NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2616 8.2644 123.5823 51.6787 21.0506 176.7861 6 D 4.5065 7.6048 115.2359 52.6615 42.6340 173.7307 7 S 4.4952 8.1817 115.7737 57.9958 66.0189 173.6791 8 Q 4.3290 8.3012 122.9330 55.5760 30.7022 173.1308 9 I 4.3192 8.4520 127.0216 59.7454 38.6416 175.0779 10 Q 4.5791 8.4968 124.6520 54.1654 29.6266 175.2855 11 F 4.3257 9.1666 123.0857 57.0745 39.1164 176.5797 12 T 4.1857 8.5797 117.0605 63.4492 69.4936 175.5606 13 R 4.5233 7.9367 117.7385 56.4242 30.1127 177.6222 14 H 4.1331 8.2394 118.7349 59.9082 29.7995 176.8436 15 A 3.9274 8.1542 122.1282 55.5042 17.9865 179.4605 16 S 3.9981 7.9190 110.8083 61.6746 62.6282 175.9922 17 D 4.3342 7.9865 121.5669 56.9501 40.4986 178.8565 18 V 3.4748 7.9894 119.3533 65.8909 31.4987 177.6803 19 L 3.8475 7.9627 120.0818 58.0557 41.9387 178.4832 20 L 3.9393 8.0147 120.1746 58.5865 42.0406 178.8838 21 N 4.4046 8.2983 116.1324 56.1473 38.4212 177.4408 22 L 4.0505 8.5952 120.9438 57.8931 41.7069 179.0941 23 N 4.4039 8.6377 117.1223 56.6121 38.7824 177.2537 24 R 3.9418 8.0595 119.6814 58.9609 30.1340 178.8307 25 L 3.9908 8.0690 118.9260 57.8189 41.6564 179.5825 26 R 3.7689 8.0867 118.7752 59.3896 29.8134 178.5880 27 S 4.2251 7.9010 112.1529 60.3248 63.2971 175.4517 28 R 4.2897 8.0526 120.3881 54.9764 30.2926 175.3395 29 D 4.3178 7.8390 117.1986 55.2174 40.2002 173.2196 30 I 4.1595 8.2822 118.7764 60.7171 38.0813 176.2027 31 L 3.7516 8.8838 123.0738 55.3079 39.6004 174.7475 32 T 3.9257 7.3944 108.8519 62.3925 68.7890 173.4392 33 D 5.0423 8.6760 121.5520 52.8040 40.9419 175.4756 34 V 4.7435 7.5300 117.8611 60.6981 35.2234 173.1143 35 V 4.8305 8.8030 122.6462 61.3856 33.9704 174.1971 36 I 4.9078 8.9824 129.2644 59.9789 39.1173 174.5943 37 V 4.7215 8.8296 127.9699 61.3150 33.6618 174.7334 38 V 4.3874 8.7067 127.4950 61.6302 34.2150 177.4453 39 S 3.8057 9.0177 127.3588 60.1128 61.8356 173.7470 40 R 4.5210 9.1554 124.0140 56.7318 30.3286 174.9555 41 E 4.7038 8.3048 118.5855 54.7691 32.8121 174.9641 42 Q 4.9448 7.7575 118.9468 54.3037 32.7235 174.7029 43 F 4.9117 9.3708 122.0651 55.7693 42.5030 174.6115 44 R 4.8964 8.8401 122.4919 56.0578 31.4782 175.3287 45 A 4.5533 8.6218 122.8172 51.7294 23.9247 174.3139 46 H 5.1745 9.0808 116.1239 54.3940 30.2804 176.4188 47 K 3.4710 9.2133 124.6255 59.8927 31.8473 179.3169 48 T 3.8260 7.8008 109.1579 64.8808 68.4438 176.4315 49 V 3.4159 7.6321 120.4860 65.5826 31.6066 177.8161 50 L 3.9808 7.8586 118.8117 58.2023 41.2217 179.4412 51 M 4.4231 8.3288 117.4938 57.9487 32.0993 178.0468 52 A 4.2717 8.2121 119.2531 53.7485 18.6746 177.5537 53 C 4.7396 7.6599 112.3758 58.9979 31.0579 174.2898 54 S 4.8815 8.3488 114.2652 55.7883 64.7835 174.9819 55 G 3.6256 8.5441 114.2233 47.6941 0.0000 175.7047 56 L 3.7815 7.4677 121.6715 58.1069 41.9920 179.2211 57 F 4.2660 7.9909 117.2150 60.2843 38.5155 176.8684 58 Y 4.1889 8.1924 119.4598 61.3213 38.5476 178.8309 59 S 4.1473 8.1738 115.3646 61.1808 62.6584 176.8775 60 I 3.5189 7.1388 121.9200 64.1936 36.9872 177.7805 61 F 4.7456 7.7843 116.1773 58.5585 38.8076 177.0217 62 T 4.3669 7.1494 114.5583 62.7868 69.3447 174.2845 63 D 4.4087 7.4387 122.0314 53.8819 41.3919 176.7303 64 Q 4.1382 8.6070 124.5939 57.9969 29.0506 176.9408 65 L 4.2412 8.7789 118.5221 56.2380 42.0105 177.4939 66 K 4.5675 8.1501 117.0083 56.0149 34.4150 178.0208 67 R 4.1978 8.0946 117.7940 58.3941 29.8428 176.3129 68 N 5.0345 7.9269 111.0482 52.5586 39.6692 174.2637 69 L 4.1885 8.0992 119.5214 55.2108 42.1507 177.1684 70 S 4.8908 8.6697 115.4967 58.2286 64.7752 173.3642 71 V 4.9368 7.7891 120.2128 61.3162 34.3346 174.4510 72 I 4.7218 8.8373 127.4582 59.6601 40.9022 173.8978 73 N 5.2612 8.7982 124.2190 51.7439 39.6216 175.1599 74 L 4.3965 8.6724 124.5280 53.7323 43.1534 176.5040 75 D 4.3008 8.7567 119.8795 54.2059 41.4174 176.2468 76 P 4.3722 0.0000 0.0000 65.6613 31.1227 176.8427 77 E 4.0456 8.0762 118.2051 57.4580 29.7973 176.5358 78 I 3.8722 7.5347 120.2408 61.1074 38.0166 175.2436 79 N 4.7068 8.4890 122.7758 52.0340 40.2967 173.9165 80 P 4.4895 0.0000 0.0000 65.8921 31.5551 178.2540 81 E 4.0996 8.3679 117.5682 59.2616 29.7578 178.8054 82 G 3.6699 9.6171 106.9748 47.8116 0.0000 175.3148 83 F 3.9943 8.4857 123.4813 60.9111 39.4191 176.5292 84 N 3.9123 8.3787 117.0253 56.8960 38.7054 176.8871 85 I 3.7651 7.8228 120.9990 64.2238 37.0472 178.4652 86 L 4.1045 7.7410 119.9462 57.3402 41.5739 179.1660 87 L 3.8089 7.6688 120.7053 58.2102 41.9584 178.6044 88 D 4.4223 8.0636 118.7955 57.4649 40.7972 178.6193 89 F 4.4317 8.1422 122.2488 61.1287 39.1822 176.9063 90 M 3.5953 8.0503 117.1817 58.1403 31.8595 177.5049 91 Y 4.3427 7.6822 113.4193 58.3465 38.5818 176.2257 92 T 4.4348 7.3826 107.4064 60.4331 70.6410 175.3356 93 S 4.1239 8.5066 116.8051 57.9823 61.4255 168.6581 94 R 4.4867 8.1073 120.5815 54.3325 30.9861 174.9485 95 L 4.4564 8.4899 125.4195 53.4401 42.3493 175.3757 96 N 4.7009 8.5621 124.9313 51.8586 38.8275 174.6360 97 L 4.7998 8.0914 122.8616 52.8399 44.8848 176.3109 98 R 4.8117 8.9292 119.5132 54.1453 34.1610 176.2474 99 E 3.9792 9.1024 119.5555 59.4824 29.4926 178.5310 100 G 4.0784 8.0331 105.0322 45.2792 0.0000 173.5739 101 N 4.9843 8.3894 114.6282 51.0272 39.7589 176.1902 102 I 3.6208 7.9404 119.5328 64.7002 37.9005 177.3253 103 M 4.0980 8.0088 118.8503 58.1136 31.9316 178.3674 104 A 3.9700 7.9406 120.6034 55.0786 18.6262 179.6056 105 V 3.5107 8.0908 117.0981 66.2585 31.5510 178.0278 106 M 3.9574 7.9619 117.6020 58.6159 32.1526 177.8248 107 A 4.0178 8.1712 121.0980 55.7661 18.3934 179.8361 108 T 3.9472 8.0045 113.7818 66.6729 68.5230 177.0669 109 A 4.0277 8.1947 122.7690 55.1916 18.3258 179.5811 110 M 3.9859 8.2312 117.2986 58.8872 31.9049 178.2694 111 Y 4.1831 7.8141 118.0460 60.4500 38.7217 176.7165 112 L 3.9607 8.3177 117.7324 53.9653 42.3307 176.3234 113 Q 3.4645 7.9445 117.7421 57.9815 26.7663 174.5302 114 M 5.0129 7.9692 117.6841 53.4588 32.4975 177.0086 115 E 4.0149 8.1110 122.5146 59.1291 30.3632 177.4076 116 H 4.2358 8.3861 115.1213 58.3820 28.5469 177.7106 117 V 3.2502 7.2897 120.6127 65.5922 31.3661 177.7672 118 V 3.5329 7.4197 117.9688 66.3465 31.3382 177.7619 119 D 4.3528 8.2446 118.4299 57.6509 40.6446 178.8960 120 T 3.9090 7.9447 116.2390 67.0689 68.1817 176.0036 121 C 4.0883 8.2129 117.8735 62.5416 28.3526 175.9177 122 R 4.0615 8.3186 119.3288 59.6802 29.6899 179.0410 123 K 3.9895 8.4176 117.8365 58.9024 32.1400 177.4292 124 F 4.6721 7.8865 119.3273 58.1088 39.5455 176.0073 125 I 4.4673 7.6076 117.3762 59.3406 38.4197 177.1391 126 K 3.6626 8.3294 120.2311 57.5214 30.6357 178.2416 127 A 3.7490 8.9048 134.2542 56.1083 18.8915 178.8531 128 S 4.5957 8.7512 115.2620 58.6015 63.0005 173.9763 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 5 A 8.26 4.26 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 6 D 7.60 4.51 0.00 2.71 2.57 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 0.00 0.00 0.00 0.00 7 S 8.18 4.50 0.00 3.83 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 8 Q 8.30 4.33 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.50 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 9 I 8.45 4.32 2.05 0.00 0.00 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 1.42 0.77 0.68 0.00 0.00 10 Q 8.50 4.58 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 11 F 9.17 4.33 0.00 3.06 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 12 T 8.58 4.19 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 1.22 0.00 0.00 13 R 7.94 4.52 0.00 2.04 2.20 0.00 2.98 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 14 H 8.24 4.13 0.00 3.37 3.52 0.00 5.80 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 15 A 8.15 3.93 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 16 S 7.92 4.00 0.00 3.91 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 17 D 7.99 4.33 0.00 2.84 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 18 V 7.99 3.47 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.71 0.00 0.00 19 L 7.96 3.85 0.00 1.83 1.72 0.74 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.01 3.94 0.00 1.79 1.79 0.93 0.56 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 21 N 8.30 4.40 0.00 2.99 2.84 0.00 0.00 7.11 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 22 L 8.60 4.05 0.00 1.82 1.85 0.82 0.46 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 23 N 8.64 4.40 0.00 3.20 2.99 0.00 0.00 7.24 7.58 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 24 R 8.06 3.94 0.00 1.90 1.96 0.00 3.35 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 25 L 8.07 3.99 0.00 1.95 1.97 0.89 0.60 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 26 R 8.09 3.77 0.00 1.45 1.69 0.00 2.78 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.32 0.00 27 S 7.90 4.23 0.00 4.02 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.05 4.29 0.00 1.83 1.99 0.00 3.30 0.00 0.00 3.14 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 29 D 7.84 4.32 0.00 2.78 2.70 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 30 I 8.28 4.16 1.89 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 1.30 0.71 0.92 0.00 0.00 31 L 8.88 3.75 0.00 1.81 1.77 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.39 3.93 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 1.02 0.00 0.00 33 D 8.68 5.04 0.00 2.58 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 34 V 7.53 4.74 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 0.59 0.00 0.00 1.11 0.00 0.00 35 V 8.80 4.83 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 1.03 0.00 0.00 0.94 0.00 0.00 36 I 8.98 4.91 1.97 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 1.29 1.09 0.74 0.00 0.00 37 V 8.83 4.72 2.25 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 1.08 0.00 0.00 0.96 0.00 0.00 38 V 8.71 4.39 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 1.07 0.00 0.00 0.67 0.00 0.00 39 S 9.02 3.81 0.00 4.07 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 0.00 40 R 9.16 4.52 0.00 1.78 1.91 0.00 3.16 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 41 E 8.30 4.70 0.00 2.04 1.50 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 2.02 2.19 0.00 42 Q 7.76 4.94 0.00 1.70 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 43 F 9.37 4.91 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 44 R 8.84 4.90 0.00 1.67 1.82 0.00 3.21 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 45 A 8.62 4.55 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 46 H 9.08 5.17 0.00 3.21 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.21 3.47 0.00 1.45 1.28 0.00 1.31 0.00 0.00 0.99 0.00 0.00 2.65 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 1.08 7.81 48 T 7.80 3.83 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 49 V 7.63 3.42 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.72 0.00 0.00 50 L 7.86 3.98 0.00 1.87 1.37 0.38 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.33 4.42 0.00 2.24 2.26 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 3.11 2.97 0.00 52 A 8.21 4.27 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 53 C 7.66 4.74 0.00 3.11 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 54 S 8.35 4.88 0.00 4.06 4.22 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 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 56 L 7.47 3.78 0.00 1.51 1.14 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.99 4.27 0.00 3.41 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 58 Y 8.19 4.19 0.00 3.19 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 59 S 8.17 4.15 0.00 4.01 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.14 3.52 1.43 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.24 0.32 0.00 0.00 61 F 7.78 4.75 0.00 3.12 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 62 T 7.15 4.37 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 63 D 7.44 4.41 0.00 2.64 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 64 Q 8.61 4.14 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 65 L 8.78 4.24 0.00 1.68 1.77 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.15 4.57 0.00 2.02 1.81 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.32 7.81 67 R 8.09 4.20 0.00 1.80 2.04 0.00 3.00 0.00 0.00 3.89 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 68 N 7.93 5.03 0.00 2.72 2.77 0.00 0.00 6.92 7.85 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 69 L 8.10 4.19 0.00 1.98 1.74 0.96 0.99 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 70 S 8.67 4.89 0.00 3.88 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 71 V 7.79 4.94 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 0.95 0.00 0.00 72 I 8.84 4.72 2.09 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 1.51 1.30 1.02 0.00 0.00 73 N 8.80 5.26 0.00 2.62 2.77 0.00 0.00 7.13 7.85 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 74 L 8.67 4.40 0.00 1.45 1.59 0.73 1.29 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 75 D 8.76 4.30 0.00 2.69 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 0.00 0.00 0.00 76 P 0.00 4.37 0.00 2.18 2.17 0.00 3.78 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 1.96 1.95 0.00 77 E 8.08 4.05 0.00 2.13 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 2.26 2.26 0.00 78 I 7.53 3.87 1.75 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.88 0.00 0.00 79 N 8.49 4.71 0.00 2.75 2.70 0.00 0.00 7.19 7.71 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 80 P 0.00 4.49 0.00 2.42 2.44 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.47 0.00 81 E 8.37 4.10 0.00 2.09 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 0.00 2.41 2.42 0.00 82 G 9.62 3.67 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 0.00 0.00 0.00 83 F 8.49 3.99 0.00 3.10 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 84 N 8.38 3.91 0.00 3.04 3.02 0.00 0.00 7.28 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 85 I 7.82 3.77 1.96 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 0.46 0.93 0.00 0.00 86 L 7.74 4.10 0.00 1.57 1.71 1.04 0.43 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 87 L 7.67 3.81 0.00 1.01 1.43 1.10 1.27 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 88 D 8.06 4.42 0.00 2.80 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 89 F 8.14 4.43 0.00 3.27 3.35 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 90 M 8.05 3.60 0.00 1.76 2.24 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.57 0.00 91 Y 7.68 4.34 0.00 2.89 2.94 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 92 T 7.38 4.43 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 1.34 0.00 0.00 93 S 8.51 4.12 0.00 3.98 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 94 R 8.11 4.49 0.00 1.98 1.89 0.00 3.32 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 95 L 8.49 4.46 0.00 1.17 1.36 0.56 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.56 4.70 0.00 2.74 2.75 0.00 0.00 6.99 7.85 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 97 L 8.09 4.80 0.00 1.32 1.41 0.37 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.93 4.81 0.00 1.94 1.77 0.00 3.16 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 99 E 9.10 3.98 0.00 1.98 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 2.39 0.00 100 G 8.03 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 0.00 0.00 0.00 101 N 8.39 4.98 0.00 2.91 3.06 0.00 0.00 6.61 6.89 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 0.00 102 I 7.94 3.62 2.02 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 1.72 1.22 0.96 0.00 0.00 103 M 8.01 4.10 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 104 A 7.94 3.97 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 0.00 105 V 8.09 3.51 2.18 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 0.89 0.00 0.00 0.92 0.00 0.00 106 M 7.96 3.96 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 107 A 8.17 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.00 3.95 4.43 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 1.42 0.00 0.00 109 A 8.19 4.03 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 0.00 110 M 8.23 3.99 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 111 Y 7.81 4.18 0.00 2.87 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 0.00 112 L 8.32 3.96 0.00 1.80 1.68 1.19 0.96 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 0.00 113 Q 7.94 3.46 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 114 M 7.97 5.01 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.78 0.00 115 E 8.11 4.01 0.00 2.09 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 2.38 2.43 0.00 116 H 8.39 4.24 0.00 3.41 3.53 0.00 5.51 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.29 3.25 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.32 0.00 0.00 118 V 7.42 3.53 2.26 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 0.97 0.00 0.00 0.98 0.00 0.00 119 D 8.24 4.35 0.00 2.88 2.70 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 0.00 120 T 7.94 3.91 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 1.12 0.00 0.00 121 C 8.21 4.09 0.00 3.06 2.94 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 0.00 122 R 8.32 4.06 0.00 1.99 2.02 0.00 3.13 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 123 K 8.42 3.99 0.00 1.88 2.06 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.47 7.81 124 F 7.89 4.67 0.00 3.09 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 0.00 125 I 7.61 4.47 1.99 0.00 0.00 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 1.56 0.97 0.90 0.00 0.00 126 K 8.33 3.66 0.00 1.60 1.49 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.33 7.81 127 A 8.90 3.75 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 0.00 128 S 8.75 4.60 0.00 3.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00