NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2693 8.1727 120.1362 56.8368 34.8653 173.8174 2 V 4.6410 8.0699 121.3399 60.7999 32.5660 174.7219 3 F 4.4640 9.4548 127.8833 57.4132 40.2866 174.5369 4 E 4.1113 9.1692 122.7393 55.4955 30.8555 176.4337 5 R 3.2384 8.9637 123.8327 60.8359 29.9858 179.2749 6 C 4.3131 8.3055 115.4125 59.7433 35.7237 175.8210 7 E 3.9137 8.1082 121.3609 59.1137 29.1721 178.6543 8 L 3.6146 8.0594 120.1430 57.9598 42.1200 178.5142 9 A 3.9696 7.9141 120.7170 55.5531 18.2924 179.9213 10 R 3.9221 8.1104 116.3000 59.5542 30.2342 179.4946 11 T 3.9128 7.7944 115.5399 66.5584 68.4338 176.8555 12 L 3.8914 8.1632 121.3349 57.5583 41.7614 179.4412 13 K 3.9144 8.0002 119.6409 59.5779 31.9384 178.8840 14 R 4.0119 7.9702 117.7164 58.5215 29.9299 177.3079 15 L 4.5703 7.3466 116.9893 53.9113 42.0699 176.4718 16 G 3.8586 7.7656 105.6264 47.0009 0.0000 175.5919 17 M 3.7794 8.1260 122.1542 57.4494 32.4436 174.1052 18 D 4.6790 7.9640 118.3655 56.4051 40.2362 175.5586 19 G 3.9572 9.3018 113.7210 44.9319 0.0000 170.5865 20 Y 4.1090 8.5205 122.0505 58.8435 38.9143 176.4150 21 R 3.6443 9.0387 125.3210 57.1691 27.7781 177.2799 22 G 3.8768 8.3892 104.4872 45.5209 0.0000 174.0876 23 I 4.0338 7.8996 122.3859 59.5282 38.3635 175.9450 24 S 4.6190 8.1236 120.3572 57.8179 65.1382 174.9808 25 L 4.2151 8.6893 124.0169 58.4515 41.8091 179.0729 26 A 4.1431 8.0685 120.2459 55.2951 18.3358 179.2403 27 N 4.3550 7.9934 114.6150 56.2913 38.5479 177.7560 28 W 4.2563 7.8689 120.3785 59.9193 29.1001 178.5329 29 M 4.1893 8.8056 119.0986 58.5808 31.4622 177.9805 30 C 3.2311 8.3025 118.8763 59.0682 44.6788 175.2252 31 L 4.1419 8.2249 121.7660 58.4052 41.7322 178.9223 32 A 4.2780 8.3820 120.7287 54.8791 18.3230 179.3838 33 K 2.6933 8.1525 118.1246 59.3191 32.0837 178.9478 34 W 4.4113 7.9085 116.6176 58.5847 29.1595 178.1907 35 E 4.4560 8.2658 118.7417 58.3787 29.3259 177.4071 36 S 4.5438 7.9667 109.4550 56.6179 64.6239 174.5628 37 G 3.2782 8.2026 108.9172 46.9133 0.0000 173.5277 38 Y 3.6785 7.6936 113.5508 58.5215 35.4783 168.5728 39 N 5.2191 7.6031 119.6712 52.0698 39.3226 175.8193 40 T 4.1190 8.9863 117.5393 63.8575 69.0951 175.8721 41 R 4.5237 8.2974 119.9280 55.7814 30.7547 176.1232 42 A 4.3641 7.8148 122.0807 52.2674 19.3439 177.1335 43 T 5.0628 8.3643 111.3880 59.9152 72.3924 172.9297 44 N 4.8872 8.8032 122.1529 52.0117 42.0179 172.3270 45 Y 4.6561 8.7703 128.1701 57.3014 40.1613 174.5453 46 N 4.4956 8.8056 124.8761 51.1510 39.0096 175.1791 47 A 3.4720 8.2435 127.8922 54.8579 18.3017 178.6122 48 G 3.7342 7.6552 103.4605 48.3894 0.0000 173.4555 49 D 4.6526 7.7155 117.5994 51.6900 39.9656 176.7320 50 R 3.9729 7.7420 116.8569 57.3706 28.3391 176.1122 51 S 4.8709 8.0558 113.2873 57.7323 65.7021 172.9787 52 T 5.1279 8.9475 116.3898 61.9695 72.7340 172.7269 53 D 5.4211 8.8525 125.2412 53.2729 42.9863 175.0712 54 Y 5.0216 9.2050 121.5387 57.3576 41.3985 177.5438 55 G 4.2170 8.8618 111.6867 44.9665 0.0000 173.7577 56 I 4.1133 8.0843 116.8058 62.7730 37.8201 176.9420 57 F 4.9393 7.8716 115.7336 56.4687 40.0715 175.0625 58 Q 3.5846 7.9592 119.2672 57.0575 26.6431 174.1689 59 I 4.2580 8.1690 118.7783 60.8562 39.2394 177.0030 60 N 5.2953 9.1007 126.2736 53.6555 39.7935 175.4670 61 S 4.9283 9.0787 120.0676 59.6827 63.4147 175.1504 62 R 3.9257 8.8137 122.3823 58.5612 30.4941 177.4988 63 Y 4.3205 7.8899 114.8404 57.6017 40.1916 176.7808 64 W 4.8498 8.2107 118.6335 57.5991 31.7080 173.7126 65 C 5.6810 8.2952 112.2899 53.5281 45.2272 172.0271 66 N 5.2387 8.9104 118.8693 51.9167 40.1417 174.6388 67 D 4.7531 8.7807 124.0057 52.2571 40.2074 176.3216 68 G 3.9844 8.4026 106.4572 46.5986 0.0000 174.4266 69 K 4.5922 8.8013 115.0438 55.6590 34.0610 175.8593 70 T 4.5941 7.7933 116.2003 60.8695 68.8409 172.5873 71 P 4.2658 0.0000 0.0000 63.5345 31.9767 176.6991 72 G 3.9035 8.7695 108.8282 46.2799 0.0000 173.7098 73 A 4.0696 7.1974 120.4481 51.8973 18.8484 178.6083 74 V 3.9642 8.3220 120.3891 61.9177 33.8431 175.3204 75 N 4.1542 8.0939 117.0191 54.2783 36.9974 175.0364 76 A 3.9567 8.1118 121.0575 55.2527 18.9725 178.5532 77 C 4.4904 8.6685 111.7792 57.4273 41.1259 173.0506 78 H 4.0997 8.0567 116.6874 55.9744 26.4269 174.5236 79 L 4.6132 8.1984 119.2946 53.3690 46.0327 174.5549 80 S 4.5649 8.5429 119.9246 58.2054 63.1837 175.7209 81 C 4.2414 8.7583 124.8366 59.5690 39.4340 176.6066 82 S 3.9573 7.8601 116.7784 61.2026 62.1566 175.8673 83 A 4.9855 7.7106 123.0968 53.2428 17.9279 177.7730 84 L 4.5515 7.6814 117.0753 54.5871 41.9399 177.3634 85 L 5.1966 7.7402 117.2787 53.6538 42.6268 176.3995 86 Q 4.6063 7.7570 117.4918 54.4876 30.4416 176.6962 87 D 4.2783 8.5809 120.2376 57.1984 41.0991 176.6723 88 N 4.6031 8.0505 118.2286 53.1781 39.0558 174.4566 89 I 4.3126 8.4366 119.2090 61.0996 38.0656 177.0564 90 A 3.9639 8.3654 125.2806 55.8928 18.1965 180.2532 91 D 4.2662 8.0832 116.5581 57.4466 40.9240 178.6581 92 A 4.1052 8.0043 120.8200 55.2610 18.4584 179.7039 93 V 3.2450 8.3045 116.9282 65.9618 31.3540 178.1725 94 A 3.8589 7.9264 120.6236 55.0926 18.0969 178.8276 95 C 4.2842 8.1512 117.0815 59.5498 42.9514 175.4605 96 L 3.7815 8.0026 122.2418 58.0608 41.2921 179.1824 97 K 3.6719 7.4131 117.6534 58.9817 32.2070 179.0878 98 R 4.0391 7.3799 117.8666 59.1672 30.1896 178.4283 99 V 2.0000 7.5488 118.6902 65.5498 31.4134 178.4644 100 V 3.8722 7.8584 118.2215 64.3505 31.0620 177.6799 101 R 4.1707 7.5869 117.6151 57.2800 30.3170 176.0840 102 D 4.7350 7.5321 118.2188 53.5516 41.8419 175.4175 103 P 4.1926 0.0000 0.0000 66.0417 31.5002 177.6636 104 Q 4.2583 8.2744 113.3328 55.5370 30.2242 176.8156 105 G 4.1629 8.2452 109.5590 47.4894 0.0000 175.9050 106 I 4.0813 8.1248 120.3693 63.2945 37.9012 177.6231 107 R 4.3968 7.7261 117.5563 58.1170 29.9597 177.5599 108 A 3.8729 7.9670 121.1452 53.9560 18.5845 178.0101 109 W 4.6767 8.3237 116.7806 55.2763 29.5498 177.0328 110 V 3.7026 8.5457 124.5788 66.0976 30.9664 177.5091 111 A 4.0470 8.2997 120.1296 54.9177 18.2384 179.4196 112 W 4.0032 8.5780 126.4113 60.5950 30.6636 178.1941 113 R 3.6423 8.1222 116.9526 59.4706 29.6471 178.5687 114 N 4.3816 8.2237 115.0536 55.2556 38.6735 176.7337 115 R 4.0899 7.6866 115.9200 55.6464 31.6292 175.4616 116 C 4.4789 7.7639 115.4661 58.0017 42.5694 174.3566 117 Q 3.3972 6.2609 118.3669 57.4718 28.5405 176.4105 118 N 4.2396 8.7034 119.9309 53.6739 36.6097 173.8566 119 R 4.5464 7.3592 116.6427 53.7662 32.7773 175.0652 120 D 4.5336 8.4324 119.1644 54.5591 41.6139 176.1297 121 V 4.8265 8.3278 117.6598 61.2134 33.0529 177.5810 122 R 4.0309 8.5230 122.9006 59.2254 30.3723 179.1114 123 Q 3.9713 8.1712 115.7381 59.2386 28.6437 178.1164 124 Y 4.1860 7.6108 115.5159 60.0884 38.0086 177.2500 125 V 4.3965 7.6294 111.1486 60.6562 32.8554 175.4370 126 Q 4.0140 7.8336 120.6707 57.2826 28.7574 176.6208 127 G 3.9126 8.8682 110.2305 46.6701 0.0000 174.6357 128 C 4.5732 8.0003 116.5432 55.6465 41.2857 173.9098 129 G 3.8267 8.0900 107.0978 47.0986 0.0000 174.1151 130 V 4.0100 7.8278 116.8684 61.1463 32.0969 176.1503 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 K 8.17 4.27 0.00 1.70 2.19 0.00 1.13 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.15 7.81 2 V 8.07 4.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.96 0.00 0.00 3 F 9.45 4.46 0.00 2.82 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 4 E 9.17 4.11 0.00 2.03 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 0.00 2.29 2.40 0.00 5 R 8.96 3.24 0.00 1.94 1.86 0.00 3.47 0.00 0.00 3.47 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 6 C 8.31 4.31 0.00 3.16 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 7 E 8.11 3.91 0.00 2.01 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 0.00 2.57 2.38 0.00 8 L 8.06 3.61 0.00 1.61 1.39 0.66 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.91 3.97 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 10 R 8.11 3.92 0.00 2.04 2.00 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 11 T 7.79 3.91 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 12 L 8.16 3.89 0.00 1.62 1.60 0.95 0.71 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 13 K 8.00 3.91 0.00 1.95 1.96 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 R 7.97 4.01 0.00 1.88 2.20 0.00 3.30 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 L 7.35 4.57 0.00 1.70 1.53 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.77 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 0.00 0.00 0.00 17 M 8.13 3.78 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.87 0.00 18 D 7.96 4.68 0.00 2.73 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 19 G 9.30 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 20 Y 8.52 4.11 0.00 3.34 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 21 R 9.04 3.64 0.00 1.95 1.92 0.00 2.87 0.00 0.00 2.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.56 0.00 22 G 8.39 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 0.00 0.00 0.00 23 I 7.90 4.03 1.77 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.47 -0.67 0.00 0.00 24 S 8.12 4.62 0.00 4.06 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 25 L 8.69 4.22 0.00 2.02 1.79 1.05 1.12 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 26 A 8.07 4.14 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.99 4.36 0.00 2.61 2.52 0.00 0.00 7.02 8.80 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 28 W 7.87 4.26 0.00 3.47 2.98 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 29 M 8.81 4.19 0.00 2.17 2.44 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.93 0.00 30 C 8.30 3.23 0.00 2.46 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 31 L 8.22 4.14 0.00 1.95 2.01 -0.08 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.38 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.15 2.69 0.00 1.84 1.57 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.25 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.58 1.56 7.81 34 W 7.91 4.41 0.00 3.35 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 35 E 8.27 4.46 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.70 0.00 36 S 7.97 4.54 0.00 4.08 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 37 G 8.20 3.28 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 0.00 38 Y 7.69 3.68 0.00 3.25 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 39 N 7.60 5.22 0.00 2.81 2.85 0.00 0.00 6.99 6.91 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 40 T 8.99 4.12 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 41 R 8.30 4.52 0.00 1.98 2.02 0.00 3.18 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 42 A 7.81 4.36 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 43 T 8.36 5.06 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 1.29 0.00 0.00 44 N 8.80 4.89 0.00 2.84 2.74 0.00 0.00 6.73 6.94 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 45 Y 8.77 4.66 0.00 2.93 2.88 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 46 N 8.81 4.50 0.00 2.65 2.60 0.00 0.00 6.50 7.80 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 47 A 8.24 3.47 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 48 G 7.66 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.72 4.65 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 3.97 0.00 2.09 2.26 0.00 3.19 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 51 S 8.06 4.87 0.00 3.95 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 52 T 8.95 5.13 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 0.57 0.00 0.00 53 D 8.85 5.42 0.00 2.70 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 54 Y 9.20 5.02 0.00 3.00 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 55 G 8.86 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 0.00 0.00 0.00 0.00 56 I 8.08 4.11 1.62 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.29 -0.46 0.00 0.00 57 F 7.87 4.94 0.00 3.26 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 58 Q 7.96 3.58 0.00 2.55 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.73 0.00 59 I 8.17 4.26 2.09 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.99 1.07 0.00 0.00 60 N 9.10 5.30 0.00 3.04 3.00 0.00 0.00 6.98 7.44 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 61 S 9.08 4.93 0.00 4.07 4.37 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 62 R 8.81 3.93 0.00 1.74 1.73 0.00 2.78 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.26 0.00 63 Y 7.89 4.32 0.00 2.01 1.65 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 64 W 8.21 4.85 0.00 3.51 3.24 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 65 C 8.30 5.68 0.00 3.13 3.24 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 66 N 8.91 5.24 0.00 2.85 2.69 0.00 0.00 7.11 8.19 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 67 D 8.78 4.75 0.00 2.79 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 68 G 8.40 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 69 K 8.80 4.59 0.00 1.75 1.79 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.33 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.70 7.81 70 T 7.79 4.59 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 1.20 0.00 0.00 71 P 0.00 4.27 0.00 2.15 1.95 0.00 3.87 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 72 G 8.77 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 0.00 0.00 0.00 73 A 7.20 4.07 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 74 V 8.32 3.96 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 0.71 0.00 0.00 0.80 0.00 0.00 75 N 8.09 4.15 0.00 2.95 2.79 0.00 0.00 7.12 7.77 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 76 A 8.11 3.96 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 77 C 8.67 4.49 0.00 3.37 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 78 H 8.06 4.10 0.00 3.28 3.32 0.00 5.67 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.20 4.61 0.00 1.87 1.49 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.54 4.56 0.00 3.86 3.69 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 81 C 8.76 4.24 0.00 2.25 1.65 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 82 S 7.86 3.96 0.00 3.87 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 83 A 7.71 4.99 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 84 L 7.68 4.55 0.00 2.08 1.81 0.99 0.63 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 85 L 7.74 5.20 0.00 1.80 1.69 1.10 0.96 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 86 Q 7.76 4.61 0.00 2.32 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 87 D 8.58 4.28 0.00 2.63 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 88 N 8.05 4.60 0.00 2.70 2.76 0.00 0.00 6.93 7.94 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 89 I 8.44 4.31 1.82 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 1.60 0.99 0.96 0.00 0.00 90 A 8.37 3.96 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 91 D 8.08 4.27 0.00 2.95 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 92 A 8.00 4.11 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 3.24 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 0.68 0.00 0.00 0.96 0.00 0.00 94 A 7.93 3.86 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.15 4.28 0.00 3.06 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 96 L 8.00 3.78 0.00 1.32 1.32 -0.87 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.41 3.67 0.00 1.65 1.54 0.00 1.33 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.30 0.78 7.81 98 R 7.38 4.04 0.00 1.98 2.06 0.00 3.26 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 99 V 7.55 2.00 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 -0.37 0.00 0.00 -0.42 0.00 0.00 100 V 7.86 3.87 2.49 0.00 0.00 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 0.00 0.00 1.17 0.00 0.00 101 R 7.59 4.17 0.00 2.18 2.06 0.00 3.32 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 102 D 7.53 4.74 0.00 3.26 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 0.00 103 P 0.00 4.19 0.00 2.03 2.16 0.00 3.71 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 2.05 2.14 0.00 104 Q 8.27 4.26 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.82 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 105 G 8.25 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 0.00 106 I 8.12 4.08 1.21 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 -0.30 0.60 -0.13 0.00 0.00 107 R 7.73 4.40 0.00 2.22 2.07 0.00 3.33 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 108 A 7.97 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.32 4.68 0.00 3.69 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.55 3.70 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.00 0.00 0.00 111 A 8.30 4.05 1.61 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 0.00 112 W 8.58 4.00 0.00 3.49 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 0.00 113 R 8.12 3.64 0.00 2.17 2.00 0.00 3.30 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.16 0.00 114 N 8.22 4.38 0.00 2.56 2.72 0.00 0.00 6.93 8.52 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 0.00 115 R 7.69 4.09 0.00 0.67 0.66 0.00 2.73 0.00 0.00 2.77 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.00 116 C 7.76 4.48 0.00 1.61 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 0.00 117 Q 6.26 3.40 0.00 0.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.08 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 118 N 8.70 4.24 0.00 2.80 2.88 0.00 0.00 6.92 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 0.00 119 R 7.36 4.55 0.00 1.78 1.78 0.00 2.94 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 120 D 8.43 4.53 0.00 2.65 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 0.00 121 V 8.33 4.83 2.31 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 0.88 0.00 0.00 1.02 0.00 0.00 122 R 8.52 4.03 0.00 2.20 2.01 0.00 3.20 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 123 Q 8.17 3.97 0.00 1.96 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 124 Y 7.61 4.19 0.00 3.20 3.20 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 0.00 125 V 7.63 4.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.04 0.00 0.00 126 Q 7.83 4.01 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.40 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 127 G 8.87 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 0.00 128 C 8.00 4.57 0.00 3.04 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 0.00 129 G 8.09 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 0.00 0.00 0.00 130 V 7.83 4.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00