NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2916 8.2993 120.1368 56.6733 34.3470 176.8173 8 T 4.0950 7.4717 108.6879 60.4918 70.9509 173.5578 9 N 4.2761 8.8662 119.3154 56.6453 38.9557 178.6571 10 Q 3.9694 7.9530 120.1301 59.6882 29.3213 178.2818 11 T 3.9510 8.4913 117.0526 66.4064 68.3855 176.8059 12 L 3.9996 8.3692 121.5782 57.6504 41.6087 179.6073 13 V 3.5269 7.5047 118.2006 66.0772 31.5263 177.7868 14 E 3.9883 8.2138 118.1630 59.6942 29.3545 179.2471 15 N 4.4314 8.3944 116.6723 56.3310 38.7070 177.6974 16 S 4.2058 8.1757 115.7636 61.3894 63.0136 176.5878 17 L 4.1447 8.2052 122.7168 57.7133 41.3645 179.1482 18 N 4.4512 8.3802 116.4756 56.5510 38.3444 177.6211 19 T 4.2322 7.9154 118.4780 66.3990 68.5205 176.8264 20 Q 4.1578 8.1960 119.7486 58.6754 28.7530 178.2435 21 L 4.1028 8.5527 121.9680 58.5317 41.9879 179.3705 22 S 4.0926 8.2166 114.8441 61.6206 62.7572 176.3524 23 N 4.2779 8.4740 119.3605 56.3178 38.2835 177.5838 24 W 4.0506 8.4837 120.3840 59.5272 29.1321 178.4861 25 F 3.8370 8.2470 120.8563 61.1983 38.6732 177.3159 26 L 4.1250 8.1830 118.7023 57.4069 41.2481 179.3044 27 L 3.6612 8.0208 120.6774 58.0723 41.8910 177.9849 28 Y 4.0280 8.0408 119.6655 60.9140 38.6342 178.2874 29 S 3.7966 7.8232 113.4418 61.2573 62.4933 176.0278 30 K 3.4499 7.8527 122.2889 59.3456 31.7537 178.7130 31 L 3.5512 7.7463 119.3981 57.7032 41.4182 179.3167 32 H 3.1747 7.2684 116.4157 58.3300 28.4915 177.5854 33 R 4.1507 7.2869 120.1797 59.6782 29.8728 178.5607 34 F 4.4673 7.8786 117.5117 60.8712 38.5390 176.8903 35 H 4.3670 8.2496 117.0990 59.3991 29.6235 176.7409 36 W 4.7648 8.1968 119.0819 58.3551 29.2676 176.6663 37 Y 4.6742 8.0812 113.8168 57.3012 38.8358 176.5111 38 V 3.9381 7.9399 120.5983 61.9243 31.8341 175.3337 39 K 4.5637 8.4373 120.1131 56.1714 35.6308 175.2776 40 G 3.9425 8.6275 105.3841 43.9642 0.0000 172.2109 41 P 4.3428 0.0000 0.0000 64.8717 31.5629 176.6151 42 H 4.7826 8.0250 116.0453 55.8187 29.1930 176.2481 43 F 3.8638 8.4197 124.1328 61.6968 38.9874 177.5662 44 F 3.9451 8.0109 116.3221 60.7626 38.7499 177.6741 45 T 3.8022 7.9154 114.8178 66.6840 68.2391 176.4966 46 L 3.3170 7.7346 120.6693 57.2454 41.3273 178.6033 47 H 3.8526 7.7418 118.5696 59.3904 29.6216 177.1619 48 E 3.8261 7.8563 120.0462 59.1101 29.2960 179.1034 49 K 3.7455 7.9267 119.9457 59.6538 32.2004 178.8340 50 F 4.4836 7.9437 118.2242 60.4752 38.6266 177.3280 51 E 2.0000 7.5916 118.7130 58.5250 29.3155 178.6452 52 E 3.8162 7.7827 118.5536 59.4243 29.4882 179.4130 53 L 4.1788 8.0588 119.2771 57.9100 41.6466 179.1384 54 Y 4.3411 7.9073 117.8285 59.9538 37.9948 177.6612 55 D 4.5586 8.3486 121.1837 57.7477 40.9890 178.3074 56 H 4.4673 8.6857 119.7190 58.5882 29.7520 177.2205 57 A 4.1398 8.4699 122.5478 55.1807 18.4266 179.3574 58 A 3.6762 8.6083 119.7422 55.3713 18.4278 179.7372 59 E 3.8561 7.9990 116.5126 59.7350 29.4996 179.7892 60 T 3.5165 7.5912 115.7287 66.2478 68.3248 176.6472 61 V 3.5489 7.7838 120.5793 66.3065 31.4892 177.6307 62 D 4.2870 7.8697 117.1443 57.5536 41.0174 178.2205 63 T 3.7934 7.9122 116.3303 66.6609 68.3437 176.7335 64 I 3.6396 7.7382 121.3771 64.2745 37.1342 178.3302 65 A 4.0227 7.9745 121.6326 55.3798 18.2415 179.6160 66 E 3.9410 8.3011 117.0526 59.2727 29.4962 179.5615 67 R 3.8904 8.2078 119.1175 59.1970 30.0743 178.2359 68 L 3.9723 8.2218 120.4016 58.1937 42.1067 178.8739 69 L 4.1119 8.1224 118.6462 57.9832 41.3897 179.4715 70 A 4.0937 7.9785 119.4623 54.5397 18.3463 178.6637 71 I 4.2035 7.5331 109.1807 61.0014 38.0960 176.6297 72 G 3.8747 8.1286 109.0635 45.5614 0.0000 173.9439 73 G 3.9032 7.9323 109.3909 44.1528 0.0000 173.6635 74 Q 4.4467 8.1765 117.8673 52.8328 29.8424 173.8553 75 P 4.3994 0.0000 0.0000 62.3329 32.0007 177.2219 76 V 3.7112 8.1441 114.4200 62.1034 32.0145 176.6358 77 A 4.5760 8.0142 123.2979 51.7713 20.1171 176.8865 78 T 4.3897 6.7788 108.5720 60.5830 73.3417 174.5294 79 V 3.6100 7.9251 114.9919 64.1759 31.6068 178.7618 80 K 3.8787 7.8323 119.0351 59.6400 32.0425 178.5918 81 E 3.9651 7.7243 118.5234 59.4628 29.2001 178.8392 82 Y 4.5254 7.6866 118.4835 60.8749 37.7270 178.8147 83 T 3.9236 7.8858 115.2289 67.0013 68.7115 176.3038 84 E 4.1191 8.0844 118.6627 58.9448 29.5524 178.1912 85 H 4.6082 8.6948 115.3607 55.6445 29.4324 175.3697 86 A 4.2806 7.4849 123.4247 52.1909 18.7061 177.3641 87 S 4.5707 9.1503 114.0964 57.9673 63.9319 173.5555 88 I 4.5425 7.5350 113.4470 59.1812 40.3022 173.8763 89 T 4.6516 7.9426 113.4530 60.3212 70.0576 172.9434 90 D 4.4625 8.5772 123.8859 53.4355 40.1168 176.7723 91 G 3.8075 7.8485 109.8274 44.5797 0.0000 172.6636 92 G 4.4908 7.3227 106.9676 44.7121 0.0000 172.3192 93 N 4.9725 7.9569 116.2062 52.4993 39.2153 175.0129 94 E 4.0362 8.3452 118.3808 57.3193 30.1257 177.2236 95 T 4.2798 9.2240 119.4619 64.7750 71.0963 175.7197 96 S 4.4884 8.0084 115.1862 57.4114 65.5608 174.6275 97 A 4.0114 8.5707 124.7171 55.8057 18.0544 180.3994 98 S 4.2252 8.0887 112.9637 61.6903 62.9957 176.5577 99 E 3.9033 8.2216 121.3268 59.6004 29.1842 179.3399 100 M 2.9866 7.6957 118.5844 58.0119 31.9138 179.0141 101 V 3.5655 7.6468 118.2958 66.0637 31.6456 177.8530 102 Q 3.9835 8.3494 119.2691 58.9100 28.8538 177.9425 103 A 3.9825 8.0265 121.9012 55.1925 18.3835 179.5304 104 L 3.7733 7.9140 117.4206 57.9217 41.6700 179.8806 105 V 3.7363 7.9277 118.0537 66.1592 31.5617 177.8060 106 N 4.3291 8.3429 116.1498 56.6118 38.3487 177.2458 107 D 4.2769 8.1211 120.1912 57.4041 40.7314 178.5007 108 Y 4.1515 8.2571 117.8074 60.8045 37.8660 178.3165 109 K 4.0227 8.3953 119.6882 59.4447 32.1604 179.0617 110 Q 3.9644 7.9778 119.4263 59.3532 28.9141 178.4430 111 I 3.7209 7.9616 120.9759 64.3028 37.0906 178.3166 112 S 4.2277 8.5315 114.4931 61.5773 62.1916 176.3199 113 S 4.2095 8.2278 116.8872 61.7222 62.5689 176.2710 114 E 4.0853 8.3618 122.0084 59.0105 29.3152 179.2960 115 S 4.2170 8.5680 115.6523 61.4868 62.7571 176.8342 116 K 4.0710 8.2495 121.3602 59.3846 31.8133 179.0520 117 F 4.0071 8.1227 121.1236 61.2205 39.2316 177.1875 118 V 3.4498 8.0023 117.8643 66.0343 31.0947 177.8919 119 I 3.7876 7.6090 119.0422 64.4159 36.9728 178.5134 120 G 3.4786 7.6420 106.4094 47.8198 0.0000 175.6730 121 L 3.8241 7.6032 121.4069 57.2596 41.5128 179.5386 122 A 3.9645 8.2837 121.1070 55.2589 18.4035 179.5677 123 E 3.8903 8.4519 117.4905 59.5003 29.2962 179.1962 124 E 4.0449 8.0515 118.3112 58.2074 29.6426 177.1677 125 N 4.7379 7.5264 115.4606 52.2672 39.3941 174.1181 126 Q 3.3685 7.6229 115.1824 56.7230 27.1658 175.0531 127 D 4.7866 7.9725 117.7452 52.8617 40.1730 174.7166 128 N 4.3971 8.2442 122.1117 55.4772 38.9627 176.4252 129 A 4.0240 7.9556 121.9908 55.3001 18.4187 179.6687 130 T 3.8770 8.2596 114.0505 66.7527 68.5051 176.5244 131 A 4.1300 7.7899 122.7708 55.5391 18.3587 179.1586 132 D 4.2748 8.3264 116.3096 57.2821 41.2398 178.1099 133 L 3.8114 7.7792 120.4656 58.3627 42.0638 179.1517 134 F 3.9972 8.0316 117.7054 60.1484 38.8971 177.8259 135 V 3.7655 8.3635 118.6702 66.0662 31.2303 178.3436 136 G 3.6290 8.0986 105.3606 47.4507 0.0000 175.6537 137 L 4.0429 7.8783 121.4416 57.4741 41.5898 179.5915 138 I 3.8257 8.0435 119.8025 64.4667 37.1430 178.1150 139 E 3.9742 8.0599 118.9503 59.5857 29.3486 179.2335 140 E 4.0244 8.0007 118.8127 59.3515 29.6413 179.2544 141 V 3.4777 8.3388 112.9577 64.4826 31.6709 178.5064 142 E 4.0424 8.4760 118.3181 58.8314 29.2298 179.3100 143 K 4.0489 7.8824 119.9174 59.7761 32.3172 178.8583 144 Q 3.9287 7.9739 118.2681 58.8139 28.5142 178.7783 145 V 3.6371 8.0276 119.6557 65.8673 31.4612 177.7723 146 W 4.2695 8.2266 127.8153 60.8251 30.5532 177.8615 147 M 3.1134 7.9729 118.3464 58.2019 31.1824 178.8586 148 L 3.9888 7.9917 118.1124 57.8465 41.6587 179.4657 149 S 4.3037 8.2763 115.2863 61.5472 62.6796 176.8772 150 S 4.0295 8.0092 118.0629 61.6851 62.3021 175.7861 151 Y 3.9515 7.5704 120.9962 60.7304 38.5165 177.6330 152 L 4.4392 7.6239 116.0001 55.0481 42.0350 177.1387 153 G 3.7291 7.8991 114.0767 45.6227 0.0000 173.8445 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 7 K 8.30 4.29 0.00 1.77 1.95 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.45 7.81 8 T 7.47 4.09 4.24 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 1.21 0.00 0.00 9 N 8.87 4.28 0.00 2.74 2.91 0.00 0.00 6.45 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 10 Q 7.95 3.97 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 11 T 8.49 3.95 4.34 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 1.26 0.00 0.00 12 L 8.37 4.00 0.00 1.84 1.73 0.95 0.69 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 13 V 7.50 3.53 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 1.04 0.00 0.00 0.96 0.00 0.00 14 E 8.21 3.99 0.00 2.21 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 2.35 2.57 0.00 15 N 8.39 4.43 0.00 2.77 2.91 0.00 0.00 6.83 6.99 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 16 S 8.18 4.21 0.00 4.08 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 17 L 8.21 4.14 0.00 1.98 1.88 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.38 4.45 0.00 2.96 2.87 0.00 0.00 7.03 6.36 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 19 T 7.92 4.23 4.45 0.00 0.00 0.00 0.00 0.00 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 20 Q 8.20 4.16 0.00 2.44 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 21 L 8.55 4.10 0.00 1.94 2.04 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.22 4.09 0.00 4.25 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 0.00 23 N 8.47 4.28 0.00 2.84 2.62 0.00 0.00 7.07 8.48 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 24 W 8.48 4.05 0.00 3.43 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.25 3.84 0.00 2.46 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 0.00 0.00 0.00 0.00 26 L 8.18 4.13 0.00 1.71 1.67 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.02 3.66 0.00 1.53 1.64 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 8.04 4.03 0.00 2.93 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 29 S 7.82 3.80 0.00 3.96 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.85 3.45 0.00 1.50 1.45 0.00 1.34 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.78 7.81 31 L 7.75 3.55 0.00 1.75 1.70 0.98 1.15 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 32 H 7.27 3.17 0.00 2.56 1.53 0.00 5.82 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.29 4.15 0.00 1.89 1.85 0.00 3.05 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 34 F 7.88 4.47 0.00 2.31 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 0.00 0.00 0.00 35 H 8.25 4.37 0.00 3.21 3.30 0.00 5.94 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 36 W 8.20 4.76 0.00 3.64 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 37 Y 8.08 4.67 0.00 3.31 3.10 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 38 V 7.94 3.94 2.56 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 0.86 0.00 0.00 1.03 0.00 0.00 39 K 8.44 4.56 0.00 1.84 1.86 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.49 7.81 40 G 8.63 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 0.00 0.00 0.00 41 P 0.00 4.34 0.00 2.10 2.17 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 42 H 8.02 4.78 0.00 3.33 3.46 0.00 5.66 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.42 3.86 0.00 3.11 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.01 3.95 0.00 3.16 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 45 T 7.92 3.80 4.38 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 0.00 0.00 0.00 1.16 0.00 0.00 46 L 7.73 3.32 0.00 1.28 0.64 0.76 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 H 7.74 3.85 0.00 2.08 2.64 0.00 5.78 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 48 E 7.86 3.83 0.00 2.15 1.89 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 2.32 2.34 0.00 49 K 7.93 3.75 0.00 1.71 1.48 0.00 1.46 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.48 7.81 50 F 7.94 4.48 0.00 3.01 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 51 E 7.59 2.00 0.00 1.40 1.69 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 1.85 1.47 0.00 52 E 7.78 3.82 0.00 2.17 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 2.25 2.38 0.00 53 L 8.06 4.18 0.00 1.98 1.95 1.18 0.74 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 54 Y 7.91 4.34 0.00 2.78 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.35 4.56 0.00 2.89 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 56 H 8.69 4.47 0.00 3.22 3.56 0.00 5.63 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 57 A 8.47 4.14 1.77 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 58 A 8.61 3.68 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 59 E 8.00 3.86 0.00 2.08 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 2.29 2.45 0.00 60 T 7.59 3.52 3.33 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 -0.40 0.00 0.00 61 V 7.78 3.55 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 62 D 7.87 4.29 0.00 2.81 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 63 T 7.91 3.79 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 1.06 0.00 0.00 64 I 7.74 3.64 1.87 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 1.27 0.51 1.09 0.00 0.00 65 A 7.97 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 66 E 8.30 3.94 0.00 2.08 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 2.32 2.54 0.00 67 R 8.21 3.89 0.00 1.91 2.08 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 68 L 8.22 3.97 0.00 1.98 1.79 0.99 1.00 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 69 L 8.12 4.11 0.00 1.91 1.71 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 70 A 7.98 4.09 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 71 I 7.53 4.20 1.89 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 1.78 0.69 1.04 0.00 0.00 72 G 8.13 3.87 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 0.00 0.00 0.00 73 G 7.93 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 74 Q 8.18 4.45 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 75 P 0.00 4.40 0.00 2.21 2.10 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 76 V 8.14 3.71 1.86 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 0.46 0.00 0.00 1.00 0.00 0.00 77 A 8.01 4.58 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 6.78 4.39 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 1.05 0.00 0.00 79 V 7.93 3.61 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 0.88 0.00 0.00 0.94 0.00 0.00 80 K 7.83 3.88 0.00 1.77 1.72 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.47 1.51 7.81 81 E 7.72 3.97 0.00 1.84 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 0.00 2.27 2.23 0.00 82 Y 7.69 4.53 0.00 2.91 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 83 T 7.89 3.92 4.41 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 1.23 0.00 0.00 84 E 8.08 4.12 0.00 1.98 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 2.34 2.49 0.00 85 H 8.69 4.61 0.00 3.31 3.40 0.00 5.62 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 86 A 7.48 4.28 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 87 S 9.15 4.57 0.00 3.90 3.95 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 88 I 7.53 4.54 1.76 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.65 0.80 0.00 0.00 89 T 7.94 4.65 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 1.18 0.00 0.00 90 D 8.58 4.46 0.00 2.70 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 91 G 7.85 3.81 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 0.00 92 G 7.32 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 N 7.96 4.97 0.00 2.67 2.77 0.00 0.00 6.95 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.35 4.04 0.00 2.05 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 95 T 9.22 4.28 4.36 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 1.23 0.00 0.00 96 S 8.01 4.49 0.00 4.07 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 97 A 8.57 4.01 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.23 0.00 3.92 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 99 E 8.22 3.90 0.00 2.13 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 2.30 2.33 0.00 100 M 7.70 2.99 0.00 0.64 1.85 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 2.45 1.48 0.00 101 V 7.65 3.57 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 0.65 0.00 0.00 102 Q 8.35 3.98 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 103 A 8.03 3.98 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.91 3.77 0.00 1.98 1.85 1.00 0.71 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 0.00 105 V 7.93 3.74 2.26 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 1.16 0.00 0.00 1.06 0.00 0.00 106 N 8.34 4.33 0.00 2.91 2.83 0.00 0.00 7.08 7.64 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 0.00 107 D 8.12 4.28 0.00 2.34 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 0.00 108 Y 8.26 4.15 0.00 3.05 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 0.00 109 K 8.40 4.02 0.00 2.03 1.90 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.66 7.81 110 Q 7.98 3.96 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 111 I 7.96 3.72 1.99 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.40 1.12 0.00 0.00 112 S 8.53 4.23 0.00 4.06 4.08 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 S 8.23 4.21 0.00 4.13 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.36 4.09 0.00 2.11 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 2.27 2.46 0.00 115 S 8.57 4.22 0.00 4.21 4.32 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 0.00 0.00 0.00 0.00 116 K 8.25 4.07 0.00 2.08 1.93 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.67 7.81 117 F 8.12 4.01 0.00 3.07 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 0.00 118 V 8.00 3.45 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 0.39 0.00 0.00 0.63 0.00 0.00 119 I 7.61 3.79 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.83 0.92 0.00 0.00 120 G 7.64 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.60 3.82 0.00 1.73 1.63 0.98 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.28 3.96 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 0.00 123 E 8.45 3.89 0.00 2.02 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 2.32 2.49 0.00 124 E 8.05 4.04 0.00 1.95 2.13 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 2.27 2.32 0.00 125 N 7.53 4.74 0.00 2.69 2.85 0.00 0.00 7.34 8.29 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 0.00 126 Q 7.62 3.37 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 127 D 7.97 4.79 0.00 2.67 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 0.00 128 N 8.24 4.40 0.00 2.78 2.86 0.00 0.00 6.89 7.09 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 0.00 129 A 7.96 4.02 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.26 3.88 4.41 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 1.38 0.00 0.00 131 A 7.79 4.13 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 0.00 132 D 8.33 4.27 0.00 2.87 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.78 3.81 0.00 1.68 1.79 0.33 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.03 4.00 0.00 3.32 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 0.00 135 V 8.36 3.77 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 1.03 0.00 0.00 1.06 0.00 0.00 136 G 8.10 3.63 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 0.00 137 L 7.88 4.04 0.00 1.91 1.89 0.46 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.04 3.83 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.95 0.98 0.00 0.00 139 E 8.06 3.97 0.00 2.20 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 2.35 2.57 0.00 140 E 8.00 4.02 0.00 2.03 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 2.06 2.22 0.00 141 V 8.34 3.48 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 1.29 0.00 0.00 1.16 0.00 0.00 142 E 8.48 4.04 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 2.40 2.53 0.00 143 K 7.88 4.05 0.00 1.90 2.04 0.00 1.67 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.66 7.81 144 Q 7.97 3.93 0.00 1.72 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.22 0.00 145 V 8.03 3.64 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 1.08 0.00 0.00 1.11 0.00 0.00 146 W 8.23 4.27 0.00 3.52 3.51 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 0.00 147 M 7.97 3.11 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.15 0.00 148 L 7.99 3.99 0.00 1.61 1.76 1.12 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.28 4.30 0.00 3.92 3.95 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 0.00 150 S 8.01 4.03 0.00 3.58 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 0.00 151 Y 7.57 3.95 0.00 2.86 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.62 4.44 0.00 1.88 1.72 0.97 0.94 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 0.00 153 G 7.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00