NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.2165 8.0093 121.4395 61.5988 37.6216 174.6886 5 N 4.9211 8.3276 122.9227 50.0414 38.2899 172.5585 6 T 4.6945 8.4953 110.3755 60.6071 73.3215 175.9312 7 F 4.2356 8.4870 120.8191 61.1666 39.0612 177.7956 8 D 4.5485 8.3240 117.9423 57.2346 40.7495 178.8238 9 G 3.7101 7.9733 105.8813 48.0035 0.0000 175.9491 10 V 3.6825 8.3068 121.2413 65.2886 31.4568 177.8124 11 A 4.0725 8.1993 120.6092 55.4867 18.1983 179.3541 12 D 4.2530 8.2814 117.2540 57.5423 40.8911 178.3799 13 Y 3.9093 8.0242 119.9137 60.7646 38.7717 178.2161 14 L 4.1839 8.3812 120.1952 58.0909 41.5297 179.6669 15 Q 3.6762 8.0937 117.0443 58.7404 28.6111 178.7583 16 T 3.5244 7.4818 116.3020 66.1519 68.6721 175.8633 17 Y 4.3798 7.2995 114.9202 56.6986 39.0601 175.3221 18 H 3.5816 7.9401 116.5102 55.8450 26.7467 174.3328 19 K 4.5748 7.6542 114.3919 56.1866 34.6940 174.6020 20 L 4.2057 8.3697 119.7905 53.5204 42.4943 175.3439 21 P 3.6912 0.0000 0.0000 62.1101 31.7471 177.5549 22 D 4.4518 8.3679 119.5813 57.1905 40.8928 177.5068 23 N 4.4914 8.0368 114.8739 53.5406 37.6729 173.5884 24 Y 5.1085 7.4489 116.8092 56.7505 40.1889 175.1922 25 I 4.9768 8.5070 115.2125 59.4236 41.5248 174.8264 26 T 4.6063 9.4146 115.1310 60.7806 70.0693 175.5856 27 K 3.9352 9.3466 122.5949 60.0075 32.1000 179.8765 28 S 4.3370 8.1434 113.7321 61.3406 62.7654 176.2514 29 E 3.9460 7.8383 121.4100 59.1328 29.5265 178.8113 30 A 4.1524 8.3673 121.1037 55.3241 18.6114 179.3993 31 Q 4.3153 8.7956 116.8602 59.5635 28.6739 179.5248 32 A 4.1492 7.9320 119.7826 54.5424 18.4913 178.9042 33 L 4.3159 7.8175 116.0736 55.0292 41.9171 177.5426 34 G 4.2290 7.5218 107.8860 45.0759 0.0000 173.6309 35 W 4.4709 8.2193 129.5384 56.7431 31.4519 175.7247 36 V 3.7593 8.9678 125.1581 60.5369 32.4960 175.4583 37 A 3.4817 7.5137 131.0240 55.2912 18.0777 179.7119 38 S 4.3420 7.9088 109.4011 61.0402 62.9209 175.3649 39 K 4.3055 7.8841 117.6048 55.3223 32.8411 176.2385 40 G 2.9872 7.2341 108.5694 46.3592 0.0000 174.0146 41 N 5.0541 7.7357 111.3026 52.3816 38.4649 176.3339 42 L 3.9520 8.4929 122.4006 59.0337 41.7257 178.8756 43 A 4.3504 8.1029 118.0698 54.7438 18.3687 178.8250 44 D 4.4477 7.9682 117.3236 57.0482 41.0927 178.4166 45 V 4.1938 7.7611 109.9046 61.5161 33.9782 176.4442 46 A 4.6719 8.4103 121.7760 49.4274 19.4112 173.5647 47 P 4.4158 0.0000 0.0000 63.8185 32.2431 177.6966 48 G 3.8716 8.9290 110.2452 45.3535 0.0000 172.9544 49 K 4.7556 7.6947 118.3129 54.9112 34.4605 175.9857 50 S 4.5232 8.3303 117.2173 56.5504 67.5979 173.4339 51 I 4.3664 7.9080 123.1634 61.2730 38.0914 175.3272 52 G 4.2432 9.2352 111.8351 46.9414 0.0000 174.4190 53 G 4.5825 9.7866 110.1795 44.4429 0.0000 173.9773 54 D 4.7582 7.9501 119.4440 53.7082 42.4843 175.8771 55 I 4.2695 8.3351 122.0101 61.5131 37.9947 175.0883 56 F 4.7432 8.6618 128.8848 56.4897 40.5875 175.0027 57 S 3.8176 8.0297 121.4782 61.2643 62.5293 175.2468 58 N 4.0686 6.4394 116.0601 54.4671 36.5188 176.4655 59 R 3.8429 7.8123 117.3264 58.9634 30.7646 177.8830 60 E 4.1789 8.1751 115.0065 55.9197 29.8580 176.7767 61 G 4.3169 7.6416 106.5454 46.5061 0.0000 175.5807 62 K 4.1236 7.5263 118.8859 57.6747 32.5108 177.6384 63 L 3.9258 7.3044 118.4559 51.2119 43.1395 174.5311 64 P 4.2040 0.0000 0.0000 63.4793 31.3365 175.8322 65 G 4.2739 8.2693 111.3385 43.9279 0.0000 172.3536 66 K 4.3946 7.8791 119.0540 54.8405 34.9524 174.8509 67 S 4.3435 8.5259 120.2786 59.6454 63.4435 174.6520 68 G 3.8686 8.9254 112.6334 44.9477 0.0000 172.9281 69 R 4.2143 7.4419 120.8788 55.5769 30.8745 175.6863 70 T 4.6707 8.2865 116.2427 59.6174 72.0169 172.9487 71 W 5.0904 8.5806 122.2888 55.1400 32.6401 174.7818 72 R 5.1657 8.8445 121.2483 54.3810 34.3988 173.8416 73 E 5.5452 9.1487 118.1038 55.0457 33.7824 174.3347 74 A 4.9943 8.6746 120.2255 50.7867 22.9473 175.6460 75 D 5.0453 9.2762 122.2945 54.3756 40.7650 176.1165 76 I 4.4095 8.1833 121.8900 60.2155 41.0314 175.8234 77 N 4.2370 8.7772 121.0891 54.1366 36.6195 173.6297 78 Y 4.3254 7.3155 120.9561 57.1886 39.6864 174.7399 79 T 3.9861 7.2311 115.1341 62.2330 70.5083 173.6958 80 S 4.1857 6.4618 112.5994 58.2713 65.9021 175.3707 81 G 3.9202 8.6147 106.6223 46.0035 0.0000 173.3890 82 F 4.4570 8.7131 120.2297 57.0652 39.7955 175.4607 83 R 4.3144 8.7016 121.9396 56.5108 30.8069 176.9774 84 N 5.0251 8.4454 117.7786 52.5189 39.7397 175.6191 85 C 4.8118 8.6421 116.0317 57.3527 38.2670 172.9482 86 D 5.3734 8.3605 121.2102 53.8030 41.6889 175.8489 87 R 4.9465 9.4338 122.0503 54.6003 35.3881 173.6995 88 I 5.1173 9.0903 122.5937 59.3773 40.8028 174.0820 89 L 5.6146 9.5060 129.3397 53.1597 44.5689 175.0419 90 Y 5.6788 9.2875 121.8111 55.4176 41.6521 175.0399 91 S 4.2868 8.1709 117.2215 56.3120 65.1672 175.3237 92 S 3.5374 7.8994 115.0871 60.0504 62.7414 174.8153 93 D 4.5783 7.1013 119.2834 52.4325 39.2903 175.7402 94 W 3.7709 6.6284 116.8274 58.4657 27.0047 174.3973 95 L 4.5611 7.9044 118.1431 54.2849 42.3622 176.0805 96 I 5.4721 8.6947 122.8079 60.0117 40.6318 174.2817 97 Y 5.3014 9.9795 123.9369 56.0361 42.3939 174.5068 98 K 5.3444 9.4132 119.3660 55.7434 36.5774 175.1210 99 T 4.9469 9.2670 116.0745 60.5816 70.8111 174.0778 100 T 4.9960 8.8282 115.0246 60.3439 69.5059 173.3905 101 D 4.7576 7.1865 121.6821 53.6429 40.2213 175.8350 102 C 3.4478 8.3168 111.5850 59.6756 37.8480 173.2247 103 Y 3.0784 7.1276 109.7002 59.1890 35.9962 172.2660 104 Q 4.1421 7.7860 119.8068 58.3801 29.0579 176.6675 105 T 4.6279 8.2760 105.2544 59.6748 71.9116 172.7641 106 F 5.3347 8.4600 119.6289 56.2315 43.2776 174.4159 107 T 4.7530 8.9677 117.1234 61.5372 72.3643 173.3099 108 K 3.4392 8.6248 127.9751 55.9549 32.3836 176.4041 109 I 4.4580 8.6263 119.2956 60.5373 39.4394 175.7290 110 R 4.1765 7.5396 125.4443 56.7237 31.0455 174.5458 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 4 I 8.01 4.22 1.78 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.02 0.94 0.00 0.00 5 N 8.33 4.92 0.00 2.83 2.82 0.00 0.00 5.82 6.34 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 6 T 8.50 4.69 4.29 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 1.22 0.00 0.00 7 F 8.49 4.24 0.00 3.11 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 8 D 8.32 4.55 0.00 2.76 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 9 G 7.97 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 10 V 8.31 3.68 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 0.93 0.00 0.00 1.08 0.00 0.00 11 A 8.20 4.07 1.49 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 12 D 8.28 4.25 0.00 2.85 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 Y 8.02 3.91 0.00 3.27 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 14 L 8.38 4.18 0.00 1.91 1.84 0.46 0.41 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 15 Q 8.09 3.68 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 16 T 7.48 3.52 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 17 Y 7.30 4.38 0.00 2.46 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.94 3.58 0.00 3.18 3.40 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.65 4.57 0.00 1.95 1.89 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.65 7.81 20 L 8.37 4.21 0.00 1.65 1.44 0.82 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.69 0.00 2.16 1.01 0.00 3.61 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.32 0.00 22 D 8.37 4.45 0.00 2.61 2.71 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 23 N 8.04 4.49 0.00 2.77 2.89 0.00 0.00 6.19 7.57 0.00 0.00 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 Y 7.45 5.11 0.00 3.01 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 25 I 8.51 4.98 1.86 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 1.33 0.74 0.90 0.00 0.00 26 T 9.41 4.61 4.63 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 1.40 0.00 0.00 27 K 9.35 3.94 0.00 1.95 2.19 0.00 1.83 0.00 0.00 1.96 0.00 0.00 3.14 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.72 1.66 7.81 28 S 8.14 4.34 0.00 4.10 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 29 E 7.84 3.95 0.00 2.16 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 2.38 2.36 0.00 30 A 8.37 4.15 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 31 Q 8.80 4.32 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.95 0.00 32 A 7.93 4.15 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 33 L 7.82 4.32 0.00 1.89 1.77 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.52 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 0.00 0.00 0.00 0.00 35 W 8.22 4.47 0.00 3.17 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 36 V 8.97 3.76 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 0.78 0.00 0.00 0.90 0.00 0.00 37 A 7.51 3.48 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 38 S 7.91 4.34 0.00 3.84 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 39 K 7.88 4.31 0.00 1.81 1.78 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.34 7.81 40 G 7.23 2.99 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 0.00 0.00 0.00 41 N 7.74 5.05 0.00 2.99 2.99 0.00 0.00 5.72 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 42 L 8.49 3.95 0.00 1.32 1.60 0.50 0.33 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 43 A 8.10 4.35 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 44 D 7.97 4.45 0.00 2.90 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 45 V 7.76 4.19 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 0.87 0.00 0.00 1.08 0.00 0.00 46 A 8.41 4.67 1.17 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 0.00 0.00 47 P 0.00 4.42 0.00 2.03 2.02 0.00 3.72 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.29 0.00 48 G 8.93 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.69 4.76 0.00 1.63 1.59 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.51 7.81 50 S 8.33 4.52 0.00 2.92 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.91 4.37 1.66 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.15 0.83 0.00 0.00 52 G 9.24 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 9.79 4.58 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 54 D 7.95 4.76 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.34 4.27 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.46 0.89 0.00 0.00 56 F 8.66 4.74 0.00 2.97 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.03 3.82 0.00 3.46 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 58 N 6.44 4.07 0.00 2.88 2.79 0.00 0.00 7.05 7.65 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 59 R 7.81 3.84 0.00 1.72 1.89 0.00 3.12 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.00 60 E 8.18 4.18 0.00 2.07 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 2.38 2.28 0.00 61 G 7.64 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 0.00 0.00 0.00 0.00 62 K 7.53 4.12 0.00 1.94 2.09 0.00 1.99 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.50 7.81 63 L 7.30 3.93 0.00 0.65 0.13 -0.89 -0.74 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 64 P 0.00 4.20 0.00 2.33 2.18 0.00 2.89 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 65 G 8.27 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.88 4.39 0.00 1.75 1.58 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.33 1.36 7.81 67 S 8.53 4.34 0.00 4.00 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 68 G 8.93 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.44 4.21 0.00 1.69 1.90 0.00 3.24 0.00 0.00 2.59 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.12 0.00 70 T 8.29 4.67 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 1.12 0.00 0.00 71 W 8.58 5.09 0.00 3.49 3.10 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 72 R 8.84 5.17 0.00 0.67 1.17 0.00 2.96 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.32 0.00 73 E 9.15 5.55 0.00 2.17 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 0.00 2.46 2.38 0.00 74 A 8.67 4.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.28 5.05 0.00 2.67 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 76 I 8.18 4.41 1.20 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 1.09 0.75 -0.15 0.00 0.00 77 N 8.78 4.24 0.00 2.91 2.90 0.00 0.00 6.89 8.31 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 78 Y 7.32 4.33 0.00 3.19 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 79 T 7.23 3.99 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 1.07 0.00 0.00 80 S 6.46 4.19 0.00 3.86 3.68 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 81 G 8.61 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 0.00 0.00 0.00 82 F 8.71 4.46 0.00 3.16 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 R 8.70 4.31 0.00 1.95 1.92 0.00 3.22 0.00 0.00 3.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 84 N 8.45 5.03 0.00 2.86 2.96 0.00 0.00 5.94 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 85 C 8.64 4.81 0.00 2.87 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 8.36 5.37 0.00 2.91 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.43 4.95 0.00 1.61 1.82 0.00 3.49 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.00 88 I 9.09 5.12 2.07 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.95 1.00 0.00 0.00 89 L 9.51 5.61 0.00 1.58 1.41 1.13 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.29 5.68 0.00 3.04 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 91 S 8.17 4.29 0.00 2.86 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 92 S 7.90 3.54 0.00 3.71 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 93 D 7.10 4.58 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.63 3.77 0.00 3.56 3.39 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 95 L 7.90 4.56 0.00 1.80 2.00 1.08 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.69 5.47 2.00 0.00 0.00 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 1.60 1.15 1.12 0.00 0.00 97 Y 9.98 5.30 0.00 2.81 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 98 K 9.41 5.34 0.00 1.49 1.77 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.49 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.07 1.10 7.81 99 T 9.27 4.95 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 1.10 0.00 0.00 100 T 8.83 5.00 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 0.00 101 D 7.19 4.76 0.00 2.79 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 0.00 102 C 8.32 3.45 0.00 3.11 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.13 3.08 0.00 3.17 3.30 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 0.00 104 Q 7.79 4.14 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 105 T 8.28 4.63 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 0.00 106 F 8.46 5.33 0.00 2.90 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 0.00 107 T 8.97 4.75 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 1.14 0.00 0.00 108 K 8.62 3.44 0.00 1.12 1.45 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.12 0.77 7.81 109 I 8.63 4.46 1.84 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 0.84 0.00 0.00 110 R 7.54 4.18 0.00 1.89 1.84 0.00 3.34 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00