NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.9229 8.1576 120.0804 57.0225 34.8645 174.1219 2 V 4.8095 8.4896 121.0529 59.0836 34.7541 172.6386 3 L 4.6789 8.8049 125.1171 53.2334 45.1689 176.3078 4 F 4.5990 8.9973 126.3074 56.0930 40.3286 175.0347 5 V 5.5302 8.4547 124.2215 59.2977 34.2251 174.8003 6 C 4.8640 8.2066 117.4729 57.4720 33.3138 173.0671 7 I 4.0806 8.7117 120.6501 64.1577 35.9832 177.5156 8 H 4.4013 8.9238 125.8769 56.6263 30.0102 175.4538 9 N 4.1995 8.0246 116.3252 53.7952 36.7806 172.8486 10 T 4.4621 7.4323 113.4846 63.0160 72.5392 174.6352 11 A 4.7249 7.4727 120.1021 51.8726 21.8205 177.7000 12 R 3.9138 8.6691 114.3476 58.5863 30.6868 178.5156 13 S 4.1206 8.1294 113.9232 61.9011 62.8070 177.0128 14 V 3.5842 7.7086 120.0772 66.0643 31.3331 177.6846 15 M 3.9590 8.5991 118.5486 58.4479 31.8065 178.3087 16 A 3.7885 7.9767 120.8720 55.2682 18.2714 179.0094 17 E 3.6140 7.4574 117.1420 59.3664 29.5970 178.6935 18 A 4.0387 7.7960 120.1569 55.4427 18.3122 179.6925 19 L 3.9607 8.0199 117.2518 57.6855 41.7053 179.2262 20 F 4.0567 8.4657 120.8957 61.6808 39.1804 176.8550 21 N 4.6741 8.5086 114.5136 56.4254 38.4939 176.7132 22 A 4.2432 7.7980 120.0037 53.7889 18.6518 177.7034 23 M 4.3667 7.3055 114.0343 55.6316 34.3727 176.5432 24 A 4.1147 8.0662 121.6553 51.6003 19.3989 176.8730 25 K 4.2495 8.7293 124.2863 58.6300 33.0401 177.8721 26 S 4.5145 8.1278 111.2206 60.1096 63.9478 174.9007 27 W 4.4078 8.3679 119.1782 56.2806 29.7070 174.8056 28 K 5.1915 8.7173 119.0111 54.8822 35.9767 174.3938 29 A 5.2682 8.5308 120.7224 51.1437 22.4374 174.9341 30 E 5.4334 9.2977 117.8583 54.3594 34.8581 174.2669 31 S 5.2296 8.4439 113.6287 57.4696 66.5061 172.7178 32 A 5.3365 7.9618 120.6780 52.0285 22.6725 175.2976 33 G 4.8830 8.3873 105.0808 43.5132 0.0000 173.9905 34 V 3.9667 8.6728 121.0564 64.8854 32.0433 175.9026 35 E 4.9194 7.9442 119.0452 53.4284 32.8686 175.6702 36 K 4.0596 8.7164 123.3941 57.3541 33.1691 176.1579 37 A 4.6611 8.0081 122.3942 51.1269 22.2527 176.3157 38 E 4.1484 9.0432 123.0366 58.6261 29.9751 177.4765 39 R 4.6930 7.5496 112.4538 53.8705 32.2565 175.1313 40 V 3.8586 8.0994 119.3215 61.8857 32.7034 175.3300 41 D 4.4231 8.5774 125.5021 55.2274 41.8309 177.6320 42 E 4.0459 8.7723 125.1513 59.6103 29.4905 179.5981 43 T 3.7121 8.2166 116.2046 66.2514 68.3126 176.9446 44 V 3.6463 7.7813 119.9482 65.9740 31.8357 178.1280 45 K 4.1381 7.9846 118.3656 59.7417 32.2070 179.1189 46 R 3.8184 7.8779 119.7853 59.4549 28.6233 178.3758 47 L 4.0293 8.1855 119.1386 57.8109 41.5509 179.6320 48 L 4.2764 8.6509 119.0305 57.5988 41.8207 179.2782 49 A 4.3444 8.0534 121.9150 54.2877 18.0445 179.0310 50 E 3.9832 8.1910 117.3117 58.1643 29.9030 177.2217 51 R 4.4194 7.2200 116.7090 55.6093 30.2330 175.3864 52 G 3.8941 7.8383 102.9019 46.9944 0.0000 173.9726 53 L 4.7718 8.4261 118.6731 52.3241 44.9336 176.0417 54 K 4.5403 8.5185 121.9560 54.5874 33.2910 176.6170 55 A 4.3053 8.3222 126.9744 50.9490 19.4093 176.4785 56 K 4.1576 8.2506 120.2364 56.4541 32.8824 176.6089 57 E 4.1858 8.8712 125.1963 58.9016 29.6303 177.7359 58 K 4.6211 7.5707 114.7806 54.2860 35.4459 173.7307 59 P 4.5311 0.0000 0.0000 63.1676 32.1525 175.5965 60 R 4.6233 8.8676 120.7510 54.3435 31.7788 175.6747 61 T 4.5480 8.6954 120.9763 63.2561 69.4525 175.8461 62 V 3.7861 9.4892 124.5905 63.5676 31.6479 177.0252 63 D 4.4254 8.0078 120.9480 57.2716 41.3382 176.8831 64 E 4.4326 7.9364 115.7493 56.2502 29.2098 176.2736 65 V 4.3346 7.3518 118.5805 61.1389 34.4280 175.0608 66 N 4.6997 8.7586 124.8974 52.0335 37.9444 175.2971 67 L 4.2036 8.7688 124.7410 58.1488 41.8662 179.8803 68 D 4.4841 8.2702 116.2175 57.1067 40.9277 177.6428 69 D 4.2310 7.8238 118.2349 56.8107 40.8259 177.0018 70 F 4.4660 7.9375 116.7353 57.1070 39.8168 174.9183 71 D 4.9527 8.3304 119.6012 53.7830 42.5172 176.3902 72 L 4.2703 7.7535 116.9057 54.6732 44.8465 172.9893 73 I 4.3292 8.3575 129.6561 59.1888 39.3914 174.5878 74 V 3.8051 7.6072 130.7362 61.0864 33.0818 175.1591 75 T 4.5235 8.3568 122.4038 61.7859 70.3863 174.1855 76 V 4.3655 8.3779 128.3556 62.3806 31.3287 175.0129 77 C 4.6876 8.8927 125.7596 56.0555 40.7489 173.9132 78 E 4.6561 8.3221 119.3651 55.4892 31.2329 176.8619 79 E 4.1784 8.7272 119.3494 60.0250 30.0778 178.5271 80 S 4.6844 7.2241 110.0947 55.9223 63.7338 176.4405 81 S 4.6425 7.4298 110.0872 58.9962 64.0250 174.6447 82 C 4.4440 8.0979 123.6446 56.4407 44.1978 173.2855 83 V 3.9448 8.2864 127.7195 61.3124 31.9516 175.7543 84 V 4.2824 8.1130 122.3261 60.0913 33.1966 175.1201 85 L 4.7310 7.9802 121.6429 52.2879 44.4889 175.6656 86 P 4.6269 0.0000 0.0000 61.8591 29.1911 175.7485 87 T 4.4794 7.1334 113.5627 61.9191 70.6084 172.7148 88 D 4.6151 8.7334 127.0366 54.8621 40.7400 176.3840 89 K 4.3372 7.4442 120.1502 54.9274 33.1002 174.4517 90 P 4.7068 0.0000 0.0000 62.7118 32.5107 175.7951 91 V 5.3535 8.1028 122.4248 60.3307 34.5578 174.3510 92 T 4.6443 8.3041 119.9879 61.9626 72.1379 173.0515 93 R 5.0426 8.3728 120.0219 54.5944 33.9189 175.0718 94 W 4.8883 9.2590 124.3190 55.2516 31.9034 174.8244 95 H 5.1347 9.0503 123.2268 55.2238 28.4180 174.7375 96 I 4.6095 8.1554 123.9815 58.7202 39.9418 175.7697 97 E 3.7434 9.0211 127.2301 56.6126 29.7851 175.8314 98 N 4.4971 8.6248 124.9560 52.3459 38.4233 172.8951 99 P 3.9952 0.0000 0.0000 64.4420 31.7510 176.1124 100 A 4.1877 6.8182 120.9690 53.4160 18.6967 176.0868 101 G 4.4567 9.4948 115.2731 45.9341 0.0000 175.4717 102 K 3.8137 7.5262 117.8031 57.7104 33.4249 179.1434 103 D 4.2455 8.5614 115.9054 53.8519 43.2671 176.5690 104 E 3.8332 8.7874 113.9783 57.3393 30.6273 176.9004 105 G 3.8865 8.5024 104.3410 46.7523 0.0000 174.9255 106 T 3.8914 8.1801 117.1639 67.0983 67.7628 175.4940 107 Y 3.8102 7.9724 118.1578 61.2441 37.9273 178.9798 108 R 4.0088 8.1468 118.3388 59.2521 30.2356 178.9105 109 R 3.8766 8.0493 118.4960 59.4601 30.0994 178.7518 110 V 3.5512 8.0268 118.3842 65.7421 31.5025 177.6373 111 L 3.9213 8.3579 120.3152 58.0967 41.8950 178.7379 112 A 3.9794 8.3409 120.9699 55.2968 18.2865 179.3831 113 E 3.8360 8.0359 116.8310 59.7626 29.5893 179.6608 114 I 3.6902 7.7650 119.7010 64.3716 37.0402 178.1769 115 E 3.9394 8.1812 120.1733 59.2121 29.3723 178.4546 116 E 3.8515 8.5128 119.8419 59.2457 29.5818 179.0216 117 R 3.6331 7.9702 118.2504 58.7309 30.0806 179.1183 118 V 3.9055 8.1501 118.4877 65.8072 31.3695 177.7095 119 K 3.7353 7.9079 118.3636 59.5323 32.3029 178.1780 120 K 4.0120 7.6789 119.5278 59.5464 32.1183 178.4398 121 L 4.0814 8.3017 120.9701 58.0655 41.7180 178.5755 122 V 3.8605 7.9457 114.6423 63.5615 31.1066 177.0227 123 G 3.6828 7.7934 108.2056 48.0238 0.0000 173.8348 124 E 4.1511 7.7933 124.5592 56.4177 29.9079 174.3632 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 K 8.16 4.92 0.00 2.06 2.05 0.00 1.36 0.00 0.00 1.70 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.33 7.81 2 V 8.49 4.81 1.87 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 -0.26 0.00 0.00 0.18 0.00 0.00 3 L 8.80 4.68 0.00 0.49 0.90 0.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 4 F 9.00 4.60 0.00 2.95 2.85 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 5 V 8.45 5.53 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 0.61 0.00 0.00 0.89 0.00 0.00 6 C 8.21 4.86 0.00 2.98 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 7 I 8.71 4.08 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 1.39 0.69 0.91 0.00 0.00 8 H 8.92 4.40 0.00 3.25 3.41 0.00 5.69 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 9 N 8.02 4.20 0.00 2.86 2.81 0.00 0.00 7.11 7.70 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 10 T 7.43 4.46 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 1.23 0.00 0.00 11 A 7.47 4.72 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 12 R 8.67 3.91 0.00 1.88 2.06 0.00 3.17 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 13 S 8.13 4.12 0.00 3.86 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 14 V 7.71 3.58 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 1.09 0.00 0.00 0.96 0.00 0.00 15 M 8.60 3.96 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 16 A 7.98 3.79 0.57 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 0.00 0.00 17 E 7.46 3.61 0.00 1.94 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 2.41 0.00 18 A 7.80 4.04 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 19 L 8.02 3.96 0.00 1.72 1.74 0.92 0.74 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 F 8.47 4.06 0.00 3.40 3.34 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 21 N 8.51 4.67 0.00 2.86 3.00 0.00 0.00 7.14 6.97 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 22 A 7.80 4.24 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 23 M 7.31 4.37 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.39 0.00 24 A 8.07 4.11 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 25 K 8.73 4.25 0.00 1.75 1.88 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.39 7.81 26 S 8.13 4.51 0.00 4.07 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 0.00 27 W 8.37 4.41 0.00 3.53 3.64 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 28 K 8.72 5.19 0.00 1.77 1.82 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.52 7.81 29 A 8.53 5.27 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 30 E 9.30 5.43 0.00 2.14 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 2.36 2.33 0.00 31 S 8.44 5.23 0.00 3.88 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 32 A 7.96 5.34 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 33 G 8.39 4.88 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 0.00 0.00 0.00 34 V 8.67 3.97 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 0.72 0.00 0.00 nan 0.00 0.00 35 E 7.94 4.92 0.00 1.96 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 2.18 2.28 0.00 36 K 8.72 4.06 0.00 1.89 1.82 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.52 7.81 37 A 8.01 4.66 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 38 E 9.04 4.15 0.00 1.98 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 0.00 2.32 2.24 0.00 39 R 7.55 4.69 0.00 1.85 1.86 0.00 3.08 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 40 V 8.10 3.86 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 0.88 0.00 0.00 0.97 0.00 0.00 41 D 8.58 4.42 0.00 2.93 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 42 E 8.77 4.05 0.00 1.96 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 0.00 2.38 2.31 0.00 43 T 8.22 3.71 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 0.59 0.00 0.00 44 V 7.78 3.65 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 1.14 0.00 0.00 1.15 0.00 0.00 45 K 7.98 4.14 0.00 2.05 2.06 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.69 1.49 7.81 46 R 7.88 3.82 0.00 1.96 2.16 0.00 3.05 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 1.60 1.64 0.00 47 L 8.19 4.03 0.00 2.06 1.74 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.65 4.28 0.00 1.65 1.82 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.05 4.34 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 50 E 8.19 3.98 0.00 2.13 2.20 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 2.32 2.24 0.00 51 R 7.22 4.42 0.00 1.88 2.01 0.00 3.41 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 52 G 7.84 3.89 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 0.00 53 L 8.43 4.77 0.00 1.65 1.53 0.93 0.96 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 54 K 8.52 4.54 0.00 1.73 1.75 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.48 7.81 55 A 8.32 4.31 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 56 K 8.25 4.16 0.00 1.74 1.73 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.66 1.48 7.81 57 E 8.87 4.19 0.00 1.99 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 2.33 2.38 0.00 58 K 7.57 4.62 0.00 1.81 1.73 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.47 7.81 59 P 0.00 4.53 0.00 2.13 2.29 0.00 3.62 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 2.12 2.12 0.00 60 R 8.87 4.62 0.00 1.87 2.04 0.00 2.81 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 61 T 8.70 4.55 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 1.33 0.00 0.00 62 V 9.49 3.79 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 0.67 0.00 0.00 0.86 0.00 0.00 63 D 8.01 4.43 0.00 2.73 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 64 E 7.94 4.43 0.00 2.02 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 2.35 2.25 0.00 65 V 7.35 4.33 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 1.02 0.00 0.00 0.98 0.00 0.00 66 N 8.76 4.70 0.00 2.89 2.79 0.00 0.00 7.11 6.74 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 67 L 8.77 4.20 0.00 1.74 1.80 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.27 4.48 0.00 2.66 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 69 D 7.82 4.23 0.00 2.08 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 0.00 0.00 0.00 0.00 70 F 7.94 4.47 0.00 3.02 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 71 D 8.33 4.95 0.00 2.47 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 72 L 7.75 4.27 0.00 1.82 1.65 0.65 0.88 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 73 I 8.36 4.33 1.67 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.51 0.86 0.00 0.00 74 V 7.61 3.81 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 -0.58 0.00 0.00 -0.70 0.00 0.00 75 T 8.36 4.52 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 1.19 0.00 0.00 76 V 8.38 4.37 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 0.83 0.00 0.00 1.02 0.00 0.00 77 C 8.89 4.69 0.00 2.89 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 78 E 8.32 4.66 0.00 2.02 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 2.39 2.24 0.00 79 E 8.73 4.18 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 2.27 2.29 0.00 80 S 7.22 4.68 0.00 3.94 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 81 S 7.43 4.64 0.00 3.95 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 82 C 8.10 4.44 0.00 2.99 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 83 V 8.29 3.94 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 0.77 0.00 0.00 0.91 0.00 0.00 84 V 8.11 4.28 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 0.76 0.00 0.00 0.91 0.00 0.00 85 L 7.98 4.73 0.00 1.56 1.56 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.63 0.00 2.17 2.09 0.00 3.76 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 1.98 1.94 0.00 87 T 7.13 4.48 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 1.19 0.00 0.00 88 D 8.73 4.62 0.00 2.69 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 89 K 7.44 4.34 0.00 1.71 1.78 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.55 7.81 90 P 0.00 4.71 0.00 2.13 2.20 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 91 V 8.10 5.35 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 0.87 0.00 0.00 0.85 0.00 0.00 92 T 8.30 4.64 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 1.35 0.00 0.00 93 R 8.37 5.04 0.00 1.63 1.70 0.00 3.16 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 94 W 9.26 4.89 0.00 3.15 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 95 H 9.05 5.13 0.00 3.09 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.16 4.61 1.96 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.94 0.94 0.00 0.00 97 E 9.02 3.74 0.00 1.91 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 2.25 2.29 0.00 98 N 8.62 4.50 0.00 2.70 2.71 0.00 0.00 7.17 7.69 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 99 P 0.00 4.00 0.00 0.49 1.71 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 100 A 6.82 4.19 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 0.00 101 G 9.49 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.53 3.81 0.00 1.99 1.97 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.54 7.81 103 D 8.56 4.25 0.00 3.11 1.62 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 0.00 0.00 0.00 0.00 104 E 8.79 3.83 0.00 2.21 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 0.00 2.49 2.47 0.00 105 G 8.50 3.89 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 0.00 106 T 8.18 3.89 4.48 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 0.00 0.00 0.00 1.16 0.00 0.00 107 Y 7.97 3.81 0.00 3.05 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 0.00 108 R 8.15 4.01 0.00 2.09 2.01 0.00 3.15 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 109 R 8.05 3.88 0.00 1.87 2.11 0.00 3.24 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 110 V 8.03 3.55 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 0.88 0.00 0.00 0.93 0.00 0.00 111 L 8.36 3.92 0.00 1.87 1.91 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.34 3.98 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 0.00 113 E 8.04 3.84 0.00 2.16 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 2.28 2.32 0.00 114 I 7.77 3.69 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 1.52 0.77 1.03 0.00 0.00 115 E 8.18 3.94 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 2.28 2.30 0.00 116 E 8.51 3.85 0.00 1.97 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 2.21 2.28 0.00 117 R 7.97 3.63 0.00 1.26 0.66 0.00 2.85 0.00 0.00 2.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.46 0.00 118 V 8.15 3.91 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 1.15 0.00 0.00 1.25 0.00 0.00 119 K 7.91 3.74 0.00 1.86 1.99 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 120 K 7.68 4.01 0.00 1.85 1.86 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 121 L 8.30 4.08 0.00 2.13 2.16 0.99 1.14 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 0.00 122 V 7.95 3.86 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 0.59 0.00 0.00 0.44 0.00 0.00 123 G 7.79 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 0.00 0.00 0.00 124 E 7.79 4.15 0.00 1.83 1.70 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 2.26 2.36 0.00