NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9987 8.0544 120.3912 62.9466 32.4256 174.2460 2 H 4.5487 8.7313 127.5073 54.3531 30.8858 172.5885 3 L 4.7610 7.7026 125.9508 52.1831 45.5759 176.7514 4 T 4.0342 8.2843 113.3840 60.7529 70.7381 173.5671 5 P 4.2063 0.0000 0.0000 66.1736 31.2341 178.3208 6 E 3.9104 8.2708 116.3825 59.9515 29.4127 179.5226 7 E 4.0105 7.9986 120.0240 59.9409 29.5785 180.2199 8 K 4.1576 8.0542 123.6107 59.7084 31.5754 181.0236 9 T 4.4017 7.7923 114.0034 65.8861 68.8115 176.9767 10 A 4.0126 7.7539 122.9537 54.9350 18.5203 179.8432 11 V 3.6663 8.2659 117.0840 66.3794 31.5908 177.9348 12 N 4.6156 7.8672 113.6962 55.3118 38.1712 177.2547 13 A 4.0992 7.5441 121.9182 54.7695 18.9706 179.0339 14 L 3.8008 8.0897 118.9851 57.8538 42.1642 178.9408 15 W 4.3097 8.7180 128.6088 60.2985 30.4695 177.9288 16 G 3.7957 8.0599 104.0902 46.4858 0.0000 174.0812 17 K 4.3985 7.5323 118.7722 56.1940 32.9653 177.0085 18 V 3.6302 7.4180 120.4600 62.4601 31.7641 174.9155 19 N 4.4304 8.5177 125.8591 53.2314 38.4991 175.7414 20 V 3.7332 8.2699 119.6905 63.3192 31.8525 176.7904 21 D 4.6582 8.2040 118.1705 54.5092 41.8175 176.9034 22 A 4.4733 7.8476 119.2024 53.5053 20.7142 177.9110 23 V 3.5062 7.3627 116.6307 66.3868 31.3354 178.5194 24 G 3.6831 8.0206 104.6922 47.8343 0.0000 175.8387 25 G 3.5890 7.9954 107.9661 47.2127 0.0000 175.3436 26 E 3.8504 8.5460 121.8292 59.0385 29.7220 178.7705 27 A 3.9272 8.1826 121.1447 55.0869 18.4671 179.4280 28 L 4.0170 8.2175 119.1544 58.0807 42.1895 179.3499 29 G 3.5588 8.1968 105.7852 47.9259 0.0000 175.8281 30 R 3.8826 8.2125 121.1708 58.6390 30.0626 178.7635 31 L 4.2669 7.9760 120.0508 58.4677 41.9109 179.1577 32 L 4.2904 7.8604 119.9754 56.9240 41.2176 179.7154 33 V 3.6662 7.4030 117.3949 65.7058 31.7484 178.0273 34 V 3.5345 8.3112 117.8800 64.2769 32.7189 175.5656 35 Y 4.0549 7.4280 116.6342 54.9466 37.9996 174.5182 36 P 4.2759 0.0000 0.0000 65.6004 32.4469 178.6122 37 W 4.4466 8.5059 115.8423 59.6201 27.7519 177.3879 38 T 4.5961 7.5869 109.8108 63.5893 68.2999 176.1231 39 Q 4.3670 8.4588 121.7654 58.6307 28.5110 178.0580 40 R 3.8914 7.7749 119.0238 58.9680 30.1327 177.6559 41 F 4.3570 7.5932 113.8595 57.9896 39.3800 175.5847 42 F 4.6295 7.8827 118.5678 56.7260 39.8775 176.8519 43 E 4.1256 8.5466 120.6657 58.7034 29.4428 177.3767 44 S 4.6750 8.0617 112.2387 58.4516 63.6045 174.6133 45 F 4.4888 8.3917 119.7763 58.7198 39.9469 175.9971 46 G 4.0052 7.9886 106.5031 44.4624 0.0000 175.5685 47 D 4.6013 8.6021 127.7176 53.7240 40.9720 175.3643 48 L 4.8786 8.3259 127.2501 54.6972 43.0909 177.7812 49 S 4.4507 9.1278 112.1500 58.2210 63.3336 174.0954 50 S 4.5575 7.4707 114.3578 56.2340 66.8819 175.0968 51 P 4.2036 0.0000 0.0000 66.2402 31.0969 178.6521 52 D 4.4071 8.1092 116.5799 57.3299 40.7265 178.6877 53 A 3.9857 7.8174 121.3785 54.9245 18.1423 179.9378 54 V 3.4938 7.6322 115.7705 66.6268 31.8125 178.1133 55 M 4.2661 8.4036 117.3530 57.7803 31.8201 178.2926 56 G 3.9200 8.0258 104.3890 44.5284 0.0000 173.3902 57 N 4.2283 7.6504 120.4334 53.6647 39.4787 173.1339 58 P 4.2317 0.0000 0.0000 66.0435 31.4732 178.7832 59 K 3.7808 8.3029 116.7952 58.8634 31.7562 179.8336 60 V 3.7328 7.8546 118.4300 66.0053 31.4071 177.9776 61 K 3.9374 7.8652 116.6479 59.3880 32.0394 178.9375 62 A 4.1288 8.1952 121.0605 55.5714 18.3699 179.2872 63 H 4.3510 8.6006 116.9142 59.2030 29.9660 177.6893 64 G 3.7223 8.3937 107.7114 47.4759 0.0000 175.9101 65 K 4.0936 7.8922 121.0533 59.3871 32.0391 179.5853 66 K 4.0954 7.9359 118.3852 59.1968 32.1060 179.5438 67 V 3.7068 7.7858 118.8391 65.9230 31.4506 177.8528 68 L 4.4961 8.3502 120.3494 58.2268 41.9425 179.1244 69 G 3.7514 8.4248 105.5704 47.9139 0.0000 175.5221 70 A 4.1408 8.0623 122.8062 54.9226 18.4723 179.7892 71 F 4.1795 8.3369 116.0160 60.7350 38.7730 178.1880 72 S 4.1094 8.6165 114.6620 61.5738 62.4836 176.0955 73 D 4.6235 8.9644 122.1897 57.0435 40.3657 179.1640 74 G 3.7733 8.0389 106.1027 47.8505 0.0000 175.7578 75 L 3.5526 7.5198 119.6424 56.8203 41.6426 178.6026 76 A 4.3911 7.3017 117.5467 52.4631 20.4673 176.5056 77 H 4.9365 8.7796 115.5627 54.9301 29.6426 175.1063 78 L 4.1680 7.9873 119.0411 56.8302 41.9993 178.2453 79 D 4.7368 7.9377 116.3919 53.6033 40.4447 175.7235 80 N 5.0918 8.0440 119.5127 52.3272 39.8280 176.2636 81 L 4.5575 8.2754 120.0331 57.4119 41.7743 179.0683 82 K 4.2709 8.0766 116.2108 58.9053 32.2104 179.4426 83 G 3.6922 7.9806 106.1891 47.9742 0.0000 175.8021 84 T 3.7793 8.5626 113.5945 63.7781 68.4993 175.2620 85 F 4.5121 8.4097 118.9870 57.0787 39.0840 177.4948 86 S 4.0683 7.8731 116.0158 61.7122 62.1929 176.3034 87 Q 3.9710 7.9749 120.0668 59.1342 28.5226 178.8335 88 L 4.1050 7.8468 119.3708 57.6127 41.6131 179.3302 89 S 4.1564 8.1095 113.4487 61.3092 62.1820 176.0634 90 E 3.8796 8.1334 121.3755 59.1149 29.1911 179.1121 91 L 3.8834 7.8894 120.2646 58.6777 42.2809 178.8482 92 H 4.2712 8.8877 116.4710 58.6471 28.5526 177.5594 93 C 4.7330 8.2217 119.8806 61.9436 28.0805 175.8260 94 D 4.2863 7.5391 118.4739 56.2807 40.9970 177.7813 95 K 4.1810 7.9388 118.6268 58.1951 32.8851 177.2773 96 L 4.2752 7.8624 117.3151 55.5103 42.2777 176.4507 97 H 4.2002 7.4594 113.0223 56.8052 26.1137 175.7346 98 V 3.8383 7.9774 119.5988 61.3067 31.7989 174.9240 99 D 4.1217 8.6083 127.2962 53.8992 41.7511 175.3006 100 P 3.3474 0.0000 0.0000 65.4869 31.3531 178.3559 101 E 3.8799 7.6511 117.2234 59.1987 29.3704 178.5801 102 N 4.4319 7.9495 116.4068 55.8025 38.5415 177.3749 103 F 4.5447 7.7230 119.7583 60.3765 38.9371 177.6254 104 R 3.9331 7.9814 117.9134 59.5032 30.0068 178.2981 105 L 3.8984 7.7063 118.4001 57.8101 41.5017 179.3904 106 L 4.1376 8.3166 120.4027 58.0536 42.1694 179.1662 107 G 3.7681 8.3383 105.8306 48.0023 0.0000 175.4755 108 N 4.4715 8.3036 118.8632 56.0221 38.5717 177.7495 109 V 3.6172 8.1099 119.8821 65.7442 31.5338 177.6681 110 L 3.8166 8.0736 120.2667 58.1228 41.7783 179.0327 111 V 3.4232 7.4959 117.4833 66.3089 31.3988 177.5417 112 C 3.9617 8.2935 116.6458 63.0001 27.9082 176.4226 113 V 3.4222 8.0486 119.9343 65.8984 31.0394 178.0405 114 L 3.7148 7.8523 118.8537 57.6254 41.4221 179.3979 115 A 3.7520 7.4660 121.0141 54.8491 18.0180 179.7566 116 R 3.7524 7.6674 116.7583 59.5568 30.3192 178.1152 117 N 4.2478 7.9890 114.5568 54.5257 38.7788 176.2224 118 F 5.0195 7.8593 117.3612 55.1257 41.0452 176.6636 119 G 3.8996 8.6967 108.2953 46.0124 0.0000 177.4897 120 K 3.9913 9.0387 125.1327 59.0001 32.0198 177.3980 121 E 4.1546 7.9619 118.1346 59.1767 29.7265 177.7295 122 F 4.5061 7.9692 122.1495 57.4684 37.4682 174.9836 123 T 4.1997 7.4112 116.3242 60.1668 71.4351 173.6311 124 P 4.1367 0.0000 0.0000 65.5602 31.2192 179.1034 125 Q 3.9607 7.8682 116.7737 58.8676 28.7881 177.9173 126 M 3.9988 7.6053 118.7803 58.5900 32.1949 178.0610 127 Q 3.5985 7.7540 119.7080 58.9210 28.6790 177.8009 128 A 3.9711 7.9042 121.5814 55.3308 18.5424 179.4672 129 A 3.9431 8.0449 118.9755 55.6694 18.4950 179.5482 130 Y 4.0225 8.2502 114.9360 60.9087 37.9010 178.5641 131 Q 4.1695 8.4251 119.7210 58.8277 28.8079 178.6855 132 K 4.0598 7.8540 118.6397 59.1448 31.9853 179.6139 133 V 3.4828 7.3139 117.4899 66.1378 31.5279 178.4633 134 V 3.8842 8.0004 111.8959 64.5725 31.3629 178.5547 135 A 4.1691 8.2801 120.6209 55.0079 18.2737 179.9641 136 G 3.4585 7.9964 104.4689 47.8747 0.0000 176.2245 137 V 2.9674 8.1260 120.8214 65.3309 31.5123 178.0951 138 A 3.8935 8.5895 121.0305 55.0130 18.0017 179.1383 139 N 4.3563 8.2597 114.8691 56.7348 39.0352 176.6905 140 A 4.0747 7.6895 121.7750 55.1630 18.2280 179.6565 141 L 3.7569 7.3681 116.0661 57.0908 41.8531 178.6260 142 A 4.7445 7.8689 119.1194 52.8207 18.8073 178.2560 143 H 3.9190 7.7529 117.7707 59.4965 29.6365 176.9300 144 K 3.7169 7.5275 117.8926 59.3500 32.0451 178.0419 145 Y 4.5198 8.0517 117.0364 60.1579 38.0145 175.3333 146 H 4.5226 8.1736 120.9228 56.1097 28.7914 175.0284 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 V 8.05 4.00 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 0.93 0.00 0.00 0.94 0.00 0.00 2 H 8.73 4.55 0.00 3.19 3.18 0.00 5.92 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.70 4.76 0.00 1.49 1.39 0.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.28 4.03 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 1.26 0.00 0.00 5 P 0.00 4.21 0.00 2.16 2.15 0.00 3.62 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 2.11 2.19 0.00 6 E 8.27 3.91 0.00 2.03 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 2.49 0.00 7 E 8.00 4.01 0.00 2.09 1.92 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 2.29 2.28 0.00 8 K 8.05 4.16 0.00 1.78 1.82 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.36 7.81 9 T 7.79 4.40 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 1.21 0.00 0.00 10 A 7.75 4.01 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 11 V 8.27 3.67 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 0.40 0.00 0.00 0.59 0.00 0.00 12 N 7.87 4.62 0.00 2.98 2.89 0.00 0.00 6.99 7.42 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 13 A 7.54 4.10 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 14 L 8.09 3.80 0.00 1.76 1.83 0.34 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.72 4.31 0.00 3.84 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 16 G 8.06 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 0.00 0.00 0.00 17 K 7.53 4.40 0.00 1.80 2.00 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.71 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.41 1.50 7.81 18 V 7.42 3.63 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 0.70 0.00 0.00 19 N 8.52 4.43 0.00 2.67 2.59 0.00 0.00 7.23 7.71 0.00 0.00 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 V 8.27 3.73 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 0.71 0.00 0.00 0.92 0.00 0.00 21 D 8.20 4.66 0.00 2.77 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 22 A 7.85 4.47 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 23 V 7.36 3.51 1.88 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 0.89 0.00 0.00 0.74 0.00 0.00 24 G 8.02 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 25 G 8.00 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 0.00 0.00 0.00 26 E 8.55 3.85 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 27 A 8.18 3.93 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 28 L 8.22 4.02 0.00 1.84 1.69 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.20 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 30 R 8.21 3.88 0.00 1.99 1.95 0.00 3.08 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 31 L 7.98 4.27 0.00 1.94 1.90 0.97 0.54 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 32 L 7.86 4.29 0.00 1.85 1.67 0.79 0.65 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 33 V 7.40 3.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.97 0.00 0.00 34 V 8.31 3.53 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.76 0.00 0.00 35 Y 7.43 4.05 0.00 2.43 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 36 P 0.00 4.28 0.00 2.32 2.11 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 37 W 8.51 4.45 0.00 3.62 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 38 T 7.59 4.60 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 1.12 0.00 0.00 39 Q 8.46 4.37 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 40 R 7.77 3.89 0.00 1.75 1.61 0.00 3.09 0.00 0.00 2.79 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.52 0.00 41 F 7.59 4.36 0.00 2.47 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.88 4.63 0.00 2.83 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 0.00 0.00 0.00 0.00 43 E 8.55 4.13 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 44 S 8.06 4.68 0.00 4.12 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 45 F 8.39 4.49 0.00 3.24 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 46 G 7.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.60 4.60 0.00 2.65 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 48 L 8.33 4.88 0.00 1.73 1.60 1.00 0.89 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 49 S 9.13 4.45 0.00 3.94 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 50 S 7.47 4.56 0.00 4.13 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.20 0.00 2.15 2.12 0.00 3.58 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 2.09 2.16 0.00 52 D 8.11 4.41 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.82 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.63 3.49 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 0.88 0.00 0.00 0.95 0.00 0.00 55 M 8.40 4.27 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.90 0.00 56 G 8.03 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 0.00 0.00 0.00 57 N 7.65 4.23 0.00 3.00 2.89 0.00 0.00 7.00 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 58 P 0.00 4.23 0.00 2.14 2.07 0.00 3.63 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 2.09 2.18 0.00 59 K 8.30 3.78 0.00 1.52 0.74 0.00 1.37 0.00 0.00 0.96 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.13 1.22 7.81 60 V 7.85 3.73 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 1.02 0.00 0.00 0.99 0.00 0.00 61 K 7.87 3.94 0.00 1.93 1.85 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 62 A 8.20 4.13 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 63 H 8.60 4.35 0.00 3.68 3.55 0.00 5.79 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 64 G 8.39 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 65 K 7.89 4.09 0.00 1.97 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.72 7.81 66 K 7.94 4.10 0.00 1.94 1.87 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.53 7.81 67 V 7.79 3.71 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 1.33 0.00 0.00 1.10 0.00 0.00 68 L 8.35 4.50 0.00 2.06 1.94 0.94 0.74 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 69 G 8.42 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 70 A 8.06 4.14 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 71 F 8.34 4.18 0.00 3.59 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 72 S 8.62 4.11 0.00 4.16 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 0.00 73 D 8.96 4.62 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.04 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.52 3.55 0.00 1.59 1.55 -0.14 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.30 4.39 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 77 H 8.78 4.94 0.00 3.08 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.99 4.17 0.00 1.60 1.85 0.82 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.94 4.74 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.04 5.09 0.00 2.80 2.72 0.00 0.00 7.07 6.42 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 81 L 8.28 4.56 0.00 1.74 1.72 0.90 1.41 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 82 K 8.08 4.27 0.00 1.65 1.72 0.00 1.39 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.46 7.81 83 G 7.98 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 0.00 0.00 0.00 84 T 8.56 3.78 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 1.04 0.00 0.00 85 F 8.41 4.51 0.00 3.10 2.97 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 86 S 7.87 4.07 0.00 4.13 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 87 Q 7.97 3.97 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 88 L 7.85 4.10 0.00 1.75 1.77 0.92 0.87 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 89 S 8.11 4.16 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.13 3.88 0.00 2.29 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 2.29 2.54 0.00 91 L 7.89 3.88 0.00 1.76 1.83 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.89 4.27 0.00 3.32 3.66 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.22 4.73 0.00 2.63 1.83 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 94 D 7.54 4.29 0.00 2.72 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 95 K 7.94 4.18 0.00 1.68 2.01 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.39 7.81 96 L 7.86 4.28 0.00 1.89 1.76 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.46 4.20 0.00 3.59 3.55 0.00 5.84 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 98 V 7.98 3.84 2.29 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 0.43 0.00 0.00 0.45 0.00 0.00 99 D 8.61 4.12 0.00 2.70 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 0.00 0.00 0.00 0.00 100 P 0.00 3.35 0.00 2.00 2.08 0.00 3.21 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 101 E 7.65 3.88 0.00 2.11 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 2.26 2.38 0.00 102 N 7.95 4.43 0.00 2.69 2.85 0.00 0.00 6.87 7.91 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 0.00 103 F 7.72 4.54 0.00 3.14 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.98 3.93 0.00 1.91 2.11 0.00 3.21 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 105 L 7.71 3.90 0.00 1.69 1.17 0.48 0.07 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 0.00 106 L 8.32 4.14 0.00 1.90 1.86 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.34 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.30 4.47 0.00 3.03 2.95 0.00 0.00 6.65 7.74 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 0.00 109 V 8.11 3.62 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 1.05 0.00 0.00 1.17 0.00 0.00 110 L 8.07 3.82 0.00 1.65 1.76 0.84 -0.02 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 0.00 111 V 7.50 3.42 2.35 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 1.30 0.00 0.00 1.16 0.00 0.00 112 C 8.29 3.96 0.00 3.13 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 0.00 113 V 8.05 3.42 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 1.07 0.00 0.00 0.88 0.00 0.00 114 L 7.85 3.71 0.00 1.00 0.93 0.51 0.79 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 0.00 115 A 7.47 3.75 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 0.00 116 R 7.67 3.75 0.00 1.81 1.93 0.00 3.19 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 117 N 7.99 4.25 0.00 1.97 2.00 0.00 0.00 6.88 7.63 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 0.00 118 F 7.86 5.02 0.00 3.20 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.70 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 0.00 120 K 9.04 3.99 0.00 1.77 1.92 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 121 E 7.96 4.15 0.00 2.29 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 2.36 2.29 0.00 122 F 7.97 4.51 0.00 3.05 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 0.00 123 T 7.41 4.20 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 1.29 0.00 0.00 124 P 0.00 4.14 0.00 2.14 2.11 0.00 3.55 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 2.15 0.00 125 Q 7.87 3.96 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 126 M 7.61 4.00 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 127 Q 7.75 3.60 0.00 1.45 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 128 A 7.90 3.97 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 0.00 129 A 8.04 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 8.25 4.02 0.00 3.43 3.21 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 0.00 131 Q 8.43 4.17 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.77 2.61 0.00 132 K 7.85 4.06 0.00 1.97 1.84 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.62 7.81 133 V 7.31 3.48 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 0.97 0.00 0.00 0.75 0.00 0.00 134 V 8.00 3.88 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.13 0.00 0.00 135 A 8.28 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.00 3.46 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 0.00 0.00 0.00 0.00 137 V 8.13 2.97 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 0.02 0.00 0.00 0.75 0.00 0.00 138 A 8.59 3.89 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 0.00 139 N 8.26 4.36 0.00 2.81 2.88 0.00 0.00 7.21 8.82 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 0.00 140 A 7.69 4.07 1.17 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 0.00 0.00 0.00 141 L 7.37 3.76 0.00 1.12 0.62 -0.15 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.87 4.74 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 0.00 143 H 7.75 3.92 0.00 3.32 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.53 3.72 0.00 1.39 1.57 0.00 1.86 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.52 7.81 145 Y 8.05 4.52 0.00 3.12 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 0.00 146 H 8.17 4.52 0.00 3.24 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00