NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.3981 8.4093 118.1047 53.3193 39.8737 173.0843 4 Y 4.7662 7.1660 119.5531 54.5264 41.4219 171.3084 5 T 4.7915 8.9724 110.5964 60.3138 73.2426 173.2590 6 Y 5.1854 8.7801 118.3067 56.7369 40.0856 175.3941 7 I 4.8812 8.8739 121.9876 59.3114 41.4761 175.4841 8 K 4.7366 9.7917 128.7830 55.0975 33.4371 176.3403 9 P 4.5528 0.0000 0.0000 66.2056 31.2077 178.6932 10 E 4.4877 8.4145 118.0739 59.1067 29.4743 179.3158 11 E 4.0231 8.2033 117.9500 59.1671 29.5750 178.8979 12 L 3.9298 8.1560 120.5202 58.1770 42.1832 179.2191 13 V 3.5395 7.9799 118.2235 65.6815 31.1040 177.4656 14 E 3.8921 7.7482 117.9675 59.2896 29.3098 178.5417 15 L 4.1120 7.6677 118.2252 57.9353 41.5967 179.4848 16 L 4.1283 8.1109 116.6596 56.7057 41.5924 178.1601 17 D 4.7956 7.7230 117.2481 53.6599 41.6760 175.6852 18 N 4.6729 7.4213 118.6209 51.8809 39.0729 173.7078 19 P 4.3882 0.0000 0.0000 64.4474 32.0872 177.8962 20 D 4.4806 8.1393 118.2264 57.2228 40.8928 178.0493 21 S 4.1212 9.7465 116.0557 62.0073 62.7437 176.4979 22 L 3.8830 8.2969 122.6467 58.5995 41.6250 179.3517 23 V 3.8497 7.2530 108.6861 62.7684 31.8219 176.9178 24 K 4.3303 8.0954 117.9397 56.1259 32.2677 175.5651 25 A 5.2628 7.6649 120.5429 49.9711 21.9127 175.8004 26 A 4.6893 8.9406 122.1828 49.9487 23.0397 175.2093 27 V 4.5301 8.1458 119.8606 61.1669 34.2600 174.2844 28 I 4.3774 8.6280 129.8528 59.5607 39.0058 174.3791 29 D 4.5899 8.8034 128.9640 53.1954 42.1636 175.9946 30 C 5.4020 8.7879 123.6255 58.9840 29.3210 174.5292 31 R 4.3908 7.9948 118.4636 56.0242 30.8732 175.3535 32 D 4.5025 8.4430 118.8319 54.0566 40.1039 177.3203 33 S 4.3013 8.6975 118.0138 59.5255 64.7669 175.4420 34 D 4.6129 7.9350 119.3056 53.4473 39.9117 177.8356 35 R 3.8005 7.9185 121.4104 59.7617 30.0793 177.4966 36 D 4.7063 7.9515 115.1098 55.6077 41.1783 176.6389 37 C 3.9016 7.7165 117.4150 61.5166 28.3324 173.7307 38 G 4.0160 6.0131 105.3657 43.8093 0.0000 171.6102 39 F 3.8135 6.7502 114.5863 55.7138 41.0415 173.0375 40 I 4.8232 8.1627 122.2715 59.9279 38.0573 176.2755 41 V 3.5965 8.1422 124.4380 62.9590 31.5363 175.7755 42 N 4.1489 8.8183 118.1128 53.6971 36.1908 174.5340 43 S 4.3826 7.7132 113.0617 58.7408 63.9824 173.5916 44 I 4.3125 8.6965 122.0429 59.5036 39.6791 174.1472 45 N 4.8572 8.5157 125.7207 52.9717 40.0147 174.6610 46 M 4.5648 8.6617 126.8286 52.1878 33.2456 171.5839 47 P 4.6875 0.0000 0.0000 62.6843 31.2383 177.1866 48 T 3.8955 8.8465 122.4298 66.7353 68.7144 176.4541 49 I 3.9267 7.9232 120.3172 63.1925 38.0383 176.1621 50 S 4.6963 7.3775 108.4654 57.5123 64.3639 174.2290 51 C 4.0420 8.7373 120.2885 60.4319 28.5048 173.9688 52 T 4.6171 8.0678 113.8877 60.1008 71.8980 175.3129 53 E 4.1387 8.7901 121.8411 59.9695 29.4390 178.9431 54 E 4.0802 8.2474 117.8112 59.6073 29.5180 179.1306 55 M 4.0358 7.7463 118.5644 58.5383 31.9026 178.3905 56 Y 4.2643 7.9953 116.9004 61.0127 37.9854 178.3124 57 E 4.0549 8.5323 119.6609 59.3369 29.5788 179.3145 58 K 3.9919 8.4262 119.8953 59.4517 32.1927 178.6509 59 L 4.0153 8.1756 120.4759 57.9056 42.0285 178.3840 60 A 4.3202 8.6503 121.1915 55.4089 18.2199 179.4668 61 K 3.7896 8.3710 117.6400 60.1294 32.2704 179.0454 62 T 3.8953 8.3906 116.3335 66.7658 68.2970 176.6409 63 L 4.0090 8.4434 121.1640 57.2310 41.6524 179.1546 64 F 3.8810 8.0819 120.8466 61.4592 39.0555 177.1419 65 E 4.0863 8.3006 116.9380 59.1603 29.3104 178.4582 66 E 4.1394 8.2073 115.9363 55.6468 29.7292 176.5880 67 K 3.6432 8.0742 117.8627 56.7865 30.3954 175.8486 68 K 4.1925 7.9567 116.9631 57.0485 32.7407 177.1063 69 E 4.7017 9.6511 121.8779 56.5112 32.0623 175.7722 70 L 5.5485 7.8933 118.6662 52.8139 46.3730 175.1996 71 A 4.9605 9.5755 124.8013 50.2128 22.0932 174.8681 72 V 4.7906 8.5807 123.4360 61.5792 33.5665 174.5545 73 F 5.0348 9.6670 128.0617 56.6590 40.8060 174.8430 74 H 5.4752 9.0821 117.6697 53.4640 32.4114 172.2872 75 C 5.2880 8.8610 115.9228 58.3609 32.1565 176.2401 76 A 4.3103 9.1767 116.3542 54.5361 18.6057 178.7455 77 Q 4.7013 8.2422 109.6947 54.9162 30.4894 175.7151 78 S 3.8923 8.1465 112.4314 59.7330 60.5078 173.0163 79 L 4.5602 8.2268 120.5348 55.7190 43.0879 176.8636 80 V 4.3010 7.4198 114.9425 64.0536 33.6550 177.5257 81 R 4.0223 7.9872 117.7974 58.9057 30.1025 178.9102 82 A 4.0602 7.9190 120.3506 54.7606 18.5940 177.8457 83 P 3.7433 0.0000 0.0000 65.5565 31.2141 178.6320 84 K 4.0053 8.2054 118.5663 59.3138 31.9454 179.4104 85 G 3.6893 8.4146 106.1069 47.8161 0.0000 175.6534 86 A 2.5871 7.9106 123.5343 54.2306 18.2607 179.4859 87 N 4.2544 8.3472 115.4383 56.6791 38.6770 177.8542 88 R 3.6901 7.8710 119.4998 58.9823 29.8681 179.0216 89 F 4.2615 8.1066 120.3421 61.2063 39.4135 177.2115 90 A 4.0594 8.0650 122.0115 54.5169 18.1357 179.6787 91 L 3.8216 7.9213 117.3588 57.6271 41.6642 179.4449 92 A 3.9532 7.9506 120.7395 55.3010 18.1363 179.6292 93 Q 3.8989 7.9619 116.8183 58.9646 28.6527 179.1561 94 K 3.9096 8.0608 120.6190 59.3924 32.0455 178.7311 95 K 3.8560 7.8253 118.6335 59.2658 32.1656 178.0835 96 L 4.1492 7.5716 117.4376 54.9785 41.8087 177.5138 97 G 3.6689 7.5278 106.5947 45.7778 0.0000 172.7660 98 Y 4.7935 7.7536 116.3345 56.0049 40.0879 176.3689 99 V 4.5321 8.3531 118.0114 60.9382 33.2540 175.1322 100 L 4.9947 7.9026 119.9971 52.0833 44.7609 174.3649 101 P 4.7955 0.0000 0.0000 62.6773 32.2273 175.9898 102 A 4.3523 8.9075 123.2697 52.2000 19.9287 176.4308 103 V 5.0335 8.1356 118.8365 61.4418 34.4750 174.1174 104 Y 5.1103 9.3165 124.2934 56.2316 42.5636 174.2239 105 V 4.6422 8.6859 122.1674 60.7807 34.3110 174.4208 106 L 4.6317 9.4576 130.8788 54.6971 42.7842 176.1780 107 R 4.3066 8.9556 128.3078 58.2918 30.4556 176.9354 108 G 3.9120 9.1210 113.5367 44.3255 0.0000 174.5264 109 G 4.2534 8.0575 109.1770 44.8047 0.0000 173.5331 110 W 4.3278 9.0452 127.4318 60.7721 30.4914 178.6643 111 E 3.9608 8.6893 118.1786 59.6198 29.0136 179.3723 112 A 4.0494 8.1189 120.6722 54.8365 18.4436 179.4426 113 F 4.0830 8.2712 119.2406 61.7542 39.5361 176.7613 114 Y 3.2087 7.9686 119.3759 60.5634 38.2304 177.3461 115 H 4.0378 7.9871 118.3658 59.4241 29.9939 176.3901 116 M 3.9059 7.5359 118.4676 57.0113 32.3998 176.0353 117 Y 4.3232 7.2043 113.6796 57.0710 39.8056 177.6625 118 G 2.4028 7.8585 109.7394 47.2605 0.0000 174.5451 119 D 4.4816 7.5563 117.8817 54.3911 40.4034 177.7398 120 V 3.9793 7.4427 111.2040 62.2501 32.9896 176.0903 121 R 4.7743 8.0646 119.1577 54.4520 30.2762 174.5722 122 P 4.3737 0.0000 0.0000 64.5555 32.0613 178.5811 123 D 4.3692 7.9812 118.3332 55.9184 39.4773 177.0702 124 L 4.4996 7.9203 118.2379 55.6960 42.3892 176.0980 125 M 5.1592 7.7979 119.2586 53.9653 34.3222 174.7638 126 Y 4.7346 8.8843 120.1961 56.2051 42.2574 174.8887 127 V 4.6640 8.2824 114.0553 59.6785 36.9888 174.2453 128 K 5.1282 8.6845 120.2120 54.7291 34.2297 175.8340 129 L 4.4966 9.1433 126.8079 55.1940 45.1065 174.7245 130 G 4.1696 9.5948 114.2788 44.1045 0.0000 172.7080 131 P 4.4259 0.0000 0.0000 64.1848 32.3125 177.0951 132 E 4.4055 7.8799 118.3777 54.1253 31.8164 174.6559 133 Q 4.0508 8.3861 118.6568 55.7479 26.2980 172.5340 134 K 4.3064 8.1634 124.2799 55.7177 33.6865 175.5634 135 L 4.9449 8.5368 129.3889 54.9194 43.1404 175.7574 136 I 4.7093 8.9213 126.4888 59.3243 41.7388 174.7112 137 S 3.7456 8.2597 123.5125 57.9277 63.7026 174.8720 138 E 3.9752 8.3795 120.6617 58.5242 29.1407 179.2952 139 E 3.8573 7.9138 119.5323 59.4710 29.7928 178.3285 140 D 4.3394 7.9582 118.9332 57.2575 40.9497 178.5522 141 L 3.9273 8.1185 121.0211 58.0090 42.0188 178.9753 142 N 4.3019 8.1041 116.5155 56.4913 38.5727 177.0409 143 S 4.0389 8.1037 116.1676 62.1533 62.7826 176.7810 144 A 4.0988 8.1162 122.4724 55.3219 18.1332 179.6000 145 V 3.7172 7.5123 115.7120 66.0105 31.7265 177.5592 146 D 4.4979 7.8823 117.5899 57.7054 40.8245 176.3445 147 H 4.3665 7.8415 119.2995 56.1658 28.6679 175.1880 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 3 N 8.41 4.40 0.00 2.61 2.69 0.00 0.00 6.73 6.57 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 4 Y 7.17 4.77 0.00 2.74 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 5 T 8.97 4.79 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 1.18 0.00 0.00 6 Y 8.78 5.19 0.00 3.00 3.06 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 0.00 0.00 0.00 7 I 8.87 4.88 1.91 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.95 1.01 0.00 0.00 8 K 9.79 4.74 0.00 1.90 1.97 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.61 7.81 9 P 0.00 4.55 0.00 2.40 2.50 0.00 3.73 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 10 E 8.41 4.49 0.00 2.14 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 2.47 2.49 0.00 11 E 8.20 4.02 0.00 2.18 1.99 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 2.43 2.41 0.00 12 L 8.16 3.93 0.00 1.76 1.90 0.85 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.98 3.54 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 0.72 0.00 0.00 0.11 0.00 0.00 14 E 7.75 3.89 0.00 2.11 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 0.00 2.32 2.36 0.00 15 L 7.67 4.11 0.00 1.91 1.66 0.79 0.48 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 16 L 8.11 4.13 0.00 1.71 1.73 0.98 0.90 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 17 D 7.72 4.80 0.00 2.83 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 18 N 7.42 4.67 0.00 2.72 2.68 0.00 0.00 7.05 7.59 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 19 P 0.00 4.39 0.00 2.05 2.08 0.00 3.72 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 2.02 2.16 0.00 20 D 8.14 4.48 0.00 2.76 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 21 S 9.75 4.12 0.00 4.21 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 22 L 8.30 3.88 0.00 1.92 1.81 0.91 1.11 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 23 V 7.25 3.85 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 0.81 0.00 0.00 0.90 0.00 0.00 24 K 8.10 4.33 0.00 1.98 1.81 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.59 1.35 7.81 25 A 7.66 5.26 1.20 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 0.00 0.00 26 A 8.94 4.69 1.08 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 0.00 0.00 27 V 8.15 4.53 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.85 0.00 0.00 28 I 8.63 4.38 0.56 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 -0.36 0.32 0.00 0.00 29 D 8.80 4.59 0.00 2.58 2.36 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 30 C 8.79 5.40 0.00 3.01 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 31 R 7.99 4.39 0.00 1.90 2.10 0.00 3.14 0.00 0.00 3.53 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 32 D 8.44 4.50 0.00 2.77 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 33 S 8.70 4.30 0.00 3.99 4.02 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 0.00 0.00 0.00 34 D 7.93 4.61 0.00 2.86 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 35 R 7.92 3.80 0.00 1.74 1.88 0.00 2.99 0.00 0.00 2.88 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 36 D 7.95 4.71 0.00 2.71 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 37 C 7.72 3.90 0.00 2.90 3.05 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 0.00 0.00 0.00 38 G 6.01 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 39 F 6.75 3.81 0.00 3.04 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 40 I 8.16 4.82 1.95 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 1.82 0.80 0.94 0.00 0.00 41 V 8.14 3.60 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 0.48 0.00 0.00 0.54 0.00 0.00 42 N 8.82 4.15 0.00 2.82 2.89 0.00 0.00 7.01 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 43 S 7.71 4.38 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.70 4.31 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.59 0.75 0.00 0.00 45 N 8.52 4.86 0.00 2.49 2.56 0.00 0.00 6.93 7.65 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 46 M 8.66 4.56 0.00 1.75 1.87 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 47 P 0.00 4.69 0.00 2.05 1.96 0.00 3.52 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 2.05 2.18 0.00 48 T 8.85 3.90 4.30 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 1.27 0.00 0.00 49 I 7.92 3.93 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.92 0.00 0.00 50 S 7.38 4.70 0.00 3.94 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 51 C 8.74 4.04 0.00 2.94 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 0.00 0.00 0.00 0.00 52 T 8.07 4.62 4.29 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 1.23 0.00 0.00 53 E 8.79 4.14 0.00 2.13 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 0.00 2.61 2.46 0.00 54 E 8.25 4.08 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 55 M 7.75 4.04 0.00 1.86 2.07 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 2.58 2.52 0.00 56 Y 8.00 4.26 0.00 3.36 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 57 E 8.53 4.05 0.00 2.23 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 2.53 0.00 58 K 8.43 3.99 0.00 1.84 1.94 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 59 L 8.18 4.02 0.00 2.09 2.11 0.70 1.19 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 60 A 8.65 4.32 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 61 K 8.37 3.79 0.00 2.03 2.10 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.68 7.81 62 T 8.39 3.90 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 63 L 8.44 4.01 0.00 1.83 1.78 0.78 1.01 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 64 F 8.08 3.88 0.00 2.39 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 65 E 8.30 4.09 0.00 1.98 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 2.53 2.78 0.00 66 E 8.21 4.14 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 67 K 8.07 3.64 0.00 1.70 1.75 0.00 1.49 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.21 7.81 68 K 7.96 4.19 0.00 1.83 1.75 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.53 7.81 69 E 9.65 4.70 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 70 L 7.89 5.55 0.00 1.59 1.53 0.92 0.38 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 71 A 9.58 4.96 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 72 V 8.58 4.79 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 0.99 0.00 0.00 0.91 0.00 0.00 73 F 9.67 5.03 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 74 H 9.08 5.48 0.00 3.31 3.40 0.00 5.40 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 C 8.86 5.29 0.00 3.04 2.64 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 76 A 9.18 4.31 1.46 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 77 Q 8.24 4.70 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 78 S 8.15 3.89 0.00 4.34 4.09 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 0.00 0.00 0.00 79 L 8.23 4.56 0.00 1.68 1.76 0.96 0.93 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 80 V 7.42 4.30 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 1.07 0.00 0.00 0.97 0.00 0.00 81 R 7.99 4.02 0.00 1.94 2.00 0.00 3.21 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 82 A 7.92 4.06 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 83 P 0.00 3.74 0.00 2.26 1.98 0.00 3.72 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 2.21 2.16 0.00 84 K 8.21 4.01 0.00 2.03 1.89 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.59 7.81 85 G 8.41 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 86 A 7.91 2.59 0.71 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 0.00 0.00 0.00 0.00 0.00 0.00 87 N 8.35 4.25 0.00 2.83 2.84 0.00 0.00 7.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.87 3.69 0.00 1.04 0.86 0.00 2.95 0.00 0.00 2.71 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 89 F 8.11 4.26 0.00 3.49 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 90 A 8.06 4.06 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 91 L 7.92 3.82 0.00 1.95 1.63 0.85 0.45 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 92 A 7.95 3.95 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 7.96 3.90 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.17 1.41 0.00 94 K 8.06 3.91 0.00 1.82 1.86 0.00 1.58 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.38 7.81 95 K 7.83 3.86 0.00 1.74 2.03 0.00 1.82 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.43 7.81 96 L 7.57 4.15 0.00 1.45 1.27 1.08 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.53 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 98 Y 7.75 4.79 0.00 2.76 2.80 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 99 V 8.35 4.53 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 0.82 0.00 0.00 0.95 0.00 0.00 100 L 7.90 4.99 0.00 1.89 1.74 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.80 0.00 2.16 2.22 0.00 4.04 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.18 0.00 102 A 8.91 4.35 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.14 5.03 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 1.05 0.00 0.00 1.29 0.00 0.00 104 Y 9.32 5.11 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.69 4.64 1.22 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 0.98 0.00 0.00 -0.12 0.00 0.00 106 L 9.46 4.63 0.00 1.83 1.67 1.09 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.96 4.31 0.00 1.97 1.98 0.00 3.19 0.00 0.00 3.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 108 G 9.12 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 0.00 109 G 8.06 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 0.00 0.00 0.00 0.00 110 W 9.05 4.33 0.00 3.59 3.31 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 0.00 111 E 8.69 3.96 0.00 2.24 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 2.50 2.64 0.00 112 A 8.12 4.05 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 0.00 113 F 8.27 4.08 0.00 3.15 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 0.00 114 Y 7.97 3.21 0.00 1.97 2.62 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 0.00 115 H 7.99 4.04 0.00 3.29 3.45 0.00 5.99 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 7.54 3.91 0.00 1.79 1.83 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.93 0.00 117 Y 7.20 4.32 0.00 2.53 2.40 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 0.00 118 G 7.86 2.40 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 0.00 119 D 7.56 4.48 0.00 2.68 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 0.00 120 V 7.44 3.98 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 0.65 0.00 0.00 0.85 0.00 0.00 121 R 8.06 4.77 0.00 1.65 1.72 0.00 3.28 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 1.67 1.64 0.00 122 P 0.00 4.37 0.00 2.26 2.26 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.91 0.00 123 D 7.98 4.37 0.00 2.85 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.50 0.00 1.83 1.99 0.77 0.91 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 0.00 125 M 7.80 5.16 0.00 2.42 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 126 Y 8.88 4.73 0.00 2.37 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 0.00 127 V 8.28 4.66 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 0.63 0.00 0.00 0.88 0.00 0.00 128 K 8.68 5.13 0.00 1.72 1.77 0.00 1.94 0.00 0.00 1.68 0.00 0.00 2.68 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.43 1.69 7.81 129 L 9.14 4.50 0.00 1.69 1.48 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 130 G 9.59 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 0.00 0.00 0.00 0.00 131 P 0.00 4.43 0.00 2.19 2.11 0.00 3.89 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 2.09 1.99 0.00 132 E 7.88 4.41 0.00 1.90 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 2.19 2.35 0.00 133 Q 8.39 4.05 0.00 2.17 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 134 K 8.16 4.31 0.00 1.89 1.69 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.41 7.81 135 L 8.54 4.94 0.00 1.81 1.68 1.39 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 136 I 8.92 4.71 1.87 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 1.25 0.93 0.93 0.00 0.00 137 S 8.26 3.75 0.00 3.64 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 0.00 138 E 8.38 3.98 0.00 2.06 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 2.33 2.45 0.00 139 E 7.91 3.86 0.00 2.09 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 0.00 2.35 2.37 0.00 140 D 7.96 4.34 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 0.00 141 L 8.12 3.93 0.00 1.95 1.74 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.10 4.30 0.00 3.02 2.82 0.00 0.00 6.93 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.10 4.04 0.00 4.05 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 0.00 144 A 8.12 4.10 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 0.00 145 V 7.51 3.72 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 0.86 0.00 0.00 0.95 0.00 0.00 146 D 7.88 4.50 0.00 2.86 2.62 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 0.00 147 H 7.84 4.37 0.00 3.34 3.20 0.00 5.69 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