NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2810 8.2493 123.5720 52.1773 19.8255 175.4147 5 V 4.2297 7.3237 124.0169 59.9458 32.2828 169.4323 6 L 4.7978 8.4600 121.5281 54.0281 43.8728 175.3270 7 Y 4.6142 8.3927 115.0346 56.4939 40.2358 175.8254 8 K 4.4929 8.4093 122.7523 54.7661 35.1267 175.1526 9 S 5.1490 8.2767 116.0877 56.7500 65.2801 172.8419 10 N 4.9460 9.3580 123.7733 53.4487 41.7508 172.0582 11 H 4.3236 8.7153 123.2645 56.5501 29.8591 174.3814 12 N 4.9967 8.1184 116.2188 53.4766 44.4137 175.0459 13 V 4.1355 8.4899 120.4739 60.7646 32.6982 174.8832 14 V 4.8837 8.3236 123.2805 61.4757 33.2296 173.9757 15 Y 4.9768 8.4935 125.0831 56.5784 42.3249 174.2520 16 S 4.6044 8.6039 113.0313 57.9474 63.6708 172.6450 17 C 4.6831 8.7077 121.5564 57.6743 30.9119 173.1421 18 K 5.0457 8.1272 122.8531 54.7979 35.7204 175.0963 19 Y 5.2284 8.9971 119.7617 56.8956 43.1995 173.5071 20 H 5.3848 9.8409 119.3889 54.5701 31.1925 174.3488 21 I 5.2422 9.1530 123.6695 59.6321 40.8825 174.7281 22 V 5.3634 9.5465 125.8833 60.4437 35.4964 173.7578 23 W 5.5924 8.0648 121.9716 55.7414 31.5013 172.7714 24 C 5.4663 8.7275 117.2664 57.2532 32.0910 172.1532 25 P 4.9463 0.0000 0.0000 62.1562 32.5608 176.2801 26 K 3.9753 9.0386 123.5041 58.2383 32.4763 176.5695 27 Y 3.8411 9.2291 119.8383 58.3915 35.7918 170.7106 28 R 4.0442 8.1745 115.7712 56.8857 28.3662 176.4143 29 R 3.9109 7.9541 116.2389 57.2578 30.8688 178.0814 30 K 4.5549 8.4784 123.7564 55.7120 30.5077 177.3007 31 V 4.1519 7.3271 110.0645 61.5407 32.7303 177.9610 32 L 4.3371 7.6609 122.3361 53.3132 39.8391 175.7999 33 V 4.3781 7.4788 114.8170 60.6726 36.8560 174.9736 34 G 3.9627 8.6960 108.2516 46.4675 0.0000 175.1251 35 A 4.0965 8.6574 120.3243 55.0001 18.3258 179.9100 36 V 2.8703 7.6065 116.6567 65.8189 31.7912 177.4364 37 E 3.9020 8.3051 119.4119 59.7376 29.5858 178.6732 38 M 4.0797 7.7527 118.6323 58.3740 31.9462 178.7643 39 R 3.9313 8.1274 118.7447 59.3459 30.2797 178.0383 40 L 4.0300 7.9990 120.1015 58.3989 42.0167 179.1184 41 K 4.0034 7.9677 117.6729 59.5446 31.9016 179.1707 42 E 4.0085 8.1040 118.5481 59.3936 29.3423 179.3997 43 I 3.7425 8.0663 119.9683 64.4995 37.2134 178.3244 44 I 3.7981 8.1918 120.8867 64.7396 37.0354 178.3967 45 Q 4.0699 8.2576 118.5680 59.1617 28.3529 178.9073 46 E 4.0104 8.5887 119.8566 59.5275 29.6082 179.6823 47 V 3.6476 8.4093 118.4480 65.6740 31.5451 177.9550 48 A 4.0402 8.5491 121.2435 55.0441 18.1934 179.4049 49 K 3.7425 8.1017 116.8853 59.8628 31.9744 178.9492 50 E 3.9678 7.5284 117.2737 59.2489 29.5121 179.1459 51 L 3.8340 7.3892 115.4175 53.6096 44.4306 177.1779 52 R 3.4435 7.2765 115.4184 57.4315 27.9777 175.9910 53 V 4.3669 7.9240 116.3287 61.0069 34.0851 175.3672 54 E 4.4964 8.6581 127.5881 55.0516 31.4840 175.0594 55 I 4.4064 8.1404 125.3781 60.0666 37.7802 175.7512 56 I 3.9350 8.2868 128.7532 63.9936 37.5567 176.5621 57 E 4.7749 7.8738 121.1514 55.1282 33.1696 173.2540 58 M 5.3162 8.4295 124.7231 54.4230 35.5880 173.8407 59 Q 4.7669 9.1347 123.3321 54.9731 34.0630 173.1886 60 T 4.7599 8.4772 113.4634 59.2150 70.8025 174.1923 61 D 4.7873 7.4377 122.5376 53.2612 41.6218 175.3687 62 K 4.4775 8.3851 128.2215 57.2235 31.1631 177.8186 63 D 4.9921 7.5797 113.7764 52.7849 40.4719 174.7436 64 H 4.7829 7.5214 112.9835 55.5252 31.7969 172.1793 65 I 4.7126 7.8931 118.7933 59.3173 41.1043 173.1964 66 H 5.3068 9.0840 129.1482 54.3820 32.6715 172.4631 67 I 4.9265 8.7432 125.8505 59.3285 41.2779 173.8759 68 L 5.1405 9.0300 128.7669 53.3208 44.1410 174.9384 69 A 4.9770 8.8879 127.1326 50.2637 23.3016 174.0529 70 D 5.0749 9.0375 121.7005 53.2381 42.5808 175.1954 71 I 4.7327 9.2678 128.2487 59.0806 40.1434 175.2325 72 D 3.8794 8.1477 125.2839 53.2736 41.1393 175.1610 73 P 4.3827 0.0000 0.0000 64.7868 31.6063 177.7809 74 S 4.1142 8.5578 114.6866 61.6323 63.1070 175.9179 75 F 3.9394 8.3955 118.7698 60.0124 38.6941 176.7060 76 G 4.0671 8.1346 106.7385 45.1440 0.0000 174.9356 77 V 3.5603 8.1561 119.9098 64.6863 31.6213 178.2969 78 M 3.9051 7.8412 118.5409 58.2034 32.2006 177.9142 79 K 4.0189 8.0097 119.2636 59.3898 32.2872 178.4229 80 F 4.2433 7.8556 119.9989 61.1580 39.2417 177.3506 81 I 3.1863 7.9067 119.7354 64.1340 36.9239 178.5076 82 K 3.6846 8.1979 119.6097 59.7942 31.7833 179.6060 83 T 3.8050 7.5877 115.1739 66.4182 68.4305 176.7139 84 A 3.7783 7.7090 122.9581 54.9676 18.3072 179.9132 85 K 3.5283 7.6617 117.3624 59.0390 32.0712 179.9094 86 G 3.5599 8.2736 106.4743 47.6823 0.0000 175.6572 87 R 3.9076 8.1763 122.0366 59.2521 30.2074 178.8515 88 S 4.3053 8.1150 113.7948 61.3403 63.0437 176.2847 89 S 3.8967 8.5169 116.8980 61.1867 62.1580 176.2097 90 R 3.8724 7.8686 120.8977 59.3964 29.8422 178.6024 91 I 3.7477 7.8536 119.5997 64.5086 37.1833 178.5048 92 L 4.1666 8.4124 120.1855 57.8976 41.1697 179.8513 93 R 3.9679 7.8064 117.3763 59.0586 30.0316 178.5026 94 Q 4.1079 7.9685 118.8771 58.7632 29.1507 177.2777 95 E 4.3733 8.4025 118.2668 56.1128 30.1258 176.2486 96 F 4.6994 8.0246 118.0544 54.9642 41.4132 175.4937 97 N 4.4131 8.8989 125.0639 56.6976 37.3399 175.9725 98 H 4.5223 8.4374 115.3333 57.4332 28.5870 176.4709 99 L 4.1882 7.4639 120.1745 55.5443 42.0495 177.8066 100 K 4.1692 7.6563 118.9416 59.0031 32.7883 178.1575 101 T 4.1140 8.2730 109.4687 62.3314 69.3448 175.6116 102 K 4.6452 7.8637 123.5064 55.3144 30.8696 179.7035 103 L 4.2774 8.8690 127.5506 55.7642 42.4857 173.0453 104 P 4.1423 0.0000 0.0000 64.5426 30.5273 175.0052 105 T 4.5096 7.0471 102.9653 60.1559 71.6556 173.5175 106 L 3.5316 8.1320 124.1476 57.4925 42.1965 177.5572 107 W 5.2475 7.0183 116.0933 55.7430 30.9884 174.4988 108 T 4.6244 8.2277 109.3935 60.8214 70.5091 174.1487 109 N 4.8214 8.5685 119.0715 53.4596 38.6691 174.7275 110 S 4.8431 7.8269 112.2335 56.7536 65.4299 172.4321 111 C 5.0876 8.2582 117.8019 57.1316 32.8108 172.5308 112 F 4.8815 9.8734 122.3457 56.4821 41.6743 173.8425 113 I 5.0600 7.5905 125.7696 59.5286 40.5104 174.8354 114 S 4.6305 9.1646 121.2009 56.6568 65.6447 173.3222 115 T 4.2421 8.6864 117.5140 61.6335 69.7075 173.8879 116 V 4.3913 8.5391 123.1192 60.3014 34.0791 175.2748 117 G 4.1102 8.1625 118.5393 45.6214 0.0000 171.8163 118 G 4.0657 8.1666 108.7720 42.8373 0.0000 173.6301 119 A 3.9600 8.5669 124.1789 51.9648 18.7240 175.5090 120 P 4.7267 0.0000 0.0000 61.9939 32.7776 174.4608 121 L 4.6287 8.0166 120.9605 55.6162 44.8188 178.4186 122 N 4.4992 8.0557 116.1343 55.8762 37.5369 177.5008 123 V 3.5367 7.7036 121.0547 64.6998 31.2117 178.0289 124 V 3.8237 7.6926 118.3364 65.7954 31.5075 177.8230 125 K 3.8810 7.8809 116.8872 59.4731 31.6954 179.3128 126 Q 3.8750 8.1569 119.6477 59.1568 29.3176 177.0564 127 Y 4.1280 8.6971 121.6846 60.7374 38.8663 177.8405 128 I 3.5295 8.0933 120.9596 64.6710 37.1506 178.1735 129 E 4.1850 7.7921 116.7075 58.4628 29.2482 177.9483 130 N 4.3763 7.8482 118.0191 55.5536 39.1575 175.4555 131 Q 4.3048 7.4585 113.5609 56.1178 30.1053 175.5068 132 Q 4.0257 8.0892 121.4244 56.1224 29.4760 175.5127 133 N 4.4040 8.4635 121.5667 53.9686 39.5376 174.2225 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 4 A 8.25 4.28 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 5 V 7.32 4.23 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 0.63 0.00 0.00 0.90 0.00 0.00 6 L 8.46 4.80 0.00 1.77 1.71 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.39 4.61 0.00 2.78 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 8 K 8.41 4.49 0.00 1.00 1.26 0.00 1.63 0.00 0.00 1.56 0.00 0.00 3.15 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.23 7.81 9 S 8.28 5.15 0.00 3.84 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 10 N 9.36 4.95 0.00 3.06 2.98 0.00 0.00 6.72 8.60 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 11 H 8.72 4.32 0.00 3.31 3.27 0.00 6.00 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 12 N 8.12 5.00 0.00 2.77 2.82 0.00 0.00 6.86 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 13 V 8.49 4.14 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 1.01 0.00 0.00 1.11 0.00 0.00 14 V 8.32 4.88 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 0.93 0.00 0.00 1.18 0.00 0.00 15 Y 8.49 4.98 0.00 3.11 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.60 4.60 0.00 2.97 3.36 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 17 C 8.71 4.68 0.00 3.35 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 18 K 8.13 5.05 0.00 1.51 1.56 0.00 1.48 0.00 0.00 1.67 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.47 7.81 19 Y 9.00 5.23 0.00 2.85 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 20 H 9.84 5.38 0.00 3.30 3.43 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 9.15 5.24 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 1.14 0.00 0.00 22 V 9.55 5.36 2.21 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 1.03 0.00 0.00 1.01 0.00 0.00 23 W 8.06 5.59 0.00 3.33 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 24 C 8.73 5.47 0.00 2.98 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 25 P 0.00 4.95 0.00 2.29 1.97 0.00 3.86 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 26 K 9.04 3.98 0.00 1.67 1.36 0.00 1.44 0.00 0.00 1.39 0.00 0.00 2.83 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.41 0.40 7.81 27 Y 9.23 3.84 0.00 3.16 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 28 R 8.17 4.04 0.00 2.05 2.08 0.00 3.24 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 29 R 7.95 3.91 0.00 1.84 1.95 0.00 3.38 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 30 K 8.48 4.55 0.00 1.75 1.80 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.54 7.81 31 V 7.33 4.15 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 0.72 0.00 0.00 0.90 0.00 0.00 32 L 7.66 4.34 0.00 1.78 1.62 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.48 4.38 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 0.70 0.00 0.00 0.93 0.00 0.00 34 G 8.70 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 35 A 8.66 4.10 1.62 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 36 V 7.61 2.87 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 0.81 0.00 0.00 0.19 0.00 0.00 37 E 8.31 3.90 0.00 2.13 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 0.00 2.31 2.35 0.00 38 M 7.75 4.08 0.00 2.06 2.15 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 2.65 2.72 0.00 39 R 8.13 3.93 0.00 2.23 2.14 0.00 3.26 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.80 0.00 40 L 8.00 4.03 0.00 1.98 1.94 1.25 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.97 4.00 0.00 2.09 1.86 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.67 7.81 42 E 8.10 4.01 0.00 2.25 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 2.36 2.64 0.00 43 I 8.07 3.74 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.84 0.99 0.00 0.00 44 I 8.19 3.80 2.09 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.86 1.10 0.00 0.00 45 Q 8.26 4.07 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 46 E 8.59 4.01 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 2.61 2.50 0.00 47 V 8.41 3.65 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 1.03 0.00 0.00 0.97 0.00 0.00 48 A 8.55 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.10 3.74 0.00 1.98 1.87 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.27 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.70 7.81 50 E 7.53 3.97 0.00 2.10 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 2.38 2.40 0.00 51 L 7.39 3.83 0.00 1.54 1.43 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.28 3.44 0.00 1.33 1.73 0.00 3.13 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.38 0.00 53 V 7.92 4.37 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.42 0.00 0.00 54 E 8.66 4.50 0.00 1.93 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 2.22 2.24 0.00 55 I 8.14 4.41 1.85 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 1.30 0.83 0.93 0.00 0.00 56 I 8.29 3.94 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.43 0.90 0.00 0.00 57 E 7.87 4.77 0.00 2.01 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 0.00 2.32 2.32 0.00 58 M 8.43 5.32 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 59 Q 9.13 4.77 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 60 T 8.48 4.76 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 1.13 0.00 0.00 61 D 7.44 4.79 0.00 2.58 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 0.00 0.00 0.00 0.00 62 K 8.39 4.48 0.00 2.03 1.94 0.00 1.95 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.36 7.81 63 D 7.58 4.99 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.52 4.78 0.00 3.12 3.39 0.00 5.40 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.89 4.71 1.45 0.00 0.00 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 0.64 0.63 -0.72 0.00 0.00 66 H 9.08 5.31 0.00 3.20 3.08 0.00 5.58 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.74 4.93 1.87 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 1.02 0.36 0.97 0.00 0.00 68 L 9.03 5.14 0.00 1.75 1.51 0.75 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.89 4.98 1.10 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 70 D 9.04 5.07 0.00 2.84 2.53 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 71 I 9.27 4.73 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.44 0.87 0.00 0.00 72 D 8.15 3.88 0.00 2.79 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 73 P 0.00 4.38 0.00 2.11 2.07 0.00 2.36 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 74 S 8.56 4.11 0.00 3.70 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 75 F 8.40 3.94 0.00 3.01 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 76 G 8.13 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 77 V 8.16 3.56 1.10 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 0.61 0.00 0.00 0.53 0.00 0.00 78 M 7.84 3.91 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 79 K 8.01 4.02 0.00 1.88 1.94 0.00 2.08 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.54 7.81 80 F 7.86 4.24 0.00 3.17 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 81 I 7.91 3.19 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.74 0.60 0.00 0.00 82 K 8.20 3.68 0.00 1.63 1.74 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.56 7.81 83 T 7.59 3.81 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 1.19 0.00 0.00 84 A 7.71 3.78 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.66 3.53 0.00 1.22 1.28 0.00 0.61 0.00 0.00 0.84 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 86 G 8.27 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 3.91 0.00 2.04 1.95 0.00 3.17 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 88 S 8.12 4.31 0.00 4.45 4.31 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 89 S 8.52 3.90 0.00 3.97 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 0.00 90 R 7.87 3.87 0.00 1.90 1.92 0.00 3.32 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 91 I 7.85 3.75 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.60 0.99 0.00 0.00 92 L 8.41 4.17 0.00 1.67 1.56 0.95 0.93 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 93 R 7.81 3.97 0.00 1.86 1.95 0.00 2.99 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.00 94 Q 7.97 4.11 0.00 2.12 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 95 E 8.40 4.37 0.00 2.23 1.78 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 2.32 2.67 0.00 96 F 8.02 4.70 0.00 3.10 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 97 N 8.90 4.41 0.00 2.76 2.85 0.00 0.00 6.92 7.89 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 98 H 8.44 4.52 0.00 3.42 3.56 0.00 5.49 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 99 L 7.46 4.19 0.00 1.65 1.56 0.59 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 100 K 7.66 4.17 0.00 1.93 1.94 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.46 7.81 101 T 8.27 4.11 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 0.00 102 K 7.86 4.65 0.00 1.95 0.94 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.45 7.81 103 L 8.87 4.28 0.00 1.70 1.60 0.98 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.14 0.00 2.11 2.15 0.00 3.58 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 1.95 2.06 0.00 105 T 7.05 4.51 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 1.15 0.00 0.00 106 L 8.13 3.53 0.00 1.01 0.13 -0.17 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 W 7.02 5.25 0.00 3.21 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.23 4.62 4.27 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 1.26 0.00 0.00 109 N 8.57 4.82 0.00 2.73 2.85 0.00 0.00 6.49 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 0.00 110 S 7.83 4.84 0.00 3.83 3.74 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 0.00 111 C 8.26 5.09 0.00 3.09 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 0.00 112 F 9.87 4.88 0.00 3.18 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 0.00 113 I 7.59 5.06 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 0.92 0.00 0.00 114 S 9.16 4.63 0.00 3.84 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 0.00 115 T 8.69 4.24 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 0.98 0.00 0.00 116 V 8.54 4.39 1.96 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 0.74 0.00 0.00 0.84 0.00 0.00 117 G 8.16 4.11 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 0.00 0.00 0.00 118 G 8.17 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 0.00 119 A 8.57 3.96 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 0.00 120 P 0.00 4.73 0.00 2.18 2.12 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 121 L 8.02 4.63 0.00 1.67 1.61 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.06 4.50 0.00 2.93 3.06 0.00 0.00 5.79 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 0.00 123 V 7.70 3.54 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.19 0.00 0.00 124 V 7.69 3.82 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 1.17 0.00 0.00 0.91 0.00 0.00 125 K 7.88 3.88 0.00 2.01 1.86 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.67 7.81 126 Q 8.16 3.87 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 127 Y 8.70 4.13 0.00 2.98 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 0.00 128 I 8.09 3.53 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.76 0.93 0.00 0.00 129 E 7.79 4.19 0.00 2.03 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 2.66 2.64 0.00 130 N 7.85 4.38 0.00 2.53 2.68 0.00 0.00 7.05 6.65 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 0.00 131 Q 7.46 4.30 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 132 Q 8.09 4.03 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 133 N 8.46 4.40 0.00 2.68 2.61 0.00 0.00 6.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00