NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4500 8.3044 118.1955 55.3418 32.5834 174.1992 1 V 4.2144 7.8554 117.8324 61.1368 34.1897 172.3986 2 L 4.4145 8.2983 127.4751 53.7623 43.8526 176.7071 3 S 4.5735 8.6766 117.2848 57.6405 65.5535 175.1319 4 E 4.3060 8.7760 122.0525 59.3036 29.1259 178.9115 5 G 3.6363 8.0745 105.6143 47.7318 0.0000 175.4781 6 E 3.9379 7.9381 120.9398 58.9841 29.3778 179.4719 7 W 4.3421 8.0871 118.9991 59.8231 29.0843 178.6503 8 Q 4.1310 8.3180 118.2256 58.8556 27.9848 178.7288 9 L 4.0892 7.7915 120.1450 57.6454 41.6727 179.7276 10 V 3.7503 7.8229 117.9769 66.2290 31.7422 178.2130 11 L 4.2761 8.5245 118.7698 57.5843 41.1809 179.0389 12 H 4.3116 8.2925 118.3684 59.1888 30.1620 177.3593 13 V 3.7103 7.7888 121.2855 64.4706 31.3743 178.1524 14 W 3.9507 8.5702 128.7943 60.0669 30.2535 177.7873 15 A 4.0166 7.8093 119.7970 54.8596 18.0245 179.5295 16 K 3.9389 7.8144 117.1419 59.5621 32.1561 179.5875 17 V 2.8488 7.1787 117.9308 65.8445 31.0109 177.4683 18 E 3.9037 7.6030 116.0600 58.1614 29.3188 178.5732 19 A 4.2390 7.5069 120.5305 53.7118 19.9698 177.5553 20 D 4.6259 7.7692 116.8170 51.8923 42.4823 175.5380 21 V 3.4524 8.0442 123.0186 65.3990 32.0482 176.7830 22 A 4.0720 7.9975 120.1619 55.1445 18.2883 179.6806 23 G 3.8592 8.0869 105.0426 47.8258 0.0000 175.5556 24 H 4.2222 8.2098 118.5995 58.3867 28.8102 178.1170 25 G 3.7501 8.3290 107.7811 47.7182 0.0000 175.5590 26 Q 3.8649 8.1071 121.7757 59.1484 29.1603 177.9122 27 D 4.3161 7.9220 119.8512 57.4740 40.8338 179.1088 28 I 3.6641 7.8114 120.0433 64.4283 37.1018 178.5336 29 L 3.3498 7.5827 119.4790 57.5960 41.3162 179.7405 30 I 3.6752 7.5867 119.8320 63.9924 36.9310 178.3054 31 R 3.7707 7.7709 119.6683 59.3366 29.9128 178.2330 32 L 3.8514 7.6763 119.8452 58.3607 41.5935 179.0376 33 F 4.6988 7.8563 117.7155 60.4129 38.5224 177.8724 34 K 4.0535 8.0213 117.5465 59.3429 32.0928 179.2906 35 S 4.2681 8.0124 114.5026 60.4526 64.1604 174.5919 36 H 4.6795 8.3759 119.4205 51.8257 29.0738 171.8056 37 P 4.5480 0.0000 0.0000 64.5846 31.4686 177.5038 38 E 4.3427 8.4796 117.5706 58.9886 29.5353 179.1403 39 T 3.8454 8.0256 110.9087 64.4731 68.7755 176.2422 40 L 3.7894 7.8772 123.1332 57.5066 41.9618 178.1105 41 E 4.2768 8.1597 117.4062 57.7614 29.2273 178.0210 42 K 4.5942 8.0536 117.6899 56.1079 33.0293 177.0559 43 F 4.3963 7.8071 118.9610 55.5377 39.5619 175.6427 44 D 4.5284 8.4468 124.5848 57.1781 40.7519 178.4568 45 R 4.1149 7.6517 117.1262 57.7566 30.6006 177.5292 46 F 4.9958 7.4300 115.1112 57.0424 40.0038 177.1416 47 K 3.8560 8.3661 120.3721 59.9339 32.0142 176.9574 48 H 4.3648 8.2702 112.2056 57.2179 29.0867 175.1401 49 L 3.8441 7.5041 120.8208 55.2743 41.5602 176.9984 50 K 4.1571 9.3362 124.9042 58.2080 32.7619 177.5439 51 T 4.6966 7.4773 107.2935 59.1044 73.0532 174.3062 52 E 3.9393 8.5701 120.5183 59.1145 29.5095 178.4539 53 A 3.9550 7.8916 120.6405 55.1826 18.6496 179.3209 54 E 3.9364 8.0331 116.7530 59.6538 29.2735 179.4857 55 M 3.9840 7.7906 117.9939 58.3903 32.1183 178.7123 56 K 4.0408 8.0900 117.3828 59.1305 32.2498 178.7849 57 A 4.3346 7.6171 119.5334 52.7637 18.7158 177.4527 58 S 4.0844 7.4436 113.0414 58.2754 62.7583 174.5524 59 E 3.9878 8.8415 129.1232 59.2037 29.5541 178.2276 60 D 4.4865 8.0846 118.8296 57.2184 41.0293 178.2459 61 L 3.0830 7.7704 120.8966 57.7074 42.0475 178.9526 62 K 3.9398 7.7213 119.6291 59.3556 32.0811 179.0146 63 K 4.0583 8.1262 118.9640 59.7331 32.0272 178.8051 64 H 4.5191 8.5448 118.2402 58.7302 29.8126 177.5810 65 G 3.7171 8.0707 108.0813 47.6653 0.0000 176.0159 66 V 3.6633 7.7923 120.1573 66.0282 31.7075 178.2292 67 T 3.8972 7.9591 115.5638 66.6308 68.3150 176.3852 68 F 4.2741 8.3893 122.3952 61.4643 39.4176 177.2599 69 L 3.5367 7.9862 118.5389 57.8557 41.4308 179.6836 70 T 3.9179 8.1533 115.7405 66.4089 68.2031 176.7176 71 A 3.9795 7.8992 122.5138 54.9828 18.4567 179.4752 72 L 3.6622 7.8772 119.0920 58.0776 42.0890 179.4620 73 G 3.3016 8.4150 105.8530 47.5714 0.0000 175.5876 74 A 4.0069 7.6415 122.0064 54.7862 18.7288 179.6324 75 I 3.7942 7.2596 118.5603 64.5351 37.2692 178.5787 76 L 3.9645 7.5535 119.7684 57.6618 41.1611 179.6291 77 K 3.9722 7.5626 116.9456 58.4566 32.2464 178.7592 78 K 3.9537 7.7253 117.9274 56.0935 32.5555 176.6275 79 K 2.0000 8.2338 118.3420 56.4103 29.8824 175.2406 80 G 3.9858 7.8916 105.8801 45.7865 0.0000 174.1284 81 H 4.6584 7.3597 119.0341 54.9357 27.3531 174.7265 82 H 5.1232 7.6035 112.0932 54.2514 29.5203 176.4955 83 E 3.9820 8.5922 120.6728 60.2895 28.6811 178.9652 84 A 4.0200 7.9300 119.8962 54.8273 17.7565 179.0690 85 E 4.0980 8.1791 116.4868 59.4308 29.4837 179.4008 86 L 4.2868 8.2017 119.1577 57.4863 41.7040 179.0136 87 K 3.9454 7.8696 118.6810 59.2763 32.1506 177.4255 88 P 4.3342 0.0000 0.0000 65.6840 31.2784 178.2810 89 L 4.0450 7.5304 117.2100 58.1035 42.0898 178.8064 90 A 4.2484 8.4022 121.0534 54.9511 18.1921 179.4973 91 Q 3.8561 8.1247 118.3368 59.3427 29.1286 178.5839 92 S 3.9733 7.9583 115.0415 61.9266 63.0802 176.1761 93 H 4.1593 8.4910 119.6327 57.6891 28.0982 177.5968 94 A 2.8392 7.8309 122.6622 54.5113 18.4555 179.4927 95 T 3.8390 7.5463 112.7248 65.5528 68.9396 176.2812 96 K 4.0499 7.4634 120.1755 59.0055 32.8292 177.4125 97 H 4.2063 8.0485 115.6912 56.5147 29.4121 175.7738 98 K 3.3943 7.3854 116.3505 56.0732 28.6485 175.0858 99 I 4.2934 8.0497 119.0712 58.7609 38.7619 175.0721 100 P 4.7422 0.0000 0.0000 62.2145 32.3418 177.3828 101 I 3.6692 8.3448 120.3810 64.4290 36.7295 178.4006 102 K 3.6939 7.9697 120.0891 59.8475 31.9124 178.2383 103 Y 4.0738 7.9452 116.7830 60.8362 37.6424 178.2618 104 L 4.2603 7.9048 119.7520 57.4733 41.7558 179.2780 105 E 4.0987 7.8440 119.1543 59.1712 29.4979 179.1447 106 F 4.5242 7.8796 117.4743 60.8195 39.0443 177.4361 107 I 3.8722 8.1139 118.0793 63.8472 37.7121 178.1031 108 S 4.2379 7.9886 116.2872 61.5573 62.6416 176.1795 109 E 4.0218 8.3063 121.3516 59.2099 29.4118 178.7180 110 A 4.0264 8.0181 120.4062 55.1333 18.4501 179.6929 111 I 3.7474 8.0839 118.3800 64.7306 37.2679 178.7326 112 I 3.8770 7.8845 120.6541 64.6106 36.9154 178.0149 113 H 4.1430 8.5179 119.1560 59.3179 29.6636 177.5709 114 V 3.5728 7.9760 120.0458 65.9774 31.3871 177.9915 115 L 3.7582 7.8637 118.7841 57.8956 41.0418 179.0056 116 H 4.4561 7.9083 117.3988 59.2234 29.8539 177.3940 117 S 4.1480 7.6417 116.2570 61.6359 62.8652 176.4219 118 R 4.0970 7.8770 118.7166 57.3972 31.4720 176.4344 119 H 5.0307 8.0731 115.4997 53.7006 29.4717 172.7659 120 P 4.3490 0.0000 0.0000 65.8378 31.7302 179.4921 121 G 3.6045 8.1639 106.7601 47.6003 0.0000 173.7352 122 N 4.9836 8.0858 114.6875 52.9062 39.3692 174.9392 123 F 4.9466 7.9030 119.0150 56.4437 39.5138 174.1706 124 G 3.9058 7.6601 109.2741 43.7722 0.0000 172.0215 125 A 3.8860 8.4386 120.6956 55.4452 18.1945 179.6239 126 D 4.1952 7.9610 116.4175 57.5045 40.9985 178.7723 127 A 3.9468 7.7604 120.7604 55.0331 18.3200 179.3441 128 Q 3.2086 7.8243 118.4343 58.8988 29.0346 178.5796 129 G 3.4954 8.0899 106.6656 47.5036 0.0000 175.6525 130 A 3.8278 7.8740 123.0920 55.1629 18.4278 179.4106 131 M 3.9998 8.0924 116.7998 58.8261 32.2637 177.9372 132 N 4.3475 8.5422 117.6486 56.5074 39.1021 176.8068 133 K 3.8578 8.0634 121.0117 59.2354 32.2458 178.7596 134 A 3.8087 7.8530 121.1393 55.1303 18.2287 179.6859 135 L 4.1184 8.1342 117.5685 57.8548 41.6327 179.5722 136 E 3.9855 8.5452 119.0142 59.1515 29.3650 179.0690 137 L 3.9505 8.0256 120.4113 58.0669 42.1905 178.6874 138 F 4.1216 8.3004 120.5201 61.6071 39.3555 177.3236 139 R 3.6007 8.2985 117.7185 58.8395 29.9214 179.0050 140 K 3.8538 8.1694 119.5415 59.6948 32.2820 178.7045 141 D 4.3401 7.9894 119.1506 57.2989 40.6196 178.8441 142 I 3.4297 7.4958 120.1843 64.1857 37.0397 178.3789 143 A 3.6815 7.8501 121.3622 54.8832 17.9940 179.5762 144 A 3.9809 7.7464 119.1109 55.1943 18.3298 180.0364 145 K 4.0506 7.9770 117.0758 59.5113 32.0799 179.1454 146 Y 4.2873 8.3319 117.4722 60.9877 37.8566 178.5220 147 K 3.9173 8.1087 120.2625 59.8255 32.1265 178.5899 148 E 4.0292 7.7761 117.0570 59.3584 29.4973 178.8186 149 L 4.2846 8.1060 116.8697 55.4278 41.8925 177.9869 150 G 3.9140 8.1030 107.5097 45.3396 0.0000 173.1929 151 Y 3.9961 7.8947 120.5913 54.1962 39.0867 172.9574 152 Q 3.7785 8.4113 129.0065 56.2476 27.3433 173.5530 153 G 3.6694 8.3094 109.5638 44.1425 0.0000 171.2485 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 0 M 8.30 4.45 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 1 V 7.86 4.21 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 0.84 0.00 0.00 0.95 0.00 0.00 2 L 8.30 4.41 0.00 1.00 0.86 0.59 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.68 4.57 0.00 4.06 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 4 E 8.78 4.31 0.00 2.19 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 2.43 2.51 0.00 5 G 8.07 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 6 E 7.94 3.94 0.00 1.89 1.72 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 2.22 2.26 0.00 7 W 8.09 4.34 0.00 3.58 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 8 Q 8.32 4.13 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 9 L 7.79 4.09 0.00 1.86 1.74 0.89 0.76 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 10 V 7.82 3.75 2.41 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 1.17 0.00 0.00 0.92 0.00 0.00 11 L 8.52 4.28 0.00 1.89 1.81 0.93 1.00 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 12 H 8.29 4.31 0.00 3.27 3.59 0.00 5.95 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 13 V 7.79 3.71 2.41 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 1.08 0.00 0.00 0.86 0.00 0.00 14 W 8.57 3.95 0.00 3.65 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 15 A 7.81 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.94 0.00 1.57 1.66 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.70 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.44 7.81 17 V 7.18 2.85 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 0.00 0.00 -0.09 0.00 0.00 0.44 0.00 0.00 18 E 7.60 3.90 0.00 1.99 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 2.17 2.09 0.00 19 A 7.51 4.24 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 20 D 7.77 4.63 0.00 2.71 2.51 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 21 V 8.04 3.45 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 1.04 0.00 0.00 0.84 0.00 0.00 22 A 8.00 4.07 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 23 G 8.09 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 24 H 8.21 4.22 0.00 3.14 3.24 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 8.33 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.11 3.86 0.00 2.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 27 D 7.92 4.32 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 28 I 7.81 3.66 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.77 0.97 0.00 0.00 29 L 7.58 3.35 0.00 1.42 1.03 0.75 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.59 3.68 1.85 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 1.39 0.72 0.88 0.00 0.00 31 R 7.77 3.77 0.00 2.08 1.96 0.00 3.12 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 32 L 7.68 3.85 0.00 1.60 1.30 1.00 0.78 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 33 F 7.86 4.70 0.00 3.02 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 34 K 8.02 4.05 0.00 1.69 1.82 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.71 7.81 35 S 8.01 4.27 0.00 3.73 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.38 4.68 0.00 2.98 2.88 0.00 5.64 0.00 0.00 0.00 0.00 6.85 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 4.55 0.00 2.15 2.12 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 38 E 8.48 4.34 0.00 2.30 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 2.36 2.40 0.00 39 T 8.03 3.85 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 0.86 0.00 0.00 40 L 7.88 3.79 0.00 1.36 1.77 -0.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.16 4.28 0.00 2.37 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 2.38 0.00 42 K 8.05 4.59 0.00 1.87 1.60 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.15 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.66 1.91 7.81 43 F 7.81 4.40 0.00 3.16 2.63 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 44 D 8.45 4.53 0.00 2.56 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 45 R 7.65 4.11 0.00 1.15 1.67 0.00 3.41 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 46 F 7.43 5.00 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.37 3.86 0.00 1.95 1.93 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.51 7.81 48 H 8.27 4.36 0.00 3.33 3.41 0.00 5.60 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 7.50 3.84 0.00 1.56 1.58 0.81 0.64 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 50 K 9.34 4.16 0.00 1.81 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.55 7.81 51 T 7.48 4.70 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 1.20 0.00 0.00 52 E 8.57 3.94 0.00 2.04 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 0.00 2.35 2.35 0.00 53 A 7.89 3.95 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 54 E 8.03 3.94 0.00 2.13 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 2.31 2.33 0.00 55 M 7.79 3.98 0.00 1.97 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 2.71 2.51 0.00 56 K 8.09 4.04 0.00 1.89 1.84 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.53 7.81 57 A 7.62 4.33 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 58 S 7.44 4.08 0.00 3.92 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 59 E 8.84 3.99 0.00 2.13 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 2.39 2.48 0.00 60 D 8.08 4.49 0.00 3.01 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 61 L 7.77 3.08 0.00 0.98 1.50 0.68 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.72 3.94 0.00 1.80 1.92 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 63 K 8.13 4.06 0.00 2.12 1.93 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.84 7.81 64 H 8.54 4.52 0.00 3.67 3.59 0.00 5.78 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 8.07 3.72 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 0.00 0.00 0.00 66 V 7.79 3.66 2.28 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 1.05 0.00 0.00 0.98 0.00 0.00 67 T 7.96 3.90 4.39 0.00 0.00 0.00 0.00 0.00 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 68 F 8.39 4.27 0.00 3.20 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 69 L 7.99 3.54 0.00 1.79 1.67 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.15 3.92 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 1.23 0.00 0.00 71 A 7.90 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.66 0.00 1.36 1.46 0.33 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.42 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 0.00 0.00 0.00 74 A 7.64 4.01 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 75 I 7.26 3.79 1.79 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.19 0.89 0.00 0.00 76 L 7.55 3.96 0.00 1.14 1.48 -0.25 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.56 3.97 0.00 1.69 1.78 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.46 7.81 78 K 7.73 3.95 0.00 1.87 1.81 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.65 1.73 7.81 79 K 8.23 2.00 0.00 1.22 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.50 0.87 7.81 80 G 7.89 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 81 H 7.36 4.66 0.00 3.14 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.60 5.12 0.00 3.31 3.48 0.00 5.67 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 83 E 8.59 3.98 0.00 2.20 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 0.00 2.39 2.37 0.00 84 A 7.93 4.02 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 85 E 8.18 4.10 0.00 2.26 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 2.40 2.47 0.00 86 L 8.20 4.29 0.00 2.05 1.72 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.87 3.95 0.00 1.99 1.86 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.64 7.81 88 P 0.00 4.33 0.00 2.30 2.34 0.00 3.94 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 2.24 2.06 0.00 89 L 7.53 4.04 0.00 1.86 1.93 1.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.40 4.25 1.50 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 0.00 0.00 91 Q 8.12 3.86 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 92 S 7.96 3.97 0.00 4.02 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 93 H 8.49 4.16 0.00 3.54 3.58 0.00 5.80 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 7.83 2.84 0.63 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 95 T 7.55 3.84 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 1.12 0.00 0.00 96 K 7.46 4.05 0.00 1.52 1.47 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.35 7.81 97 H 8.05 4.21 0.00 3.02 3.14 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.39 3.39 0.00 1.78 1.77 0.00 1.73 0.00 0.00 2.29 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.28 7.81 99 I 8.05 4.29 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 1.14 0.00 0.00 100 P 0.00 4.74 0.00 1.99 2.03 0.00 3.12 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.20 0.00 101 I 8.34 3.67 1.83 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 1.59 1.28 0.83 0.00 0.00 102 K 7.97 3.69 0.00 1.74 1.65 0.00 1.49 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 0.88 7.81 103 Y 7.95 4.07 0.00 3.23 3.04 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 0.00 104 L 7.90 4.26 0.00 1.87 1.83 0.73 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.84 4.10 0.00 2.04 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 2.33 2.47 0.00 106 F 7.88 4.52 0.00 3.17 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 0.00 107 I 8.11 3.87 1.94 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.31 1.12 0.00 0.00 108 S 7.99 4.24 0.00 4.18 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 E 8.31 4.02 0.00 2.18 2.27 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 2.38 2.40 0.00 110 A 8.02 4.03 1.43 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 0.00 0.00 111 I 8.08 3.75 2.16 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.16 1.07 0.00 0.00 112 I 7.88 3.88 2.15 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 1.69 1.02 1.14 0.00 0.00 113 H 8.52 4.14 0.00 3.39 3.50 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 7.98 3.57 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 1.01 0.00 0.00 1.01 0.00 0.00 115 L 7.86 3.76 0.00 0.49 0.55 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.91 4.46 0.00 3.47 3.55 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.64 4.15 0.00 3.96 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 0.00 118 R 7.88 4.10 0.00 1.44 1.65 0.00 3.10 0.00 0.00 2.97 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 119 H 8.07 5.03 0.00 3.22 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.77 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 4.35 0.00 2.21 2.27 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 121 G 8.16 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.09 4.98 0.00 2.81 2.92 0.00 0.00 6.69 6.74 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 0.00 123 F 7.90 4.95 0.00 2.96 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 0.00 124 G 7.66 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 0.00 125 A 8.44 3.89 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 0.00 126 D 7.96 4.20 0.00 2.65 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 0.00 127 A 7.76 3.95 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 0.00 128 Q 7.82 3.21 0.00 1.26 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 129 G 8.09 3.50 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 0.00 0.00 0.00 130 A 7.87 3.83 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 0.00 131 M 8.09 4.00 0.00 2.38 2.36 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.92 0.00 132 N 8.54 4.35 0.00 2.87 2.92 0.00 0.00 6.86 7.06 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 0.00 133 K 8.06 3.86 0.00 2.00 1.71 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.37 7.81 134 A 7.85 3.81 1.23 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 0.00 0.00 135 L 8.13 4.12 0.00 1.78 1.83 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.55 3.99 0.00 2.21 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 2.54 0.00 137 L 8.03 3.95 0.00 1.86 2.02 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.30 4.12 0.00 3.17 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 0.00 139 R 8.30 3.60 0.00 2.00 1.88 0.00 3.19 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.03 0.00 140 K 8.17 3.85 0.00 1.89 1.95 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 7.99 4.34 0.00 2.68 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 0.00 142 I 7.50 3.43 1.25 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.36 0.25 0.00 0.00 143 A 7.85 3.68 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 0.00 144 A 7.75 3.98 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 0.00 145 K 7.98 4.05 0.00 2.10 1.95 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.55 7.81 146 Y 8.33 4.29 0.00 3.12 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 0.00 147 K 8.11 3.92 0.00 2.01 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.78 4.03 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 149 L 8.11 4.28 0.00 1.76 1.70 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.10 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 0.00 151 Y 7.89 4.00 0.00 2.78 2.43 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 0.00 152 Q 8.41 3.78 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 153 G 8.31 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