NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5971 8.3601 120.5343 54.6306 42.2374 174.2559 3 A 4.4097 8.3703 120.8811 52.8481 20.1334 176.7436 4 R 4.2442 8.7900 114.6049 58.1380 31.5826 175.2610 5 Q 4.7537 7.9650 117.3269 55.9925 29.6707 175.1678 6 F 5.0360 8.8952 116.8214 56.1927 42.0649 172.5498 7 L 5.1784 8.8097 118.7166 53.2951 44.4973 175.8511 8 I 4.6835 8.2819 123.4695 60.3627 38.7266 173.7487 9 Y 5.3963 9.4601 129.6125 55.7934 41.6704 173.7757 10 N 4.3725 8.4508 125.4155 51.4437 40.2095 174.6315 11 E 3.4487 8.4136 127.8499 59.2327 30.0669 177.4026 12 D 4.4574 8.0413 116.4204 57.5520 41.2833 176.7511 13 H 4.4293 8.1449 113.7035 55.7050 29.3185 175.1676 14 K 4.0148 7.7309 117.7195 57.6057 29.7820 175.1798 15 R 4.8766 7.4383 114.8788 54.7805 35.1768 175.7483 16 C 5.6698 8.8088 117.9831 54.8637 42.1216 174.0041 17 V 4.1141 8.5470 122.0664 63.3804 32.7077 174.5573 18 D 4.8035 9.3832 125.6763 52.4990 44.4188 174.1209 19 A 4.4406 9.0839 129.4905 51.9066 18.0887 176.7438 20 L 4.3385 8.3733 122.7831 57.0077 42.9014 176.7957 21 S 3.8258 7.7352 111.2083 57.0817 65.9644 176.5038 22 A 3.5682 7.9136 123.2218 54.5860 17.9545 179.0063 23 I 4.1785 7.0126 106.4498 60.1977 37.8810 175.4397 24 S 4.4895 7.9951 117.1563 57.8109 65.6215 173.2266 25 V 4.5554 9.4005 128.0463 61.4835 33.9542 172.8861 26 Q 5.2370 9.1436 132.1906 54.7175 32.4672 174.7609 27 T 5.0565 8.1241 113.6998 61.3959 72.4722 173.0291 28 A 4.5316 8.6807 122.4643 50.9131 23.3805 175.8331 29 T 4.0922 8.4576 116.0663 63.9029 69.0672 175.5023 30 C 4.2815 8.7463 123.8846 57.0993 37.7068 172.8986 31 N 4.8373 9.2853 123.0848 51.0671 40.2830 173.0297 32 P 4.4656 0.0000 0.0000 64.8604 31.4778 176.8730 33 E 4.2051 8.5547 117.5205 56.5843 30.3003 175.8679 34 A 4.2324 7.8368 123.8665 51.1102 18.8786 177.8678 35 E 3.8643 8.9445 123.7117 59.8629 29.7853 179.8219 36 S 4.0018 7.9441 112.1484 60.3903 63.0829 175.1222 37 Q 4.6526 7.5693 118.0150 55.0618 29.3488 175.3090 38 K 4.5221 7.6465 119.5984 55.3741 33.7715 175.9341 39 F 5.1390 8.4978 122.1652 56.0460 44.1507 173.6188 40 R 5.1056 8.4350 114.4027 54.9381 32.8227 174.4742 41 W 4.7513 9.4272 122.3090 56.9900 29.6712 176.4218 42 V 4.6166 8.7241 116.8042 60.5369 31.9467 175.1553 43 S 4.6972 7.8788 113.4209 58.3520 64.8571 176.0113 44 D 4.6505 9.0651 119.5568 56.7453 40.7776 177.1375 45 S 5.3550 8.7004 111.3335 57.5986 65.2281 173.4766 46 Q 5.2467 8.6793 120.1741 54.3563 32.0039 174.1923 47 I 4.6439 8.3749 123.4140 59.6223 40.1514 173.9505 48 M 5.1034 9.1819 126.9531 53.6522 34.9088 174.6963 49 S 4.0508 9.2179 121.3982 58.0239 63.1424 175.2182 50 V 3.4203 8.3390 127.9372 65.8243 31.5468 177.1333 51 A 3.8198 7.6976 121.1921 54.2547 18.2025 177.7767 52 F 4.5791 7.8788 111.7677 56.3236 40.4729 175.7077 53 K 3.9788 8.1964 118.9826 57.5315 30.1940 174.9163 54 L 5.0319 7.7027 115.6257 53.2163 46.3600 176.5214 55 C 5.3510 9.2408 119.3127 55.5126 42.3138 173.3846 56 L 4.7998 8.7050 123.9108 55.5449 42.0109 176.7797 57 G 4.3206 9.6976 110.1353 45.9101 0.0000 171.7390 58 V 5.2431 8.0322 112.1355 58.8093 35.1436 174.8602 59 P 4.2343 0.0000 0.0000 65.6990 31.3481 176.2389 60 S 4.6618 7.4769 110.1310 57.2585 65.8029 174.9537 61 K 4.3485 8.5727 122.0410 55.1086 30.5810 176.2473 62 T 4.7327 7.2805 110.9316 58.9281 72.3555 173.9371 63 D 4.5919 8.5648 122.4160 55.6100 41.6613 175.9706 64 W 3.7604 9.5419 134.7281 57.8596 30.0516 173.5874 65 A 4.3200 7.7832 118.6298 51.6665 19.0295 177.8498 66 S 4.4406 8.5241 117.6161 58.2941 64.0576 174.0705 67 V 4.5203 8.4763 125.4211 62.2562 31.9941 174.4701 68 T 4.7224 8.8712 121.7059 60.6499 72.2078 171.7188 69 L 5.3245 8.2918 121.2825 53.9116 43.6028 175.9169 70 Y 4.8753 9.3628 120.4285 55.4619 42.4705 174.7750 71 A 4.3416 8.9171 123.1260 52.6314 18.8952 178.4550 72 C 4.3008 8.9152 120.4068 57.3924 42.2372 173.4647 73 D 4.5045 8.6302 124.1198 53.1096 42.3625 175.5932 74 S 4.1960 8.8996 122.9301 61.0794 62.7675 175.7513 75 K 4.1906 8.2124 118.5732 57.1577 32.6897 176.8909 76 S 4.2028 8.1981 115.5247 58.5284 62.3641 173.7684 77 E 4.1823 8.8528 126.5735 56.7936 29.3399 176.3900 78 Y 4.3360 8.0061 115.8078 57.6690 38.7618 176.1139 79 Q 4.4617 7.6151 116.5203 55.7009 30.0609 174.8486 80 K 4.7732 7.7002 119.3634 55.4502 34.0600 175.5950 81 W 5.3638 9.1977 124.8158 55.1485 33.0490 174.2097 82 E 4.9395 8.7318 117.4288 55.9577 32.7620 173.3241 83 C 5.2002 8.8675 118.2002 56.2044 41.5327 174.2303 84 K 4.5538 8.8816 125.0185 55.6146 33.6353 176.1376 85 N 4.4661 8.7802 117.6159 55.0682 39.8287 174.4627 86 D 4.3446 9.3915 118.1031 56.1770 37.9780 174.7256 87 T 3.4947 7.7289 108.2966 61.7899 68.7320 172.0158 88 L 4.6238 8.0878 125.8812 55.4876 43.2604 175.3943 89 F 5.3763 9.1744 127.9154 56.8758 43.1023 173.9568 90 G 4.8359 7.9447 110.4097 45.7045 0.0000 172.1217 91 I 3.7223 8.0160 120.7818 60.5732 38.0251 176.3871 92 K 4.0856 8.3478 128.8670 58.3194 32.1422 176.8604 93 G 3.9190 9.5103 114.5129 45.8287 0.0000 172.7160 94 T 4.6189 7.4981 114.5206 61.7472 72.6056 173.7006 95 E 4.2638 8.3121 122.0521 56.3743 29.6657 176.8147 96 L 4.5947 6.9659 118.1925 53.0666 45.5458 176.7925 97 Y 5.5013 9.0169 121.7927 55.8366 41.4746 174.9607 98 F 4.6295 9.7193 125.2504 59.0043 40.4254 173.4801 99 N 6.0481 9.6919 125.1847 52.3886 42.7343 172.4015 100 Y 4.9040 9.1323 124.9734 56.5814 41.5808 173.6310 101 G 2.0799 7.8207 116.1714 45.0170 0.0000 173.7929 102 N 4.7422 8.0063 118.2199 53.7081 39.5501 175.1176 103 R 3.9832 9.2287 118.4836 57.0628 27.7886 176.2053 104 Q 3.4094 8.1480 112.5508 56.7027 26.3465 172.9638 105 E 4.3632 7.8845 118.6591 55.2666 29.8574 176.6649 106 K 4.2626 8.6512 126.3704 58.9246 32.6782 176.9631 107 N 4.6554 8.3452 116.7662 52.5901 39.7772 174.5223 108 I 3.9110 8.1639 124.7863 61.5001 38.3152 175.3413 109 K 4.8601 8.7754 124.5805 54.3905 36.6061 175.0882 110 L 5.0807 8.5803 122.0477 54.4571 43.2767 175.5091 111 Y 5.5779 9.2689 123.3481 56.1702 42.2598 176.2504 112 K 3.7806 7.9218 124.9465 58.9894 32.4976 178.6897 113 G 3.9346 6.6290 106.8067 45.8101 0.0000 173.1569 114 S 4.6095 8.5151 116.5328 57.5666 64.2140 175.1338 115 G 3.9318 7.8626 113.6528 46.1407 0.0000 175.0518 116 L 3.9936 8.3391 117.9236 57.4460 41.8847 178.7068 117 W 4.6571 8.0571 116.7225 57.8907 29.7034 177.2763 118 S 5.7878 8.2633 113.6917 57.5148 62.8866 173.2578 119 R 5.2346 7.4447 119.3521 54.2367 31.7736 175.5194 120 W 5.3311 9.1502 121.7150 54.9623 33.1476 174.6257 121 K 4.9662 9.3911 121.5322 54.2994 36.6160 175.5880 122 V 4.3375 8.5530 122.4135 62.5886 32.3550 175.0050 123 Y 4.3706 8.9886 130.0263 59.7998 38.8933 176.6086 124 G 3.6223 8.8750 115.1006 45.1869 0.0000 172.0833 125 T 4.7054 7.5312 108.4118 60.4171 71.8840 173.6408 126 T 4.6297 8.3932 109.1061 61.5863 69.2709 173.3776 127 D 4.9411 7.8439 121.5163 53.1650 43.4100 176.1122 128 D 5.1899 8.2161 121.1535 52.4124 40.9755 177.2562 129 L 3.8640 8.4046 118.5628 58.0343 41.2886 180.2586 130 C 4.0519 8.2605 116.0341 58.9449 39.8568 175.8223 131 S 3.8589 7.8580 115.0928 60.4079 62.5669 175.5613 132 R 4.3593 7.2568 119.2972 56.6212 30.5477 176.2359 133 G 3.1347 7.4927 109.3170 44.1814 0.0000 172.7213 134 Y 4.3104 7.7694 114.8938 58.9154 38.8494 175.4888 135 E 4.1747 7.8084 124.0179 56.0958 29.7608 175.2053 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 2 D 8.36 4.60 0.00 2.72 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 3 A 8.37 4.41 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 4 R 8.79 4.24 0.00 1.96 2.10 0.00 3.34 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 5 Q 7.96 4.75 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 6 F 8.90 5.04 0.00 3.20 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 7 L 8.81 5.18 0.00 1.88 1.66 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.28 4.68 1.52 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.20 0.43 0.00 0.00 9 Y 9.46 5.40 0.00 3.18 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 10 N 8.45 4.37 0.00 1.44 2.11 0.00 0.00 6.58 8.40 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 11 E 8.41 3.45 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 12 D 8.04 4.46 0.00 2.69 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 13 H 8.14 4.43 0.00 3.10 3.35 0.00 6.05 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.73 4.01 0.00 1.99 2.05 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.66 7.81 15 R 7.44 4.88 0.00 1.62 1.65 0.00 3.12 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 16 C 8.81 5.67 0.00 2.86 2.92 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 17 V 8.55 4.11 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.56 0.00 0.00 18 D 9.38 4.80 0.00 2.71 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 0.00 0.00 0.00 0.00 19 A 9.08 4.44 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 20 L 8.37 4.34 0.00 1.70 1.72 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.74 3.83 0.00 3.78 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 22 A 7.91 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.01 4.18 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.63 0.77 0.00 0.00 24 S 8.00 4.49 0.00 3.77 3.60 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 25 V 9.40 4.56 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 0.95 0.00 0.00 0.87 0.00 0.00 26 Q 9.14 5.24 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.43 0.00 0.00 0.00 0.00 0.00 2.19 2.04 0.00 27 T 8.12 5.06 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 0.46 0.00 0.00 28 A 8.68 4.53 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 29 T 8.46 4.09 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 1.22 0.00 0.00 30 C 8.75 4.28 0.00 2.58 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 0.00 0.00 0.00 31 N 9.29 4.84 0.00 2.62 2.59 0.00 0.00 6.56 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 32 P 0.00 4.47 0.00 2.28 2.32 0.00 3.86 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 2.08 0.00 33 E 8.55 4.21 0.00 1.95 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 2.29 2.48 0.00 34 A 7.84 4.23 1.27 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 35 E 8.94 3.86 0.00 1.86 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 2.31 2.15 0.00 36 S 7.94 4.00 0.00 4.28 4.07 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 37 Q 7.57 4.65 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.23 0.00 38 K 7.65 4.52 0.00 1.62 1.54 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.47 7.81 39 F 8.50 5.14 0.00 2.03 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 5.11 0.00 2.04 2.24 0.00 2.80 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 41 W 9.43 4.75 0.00 3.14 3.54 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 42 V 8.72 4.62 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 0.92 0.00 0.00 1.09 0.00 0.00 43 S 7.88 4.70 0.00 4.03 3.98 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 44 D 9.07 4.65 0.00 2.75 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 45 S 8.70 5.36 0.00 4.02 4.17 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 46 Q 8.68 5.25 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.91 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 47 I 8.37 4.64 1.41 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.60 0.00 0.00 48 M 9.18 5.10 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.47 0.00 49 S 9.22 4.05 0.00 3.88 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 50 V 8.34 3.42 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 0.68 0.00 0.00 0.79 0.00 0.00 51 A 7.70 3.82 0.82 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 52 F 7.88 4.58 0.00 2.98 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 53 K 8.20 3.98 0.00 1.92 1.91 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.37 7.81 54 L 7.70 5.03 0.00 1.61 1.68 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 55 C 9.24 5.35 0.00 3.10 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 56 L 8.71 4.80 0.00 1.60 1.78 0.26 0.74 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 57 G 9.70 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 58 V 8.03 5.24 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 0.88 0.00 0.00 0.99 0.00 0.00 59 P 0.00 4.23 0.00 2.15 2.24 0.00 3.92 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 60 S 7.48 4.66 0.00 4.03 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 61 K 8.57 4.35 0.00 1.71 1.70 0.00 1.42 0.00 0.00 1.46 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.19 7.81 62 T 7.28 4.73 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 1.25 0.00 0.00 63 D 8.56 4.59 0.00 2.69 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 64 W 9.54 3.76 0.00 3.61 3.31 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 0.00 0.00 0.00 65 A 7.78 4.32 1.39 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 0.00 0.00 66 S 8.52 4.44 0.00 3.72 3.70 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 67 V 8.48 4.52 1.82 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 0.99 0.00 0.00 1.02 0.00 0.00 68 T 8.87 4.72 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 1.16 0.00 0.00 69 L 8.29 5.32 0.00 1.38 1.57 0.58 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 9.36 4.88 0.00 2.88 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 71 A 8.92 4.34 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 72 C 8.92 4.30 0.00 3.05 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 73 D 8.63 4.50 0.00 2.53 2.54 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 74 S 8.90 4.20 0.00 4.05 4.06 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 75 K 8.21 4.19 0.00 1.90 1.91 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.38 7.81 76 S 8.20 4.20 0.00 3.89 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.85 4.18 0.00 1.63 1.64 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 2.25 2.17 0.00 78 Y 8.01 4.34 0.00 2.86 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 79 Q 7.62 4.46 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 80 K 7.70 4.77 0.00 1.52 1.69 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.59 7.81 81 W 9.20 5.36 0.00 3.18 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 82 E 8.73 4.94 0.00 2.06 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 2.20 2.32 0.00 83 C 8.87 5.20 0.00 3.01 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 84 K 8.88 4.55 0.00 1.83 1.85 0.00 1.93 0.00 0.00 1.83 0.00 0.00 3.15 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.74 1.88 7.81 85 N 8.78 4.47 0.00 2.80 2.75 0.00 0.00 7.10 8.08 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 86 D 9.39 4.34 0.00 2.75 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 87 T 7.73 3.49 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 1.27 0.00 0.00 88 L 8.09 4.62 0.00 1.83 1.69 0.66 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 89 F 9.17 5.38 0.00 3.33 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 90 G 7.94 4.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.02 3.72 1.62 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.15 0.57 0.00 0.00 92 K 8.35 4.09 0.00 1.67 1.65 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.60 7.81 93 G 9.51 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 94 T 7.50 4.62 4.07 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 1.09 0.00 0.00 95 E 8.31 4.26 0.00 1.88 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 2.36 2.32 0.00 96 L 6.97 4.59 0.00 1.39 1.47 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.02 5.50 0.00 3.29 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 98 F 9.72 4.63 0.00 3.36 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 99 N 9.69 6.05 0.00 3.29 3.01 0.00 0.00 6.19 7.43 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 0.00 100 Y 9.13 4.90 0.00 3.08 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 0.00 101 G 7.82 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 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.01 4.74 0.00 2.88 2.69 0.00 0.00 7.20 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 0.00 103 R 9.23 3.98 0.00 2.13 2.06 0.00 3.46 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.00 104 Q 8.15 3.41 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 105 E 7.88 4.36 0.00 2.20 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 0.00 1.91 2.35 0.00 106 K 8.65 4.26 0.00 1.87 1.85 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.58 1.45 7.81 107 N 8.35 4.66 0.00 2.59 2.60 0.00 0.00 7.24 8.66 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 0.00 108 I 8.16 3.91 1.39 0.00 0.00 0.59 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 0.22 -0.49 0.00 0.00 109 K 8.78 4.86 0.00 1.17 1.12 0.00 0.69 0.00 0.00 1.08 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.82 0.21 7.81 110 L 8.58 5.08 0.00 1.78 1.68 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 111 Y 9.27 5.58 0.00 3.30 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 0.00 112 K 7.92 3.78 0.00 1.36 1.68 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.29 7.81 113 G 6.63 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 0.00 0.00 0.00 114 S 8.52 4.61 0.00 3.67 3.65 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 0.00 115 G 7.86 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 0.00 0.00 0.00 116 L 8.34 3.99 0.00 1.61 1.74 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.06 4.66 0.00 3.44 3.37 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 0.00 118 S 8.26 5.79 0.00 4.02 4.16 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 0.00 119 R 7.44 5.23 0.00 1.74 1.82 0.00 3.08 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 120 W 9.15 5.33 0.00 2.94 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 0.00 121 K 9.39 4.97 0.00 1.89 1.90 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.43 7.81 122 V 8.55 4.34 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 0.96 0.00 0.00 0.72 0.00 0.00 123 Y 8.99 4.37 0.00 3.01 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 0.00 124 G 8.88 3.62 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 0.00 0.00 0.00 125 T 7.53 4.71 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 1.18 0.00 0.00 126 T 8.39 4.63 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 0.00 127 D 7.84 4.94 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 0.00 128 D 8.22 5.19 0.00 3.02 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 0.00 129 L 8.40 3.86 0.00 1.63 1.69 -0.65 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 130 C 8.26 4.05 0.00 3.07 2.92 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 0.00 131 S 7.86 3.86 0.00 3.98 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 0.00 132 R 7.26 4.36 0.00 1.28 1.75 0.00 3.37 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.21 0.00 133 G 7.49 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 0.00 0.00 0.00 134 Y 7.77 4.31 0.00 3.13 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 0.00 135 E 7.81 4.17 0.00 1.84 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 2.20 2.28 0.00