NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9190 8.3544 109.7357 45.2084 0.0000 172.9473 2 S 4.3732 8.2378 118.7399 56.5153 65.2725 170.9708 3 S 4.6839 8.3627 116.7754 56.8734 66.3398 171.8591 4 G 4.1345 7.7662 110.7741 45.3081 0.0000 171.7258 5 S 4.5821 8.0413 109.4733 58.3457 64.6218 174.8798 6 S 4.5932 8.9195 121.7715 59.9061 69.0317 174.3223 7 G 4.1985 8.2823 107.8253 45.1512 0.0000 173.3588 8 T 4.4925 8.1986 117.3170 61.9007 72.5410 174.2334 9 V 3.6673 8.1851 119.8182 62.2097 32.1454 174.0839 10 N 4.6636 8.0210 117.8075 53.4600 41.4548 172.8704 11 V 4.4865 8.0907 113.4133 59.5893 34.7784 175.0433 12 T 4.6688 8.0268 110.3361 60.5663 70.9503 173.6678 13 T 4.4638 7.9661 115.2408 61.6341 70.3165 173.0250 14 K 3.8118 8.6170 130.2306 55.2662 31.5617 175.2522 15 K 4.5368 8.2329 119.2323 56.5186 33.5257 176.2012 16 T 4.8578 8.1696 109.2849 59.4945 72.3766 171.9222 17 P 4.8358 0.0000 0.0000 61.7655 32.6292 174.5564 18 P 4.2723 0.0000 0.0000 64.2233 31.5082 178.4799 19 S 4.5728 8.1814 111.5390 59.0333 60.6701 168.5246 20 Q 4.2802 7.3596 121.3051 54.1856 29.0436 173.7180 21 P 4.5837 0.0000 0.0000 61.4770 32.3526 174.0497 22 P 4.4522 0.0000 0.0000 62.6777 31.9828 176.6499 23 G 3.9249 8.6350 112.1611 44.6567 0.0000 172.5315 24 N 4.2583 8.8126 113.7335 54.2958 37.2374 173.6805 25 V 4.2184 7.9503 116.3684 63.2078 30.5837 175.2344 26 V 4.7579 9.6235 121.6607 59.2167 34.8763 174.4606 27 W 5.7097 7.8526 118.3547 55.8106 31.9690 173.1609 28 N 4.5720 8.8132 114.4032 52.7604 43.3137 174.0662 29 A 5.1829 8.5316 121.5461 50.8770 21.7444 175.5061 30 T 4.5840 8.6086 115.5827 60.9110 71.9178 176.3613 31 D 4.3597 9.2280 124.3783 55.3319 40.5501 175.3133 32 T 4.8432 8.3670 113.0674 59.9854 68.9579 174.5084 33 K 4.6986 8.8668 120.7059 57.0361 37.4935 175.1614 34 V 4.9715 8.7059 119.6124 60.0927 33.7786 174.6761 35 L 4.7941 8.6166 129.5644 54.3475 42.4940 176.1866 36 L 4.9364 9.0757 125.1993 53.8877 44.1954 175.8381 37 N 5.1426 9.7085 118.5888 51.9850 43.4021 173.5844 38 W 5.6278 7.8100 118.4438 55.6132 31.5147 174.1802 39 E 4.3595 9.4708 122.4548 56.8088 29.8986 175.9052 40 Q 4.8120 8.5202 118.0736 54.9398 31.2768 175.2895 41 V 4.4380 9.2930 119.9687 61.0026 33.5769 174.9246 42 K 4.5281 8.6641 126.2460 54.3256 33.9359 175.9235 43 A 4.2361 8.4268 127.0716 51.9194 18.9245 177.5598 44 M 4.3930 8.2122 120.0850 54.3499 33.6756 175.1165 45 E 4.0069 8.4195 120.1070 58.4446 30.2543 175.2556 46 N 4.9694 9.1590 126.9784 53.6847 38.3866 174.4020 47 E 4.2826 7.1659 114.2513 56.9875 30.4331 176.9642 48 S 4.6477 8.8798 118.9164 57.6844 63.7125 174.4912 49 E 4.2282 8.7504 122.5941 56.1077 30.8130 176.3812 50 V 4.0371 8.2280 120.7572 62.3765 31.8203 175.5557 51 T 4.3895 7.7126 116.8412 61.6312 70.0501 174.1774 52 G 4.1663 7.0946 108.1927 46.8419 0.0000 171.3793 53 Y 5.3467 8.4647 115.6776 56.5913 43.2296 174.8140 54 K 4.5594 10.0221 121.2793 54.8298 34.7805 176.0319 55 V 4.1634 8.4592 126.9102 61.9343 32.1502 175.1270 56 F 5.3508 10.5284 129.5008 55.8986 39.3514 174.1599 57 Y 5.1422 7.4278 122.6269 55.0221 40.5012 174.9199 58 R 4.4912 7.9642 117.5089 54.9205 33.3652 174.6382 59 T 4.7426 8.4953 117.8961 63.3473 69.5331 174.8748 60 S 3.8528 8.5707 117.5790 61.0433 62.5713 174.5735 61 S 4.3703 7.9591 112.7916 54.4458 65.9769 171.0816 62 Q 3.4509 8.0151 130.1582 55.8571 30.1035 173.4060 63 N 4.4955 8.5747 120.0860 55.0834 39.2664 175.1957 64 N 4.8925 7.6898 116.4728 50.8283 41.0129 174.9148 65 V 3.6990 8.3027 123.2139 62.0893 32.3959 175.7155 66 Q 4.3405 7.7080 121.2959 54.5593 31.2873 174.5422 67 V 4.1521 7.7848 119.8116 60.7683 34.2858 174.2523 68 L 4.8765 8.0732 129.0112 53.2674 44.8810 174.8615 69 N 5.0064 8.8259 123.6641 53.2365 40.0075 174.7019 70 T 4.5203 8.4881 116.7597 60.3347 70.8425 173.4218 71 N 5.0950 8.7220 130.8567 52.7294 39.3442 173.4791 72 K 4.4744 7.5782 114.9812 56.5685 35.8814 175.0661 73 T 3.7679 8.0970 107.3464 61.5538 69.8390 173.8438 74 S 4.1104 6.7622 115.6125 56.8505 66.7084 171.9120 75 A 4.5593 8.1586 119.6436 51.7810 23.2484 175.4397 76 E 5.0776 8.7281 117.9889 55.4601 33.1451 175.2698 77 L 4.6952 8.8096 125.0759 53.0393 45.3823 175.8232 78 V 4.5878 7.9891 112.4874 59.7308 33.3050 176.5289 79 L 4.0823 8.4196 123.2136 55.4592 40.8965 175.0628 80 P 3.6040 0.0000 0.0000 62.5516 31.7015 176.9652 81 I 3.9581 7.8909 125.3064 60.1781 35.7901 173.9719 82 K 3.8436 8.5240 126.8218 55.9304 31.8414 171.6983 83 E 3.7782 8.7707 126.9771 55.2924 29.3982 174.3028 84 D 4.7959 8.4650 121.8800 54.1784 41.1595 174.3414 85 Y 5.0201 8.6271 119.4393 56.0168 41.7787 174.3184 86 I 4.9276 9.0644 129.4627 59.5961 38.1895 174.4005 87 I 4.8314 7.9506 128.1197 59.6999 39.1919 174.8357 88 E 4.7701 9.7365 126.1217 54.6121 33.4602 174.6040 89 V 4.1547 8.2062 124.3299 61.3299 33.1272 174.4758 90 K 5.7228 9.3545 126.5323 53.6063 36.0087 174.9148 91 A 4.1531 8.6716 126.1961 50.8936 20.0035 175.9422 92 T 4.9473 8.2002 117.7944 61.2182 70.4853 173.6263 93 T 4.8038 9.2093 115.6209 60.3484 72.1695 173.6407 94 D 4.4193 9.0434 119.5980 56.5791 41.4633 177.5551 95 G 3.8139 8.4939 106.9769 45.8027 0.0000 174.6402 96 G 3.7349 6.8354 106.0377 45.4183 0.0000 170.9613 97 D 5.4519 8.2144 121.4873 54.3746 42.6558 176.4744 98 G 4.6507 7.7370 110.8531 44.8170 0.0000 174.5225 99 T 4.7153 8.5141 121.2458 61.5369 71.3684 172.1740 100 S 5.1860 8.2675 118.9409 56.7535 64.4289 175.6207 101 S 4.4770 8.5390 120.7467 58.1803 63.7518 172.7971 102 E 4.2996 8.0416 120.5329 55.5433 29.9250 176.0797 103 Q 4.1795 8.6487 121.6876 57.2478 28.9380 176.8106 104 I 4.2558 8.9632 123.4465 60.3298 39.3561 174.9542 105 R 4.4160 8.4886 126.0030 54.9042 31.5754 174.9871 106 I 3.7839 7.8515 128.4663 58.3481 39.0423 173.7437 107 P 4.7872 0.0000 0.0000 62.1300 32.3110 176.5724 108 R 4.0656 8.5628 118.6686 56.2709 29.8495 175.5331 109 I 3.8768 8.1599 119.8690 60.9811 37.4797 176.4170 110 T 4.0299 8.4741 115.7553 62.1381 68.7632 174.1947 111 S 4.5859 8.2204 115.5642 55.9111 62.5298 172.7395 112 S 4.7011 7.9346 121.7466 56.6078 65.8491 173.2609 113 G 3.8024 8.4643 113.0020 43.9929 0.0000 172.3146 114 P 4.4466 0.0000 0.0000 62.1908 32.4025 176.2219 115 S 3.5783 8.2546 109.8976 59.4040 60.9151 172.0479 116 S 4.5431 7.8909 125.7918 54.9956 61.9953 174.6971 117 G 3.9286 8.2027 112.0199 45.6318 0.0000 171.7946 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 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.24 4.37 0.00 3.87 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 3 S 8.36 4.68 0.00 3.79 3.65 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 4 G 7.77 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.04 4.58 0.00 3.77 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 6 S 8.92 4.59 0.00 3.84 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 7 G 8.28 4.20 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 0.00 8 T 8.20 4.49 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 V 8.19 3.67 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 0.61 0.00 0.00 0.93 0.00 0.00 10 N 8.02 4.66 0.00 2.61 2.65 0.00 0.00 6.79 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.09 4.49 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 0.78 0.00 0.00 0.93 0.00 0.00 12 T 8.03 4.67 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 13 T 7.97 4.46 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 14 K 8.62 3.81 0.00 1.94 1.79 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.44 7.81 15 K 8.23 4.54 0.00 1.64 1.78 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.44 7.81 16 T 8.17 4.86 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 17 P 0.00 4.84 0.00 2.08 2.09 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 18 P 0.00 4.27 0.00 2.26 2.35 0.00 3.71 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 2.07 1.98 0.00 19 S 8.18 4.57 0.00 4.06 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 20 Q 7.36 4.28 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 21 P 0.00 4.58 0.00 2.23 2.04 0.00 3.84 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 22 P 0.00 4.45 0.00 2.29 2.25 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.00 0.00 23 G 8.63 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.81 4.26 0.00 2.99 2.87 0.00 0.00 6.56 7.72 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 25 V 7.95 4.22 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 1.01 0.00 0.00 0.98 0.00 0.00 26 V 9.62 4.76 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 0.73 0.00 0.00 1.08 0.00 0.00 27 W 7.85 5.71 0.00 3.45 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 28 N 8.81 4.57 0.00 2.85 2.69 0.00 0.00 6.95 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.53 5.18 1.34 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 0.00 0.00 0.00 30 T 8.61 4.58 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 1.22 0.00 0.00 31 D 9.23 4.36 0.00 2.80 2.46 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 32 T 8.37 4.84 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 1.20 0.00 0.00 33 K 8.87 4.70 0.00 1.89 1.92 0.00 1.25 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.41 7.81 34 V 8.71 4.97 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 1.58 0.00 0.00 0.99 0.00 0.00 35 L 8.62 4.79 0.00 1.69 1.63 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 36 L 9.08 4.94 0.00 1.97 2.12 1.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.71 5.14 0.00 2.62 2.52 0.00 0.00 6.54 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 38 W 7.81 5.63 0.00 3.16 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 39 E 9.47 4.36 0.00 2.02 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 2.36 2.44 0.00 40 Q 8.52 4.81 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 41 V 9.29 4.44 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.22 0.00 0.00 42 K 8.66 4.53 0.00 1.79 1.73 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.45 7.81 43 A 8.43 4.24 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 44 M 8.21 4.39 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.48 0.00 45 E 8.42 4.01 0.00 1.93 1.87 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 2.30 2.31 0.00 46 N 9.16 4.97 0.00 2.88 3.08 0.00 0.00 7.13 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 47 E 7.17 4.28 0.00 2.11 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 2.36 2.36 0.00 48 S 8.88 4.65 0.00 3.85 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 49 E 8.75 4.23 0.00 1.98 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 2.27 2.31 0.00 50 V 8.23 4.04 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 0.22 0.00 0.00 0.85 0.00 0.00 51 T 7.71 4.39 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 1.24 0.00 0.00 52 G 7.09 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 53 Y 8.46 5.35 0.00 3.34 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 54 K 10.02 4.56 0.00 1.85 1.35 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.39 7.81 55 V 8.46 4.16 2.22 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 1.01 0.00 0.00 1.07 0.00 0.00 56 F 10.53 5.35 0.00 3.12 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 57 Y 7.43 5.14 0.00 2.61 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 58 R 7.96 4.49 0.00 1.78 1.86 0.00 2.70 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.62 0.00 59 T 8.50 4.74 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 1.31 0.00 0.00 60 S 8.57 3.85 0.00 4.17 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 0.00 61 S 7.96 4.37 0.00 3.80 3.71 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 62 Q 8.02 3.45 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 63 N 8.57 4.50 0.00 2.74 2.82 0.00 0.00 6.75 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.69 4.89 0.00 2.63 2.68 0.00 0.00 6.89 7.67 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 65 V 8.30 3.70 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 0.87 0.00 0.00 0.85 0.00 0.00 66 Q 7.71 4.34 0.00 1.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 67 V 7.78 4.15 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 0.47 0.00 0.00 -0.38 0.00 0.00 68 L 8.07 4.88 0.00 1.94 1.88 0.93 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 69 N 8.83 5.01 0.00 2.68 2.77 0.00 0.00 6.76 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.49 4.52 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 1.70 0.00 0.00 71 N 8.72 5.09 0.00 2.76 2.81 0.00 0.00 7.07 6.71 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 72 K 7.58 4.47 0.00 1.78 1.74 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.37 7.81 73 T 8.10 3.77 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 1.13 0.00 0.00 74 S 6.76 4.11 0.00 3.71 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.56 1.62 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 76 E 8.73 5.08 0.00 1.81 1.84 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 2.22 2.34 0.00 77 L 8.81 4.70 0.00 1.60 1.50 0.98 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.99 4.59 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 0.90 0.00 0.00 79 L 8.42 4.08 0.00 1.54 1.64 0.85 0.63 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 80 P 0.00 3.60 0.00 1.88 1.16 0.00 3.61 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 81 I 7.89 3.96 1.86 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 1.39 0.39 0.90 0.00 0.00 82 K 8.52 3.84 0.00 1.89 1.83 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.49 7.81 83 E 8.77 3.78 0.00 2.16 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 2.23 2.29 0.00 84 D 8.46 4.80 0.00 2.72 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 85 Y 8.63 5.02 0.00 3.00 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 86 I 9.06 4.93 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.70 0.87 0.00 0.00 87 I 7.95 4.83 1.83 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.95 0.00 0.00 88 E 9.74 4.77 0.00 1.82 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 2.14 2.27 0.00 89 V 8.21 4.15 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.37 0.00 0.00 0.02 0.00 0.00 90 K 9.35 5.72 0.00 2.19 1.80 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.27 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.49 1.05 7.81 91 A 8.67 4.15 1.16 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 0.00 0.00 92 T 8.20 4.95 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 93 T 9.21 4.80 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 1.21 0.00 0.00 94 D 9.04 4.42 0.00 2.65 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 95 G 8.49 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 96 G 6.84 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 97 D 8.21 5.45 0.00 2.69 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 98 G 7.74 4.65 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 0.00 0.00 0.00 99 T 8.51 4.72 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 1.19 0.00 0.00 100 S 8.27 5.19 0.00 3.75 3.64 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 0.00 101 S 8.54 4.48 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 0.00 102 E 8.04 4.30 0.00 1.97 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 2.31 2.24 0.00 103 Q 8.65 4.18 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 104 I 8.96 4.26 1.68 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 1.32 0.63 0.66 0.00 0.00 105 R 8.49 4.42 0.00 1.80 1.87 0.00 3.20 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 106 I 7.85 3.78 1.56 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.60 0.00 0.00 107 P 0.00 4.79 0.00 2.12 2.09 0.00 3.98 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 108 R 8.56 4.07 0.00 1.81 2.02 0.00 3.11 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 109 I 8.16 3.88 1.85 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 1.46 0.79 0.91 0.00 0.00 110 T 8.47 4.03 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 1.24 0.00 0.00 111 S 8.22 4.59 0.00 3.95 3.88 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 0.00 112 S 7.93 4.70 0.00 3.80 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 0.00 113 G 8.46 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.45 0.00 2.19 2.08 0.00 3.92 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 1.98 1.95 0.00 115 S 8.25 3.58 0.00 4.10 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 0.00 116 S 7.89 4.54 0.00 3.86 3.85 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 0.00 117 G 8.20 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