NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4487 8.3049 120.3349 55.3324 32.4952 172.3687 2 K 4.4043 8.0733 121.1358 54.7811 33.7881 173.7314 3 L 5.1185 9.1105 126.1802 52.7783 45.1780 175.0524 4 L 5.0503 8.8669 124.4267 53.2095 45.2516 175.0275 5 V 4.6892 9.2503 126.6532 61.0577 34.1394 174.1533 6 V 4.8432 8.9018 128.2898 61.3776 33.6039 173.7718 7 D 4.8427 8.6108 125.8294 53.4409 45.2523 175.4294 8 D 4.5271 8.8772 124.0122 53.8180 40.0678 175.1833 9 S 4.8067 8.3018 116.4002 56.9978 63.5773 174.5210 10 S 4.1309 8.5598 125.9116 61.6715 62.9897 176.3987 11 T 3.9417 7.8382 113.0292 64.5350 68.6393 176.2743 12 M 4.0194 8.0552 121.1037 58.6068 32.3403 178.1238 13 R 3.9207 8.1960 118.4534 59.4649 30.2053 178.9096 14 R 3.8817 8.0103 118.1721 59.4810 30.1335 178.4899 15 I 3.7369 7.7556 118.3985 64.1292 38.0225 177.9438 16 I 3.7065 7.9884 120.7984 64.0884 36.8762 178.3017 17 K 3.8708 8.0935 120.4596 59.6242 32.0853 178.2450 18 N 4.3174 8.3032 117.3143 57.0173 38.7860 177.0077 19 T 3.8634 8.0210 116.9877 66.5185 68.5807 176.5312 20 L 3.9702 8.3848 121.2672 58.1197 41.6495 179.3629 21 S 4.3471 8.4267 113.0993 61.9551 62.0345 176.6814 22 R 3.9781 7.9130 118.8286 58.5383 29.9796 177.9950 23 L 4.4953 7.9353 117.4838 54.4864 41.5819 177.7352 24 G 3.8144 8.2553 107.4490 45.7235 0.0000 173.2848 25 Y 4.5550 7.9973 117.8014 56.3765 38.0656 175.1458 26 E 4.4779 8.7256 124.5134 56.8428 31.5218 176.6572 27 D 4.6964 7.8227 120.1104 52.4743 40.1187 173.2053 28 V 4.6965 7.7745 119.6830 60.4890 33.7312 174.0153 29 L 4.6130 9.2292 130.8097 53.9397 43.8216 175.0941 30 E 5.3300 8.6751 123.7258 54.9508 32.4492 174.6548 31 A 4.8614 8.7300 122.0485 51.0955 22.8015 176.6639 32 E 4.5149 8.9788 117.1198 56.5444 31.7411 177.0271 33 H 5.1530 7.7189 113.6333 52.7933 34.3677 174.2444 34 G 3.7845 8.4866 109.0985 48.1343 0.0000 176.3965 35 V 3.7124 8.1450 120.5462 65.9975 31.6172 177.8571 36 E 3.9352 8.2393 118.4192 58.9174 29.5253 178.4119 37 A 3.9320 8.1230 120.9921 54.9053 18.5075 179.3418 38 W 4.1259 8.7016 127.2590 60.6801 30.7645 177.7382 39 E 3.7469 8.4942 119.4320 58.9843 29.0141 179.0686 40 K 3.8385 8.0139 118.5578 59.2723 31.9354 179.1000 41 L 3.5865 7.5753 118.2607 57.8830 41.5491 178.8912 42 D 4.0851 7.3611 116.2355 56.9593 41.1406 177.6072 43 A 4.3395 7.7738 119.5847 52.8258 20.4531 177.3016 44 N 4.8588 8.0082 114.4124 51.5289 38.9750 174.8028 45 A 4.7008 8.0620 122.3388 53.9045 19.3316 178.6786 46 D 4.5895 8.0371 113.9995 54.6374 39.7726 176.9524 47 T 3.9602 7.5307 117.2828 64.4207 68.9468 173.7137 48 K 4.5030 9.1753 124.6149 57.2651 34.4114 177.2449 49 V 4.4836 7.4471 119.2953 61.0630 35.0790 173.6961 50 L 4.8828 8.6894 130.2504 53.6436 44.0697 174.8732 51 I 4.9826 9.0579 127.2906 59.8077 39.9081 174.5150 52 T 5.0590 8.9578 121.3882 60.2229 71.4480 173.8317 53 A 4.9998 8.7330 129.2768 51.3323 20.5762 175.7875 54 W 4.3829 8.8789 122.8276 59.4049 33.0764 176.0093 55 N 4.8832 8.3832 119.7286 53.4766 38.0899 174.5278 56 M 5.0460 8.0118 117.2056 54.5193 33.4220 172.9138 57 P 4.4371 0.0000 0.0000 63.0189 32.4901 175.2543 58 E 3.5679 9.6323 115.3349 57.7001 26.7884 174.7250 59 M 3.4114 8.1743 117.8846 56.0765 32.3296 175.3764 60 N 5.1036 8.6211 123.8439 52.6548 39.8245 175.9533 61 G 3.8191 9.2919 109.3675 46.7033 0.0000 175.7687 62 L 3.3930 7.2697 122.2217 58.3085 41.9126 178.7992 63 D 4.2343 8.6443 118.9754 56.9525 40.6466 178.2586 64 L 3.8922 8.1342 121.3865 58.2907 41.9296 179.3700 65 V 3.5026 8.0115 118.0456 66.0337 31.6217 177.9059 66 K 3.8096 8.0412 118.3428 59.5284 31.6464 179.1948 67 K 3.7372 7.9489 118.9475 59.1509 32.3587 178.8128 68 V 4.0947 7.9803 118.6743 66.3995 31.3477 178.1709 69 R 4.0289 8.0429 116.4729 59.5146 29.9631 178.8412 70 S 4.3128 7.8630 113.2025 59.3364 63.4408 173.9384 71 D 4.6328 7.6442 122.7934 53.1698 41.6725 176.9822 72 S 4.1221 8.8346 121.3425 60.7624 62.4111 174.6715 73 R 4.2891 8.0581 114.6057 55.9501 29.1964 176.3268 74 F 5.2487 7.8839 117.1299 57.5563 40.3179 177.3371 75 K 3.8667 8.4723 122.9687 59.0663 31.9565 177.8645 76 E 4.4276 7.9931 115.0229 55.8436 30.2216 175.6929 77 I 3.7680 7.2364 120.3144 60.8053 38.6520 173.8679 78 P 4.3872 0.0000 0.0000 63.0534 32.6708 175.1403 79 I 4.9273 8.4440 124.4393 59.6394 40.3932 174.2762 80 I 4.7895 8.4325 128.7520 59.7759 39.2782 174.4277 81 M 4.7589 8.7153 128.0189 54.3408 33.9882 174.7081 82 I 4.8265 8.7602 127.4098 60.0086 39.8166 174.4568 83 T 5.0571 8.5223 121.4440 60.5769 70.7871 174.8105 84 T 3.9683 8.6612 115.7199 63.6763 69.3618 175.8060 85 E 4.2372 8.0221 123.1319 56.8930 26.5432 176.7685 86 G 3.8499 8.1565 110.1003 46.7612 0.0000 172.7488 87 G 3.7547 7.7895 107.3585 44.4726 0.0000 174.7800 88 K 3.9697 8.5757 122.0653 58.8476 32.1813 179.4164 89 A 3.9390 8.0918 120.8744 55.5410 18.1931 179.3889 90 E 4.2869 8.0808 116.2720 59.2319 29.7193 179.3588 91 V 2.7803 7.5640 118.3308 65.8239 31.5738 177.9014 92 I 3.6619 8.5065 120.5700 64.9069 36.7418 178.2244 93 T 3.9299 8.4682 116.4571 66.9791 68.2716 176.3997 94 A 3.9751 8.2665 122.2816 54.9623 18.6025 179.6999 95 L 4.2190 7.9907 118.9172 57.3738 41.4476 179.7345 96 K 3.9343 7.9930 117.3784 59.4431 32.0759 178.7439 97 A 4.2196 7.3348 118.1848 52.7151 18.5478 177.4398 98 G 3.7424 7.3459 104.0380 45.0643 0.0000 174.5068 99 V 3.7055 8.3636 122.2666 63.0872 31.9616 176.0416 100 N 4.7959 9.0923 124.4287 54.3273 40.2336 175.2855 101 N 5.1596 8.0076 114.6168 51.5193 43.3704 172.8933 102 Y 5.1800 8.7744 123.1219 55.9342 41.5859 174.3315 103 I 4.6254 8.6104 127.5272 59.5142 40.2378 174.5602 104 V 4.8223 8.4818 126.6996 61.2652 32.6623 175.6323 105 K 4.2115 9.3280 128.4976 55.6756 32.8292 175.1313 106 P 4.2449 0.0000 0.0000 61.4256 33.1940 174.6592 107 F 5.0050 7.0653 112.1540 54.0993 40.7982 175.0662 108 T 4.1637 8.4684 113.0538 61.2364 70.7747 173.4339 109 P 4.2927 0.0000 0.0000 66.1836 31.4090 178.7662 110 Q 4.0205 8.0437 117.6829 58.8986 29.0349 178.1118 111 V 3.6172 7.7732 119.5789 65.7517 31.4882 177.7668 112 L 3.5147 8.0608 120.2683 57.6167 41.8030 178.8356 113 K 3.8410 7.8633 119.2295 59.5273 32.1428 178.2978 114 E 3.9481 7.8745 118.2221 59.7442 29.2119 179.7678 115 K 3.9429 8.1086 118.1001 59.4242 32.0665 179.4883 116 L 4.0430 8.1767 119.6145 57.2698 41.4715 178.7925 117 E 3.9003 8.2342 119.4781 59.4038 29.3149 178.8092 118 V 3.5617 7.6222 116.8252 66.3887 31.5479 177.8188 119 V 3.8236 7.2835 114.7713 64.9049 31.5730 176.9631 120 L 4.7119 8.3872 115.8055 54.7076 43.9118 178.6689 121 G 3.7512 8.4843 108.2202 46.5778 0.0000 172.5621 122 T 4.7699 8.3121 110.9750 59.9504 71.4417 174.1149 123 N 4.2601 8.3592 119.9989 53.6812 39.0778 173.8731 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 4.45 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 2 K 8.07 4.40 0.00 1.80 1.74 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.67 1.56 7.81 3 L 9.11 5.12 0.00 1.52 1.46 0.56 0.28 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 4 L 8.87 5.05 0.00 1.61 1.38 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.25 4.69 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 0.87 0.00 0.00 0.88 0.00 0.00 6 V 8.90 4.84 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 0.97 0.00 0.00 0.90 0.00 0.00 7 D 8.61 4.84 0.00 2.75 2.43 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 8 D 8.88 4.53 0.00 2.87 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 9 S 8.30 4.81 0.00 3.89 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 10 S 8.56 4.13 0.00 4.08 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 11 T 7.84 3.94 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 1.21 0.00 0.00 12 M 8.06 4.02 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.81 0.00 13 R 8.20 3.92 0.00 2.04 2.28 0.00 3.23 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 14 R 8.01 3.88 0.00 1.90 2.05 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 15 I 7.76 3.74 1.95 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.27 1.18 0.00 0.00 16 I 7.99 3.71 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.87 0.00 0.00 17 K 8.09 3.87 0.00 1.89 1.85 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 18 N 8.30 4.32 0.00 2.87 2.82 0.00 0.00 7.31 6.73 0.00 0.00 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 T 8.02 3.86 4.39 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 1.16 0.00 0.00 20 L 8.38 3.97 0.00 1.80 1.89 0.83 0.53 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 21 S 8.43 4.35 0.00 3.92 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 22 R 7.91 3.98 0.00 2.02 1.99 0.00 3.22 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 23 L 7.94 4.50 0.00 2.10 1.87 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.26 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 0.00 0.00 0.00 25 Y 8.00 4.56 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 26 E 8.73 4.48 0.00 1.95 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 2.23 2.21 0.00 27 D 7.82 4.70 0.00 2.75 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 28 V 7.77 4.70 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 0.82 0.00 0.00 0.93 0.00 0.00 29 L 9.23 4.61 0.00 1.74 1.45 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.68 5.33 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 31 A 8.73 4.86 1.18 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 32 E 8.98 4.51 0.00 2.04 1.67 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 2.19 2.17 0.00 33 H 7.72 5.15 0.00 3.19 3.45 0.00 5.83 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 34 G 8.49 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 0.00 0.00 0.00 35 V 8.15 3.71 2.14 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 1.15 0.00 0.00 0.99 0.00 0.00 36 E 8.24 3.94 0.00 2.11 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 0.00 2.37 2.38 0.00 37 A 8.12 3.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 8.70 4.13 0.00 3.46 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 39 E 8.49 3.75 0.00 2.14 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 0.00 2.28 2.50 0.00 40 K 8.01 3.84 0.00 1.94 1.73 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.52 7.81 41 L 7.58 3.59 0.00 0.97 0.70 0.74 0.56 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 42 D 7.36 4.09 0.00 1.58 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 0.00 0.00 0.00 0.00 43 A 7.77 4.34 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 44 N 8.01 4.86 0.00 2.75 2.67 0.00 0.00 6.72 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 45 A 8.06 4.70 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 46 D 8.04 4.59 0.00 2.82 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 47 T 7.53 3.96 4.13 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 1.18 0.00 0.00 48 K 9.18 4.50 0.00 1.72 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.56 7.81 49 V 7.45 4.48 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 0.93 0.00 0.00 0.88 0.00 0.00 50 L 8.69 4.88 0.00 1.71 1.44 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 51 I 9.06 4.98 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.67 0.85 0.00 0.00 52 T 8.96 5.06 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 1.14 0.00 0.00 53 A 8.73 5.00 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 54 W 8.88 4.38 0.00 3.44 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 55 N 8.38 4.88 0.00 2.77 2.79 0.00 0.00 6.73 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 M 8.01 5.05 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 57 P 0.00 4.44 0.00 1.98 2.03 0.00 4.03 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 2.08 2.14 0.00 58 E 9.63 3.57 0.00 2.10 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 2.26 2.18 0.00 59 M 8.17 3.41 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 60 N 8.62 5.10 0.00 3.51 3.11 0.00 0.00 6.11 6.93 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 61 G 9.29 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.27 3.39 0.00 0.51 1.62 0.25 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.64 4.23 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.89 0.00 1.74 1.72 1.08 0.84 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 65 V 8.01 3.50 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 1.00 0.00 0.00 0.86 0.00 0.00 66 K 8.04 3.81 0.00 1.75 1.79 0.00 1.65 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.54 7.81 67 K 7.95 3.74 0.00 1.53 1.80 0.00 1.19 0.00 0.00 1.25 0.00 0.00 2.28 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.46 0.28 7.81 68 V 7.98 4.09 2.24 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 1.04 0.00 0.00 1.15 0.00 0.00 69 R 8.04 4.03 0.00 1.81 2.01 0.00 3.40 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.03 0.00 70 S 7.86 4.31 0.00 4.04 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 71 D 7.64 4.63 0.00 3.17 3.05 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 72 S 8.83 4.12 0.00 3.85 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 73 R 8.06 4.29 0.00 1.49 1.73 0.00 2.85 0.00 0.00 3.11 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.52 0.00 74 F 7.88 5.25 0.00 3.44 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 75 K 8.47 3.87 0.00 1.77 1.90 0.00 2.05 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.41 7.81 76 E 7.99 4.43 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 77 I 7.24 3.77 2.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.91 0.99 0.00 0.00 78 P 0.00 4.39 0.00 2.09 1.97 0.00 3.89 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 79 I 8.44 4.93 2.00 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 1.32 0.89 0.87 0.00 0.00 80 I 8.43 4.79 1.80 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 1.07 0.74 0.85 0.00 0.00 81 M 8.72 4.76 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.23 0.00 82 I 8.76 4.83 1.91 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 1.05 0.47 1.15 0.00 0.00 83 T 8.52 5.06 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 0.96 0.00 0.00 84 T 8.66 3.97 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 1.15 0.00 0.00 85 E 8.02 4.24 0.00 2.12 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.47 0.00 86 G 8.16 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 0.00 0.00 0.00 87 G 7.79 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 88 K 8.58 3.97 0.00 1.75 1.83 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.42 7.81 89 A 8.09 3.94 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 90 E 8.08 4.29 0.00 2.28 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 0.00 2.01 1.94 0.00 91 V 7.56 2.78 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 0.67 0.00 0.00 0.21 0.00 0.00 92 I 8.51 3.66 2.09 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 0.71 0.92 0.00 0.00 93 T 8.47 3.93 4.80 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 1.38 0.00 0.00 94 A 8.27 3.98 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.99 4.22 0.00 1.71 1.73 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.99 3.93 0.00 1.96 1.88 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.61 7.81 97 A 7.33 4.22 1.21 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 0.00 0.00 0.00 98 G 7.35 3.74 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 0.00 0.00 0.00 99 V 8.36 3.71 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 1.08 0.00 0.00 0.92 0.00 0.00 100 N 9.09 4.80 0.00 2.60 2.86 0.00 0.00 6.80 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 0.00 101 N 8.01 5.16 0.00 2.58 2.66 0.00 0.00 6.56 7.48 0.00 0.00 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 Y 8.77 5.18 0.00 2.91 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 0.00 103 I 8.61 4.63 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 1.09 0.58 0.83 0.00 0.00 104 V 8.48 4.82 2.22 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 0.89 0.00 0.00 1.23 0.00 0.00 105 K 9.33 4.21 0.00 1.65 1.47 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.84 1.44 7.81 106 P 0.00 4.24 0.00 2.00 1.86 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 107 F 7.07 5.00 0.00 3.03 3.02 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 0.00 108 T 8.47 4.16 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 1.25 0.00 0.00 109 P 0.00 4.29 0.00 2.21 2.20 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 110 Q 8.04 4.02 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 111 V 7.77 3.62 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 0.99 0.00 0.00 0.97 0.00 0.00 112 L 8.06 3.51 0.00 1.23 1.59 -0.11 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.86 3.84 0.00 1.89 1.92 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 114 E 7.87 3.95 0.00 2.21 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 2.33 2.52 0.00 115 K 8.11 3.94 0.00 1.76 1.78 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.46 7.81 116 L 8.18 4.04 0.00 1.69 1.62 0.78 0.94 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 0.00 117 E 8.23 3.90 0.00 2.18 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 0.00 2.32 2.35 0.00 118 V 7.62 3.56 2.24 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 0.86 0.00 0.00 0.99 0.00 0.00 119 V 7.28 3.82 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 0.86 0.00 0.00 0.98 0.00 0.00 120 L 8.39 4.71 0.00 1.67 1.69 0.43 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.48 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 0.00 122 T 8.31 4.77 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 1.26 0.00 0.00 123 N 8.36 4.26 0.00 1.44 1.78 0.00 0.00 7.01 7.97 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