R 3.9015 8.1021 117.0852 59.7340 30.1032 178.4400 51 E 4.0218 8.6770 118.7341 59.3581 29.3566 178.9723 52 L 3.9875 8.1185 120.2927 58.0792 42.0276 178.6515 53 W 4.3835 8.2563 129.2284 60.1705 30.6130 177.4815 54 E 3.7421 8.9303 118.7254 59.2339 28.7992 178.6378 55 E 4.3583 8.1277 115.8369 56.8939 30.3316 177.1760 56 T 4.3253 7.4585 106.3425 60.5852 71.3868 174.7475 57 G 3.5604 7.8847 108.1499 45.1777 0.0000 174.0059 58 I 3.9278 7.8108 121.5698 61.0693 37.6200 175.1646 59 S 4.6786 8.6422 118.9513 56.5648 62.8226 172.5132 60 A 4.6970 8.0438 128.1683 50.4468 22.0390 175.4859 61 Q 4.2734 8.4506 122.3815 54.3529 30.0999 174.1586 62 P 4.4808 0.0000 0.0000 63.3725 32.0955 175.6279 63 Q 4.5139 8.7836 119.2366 57.7504 30.1864 175.8468 64 H 5.1676 8.0376 114.1112 53.8680 33.8514 172.4744 65 F 4.7012 9.2171 124.0373 58.7024 39.9707 175.6626 66 I 4.0178 7.5721 126.1816 61.1732 38.7105 175.9250 67 R 4.1299 5.8400 122.2247 56.3142 32.8256 172.1805 68 M 5.0363 8.1556 120.8810 53.8585 35.3383 173.8795 69 H 4.8736 9.0919 122.6328 54.0609 31.5972 172.8542 70 Q 5.1903 8.7810 125.3315 54.5899 29.9298 174.4516 71 W 5.4417 9.2013 122.8429 55.3299 32.2104 173.3062 72 I 4.4453 8.2722 114.9018 58.9976 38.5668 175.5749 73 A 3.4996 8.0553 130.4995 50.8653 18.7844 176.1658 74 P 4.4816 0.0000 0.0000 64.4435 31.6057 176.9436 75 D 4.4809 7.9570 117.5292 53.6241 39.5485 176.6960 76 K 3.8628 7.9588 118.0303 57.4441 30.0935 175.5687 77 T 4.0485 8.2619 117.7889 62.1393 69.3561 172.2208 78 P 4.7326 0.0000 0.0000 62.4487 32.8075 175.1218 79 F 5.1910 9.0195 123.4743 55.4247 43.0314 174.4239 80 L 4.9582 9.1593 122.1189 53.2266 44.1319 175.4839 81 R 5.2734 9.0415 125.7377 53.8450 32.4955 174.3107 82 F 5.1505 9.6210 126.5680 55.9458 41.2495 174.5788 83 L 5.0000 8.9539 126.5800 53.3933 44.1497 175.4258 84 F 5.3213 9.4069 124.4135 55.7081 43.0371 174.0248 85 A 5.3835 9.3575 121.4559 50.4404 22.1502 175.3897 86 I 4.7361 9.1060 122.9456 59.5849 40.5594 174.5013 87 E 4.9788 8.6656 126.1938 55.5527 30.1743 176.3218 88 L 4.9056 8.7145 123.3840 52.8087 44.9113 177.8313 89 E 3.7345 9.0383 121.8588 58.6848 29.8187 176.9813 90 Q 4.5403 7.2267 113.7549 54.6258 31.4467 174.0517 91 I 2.6817 7.8614 121.1998 61.8277 37.5667 175.1941 92 C 4.8472 7.7161 116.5312 55.3603 32.7521 171.9447 93 P 4.5519 0.0000 0.0000 63.3594 31.5034 175.8323 94 T 4.8894 8.0036 108.7783 60.4737 71.8903 173.5676 95 Q 4.2570 8.0203 124.2685 54.7770 31.6973 171.8416 96 P 4.2701 0.0000 0.0000 62.6397 32.2587 176.2796 97 H 4.5552 8.5808 117.7576 55.3018 29.6223 173.6936 98 D 4.7678 7.5063 119.9274 52.1740 42.2616 176.3341 99 S 4.1377 8.8431 123.8622 61.3789 63.0199 175.9006 100 D 4.4445 8.3463 118.9436 56.3541 40.7387 176.3036 101 I 4.4941 7.6923 120.4803 59.8126 38.5330 175.1723 102 D 4.6732 8.9789 126.5874 57.0431 41.4275 176.1256 103 C 4.6496 7.6942 110.5781 57.7278 33.0450 171.9715 104 C 5.2431 8.4316 116.3630 57.9070 30.7712 173.9595 105 R 4.5368 8.4154 117.4441 54.3208 32.8754 173.7772 106 W 5.0358 8.7090 121.6977 55.6317 30.3013 175.9766 107 V 4.7459 9.0765 124.1323 59.6805 34.8820 175.3811 108 S 4.7236 8.7054 115.9087 57.7340 64.3406 175.2304 109 A 4.0671 8.9822 122.7844 55.3458 18.1598 179.5516 110 E 3.9592 8.3401 115.6925 59.9981 29.2348 179.0666 111 E 4.2502 8.3143 118.3845 58.9534 29.2572 179.0880 112 I 4.1879 7.5690 119.7273 63.9583 37.2210 178.1350 113 L 3.9912 8.1875 119.0466 58.1530 41.6066 179.5112 114 Q 4.0939 8.4930 116.3091 57.3713 28.9681 176.8835 115 A 4.0212 6.8536 121.0349 52.5890 18.8066 177.3227 116 S 4.6093 8.2459 114.1800 58.2145 64.7810 174.3950 117 N 4.8927 7.3594 118.8910 52.1542 37.2354 174.2396 118 L 4.7260 7.6244 118.3658 54.6642 42.7940 177.5085 119 R 4.1933 8.8524 125.0536 59.6630 30.5630 176.4300 120 S 4.6057 7.6450 109.9429 55.4554 65.3797 173.6917 121 P 4.2165 0.0000 0.0000 65.0931 30.9246 178.2122 122 L 3.8897 7.1656 116.4995 55.7364 41.1344 178.9936 123 V 3.8160 7.7528 120.6803 65.4405 31.4648 177.7192 124 A 3.7827 7.7513 120.0356 55.2158 18.2783 179.3096 125 E 3.8593 7.6836 117.2143 59.5340 29.4018 179.7828 126 S 4.0873 7.8997 115.3562 61.3440 62.7075 176.8476 127 I 3.3856 7.1063 122.2510 64.2665 36.8055 178.3259 128 R 4.1338 7.5730 118.5993 59.7405 29.7258 178.8310 129 C 4.0840 7.8840 114.6357 62.9981 28.5069 175.2948 130 Y 4.1327 8.0555 121.0683 60.8996 38.1986 178.1381 131 Q 4.0955 8.8811 119.1320 58.6985 28.8162 178.2652 132 S 4.1873 7.7996 115.1585 59.7847 62.8377 175.8166 133 G 3.7072 7.8915 109.4994 44.5530 0.0000 173.0715 134 Q 3.9613 7.1931 118.7402 55.5041 29.2250 175.4648 135 R 4.6077 7.7667 120.4639 54.3951 34.4225 174.1099 136 Y 5.2028 8.7246 117.0479 55.6575 42.8829 173.4523 137 P 4.9434 0.0000 0.0000 62.6484 32.9335 177.3744 138 L 4.2286 8.6871 120.1517 57.8917 41.4842 179.4778 139 E 4.0443 8.2691 118.0745 59.2785 29.1479 178.6150 140 M 4.1147 7.5933 117.1613 57.1971 32.2359 176.2665 141 I 4.4400 7.2536 111.7878 60.2586 38.1536 176.0317 142 G 3.7498 7.9914 109.8755 45.6729 0.0000 174.0999 143 D 4.5457 8.0821 119.8825 53.1028 40.0023 175.6557 144 F 4.8494 8.4326 121.0607 57.9724 42.1102 173.9182 145 N 3.9148 8.3744 125.8361 53.6153 36.1403 174.4176 146 W 4.2518 8.1350 126.5593 56.7726 31.7302 173.7904 147 P 4.0746 0.0000 0.0000 65.2504 31.2241 176.9677 148 F 4.5862 6.4854 115.9504 56.4146 39.7634 175.1843 149 T 4.4745 8.3822 112.4066 61.7831 70.8711 175.8507 150 K 4.6631 8.3701 121.2807 56.9250 32.2429 180.5257 151 G 3.9537 8.8891 120.5611 45.5259 0.0000 171.8740 152 V 4.3617 7.5616 117.8153 61.4949 34.9417 175.4190 153 I 3.5920 8.2999 114.3631 61.3673 38.5477 173.4908 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 4.42 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 F 8.20 4.16 0.00 3.10 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 3 K 7.16 4.05 0.00 1.50 1.45 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.30 7.81 4 P 0.00 4.36 0.00 2.08 2.06 0.00 3.60 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 5 H 9.66 4.59 0.00 2.46 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.64 5.13 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 1.38 0.00 0.00 1.09 0.00 0.00 7 T 9.28 5.31 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 8 V 8.83 5.35 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 0.97 0.00 0.00 1.09 0.00 0.00 9 A 9.37 5.29 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 10 C 8.43 5.27 0.00 2.82 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 11 V 9.16 3.98 2.15 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 0.80 0.00 0.00 0.89 0.00 0.00 12 V 8.41 4.86 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 1.10 0.00 0.00 1.01 0.00 0.00 13 H 9.09 5.28 0.00 2.76 3.13 0.00 5.83 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 14 A 9.15 4.34 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 15 E 9.22 3.67 0.00 2.04 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 1.94 2.08 0.00 16 G 7.83 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 17 K 7.64 4.89 0.00 1.79 1.83 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 18 F 9.59 5.38 0.00 2.86 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 19 L 8.57 3.71 0.00 0.27 1.15 -0.25 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.43 4.46 1.89 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 0.19 0.00 0.00 0.93 0.00 0.00 21 V 8.25 4.61 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 0.65 0.00 0.00 0.91 0.00 0.00 22 E 8.68 5.16 0.00 2.04 1.83 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 2.42 2.73 0.00 23 E 9.02 4.92 0.00 2.08 1.75 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 2.24 2.42 0.00 24 T 7.77 4.98 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 1.25 0.00 0.00 25 I 8.72 3.90 1.89 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 1.50 0.79 0.92 0.00 0.00 26 N 7.60 4.66 0.00 2.82 2.79 0.00 0.00 6.14 7.00 0.00 0.00 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 G 9.16 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 0.00 0.00 0.00 28 K 7.55 4.64 0.00 1.66 1.64 0.00 1.64 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.40 7.81 29 A 8.81 4.65 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 30 L 9.90 4.97 0.00 1.59 1.56 0.85 0.74 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 31 W 9.16 5.61 0.00 3.16 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 32 N 8.83 5.31 0.00 2.84 2.59 0.00 0.00 7.12 6.80 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 33 Q 8.56 4.34 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 34 P 0.00 4.55 0.00 2.06 1.99 0.00 3.74 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 2.03 1.96 0.00 35 A 9.00 4.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.75 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 37 H 8.63 4.93 0.00 3.15 3.31 0.00 5.71 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 38 L 9.21 4.27 0.00 1.68 1.81 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.74 4.82 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 2.27 2.28 0.00 40 A 8.39 3.98 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 41 D 8.95 4.59 0.00 2.55 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 42 E 7.74 5.00 0.00 2.26 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 0.00 2.17 2.23 0.00 43 T 8.87 3.66 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 0.93 0.00 0.00 44 L 8.09 3.81 0.00 1.49 1.67 0.13 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.47 3.09 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 0.63 0.00 0.00 0.76 0.00 0.00 46 E 7.97 3.83 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.26 0.00 47 A 8.56 4.39 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 48 A 7.94 3.97 1.16 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 0.00 0.00 49 A 8.14 3.93 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 50 R 8.10 3.90 0.00 2.04 2.15 0.00 3.32 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 51 E 8.68 4.02 0.00 2.15 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 2.55 2.54 0.00 52 L 8.12 3.99 0.00 2.00 1.90 0.99 0.81 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 53 W 8.26 4.38 0.00 3.49 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 54 E 8.93 3.74 0.00 2.22 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 2.53 2.80 0.00 55 E 8.13 4.36 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 56 T 7.46 4.33 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 57 G 7.88 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.81 3.93 1.92 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 1.30 1.33 1.01 0.00 0.00 59 S 8.64 4.68 0.00 4.03 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 60 A 8.04 4.70 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.45 4.27 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 62 P 0.00 4.48 0.00 2.09 1.88 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 63 Q 8.78 4.51 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 64 H 8.04 5.17 0.00 3.21 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.22 4.70 0.00 3.37 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 66 I 7.57 4.02 1.73 0.00 0.00 1.00 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 0.72 0.82 0.00 0.00 67 R 5.84 4.13 0.00 1.76 1.54 0.00 2.99 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.25 0.00 68 M 8.16 5.04 0.00 1.81 1.62 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.02 0.00 69 H 9.09 4.87 0.00 3.08 3.14 0.00 5.85 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.78 5.19 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 71 W 9.20 5.44 0.00 3.64 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 72 I 8.27 4.45 1.74 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 1.27 0.55 0.88 0.00 0.00 73 A 8.06 3.50 1.08 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 0.00 0.00 74 P 0.00 4.48 0.00 2.23 2.26 0.00 3.89 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 75 D 7.96 4.48 0.00 2.78 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 76 K 7.96 3.86 0.00 1.91 1.96 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.51 7.81 77 T 8.26 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 78 P 0.00 4.73 0.00 2.21 2.26 0.00 3.23 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.08 0.00 79 F 9.02 5.19 0.00 2.85 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 80 L 9.16 4.96 0.00 1.80 1.67 1.03 1.12 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 81 R 9.04 5.27 0.00 2.05 2.01 0.00 3.13 0.00 0.00 3.19 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 82 F 9.62 5.15 0.00 3.26 3.12 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 83 L 8.95 5.00 0.00 1.63 1.41 0.92 0.92 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 84 F 9.41 5.32 0.00 3.20 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 85 A 9.36 5.38 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 9.11 4.74 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.06 1.05 0.00 0.00 87 E 8.67 4.98 0.00 1.98 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 2.47 2.54 0.00 88 L 8.71 4.91 0.00 1.53 1.49 1.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 89 E 9.04 3.73 0.00 1.93 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 0.00 2.29 2.28 0.00 90 Q 7.23 4.54 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 91 I 7.86 2.68 1.36 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.18 -0.30 0.00 0.00 92 C 7.72 4.85 0.00 3.05 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 93 P 0.00 4.55 0.00 2.09 2.06 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 94 T 8.00 4.89 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 1.29 0.00 0.00 95 Q 8.02 4.26 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.08 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 96 P 0.00 4.27 0.00 1.85 1.96 0.00 3.54 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 97 H 8.58 4.56 0.00 2.59 2.95 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.51 4.77 0.00 2.70 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 99 S 8.84 4.14 0.00 3.90 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 0.00 100 D 8.35 4.44 0.00 2.95 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 0.00 101 I 7.69 4.49 1.89 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 1.51 0.76 0.93 0.00 0.00 102 D 8.98 4.67 0.00 2.56 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 0.00 103 C 7.69 4.65 0.00 2.90 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 0.00 104 C 8.43 5.24 0.00 2.66 2.51 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 0.00 105 R 8.42 4.54 0.00 1.59 1.74 0.00 2.33 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.86 0.00 106 W 8.71 5.04 0.00 3.15 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 0.00 107 V 9.08 4.75 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 0.70 0.00 0.00 0.98 0.00 0.00 108 S 8.71 4.72 0.00 4.21 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 A 8.98 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 0.00 110 E 8.34 3.96 0.00 2.21 2.28 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 2.43 2.41 0.00 111 E 8.31 4.25 0.00 2.29 2.31 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 2.44 2.60 0.00 112 I 7.57 4.19 1.95 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 1.69 1.38 0.92 0.00 0.00 113 L 8.19 3.99 0.00 1.68 1.73 0.86 0.99 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 0.00 114 Q 8.49 4.09 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 115 A 6.85 4.02 1.14 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 0.00 0.00 116 S 8.25 4.61 0.00 3.71 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 0.00 117 N 7.36 4.89 0.00 2.61 2.69 0.00 0.00 6.20 6.67 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 0.00 118 L 7.62 4.73 0.00 1.47 1.58 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.85 4.19 0.00 1.82 2.08 0.00 3.39 0.00 0.00 3.31 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 120 S 7.64 4.61 0.00 3.73 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.22 0.00 1.93 2.02 0.00 3.27 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 1.99 2.11 0.00 122 L 7.17 3.89 0.00 1.24 1.30 -0.56 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.75 3.82 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 1.32 0.00 0.00 1.07 0.00 0.00 124 A 7.75 3.78 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 E 7.68 3.86 0.00 1.83 1.76 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 2.19 2.29 0.00 126 S 7.90 4.09 0.00 3.98 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 0.00 127 I 7.11 3.39 1.79 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 -0.20 0.73 0.00 0.00 128 R 7.57 4.13 0.00 1.94 1.96 0.00 3.09 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 129 C 7.88 4.08 0.00 3.09 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 0.00 130 Y 8.06 4.13 0.00 3.13 3.06 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 0.00 131 Q 8.88 4.10 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 132 S 7.80 4.19 0.00 3.97 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 0.00 133 G 7.89 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 0.00 0.00 0.00 134 Q 7.19 3.96 0.00 1.75 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 135 R 7.77 4.61 0.00 1.42 1.72 0.00 3.02 0.00 0.00 3.05 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.50 0.00 136 Y 8.72 5.20 0.00 3.24 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 0.00 137 P 0.00 4.94 0.00 2.21 2.29 0.00 3.94 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 138 L 8.69 4.23 0.00 1.76 1.82 1.00 1.14 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 0.00 139 E 8.27 4.04 0.00 2.01 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 2.42 2.34 0.00 140 M 7.59 4.11 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.51 0.00 141 I 7.25 4.44 1.61 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 0.62 -0.11 0.53 0.00 0.00 142 G 7.99 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.08 4.55 0.00 2.66 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 0.00 0.00 0.00 144 F 8.43 4.85 0.00 2.91 3.01 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 0.00 145 N 8.37 3.91 0.00 2.53 2.58 0.00 0.00 7.08 7.68 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 0.00 146 W 8.13 4.25 0.00 3.43 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 0.00 147 P 0.00 4.07 0.00 1.12 1.59 0.00 2.20 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.23 0.00 148 F 6.49 4.59 0.00 3.21 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 0.00 149 T 8.38 4.47 4.30 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 1.26 0.00 0.00 150 K 8.37 4.66 0.00 1.72 0.95 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.53 7.81 151 G 8.89 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 0.00 152 V 7.56 4.36 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 0.86 0.00 0.00 0.93 0.00 0.00 153 I 8.30 3.59 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 0.91 0.00 0.00