NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1071 8.0549 114.0559 60.8681 33.0747 174.4013 2 L 3.9276 8.1076 120.3813 53.0385 41.9791 176.4774 3 S 4.4393 9.1272 118.5997 57.6823 66.1463 174.6433 4 E 4.2146 9.0062 123.7978 59.9962 29.3886 179.5577 5 G 3.7251 8.1857 104.7794 47.8004 0.0000 175.3412 6 E 3.9114 8.0329 120.6184 59.1839 29.4560 179.3947 7 W 4.5595 8.3118 119.1381 59.8935 29.0360 178.4589 8 Q 4.0603 8.3836 119.6171 59.0167 28.4083 177.8935 9 L 4.0338 7.8251 119.6605 57.9616 41.7604 179.6784 10 V 3.7668 7.7598 117.4700 66.3066 31.5853 178.0410 11 L 4.3374 8.4403 118.2046 57.2585 41.2413 179.0494 12 H 4.1768 8.1912 118.1234 59.5244 30.2639 177.4872 13 V 3.7349 7.7936 114.2915 63.9393 31.3250 178.4250 14 W 3.9186 8.5650 128.0865 60.0929 30.2682 177.8475 15 A 4.0122 7.9736 120.0192 54.5226 18.0515 179.3298 16 K 3.9460 7.7829 117.5203 59.1034 32.1737 179.2889 17 V 2.7605 7.2046 118.0764 66.0200 30.8785 177.8047 18 E 3.8042 7.5691 116.2012 58.7900 29.2814 178.7222 19 A 4.1777 7.4068 119.7175 53.6608 20.0428 177.5731 20 D 4.6692 7.8879 116.5904 52.2749 42.6324 175.6671 21 V 3.4344 7.7816 123.3601 65.7590 32.1789 176.8022 22 A 4.0439 7.9624 120.1937 55.0324 18.3105 179.6476 23 G 3.4988 8.3717 104.2215 48.3960 0.0000 175.6818 24 H 4.1923 8.3956 119.0657 58.2065 28.5757 178.1454 25 G 3.5759 8.3502 107.9595 47.8506 0.0000 175.7813 26 Q 3.8794 8.0209 120.6003 58.7950 28.7140 178.6721 27 D 4.2944 7.9536 119.8403 57.2602 40.7828 178.9504 28 I 3.6276 7.8463 120.4097 64.4704 37.0751 178.5725 29 L 3.4432 7.8438 119.7880 57.3667 41.2673 179.6975 30 I 3.5678 7.5502 119.7592 64.2506 37.0364 178.2071 31 R 3.7665 7.8917 119.5694 59.3555 29.8659 177.9323 32 L 3.9156 7.7328 119.8494 58.5384 41.8869 179.1154 33 F 4.5452 8.0263 117.7540 60.5070 38.5318 177.8436 34 K 4.0541 8.0989 117.4572 59.2546 32.0531 179.2432 35 S 4.3483 8.0653 114.7076 60.1132 63.9633 174.3341 36 H 4.6913 8.0238 118.3501 52.9372 29.8368 171.8695 37 P 4.5447 0.0000 0.0000 64.4627 31.9063 178.5915 38 E 4.0721 8.4213 116.4152 59.6063 29.7115 179.2366 39 T 3.9254 8.2803 110.6118 64.5270 68.5958 176.1262 40 L 3.8494 8.0002 122.5309 57.4545 41.7996 178.0590 41 E 4.1456 7.8537 118.0656 58.1558 29.6692 178.2494 42 K 4.3326 8.0898 117.3505 57.8157 32.5147 176.5548 43 F 4.5889 8.1538 118.5861 55.4786 38.6612 176.0312 44 D 4.4152 8.5381 126.7251 57.0461 40.9222 178.5616 45 R 3.8473 7.8574 118.2305 58.1506 30.3344 176.6648 46 F 5.1350 7.7467 114.1561 57.0411 40.9711 176.7563 47 K 4.1643 8.1326 119.5489 58.7596 32.3182 177.6642 48 H 4.4277 8.0938 114.6285 57.4232 29.0739 175.5534 49 L 4.1878 7.4235 121.3520 54.4422 42.0755 176.2880 50 K 4.3712 9.4749 122.7010 57.3055 34.4371 177.2964 51 T 4.5709 7.6020 108.0179 59.7867 72.1590 174.9442 52 E 3.8672 8.5996 122.0087 59.5678 29.7337 178.9793 53 A 3.9751 7.9347 120.2010 55.1119 18.2696 179.2314 54 E 3.9119 8.0685 116.1631 59.8432 29.7146 179.0965 55 M 4.1528 8.1729 118.6774 58.5127 31.8291 179.0021 56 K 3.9225 8.2003 117.3684 59.0544 32.2915 178.4343 57 A 4.4121 7.5875 118.4198 51.6897 19.2848 177.0301 58 S 4.3562 7.4585 114.0619 57.1956 63.0345 174.4210 59 E 3.9754 8.9265 128.9776 59.3567 29.4924 178.0343 60 D 4.4105 8.1553 117.7106 57.2679 41.3358 177.7329 61 L 3.4034 8.0109 120.9013 57.9721 42.1331 178.9196 62 K 3.8638 7.9336 119.0573 59.1469 32.0514 178.5674 63 K 3.9330 8.2575 120.2605 59.9533 32.1043 178.2960 64 H 4.4907 8.6193 118.5227 58.9050 29.7542 177.3908 65 G 3.5822 8.3370 108.1039 47.7140 0.0000 175.7491 66 V 3.6068 7.7174 120.4283 66.1326 31.6271 177.7130 67 T 3.8806 7.8964 115.2985 66.9907 68.3611 176.1640 68 V 3.6263 7.9545 119.3964 66.4265 31.5396 178.3210 69 L 4.2358 8.1334 118.4205 58.1502 41.4842 179.6342 70 T 3.9505 8.3581 115.8009 66.5981 68.4254 176.5966 71 A 4.0117 7.9946 122.2485 54.8926 18.3984 179.3661 72 L 3.7026 8.0488 119.0387 58.0844 42.1187 179.3195 73 G 3.2888 8.3273 105.5753 47.8191 0.0000 175.2024 74 A 3.9925 7.6972 122.2101 54.9034 18.5679 179.6391 75 I 3.7817 7.4701 117.8474 64.6175 37.2843 178.6037 76 L 3.9531 7.7063 119.8125 57.7084 41.1791 179.4135 77 K 4.0562 7.6281 116.3835 58.0163 32.3222 178.8918 78 K 3.9128 7.8370 119.0725 56.4452 32.4411 176.6795 79 K 2.0000 8.0081 117.6086 56.4777 29.4608 176.1660 80 G 3.9277 7.8289 106.6658 45.7577 0.0000 173.8994 81 H 5.1923 7.6206 118.6419 54.5436 27.3822 174.8711 82 H 5.8511 7.1153 110.5961 54.4422 29.7865 177.2114 83 E 3.9895 8.4623 121.8932 60.4647 29.0957 178.4811 84 A 4.0247 7.9133 119.2673 55.2075 19.1565 179.0488 85 E 4.0750 8.1311 116.6408 59.5516 29.6136 179.1688 86 L 3.9273 8.2929 120.3936 57.5694 42.2567 178.7810 87 K 4.0152 7.9120 119.7186 58.9959 32.1022 177.0901 88 P 4.3296 0.0000 0.0000 65.0824 31.3344 178.4333 89 L 4.0164 7.4453 117.3626 58.3136 42.0799 179.0109 90 A 4.2704 8.5101 120.9784 54.8686 18.2615 179.6188 91 Q 3.9428 8.0427 116.8919 59.3226 28.8303 179.2536 92 S 4.0839 8.2953 115.1386 61.5844 63.0088 176.0394 93 H 4.3772 8.5980 119.4258 57.9693 28.2726 177.4773 94 A 2.7930 8.0833 122.8097 54.1361 18.4894 178.8449 95 T 3.9454 7.4289 106.4103 62.6505 69.7649 175.9291 96 K 4.0731 7.3175 120.8097 58.5340 32.9838 177.1347 97 H 4.2540 8.1027 114.8484 56.4978 29.2732 175.5883 98 K 3.0976 7.4366 116.9621 56.9621 28.5115 174.7957 99 I 4.2609 8.0342 118.4344 58.8323 37.6053 174.7757 100 P 4.6071 0.0000 0.0000 62.1153 32.2571 178.0033 101 I 3.6412 8.4696 121.0751 64.4862 36.8232 178.8014 102 K 3.7086 7.8546 119.9687 59.6858 31.9696 178.2397 103 Y 4.0400 7.8795 116.7957 60.5899 37.7879 177.9989 104 L 4.2539 7.9197 119.6409 57.2344 41.7372 178.8811 105 E 3.9652 7.8967 119.4564 59.3517 29.6273 178.8141 106 F 4.5111 8.0340 117.9606 60.7347 38.8374 177.5643 107 I 3.8584 8.1331 118.3325 63.9109 37.7405 177.9963 108 S 4.1949 8.3283 116.3121 61.7371 62.7196 176.5746 109 E 4.0271 8.4075 120.8020 59.4785 29.2864 179.3049 110 A 4.0387 8.1631 120.7812 55.0408 18.3158 179.5300 111 I 3.6768 8.0712 118.5492 64.8764 37.2909 178.6973 112 I 3.8010 7.8681 120.3571 64.5048 36.9564 177.7947 113 H 4.0937 8.4090 119.1447 59.4231 29.5927 177.4120 114 V 3.5470 7.8844 119.5828 66.1587 31.4616 177.7440 115 L 3.7578 7.9480 118.8595 58.1054 41.0302 179.2738 116 H 4.4377 7.9528 117.1874 59.3615 29.9622 177.2696 117 S 4.1741 7.6536 115.5193 61.8914 62.8210 176.7695 118 R 4.0114 7.9274 119.3416 58.2824 30.2645 176.7004 119 H 5.0377 8.1979 116.3922 54.2407 30.3460 173.7800 120 P 4.3115 0.0000 0.0000 65.9777 31.0728 178.2751 121 G 3.7793 8.1530 105.8891 47.2395 0.0000 173.3573 122 D 4.9570 8.1981 117.6782 54.0922 42.5061 175.7090 123 F 5.0357 7.9460 120.5388 56.7482 39.5512 174.4557 124 G 3.8990 7.6375 108.7643 44.1548 0.0000 172.1520 125 A 3.8633 8.4043 120.7982 54.8604 18.2858 179.3271 126 D 4.2126 8.0497 117.1083 57.0230 39.2947 178.8723 127 A 3.9782 7.7265 122.5005 54.2262 18.4114 179.4237 128 Q 3.4310 7.7943 117.0631 58.5865 28.6569 179.2735 129 G 3.4365 8.2470 106.8720 47.6922 0.0000 175.5281 130 A 3.8594 7.7795 123.9803 54.9011 18.3062 179.2901 131 M 4.0026 8.1725 116.6466 58.9051 32.2842 177.8638 132 N 4.3009 8.3683 117.1903 56.6085 39.0913 176.9284 133 K 3.8513 8.0477 119.5756 59.5391 32.2558 179.2728 134 A 3.8977 7.9065 120.8627 54.8503 18.2518 179.7312 135 L 4.0569 8.2446 118.0076 57.9327 41.6389 179.4663 136 E 4.0206 8.4800 118.8561 59.2332 29.3347 179.1593 137 L 3.9832 8.1412 120.5194 57.8789 42.1720 178.5379 138 F 4.1054 8.2429 120.5248 61.6461 39.2845 177.3744 139 R 3.5715 8.1868 117.4041 58.8283 29.6927 178.9392 140 K 3.8023 8.3276 119.7703 59.6976 32.0707 178.5964 141 D 4.3190 8.1314 119.0648 57.4829 40.7062 178.9471 142 I 3.5153 7.4962 120.0763 64.0886 36.9127 178.2125 143 A 3.6697 8.1469 121.8527 55.0082 18.0586 179.6440 144 A 3.9095 7.7110 119.1228 55.2958 18.4805 180.0954 145 K 4.0129 7.8132 117.0949 59.5700 32.0646 179.0841 146 Y 4.2533 8.3392 117.2633 61.1068 37.8424 178.6617 147 K 3.8879 8.3545 120.4505 59.5286 32.0725 177.9600 148 E 3.9069 7.8756 118.0479 59.6577 29.6485 178.8071 149 L 4.2074 7.8024 116.4018 55.4278 41.7067 177.4790 150 G 3.8094 7.9169 106.7911 46.6506 0.0000 172.5386 151 Y 4.5000 7.9942 120.0707 56.5528 40.4352 177.5970 152 Q 2.9423 6.6158 120.0296 57.0039 26.3085 176.0082 153 G 3.6608 7.8881 115.1430 46.2259 0.0000 170.2574 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 4.11 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 0.92 0.00 0.00 0.96 0.00 0.00 2 L 8.11 3.93 0.00 0.50 0.55 0.44 -0.89 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 3 S 9.13 4.44 0.00 4.04 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 4 E 9.01 4.21 0.00 2.20 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 0.00 2.44 2.56 0.00 5 G 8.19 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 6 E 8.03 3.91 0.00 2.00 1.71 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 2.21 2.26 0.00 7 W 8.31 4.56 0.00 3.51 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.38 4.06 0.00 2.38 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 L 7.83 4.03 0.00 1.96 1.77 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.76 3.77 2.49 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 1.22 0.00 0.00 0.90 0.00 0.00 11 L 8.44 4.34 0.00 1.86 1.81 0.93 1.04 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 12 H 8.19 4.18 0.00 3.34 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.79 3.73 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 1.18 0.00 0.00 1.19 0.00 0.00 14 W 8.56 3.92 0.00 3.61 3.15 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 15 A 7.97 4.01 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 16 K 7.78 3.95 0.00 1.48 1.62 0.00 1.62 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.40 7.81 17 V 7.20 2.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.26 0.00 0.00 18 E 7.57 3.80 0.00 2.00 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 2.13 0.00 19 A 7.41 4.18 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 20 D 7.89 4.67 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 3.43 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 1.06 0.00 0.00 0.84 0.00 0.00 22 A 7.96 4.04 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 23 G 8.37 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 24 H 8.40 4.19 0.00 3.33 3.26 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 8.35 3.58 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 0.00 0.00 0.00 26 Q 8.02 3.88 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 27 D 7.95 4.29 0.00 2.76 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 28 I 7.85 3.63 1.82 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 1.51 0.72 0.89 0.00 0.00 29 L 7.84 3.44 0.00 1.32 0.89 0.78 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.55 3.57 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.87 0.00 0.00 31 R 7.89 3.77 0.00 1.88 2.07 0.00 3.03 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 32 L 7.73 3.92 0.00 1.76 1.44 1.06 0.98 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 33 F 8.03 4.55 0.00 2.95 2.89 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 34 K 8.10 4.05 0.00 1.79 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.62 7.81 35 S 8.07 4.35 0.00 3.65 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 36 H 8.02 4.69 0.00 2.97 2.90 0.00 5.62 0.00 0.00 0.00 0.00 6.81 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 4.54 0.00 2.18 2.10 0.00 3.85 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 2.09 2.01 0.00 38 E 8.42 4.07 0.00 2.25 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 2.24 2.46 0.00 39 T 8.28 3.93 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 40 L 8.00 3.85 0.00 1.43 1.76 0.18 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.85 4.15 0.00 2.00 2.16 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 2.36 2.43 0.00 42 K 8.09 4.33 0.00 1.91 1.63 0.00 1.92 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 1.91 7.81 43 F 8.15 4.59 0.00 3.23 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 44 D 8.54 4.42 0.00 2.62 2.71 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 45 R 7.86 3.85 0.00 1.45 1.26 0.00 2.98 0.00 0.00 2.91 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.16 0.00 46 F 7.75 5.14 0.00 2.95 2.66 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 0.00 0.00 0.00 47 K 8.13 4.16 0.00 1.89 2.09 0.00 1.62 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.72 1.41 7.81 48 H 8.09 4.43 0.00 3.31 3.47 0.00 5.52 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 7.42 4.19 0.00 1.64 1.57 0.86 0.87 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 50 K 9.47 4.37 0.00 1.76 1.80 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.33 7.81 51 T 7.60 4.57 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 52 E 8.60 3.87 0.00 2.04 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 2.36 2.36 0.00 53 A 7.93 3.98 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 54 E 8.07 3.91 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 2.35 2.35 0.00 55 M 8.17 4.15 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.58 0.00 56 K 8.20 3.92 0.00 1.83 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.62 7.81 57 A 7.59 4.41 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 58 S 7.46 4.36 0.00 3.84 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 59 E 8.93 3.98 0.00 2.14 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 2.40 2.45 0.00 60 D 8.16 4.41 0.00 2.91 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 61 L 8.01 3.40 0.00 1.46 1.65 -0.15 0.61 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 62 K 7.93 3.86 0.00 1.87 1.98 0.00 1.99 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.26 3.93 0.00 2.03 2.13 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.62 4.49 0.00 3.73 3.58 0.00 5.84 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 8.34 3.58 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 0.00 0.00 0.00 66 V 7.72 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 1.13 0.00 0.00 1.00 0.00 0.00 67 T 7.90 3.88 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 1.30 0.00 0.00 68 V 7.95 3.63 2.20 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 1.09 0.00 0.00 0.94 0.00 0.00 69 L 8.13 4.24 0.00 1.81 1.91 0.92 0.82 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 70 T 8.36 3.95 4.33 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 1.26 0.00 0.00 71 A 7.99 4.01 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 72 L 8.05 3.70 0.00 1.62 1.73 0.22 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.33 3.29 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 0.00 74 A 7.70 3.99 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 75 I 7.47 3.78 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.91 0.00 0.00 76 L 7.71 3.95 0.00 1.21 1.59 -0.08 0.68 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 77 K 7.63 4.06 0.00 1.67 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.54 7.81 78 K 7.84 3.91 0.00 1.86 1.80 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.74 7.81 79 K 8.01 2.00 0.00 1.29 0.74 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.56 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.50 0.75 7.81 80 G 7.83 3.93 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 0.00 0.00 0.00 81 H 7.62 5.19 0.00 3.18 3.26 0.00 5.76 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.12 5.85 0.00 3.29 3.44 0.00 5.64 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 8.46 3.99 0.00 2.10 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 2.42 2.47 0.00 84 A 7.91 4.02 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 85 E 8.13 4.08 0.00 2.10 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 2.41 2.44 0.00 86 L 8.29 3.93 0.00 1.95 1.67 0.75 0.61 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 87 K 7.91 4.02 0.00 1.99 1.81 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.50 7.81 88 P 0.00 4.33 0.00 2.24 2.10 0.00 3.79 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 2.14 2.16 0.00 89 L 7.45 4.02 0.00 1.84 1.84 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.51 4.27 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 91 Q 8.04 3.94 0.00 2.28 2.15 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 2.38 2.43 0.00 92 S 8.30 4.08 0.00 3.93 4.12 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 93 H 8.60 4.38 0.00 3.57 3.61 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 8.08 2.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.43 3.95 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 1.09 0.00 0.00 96 K 7.32 4.07 0.00 1.54 1.61 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.17 1.32 7.81 97 H 8.10 4.25 0.00 2.99 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 7.44 3.10 0.00 1.80 1.72 0.00 1.24 0.00 0.00 1.41 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.27 7.81 99 I 8.03 4.26 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.95 1.18 0.00 0.00 100 P 0.00 4.61 0.00 1.78 1.83 0.00 2.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.77 0.00 101 I 8.47 3.64 1.78 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.77 0.00 0.00 102 K 7.85 3.71 0.00 1.71 1.64 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 0.66 7.81 103 Y 7.88 4.04 0.00 3.20 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 0.00 104 L 7.92 4.25 0.00 1.85 1.81 0.71 1.04 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 0.00 105 E 7.90 3.97 0.00 2.01 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 2.38 2.38 0.00 106 F 8.03 4.51 0.00 3.20 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 0.00 107 I 8.13 3.86 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 1.08 0.00 0.00 108 S 8.33 4.19 0.00 4.24 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 0.00 109 E 8.41 4.03 0.00 2.34 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 2.66 2.61 0.00 110 A 8.16 4.04 1.38 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 0.00 0.00 0.00 111 I 8.07 3.68 2.13 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 1.60 0.84 1.04 0.00 0.00 112 I 7.87 3.80 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.95 1.15 0.00 0.00 113 H 8.41 4.09 0.00 3.38 3.50 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 0.00 114 V 7.88 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 1.00 0.00 0.00 0.95 0.00 0.00 115 L 7.95 3.76 0.00 1.07 0.50 0.81 0.98 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 0.00 116 H 7.95 4.44 0.00 3.49 3.52 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.65 4.17 0.00 4.03 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 0.00 118 R 7.93 4.01 0.00 1.48 1.62 0.00 3.00 0.00 0.00 2.78 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 119 H 8.20 5.04 0.00 3.14 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.80 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 4.31 0.00 2.19 2.22 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.15 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.20 4.96 0.00 2.74 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 0.00 123 F 7.95 5.04 0.00 2.99 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 G 7.64 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 0.00 125 A 8.40 3.86 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 0.00 126 D 8.05 4.21 0.00 2.86 2.90 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 0.00 127 A 7.73 3.98 1.25 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 0.00 128 Q 7.79 3.43 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.00 1.69 0.00 129 G 8.25 3.44 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 0.00 130 A 7.78 3.86 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 8.17 4.00 0.00 2.51 2.44 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.84 0.00 132 N 8.37 4.30 0.00 2.94 2.89 0.00 0.00 7.27 6.69 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 0.00 133 K 8.05 3.85 0.00 1.85 1.67 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.46 7.81 134 A 7.91 3.90 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 0.00 135 L 8.24 4.06 0.00 1.74 1.80 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.48 4.02 0.00 2.15 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 2.34 2.43 0.00 137 L 8.14 3.98 0.00 1.87 1.94 0.98 0.96 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 0.00 138 F 8.24 4.11 0.00 2.99 3.22 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 0.00 139 R 8.19 3.57 0.00 2.04 1.86 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 140 K 8.33 3.80 0.00 1.81 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.13 4.32 0.00 2.77 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 0.00 142 I 7.50 3.52 1.28 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 0.96 -0.19 0.17 0.00 0.00 143 A 8.15 3.67 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 0.00 144 A 7.71 3.91 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 0.00 145 K 7.81 4.01 0.00 2.07 1.97 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.56 7.81 146 Y 8.34 4.25 0.00 3.07 3.15 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 0.00 147 K 8.35 3.89 0.00 1.91 1.98 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 7.88 3.91 0.00 2.15 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 0.00 2.35 2.39 0.00 149 L 7.80 4.21 0.00 1.70 1.70 0.92 1.03 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 0.00 150 G 7.92 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 0.00 151 Y 7.99 4.50 0.00 2.64 2.54 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 0.00 152 Q 6.62 2.94 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 1.29 1.16 0.00 153 G 7.89 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00