NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4049 8.1927 115.2897 58.0907 63.8767 174.3804 4 S 3.9154 8.4969 119.9919 60.8226 62.2273 174.9145 5 A 4.0201 8.1297 123.3069 54.8426 18.5668 178.8814 6 K 3.8262 7.9655 117.5725 59.7842 32.3409 178.7760 7 R 3.9135 8.1701 118.6145 59.2761 30.0459 178.7499 8 K 3.8620 8.4029 119.4029 59.8304 32.1886 178.8291 9 Q 3.9064 7.8385 117.8795 58.8252 28.7228 178.5033 10 E 3.9929 8.2480 119.6069 59.7120 29.4811 179.4201 11 E 4.0605 8.5160 118.7197 58.9104 29.4111 179.2106 12 K 3.9039 8.0831 119.9534 59.9291 32.1947 178.5935 13 H 4.3305 8.3052 116.4688 58.9008 28.5289 177.8619 14 L 4.1183 8.0009 120.5680 57.4241 41.3907 179.3642 15 K 3.9201 8.3932 119.9977 59.8450 32.0800 178.7590 16 M 4.0551 8.3086 119.1164 58.2250 31.7772 178.4688 17 L 3.9534 8.3373 120.8598 58.4126 41.8114 179.3458 18 R 4.4696 8.2494 119.0974 58.1532 29.7224 178.3766 19 D 4.3330 8.0135 117.7663 57.7409 41.4771 177.9930 20 M 4.1259 7.7673 119.0341 58.3517 32.0516 178.7322 21 T 3.6539 8.2637 109.9523 63.6733 68.7198 175.9970 22 G 3.7773 7.3407 106.0120 44.5402 0.0000 174.1139 23 L 4.1345 7.2020 122.7090 53.7595 42.7536 176.0701 24 P 4.2143 0.0000 0.0000 66.4248 31.0441 178.3806 25 H 4.2494 8.1427 114.3042 57.9519 28.7440 175.9397 26 N 4.5554 7.8285 114.8714 54.1023 38.3956 176.1048 27 R 4.1614 7.7435 117.3030 57.1368 30.6104 176.2443 28 K 4.8114 7.5436 116.4750 53.8671 35.8747 175.4296 29 C 4.1508 8.9775 122.5780 60.0219 31.8155 174.8613 30 F 4.4552 9.1310 129.2923 60.9907 39.3855 175.7334 31 D 4.5127 8.2190 119.2842 55.6896 41.3131 176.8544 32 C 3.1655 7.6386 111.9145 56.7153 30.9113 173.9635 33 D 4.7165 7.7925 117.7699 55.1244 39.7222 173.7287 34 Q 4.3977 7.2082 116.3384 55.8206 30.3295 175.1858 35 R 4.5207 7.2918 112.8461 54.6481 32.1243 174.0974 36 G 3.9821 8.3818 107.5301 44.5066 0.0000 171.8846 37 P 4.6551 0.0000 0.0000 62.7556 32.3028 176.0588 38 T 4.6596 8.6483 108.1774 61.5584 71.4467 172.7677 39 Y 5.0760 8.7101 119.4154 56.2026 42.5321 174.6249 40 V 4.4549 8.9235 115.1024 59.8969 34.3413 175.0706 41 N 4.9995 8.9350 124.8203 52.6522 38.4984 175.2181 42 M 4.1538 9.0184 127.0644 58.0414 32.1172 178.4569 43 T 3.8534 8.0323 115.4904 65.9224 68.5687 175.4983 44 V 4.4151 7.8808 110.7154 60.5306 33.5968 175.7401 45 G 3.7738 8.8508 109.0640 46.3702 0.0000 172.9961 46 S 5.1160 7.7782 112.3780 56.1113 67.1020 172.3569 47 F 5.1948 9.5240 118.8797 55.9191 41.1129 175.5234 48 V 5.0655 9.1454 116.7650 59.6235 36.5898 175.1686 49 C 4.9358 8.4979 117.1996 57.4346 31.4665 174.8913 50 T 3.8150 8.1580 115.8187 66.6482 67.8730 177.1670 51 S 4.0776 7.9922 114.6194 61.7098 62.5495 175.9041 52 C 4.2766 8.0541 118.9280 62.7759 27.9057 175.9814 53 S 4.1602 8.3049 117.1117 61.5279 62.1402 176.9076 54 G 3.5980 7.9076 107.2463 48.0587 0.0000 175.6216 55 S 4.3147 8.0619 117.3689 61.2286 62.9172 176.7175 56 L 3.9399 8.3866 122.1917 57.7410 41.1193 179.4159 57 R 4.2044 7.8699 116.4739 57.8266 30.1301 177.5583 58 G 3.8413 7.7635 106.5540 45.8993 0.0000 174.3244 59 L 4.1561 7.5390 120.2618 54.4209 42.3735 175.4995 60 N 4.8910 7.8724 119.2595 51.0884 40.6063 172.7413 61 P 4.4786 0.0000 0.0000 61.5407 32.2078 174.7337 62 P 4.7482 0.0000 0.0000 62.1577 32.2853 175.6938 63 H 4.4152 8.2244 117.1269 55.6072 29.9263 175.3833 64 R 4.3231 8.7877 122.9652 55.5292 30.6989 175.2475 65 V 5.0617 8.2780 119.8100 59.6125 34.1742 175.7328 66 K 4.8238 9.1817 123.2076 54.3233 36.4435 175.7278 67 S 3.4996 8.6748 119.0699 58.1879 62.8489 174.8769 68 I 3.9538 8.2968 129.2225 64.4484 37.0314 177.5764 69 S 4.4448 7.8608 112.4846 59.5978 63.5368 174.4100 70 M 4.5009 7.6574 118.2696 55.2936 33.5032 176.1485 71 T 3.9491 7.2152 115.5706 63.0028 69.2170 175.2861 72 T 4.2422 7.8125 122.3482 61.9858 67.5395 174.5395 73 F 4.4497 8.1742 124.9805 57.2795 39.9181 176.4365 74 T 4.3633 8.8450 115.1888 60.7707 71.1866 175.7721 75 Q 3.8165 8.5154 121.9367 59.5721 28.9364 178.5728 76 Q 4.0241 8.0680 118.3046 59.1030 28.7975 178.6661 77 E 4.0316 8.2270 119.4142 59.5064 29.5185 179.3866 78 I 3.6265 7.9190 119.8920 64.5902 37.3028 178.4144 79 E 4.1649 8.5067 119.5100 59.1650 29.0138 179.0981 80 F 4.1333 8.2231 120.0626 61.4237 39.8160 176.8886 81 L 4.0280 8.2028 118.5540 57.8935 41.1425 179.5378 82 Q 4.0298 8.0773 117.2595 58.6455 28.7355 178.3091 83 K 4.1466 7.6086 116.8234 55.9859 32.7060 176.8584 84 H 4.3882 8.0613 113.7895 54.1004 28.8591 178.5285 85 G 4.1521 8.6034 121.0880 46.2706 0.0000 173.8416 86 N 4.0539 9.3418 115.8535 55.6664 38.3407 177.8089 87 E 3.7389 8.0150 120.6331 59.1350 29.8367 178.5488 88 V 3.5292 7.6761 117.7587 66.4403 31.4692 177.5998 89 C 4.3917 8.1883 116.4347 62.5945 27.9384 175.9471 90 K 4.3511 8.3385 121.3678 59.9375 31.3193 178.9242 91 Q 4.1042 8.1350 117.4961 58.9161 28.4267 177.4204 92 I 4.0541 7.2246 121.2097 62.4753 37.1528 177.8947 93 W 4.5807 8.7986 122.9707 58.6804 29.5175 177.2466 94 L 4.9862 8.0280 118.2986 54.2612 42.0581 178.8315 95 G 3.7531 8.4583 109.8840 47.4511 0.0000 175.0096 96 L 4.6198 8.2491 117.6376 54.3436 42.5557 176.4274 97 F 4.1596 8.1177 122.4255 57.7235 39.9542 173.7375 98 D 4.7788 8.3111 127.9490 52.5134 41.7901 176.8931 99 D 4.6452 8.7558 126.7576 56.7823 41.1916 177.7630 100 R 4.2070 8.2669 118.2920 58.4814 30.3212 177.9117 101 S 4.5149 7.6239 106.2971 58.3682 65.5636 174.3048 102 S 4.0089 7.5551 117.5642 58.1543 62.8751 173.8132 103 A 4.2173 8.6065 126.0507 52.1211 18.4026 177.2528 104 I 4.1646 8.0048 116.1707 58.1603 40.5338 173.5673 105 P 4.2297 0.0000 0.0000 61.4180 32.5427 175.2700 106 D 4.3212 8.1118 118.1127 54.0392 40.6941 176.6532 107 F 4.2853 8.7909 128.1675 59.8441 39.1033 177.3509 108 R 4.0820 8.4441 118.7986 57.3438 29.7394 181.8516 109 D 4.7902 7.9292 116.4717 52.9177 42.0738 174.5993 110 P 4.3711 0.0000 0.0000 66.4688 31.5022 179.3052 111 Q 4.0368 8.2182 119.0495 60.1729 28.0647 181.2511 112 K 4.2517 8.0991 120.1115 59.0451 32.0971 179.5977 113 V 3.5523 7.8358 118.7280 65.6707 31.3961 177.7012 114 K 3.9401 8.3737 122.0257 60.5150 32.0015 179.0602 115 E 4.0286 8.1008 117.8204 61.0241 29.5454 180.7394 116 F 4.5830 8.4262 121.5793 61.3904 39.4407 177.3367 117 L 3.8536 8.4490 118.9561 57.7009 41.3317 179.4815 118 Q 4.0116 8.4739 118.4516 59.1809 28.6232 178.8457 119 E 3.9195 8.3007 119.4920 58.9733 29.1674 179.4887 120 K 4.0714 7.8052 119.0382 59.5761 32.3770 177.7452 121 Y 4.5212 7.8026 114.6573 58.9157 38.8178 176.8524 122 E 4.3774 8.0004 117.7089 58.5739 30.3718 177.7263 123 K 4.0289 8.3108 116.3253 56.7636 31.3679 177.0903 124 K 4.0826 8.0519 117.4718 57.2905 29.1472 177.3467 125 R 3.8506 8.1593 120.4700 58.4800 30.3416 176.7314 126 W 4.9877 7.7373 114.6771 56.4743 30.8142 174.5456 127 Y 4.9823 8.2587 121.1364 56.8786 39.4756 174.5770 128 V 4.2451 7.9622 126.1079 60.0339 34.3344 173.3086 129 P 3.8444 0.0000 0.0000 61.9068 32.1536 175.4036 130 P 4.1143 0.0000 0.0000 66.4499 30.9064 179.5326 131 E 3.9576 7.9610 115.7758 61.1163 30.0554 181.1503 132 Q 4.2212 7.9126 120.0906 58.8603 29.0437 177.6644 133 A 3.9950 8.0470 123.5142 55.8905 18.4239 180.1418 134 K 4.0336 7.8443 121.1126 59.3776 31.8453 179.2384 135 V 4.0198 7.3587 122.3709 62.9955 31.4455 175.3702 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 3 S 8.19 4.40 0.00 3.87 3.79 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 0.00 0.00 0.00 0.00 4 S 8.50 3.92 0.00 4.01 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 5 A 8.13 4.02 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 6 K 7.97 3.83 0.00 1.83 2.03 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.54 7.81 7 R 8.17 3.91 0.00 2.10 1.98 0.00 3.19 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 8 K 8.40 3.86 0.00 1.87 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 9 Q 7.84 3.91 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 10 E 8.25 3.99 0.00 2.17 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 2.36 2.52 0.00 11 E 8.52 4.06 0.00 1.96 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 2.56 2.46 0.00 12 K 8.08 3.90 0.00 1.91 1.89 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 13 H 8.31 4.33 0.00 3.45 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.00 4.12 0.00 1.92 1.76 0.95 0.78 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 15 K 8.39 3.92 0.00 1.82 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 16 M 8.31 4.06 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 17 L 8.34 3.95 0.00 1.86 1.90 0.86 1.03 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 18 R 8.25 4.47 0.00 1.86 1.95 0.00 3.36 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 1.84 1.64 0.00 19 D 8.01 4.33 0.00 2.64 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 20 M 7.77 4.13 0.00 1.95 2.22 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 21 T 8.26 3.65 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 1.17 0.00 0.00 22 G 7.34 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 23 L 7.20 4.13 0.00 1.71 1.55 0.86 0.93 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 24 P 0.00 4.21 0.00 2.13 2.28 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 25 H 8.14 4.25 0.00 3.14 3.48 0.00 5.89 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 7.83 4.56 0.00 2.62 2.12 0.00 0.00 7.04 7.08 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 27 R 7.74 4.16 0.00 1.99 1.93 0.00 3.02 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 1.59 1.77 0.00 28 K 7.54 4.81 0.00 1.70 1.70 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.31 7.81 29 C 8.98 4.15 0.00 2.92 2.79 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 0.00 0.00 0.00 0.00 30 F 9.13 4.46 0.00 3.27 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 31 D 8.22 4.51 0.00 2.79 2.90 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 32 C 7.64 3.17 0.00 1.48 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 0.00 0.00 0.00 0.00 33 D 7.79 4.72 0.00 2.68 2.62 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 34 Q 7.21 4.40 0.00 1.78 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.38 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 35 R 7.29 4.52 0.00 1.94 1.99 0.00 2.97 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 36 G 8.38 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 0.00 0.00 0.00 37 P 0.00 4.66 0.00 2.41 2.36 0.00 3.73 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 2.07 2.18 0.00 38 T 8.65 4.66 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 1.28 0.00 0.00 39 Y 8.71 5.08 0.00 2.90 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 40 V 8.92 4.45 1.75 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 -0.04 0.00 0.00 1.07 0.00 0.00 41 N 8.93 5.00 0.00 2.72 2.68 0.00 0.00 7.02 7.19 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 42 M 9.02 4.15 0.00 1.84 2.19 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.76 0.00 43 T 8.03 3.85 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 0.78 0.00 0.00 44 V 7.88 4.42 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 0.24 0.00 0.00 0.82 0.00 0.00 45 G 8.85 3.77 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 0.00 0.00 0.00 46 S 7.78 5.12 0.00 3.96 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 47 F 9.52 5.19 0.00 2.97 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 48 V 9.15 5.07 2.17 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 0.98 0.00 0.00 1.08 0.00 0.00 49 C 8.50 4.94 0.00 3.15 3.11 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 0.00 0.00 0.00 0.00 50 T 8.16 3.81 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 1.21 0.00 0.00 51 S 7.99 4.08 0.00 3.91 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 52 C 8.05 4.28 0.00 3.04 3.03 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 0.00 0.00 0.00 0.00 53 S 8.30 4.16 0.00 3.73 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.91 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 0.00 0.00 0.00 55 S 8.06 4.31 0.00 4.11 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 56 L 8.39 3.94 0.00 1.76 1.61 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.87 4.20 0.00 1.91 1.95 0.00 3.43 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.71 0.00 58 G 7.76 3.84 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 59 L 7.54 4.16 0.00 1.83 1.71 0.71 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.87 4.89 0.00 2.79 2.67 0.00 0.00 7.18 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 61 P 0.00 4.48 0.00 2.06 1.95 0.00 3.73 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 2.02 2.06 0.00 62 P 0.00 4.75 0.00 2.15 2.25 0.00 3.34 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 63 H 8.22 4.42 0.00 2.92 3.28 0.00 5.66 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 64 R 8.79 4.32 0.00 1.86 1.76 0.00 3.08 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 65 V 8.28 5.06 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 0.74 0.00 0.00 0.81 0.00 0.00 66 K 9.18 4.82 0.00 1.86 1.57 0.00 1.78 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 67 S 8.67 3.50 0.00 3.63 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.30 3.95 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.74 1.00 0.00 0.00 69 S 7.86 4.44 0.00 3.96 3.97 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 0.00 0.00 0.00 70 M 7.66 4.50 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 71 T 7.22 3.95 3.03 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 0.00 0.00 0.00 0.43 0.00 0.00 72 T 7.81 4.24 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 1.22 0.00 0.00 73 F 8.17 4.45 0.00 3.07 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 74 T 8.85 4.36 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 1.23 0.00 0.00 75 Q 8.52 3.82 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 76 Q 8.07 4.02 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 77 E 8.23 4.03 0.00 2.31 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 2.37 2.39 0.00 78 I 7.92 3.63 1.97 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.81 0.92 0.00 0.00 79 E 8.51 4.16 0.00 2.06 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 2.35 2.51 0.00 80 F 8.22 4.13 0.00 3.09 3.29 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 0.00 81 L 8.20 4.03 0.00 1.88 1.72 0.49 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 8.08 4.03 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 83 K 7.61 4.15 0.00 1.71 1.64 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.59 7.81 84 H 8.06 4.39 0.00 2.77 2.22 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.60 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 86 N 9.34 4.05 0.00 2.91 3.10 0.00 0.00 7.10 7.21 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 87 E 8.02 3.74 0.00 1.74 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 0.00 2.26 2.07 0.00 88 V 7.68 3.53 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 0.95 0.00 0.00 0.88 0.00 0.00 89 C 8.19 4.39 0.00 2.21 2.42 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 90 K 8.34 4.35 0.00 2.26 2.13 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.61 7.81 91 Q 8.13 4.10 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 92 I 7.22 4.05 1.60 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 1.23 1.51 -0.26 0.00 0.00 93 W 8.80 4.58 0.00 3.65 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 94 L 8.03 4.99 0.00 1.92 1.52 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.46 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 96 L 8.25 4.62 0.00 1.90 1.87 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.12 4.16 0.00 2.75 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 98 D 8.31 4.78 0.00 2.69 2.34 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 99 D 8.76 4.65 0.00 2.76 2.79 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 0.00 0.00 0.00 0.00 100 R 8.27 4.21 0.00 1.94 1.96 0.00 3.15 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 101 S 7.62 4.51 0.00 3.87 3.84 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 0.00 102 S 7.56 4.01 0.00 2.72 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 0.00 103 A 8.61 4.22 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.00 4.16 1.63 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 1.46 0.70 1.01 0.00 0.00 105 P 0.00 4.23 0.00 1.68 1.92 0.00 2.43 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.14 0.00 106 D 8.11 4.32 0.00 2.72 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 0.00 107 F 8.79 4.29 0.00 3.06 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 0.00 108 R 8.44 4.08 0.00 1.83 1.84 0.00 3.24 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 0.00 109 D 7.93 4.79 0.00 2.69 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 0.00 110 P 0.00 4.37 0.00 2.21 2.11 0.00 3.66 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 111 Q 8.22 4.04 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 112 K 8.10 4.25 0.00 1.68 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.39 7.81 113 V 7.84 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 1.31 0.00 0.00 0.96 0.00 0.00 114 K 8.37 3.94 0.00 1.95 2.00 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 115 E 8.10 4.03 0.00 2.05 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 2.24 2.19 0.00 116 F 8.43 4.58 0.00 3.08 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 0.00 117 L 8.45 3.85 0.00 1.92 1.83 1.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.47 4.01 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 119 E 8.30 3.92 0.00 2.18 1.66 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 2.23 2.48 0.00 120 K 7.81 4.07 0.00 1.28 1.34 0.00 1.15 0.00 0.00 1.02 0.00 0.00 2.66 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.31 1.28 7.81 121 Y 7.80 4.52 0.00 2.96 2.74 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 0.00 122 E 8.00 4.38 0.00 2.12 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 2.31 2.37 0.00 123 K 8.31 4.03 0.00 1.61 1.78 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.38 7.81 124 K 8.05 4.08 0.00 1.83 1.69 0.00 1.38 0.00 0.00 0.67 0.00 0.00 2.21 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.07 1.38 7.81 125 R 8.16 3.85 0.00 1.08 0.66 0.00 2.69 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 126 W 7.74 4.99 0.00 3.74 3.29 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 0.00 127 Y 8.26 4.98 0.00 2.96 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 0.00 128 V 7.96 4.25 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 0.82 0.00 0.00 0.90 0.00 0.00 129 P 0.00 3.84 0.00 2.13 1.96 0.00 3.55 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 130 P 0.00 4.11 0.00 2.11 2.05 0.00 3.54 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.02 0.00 131 E 7.96 3.96 0.00 2.06 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 0.00 2.23 1.94 0.00 132 Q 7.91 4.22 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 133 A 8.05 4.00 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 0.00 134 K 7.84 4.03 0.00 1.89 1.74 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.31 7.81 135 V 7.36 4.02 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 0.86 0.00 0.00 0.92 0.00 0.00