NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1402 8.0549 120.3178 61.4918 32.9328 174.3531 4 R 4.5059 8.4125 121.7858 54.9413 32.0886 173.9604 5 S 5.8436 8.6002 117.7735 56.2000 67.9892 172.3483 6 L 4.6110 8.2251 119.2918 54.6003 45.1585 173.2625 7 N 5.4839 8.7185 122.9462 52.7181 40.8457 173.5948 8 C 4.9121 8.4320 115.4061 58.0644 33.6480 172.4592 9 T 5.1345 8.5078 109.3767 59.9400 71.7465 172.8185 10 L 5.4155 8.5513 121.2137 53.0947 45.0776 176.0220 11 R 4.9850 9.0763 121.8251 54.5003 33.8129 174.4790 12 D 4.5448 8.9491 125.9583 52.7236 40.9108 176.8907 13 S 4.2983 8.3709 112.4765 59.4186 62.9751 174.5721 14 Q 4.3827 8.1909 120.7215 55.8789 28.9796 175.3573 15 Q 3.7805 8.2096 113.3295 56.5991 26.8531 173.4507 16 K 4.2810 7.9256 117.5592 56.3657 33.5689 176.5245 17 S 5.0479 8.9694 120.1303 57.5258 65.4662 172.9926 18 L 5.3227 8.3328 121.0006 53.4899 44.6464 175.9666 19 V 4.7027 8.6654 114.6102 60.0114 36.9801 174.3557 20 M 4.5699 8.4299 122.2499 55.0852 31.0209 176.3777 21 S 4.2819 8.3653 121.6556 59.0750 62.4351 176.5457 22 G 4.4556 7.3703 111.9534 43.7295 0.0000 171.2862 23 P 4.3468 0.0000 0.0000 65.3316 31.4770 176.5910 24 Y 4.8498 7.5273 114.6394 57.2678 39.2096 174.6185 25 E 4.9405 8.0577 117.8645 54.6956 34.3798 174.3243 26 L 5.3074 8.5370 120.9029 53.0889 45.2762 175.6175 27 K 5.2342 9.3970 120.5222 54.6128 37.0262 174.8921 28 A 5.3795 8.6443 123.7366 50.1820 21.7334 175.3848 29 L 4.9446 8.6063 121.4206 54.3245 44.6737 174.9856 30 H 4.6218 8.7991 118.1251 55.6516 28.9471 174.9461 31 L 4.8270 8.4438 124.6029 53.3462 45.1503 174.9694 32 Q 4.4918 8.5049 123.7568 55.7252 32.5259 174.8532 33 G 3.8577 8.6267 107.9662 44.4822 0.0000 173.7279 34 Q 4.2007 8.5485 116.0729 57.9727 28.8082 176.9606 35 D 4.4447 7.9302 120.0799 56.8304 41.2762 177.0802 36 M 4.1589 8.0520 118.8762 58.2157 31.9277 177.6319 37 E 4.0414 7.8692 117.4567 58.9434 29.6083 177.5133 38 Q 4.2827 7.6278 116.3019 56.1154 28.7184 175.2336 39 Q 4.3608 7.4727 120.5967 55.5830 29.7235 175.6121 40 V 3.5565 8.1130 126.0312 62.8452 32.4188 175.1698 41 V 4.2902 8.0105 127.3708 61.4705 33.2611 174.8699 42 F 4.7000 9.0828 127.2731 56.5178 41.5876 175.1279 43 S 4.5763 8.9745 116.2557 56.9230 64.0620 172.5271 44 M 4.5841 9.0396 129.3176 54.8860 33.2061 174.8591 45 S 5.1541 8.7762 122.9839 57.0063 65.6847 173.8354 46 F 4.6159 9.1663 123.9787 56.8857 38.9057 175.7308 47 V 4.4289 7.8047 117.8522 59.6377 34.0183 175.5375 48 Q 4.2658 8.9706 123.0656 55.4668 29.7743 177.0347 49 G 3.8220 7.8099 109.4142 46.0381 0.0000 170.7194 50 E 4.3592 8.4251 121.2637 55.2574 29.8582 175.5532 51 E 4.9688 8.5823 121.6785 54.4814 32.0221 174.6490 52 S 4.7603 8.7791 114.2326 56.3727 66.0371 174.6007 53 N 4.6261 8.7510 118.8608 56.2261 38.6201 176.3964 54 D 4.6127 8.1430 117.3904 55.6750 42.7566 176.6378 55 K 4.9923 7.7530 119.0745 54.5962 34.7491 175.6603 56 I 4.9630 8.7084 126.6059 58.4793 40.0451 173.3298 57 P 4.9541 0.0000 0.0000 63.0886 32.4573 175.8743 58 V 4.6755 9.3825 116.2901 59.5742 36.8210 173.8757 59 A 5.4486 8.6965 122.8221 49.3821 22.2495 175.5108 60 L 4.7286 8.9721 121.5286 53.2200 44.0707 175.8725 61 G 3.5907 8.6053 111.1721 43.6445 0.0000 170.7463 62 L 4.3156 7.9987 120.1516 53.5980 42.3254 178.5937 63 K 3.7951 8.5959 125.4827 57.8179 32.2405 178.6395 64 E 3.9461 8.5429 115.9658 56.4397 28.3530 174.2216 65 K 4.5333 7.5364 117.3773 54.2785 35.7476 176.7282 66 N 4.8410 8.4429 122.0514 52.5860 35.7501 174.5503 67 L 5.1876 7.2403 118.7095 53.8880 46.2634 177.0403 68 Y 5.0780 9.1990 120.8276 55.8725 42.1949 174.9328 69 L 4.9713 8.8533 123.2933 55.0998 42.5370 176.6473 70 S 4.9531 9.4469 116.7223 57.2327 67.0843 172.3459 71 C 5.4064 8.7404 119.1618 58.3194 30.0136 173.9749 72 V 4.7154 8.7357 116.0873 59.5196 36.2808 174.5655 73 L 4.4399 8.4812 122.4663 54.6382 42.3077 177.4757 74 K 4.2166 8.6328 122.1861 55.8651 34.4775 176.1039 75 D 4.8562 8.8934 125.8589 55.8002 37.4027 174.0683 76 D 4.4523 8.3541 112.6277 54.8831 38.7248 174.0357 77 K 4.4052 7.2077 115.9764 53.9799 36.9858 174.1905 78 P 3.7600 0.0000 0.0000 62.6509 31.7268 176.0108 79 T 4.7090 8.3967 119.6958 61.6883 73.1279 172.6245 80 L 5.0132 8.6895 127.4921 54.5167 43.3176 175.4191 81 Q 4.7657 9.4184 123.3885 55.0135 32.9761 173.0298 82 L 5.2043 8.6106 119.0061 53.3154 43.4329 175.9745 83 E 4.9980 9.6625 123.8473 54.5457 33.3001 174.8420 84 S 5.1411 8.9399 121.0924 58.4430 64.1172 173.7160 85 V 4.5403 8.0400 115.1373 59.1384 35.9708 174.9946 86 D 4.4543 8.7757 122.0729 53.8018 41.3561 175.5148 87 P 4.4797 0.0000 0.0000 64.9530 31.5295 177.2445 88 K 4.2674 8.0358 117.3352 57.7564 32.5020 177.1800 89 N 4.6040 7.9047 114.1540 53.4061 39.1523 174.4233 90 Y 4.6523 7.5670 115.0586 55.0604 41.4069 173.3628 91 P 4.7627 0.0000 0.0000 62.3521 32.6142 175.1055 92 K 4.6142 8.0202 119.0485 54.9516 36.0820 177.6863 93 K 4.1084 8.7174 124.0939 57.4015 31.9229 177.9603 94 K 4.5312 7.6432 121.3970 52.9326 30.9972 176.6574 95 M 4.5139 7.9843 124.0224 53.4098 33.8372 176.0269 96 E 4.2006 8.8674 124.3858 56.2329 30.7672 177.9848 97 K 3.7786 8.8917 121.9271 59.7301 32.3846 179.3644 98 R 3.6928 7.7766 114.3121 58.4568 29.1057 177.7200 99 F 4.7333 7.9500 116.0985 57.6933 39.8463 174.9636 100 V 4.6397 7.2651 122.0677 61.5834 33.0938 174.6948 101 F 5.2633 9.3520 125.8423 55.7640 43.1048 173.8363 102 N 5.2497 9.6248 120.2470 51.7515 40.3602 174.1800 103 K 4.2822 9.3097 127.1606 55.6369 33.5704 175.3271 104 I 5.4800 8.4335 129.1761 58.8330 39.8184 174.5926 105 E 4.7310 8.7534 126.7028 55.5680 30.6198 177.0504 106 I 4.3591 8.8254 125.4753 60.6952 39.3516 173.7280 107 N 4.0323 9.1622 123.8692 54.2957 35.3712 175.6533 108 N 4.4742 8.1292 112.2532 53.4124 38.2045 174.7300 109 K 4.8980 7.5380 116.8508 54.5747 35.4013 175.2107 110 L 5.2697 8.7723 121.6693 53.1747 45.4036 175.4816 111 E 5.1468 8.7395 119.7326 54.7703 34.2078 174.8179 112 F 5.1984 9.1348 121.8678 56.0017 41.4346 173.6672 113 E 4.7481 9.1022 125.7565 54.2795 31.7415 175.0470 114 S 4.2906 9.3287 121.9806 58.2149 62.4841 174.1484 115 A 4.0130 8.3123 129.1498 54.9066 18.2043 178.7634 116 Q 3.6059 7.8170 115.6504 57.8575 29.4948 175.4014 117 F 4.6840 7.8692 117.3323 54.0370 39.5646 171.8081 118 P 4.4960 0.0000 0.0000 64.3111 31.6389 176.4325 119 N 4.2228 9.6806 118.4648 53.5544 36.8354 173.6001 120 W 4.7915 8.0211 119.3406 55.3403 31.1583 174.9624 121 Y 5.4038 8.9667 121.7380 55.7862 41.5957 175.1288 122 I 4.2795 8.8072 123.5000 61.9446 37.7021 175.9043 123 S 5.0907 9.2463 122.5828 56.9518 67.5858 172.8715 124 T 4.9593 8.9442 111.5251 60.0892 72.4120 172.6414 125 S 5.0255 8.6695 116.1340 57.0045 63.5862 173.8304 126 Q 4.0338 8.7898 124.7635 58.6347 29.2021 176.5994 127 A 4.4002 7.4034 119.6844 51.1285 18.0508 176.8976 128 E 4.1373 8.4884 119.0844 57.4263 30.1940 177.1957 129 N 4.3625 8.5993 117.0570 54.5719 37.0825 174.0821 130 M 4.7356 7.1664 116.3836 52.9406 34.6098 174.1601 131 P 4.9405 0.0000 0.0000 62.8069 32.4255 176.2310 132 V 4.3333 8.5950 123.5052 62.8831 32.5207 175.0362 133 F 5.1235 8.6612 121.3121 55.5022 42.3177 172.4910 134 L 5.0850 8.9252 121.1061 53.9016 42.7954 175.6151 135 G 4.4176 9.4079 114.0099 44.5755 0.0000 173.5510 136 G 2.7090 7.9756 109.9755 44.5740 0.0000 173.4788 137 T 4.4904 7.3793 116.2599 61.3499 71.2689 173.2752 138 K 4.2956 8.5672 125.2703 54.9861 34.2714 174.9787 139 G 3.4067 10.0315 111.2044 46.1475 0.0000 175.7979 140 G 3.6237 7.7385 110.0967 46.4560 0.0000 173.6742 141 Q 4.4937 7.8560 135.0000 56.7045 30.9022 174.3804 142 D 4.8471 8.8558 113.8198 53.7624 43.2393 175.7469 143 I 4.3408 8.5095 123.3977 60.6911 38.5281 176.3436 144 T 4.8822 8.4628 114.3836 61.0381 70.2021 173.0243 145 D 5.3153 7.6301 122.2638 51.8889 42.4558 175.0286 146 F 5.4592 9.2892 119.0819 56.0750 44.0668 173.4198 147 T 5.0586 9.2047 109.5780 60.2523 71.9832 172.6241 148 M 5.2238 8.6522 121.4091 53.9303 35.5032 174.5425 149 Q 4.7812 8.6343 122.7514 54.1019 32.5316 174.8389 150 F 4.9632 9.1913 122.1047 57.3691 40.0443 175.2954 151 V 4.6785 8.1674 114.7926 59.5427 35.4291 175.5733 152 S 4.4463 8.7109 116.7532 57.9820 63.3188 174.0872 153 S 4.3791 8.4848 118.0679 58.3941 62.2529 173.7724 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 V 8.05 4.14 2.15 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 0.96 0.00 0.00 1.04 0.00 0.00 4 R 8.41 4.51 0.00 2.03 2.02 0.00 3.08 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 5 S 8.60 5.84 0.00 3.78 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.23 4.61 0.00 2.08 1.77 1.25 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.72 5.48 0.00 2.73 2.72 0.00 0.00 6.68 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 8 C 8.43 4.91 0.00 2.84 2.76 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 0.00 0.00 0.00 0.00 9 T 8.51 5.13 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 10 L 8.55 5.42 0.00 1.39 1.48 -0.25 0.78 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 11 R 9.08 4.99 0.00 1.89 1.76 0.00 3.13 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 12 D 8.95 4.54 0.00 2.31 2.59 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 13 S 8.37 4.30 0.00 3.82 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 14 Q 8.19 4.38 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.39 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 15 Q 8.21 3.78 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 16 K 7.93 4.28 0.00 1.89 1.75 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.84 1.27 7.81 17 S 8.97 5.05 0.00 3.77 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 18 L 8.33 5.32 0.00 1.65 1.60 0.98 0.92 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 19 V 8.67 4.70 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 0.70 0.00 0.00 0.99 0.00 0.00 20 M 8.43 4.57 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 21 S 8.37 4.28 0.00 3.83 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 22 G 7.37 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 0.00 0.00 0.00 0.00 23 P 0.00 4.35 0.00 1.88 2.09 0.00 3.79 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 2.28 2.10 0.00 24 Y 7.53 4.85 0.00 3.04 2.94 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 25 E 8.06 4.94 0.00 1.90 1.82 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 2.35 2.38 0.00 26 L 8.54 5.31 0.00 1.65 1.57 0.87 1.12 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 27 K 9.40 5.23 0.00 1.62 1.67 0.00 1.62 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.39 7.81 28 A 8.64 5.38 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.61 4.94 0.00 1.86 1.73 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.80 4.62 0.00 3.11 3.32 0.00 5.79 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.44 4.83 0.00 1.69 1.49 0.96 0.71 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 Q 8.50 4.49 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.14 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 33 G 8.63 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.55 4.20 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 35 D 7.93 4.44 0.00 2.77 2.86 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 36 M 8.05 4.16 0.00 2.17 2.21 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 2.60 2.60 0.00 37 E 7.87 4.04 0.00 2.17 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 2.44 2.30 0.00 38 Q 7.63 4.28 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.65 2.23 0.00 39 Q 7.47 4.36 0.00 1.97 2.27 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 2.33 2.28 0.00 40 V 8.11 3.56 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 -0.15 0.00 0.00 0.75 0.00 0.00 41 V 8.01 4.29 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 1.00 0.00 0.00 0.88 0.00 0.00 42 F 9.08 4.70 0.00 2.98 2.83 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 43 S 8.97 4.58 0.00 3.79 3.70 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 44 M 9.04 4.58 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.92 0.00 45 S 8.78 5.15 0.00 3.85 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.17 4.62 0.00 3.01 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.80 4.43 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 0.72 0.00 0.00 0.98 0.00 0.00 48 Q 8.97 4.27 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 49 G 7.81 3.82 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 0.00 50 E 8.43 4.36 0.00 1.98 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 2.28 2.28 0.00 51 E 8.58 4.97 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 2.20 2.28 0.00 52 S 8.78 4.76 0.00 3.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.75 4.63 0.00 2.76 2.88 0.00 0.00 6.87 8.06 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 54 D 8.14 4.61 0.00 2.61 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 55 K 7.75 4.99 0.00 1.84 1.74 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.41 7.81 56 I 8.71 4.96 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.90 1.21 0.00 0.00 57 P 0.00 4.95 0.00 2.16 2.23 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.04 0.00 58 V 9.38 4.68 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 0.41 0.00 0.00 1.08 0.00 0.00 59 A 8.70 5.45 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 60 L 8.97 4.73 0.00 1.40 1.28 -0.25 0.35 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 61 G 8.61 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 62 L 8.00 4.32 0.00 1.36 1.30 0.70 0.57 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 63 K 8.60 3.80 0.00 1.73 1.73 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.58 7.81 64 E 8.54 3.95 0.00 2.09 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 2.17 2.35 0.00 65 K 7.54 4.53 0.00 1.55 1.53 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.21 7.81 66 N 8.44 4.84 0.00 2.95 3.03 0.00 0.00 6.02 6.67 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 67 L 7.24 5.19 0.00 1.39 1.46 0.69 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 9.20 5.08 0.00 2.85 2.94 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 69 L 8.85 4.97 0.00 1.69 1.81 1.13 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.45 4.95 0.00 3.49 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 71 C 8.74 5.41 0.00 2.82 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 V 8.74 4.72 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 0.71 0.00 0.00 0.95 0.00 0.00 73 L 8.48 4.44 0.00 1.49 1.50 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.63 4.22 0.00 1.67 1.64 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.35 7.81 75 D 8.89 4.86 0.00 2.80 2.78 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 76 D 8.35 4.45 0.00 2.79 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 77 K 7.21 4.41 0.00 1.33 1.30 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.38 7.81 78 P 0.00 3.76 0.00 0.49 0.49 0.00 2.20 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.46 0.00 79 T 8.40 4.71 4.31 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 1.23 0.00 0.00 80 L 8.69 5.01 0.00 1.78 1.69 1.13 0.74 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 81 Q 9.42 4.77 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 82 L 8.61 5.20 0.00 1.77 1.74 0.84 0.83 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 83 E 9.66 5.00 0.00 2.12 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 2.36 2.35 0.00 84 S 8.94 5.14 0.00 3.93 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 85 V 8.04 4.54 1.07 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 0.12 0.00 0.00 0.63 0.00 0.00 86 D 8.78 4.45 0.00 2.82 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 87 P 0.00 4.48 0.00 2.25 2.21 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 88 K 8.04 4.27 0.00 1.95 1.91 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.43 7.81 89 N 7.90 4.60 0.00 2.56 2.45 0.00 0.00 6.77 8.08 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 90 Y 7.57 4.65 0.00 2.91 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 91 P 0.00 4.76 0.00 2.25 2.27 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 92 K 8.02 4.61 0.00 1.57 1.57 0.00 1.54 0.00 0.00 1.56 0.00 0.00 2.72 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.00 0.74 7.81 93 K 8.72 4.11 0.00 1.68 1.81 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.00 7.81 94 K 7.64 4.53 0.00 1.75 1.64 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 0.96 7.81 95 M 7.98 4.51 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 96 E 8.87 4.20 0.00 2.36 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 2.55 2.49 0.00 97 K 8.89 3.78 0.00 1.65 1.86 0.00 1.51 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.29 7.81 98 R 7.78 3.69 0.00 1.85 1.92 0.00 2.59 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 99 F 7.95 4.73 0.00 3.32 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 0.00 100 V 7.27 4.64 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 0.94 0.00 0.00 0.97 0.00 0.00 101 F 9.35 5.26 0.00 3.20 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 0.00 102 N 9.62 5.25 0.00 2.66 2.78 0.00 0.00 6.78 5.12 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 0.00 103 K 9.31 4.28 0.00 1.80 1.82 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 0.84 7.81 104 I 8.43 5.48 1.87 0.00 0.00 1.00 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 0.37 0.93 0.00 0.00 105 E 8.75 4.73 0.00 1.85 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 2.28 2.33 0.00 106 I 8.83 4.36 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.51 0.88 0.00 0.00 107 N 9.16 4.03 0.00 2.95 2.82 0.00 0.00 7.05 6.92 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 0.00 108 N 8.13 4.47 0.00 2.88 3.00 0.00 0.00 7.10 7.61 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 0.00 109 K 7.54 4.90 0.00 1.79 1.67 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.38 7.81 110 L 8.77 5.27 0.00 1.52 1.12 0.96 1.16 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 0.00 111 E 8.74 5.15 0.00 1.91 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 2.30 2.22 0.00 112 F 9.13 5.20 0.00 2.94 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 0.00 113 E 9.10 4.75 0.00 2.03 1.80 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 2.06 1.60 0.00 114 S 9.33 4.29 0.00 3.99 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 0.00 115 A 8.31 4.01 1.18 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 0.00 0.00 116 Q 7.82 3.61 0.00 1.59 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.00 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 117 F 7.87 4.68 0.00 3.07 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.50 0.00 2.12 2.05 0.00 3.87 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 2.07 2.12 0.00 119 N 9.68 4.22 0.00 2.91 3.02 0.00 0.00 6.93 8.12 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 0.00 120 W 8.02 4.79 0.00 3.53 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Y 8.97 5.40 0.00 3.00 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 0.00 122 I 8.81 4.28 1.80 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.38 0.66 0.00 0.00 123 S 9.25 5.09 0.00 2.72 3.37 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 0.00 124 T 8.94 4.96 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 1.37 0.00 0.00 125 S 8.67 5.03 0.00 4.06 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 0.00 126 Q 8.79 4.03 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 127 A 7.40 4.40 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 E 8.49 4.14 0.00 2.04 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 2.45 2.31 0.00 129 N 8.60 4.36 0.00 2.91 2.92 0.00 0.00 6.87 7.02 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 0.00 130 M 7.17 4.74 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.86 0.00 131 P 0.00 4.94 0.00 2.05 2.16 0.00 3.70 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 2.06 2.13 0.00 132 V 8.60 4.33 2.15 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 0.74 0.00 0.00 1.01 0.00 0.00 133 F 8.66 5.12 0.00 3.23 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 0.00 134 L 8.93 5.08 0.00 1.91 1.86 1.21 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.41 4.42 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 0.00 136 G 7.98 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 0.00 0.00 0.00 137 T 7.38 4.49 4.18 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 1.16 0.00 0.00 138 K 8.57 4.30 0.00 1.56 1.51 0.00 0.61 0.00 0.00 1.28 0.00 0.00 2.72 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.78 0.94 7.81 139 G 10.03 3.41 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 0.00 140 G 7.74 3.62 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 0.00 0.00 0.00 141 Q 7.86 4.49 0.00 2.14 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.92 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 142 D 8.86 4.85 0.00 2.82 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 0.00 143 I 8.51 4.34 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.60 0.00 0.00 144 T 8.46 4.88 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 1.12 0.00 0.00 145 D 7.63 5.32 0.00 2.67 2.76 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 0.00 0.00 0.00 0.00 146 F 9.29 5.46 0.00 3.21 3.09 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 0.00 147 T 9.20 5.06 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 1.24 0.00 0.00 148 M 8.65 5.22 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 149 Q 8.63 4.78 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 150 F 9.19 4.96 0.00 2.90 3.08 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 0.00 151 V 8.17 4.68 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 0.74 0.00 0.00 0.95 0.00 0.00 152 S 8.71 4.45 0.00 3.86 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 0.00 153 S 8.48 4.38 0.00 3.89 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