NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4453 8.3149 120.1468 56.3807 33.4327 175.1398 4 Q 4.3667 7.8164 117.5347 54.6448 30.8027 171.8463 5 V 4.5135 9.4765 123.1021 61.4217 34.3260 173.8767 6 E 4.8300 9.0804 127.7204 54.7501 31.6593 174.9722 7 I 4.9412 8.1943 125.1858 59.3788 40.9607 174.6276 8 F 5.4149 9.2409 124.3244 56.0004 42.2720 174.1174 9 T 5.3359 8.8141 113.5020 60.3915 71.9347 172.7006 10 D 4.8636 9.1591 120.9679 53.6558 45.1662 174.1207 11 G 4.7709 8.5624 109.3277 45.3682 0.0000 171.5469 12 S 5.0562 8.9555 114.4610 57.4898 66.7641 173.0755 13 A 5.0404 8.9849 121.3343 50.3771 22.2493 175.8892 14 L 4.5145 8.9728 118.7601 54.3979 42.5281 176.5578 15 G 4.0666 7.4302 107.2746 45.4622 0.0000 172.7201 16 N 5.0126 8.5983 116.6458 52.5567 39.5873 171.8965 17 P 4.9928 0.0000 0.0000 60.8816 34.4016 173.6877 18 G 4.1007 8.4657 107.1132 45.0011 0.0000 170.1592 19 P 5.0187 0.0000 0.0000 63.0531 32.5641 176.2669 20 G 4.4357 9.2744 110.1030 45.5643 0.0000 171.0270 21 G 4.7014 9.0726 106.5849 45.6224 0.0000 171.6408 22 Y 5.5607 8.4350 117.4855 55.1169 42.1514 174.7019 23 G 4.6048 9.4719 106.6007 44.6949 0.0000 171.4786 24 A 5.5303 9.6173 125.5411 50.2573 23.1936 174.7738 25 I 5.0305 9.1659 122.3964 59.5025 40.6253 174.5161 26 L 5.2704 9.3303 127.2622 52.8905 44.6182 175.3465 27 R 5.2414 9.4311 124.1705 54.7422 33.0049 173.6767 28 Y 5.0032 9.3987 126.9160 56.9925 42.6156 174.6257 29 R 3.2235 8.9879 125.5834 57.1792 28.2615 175.9660 30 G 4.0667 7.9561 107.1935 45.4168 0.0000 172.6340 31 R 4.6115 7.8763 118.1502 54.3869 32.4945 174.2330 32 E 5.3192 8.4018 119.1428 54.4310 32.6897 174.5825 33 K 4.6741 9.2830 126.8352 54.8814 35.7613 174.7582 34 T 5.1876 8.0789 121.2984 61.7772 72.1278 173.2523 35 F 5.0031 9.1123 123.1929 55.9935 42.9967 173.9783 36 S 4.9096 9.0147 114.7224 58.3296 65.2686 173.4267 37 A 4.4014 7.0424 126.0625 50.7033 22.5295 175.0407 38 G 4.4158 8.3564 106.5938 44.5340 0.0000 171.5139 39 Y 5.2765 9.1023 120.5164 56.0579 40.7527 177.1175 40 T 3.9558 8.9055 113.7471 64.2922 69.9432 174.6708 41 R 4.4055 7.8316 121.7562 55.9378 32.3046 173.4616 42 T 4.1649 8.4294 122.2842 61.5536 71.3691 171.6331 43 T 4.8631 8.0288 109.9143 59.3772 72.3740 174.8961 44 N 4.2720 8.8353 119.2222 56.7773 38.5609 177.4029 45 N 4.1616 7.9322 117.1510 56.3364 38.5159 177.5840 46 R 3.9187 7.9090 119.4733 59.4388 30.1229 179.0415 47 M 4.2099 8.0493 118.5462 58.1754 31.7125 178.5960 48 E 4.0699 8.5032 119.2126 59.2752 29.6302 179.1991 49 L 3.7666 7.9736 120.4056 58.3250 42.0883 178.6149 50 M 3.8214 8.3976 118.3836 58.3683 32.1733 177.9389 51 A 3.6474 8.0240 120.7374 55.1199 18.5999 179.5394 52 A 3.9814 7.5864 118.8349 55.1361 18.3618 179.8779 53 I 3.5699 7.7594 118.3672 64.5871 37.0946 178.8014 54 V 3.3234 7.7118 118.9490 65.7736 31.0422 177.8751 55 A 3.6309 7.3604 119.0101 55.1692 18.5392 179.4019 56 L 3.9531 7.8259 117.4180 57.7252 41.4549 179.4237 57 E 4.0489 8.2219 117.5604 58.5906 29.4379 178.6316 58 A 4.1826 7.2878 120.0577 52.9332 18.4573 177.4219 59 L 4.0579 7.1967 118.4073 54.6897 41.7017 177.1320 60 K 4.4357 8.5872 122.7316 56.3052 32.8110 176.1948 61 E 4.6859 7.5561 115.7060 54.2889 32.5252 174.5853 62 H 4.3947 8.5259 117.3494 56.7965 29.4200 174.3145 63 A 4.6764 8.6912 122.3141 50.5323 23.7413 174.4206 64 E 4.6997 8.5578 118.2898 55.3035 30.9520 175.7001 65 V 4.6567 8.6707 125.4472 60.9055 34.8910 174.5786 66 I 4.5249 8.4701 127.9829 59.5625 39.4976 174.1583 67 L 4.5214 8.0832 130.6683 53.2822 43.8387 175.1628 68 S 5.1807 8.6158 123.9479 57.2743 64.9136 173.3963 69 T 5.1040 8.8408 119.1538 60.5400 71.0854 173.5048 70 D 5.4913 8.7589 125.0238 52.6467 40.0908 176.5794 71 S 4.3619 8.1218 115.6452 58.3668 63.0823 174.4300 72 Q 3.8220 8.7583 130.5607 59.2236 28.9416 177.2371 73 Y 4.2367 8.0825 120.1671 60.8338 38.8626 178.1780 74 V 3.6856 8.0181 119.0903 65.9234 31.5772 177.8283 75 R 2.0000 7.4060 118.3262 58.8820 29.5837 178.5186 76 Q 3.1275 7.6886 118.1626 58.2362 28.3214 178.9165 77 G 2.7557 7.2703 106.5498 47.5912 0.0000 175.7807 78 I 3.5288 7.3360 122.0358 63.6306 37.2001 178.0394 79 T 4.1736 7.3984 108.3443 62.2595 69.2776 175.3168 80 Q 4.1672 7.4550 118.7064 56.3415 31.4357 176.8958 81 W 3.8415 6.9131 116.1301 58.3397 29.8090 178.3699 82 I 3.3166 6.9324 120.0312 64.5905 36.1815 178.0793 83 H 4.0963 7.7171 115.2274 58.8210 28.3970 177.2348 84 N 4.2604 7.4220 118.5228 55.4321 38.4594 177.2570 85 W 4.1585 7.6763 120.5831 59.6601 29.0047 178.6199 86 K 3.4890 7.5665 118.2479 59.2320 31.2172 179.5255 87 K 4.0013 7.4371 117.4222 58.9862 32.3326 178.5301 88 R 4.4670 7.7906 116.4277 55.1279 29.9095 176.8931 89 G 3.9637 8.1677 106.2992 46.5123 0.0000 173.9868 90 W 3.4424 8.2176 116.2463 57.4800 27.1450 174.4299 91 K 5.0270 7.5047 114.3840 54.6834 35.3751 177.0700 92 T 4.2876 8.3798 112.4923 60.3099 70.4528 175.3484 93 A 3.9302 8.4586 123.5861 55.1658 18.3062 178.0058 94 D 4.5696 8.0078 112.9257 53.0875 39.6654 176.8066 95 K 3.9003 8.0539 117.3570 57.3594 30.2310 175.9669 96 K 4.3513 7.8117 118.4198 54.7430 33.0460 174.6409 97 P 4.7007 0.0000 0.0000 62.6150 32.1550 176.5395 98 V 3.3794 8.3126 123.3577 62.8152 32.5519 175.2219 99 K 4.0158 8.4286 128.3683 57.4104 32.8399 175.9193 100 N 4.4691 9.0843 123.6213 54.4268 36.2079 176.7850 101 V 3.6700 7.6521 121.0152 64.8903 30.7575 176.9522 102 D 4.2254 8.0193 119.1968 56.5785 39.0527 178.6877 103 L 3.9660 7.7498 120.1447 56.7995 41.7313 179.2672 104 W 4.4754 8.3093 119.1469 59.9612 29.0176 178.6269 105 Q 3.8291 8.2415 118.3721 58.7078 28.0736 178.6432 106 R 3.8963 7.9525 119.9362 59.1457 30.1038 178.3421 107 L 4.0200 8.4393 120.7730 58.2340 42.1848 178.4798 108 D 4.5372 8.5957 117.8887 57.3177 40.9400 178.1124 109 A 4.0673 8.0178 120.5208 55.0449 18.4704 179.2328 110 A 4.1327 8.0081 118.3947 55.2591 18.5739 178.6402 111 L 4.2356 8.9312 118.8427 55.3382 41.1988 179.3463 112 G 3.9617 6.5802 113.8917 46.1213 0.0000 173.6853 113 Q 4.3922 8.9424 121.5173 56.0279 30.0017 174.6962 114 H 5.0987 7.9506 113.8044 54.6552 32.8870 173.5795 115 Q 4.3919 8.8748 120.0822 55.0032 29.4809 174.5538 116 I 4.5419 8.1361 125.1149 59.1565 39.3788 175.2263 117 K 4.3369 8.6518 129.3566 54.5738 33.5204 175.0456 118 W 4.4070 8.5957 127.9824 55.8227 30.4025 175.9247 119 E 4.2279 8.6994 124.5231 54.4612 31.0700 175.6035 120 W 5.1290 8.4793 126.1509 55.9096 29.0185 176.7016 121 V 3.8550 8.6253 118.4523 60.7677 32.5151 176.2039 122 K 4.1912 8.9607 121.1754 56.7663 33.1964 178.3018 123 G 4.1647 7.4803 107.8492 43.9505 0.0000 172.7551 124 H 4.4592 8.5938 114.9324 58.0817 29.0064 176.1196 125 A 4.0574 8.0454 122.2300 54.0300 18.2061 177.4999 126 G 3.9417 9.2658 111.0064 46.0098 0.0000 173.4813 127 H 4.9155 8.2574 116.8370 52.3603 29.3541 172.1539 128 P 4.2294 0.0000 0.0000 65.8730 31.4856 178.6280 129 E 3.7596 7.7406 117.8203 58.9834 29.2470 178.8591 130 N 4.4381 8.0068 116.2122 56.2140 38.7175 176.8342 131 E 3.5177 8.1959 120.7972 59.2108 29.6007 178.9434 132 R 3.8820 8.1285 118.5269 59.1828 30.0528 178.3166 133 A 4.0435 8.3248 121.0309 55.1086 18.2964 179.0891 134 D 4.3223 8.3425 116.6057 57.5735 41.3492 178.2998 135 E 3.9659 8.3085 119.0700 59.3837 29.4690 179.3381 136 L 3.9785 8.2756 118.9939 57.7574 41.6971 179.4634 137 A 4.0880 8.2523 120.7492 55.3529 18.4151 179.9714 138 R 3.8919 8.3552 116.5872 59.2419 29.8753 179.1832 139 A 3.9965 7.9838 119.7042 55.0375 18.7011 179.2464 140 A 3.9963 8.1397 119.1659 55.1993 18.2108 179.7651 141 A 4.1669 8.0159 118.4155 55.1843 18.5256 179.0627 142 M 4.3246 7.6254 114.8378 56.3347 33.6533 176.7722 143 N 5.0239 7.5339 115.6356 51.1792 40.0239 172.2849 144 P 4.4216 0.0000 0.0000 62.5381 32.8662 177.2425 145 T 4.4200 8.1498 108.3832 61.3539 70.8739 174.0041 146 L 4.4516 7.6518 121.8835 52.9449 43.4412 174.6619 147 E 4.7364 8.4308 121.4103 54.9534 30.8090 176.2112 148 D 4.8025 8.6226 126.6745 53.0684 39.8787 176.2521 149 T 3.9689 8.3064 120.9732 65.9330 68.8805 175.8860 150 G 3.8169 8.0182 107.3563 46.0286 0.0000 173.1417 151 Y 4.1941 7.8081 122.3667 57.6107 39.2134 175.0563 152 Q 4.1331 7.4039 124.9649 53.2196 32.2988 175.3864 153 V 3.3473 7.7391 121.6045 64.3068 32.1417 175.4182 154 E 4.1094 8.8293 126.0175 56.5173 30.0759 173.8690 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 K 8.31 4.45 0.00 1.93 2.17 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.59 7.81 4 Q 7.82 4.37 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 5 V 9.48 4.51 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 0.96 0.00 0.00 0.50 0.00 0.00 6 E 9.08 4.83 0.00 2.01 1.58 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 2.16 2.25 0.00 7 I 8.19 4.94 1.60 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.57 0.83 0.00 0.00 8 F 9.24 5.41 0.00 2.95 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 9 T 8.81 5.34 4.34 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 1.29 0.00 0.00 10 D 9.16 4.86 0.00 2.88 2.60 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 11 G 8.56 4.77 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 12 S 8.96 5.06 0.00 3.91 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 13 A 8.98 5.04 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 14 L 8.97 4.51 0.00 1.48 1.68 0.92 0.93 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 15 G 7.43 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 0.00 0.00 0.00 16 N 8.60 5.01 0.00 2.63 2.74 0.00 0.00 6.66 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 17 P 0.00 4.99 0.00 1.61 1.30 0.00 3.88 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 18 G 8.47 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 0.00 0.00 0.00 19 P 0.00 5.02 0.00 2.21 1.98 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 20 G 9.27 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.07 4.70 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 0.00 0.00 0.00 22 Y 8.43 5.56 0.00 3.21 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 23 G 9.47 4.60 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 24 A 9.62 5.53 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 25 I 9.17 5.03 2.12 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 1.03 0.00 0.00 26 L 9.33 5.27 0.00 1.69 1.64 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 27 R 9.43 5.24 0.00 1.98 1.90 0.00 3.17 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 28 Y 9.40 5.00 0.00 2.93 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 29 R 8.99 3.22 0.00 0.79 1.41 0.00 3.14 0.00 0.00 3.06 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.47 0.00 30 G 7.96 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 0.00 0.00 0.00 31 R 7.88 4.61 0.00 1.91 1.84 0.00 3.23 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 32 E 8.40 5.32 0.00 1.94 1.77 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 2.20 2.33 0.00 33 K 9.28 4.67 0.00 1.84 1.64 0.00 1.89 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.79 1.24 7.81 34 T 8.08 5.19 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 1.26 0.00 0.00 35 F 9.11 5.00 0.00 3.10 3.15 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 36 S 9.01 4.91 0.00 3.85 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 37 A 7.04 4.40 0.97 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 0.00 0.00 38 G 8.36 4.42 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 0.00 39 Y 9.10 5.28 0.00 2.89 2.86 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 40 T 8.91 3.96 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 1.25 0.00 0.00 41 R 7.83 4.41 0.00 1.77 1.83 0.00 3.30 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.53 0.00 42 T 8.43 4.16 4.14 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 1.25 0.00 0.00 43 T 8.03 4.86 4.18 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 1.18 0.00 0.00 44 N 8.84 4.27 0.00 2.71 3.07 0.00 0.00 6.82 6.92 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 45 N 7.93 4.16 0.00 2.34 1.72 0.00 0.00 7.09 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 46 R 7.91 3.92 0.00 1.81 1.88 0.00 3.41 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 47 M 8.05 4.21 0.00 2.36 2.25 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.82 0.00 48 E 8.50 4.07 0.00 2.28 2.13 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 2.42 2.60 0.00 49 L 7.97 3.77 0.00 1.86 1.63 -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 50 M 8.40 3.82 0.00 2.05 1.97 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 2.12 2.60 0.00 51 A 8.02 3.65 1.55 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 0.00 0.00 52 A 7.59 3.98 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 53 I 7.76 3.57 1.88 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 1.37 0.76 0.83 0.00 0.00 54 V 7.71 3.32 1.60 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 0.82 0.00 0.00 0.67 0.00 0.00 55 A 7.36 3.63 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 56 L 7.83 3.95 0.00 1.67 1.84 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.22 4.05 0.00 1.80 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 2.31 2.42 0.00 58 A 7.29 4.18 1.01 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 0.00 0.00 59 L 7.20 4.06 0.00 1.68 1.54 0.51 0.79 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 60 K 8.59 4.44 0.00 1.74 1.84 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.37 7.81 61 E 7.56 4.69 0.00 1.94 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 2.12 2.24 0.00 62 H 8.53 4.39 0.00 3.02 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.69 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.56 4.70 0.00 1.89 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 2.30 2.27 0.00 65 V 8.67 4.66 1.80 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 0.70 0.00 0.00 0.68 0.00 0.00 66 I 8.47 4.52 1.67 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 0.99 0.87 0.76 0.00 0.00 67 L 8.08 4.52 0.00 0.99 0.57 0.48 0.73 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 68 S 8.62 5.18 0.00 3.66 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 69 T 8.84 5.10 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 70 D 8.76 5.49 0.00 2.96 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 71 S 8.12 4.36 0.00 4.08 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 72 Q 8.76 3.82 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.53 2.30 0.00 73 Y 8.08 4.24 0.00 3.18 3.18 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 74 V 8.02 3.69 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 1.14 0.00 0.00 1.04 0.00 0.00 75 R 7.41 2.00 0.00 0.67 1.31 0.00 2.47 0.00 0.00 2.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.50 0.00 76 Q 7.69 3.13 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 77 G 7.27 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 0.00 0.00 0.00 78 I 7.34 3.53 1.49 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 -0.21 0.47 0.00 0.00 79 T 7.40 4.17 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 1.06 0.00 0.00 80 Q 7.46 4.17 0.00 1.22 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 81 W 6.91 3.84 0.00 1.78 1.74 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 82 I 6.93 3.32 1.72 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.38 1.00 0.00 0.00 83 H 7.72 4.10 0.00 3.24 3.47 0.00 5.45 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 84 N 7.42 4.26 0.00 2.41 2.73 0.00 0.00 7.15 7.68 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 85 W 7.68 4.16 0.00 2.71 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 0.00 0.00 0.00 0.00 86 K 7.57 3.49 0.00 1.82 1.80 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.36 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.60 1.26 7.81 87 K 7.44 4.00 0.00 1.82 1.83 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.59 7.81 88 R 7.79 4.47 0.00 1.86 1.91 0.00 3.26 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 89 G 8.17 3.96 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 0.00 0.00 0.00 90 W 8.22 3.44 0.00 3.51 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 91 K 7.50 5.03 0.00 1.78 1.64 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.49 7.81 92 T 8.38 4.29 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 1.13 0.00 0.00 93 A 8.46 3.93 1.29 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 0.00 0.00 94 D 8.01 4.57 0.00 2.78 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 95 K 8.05 3.90 0.00 1.92 1.97 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.53 7.81 96 K 7.81 4.35 0.00 1.92 1.67 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.37 7.81 97 P 0.00 4.70 0.00 1.88 1.95 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 98 V 8.31 3.38 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 -0.61 0.00 0.00 -0.03 0.00 0.00 99 K 8.43 4.02 0.00 1.80 1.77 0.00 2.01 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.53 7.81 100 N 9.08 4.47 0.00 3.27 2.92 0.00 0.00 6.89 7.68 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 0.00 101 V 7.65 3.67 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 0.81 0.00 0.00 0.65 0.00 0.00 102 D 8.02 4.23 0.00 2.82 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 0.00 103 L 7.75 3.97 0.00 1.52 1.54 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 104 W 8.31 4.48 0.00 3.48 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 0.00 105 Q 8.24 3.83 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.95 3.90 0.00 1.95 2.01 0.00 3.06 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 107 L 8.44 4.02 0.00 1.84 2.00 1.10 1.22 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 0.00 108 D 8.60 4.54 0.00 3.25 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 0.00 109 A 8.02 4.07 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 0.00 110 A 8.01 4.13 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 0.00 111 L 8.93 4.24 0.00 2.02 1.68 1.23 1.26 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 0.00 112 G 6.58 3.96 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 0.00 0.00 0.00 113 Q 8.94 4.39 0.00 1.81 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.64 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 114 H 7.95 5.10 0.00 2.98 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.87 4.39 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 116 I 8.14 4.54 1.64 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 0.92 0.44 -0.31 0.00 0.00 117 K 8.65 4.34 0.00 1.70 1.53 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.34 7.81 118 W 8.60 4.41 0.00 2.40 1.74 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 0.00 119 E 8.70 4.23 0.00 1.73 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 2.13 2.09 0.00 120 W 8.48 5.13 0.00 3.19 3.08 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 0.00 121 V 8.63 3.86 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 0.76 0.00 0.00 1.00 0.00 0.00 122 K 8.96 4.19 0.00 1.79 1.80 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.47 7.81 123 G 7.48 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 0.00 0.00 0.00 124 H 8.59 4.46 0.00 3.25 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.05 4.06 1.29 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 0.00 0.00 126 G 9.27 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 0.00 0.00 0.00 127 H 8.26 4.92 0.00 3.40 3.44 0.00 5.82 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 0.00 128 P 0.00 4.23 0.00 2.17 2.25 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 129 E 7.74 3.76 0.00 1.16 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 1.52 2.03 0.00 130 N 8.01 4.44 0.00 3.05 3.00 0.00 0.00 6.78 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 0.00 131 E 8.20 3.52 0.00 1.90 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 2.24 2.29 0.00 132 R 8.13 3.88 0.00 1.95 1.99 0.00 3.13 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 133 A 8.32 4.04 1.57 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 0.00 134 D 8.34 4.32 0.00 3.10 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 0.00 135 E 8.31 3.97 0.00 2.22 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 2.33 2.51 0.00 136 L 8.28 3.98 0.00 1.92 1.74 0.99 1.07 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 0.00 137 A 8.25 4.09 1.47 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 0.00 0.00 138 R 8.36 3.89 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 139 A 7.98 4.00 1.34 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 0.00 0.00 140 A 8.14 4.00 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 0.00 141 A 8.02 4.17 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 0.00 142 M 7.63 4.32 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 143 N 7.53 5.02 0.00 2.63 2.66 0.00 0.00 6.98 8.37 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 0.00 144 P 0.00 4.42 0.00 2.16 2.10 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 145 T 8.15 4.42 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 1.15 0.00 0.00 146 L 7.65 4.45 0.00 0.81 1.34 0.46 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.43 4.74 0.00 1.96 1.91 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 2.31 2.35 0.00 148 D 8.62 4.80 0.00 2.70 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 0.00 149 T 8.31 3.97 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 1.24 0.00 0.00 150 G 8.02 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 0.00 151 Y 7.81 4.19 0.00 3.09 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 0.00 152 Q 7.40 4.13 0.00 1.78 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.10 2.30 0.00 153 V 7.74 3.35 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 0.77 0.00 0.00 0.93 0.00 0.00 154 E 8.83 4.11 0.00 2.09 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 2.13 2.27 0.00