NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9560 8.3549 109.7370 45.4854 0.0000 172.5442 2 L 4.3020 8.0749 118.5033 51.2946 43.0618 175.8235 3 S 4.4783 9.5647 119.2169 57.9164 66.1309 174.9713 4 D 4.6528 8.7733 121.9651 57.6538 40.5204 179.3688 5 G 3.6761 8.1073 105.5819 47.8892 0.0000 175.4278 6 E 3.9221 8.2437 121.0527 58.9344 29.4171 179.4750 7 W 4.3540 8.2505 119.0840 59.8055 29.0930 178.2928 8 Q 4.0682 8.4321 119.5562 59.3252 28.4025 178.4318 9 Q 4.0454 8.1659 119.0692 58.8902 28.7103 178.7636 10 V 3.6955 8.0636 119.3814 66.3592 31.3914 178.1570 11 L 4.2168 8.1310 116.9034 57.2711 41.5931 178.7790 12 N 4.4923 8.4295 117.5520 56.6922 38.9938 176.9567 13 V 3.5832 8.1680 119.9945 65.9320 31.5831 177.7749 14 W 4.1780 8.7124 128.1902 60.2477 30.0042 178.0181 15 G 3.6615 7.9352 105.9242 47.6417 0.0000 175.8199 16 K 3.8597 7.6052 119.9075 59.2291 32.2982 179.2573 17 V 2.8190 6.9863 117.9329 65.6867 31.1408 177.7803 18 E 3.8587 7.5197 116.5365 58.7422 29.2654 178.7910 19 A 4.2019 7.2973 119.6230 53.9025 19.8229 177.6566 20 D 4.6988 7.8105 116.7747 52.0938 42.7019 175.3821 21 I 3.6380 7.8554 117.9335 63.6623 38.0038 178.2249 22 A 4.0561 7.9605 122.3990 54.5787 18.2868 179.7300 23 G 3.6354 8.2006 105.6182 47.7536 0.0000 175.7145 24 H 4.1389 8.3124 119.1484 58.3487 28.7007 178.1976 25 G 3.5316 8.3604 107.8770 47.6949 0.0000 175.3410 26 Q 3.8497 8.2590 122.6349 59.1301 28.9947 178.5480 27 E 3.8623 8.0720 119.4132 59.1115 29.4067 179.5437 28 V 3.5096 7.8709 118.4600 66.0577 31.5523 178.1865 29 L 3.4431 7.6815 118.6469 57.5313 41.2675 179.5609 30 I 3.5854 7.7360 120.0728 64.1637 37.0197 178.3835 31 R 3.7768 8.0670 119.7763 59.2195 29.9264 178.2376 32 L 3.9455 7.7655 119.9661 58.4191 41.6396 179.0894 33 F 4.6003 8.1563 118.2732 60.7154 38.5852 177.8587 34 T 4.1065 8.1099 109.0656 64.5798 68.8876 176.9493 35 G 3.6225 7.9582 107.6752 46.3598 0.0000 173.6771 36 H 4.7775 8.0220 117.5841 52.0061 29.7023 171.8837 37 P 4.4536 0.0000 0.0000 64.4688 31.3408 177.5142 38 E 4.1001 8.2632 116.3564 59.4947 29.4092 179.1687 39 T 3.8211 8.2313 111.3303 64.4759 68.7854 176.3317 40 L 3.4652 7.8149 123.0403 57.8548 41.8015 178.6332 41 E 4.1059 7.8352 117.2985 58.4684 29.4612 178.6715 42 K 4.4683 7.9998 117.4649 56.9520 32.8910 177.4116 43 F 4.5997 8.1789 119.1533 55.3655 39.6946 175.4435 44 D 4.4109 8.5552 125.0416 57.1104 40.8999 178.8892 45 K 4.2503 7.8447 114.9394 57.6471 33.1961 176.9741 46 F 5.0874 7.9763 117.5677 57.1012 40.3364 177.0822 47 K 3.9497 7.7170 119.7682 59.5042 31.9137 177.8543 48 H 4.3395 8.1312 112.5062 57.1759 28.8507 175.6088 49 L 4.2656 7.3687 120.4195 54.5203 39.9066 176.5876 50 K 4.3329 8.6895 123.0843 56.9952 33.0927 177.7268 51 T 4.7364 7.2748 108.6986 58.8473 73.2770 174.1292 52 E 3.9113 8.7037 121.8009 59.2444 29.6921 178.7642 53 A 3.9791 8.0077 120.4549 55.3606 18.2248 179.2810 54 E 3.9448 7.9833 115.6403 59.7337 29.9231 179.1854 55 M 4.1563 8.0020 118.6598 58.4945 31.8461 179.0486 56 K 3.9765 8.3556 117.3535 59.0770 32.3003 178.5894 57 A 4.4371 7.8682 118.7342 52.0104 18.8525 177.1861 58 S 4.3478 7.5378 113.2647 57.4595 62.4915 174.6635 59 E 4.0444 8.8086 128.8560 59.3355 29.1874 178.6945 60 D 4.4535 8.1778 117.9355 57.0121 41.2769 177.8278 61 L 3.7197 8.1454 121.1997 57.9330 42.0366 179.1110 62 K 3.9168 7.8352 118.6039 59.1802 31.9769 179.0838 63 K 3.9187 8.2485 119.9507 60.0226 32.0751 178.3096 64 H 4.3967 8.8421 118.8305 59.1335 29.7649 177.2507 65 G 3.6729 8.4790 107.9978 48.2075 0.0000 175.7351 66 T 3.8901 8.0875 118.0275 66.3027 68.4603 176.9119 67 V 3.6064 7.8236 120.1517 65.9256 31.5758 178.2188 68 V 3.5955 8.0411 118.2147 66.2586 31.4055 178.1113 69 L 4.2905 8.1906 118.5290 57.7933 41.4463 179.6585 70 T 3.9969 8.2613 115.9810 66.4648 68.3733 176.5289 71 A 3.9953 8.0694 122.7245 55.1170 18.4232 179.4120 72 L 3.7050 8.1142 119.0391 58.0991 42.1120 179.3743 73 G 3.1201 8.4851 106.1758 47.4645 0.0000 175.7888 74 G 3.6297 7.8279 107.1098 47.5539 0.0000 175.5291 75 I 3.8347 7.5479 122.2011 64.1729 37.1617 178.5544 76 L 3.9552 7.8683 120.1170 57.6539 41.1718 179.5313 77 K 3.9792 7.6351 116.7117 58.2105 32.2515 178.6055 78 K 3.9714 7.8324 118.3624 55.8480 32.5090 176.6051 79 K 2.0000 8.2864 118.1732 56.3123 29.8127 175.8914 80 G 3.9134 7.9005 106.4483 45.7801 0.0000 174.0980 81 H 4.5470 7.3549 119.1670 55.3089 27.4534 174.8784 82 H 5.4616 7.3513 110.8317 54.0537 29.8666 175.8005 83 E 3.9181 8.6543 122.2031 60.2841 28.9971 178.7719 84 A 3.9923 7.9193 118.4278 55.1119 18.8130 178.9433 85 E 4.1059 8.0885 116.7460 59.1321 29.6802 178.8536 86 L 4.0094 8.3947 120.7314 57.4449 42.2321 178.3670 87 K 3.8275 8.2431 120.1947 59.2778 32.0148 176.8345 88 P 4.2416 0.0000 0.0000 65.7644 31.0429 178.0676 89 L 3.9931 7.4896 117.4242 57.8711 42.0592 178.7553 90 A 4.0543 8.2183 120.9349 55.4282 18.2699 179.7142 91 Q 3.9394 8.3727 116.9504 58.9568 28.7570 179.0426 92 S 3.9978 8.4437 115.7804 61.7979 63.0446 176.3512 93 H 4.1607 8.6436 119.6819 58.0668 27.9386 177.7408 94 A 2.5800 7.8512 122.6949 54.8827 18.0487 179.7601 95 T 3.7432 7.4505 112.6785 65.4316 68.7587 176.2658 96 K 4.0631 7.4583 120.0965 58.7614 32.7788 177.1359 97 H 4.4000 7.7916 113.3532 55.6788 29.4717 175.2735 98 K 3.6997 7.4456 116.6992 56.3988 28.9271 176.5659 99 I 4.3083 7.9102 119.6528 59.0096 37.8139 175.0313 100 P 4.5889 0.0000 0.0000 62.1585 32.0209 177.6625 101 I 3.6153 8.5758 120.4644 64.0795 37.6500 177.9025 102 K 3.5626 8.0316 120.1383 59.9786 31.8081 178.0493 103 Y 4.1876 7.9695 116.5460 60.8107 37.7479 178.2342 104 L 4.1972 7.8473 119.8643 57.3996 41.7605 178.8302 105 E 3.9433 8.0759 119.4821 59.3060 29.6022 178.6965 106 F 4.5201 8.1233 118.0430 61.0128 39.0509 177.6477 107 I 3.8694 8.1966 117.9314 63.8659 37.8406 178.1333 108 S 4.2233 8.3068 116.3710 61.7793 62.7155 176.2858 109 D 4.4761 8.4551 121.3513 57.3849 40.4661 178.7280 110 A 4.0647 8.2777 121.3185 55.1774 18.3350 179.7581 111 I 3.6743 7.9606 118.2843 64.6111 37.3256 178.6699 112 I 3.8673 7.7352 120.1509 64.6585 36.8730 177.9089 113 H 4.1706 8.4733 119.0494 59.4577 29.6462 177.5356 114 V 3.5498 8.1828 120.2756 65.7661 31.3937 177.9570 115 L 3.8183 7.9865 118.8985 58.1025 41.1339 179.2513 116 H 4.3818 7.9135 114.6372 58.9332 28.7137 177.5444 117 S 4.1727 8.1416 114.4054 61.0336 62.3125 175.7723 118 K 4.1350 8.0882 119.7002 57.4090 33.1890 176.5419 119 H 4.9799 7.9809 116.2299 53.8992 29.4554 171.9255 120 P 4.5447 0.0000 0.0000 64.0783 31.9890 177.4485 121 G 3.9882 9.1496 110.4408 45.6800 0.0000 173.0212 122 D 4.9476 8.3846 117.8615 53.6716 41.6065 175.9079 123 F 4.9766 8.0346 120.1260 55.0734 39.5392 174.9114 124 G 3.8408 8.1196 113.0763 43.2775 0.0000 170.9219 125 A 3.9293 8.3428 121.7399 54.9301 18.2780 179.6090 126 D 4.2165 7.9819 116.9670 56.5834 39.4437 178.5399 127 A 3.9890 7.8158 121.9834 54.7242 18.3995 179.1384 128 Q 3.5726 7.9601 118.5708 58.9817 29.0373 178.5921 129 G 3.6067 8.0228 106.4670 47.8328 0.0000 175.4586 130 A 3.8574 8.0184 123.6081 54.9544 18.4271 179.3579 131 M 4.0356 8.3208 116.9516 59.0467 32.2098 178.4564 132 T 3.8981 8.2237 116.0874 66.6831 68.6188 176.5623 133 K 3.9806 8.0927 120.0156 59.5124 32.0646 179.2572 134 A 3.8545 7.9214 120.8674 55.1418 18.2249 179.7527 135 L 4.1016 8.1912 117.6098 57.8544 41.6094 179.5848 136 E 3.9971 8.5611 119.0425 59.1476 29.3096 179.0670 137 L 3.9690 8.1866 120.5575 58.0287 42.2192 178.5534 138 F 4.1493 8.3502 120.5883 61.5852 39.2503 177.0614 139 R 3.5492 8.3025 118.2036 59.3643 29.8473 178.0110 140 N 4.2609 8.5350 117.2790 56.7087 38.8267 176.7189 141 D 4.3578 8.3227 120.5813 57.1662 40.7835 178.7683 142 I 3.4486 7.5201 120.2016 64.1763 36.9328 178.1387 143 A 3.7572 8.0394 121.7117 55.1232 18.1371 179.5127 144 A 3.9364 7.9466 119.1405 55.3207 18.5637 180.0800 145 K 4.0232 7.8572 117.1381 59.7228 32.0876 179.1925 146 Y 4.2864 8.5214 117.5279 61.0333 37.8192 178.6189 147 K 3.9825 8.5364 120.7979 59.4803 32.0838 178.3679 148 E 3.9897 8.0054 117.8278 59.7425 29.6099 179.1449 149 L 4.2828 7.8477 115.6096 54.8098 41.8401 177.6314 150 G 3.8877 7.8074 106.6829 46.2258 0.0000 173.1829 151 F 4.5142 8.1960 121.6902 57.1130 40.2620 174.5692 152 Q 4.0578 7.4528 124.8662 56.8132 30.9869 175.7415 153 G 3.3411 6.6261 109.0771 45.9288 0.0000 172.8229 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 G 8.35 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 2 L 8.07 4.30 0.00 0.54 0.69 0.49 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.56 4.48 0.00 4.04 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 4 D 8.77 4.65 0.00 2.77 2.84 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 5 G 8.11 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 6 E 8.24 3.92 0.00 2.01 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 2.23 2.27 0.00 7 W 8.25 4.35 0.00 3.51 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 8 Q 8.43 4.07 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.17 4.05 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 10 V 8.06 3.70 2.50 0.00 0.00 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 0.88 0.00 0.00 11 L 8.13 4.22 0.00 1.77 1.81 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.43 4.49 0.00 2.93 3.02 0.00 0.00 6.67 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 13 V 8.17 3.58 2.38 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 0.82 0.00 0.00 1.20 0.00 0.00 14 W 8.71 4.18 0.00 3.62 3.25 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 0.00 15 G 7.94 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.61 3.86 0.00 1.51 1.50 0.00 1.42 0.00 0.00 1.25 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.33 1.40 7.81 17 V 6.99 2.82 0.67 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 0.08 0.00 0.00 0.20 0.00 0.00 18 E 7.52 3.86 0.00 1.85 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 2.29 2.11 0.00 19 A 7.30 4.20 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 20 D 7.81 4.70 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.64 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 0.80 0.00 0.00 22 A 7.96 4.06 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 23 G 8.20 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 0.00 0.00 0.00 24 H 8.31 4.14 0.00 3.16 3.23 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.36 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.26 3.85 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 27 E 8.07 3.86 0.00 1.97 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 2.25 2.38 0.00 28 V 7.87 3.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.96 0.00 0.00 29 L 7.68 3.44 0.00 1.34 0.75 0.80 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.74 3.59 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.57 0.87 0.00 0.00 31 R 8.07 3.78 0.00 1.93 2.08 0.00 3.04 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 32 L 7.77 3.95 0.00 1.80 1.48 1.08 0.99 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 33 F 8.16 4.60 0.00 2.98 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 34 T 8.11 4.11 4.21 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 1.23 0.00 0.00 35 G 7.96 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 36 H 8.02 4.78 0.00 3.06 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.87 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 4.45 0.00 2.15 2.10 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.26 4.10 0.00 2.29 2.30 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 2.20 2.55 0.00 39 T 8.23 3.82 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 0.78 0.00 0.00 40 L 7.81 3.47 0.00 1.41 1.71 -0.13 1.30 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 41 E 7.84 4.11 0.00 2.18 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 2.37 2.53 0.00 42 K 8.00 4.47 0.00 2.00 1.79 0.00 1.95 0.00 0.00 1.81 0.00 0.00 3.23 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.77 1.99 7.81 43 F 8.18 4.60 0.00 3.29 2.95 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 0.00 0.00 0.00 44 D 8.56 4.41 0.00 2.68 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 45 K 7.84 4.25 0.00 1.62 1.74 0.00 1.34 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.93 0.21 7.81 46 F 7.98 5.09 0.00 2.83 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 47 K 7.72 3.95 0.00 1.98 1.91 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.25 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.60 1.66 7.81 48 H 8.13 4.34 0.00 3.29 3.44 0.00 5.52 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 49 L 7.37 4.27 0.00 1.65 1.61 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.69 4.33 0.00 1.77 1.84 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.51 7.81 51 T 7.27 4.74 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 1.20 0.00 0.00 52 E 8.70 3.91 0.00 2.04 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 2.35 0.00 53 A 8.01 3.98 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 54 E 7.98 3.94 0.00 2.15 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 2.36 2.35 0.00 55 M 8.00 4.16 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 56 K 8.36 3.98 0.00 1.80 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.57 7.81 57 A 7.87 4.44 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 58 S 7.54 4.35 0.00 4.05 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 59 E 8.81 4.04 0.00 2.06 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 2.42 2.32 0.00 60 D 8.18 4.45 0.00 2.91 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 61 L 8.15 3.72 0.00 1.45 1.68 0.66 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.84 3.92 0.00 1.97 1.84 0.00 1.90 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.56 7.81 63 K 8.25 3.92 0.00 1.99 2.13 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.84 4.40 0.00 3.64 3.55 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.48 3.67 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 0.00 0.00 0.00 66 T 8.09 3.89 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 1.23 0.00 0.00 67 V 7.82 3.61 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 1.05 0.00 0.00 0.99 0.00 0.00 68 V 8.04 3.60 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 1.06 0.00 0.00 0.99 0.00 0.00 69 L 8.19 4.29 0.00 1.80 1.87 0.83 0.76 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 70 T 8.26 4.00 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 1.26 0.00 0.00 71 A 8.07 4.00 1.45 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 0.00 0.00 0.00 72 L 8.11 3.70 0.00 1.59 1.75 -0.05 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.49 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 0.00 0.00 0.00 74 G 7.83 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 0.00 0.00 0.00 75 I 7.55 3.83 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.63 0.94 0.00 0.00 76 L 7.87 3.96 0.00 1.22 1.53 0.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.64 3.98 0.00 1.63 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.45 7.81 78 K 7.83 3.97 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.74 7.81 79 K 8.29 2.00 0.00 1.18 0.74 0.00 1.49 0.00 0.00 1.41 0.00 0.00 2.67 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.43 0.73 7.81 80 G 7.90 3.91 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 0.00 0.00 0.00 81 H 7.35 4.55 0.00 3.18 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.35 5.46 0.00 3.26 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.65 3.92 0.00 2.12 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 2.40 2.48 0.00 84 A 7.92 3.99 1.31 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 0.00 0.00 85 E 8.09 4.11 0.00 2.23 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 2.39 2.42 0.00 86 L 8.39 4.01 0.00 1.68 1.71 0.74 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.24 3.83 0.00 2.07 1.82 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.24 0.00 2.32 2.31 0.00 3.69 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 2.27 2.11 0.00 89 L 7.49 3.99 0.00 1.91 1.90 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.22 4.05 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 91 Q 8.37 3.94 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 92 S 8.44 4.00 0.00 3.94 4.19 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 93 H 8.64 4.16 0.00 3.49 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.85 2.58 0.27 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 95 T 7.45 3.74 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 1.11 0.00 0.00 96 K 7.46 4.06 0.00 1.53 1.60 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.18 1.34 7.81 97 H 7.79 4.40 0.00 3.04 3.14 0.00 5.86 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 98 K 7.45 3.70 0.00 1.95 2.00 0.00 1.85 0.00 0.00 2.40 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.35 7.81 99 I 7.91 4.31 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.98 1.19 0.00 0.00 100 P 0.00 4.59 0.00 1.75 1.83 0.00 2.58 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 1.03 1.70 0.00 101 I 8.58 3.62 1.88 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.10 0.88 0.00 0.00 102 K 8.03 3.56 0.00 1.74 1.62 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 0.47 7.81 103 Y 7.97 4.19 0.00 3.22 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 0.00 104 L 7.85 4.20 0.00 1.85 1.72 1.04 0.95 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 0.00 105 E 8.08 3.94 0.00 1.99 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 2.39 2.38 0.00 106 F 8.12 4.52 0.00 3.27 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 0.00 107 I 8.20 3.87 2.04 0.00 0.00 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 1.60 1.40 1.12 0.00 0.00 108 S 8.31 4.22 0.00 4.19 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.46 4.48 0.00 3.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.28 4.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.96 3.67 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 1.00 0.00 0.00 112 I 7.74 3.87 2.14 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 1.14 0.00 0.00 113 H 8.47 4.17 0.00 3.32 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.18 3.55 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 0.99 0.00 0.00 1.00 0.00 0.00 115 L 7.99 3.82 0.00 1.28 0.52 0.51 0.60 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 0.00 116 H 7.91 4.38 0.00 3.37 3.38 0.00 5.66 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 0.00 117 S 8.14 4.17 0.00 3.75 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 8.09 4.14 0.00 1.57 1.46 0.00 1.61 0.00 0.00 1.24 0.00 0.00 2.57 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.26 1.45 7.81 119 H 7.98 4.98 0.00 3.24 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.54 0.00 2.19 2.08 0.00 3.79 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 1.99 1.95 0.00 121 G 9.15 3.99 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 0.00 0.00 0.00 122 D 8.38 4.95 0.00 2.62 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 0.00 123 F 8.03 4.98 0.00 2.77 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 0.00 124 G 8.12 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 0.00 125 A 8.34 3.93 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 0.00 126 D 7.98 4.22 0.00 2.93 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 0.00 127 A 7.82 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.96 3.57 0.00 1.19 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 129 G 8.02 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.02 3.86 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 0.00 131 M 8.32 4.04 0.00 2.41 2.31 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 2.73 2.79 0.00 132 T 8.22 3.90 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 1.23 0.00 0.00 133 K 8.09 3.98 0.00 1.80 1.67 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 134 A 7.92 3.85 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 0.00 135 L 8.19 4.10 0.00 1.89 1.83 1.04 0.72 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 0.00 136 E 8.56 4.00 0.00 2.15 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 2.35 2.47 0.00 137 L 8.19 3.97 0.00 1.88 1.96 0.99 1.02 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 0.00 138 F 8.35 4.15 0.00 3.12 3.30 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 0.00 139 R 8.30 3.55 0.00 2.08 2.05 0.00 3.18 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 140 N 8.54 4.26 0.00 2.87 2.78 0.00 0.00 7.24 8.03 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 0.00 141 D 8.32 4.36 0.00 2.77 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 0.00 142 I 7.52 3.45 1.47 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.23 0.17 0.00 0.00 143 A 8.04 3.76 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 0.00 144 A 7.95 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.86 4.02 0.00 1.95 1.93 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.62 7.81 146 Y 8.52 4.29 0.00 3.15 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 0.00 147 K 8.54 3.98 0.00 1.85 1.99 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 8.01 3.99 0.00 2.24 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 2.37 2.66 0.00 149 L 7.85 4.28 0.00 1.81 1.70 0.88 0.77 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 0.00 150 G 7.81 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 0.00 151 F 8.20 4.51 0.00 2.74 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 0.00 152 Q 7.45 4.06 0.00 1.73 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 153 G 6.63 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 0.00 0.00 0.00